NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4847 | 1fvn | 4862 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H TYR 1 H TYR 1 -6.188 9.384 -11.626 2 HA TYR 1 HA TYR 1 -3.250 9.313 -11.463 3 1HB TYR 1 HB1 TYR 1 -5.002 8.379 -13.796 4 2HB TYR 1 HB2 TYR 1 -3.342 7.924 -13.472 5 HD1 TYR 1 HD1 TYR 1 -6.847 7.197 -12.791 6 HD2 TYR 1 HD2 TYR 1 -2.822 6.281 -11.667 7 HE1 TYR 1 HE1 TYR 1 -7.647 5.087 -11.619 8 HE2 TYR 1 HE2 TYR 1 -3.635 4.174 -10.499 9 HH TYR 1 HH TYR 1 -5.321 2.851 -10.147 10 HA PRO 2 HA PRO 2 -4.688 13.091 -13.583 11 1HB PRO 2 HB1 PRO 2 -3.592 14.951 -11.907 12 2HB PRO 2 HB2 PRO 2 -5.258 14.422 -11.792 13 1HG PRO 2 HG1 PRO 2 -2.968 13.723 -10.059 14 2HG PRO 2 HG2 PRO 2 -4.682 13.562 -9.731 15 1HD PRO 2 HD1 PRO 2 -2.867 11.459 -10.447 16 2HD PRO 2 HD2 PRO 2 -4.601 11.320 -10.232 17 H SER 3 H SER 3 -3.140 15.239 -13.995 18 HA SER 3 HA SER 3 -1.360 15.912 -15.037 19 1HB SER 3 HB1 SER 3 0.304 13.595 -14.029 20 2HB SER 3 HB2 SER 3 0.792 15.255 -14.303 21 HG SER 3 HG SER 3 -0.091 14.125 -12.003 22 H LYS 4 H LYS 4 -2.576 15.210 -17.012 23 HA LYS 4 HA LYS 4 -1.911 12.678 -18.159 24 1HB LYS 4 HB1 LYS 4 -3.148 14.860 -19.776 25 2HB LYS 4 HB2 LYS 4 -3.523 13.149 -19.719 26 1HG LYS 4 HG1 LYS 4 -4.285 13.676 -17.229 27 2HG LYS 4 HG2 LYS 4 -4.363 15.333 -17.794 28 1HD LYS 4 HD1 LYS 4 -6.531 14.630 -18.287 29 2HD LYS 4 HD2 LYS 4 -5.742 14.287 -19.814 30 1HE LYS 4 HE1 LYS 4 -5.654 12.109 -17.747 31 2HE LYS 4 HE2 LYS 4 -7.218 12.439 -18.464 32 1HZ LYS 4 HZ1 LYS 4 -5.325 12.410 -20.491 33 2HZ LYS 4 HZ2 LYS 4 -5.090 11.072 -19.585 34 3HZ LYS 4 HZ3 LYS 4 -6.554 11.363 -20.246 35 HA PRO 5 HA PRO 5 0.790 15.517 -20.808 36 1HB PRO 5 HB1 PRO 5 1.242 18.094 -20.018 37 2HB PRO 5 HB2 PRO 5 0.019 17.652 -21.193 38 1HG PRO 5 HG1 PRO 5 -0.327 18.443 -18.366 39 2HG PRO 5 HG2 PRO 5 -1.518 18.413 -19.651 40 1HD PRO 5 HD1 PRO 5 -1.233 16.503 -17.530 41 2HD PRO 5 HD2 PRO 5 -2.347 16.412 -18.879 42 H ASP 6 H ASP 6 2.280 13.982 -20.093 43 HA ASP 6 HA ASP 6 4.049 13.286 -19.042 44 1HB ASP 6 HB1 ASP 6 4.606 16.269 -19.184 45 2HB ASP 6 HB2 ASP 6 5.770 15.191 -18.441 46 H ASN 7 H ASN 7 3.220 12.466 -17.044 47 HA ASN 7 HA ASN 7 2.454 14.189 -14.968 48 1HB ASN 7 HB1 ASN 7 2.456 12.013 -13.609 49 2HB ASN 7 HB2 ASN 7 1.471 11.972 -15.058 50 1HD2 ASN 7 HD2 ASN 7 2.167 10.855 -16.886 51 2HD2 ASN 7 HD2 ASN 7 3.381 9.621 -16.825 52 HA PRO 8 HA PRO 8 6.332 14.594 -12.959 53 1HB PRO 8 HB1 PRO 8 5.639 14.828 -10.326 54 2HB PRO 8 HB2 PRO 8 5.517 16.150 -11.470 55 1HG PRO 8 HG1 PRO 8 3.359 14.484 -10.327 56 2HG PRO 8 HG2 PRO 8 3.240 16.044 -11.116 57 1HD PRO 8 HD1 PRO 8 2.577 13.493 -12.248 58 2HD PRO 8 HD2 PRO 8 2.569 15.040 -13.072 59 H GLY 9 H GLY 9 7.454 13.828 -10.614 60 1HA GLY 9 HA1 GLY 9 6.974 11.199 -9.851 61 2HA GLY 9 HA2 GLY 9 8.095 11.132 -11.197 62 H GLU 10 H GLU 10 7.707 13.571 -8.531 63 HA GLU 10 HA GLU 10 10.485 12.986 -7.853 64 1HB GLU 10 HB1 GLU 10 9.237 15.653 -7.211 65 2HB GLU 10 HB2 GLU 10 10.917 15.264 -7.520 66 1HG GLU 10 HG1 GLU 10 9.757 14.570 -9.936 67 2HG GLU 10 HG2 GLU 10 8.737 15.908 -9.445 68 H ASP 11 H ASP 11 7.288 14.145 -6.595 69 HA ASP 11 HA ASP 11 7.222 12.418 -4.500 70 1HB ASP 11 HB1 ASP 11 9.206 14.255 -3.951 71 2HB ASP 11 HB2 ASP 11 7.822 15.057 -3.234 72 H ALA 12 H ALA 12 4.979 12.420 -4.290 73 HA ALA 12 HA ALA 12 3.525 14.589 -3.396 74 1HB ALA 12 HB1 ALA 12 3.652 14.301 -6.406 75 2HB ALA 12 HB2 ALA 12 2.207 14.967 -5.607 76 3HB ALA 12 HB3 ALA 12 3.782 15.774 -5.415 77 HA PRO 13 HA PRO 13 0.730 11.313 -3.010 78 1HB PRO 13 HB1 PRO 13 -1.655 12.594 -2.634 79 2HB PRO 13 HB2 PRO 13 -0.461 12.400 -1.366 80 1HG PRO 13 HG1 PRO 13 -1.132 14.820 -2.926 81 2HG PRO 13 HG2 PRO 13 -0.274 14.699 -1.403 82 1HD PRO 13 HD1 PRO 13 0.877 15.164 -3.989 83 2HD PRO 13 HD2 PRO 13 1.742 14.927 -2.483 84 H ALA 14 H ALA 14 -1.272 10.178 -3.807 85 HA ALA 14 HA ALA 14 -2.668 9.645 -5.478 86 1HB ALA 14 HB1 ALA 14 -2.586 12.261 -5.912 87 2HB ALA 14 HB2 ALA 14 -1.606 11.777 -7.316 88 3HB ALA 14 HB3 ALA 14 -3.264 11.158 -7.133 89 H GLU 15 H GLU 15 0.565 10.833 -6.629 90 HA GLU 15 HA GLU 15 0.706 8.570 -8.392 91 1HB GLU 15 HB1 GLU 15 1.548 11.058 -8.781 92 2HB GLU 15 HB2 GLU 15 2.982 10.506 -7.938 93 1HG GLU 15 HG1 GLU 15 2.124 8.556 -9.962 94 2HG GLU 15 HG2 GLU 15 2.384 10.135 -10.675 95 H ASP 16 H ASP 16 1.198 9.058 -5.128 96 HA ASP 16 HA ASP 16 3.487 7.261 -5.079 97 1HB ASP 16 HB1 ASP 16 3.736 9.404 -3.831 98 2HB ASP 16 HB2 ASP 16 2.294 9.044 -2.903 99 H LEU 17 H LEU 17 0.063 7.711 -4.396 100 HA LEU 17 HA LEU 17 -0.204 5.686 -2.436 101 1HB LEU 17 HB1 LEU 17 -1.762 7.712 -3.461 102 2HB LEU 17 HB2 LEU 17 -2.547 6.276 -4.089 103 HG LEU 17 HG LEU 17 -2.083 5.668 -1.401 104 1HD1 LEU 17 HD1 LEU 17 -3.554 8.130 -1.003 105 2HD1 LEU 17 HD1 LEU 17 -2.143 7.487 -0.128 106 3HD1 LEU 17 HD1 LEU 17 -1.910 8.454 -1.605 107 1HD2 LEU 17 HD2 LEU 17 -4.628 6.750 -2.639 108 2HD2 LEU 17 HD2 LEU 17 -4.040 5.078 -2.804 109 3HD2 LEU 17 HD2 LEU 17 -4.486 5.710 -1.201 110 H ALA 18 H ALA 18 0.208 5.718 -5.909 111 HA ALA 18 HA ALA 18 -1.113 3.340 -6.543 112 1HB ALA 18 HB1 ALA 18 1.400 4.038 -7.987 113 2HB ALA 18 HB2 ALA 18 -0.231 3.709 -8.620 114 3HB ALA 18 HB3 ALA 18 0.150 5.303 -7.926 115 H ARG 19 H ARG 19 2.316 4.018 -5.575 116 HA ARG 19 HA ARG 19 3.189 1.433 -5.801 117 1HB ARG 19 HB1 ARG 19 4.066 3.624 -3.852 118 2HB ARG 19 HB2 ARG 19 4.981 2.158 -4.145 119 1HG ARG 19 HG1 ARG 19 4.242 3.504 -6.660 120 2HG ARG 19 HG2 ARG 19 5.160 4.560 -5.605 121 1HD ARG 19 HD1 ARG 19 7.068 3.195 -5.654 122 2HD ARG 19 HD2 ARG 19 6.150 1.731 -5.944 123 HE ARG 19 HE ARG 19 5.722 3.276 -8.231 124 1HH1 ARG 19 HH1 ARG 19 8.607 2.523 -10.044 125 2HH1 ARG 19 HH1 ARG 19 6.982 3.116 -10.131 126 1HH2 ARG 19 HH2 ARG 19 9.503 1.888 -7.999 127 2HH2 ARG 19 HH2 ARG 19 8.547 2.009 -6.560 128 H TYR 20 H TYR 20 1.050 2.922 -3.470 129 HA TYR 20 HA TYR 20 1.511 0.825 -1.497 130 1HB TYR 20 HB1 TYR 20 1.209 2.982 -0.503 131 2HB TYR 20 HB2 TYR 20 0.131 3.517 -1.777 132 HD1 TYR 20 HD1 TYR 20 -2.195 3.524 -1.440 133 HD2 TYR 20 HD2 TYR 20 0.292 1.214 1.164 134 HE1 TYR 20 HE1 TYR 20 -4.192 3.054 0.061 135 HE2 TYR 20 HE2 TYR 20 -1.713 0.752 2.657 136 HH TYR 20 HH TYR 20 -3.981 2.100 3.092 137 H TYR 21 H TYR 21 -0.411 1.431 -4.278 138 HA TYR 21 HA TYR 21 -2.618 -0.195 -3.255 139 1HB TYR 21 HB1 TYR 21 -2.117 1.979 -5.198 140 2HB TYR 21 HB2 TYR 21 -2.922 0.642 -5.996 141 HD1 TYR 21 HD1 TYR 21 -3.568 3.669 -4.582 142 HD2 TYR 21 HD2 TYR 21 -4.892 -0.387 -4.268 143 HE1 TYR 21 HE1 TYR 21 -5.804 4.462 -3.668 144 HE2 TYR 21 HE2 TYR 21 -7.123 0.419 -3.355 145 HH TYR 21 HH TYR 21 -7.616 3.282 -2.075 146 H SER 22 H SER 22 0.149 -0.201 -5.478 147 HA SER 22 HA SER 22 -0.796 -2.504 -6.862 148 1HB SER 22 HB1 SER 22 1.472 -0.619 -7.050 149 2HB SER 22 HB2 SER 22 1.932 -2.270 -7.413 150 HG SER 22 HG SER 22 1.231 -1.317 -9.348 151 H ALA 23 H ALA 23 1.335 -1.715 -4.113 152 HA ALA 23 HA ALA 23 2.409 -4.385 -3.980 153 1HB ALA 23 HB1 ALA 23 2.673 -2.525 -1.677 154 2HB ALA 23 HB2 ALA 23 3.916 -3.460 -2.542 155 3HB ALA 23 HB3 ALA 23 3.320 -1.928 -3.223 156 H LEU 24 H LEU 24 -0.382 -2.599 -2.838 157 HA LEU 24 HA LEU 24 -0.885 -4.057 -0.500 158 1HB LEU 24 HB1 LEU 24 -2.424 -2.500 -0.332 159 2HB LEU 24 HB2 LEU 24 -2.037 -1.942 -1.948 160 HG LEU 24 HG LEU 24 -4.390 -2.292 -1.836 161 1HD1 LEU 24 HD1 LEU 24 -2.721 -3.732 -3.644 162 2HD1 LEU 24 HD1 LEU 24 -4.167 -4.716 -3.313 163 3HD1 LEU 24 HD1 LEU 24 -4.342 -3.050 -3.917 164 1HD2 LEU 24 HD2 LEU 24 -5.343 -3.772 -0.490 165 2HD2 LEU 24 HD2 LEU 24 -4.636 -5.117 -1.417 166 3HD2 LEU 24 HD2 LEU 24 -3.733 -4.399 -0.061 167 H ARG 25 H ARG 25 -0.842 -5.006 -3.794 168 HA ARG 25 HA ARG 25 -2.893 -6.970 -3.465 169 1HB ARG 25 HB1 ARG 25 -2.048 -5.644 -5.656 170 2HB ARG 25 HB2 ARG 25 -0.949 -7.003 -5.781 171 1HG ARG 25 HG1 ARG 25 -2.605 -8.428 -6.440 172 2HG ARG 25 HG2 ARG 25 -3.694 -7.883 -5.180 173 1HD ARG 25 HD1 ARG 25 -3.716 -5.675 -6.822 174 2HD ARG 25 HD2 ARG 25 -3.440 -6.937 -8.006 175 HE ARG 25 HE ARG 25 -5.912 -6.425 -6.637 176 1HH1 ARG 25 HH1 ARG 25 -7.399 -9.487 -7.405 177 2HH1 ARG 25 HH1 ARG 25 -7.672 -7.866 -6.861 178 1HH2 ARG 25 HH2 ARG 25 -5.247 -10.197 -7.906 179 2HH2 ARG 25 HH2 ARG 25 -3.913 -9.105 -7.736 180 H HIS 26 H HIS 26 0.686 -6.930 -4.150 181 HA HIS 26 HA HIS 26 1.017 -9.682 -3.892 182 1HB HIS 26 HB1 HIS 26 2.581 -7.481 -4.573 183 2HB HIS 26 HB2 HIS 26 3.346 -8.092 -3.120 184 HD1 HIS 26 HD1 HIS 26 5.237 -9.582 -3.752 185 HD2 HIS 26 HD2 HIS 26 1.948 -10.058 -6.311 186 HE1 HIS 26 HE1 HIS 26 5.882 -11.408 -5.413 187 H TYR 27 H TYR 27 0.512 -7.147 -1.538 188 HA TYR 27 HA TYR 27 1.691 -8.653 0.626 189 1HB TYR 27 HB1 TYR 27 1.823 -6.303 0.952 190 2HB TYR 27 HB2 TYR 27 0.360 -6.005 0.034 191 HD1 TYR 27 HD1 TYR 27 1.072 -8.013 3.132 192 HD2 TYR 27 HD2 TYR 27 -1.182 -4.856 1.327 193 HE1 TYR 27 HE1 TYR 27 -0.226 -7.693 5.295 194 HE2 TYR 27 HE2 TYR 27 -2.472 -4.546 3.495 195 HH TYR 27 HH TYR 27 -1.475 -5.618 6.352 196 H ILE 28 H ILE 28 -1.603 -7.691 -0.530 197 HA ILE 28 HA ILE 28 -2.860 -9.134 1.600 198 HB ILE 28 HB ILE 28 -3.859 -7.701 -0.854 199 1HG1 ILE 28 1HG1 ILE 28 -3.062 -6.192 0.814 200 2HG1 ILE 28 2HG1 ILE 28 -4.813 -6.161 0.863 201 1HG2 ILE 28 1HG2 ILE 28 -6.116 -8.094 -0.158 202 2HG2 ILE 28 2HG2 ILE 28 -5.301 -9.668 -0.316 203 3HG2 ILE 28 3HG2 ILE 28 -5.575 -8.966 1.297 204 1HD1 ILE 28 1HD1 ILE 28 -2.916 -7.538 2.800 205 2HD1 ILE 28 2HD1 ILE 28 -4.134 -6.288 3.149 206 3HD1 ILE 28 3HD1 ILE 28 -4.648 -7.941 2.737 207 H ASN 29 H ASN 29 -1.439 -9.912 -1.452 208 HA ASN 29 HA ASN 29 -3.076 -11.853 -2.405 209 1HB ASN 29 HB1 ASN 29 -1.086 -11.158 -3.639 210 2HB ASN 29 HB2 ASN 29 -0.025 -11.663 -2.339 211 1HD2 ASN 29 HD2 ASN 29 1.103 -12.920 -3.873 212 2HD2 ASN 29 HD2 ASN 29 0.533 -14.475 -4.379 213 H LEU 30 H LEU 30 -1.021 -11.776 0.470 214 HA LEU 30 HA LEU 30 -0.824 -14.599 0.792 215 1HB LEU 30 HB1 LEU 30 -0.280 -12.235 2.581 216 2HB LEU 30 HB2 LEU 30 -0.096 -13.891 3.125 217 HG LEU 30 HG LEU 30 1.509 -12.379 1.082 218 1HD1 LEU 30 HD1 LEU 30 2.845 -12.240 2.858 219 2HD1 LEU 30 HD1 LEU 30 1.907 -13.453 3.762 220 3HD1 LEU 30 HD1 LEU 30 3.171 -13.974 2.624 221 1HD2 LEU 30 HD2 LEU 30 1.257 -15.387 1.279 222 2HD2 LEU 30 HD2 LEU 30 0.973 -14.351 -0.139 223 3HD2 LEU 30 HD2 LEU 30 2.623 -14.555 0.497 224 H ALA 31 H ALA 31 -3.337 -12.275 1.188 225 HA ALA 31 HA ALA 31 -5.138 -14.236 2.093 226 1HB ALA 31 HB1 ALA 31 -5.477 -13.689 4.334 227 2HB ALA 31 HB2 ALA 31 -3.708 -13.543 4.197 228 3HB ALA 31 HB3 ALA 31 -4.727 -12.084 4.164 229 1HN AIB 32 1HN AIB 32 -6.661 -13.591 0.624 230 1HB1 AIB 32 1HB1 AIB 32 -7.462 -11.484 -1.944 231 2HB1 AIB 32 2HB1 AIB 32 -5.886 -11.329 -1.122 232 3HB1 AIB 32 3HB1 AIB 32 -7.045 -9.989 -1.059 233 1HB2 AIB 32 1HB2 AIB 32 -8.122 -11.018 2.258 234 2HB2 AIB 32 2HB2 AIB 32 -9.004 -10.174 0.974 235 3HB2 AIB 32 3HB2 AIB 32 -7.280 -9.807 1.252 236 H ARG 33 H ARG 33 -7.714 -14.161 -0.756 237 HA ARG 33 HA ARG 33 -10.620 -13.987 -0.823 238 1HB ARG 33 HB1 ARG 33 -9.133 -15.795 -2.736 239 2HB ARG 33 HB2 ARG 33 -10.690 -15.018 -2.943 240 1HG ARG 33 HG1 ARG 33 -9.286 -12.770 -2.874 241 2HG ARG 33 HG2 ARG 33 -7.924 -13.811 -3.236 242 1HD ARG 33 HD1 ARG 33 -8.713 -13.128 -5.379 243 2HD ARG 33 HD2 ARG 33 -9.350 -14.750 -5.192 244 HE ARG 33 HE ARG 33 -11.515 -13.866 -5.150 245 1HH1 ARG 33 HH1 ARG 33 -12.631 -10.567 -4.924 246 2HH1 ARG 33 HH1 ARG 33 -13.093 -12.214 -5.199 247 1HH2 ARG 33 HH2 ARG 33 -10.410 -10.039 -4.507 248 2HH2 ARG 33 HH2 ARG 33 -9.214 -11.292 -4.470 249 H GLN 34 H GLN 34 -7.665 -15.974 -0.369 250 HA GLN 34 HA GLN 34 -8.778 -18.418 0.007 251 1HB GLN 34 HB1 GLN 34 -6.263 -17.375 0.207 252 2HB GLN 34 HB2 GLN 34 -6.595 -17.655 1.904 253 1HG GLN 34 HG1 GLN 34 -7.483 -19.953 0.346 254 2HG GLN 34 HG2 GLN 34 -5.819 -19.579 -0.058 255 1HE2 GLN 34 1HE2 GLN 34 -6.828 -21.863 1.343 256 2HE2 GLN 34 2HE2 GLN 34 -6.110 -21.900 2.919 257 H ARG 35 H ARG 35 -9.060 -15.548 1.995 258 HA ARG 35 HA ARG 35 -9.956 -17.131 4.237 259 1HB ARG 35 HB1 ARG 35 -8.783 -14.478 3.877 260 2HB ARG 35 HB2 ARG 35 -10.277 -14.341 4.782 261 1HG ARG 35 HG1 ARG 35 -8.703 -16.631 5.719 262 2HG ARG 35 HG2 ARG 35 -7.753 -15.160 5.777 263 1HD ARG 35 HD1 ARG 35 -9.305 -14.068 7.237 264 2HD ARG 35 HD2 ARG 35 -10.592 -15.197 6.864 265 HE ARG 35 HE ARG 35 -8.545 -16.768 7.967 266 1HH1 ARG 35 HH1 ARG 35 -9.262 -16.358 11.358 267 2HH1 ARG 35 HH1 ARG 35 -8.457 -17.338 10.178 268 1HH2 ARG 35 HH2 ARG 35 -10.429 -14.465 10.692 269 2HH2 ARG 35 HH2 ARG 35 -10.495 -14.033 9.016 270 H TYR 36 H TYR 36 -11.483 -17.008 1.675 271 HA TYR 36 HA TYR 36 -13.994 -16.058 2.808 272 1HB TYR 36 HB1 TYR 36 -13.703 -14.194 1.412 273 2HB TYR 36 HB2 TYR 36 -12.399 -14.965 0.531 274 HD1 TYR 36 HD1 TYR 36 -12.748 -15.731 -1.660 275 HD2 TYR 36 HD2 TYR 36 -16.127 -14.969 0.851 276 HE1 TYR 36 HE1 TYR 36 -14.306 -16.091 -3.636 277 HE2 TYR 36 HE2 TYR 36 -17.674 -15.332 -1.134 278 HH TYR 36 HH TYR 36 -16.532 -15.425 -4.315 279 1HN NH2 37 HN1 NH2 237 -12.359 -17.551 0.009 280 2HN NH2 37 HN2 NH2 237 -13.507 -18.823 -0.240 Start of MODEL 2 1 H TYR 1 H TYR 1 7.700 1.082 -29.151 2 HA TYR 1 HA TYR 1 8.398 3.660 -27.997 3 1HB TYR 1 HB1 TYR 1 6.249 3.828 -28.929 4 2HB TYR 1 HB2 TYR 1 6.037 2.088 -28.936 5 HD1 TYR 1 HD1 TYR 1 4.747 0.999 -27.260 6 HD2 TYR 1 HD2 TYR 1 5.819 5.112 -26.780 7 HE1 TYR 1 HE1 TYR 1 3.148 1.193 -25.293 8 HE2 TYR 1 HE2 TYR 1 4.216 5.293 -24.815 9 HH TYR 1 HH TYR 1 2.006 2.714 -24.049 10 HA PRO 2 HA PRO 2 8.915 1.432 -24.210 11 1HB PRO 2 HB1 PRO 2 10.452 3.313 -22.957 12 2HB PRO 2 HB2 PRO 2 11.122 2.039 -23.955 13 1HG PRO 2 HG1 PRO 2 10.799 4.909 -24.583 14 2HG PRO 2 HG2 PRO 2 11.827 3.724 -25.364 15 1HD PRO 2 HD1 PRO 2 9.339 4.756 -26.352 16 2HD PRO 2 HD2 PRO 2 10.309 3.487 -27.074 17 H SER 3 H SER 3 8.620 4.945 -23.886 18 HA SER 3 HA SER 3 6.028 4.673 -22.833 19 1HB SER 3 HB1 SER 3 6.536 5.512 -20.527 20 2HB SER 3 HB2 SER 3 7.160 3.901 -20.822 21 HG SER 3 HG SER 3 9.269 4.835 -21.214 22 H LYS 4 H LYS 4 5.336 6.962 -21.851 23 HA LYS 4 HA LYS 4 5.872 8.865 -23.813 24 1HB LYS 4 HB1 LYS 4 4.060 9.782 -22.911 25 2HB LYS 4 HB2 LYS 4 4.066 8.518 -21.698 26 1HG LYS 4 HG1 LYS 4 5.532 9.886 -20.235 27 2HG LYS 4 HG2 LYS 4 5.629 11.133 -21.462 28 1HD LYS 4 HD1 LYS 4 2.896 10.261 -20.507 29 2HD LYS 4 HD2 LYS 4 3.853 11.297 -19.467 30 1HE LYS 4 HE1 LYS 4 3.783 13.106 -20.952 31 2HE LYS 4 HE2 LYS 4 3.633 12.083 -22.367 32 1HZ LYS 4 HZ1 LYS 4 1.476 12.416 -22.248 33 2HZ LYS 4 HZ2 LYS 4 1.406 11.628 -20.820 34 3HZ LYS 4 HZ3 LYS 4 1.603 13.248 -20.849 35 HA PRO 5 HA PRO 5 9.460 10.799 -22.399 36 1HB PRO 5 HB1 PRO 5 9.157 13.353 -23.322 37 2HB PRO 5 HB2 PRO 5 9.670 12.021 -24.339 38 1HG PRO 5 HG1 PRO 5 7.037 13.361 -24.227 39 2HG PRO 5 HG2 PRO 5 7.699 12.344 -25.492 40 1HD PRO 5 HD1 PRO 5 5.735 11.596 -23.540 41 2HD PRO 5 HD2 PRO 5 6.481 10.549 -24.730 42 H ASP 6 H ASP 6 8.861 10.373 -20.150 43 HA ASP 6 HA ASP 6 9.292 12.606 -18.658 44 1HB ASP 6 HB1 ASP 6 6.705 12.761 -19.598 45 2HB ASP 6 HB2 ASP 6 6.444 11.890 -18.100 46 H ASN 7 H ASN 7 9.997 11.751 -16.676 47 HA ASN 7 HA ASN 7 8.789 9.229 -15.869 48 1HB ASN 7 HB1 ASN 7 11.195 9.099 -16.924 49 2HB ASN 7 HB2 ASN 7 11.743 9.865 -15.446 50 1HD2 ASN 7 HD2 ASN 7 10.797 8.855 -13.394 51 2HD2 ASN 7 HD2 ASN 7 10.840 7.127 -13.285 52 HA PRO 8 HA PRO 8 8.708 12.184 -12.442 53 1HB PRO 8 HB1 PRO 8 6.242 11.508 -11.477 54 2HB PRO 8 HB2 PRO 8 6.494 12.776 -12.661 55 1HG PRO 8 HG1 PRO 8 5.414 10.054 -13.062 56 2HG PRO 8 HG2 PRO 8 5.282 11.453 -14.110 57 1HD PRO 8 HD1 PRO 8 7.025 9.202 -14.464 58 2HD PRO 8 HD2 PRO 8 6.974 10.654 -15.445 59 H GLY 9 H GLY 9 8.057 11.837 -9.973 60 1HA GLY 9 HA1 GLY 9 7.914 9.931 -8.405 61 2HA GLY 9 HA2 GLY 9 9.221 9.196 -9.313 62 H GLU 10 H GLU 10 8.420 12.335 -7.657 63 HA GLU 10 HA GLU 10 11.139 12.253 -6.608 64 1HB GLU 10 HB1 GLU 10 9.781 14.899 -7.107 65 2HB GLU 10 HB2 GLU 10 11.493 14.530 -7.042 66 1HG GLU 10 HG1 GLU 10 11.366 13.346 -9.207 67 2HG GLU 10 HG2 GLU 10 9.627 13.559 -9.257 68 H ASP 11 H ASP 11 9.282 11.009 -5.121 69 HA ASP 11 HA ASP 11 8.234 10.954 -3.222 70 1HB ASP 11 HB1 ASP 11 9.738 13.527 -2.556 71 2HB ASP 11 HB2 ASP 11 9.034 12.422 -1.393 72 H ALA 12 H ALA 12 6.033 11.391 -3.697 73 HA ALA 12 HA ALA 12 4.926 13.794 -2.784 74 1HB ALA 12 HB1 ALA 12 6.003 14.549 -4.977 75 2HB ALA 12 HB2 ALA 12 4.819 13.510 -5.806 76 3HB ALA 12 HB3 ALA 12 4.262 14.875 -4.809 77 HA PRO 13 HA PRO 13 1.504 11.153 -2.899 78 1HB PRO 13 HB1 PRO 13 -0.607 12.885 -2.809 79 2HB PRO 13 HB2 PRO 13 0.335 12.448 -1.397 80 1HG PRO 13 HG1 PRO 13 0.382 14.963 -2.951 81 2HG PRO 13 HG2 PRO 13 0.977 14.662 -1.330 82 1HD PRO 13 HD1 PRO 13 2.548 14.902 -3.719 83 2HD PRO 13 HD2 PRO 13 3.130 14.487 -2.118 84 H ALA 14 H ALA 14 -0.589 10.490 -3.990 85 HA ALA 14 HA ALA 14 -1.812 10.270 -5.856 86 1HB ALA 14 HB1 ALA 14 -0.139 12.007 -7.598 87 2HB ALA 14 HB2 ALA 14 -1.908 11.943 -7.405 88 3HB ALA 14 HB3 ALA 14 -0.913 12.814 -6.213 89 H GLU 15 H GLU 15 1.734 10.701 -6.509 90 HA GLU 15 HA GLU 15 1.630 8.473 -8.310 91 1HB GLU 15 HB1 GLU 15 3.163 10.755 -8.220 92 2HB GLU 15 HB2 GLU 15 4.273 9.595 -7.517 93 1HG GLU 15 HG1 GLU 15 4.713 8.727 -9.563 94 2HG GLU 15 HG2 GLU 15 3.020 8.330 -9.785 95 H ASP 16 H ASP 16 1.736 8.832 -4.979 96 HA ASP 16 HA ASP 16 3.522 6.565 -4.649 97 1HB ASP 16 HB1 ASP 16 2.341 8.554 -2.657 98 2HB ASP 16 HB2 ASP 16 3.294 7.167 -2.171 99 H LEU 17 H LEU 17 0.186 7.709 -4.520 100 HA LEU 17 HA LEU 17 -0.914 5.877 -2.744 101 1HB LEU 17 HB1 LEU 17 -1.813 8.004 -4.108 102 2HB LEU 17 HB2 LEU 17 -2.483 6.735 -5.114 103 HG LEU 17 HG LEU 17 -4.002 7.638 -3.323 104 1HD1 LEU 17 HD1 LEU 17 -5.138 5.684 -3.243 105 2HD1 LEU 17 HD1 LEU 17 -3.899 5.189 -4.422 106 3HD1 LEU 17 HD1 LEU 17 -3.722 4.748 -2.706 107 1HD2 LEU 17 HD2 LEU 17 -2.556 5.948 -1.319 108 2HD2 LEU 17 HD2 LEU 17 -1.986 7.605 -1.633 109 3HD2 LEU 17 HD2 LEU 17 -3.654 7.328 -1.077 110 H ALA 18 H ALA 18 -0.336 5.685 -6.309 111 HA ALA 18 HA ALA 18 -1.533 3.196 -6.669 112 1HB ALA 18 HB1 ALA 18 0.426 4.937 -8.113 113 2HB ALA 18 HB2 ALA 18 0.327 3.232 -8.612 114 3HB ALA 18 HB3 ALA 18 -1.125 4.260 -8.665 115 H ARG 19 H ARG 19 1.879 4.135 -5.894 116 HA ARG 19 HA ARG 19 2.909 1.601 -5.991 117 1HB ARG 19 HB1 ARG 19 3.744 3.862 -4.105 118 2HB ARG 19 HB2 ARG 19 4.752 2.514 -4.588 119 1HG ARG 19 HG1 ARG 19 3.568 4.038 -6.859 120 2HG ARG 19 HG2 ARG 19 4.681 4.962 -5.871 121 1HD ARG 19 HD1 ARG 19 5.455 2.177 -6.796 122 2HD ARG 19 HD2 ARG 19 5.609 3.531 -7.898 123 HE ARG 19 HE ARG 19 6.836 4.457 -5.594 124 1HH1 ARG 19 HH1 ARG 19 9.967 2.929 -5.804 125 2HH1 ARG 19 HH1 ARG 19 9.059 4.231 -5.111 126 1HH2 ARG 19 HH2 ARG 19 8.926 1.414 -7.222 127 2HH2 ARG 19 HH2 ARG 19 7.242 1.586 -7.587 128 H TYR 20 H TYR 20 0.792 3.131 -3.650 129 HA TYR 20 HA TYR 20 1.439 1.195 -1.577 130 1HB TYR 20 HB1 TYR 20 1.011 3.389 -0.720 131 2HB TYR 20 HB2 TYR 20 -0.140 3.757 -1.989 132 HD1 TYR 20 HD1 TYR 20 0.199 1.388 0.910 133 HD2 TYR 20 HD2 TYR 20 -2.374 3.916 -1.391 134 HE1 TYR 20 HE1 TYR 20 -1.722 0.891 2.499 135 HE2 TYR 20 HE2 TYR 20 -4.287 3.410 0.206 136 HH TYR 20 HH TYR 20 -4.732 1.214 1.842 137 H TYR 21 H TYR 21 -0.621 1.490 -4.317 138 HA TYR 21 HA TYR 21 -2.652 -0.239 -3.112 139 1HB TYR 21 HB1 TYR 21 -2.408 1.864 -5.178 140 2HB TYR 21 HB2 TYR 21 -3.139 0.431 -5.873 141 HD1 TYR 21 HD1 TYR 21 -5.451 0.275 -5.809 142 HD2 TYR 21 HD2 TYR 21 -3.455 2.535 -2.774 143 HE1 TYR 21 HE1 TYR 21 -7.696 0.951 -4.825 144 HE2 TYR 21 HE2 TYR 21 -5.706 3.203 -1.800 145 HH TYR 21 HH TYR 21 -7.857 3.167 -2.058 146 H SER 22 H SER 22 0.002 -0.143 -5.470 147 HA SER 22 HA SER 22 -0.810 -2.545 -6.738 148 1HB SER 22 HB1 SER 22 0.471 -1.058 -8.082 149 2HB SER 22 HB2 SER 22 1.668 -0.802 -6.828 150 HG SER 22 HG SER 22 1.400 -2.945 -8.671 151 H ALA 23 H ALA 23 1.348 -1.569 -4.059 152 HA ALA 23 HA ALA 23 2.534 -4.178 -3.846 153 1HB ALA 23 HB1 ALA 23 3.070 -1.525 -2.950 154 2HB ALA 23 HB2 ALA 23 2.875 -2.539 -1.500 155 3HB ALA 23 HB3 ALA 23 4.075 -2.979 -2.739 156 H LEU 24 H LEU 24 -0.264 -2.414 -2.588 157 HA LEU 24 HA LEU 24 -0.677 -3.967 -0.291 158 1HB LEU 24 HB1 LEU 24 -2.083 -2.296 -0.020 159 2HB LEU 24 HB2 LEU 24 -1.948 -1.833 -1.705 160 HG LEU 24 HG LEU 24 -4.262 -2.189 -1.150 161 1HD1 LEU 24 HD1 LEU 24 -4.547 -2.931 -3.218 162 2HD1 LEU 24 HD1 LEU 24 -2.892 -3.586 -3.226 163 3HD1 LEU 24 HD1 LEU 24 -4.246 -4.597 -2.667 164 1HD2 LEU 24 HD2 LEU 24 -3.240 -4.389 0.389 165 2HD2 LEU 24 HD2 LEU 24 -4.859 -3.650 0.408 166 3HD2 LEU 24 HD2 LEU 24 -4.498 -4.973 -0.727 167 H ARG 25 H ARG 25 -0.834 -4.741 -3.639 168 HA ARG 25 HA ARG 25 -2.894 -6.681 -3.329 169 1HB ARG 25 HB1 ARG 25 -1.260 -5.553 -5.535 170 2HB ARG 25 HB2 ARG 25 -1.564 -7.268 -5.724 171 1HG ARG 25 HG1 ARG 25 -4.013 -6.875 -5.441 172 2HG ARG 25 HG2 ARG 25 -3.720 -5.161 -5.221 173 1HD ARG 25 HD1 ARG 25 -2.434 -6.160 -7.673 174 2HD ARG 25 HD2 ARG 25 -4.156 -6.489 -7.676 175 HE ARG 25 HE ARG 25 -3.591 -3.770 -6.808 176 1HH1 ARG 25 HH1 ARG 25 -4.455 -2.345 -9.874 177 2HH1 ARG 25 HH1 ARG 25 -4.138 -2.041 -8.199 178 1HH2 ARG 25 HH2 ARG 25 -4.325 -4.508 -10.706 179 2HH2 ARG 25 HH2 ARG 25 -3.910 -5.818 -9.651 180 H HIS 26 H HIS 26 0.614 -6.846 -4.326 181 HA HIS 26 HA HIS 26 0.851 -9.576 -4.046 182 1HB HIS 26 HB1 HIS 26 2.450 -7.514 -4.879 183 2HB HIS 26 HB2 HIS 26 3.254 -7.987 -3.394 184 HD1 HIS 26 HD1 HIS 26 3.367 -8.693 -6.868 185 HD2 HIS 26 HD2 HIS 26 3.546 -11.076 -3.419 186 HE1 HIS 26 HE1 HIS 26 4.452 -10.893 -7.573 187 H TYR 27 H TYR 27 0.564 -7.070 -1.635 188 HA TYR 27 HA TYR 27 1.817 -8.628 0.444 189 1HB TYR 27 HB1 TYR 27 1.983 -6.245 0.688 190 2HB TYR 27 HB2 TYR 27 0.387 -5.977 0.016 191 HD1 TYR 27 HD1 TYR 27 1.510 -8.109 2.893 192 HD2 TYR 27 HD2 TYR 27 -0.844 -4.783 1.590 193 HE1 TYR 27 HE1 TYR 27 0.560 -7.853 5.237 194 HE2 TYR 27 HE2 TYR 27 -1.786 -4.538 3.938 195 HH TYR 27 HH TYR 27 -0.562 -5.459 6.473 196 H ILE 28 H ILE 28 -1.514 -7.665 -0.580 197 HA ILE 28 HA ILE 28 -2.681 -9.111 1.607 198 HB ILE 28 HB ILE 28 -3.752 -7.586 -0.752 199 1HG1 ILE 28 1HG1 ILE 28 -2.883 -6.240 1.070 200 2HG1 ILE 28 2HG1 ILE 28 -4.628 -6.096 0.988 201 1HG2 ILE 28 1HG2 ILE 28 -5.366 -9.120 1.304 202 2HG2 ILE 28 2HG2 ILE 28 -6.017 -7.985 0.097 203 3HG2 ILE 28 3HG2 ILE 28 -5.235 -9.494 -0.431 204 1HD1 ILE 28 1HD1 ILE 28 -4.184 -8.303 2.699 205 2HD1 ILE 28 2HD1 ILE 28 -2.964 -7.096 3.170 206 3HD1 ILE 28 3HD1 ILE 28 -4.691 -6.666 3.180 207 H ASN 29 H ASN 29 -1.394 -9.864 -1.502 208 HA ASN 29 HA ASN 29 -3.088 -11.762 -2.433 209 1HB ASN 29 HB1 ASN 29 -0.759 -10.851 -3.324 210 2HB ASN 29 HB2 ASN 29 -0.076 -12.207 -2.450 211 1HD2 ASN 29 HD2 ASN 29 -0.956 -14.356 -2.895 212 2HD2 ASN 29 HD2 ASN 29 -1.459 -14.758 -4.503 213 H LEU 30 H LEU 30 -1.114 -11.726 0.460 214 HA LEU 30 HA LEU 30 -1.162 -14.623 0.717 215 1HB LEU 30 HB1 LEU 30 0.619 -14.408 2.022 216 2HB LEU 30 HB2 LEU 30 0.740 -12.808 1.317 217 HG LEU 30 HG LEU 30 -0.911 -12.284 3.416 218 1HD1 LEU 30 HD1 LEU 30 -0.824 -13.752 5.082 219 2HD1 LEU 30 HD1 LEU 30 -0.046 -14.887 3.952 220 3HD1 LEU 30 HD1 LEU 30 0.952 -13.846 4.996 221 1HD2 LEU 30 HD2 LEU 30 2.014 -12.077 2.936 222 2HD2 LEU 30 HD2 LEU 30 0.804 -10.813 3.263 223 3HD2 LEU 30 HD2 LEU 30 1.446 -11.798 4.599 224 H ALA 31 H ALA 31 -3.622 -12.826 0.723 225 HA ALA 31 HA ALA 31 -4.505 -13.308 3.477 226 1HB ALA 31 HB1 ALA 31 -5.688 -11.592 1.254 227 2HB ALA 31 HB2 ALA 31 -6.307 -11.716 2.918 228 3HB ALA 31 HB3 ALA 31 -4.706 -11.000 2.616 229 1HN AIB 32 1HN AIB 32 -4.475 -14.750 0.431 230 1HB1 AIB 32 1HB1 AIB 32 -5.100 -16.186 -1.554 231 2HB1 AIB 32 2HB1 AIB 32 -5.891 -17.721 -1.108 232 3HB1 AIB 32 3HB1 AIB 32 -4.384 -17.244 -0.305 233 1HB2 AIB 32 1HB2 AIB 32 -7.296 -14.897 -1.109 234 2HB2 AIB 32 2HB2 AIB 32 -8.009 -14.906 0.513 235 3HB2 AIB 32 3HB2 AIB 32 -8.130 -16.360 -0.515 236 H ARG 33 H ARG 33 -4.799 -16.512 2.595 237 HA ARG 33 HA ARG 33 -6.955 -18.069 3.691 238 1HB ARG 33 HB1 ARG 33 -4.188 -19.265 3.914 239 2HB ARG 33 HB2 ARG 33 -5.743 -20.069 3.997 240 1HG ARG 33 HG1 ARG 33 -6.005 -19.381 1.480 241 2HG ARG 33 HG2 ARG 33 -4.281 -19.069 1.526 242 1HD ARG 33 HD1 ARG 33 -4.349 -21.318 0.826 243 2HD ARG 33 HD2 ARG 33 -4.091 -21.487 2.551 244 HE ARG 33 HE ARG 33 -6.867 -21.439 2.281 245 1HH1 ARG 33 HH1 ARG 33 -7.481 -24.767 1.428 246 2HH1 ARG 33 HH1 ARG 33 -8.164 -23.308 2.066 247 1HH2 ARG 33 HH2 ARG 33 -5.250 -24.822 0.793 248 2HH2 ARG 33 HH2 ARG 33 -4.267 -23.405 0.957 249 H GLN 34 H GLN 34 -3.591 -16.773 4.044 250 HA GLN 34 HA GLN 34 -3.353 -16.917 6.739 251 1HB GLN 34 HB1 GLN 34 -1.988 -15.669 4.590 252 2HB GLN 34 HB2 GLN 34 -2.281 -14.387 5.748 253 1HG GLN 34 HG1 GLN 34 -0.137 -15.500 6.244 254 2HG GLN 34 HG2 GLN 34 -1.267 -15.758 7.559 255 1HE2 GLN 34 1HE2 GLN 34 0.501 -17.470 7.803 256 2HE2 GLN 34 2HE2 GLN 34 0.172 -19.033 7.133 257 H ARG 35 H ARG 35 -5.528 -14.943 4.848 258 HA ARG 35 HA ARG 35 -5.904 -13.087 7.006 259 1HB ARG 35 HB1 ARG 35 -6.162 -12.901 4.233 260 2HB ARG 35 HB2 ARG 35 -7.834 -13.023 4.744 261 1HG ARG 35 HG1 ARG 35 -6.931 -11.213 6.586 262 2HG ARG 35 HG2 ARG 35 -5.842 -10.846 5.263 263 1HD ARG 35 HD1 ARG 35 -7.772 -9.426 4.965 264 2HD ARG 35 HD2 ARG 35 -7.883 -10.668 3.734 265 HE ARG 35 HE ARG 35 -9.765 -11.581 4.823 266 1HH1 ARG 35 HH1 ARG 35 -11.383 -10.491 7.716 267 2HH1 ARG 35 HH1 ARG 35 -11.479 -11.529 6.333 268 1HH2 ARG 35 HH2 ARG 35 -9.514 -9.153 8.036 269 2HH2 ARG 35 HH2 ARG 35 -8.214 -9.192 6.891 270 H TYR 36 H TYR 36 -6.564 -16.071 7.185 271 HA TYR 36 HA TYR 36 -9.221 -15.710 8.281 272 1HB TYR 36 HB1 TYR 36 -10.055 -16.609 6.279 273 2HB TYR 36 HB2 TYR 36 -8.464 -17.132 5.765 274 HD1 TYR 36 HD1 TYR 36 -11.143 -18.046 8.227 275 HD2 TYR 36 HD2 TYR 36 -8.000 -19.414 5.667 276 HE1 TYR 36 HE1 TYR 36 -11.760 -20.457 8.746 277 HE2 TYR 36 HE2 TYR 36 -8.628 -21.820 6.194 278 HH TYR 36 HH TYR 36 -11.348 -22.538 8.370 279 1HN NH2 37 HN1 NH2 237 -6.644 -18.033 7.444 280 2HN NH2 37 HN2 NH2 237 -6.601 -18.846 8.972 Start of MODEL 3 1 H TYR 1 H TYR 1 4.925 6.035 -20.391 2 HA TYR 1 HA TYR 1 2.787 5.558 -22.251 3 1HB TYR 1 HB1 TYR 1 5.321 7.246 -22.601 4 2HB TYR 1 HB2 TYR 1 3.728 7.583 -23.249 5 HD1 TYR 1 HD1 TYR 1 5.984 8.068 -20.467 6 HD2 TYR 1 HD2 TYR 1 1.887 8.330 -21.671 7 HE1 TYR 1 HE1 TYR 1 5.491 9.583 -18.486 8 HE2 TYR 1 HE2 TYR 1 1.408 9.844 -19.686 9 HH TYR 1 HH TYR 1 3.509 11.502 -18.138 10 HA PRO 2 HA PRO 2 4.966 3.072 -25.039 11 1HB PRO 2 HB1 PRO 2 3.808 3.723 -27.428 12 2HB PRO 2 HB2 PRO 2 3.068 2.637 -26.268 13 1HG PRO 2 HG1 PRO 2 2.370 5.442 -26.889 14 2HG PRO 2 HG2 PRO 2 1.408 4.226 -26.071 15 1HD PRO 2 HD1 PRO 2 2.813 6.410 -24.851 16 2HD PRO 2 HD2 PRO 2 1.948 5.128 -24.026 17 H SER 3 H SER 3 4.573 6.230 -26.590 18 HA SER 3 HA SER 3 6.997 5.957 -27.951 19 1HB SER 3 HB1 SER 3 6.679 8.342 -28.529 20 2HB SER 3 HB2 SER 3 5.190 7.440 -28.730 21 HG SER 3 HG SER 3 4.427 9.096 -27.556 22 H LYS 4 H LYS 4 8.260 5.218 -25.942 23 HA LYS 4 HA LYS 4 9.822 5.586 -24.428 24 1HB LYS 4 HB1 LYS 4 11.236 6.901 -25.570 25 2HB LYS 4 HB2 LYS 4 9.956 7.938 -26.168 26 1HG LYS 4 HG1 LYS 4 9.851 9.050 -23.897 27 2HG LYS 4 HG2 LYS 4 11.206 8.065 -23.383 28 1HD LYS 4 HD1 LYS 4 12.055 9.186 -25.835 29 2HD LYS 4 HD2 LYS 4 11.196 10.491 -25.041 30 1HE LYS 4 HE1 LYS 4 13.325 10.777 -24.123 31 2HE LYS 4 HE2 LYS 4 12.599 9.745 -22.907 32 1HZ LYS 4 HZ1 LYS 4 14.132 8.253 -23.348 33 2HZ LYS 4 HZ2 LYS 4 13.649 8.129 -24.903 34 3HZ LYS 4 HZ3 LYS 4 14.802 9.209 -24.490 35 HA PRO 5 HA PRO 5 7.626 7.052 -21.006 36 1HB PRO 5 HB1 PRO 5 9.494 6.677 -19.047 37 2HB PRO 5 HB2 PRO 5 8.481 5.387 -19.665 38 1HG PRO 5 HG1 PRO 5 11.342 5.910 -20.193 39 2HG PRO 5 HG2 PRO 5 10.432 4.433 -20.440 40 1HD PRO 5 HD1 PRO 5 11.252 6.301 -22.456 41 2HD PRO 5 HD2 PRO 5 10.244 4.886 -22.686 42 H ASP 6 H ASP 6 7.704 9.190 -22.204 43 HA ASP 6 HA ASP 6 9.654 11.001 -21.508 44 1HB ASP 6 HB1 ASP 6 7.742 12.709 -22.032 45 2HB ASP 6 HB2 ASP 6 8.283 11.640 -23.312 46 H ASN 7 H ASN 7 9.615 12.759 -19.896 47 HA ASN 7 HA ASN 7 7.711 12.247 -17.747 48 1HB ASN 7 HB1 ASN 7 9.513 13.045 -16.173 49 2HB ASN 7 HB2 ASN 7 9.977 11.591 -17.034 50 1HD2 ASN 7 HD2 ASN 7 10.796 14.739 -16.227 51 2HD2 ASN 7 HD2 ASN 7 12.130 14.998 -17.301 52 HA PRO 8 HA PRO 8 7.048 16.514 -18.972 53 1HB PRO 8 HB1 PRO 8 4.433 16.672 -18.195 54 2HB PRO 8 HB2 PRO 8 4.928 16.153 -19.794 55 1HG PRO 8 HG1 PRO 8 3.925 14.520 -17.543 56 2HG PRO 8 HG2 PRO 8 4.018 14.106 -19.243 57 1HD PRO 8 HD1 PRO 8 5.776 13.211 -17.161 58 2HD PRO 8 HD2 PRO 8 5.936 12.892 -18.876 59 H GLY 9 H GLY 9 6.072 15.086 -15.924 60 1HA GLY 9 HA1 GLY 9 7.402 17.256 -14.534 61 2HA GLY 9 HA2 GLY 9 5.662 17.202 -14.330 62 H GLU 10 H GLU 10 4.846 14.717 -13.988 63 HA GLU 10 HA GLU 10 4.793 12.970 -12.696 64 1HB GLU 10 HB1 GLU 10 7.736 13.057 -12.038 65 2HB GLU 10 HB2 GLU 10 6.709 11.666 -12.328 66 1HG GLU 10 HG1 GLU 10 6.510 12.875 -14.769 67 2HG GLU 10 HG2 GLU 10 8.097 13.449 -14.299 68 H ASP 11 H ASP 11 3.627 14.611 -11.298 69 HA ASP 11 HA ASP 11 4.845 14.546 -8.705 70 1HB ASP 11 HB1 ASP 11 5.482 16.766 -9.893 71 2HB ASP 11 HB2 ASP 11 3.785 17.189 -9.790 72 H ALA 12 H ALA 12 3.097 13.324 -7.871 73 HA ALA 12 HA ALA 12 0.673 14.655 -7.357 74 1HB ALA 12 HB1 ALA 12 -0.555 14.142 -9.165 75 2HB ALA 12 HB2 ALA 12 0.837 13.306 -9.894 76 3HB ALA 12 HB3 ALA 12 -0.286 12.412 -8.842 77 HA PRO 13 HA PRO 13 0.717 11.519 -4.380 78 1HB PRO 13 HB1 PRO 13 -1.872 11.515 -3.506 79 2HB PRO 13 HB2 PRO 13 -0.689 12.701 -2.992 80 1HG PRO 13 HG1 PRO 13 -2.923 13.019 -4.901 81 2HG PRO 13 HG2 PRO 13 -2.012 14.258 -4.061 82 1HD PRO 13 HD1 PRO 13 -1.734 13.492 -6.811 83 2HD PRO 13 HD2 PRO 13 -0.746 14.648 -5.940 84 H ALA 14 H ALA 14 -1.086 11.179 -7.196 85 HA ALA 14 HA ALA 14 -2.248 8.680 -6.679 86 1HB ALA 14 HB1 ALA 14 -3.159 9.679 -8.538 87 2HB ALA 14 HB2 ALA 14 -1.608 10.384 -9.054 88 3HB ALA 14 HB3 ALA 14 -1.945 8.662 -9.352 89 H GLU 15 H GLU 15 1.007 9.729 -7.731 90 HA GLU 15 HA GLU 15 1.775 7.052 -8.340 91 1HB GLU 15 HB1 GLU 15 2.687 9.102 -9.509 92 2HB GLU 15 HB2 GLU 15 3.516 9.537 -8.027 93 1HG GLU 15 HG1 GLU 15 3.944 6.737 -9.024 94 2HG GLU 15 HG2 GLU 15 4.661 8.021 -9.977 95 H ASP 16 H ASP 16 1.466 8.987 -5.501 96 HA ASP 16 HA ASP 16 3.586 7.624 -4.123 97 1HB ASP 16 HB1 ASP 16 1.601 9.809 -3.445 98 2HB ASP 16 HB2 ASP 16 2.415 8.970 -2.140 99 H LEU 17 H LEU 17 0.069 7.565 -4.611 100 HA LEU 17 HA LEU 17 -0.310 5.740 -2.375 101 1HB LEU 17 HB1 LEU 17 -1.843 7.765 -3.500 102 2HB LEU 17 HB2 LEU 17 -2.619 6.297 -4.060 103 HG LEU 17 HG LEU 17 -2.086 5.935 -1.291 104 1HD1 LEU 17 HD1 LEU 17 -2.866 8.717 -1.999 105 2HD1 LEU 17 HD1 LEU 17 -3.720 7.947 -0.640 106 3HD1 LEU 17 HD1 LEU 17 -1.947 8.094 -0.608 107 1HD2 LEU 17 HD2 LEU 17 -3.897 4.828 -2.321 108 2HD2 LEU 17 HD2 LEU 17 -4.624 5.992 -1.188 109 3HD2 LEU 17 HD2 LEU 17 -4.589 6.351 -2.931 110 H ALA 18 H ALA 18 -0.028 5.847 -5.906 111 HA ALA 18 HA ALA 18 -1.247 3.452 -6.549 112 1HB ALA 18 HB1 ALA 18 1.013 5.086 -7.712 113 2HB ALA 18 HB2 ALA 18 0.557 3.528 -8.441 114 3HB ALA 18 HB3 ALA 18 -0.636 4.844 -8.334 115 H ARG 19 H ARG 19 2.178 4.132 -5.567 116 HA ARG 19 HA ARG 19 3.055 1.550 -5.806 117 1HB ARG 19 HB1 ARG 19 4.854 2.263 -4.169 118 2HB ARG 19 HB2 ARG 19 4.620 3.395 -5.486 119 1HG ARG 19 HG1 ARG 19 3.353 4.914 -4.088 120 2HG ARG 19 HG2 ARG 19 3.190 3.720 -2.815 121 1HD ARG 19 HD1 ARG 19 5.934 4.689 -3.708 122 2HD ARG 19 HD2 ARG 19 5.000 5.588 -2.528 123 HE ARG 19 HE ARG 19 6.349 3.036 -2.097 124 1HH1 ARG 19 HH1 ARG 19 5.102 2.672 1.141 125 2HH1 ARG 19 HH1 ARG 19 6.266 2.108 -0.011 126 1HH2 ARG 19 HH2 ARG 19 3.627 4.369 0.566 127 2HH2 ARG 19 HH2 ARG 19 3.691 5.072 -1.016 128 H TYR 20 H TYR 20 0.909 3.019 -3.472 129 HA TYR 20 HA TYR 20 1.372 0.912 -1.510 130 1HB TYR 20 HB1 TYR 20 1.069 3.062 -0.502 131 2HB TYR 20 HB2 TYR 20 -0.008 3.605 -1.774 132 HD1 TYR 20 HD1 TYR 20 -2.407 2.814 -1.789 133 HD2 TYR 20 HD2 TYR 20 0.224 2.079 1.504 134 HE1 TYR 20 HE1 TYR 20 -4.404 2.336 -0.290 135 HE2 TYR 20 HE2 TYR 20 -1.782 1.604 2.992 136 HH TYR 20 HH TYR 20 -4.260 2.349 2.962 137 H TYR 21 H TYR 21 -0.547 1.531 -4.290 138 HA TYR 21 HA TYR 21 -2.755 -0.099 -3.277 139 1HB TYR 21 HB1 TYR 21 -2.252 2.084 -5.209 140 2HB TYR 21 HB2 TYR 21 -3.055 0.752 -6.014 141 HD1 TYR 21 HD1 TYR 21 -3.871 3.753 -4.979 142 HD2 TYR 21 HD2 TYR 21 -4.859 -0.268 -3.901 143 HE1 TYR 21 HE1 TYR 21 -6.108 4.540 -4.062 144 HE2 TYR 21 HE2 TYR 21 -7.093 0.534 -2.987 145 HH TYR 21 HH TYR 21 -8.219 3.754 -3.551 146 H SER 22 H SER 22 0.012 -0.091 -5.502 147 HA SER 22 HA SER 22 -0.931 -2.393 -6.891 148 1HB SER 22 HB1 SER 22 1.187 -0.426 -7.187 149 2HB SER 22 HB2 SER 22 1.869 -2.034 -7.325 150 HG SER 22 HG SER 22 -0.160 -0.790 -8.934 151 H ALA 23 H ALA 23 1.192 -1.604 -4.140 152 HA ALA 23 HA ALA 23 2.284 -4.270 -4.023 153 1HB ALA 23 HB1 ALA 23 3.125 -1.766 -3.215 154 2HB ALA 23 HB2 ALA 23 2.583 -2.493 -1.684 155 3HB ALA 23 HB3 ALA 23 3.823 -3.308 -2.667 156 H LEU 24 H LEU 24 -0.512 -2.500 -2.869 157 HA LEU 24 HA LEU 24 -1.004 -3.948 -0.528 158 1HB LEU 24 HB1 LEU 24 -2.580 -2.427 -0.372 159 2HB LEU 24 HB2 LEU 24 -2.171 -1.855 -1.977 160 HG LEU 24 HG LEU 24 -4.520 -2.232 -1.912 161 1HD1 LEU 24 HD1 LEU 24 -4.253 -4.643 -3.396 162 2HD1 LEU 24 HD1 LEU 24 -4.418 -2.975 -3.996 163 3HD1 LEU 24 HD1 LEU 24 -2.801 -3.656 -3.692 164 1HD2 LEU 24 HD2 LEU 24 -3.853 -4.379 -0.162 165 2HD2 LEU 24 HD2 LEU 24 -5.456 -3.708 -0.549 166 3HD2 LEU 24 HD2 LEU 24 -4.791 -5.042 -1.522 167 H ARG 25 H ARG 25 -0.957 -4.920 -3.820 168 HA ARG 25 HA ARG 25 -2.971 -6.917 -3.461 169 1HB ARG 25 HB1 ARG 25 -2.372 -5.638 -5.665 170 2HB ARG 25 HB2 ARG 25 -1.005 -6.729 -5.783 171 1HG ARG 25 HG1 ARG 25 -2.379 -8.248 -6.754 172 2HG ARG 25 HG2 ARG 25 -3.200 -8.420 -5.215 173 1HD ARG 25 HD1 ARG 25 -4.700 -6.483 -5.832 174 2HD ARG 25 HD2 ARG 25 -3.910 -6.394 -7.393 175 HE ARG 25 HE ARG 25 -5.848 -8.415 -6.528 176 1HH1 ARG 25 HH1 ARG 25 -5.660 -10.153 -9.548 177 2HH1 ARG 25 HH1 ARG 25 -6.540 -9.953 -8.070 178 1HH2 ARG 25 HH2 ARG 25 -3.778 -8.859 -9.963 179 2HH2 ARG 25 HH2 ARG 25 -3.254 -7.693 -8.794 180 H HIS 26 H HIS 26 0.590 -6.842 -4.240 181 HA HIS 26 HA HIS 26 0.976 -9.574 -3.957 182 1HB HIS 26 HB1 HIS 26 2.487 -7.376 -4.694 183 2HB HIS 26 HB2 HIS 26 3.269 -7.898 -3.215 184 HD1 HIS 26 HD1 HIS 26 5.363 -8.897 -4.286 185 HD2 HIS 26 HD2 HIS 26 1.799 -10.493 -5.817 186 HE1 HIS 26 HE1 HIS 26 6.035 -10.890 -5.731 187 H TYR 27 H TYR 27 0.405 -7.069 -1.602 188 HA TYR 27 HA TYR 27 1.663 -8.520 0.555 189 1HB TYR 27 HB1 TYR 27 1.690 -6.169 0.887 190 2HB TYR 27 HB2 TYR 27 0.218 -5.933 -0.033 191 HD1 TYR 27 HD1 TYR 27 1.021 -7.894 3.073 192 HD2 TYR 27 HD2 TYR 27 -1.387 -4.865 1.249 193 HE1 TYR 27 HE1 TYR 27 -0.294 -7.628 5.233 194 HE2 TYR 27 HE2 TYR 27 -2.694 -4.609 3.415 195 HH TYR 27 HH TYR 27 -3.045 -6.566 5.546 196 H ILE 28 H ILE 28 -1.681 -7.700 -0.571 197 HA ILE 28 HA ILE 28 -2.856 -9.198 1.565 198 HB ILE 28 HB ILE 28 -3.858 -7.694 -0.824 199 1HG1 ILE 28 1HG1 ILE 28 -4.239 -7.429 2.171 200 2HG1 ILE 28 2HG1 ILE 28 -3.277 -6.393 1.135 201 1HG2 ILE 28 1HG2 ILE 28 -5.479 -9.265 -1.010 202 2HG2 ILE 28 2HG2 ILE 28 -5.269 -9.848 0.659 203 3HG2 ILE 28 3HG2 ILE 28 -6.179 -8.350 0.347 204 1HD1 ILE 28 1HD1 ILE 28 -6.242 -6.510 1.481 205 2HD1 ILE 28 2HD1 ILE 28 -5.191 -5.118 1.122 206 3HD1 ILE 28 3HD1 ILE 28 -5.664 -6.236 -0.180 207 H ASN 29 H ASN 29 -1.472 -9.893 -1.540 208 HA ASN 29 HA ASN 29 -3.026 -11.932 -2.429 209 1HB ASN 29 HB1 ASN 29 -0.414 -10.888 -2.952 210 2HB ASN 29 HB2 ASN 29 -0.188 -12.609 -2.707 211 1HD2 ASN 29 HD2 ASN 29 0.377 -12.774 -4.905 212 2HD2 ASN 29 HD2 ASN 29 -0.817 -12.824 -6.160 213 H LEU 30 H LEU 30 -0.996 -11.699 0.421 214 HA LEU 30 HA LEU 30 -0.565 -14.516 0.712 215 1HB LEU 30 HB1 LEU 30 -0.173 -12.212 2.628 216 2HB LEU 30 HB2 LEU 30 0.343 -13.863 2.910 217 HG LEU 30 HG LEU 30 1.326 -12.162 0.604 218 1HD1 LEU 30 HD1 LEU 30 2.728 -12.716 3.232 219 2HD1 LEU 30 HD1 LEU 30 3.345 -11.758 1.865 220 3HD1 LEU 30 HD1 LEU 30 1.940 -11.182 2.794 221 1HD2 LEU 30 HD2 LEU 30 2.953 -13.833 0.218 222 2HD2 LEU 30 HD2 LEU 30 2.567 -14.673 1.738 223 3HD2 LEU 30 HD2 LEU 30 1.401 -14.686 0.394 224 H ALA 31 H ALA 31 -3.157 -12.283 1.281 225 HA ALA 31 HA ALA 31 -4.835 -14.347 2.211 226 1HB ALA 31 HB1 ALA 31 -3.507 -12.578 4.221 227 2HB ALA 31 HB2 ALA 31 -5.246 -12.888 4.439 228 3HB ALA 31 HB3 ALA 31 -4.099 -14.248 4.383 229 1HN AIB 32 1HN AIB 32 -6.325 -13.692 0.677 230 1HB1 AIB 32 1HB1 AIB 32 -7.147 -11.729 -1.751 231 2HB1 AIB 32 2HB1 AIB 32 -5.726 -11.149 -0.842 232 3HB1 AIB 32 3HB1 AIB 32 -7.173 -10.132 -0.953 233 1HB2 AIB 32 1HB2 AIB 32 -7.895 -11.256 2.481 234 2HB2 AIB 32 2HB2 AIB 32 -8.857 -10.420 1.250 235 3HB2 AIB 32 3HB2 AIB 32 -7.145 -9.976 1.488 236 H ARG 33 H ARG 33 -7.434 -14.296 -0.615 237 HA ARG 33 HA ARG 33 -10.345 -14.249 -0.615 238 1HB ARG 33 HB1 ARG 33 -8.827 -15.942 -2.607 239 2HB ARG 33 HB2 ARG 33 -10.422 -15.230 -2.758 240 1HG ARG 33 HG1 ARG 33 -7.818 -13.631 -2.744 241 2HG ARG 33 HG2 ARG 33 -8.677 -14.106 -4.196 242 1HD ARG 33 HD1 ARG 33 -9.425 -12.046 -2.134 243 2HD ARG 33 HD2 ARG 33 -9.557 -11.965 -3.880 244 HE ARG 33 HE ARG 33 -11.523 -13.136 -2.021 245 1HH1 ARG 33 HH1 ARG 33 -13.762 -13.811 -4.611 246 2HH1 ARG 33 HH1 ARG 33 -13.549 -13.732 -2.894 247 1HH2 ARG 33 HH2 ARG 33 -11.991 -13.312 -6.025 248 2HH2 ARG 33 HH2 ARG 33 -10.455 -12.860 -5.363 249 H GLN 34 H GLN 34 -7.296 -16.120 -0.294 250 HA GLN 34 HA GLN 34 -8.399 -18.602 0.113 251 1HB GLN 34 HB1 GLN 34 -5.892 -17.738 -0.110 252 2HB GLN 34 HB2 GLN 34 -5.944 -17.729 1.641 253 1HG GLN 34 HG1 GLN 34 -6.262 -20.066 1.786 254 2HG GLN 34 HG2 GLN 34 -6.930 -20.182 0.170 255 1HE2 GLN 34 1HE2 GLN 34 -4.644 -21.494 1.623 256 2HE2 GLN 34 2HE2 GLN 34 -3.273 -21.347 0.575 257 H ARG 35 H ARG 35 -8.603 -15.751 2.052 258 HA ARG 35 HA ARG 35 -9.487 -17.406 4.278 259 1HB ARG 35 HB1 ARG 35 -7.384 -15.576 4.332 260 2HB ARG 35 HB2 ARG 35 -8.717 -14.605 4.924 261 1HG ARG 35 HG1 ARG 35 -9.241 -16.554 6.543 262 2HG ARG 35 HG2 ARG 35 -7.697 -17.238 6.073 263 1HD ARG 35 HD1 ARG 35 -6.459 -15.511 7.086 264 2HD ARG 35 HD2 ARG 35 -7.759 -14.345 6.943 265 HE ARG 35 HE ARG 35 -8.801 -16.263 8.660 266 1HH1 ARG 35 HH1 ARG 35 -7.332 -15.335 11.686 267 2HH1 ARG 35 HH1 ARG 35 -8.636 -16.195 10.938 268 1HH2 ARG 35 HH2 ARG 35 -5.753 -14.252 10.375 269 2HH2 ARG 35 HH2 ARG 35 -5.878 -14.303 8.648 270 H TYR 36 H TYR 36 -10.856 -16.151 1.815 271 HA TYR 36 HA TYR 36 -12.574 -14.795 1.298 272 1HB TYR 36 HB1 TYR 36 -13.689 -15.723 3.989 273 2HB TYR 36 HB2 TYR 36 -14.531 -15.645 2.454 274 HD1 TYR 36 HD1 TYR 36 -13.414 -17.877 4.781 275 HD2 TYR 36 HD2 TYR 36 -13.154 -17.193 0.566 276 HE1 TYR 36 HE1 TYR 36 -12.963 -20.350 4.401 277 HE2 TYR 36 HE2 TYR 36 -12.704 -19.669 0.200 278 HH TYR 36 HH TYR 36 -12.741 -21.659 1.130 279 1HN NH2 37 HN1 NH2 237 -11.699 -12.740 1.522 280 2HN NH2 37 HN2 NH2 237 -12.054 -11.706 2.865 Start of MODEL 4 1 H TYR 1 H TYR 1 10.347 10.474 -22.325 2 HA TYR 1 HA TYR 1 12.065 8.245 -23.140 3 1HB TYR 1 HB1 TYR 1 13.063 11.020 -22.308 4 2HB TYR 1 HB2 TYR 1 13.965 9.782 -23.158 5 HD1 TYR 1 HD1 TYR 1 12.567 12.889 -23.575 6 HD2 TYR 1 HD2 TYR 1 12.652 9.069 -25.500 7 HE1 TYR 1 HE1 TYR 1 11.996 13.988 -25.796 8 HE2 TYR 1 HE2 TYR 1 12.081 10.181 -27.714 9 HH TYR 1 HH TYR 1 12.207 13.580 -28.109 10 HA PRO 2 HA PRO 2 11.464 8.283 -18.679 11 1HB PRO 2 HB1 PRO 2 10.935 5.617 -18.387 12 2HB PRO 2 HB2 PRO 2 9.683 6.826 -18.587 13 1HG PRO 2 HG1 PRO 2 10.698 4.865 -20.553 14 2HG PRO 2 HG2 PRO 2 9.198 5.771 -20.580 15 1HD PRO 2 HD1 PRO 2 11.553 6.305 -22.128 16 2HD PRO 2 HD2 PRO 2 10.096 7.276 -22.068 17 H SER 3 H SER 3 13.674 8.939 -18.579 18 HA SER 3 HA SER 3 15.385 6.590 -18.357 19 1HB SER 3 HB1 SER 3 15.812 9.355 -19.401 20 2HB SER 3 HB2 SER 3 17.138 8.695 -18.465 21 HG SER 3 HG SER 3 16.709 6.689 -19.954 22 H LYS 4 H LYS 4 14.765 6.157 -16.137 23 HA LYS 4 HA LYS 4 14.849 6.357 -13.939 24 1HB LYS 4 HB1 LYS 4 17.074 6.249 -13.674 25 2HB LYS 4 HB2 LYS 4 17.388 7.428 -14.932 26 1HG LYS 4 HG1 LYS 4 17.173 9.268 -13.454 27 2HG LYS 4 HG2 LYS 4 16.223 8.359 -12.295 28 1HD LYS 4 HD1 LYS 4 18.089 7.354 -11.329 29 2HD LYS 4 HD2 LYS 4 19.005 7.357 -12.822 30 1HE LYS 4 HE1 LYS 4 19.840 9.485 -12.475 31 2HE LYS 4 HE2 LYS 4 18.360 10.065 -11.737 32 1HZ LYS 4 HZ1 LYS 4 20.650 9.166 -10.471 33 2HZ LYS 4 HZ2 LYS 4 19.277 9.724 -9.784 34 3HZ LYS 4 HZ3 LYS 4 19.452 8.127 -10.081 35 HA PRO 5 HA PRO 5 12.545 10.149 -13.723 36 1HB PRO 5 HB1 PRO 5 10.455 9.152 -12.272 37 2HB PRO 5 HB2 PRO 5 10.484 9.168 -14.024 38 1HG PRO 5 HG1 PRO 5 10.878 6.888 -12.185 39 2HG PRO 5 HG2 PRO 5 10.484 6.866 -13.892 40 1HD PRO 5 HD1 PRO 5 13.045 6.335 -12.716 41 2HD PRO 5 HD2 PRO 5 12.676 6.426 -14.426 42 H ASP 6 H ASP 6 13.913 11.418 -12.548 43 HA ASP 6 HA ASP 6 14.313 10.654 -9.830 44 1HB ASP 6 HB1 ASP 6 15.742 12.672 -9.734 45 2HB ASP 6 HB2 ASP 6 16.134 11.695 -11.135 46 H ASN 7 H ASN 7 13.019 11.382 -8.125 47 HA ASN 7 HA ASN 7 12.104 13.897 -7.796 48 1HB ASN 7 HB1 ASN 7 10.585 12.694 -9.855 49 2HB ASN 7 HB2 ASN 7 9.566 12.523 -8.440 50 1HD2 ASN 7 HD2 ASN 7 8.385 14.171 -7.803 51 2HD2 ASN 7 HD2 ASN 7 8.533 15.817 -8.323 52 HA PRO 8 HA PRO 8 11.035 11.737 -4.128 53 1HB PRO 8 HB1 PRO 8 9.758 13.699 -2.717 54 2HB PRO 8 HB2 PRO 8 11.503 13.570 -2.815 55 1HG PRO 8 HG1 PRO 8 9.707 15.480 -4.179 56 2HG PRO 8 HG2 PRO 8 11.437 15.591 -3.923 57 1HD PRO 8 HD1 PRO 8 10.105 14.891 -6.365 58 2HD PRO 8 HD2 PRO 8 11.833 14.889 -6.076 59 H GLY 9 H GLY 9 8.386 13.643 -5.458 60 1HA GLY 9 HA1 GLY 9 6.602 11.943 -6.207 61 2HA GLY 9 HA2 GLY 9 6.531 11.570 -4.496 62 H GLU 10 H GLU 10 6.839 14.657 -6.405 63 HA GLU 10 HA GLU 10 4.351 15.500 -5.180 64 1HB GLU 10 HB1 GLU 10 6.602 17.500 -5.322 65 2HB GLU 10 HB2 GLU 10 5.205 17.482 -4.265 66 1HG GLU 10 HG1 GLU 10 6.213 15.361 -3.185 67 2HG GLU 10 HG2 GLU 10 7.676 15.706 -4.086 68 H ASP 11 H ASP 11 3.698 14.886 -7.454 69 HA ASP 11 HA ASP 11 4.083 17.211 -9.138 70 1HB ASP 11 HB1 ASP 11 5.591 15.753 -10.221 71 2HB ASP 11 HB2 ASP 11 4.656 14.326 -9.823 72 H ALA 12 H ALA 12 2.484 13.949 -8.807 73 HA ALA 12 HA ALA 12 -0.108 15.207 -9.021 74 1HB ALA 12 HB1 ALA 12 -0.231 14.845 -11.252 75 2HB ALA 12 HB2 ALA 12 1.189 13.772 -11.247 76 3HB ALA 12 HB3 ALA 12 -0.415 13.128 -10.820 77 HA PRO 13 HA PRO 13 -1.142 11.850 -6.496 78 1HB PRO 13 HB1 PRO 13 -3.738 11.286 -7.135 79 2HB PRO 13 HB2 PRO 13 -3.273 12.633 -6.116 80 1HG PRO 13 HG1 PRO 13 -4.172 12.664 -8.932 81 2HG PRO 13 HG2 PRO 13 -4.113 13.987 -7.783 82 1HD PRO 13 HD1 PRO 13 -2.277 13.497 -9.932 83 2HD PRO 13 HD2 PRO 13 -2.155 14.751 -8.714 84 H ALA 14 H ALA 14 -2.629 9.590 -6.582 85 HA ALA 14 HA ALA 14 -2.227 7.457 -7.111 86 1HB ALA 14 HB1 ALA 14 -2.621 7.092 -9.675 87 2HB ALA 14 HB2 ALA 14 -3.931 7.779 -8.686 88 3HB ALA 14 HB3 ALA 14 -2.930 8.845 -9.700 89 H GLU 15 H GLU 15 0.181 9.271 -6.975 90 HA GLU 15 HA GLU 15 1.884 7.657 -8.711 91 1HB GLU 15 HB1 GLU 15 1.768 10.090 -9.358 92 2HB GLU 15 HB2 GLU 15 2.403 10.515 -7.780 93 1HG GLU 15 HG1 GLU 15 4.417 10.416 -8.899 94 2HG GLU 15 HG2 GLU 15 4.301 8.717 -8.486 95 H ASP 16 H ASP 16 1.099 8.820 -5.501 96 HA ASP 16 HA ASP 16 3.580 7.650 -4.520 97 1HB ASP 16 HB1 ASP 16 2.924 10.096 -3.956 98 2HB ASP 16 HB2 ASP 16 1.642 9.421 -2.971 99 H LEU 17 H LEU 17 0.005 7.717 -4.400 100 HA LEU 17 HA LEU 17 -0.097 5.781 -2.258 101 1HB LEU 17 HB1 LEU 17 -1.724 7.815 -3.020 102 2HB LEU 17 HB2 LEU 17 -2.530 6.460 -3.786 103 HG LEU 17 HG LEU 17 -1.843 5.785 -1.057 104 1HD1 LEU 17 HD1 LEU 17 -2.974 7.387 0.210 105 2HD1 LEU 17 HD1 LEU 17 -2.006 8.349 -0.933 106 3HD1 LEU 17 HD1 LEU 17 -3.747 8.115 -1.219 107 1HD2 LEU 17 HD2 LEU 17 -4.674 6.167 -1.777 108 2HD2 LEU 17 HD2 LEU 17 -3.758 5.111 -2.879 109 3HD2 LEU 17 HD2 LEU 17 -3.825 4.738 -1.139 110 H ALA 18 H ALA 18 0.117 5.876 -5.737 111 HA ALA 18 HA ALA 18 -1.246 3.521 -6.357 112 1HB ALA 18 HB1 ALA 18 1.049 3.911 -8.056 113 2HB ALA 18 HB2 ALA 18 -0.666 4.241 -8.403 114 3HB ALA 18 HB3 ALA 18 0.349 5.497 -7.654 115 H ARG 19 H ARG 19 2.217 4.153 -5.495 116 HA ARG 19 HA ARG 19 3.071 1.574 -5.824 117 1HB ARG 19 HB1 ARG 19 4.016 3.715 -3.852 118 2HB ARG 19 HB2 ARG 19 4.911 2.247 -4.191 119 1HG ARG 19 HG1 ARG 19 4.091 3.736 -6.629 120 2HG ARG 19 HG2 ARG 19 5.175 4.634 -5.585 121 1HD ARG 19 HD1 ARG 19 6.753 2.664 -5.572 122 2HD ARG 19 HD2 ARG 19 5.682 1.822 -6.674 123 HE ARG 19 HE ARG 19 6.101 4.168 -8.020 124 1HH1 ARG 19 HH1 ARG 19 9.348 3.832 -9.253 125 2HH1 ARG 19 HH1 ARG 19 7.826 4.636 -9.444 126 1HH2 ARG 19 HH2 ARG 19 9.636 2.279 -7.552 127 2HH2 ARG 19 HH2 ARG 19 8.328 1.925 -6.473 128 H TYR 20 H TYR 20 1.018 3.003 -3.380 129 HA TYR 20 HA TYR 20 1.531 0.847 -1.487 130 1HB TYR 20 HB1 TYR 20 1.269 2.974 -0.421 131 2HB TYR 20 HB2 TYR 20 0.154 3.550 -1.644 132 HD1 TYR 20 HD1 TYR 20 0.352 1.016 1.116 133 HD2 TYR 20 HD2 TYR 20 -2.114 3.699 -1.127 134 HE1 TYR 20 HE1 TYR 20 -1.607 0.517 2.658 135 HE2 TYR 20 HE2 TYR 20 -4.064 3.191 0.423 136 HH TYR 20 HH TYR 20 -3.854 0.649 2.810 137 H TYR 21 H TYR 21 -0.477 1.540 -4.186 138 HA TYR 21 HA TYR 21 -2.657 -0.108 -3.141 139 1HB TYR 21 HB1 TYR 21 -2.208 2.119 -5.036 140 2HB TYR 21 HB2 TYR 21 -3.043 0.809 -5.846 141 HD1 TYR 21 HD1 TYR 21 -5.368 0.575 -5.624 142 HD2 TYR 21 HD2 TYR 21 -3.226 2.957 -2.788 143 HE1 TYR 21 HE1 TYR 21 -7.565 1.358 -4.613 144 HE2 TYR 21 HE2 TYR 21 -5.430 3.732 -1.786 145 HH TYR 21 HH TYR 21 -8.435 2.262 -2.686 146 H SER 22 H SER 22 0.039 -0.059 -5.450 147 HA SER 22 HA SER 22 -0.959 -2.318 -6.869 148 1HB SER 22 HB1 SER 22 0.885 -0.301 -7.406 149 2HB SER 22 HB2 SER 22 1.921 -1.690 -7.142 150 HG SER 22 HG SER 22 1.437 -1.890 -9.276 151 H ALA 23 H ALA 23 1.261 -1.615 -4.168 152 HA ALA 23 HA ALA 23 2.327 -4.291 -4.146 153 1HB ALA 23 HB1 ALA 23 3.111 -3.172 -1.796 154 2HB ALA 23 HB2 ALA 23 3.947 -2.896 -3.342 155 3HB ALA 23 HB3 ALA 23 2.771 -1.703 -2.742 156 H LEU 24 H LEU 24 -0.421 -2.533 -2.869 157 HA LEU 24 HA LEU 24 -0.855 -4.055 -0.558 158 1HB LEU 24 HB1 LEU 24 -2.381 -2.498 -0.295 159 2HB LEU 24 HB2 LEU 24 -2.043 -1.896 -1.906 160 HG LEU 24 HG LEU 24 -4.392 -2.241 -1.731 161 1HD1 LEU 24 HD1 LEU 24 -4.416 -2.944 -3.832 162 2HD1 LEU 24 HD1 LEU 24 -2.787 -3.633 -3.631 163 3HD1 LEU 24 HD1 LEU 24 -4.223 -4.625 -3.280 164 1HD2 LEU 24 HD2 LEU 24 -4.679 -5.058 -1.391 165 2HD2 LEU 24 HD2 LEU 24 -3.673 -4.432 -0.062 166 3HD2 LEU 24 HD2 LEU 24 -5.284 -3.738 -0.362 167 H ARG 25 H ARG 25 -0.917 -4.910 -3.876 168 HA ARG 25 HA ARG 25 -2.979 -6.857 -3.565 169 1HB ARG 25 HB1 ARG 25 -2.205 -5.520 -5.734 170 2HB ARG 25 HB2 ARG 25 -1.015 -6.798 -5.880 171 1HG ARG 25 HG1 ARG 25 -2.638 -7.972 -6.967 172 2HG ARG 25 HG2 ARG 25 -3.332 -8.248 -5.381 173 1HD ARG 25 HD1 ARG 25 -4.782 -6.267 -5.611 174 2HD ARG 25 HD2 ARG 25 -4.009 -5.828 -7.121 175 HE ARG 25 HE ARG 25 -4.878 -8.382 -7.648 176 1HH1 ARG 25 HH1 ARG 25 -8.300 -7.943 -8.170 177 2HH1 ARG 25 HH1 ARG 25 -6.932 -8.963 -8.464 178 1HH2 ARG 25 HH2 ARG 25 -8.048 -5.987 -6.946 179 2HH2 ARG 25 HH2 ARG 25 -6.491 -5.547 -6.328 180 H HIS 26 H HIS 26 0.595 -6.878 -4.285 181 HA HIS 26 HA HIS 26 0.851 -9.648 -4.032 182 1HB HIS 26 HB1 HIS 26 2.433 -7.560 -4.871 183 2HB HIS 26 HB2 HIS 26 3.225 -8.030 -3.380 184 HD1 HIS 26 HD1 HIS 26 3.118 -11.039 -3.381 185 HD2 HIS 26 HD2 HIS 26 3.784 -8.814 -6.875 186 HE1 HIS 26 HE1 HIS 26 4.287 -12.609 -5.017 187 H TYR 27 H TYR 27 0.483 -7.081 -1.696 188 HA TYR 27 HA TYR 27 1.737 -8.544 0.446 189 1HB TYR 27 HB1 TYR 27 1.824 -6.177 0.705 190 2HB TYR 27 HB2 TYR 27 0.296 -5.941 -0.120 191 HD1 TYR 27 HD1 TYR 27 1.280 -7.869 2.954 192 HD2 TYR 27 HD2 TYR 27 -1.206 -4.832 1.251 193 HE1 TYR 27 HE1 TYR 27 0.112 -7.560 5.191 194 HE2 TYR 27 HE2 TYR 27 -2.365 -4.533 3.493 195 HH TYR 27 HH TYR 27 -2.344 -5.040 5.609 196 H ILE 28 H ILE 28 -1.596 -7.775 -0.706 197 HA ILE 28 HA ILE 28 -2.784 -9.127 1.522 198 HB ILE 28 HB ILE 28 -3.810 -7.836 -0.989 199 1HG1 ILE 28 1HG1 ILE 28 -3.177 -6.277 0.707 200 2HG1 ILE 28 2HG1 ILE 28 -4.928 -6.347 0.668 201 1HG2 ILE 28 1HG2 ILE 28 -6.077 -8.348 -0.343 202 2HG2 ILE 28 2HG2 ILE 28 -5.164 -9.863 -0.542 203 3HG2 ILE 28 3HG2 ILE 28 -5.509 -9.240 1.090 204 1HD1 ILE 28 1HD1 ILE 28 -4.712 -8.145 2.551 205 2HD1 ILE 28 2HD1 ILE 28 -3.043 -7.549 2.721 206 3HD1 ILE 28 3HD1 ILE 28 -4.414 -6.443 2.981 207 H ASN 29 H ASN 29 -1.262 -10.073 -1.402 208 HA ASN 29 HA ASN 29 -2.801 -12.101 -2.315 209 1HB ASN 29 HB1 ASN 29 -0.443 -11.197 -3.085 210 2HB ASN 29 HB2 ASN 29 0.216 -12.411 -2.006 211 1HD2 ASN 29 HD2 ASN 29 0.893 -14.068 -3.122 212 2HD2 ASN 29 HD2 ASN 29 0.074 -14.867 -4.421 213 H LEU 30 H LEU 30 -0.923 -11.815 0.673 214 HA LEU 30 HA LEU 30 -0.673 -14.579 1.212 215 1HB LEU 30 HB1 LEU 30 -0.089 -12.027 2.514 216 2HB LEU 30 HB2 LEU 30 -0.590 -13.272 3.641 217 HG LEU 30 HG LEU 30 1.948 -12.909 2.971 218 1HD1 LEU 30 HD1 LEU 30 1.421 -15.789 3.082 219 2HD1 LEU 30 HD1 LEU 30 2.294 -14.730 4.217 220 3HD1 LEU 30 HD1 LEU 30 0.520 -14.851 4.298 221 1HD2 LEU 30 HD2 LEU 30 1.578 -15.171 1.116 222 2HD2 LEU 30 HD2 LEU 30 1.029 -13.593 0.503 223 3HD2 LEU 30 HD2 LEU 30 2.709 -13.797 1.055 224 H ALA 31 H ALA 31 -3.327 -12.355 1.247 225 HA ALA 31 HA ALA 31 -5.082 -14.411 2.134 226 1HB ALA 31 HB1 ALA 31 -5.049 -13.953 4.337 227 2HB ALA 31 HB2 ALA 31 -4.013 -12.528 4.088 228 3HB ALA 31 HB3 ALA 31 -5.781 -12.379 3.945 229 1HN AIB 32 1HN AIB 32 -6.299 -14.093 0.284 230 1HB1 AIB 32 1HB1 AIB 32 -6.849 -10.430 -1.236 231 2HB1 AIB 32 2HB1 AIB 32 -6.804 -11.718 -2.469 232 3HB1 AIB 32 3HB1 AIB 32 -5.496 -11.595 -1.280 233 1HB2 AIB 32 1HB2 AIB 32 -8.080 -11.547 1.472 234 2HB2 AIB 32 2HB2 AIB 32 -9.395 -12.007 0.379 235 3HB2 AIB 32 3HB2 AIB 32 -8.433 -10.544 0.039 236 H ARG 33 H ARG 33 -6.571 -14.744 -1.355 237 HA ARG 33 HA ARG 33 -9.220 -15.221 -2.466 238 1HB ARG 33 HB1 ARG 33 -6.775 -16.480 -3.721 239 2HB ARG 33 HB2 ARG 33 -8.303 -16.063 -4.470 240 1HG ARG 33 HG1 ARG 33 -7.502 -13.563 -3.782 241 2HG ARG 33 HG2 ARG 33 -5.924 -14.314 -3.902 242 1HD ARG 33 HD1 ARG 33 -6.269 -13.575 -6.110 243 2HD ARG 33 HD2 ARG 33 -6.789 -15.245 -6.212 244 HE ARG 33 HE ARG 33 -9.130 -13.991 -5.551 245 1HH1 ARG 33 HH1 ARG 33 -10.079 -12.421 -8.519 246 2HH1 ARG 33 HH1 ARG 33 -10.623 -13.038 -6.995 247 1HH2 ARG 33 HH2 ARG 33 -7.835 -12.562 -9.095 248 2HH2 ARG 33 HH2 ARG 33 -6.704 -13.285 -8.000 249 H GLN 34 H GLN 34 -6.213 -16.517 -0.993 250 HA GLN 34 HA GLN 34 -6.984 -19.184 -0.984 251 1HB GLN 34 HB1 GLN 34 -4.662 -18.130 -0.542 252 2HB GLN 34 HB2 GLN 34 -5.205 -17.869 1.103 253 1HG GLN 34 HG1 GLN 34 -4.615 -20.002 1.589 254 2HG GLN 34 HG2 GLN 34 -5.896 -20.561 0.533 255 1HE2 GLN 34 1HE2 GLN 34 -4.582 -22.373 0.072 256 2HE2 GLN 34 2HE2 GLN 34 -3.295 -22.296 -1.085 257 H ARG 35 H ARG 35 -8.034 -16.431 0.891 258 HA ARG 35 HA ARG 35 -8.982 -18.106 3.024 259 1HB ARG 35 HB1 ARG 35 -8.408 -15.263 2.643 260 2HB ARG 35 HB2 ARG 35 -10.021 -15.458 3.300 261 1HG ARG 35 HG1 ARG 35 -7.786 -17.081 4.519 262 2HG ARG 35 HG2 ARG 35 -7.860 -15.370 4.892 263 1HD ARG 35 HD1 ARG 35 -9.964 -15.553 5.968 264 2HD ARG 35 HD2 ARG 35 -10.380 -17.036 5.132 265 HE ARG 35 HE ARG 35 -8.029 -17.243 6.898 266 1HH1 ARG 35 HH1 ARG 35 -9.734 -19.302 9.140 267 2HH1 ARG 35 HH1 ARG 35 -8.191 -18.667 8.677 268 1HH2 ARG 35 HH2 ARG 35 -11.638 -18.706 7.953 269 2HH2 ARG 35 HH2 ARG 35 -11.515 -17.627 6.604 270 H TYR 36 H TYR 36 -10.033 -18.439 0.245 271 HA TYR 36 HA TYR 36 -12.842 -18.206 0.907 272 1HB TYR 36 HB1 TYR 36 -12.871 -16.221 -0.346 273 2HB TYR 36 HB2 TYR 36 -11.283 -16.534 -1.016 274 HD1 TYR 36 HD1 TYR 36 -14.632 -18.228 -1.281 275 HD2 TYR 36 HD2 TYR 36 -11.285 -16.522 -3.328 276 HE1 TYR 36 HE1 TYR 36 -15.686 -18.825 -3.517 277 HE2 TYR 36 HE2 TYR 36 -12.350 -17.124 -5.557 278 HH TYR 36 HH TYR 36 -14.137 -17.857 -6.555 279 1HN NH2 37 HN1 NH2 237 -10.471 -18.929 -1.664 280 2HN NH2 37 HN2 NH2 237 -11.150 -20.450 -2.141 Start of MODEL 5 1 H TYR 1 H TYR 1 -0.506 10.628 -30.932 2 HA TYR 1 HA TYR 1 -1.602 8.513 -29.532 3 1HB TYR 1 HB1 TYR 1 -1.281 11.035 -27.821 4 2HB TYR 1 HB2 TYR 1 -1.753 9.439 -27.273 5 HD1 TYR 1 HD1 TYR 1 0.709 11.646 -26.798 6 HD2 TYR 1 HD2 TYR 1 0.287 7.649 -28.264 7 HE1 TYR 1 HE1 TYR 1 3.118 11.148 -26.157 8 HE2 TYR 1 HE2 TYR 1 2.697 7.165 -27.618 9 HH TYR 1 HH TYR 1 4.845 8.782 -27.342 10 HA PRO 2 HA PRO 2 -4.555 11.285 -31.411 11 1HB PRO 2 HB1 PRO 2 -6.057 9.359 -32.637 12 2HB PRO 2 HB2 PRO 2 -4.707 10.160 -33.414 13 1HG PRO 2 HG1 PRO 2 -4.847 7.425 -32.302 14 2HG PRO 2 HG2 PRO 2 -3.689 8.091 -33.436 15 1HD PRO 2 HD1 PRO 2 -3.267 7.603 -30.641 16 2HD PRO 2 HD2 PRO 2 -2.151 8.374 -31.751 17 H SER 3 H SER 3 -5.205 8.296 -29.703 18 HA SER 3 HA SER 3 -7.762 8.529 -29.101 19 1HB SER 3 HB1 SER 3 -5.951 6.879 -28.217 20 2HB SER 3 HB2 SER 3 -5.745 8.004 -26.889 21 HG SER 3 HG SER 3 -8.427 7.352 -27.424 22 H LYS 4 H LYS 4 -5.115 10.159 -27.200 23 HA LYS 4 HA LYS 4 -5.089 12.027 -26.023 24 1HB LYS 4 HB1 LYS 4 -5.821 13.558 -27.491 25 2HB LYS 4 HB2 LYS 4 -7.152 12.556 -28.035 26 1HG LYS 4 HG1 LYS 4 -8.605 13.314 -26.323 27 2HG LYS 4 HG2 LYS 4 -7.286 13.823 -25.287 28 1HD LYS 4 HD1 LYS 4 -7.495 15.925 -26.105 29 2HD LYS 4 HD2 LYS 4 -6.986 15.338 -27.676 30 1HE LYS 4 HE1 LYS 4 -9.179 15.150 -28.482 31 2HE LYS 4 HE2 LYS 4 -9.860 14.883 -26.889 32 1HZ LYS 4 HZ1 LYS 4 -9.698 17.259 -28.246 33 2HZ LYS 4 HZ2 LYS 4 -10.230 17.031 -26.719 34 3HZ LYS 4 HZ3 LYS 4 -8.664 17.409 -26.990 35 HA PRO 5 HA PRO 5 -7.655 10.252 -22.862 36 1HB PRO 5 HB1 PRO 5 -5.787 10.337 -20.870 37 2HB PRO 5 HB2 PRO 5 -5.992 8.959 -21.932 38 1HG PRO 5 HG1 PRO 5 -3.865 11.012 -21.950 39 2HG PRO 5 HG2 PRO 5 -3.867 9.427 -22.697 40 1HD PRO 5 HD1 PRO 5 -4.247 11.946 -24.014 41 2HD PRO 5 HD2 PRO 5 -4.364 10.356 -24.741 42 H ASP 6 H ASP 6 -5.590 13.068 -22.579 43 HA ASP 6 HA ASP 6 -5.992 15.054 -21.801 44 1HB ASP 6 HB1 ASP 6 -8.270 14.672 -22.984 45 2HB ASP 6 HB2 ASP 6 -8.920 14.314 -21.397 46 H ASN 7 H ASN 7 -5.452 15.729 -19.708 47 HA ASN 7 HA ASN 7 -6.972 15.193 -17.487 48 1HB ASN 7 HB1 ASN 7 -5.607 13.543 -16.265 49 2HB ASN 7 HB2 ASN 7 -6.127 12.835 -17.782 50 1HD2 ASN 7 HD2 ASN 7 -3.697 12.725 -15.836 51 2HD2 ASN 7 HD2 ASN 7 -2.320 12.687 -16.886 52 HA PRO 8 HA PRO 8 -4.058 18.204 -16.188 53 1HB PRO 8 HB1 PRO 8 -4.525 18.309 -13.498 54 2HB PRO 8 HB2 PRO 8 -5.538 19.115 -14.678 55 1HG PRO 8 HG1 PRO 8 -6.082 16.645 -13.147 56 2HG PRO 8 HG2 PRO 8 -7.213 17.686 -13.989 57 1HD PRO 8 HD1 PRO 8 -6.231 15.142 -14.879 58 2HD PRO 8 HD2 PRO 8 -7.270 16.235 -15.772 59 H GLY 9 H GLY 9 -2.381 18.684 -14.243 60 1HA GLY 9 HA1 GLY 9 -1.066 16.322 -13.319 61 2HA GLY 9 HA2 GLY 9 -0.250 17.013 -14.707 62 H GLU 10 H GLU 10 -1.980 18.424 -11.829 63 HA GLU 10 HA GLU 10 0.163 20.332 -11.612 64 1HB GLU 10 HB1 GLU 10 -2.168 20.231 -9.699 65 2HB GLU 10 HB2 GLU 10 -1.303 21.626 -10.313 66 1HG GLU 10 HG1 GLU 10 -2.296 20.638 -12.665 67 2HG GLU 10 HG2 GLU 10 -3.538 20.072 -11.565 68 H ASP 11 H ASP 11 -1.601 18.039 -9.398 69 HA ASP 11 HA ASP 11 0.743 18.093 -7.698 70 1HB ASP 11 HB1 ASP 11 -2.024 16.874 -7.255 71 2HB ASP 11 HB2 ASP 11 -0.745 16.914 -6.057 72 H ALA 12 H ALA 12 -1.690 15.758 -9.098 73 HA ALA 12 HA ALA 12 -1.496 13.694 -9.871 74 1HB ALA 12 HB1 ALA 12 0.836 14.969 -10.708 75 2HB ALA 12 HB2 ALA 12 1.430 13.474 -9.946 76 3HB ALA 12 HB3 ALA 12 0.246 13.388 -11.273 77 HA PRO 13 HA PRO 13 -0.424 12.339 -5.669 78 1HB PRO 13 HB1 PRO 13 -2.938 11.683 -4.822 79 2HB PRO 13 HB2 PRO 13 -2.190 13.232 -4.493 80 1HG PRO 13 HG1 PRO 13 -4.313 12.577 -6.443 81 2HG PRO 13 HG2 PRO 13 -3.857 14.143 -5.801 82 1HD PRO 13 HD1 PRO 13 -3.217 13.099 -8.395 83 2HD PRO 13 HD2 PRO 13 -2.665 14.614 -7.710 84 H ALA 14 H ALA 14 -2.152 11.032 -8.309 85 HA ALA 14 HA ALA 14 -2.133 8.362 -7.289 86 1HB ALA 14 HB1 ALA 14 -3.308 7.857 -9.215 87 2HB ALA 14 HB2 ALA 14 -3.646 9.601 -9.103 88 3HB ALA 14 HB3 ALA 14 -2.385 9.008 -10.211 89 H GLU 15 H GLU 15 0.386 9.149 -6.791 90 HA GLU 15 HA GLU 15 1.856 7.717 -8.847 91 1HB GLU 15 HB1 GLU 15 2.178 10.223 -9.094 92 2HB GLU 15 HB2 GLU 15 2.887 10.246 -7.492 93 1HG GLU 15 HG1 GLU 15 4.655 8.658 -8.225 94 2HG GLU 15 HG2 GLU 15 3.928 8.558 -9.816 95 H ASP 16 H ASP 16 1.462 8.816 -5.474 96 HA ASP 16 HA ASP 16 3.535 6.942 -4.688 97 1HB ASP 16 HB1 ASP 16 3.366 9.426 -3.860 98 2HB ASP 16 HB2 ASP 16 2.045 8.860 -2.857 99 H LEU 17 H LEU 17 0.063 7.707 -4.601 100 HA LEU 17 HA LEU 17 -0.610 5.921 -2.504 101 1HB LEU 17 HB1 LEU 17 -1.869 7.906 -4.060 102 2HB LEU 17 HB2 LEU 17 -2.764 6.427 -4.347 103 HG LEU 17 HG LEU 17 -3.740 7.718 -2.526 104 1HD1 LEU 17 HD1 LEU 17 -4.175 5.949 -1.101 105 2HD1 LEU 17 HD1 LEU 17 -3.605 5.122 -2.570 106 3HD1 LEU 17 HD1 LEU 17 -2.508 5.329 -1.184 107 1HD2 LEU 17 HD2 LEU 17 -1.642 7.235 -0.543 108 2HD2 LEU 17 HD2 LEU 17 -1.147 8.352 -1.838 109 3HD2 LEU 17 HD2 LEU 17 -2.603 8.697 -0.873 110 H ALA 18 H ALA 18 -0.408 5.714 -6.089 111 HA ALA 18 HA ALA 18 -1.619 3.225 -6.360 112 1HB ALA 18 HB1 ALA 18 -0.524 5.142 -8.012 113 2HB ALA 18 HB2 ALA 18 0.636 3.802 -8.179 114 3HB ALA 18 HB3 ALA 18 -1.087 3.539 -8.541 115 H ARG 19 H ARG 19 1.823 4.167 -5.760 116 HA ARG 19 HA ARG 19 2.862 1.641 -5.937 117 1HB ARG 19 HB1 ARG 19 3.735 3.964 -4.146 118 2HB ARG 19 HB2 ARG 19 4.730 2.566 -4.499 119 1HG ARG 19 HG1 ARG 19 3.593 3.950 -6.892 120 2HG ARG 19 HG2 ARG 19 4.755 4.886 -5.974 121 1HD ARG 19 HD1 ARG 19 5.852 2.252 -6.172 122 2HD ARG 19 HD2 ARG 19 5.233 2.637 -7.766 123 HE ARG 19 HE ARG 19 6.737 4.853 -6.607 124 1HH1 ARG 19 HH1 ARG 19 9.549 4.275 -8.591 125 2HH1 ARG 19 HH1 ARG 19 8.754 5.394 -7.535 126 1HH2 ARG 19 HH2 ARG 19 8.567 2.226 -9.062 127 2HH2 ARG 19 HH2 ARG 19 7.038 1.816 -8.359 128 H TYR 20 H TYR 20 0.862 3.139 -3.470 129 HA TYR 20 HA TYR 20 1.616 1.181 -1.457 130 1HB TYR 20 HB1 TYR 20 1.210 3.362 -0.556 131 2HB TYR 20 HB2 TYR 20 -0.002 3.733 -1.766 132 HD1 TYR 20 HD1 TYR 20 -2.323 3.345 -1.354 133 HD2 TYR 20 HD2 TYR 20 0.610 1.858 1.382 134 HE1 TYR 20 HE1 TYR 20 -4.154 2.808 0.326 135 HE2 TYR 20 HE2 TYR 20 -1.230 1.326 3.054 136 HH TYR 20 HH TYR 20 -4.517 1.340 2.180 137 H TYR 21 H TYR 21 -0.583 1.496 -4.089 138 HA TYR 21 HA TYR 21 -2.538 -0.266 -2.810 139 1HB TYR 21 HB1 TYR 21 -2.408 1.861 -4.862 140 2HB TYR 21 HB2 TYR 21 -3.160 0.429 -5.537 141 HD1 TYR 21 HD1 TYR 21 -5.234 -0.515 -4.445 142 HD2 TYR 21 HD2 TYR 21 -3.575 3.266 -3.323 143 HE1 TYR 21 HE1 TYR 21 -7.435 0.135 -3.352 144 HE2 TYR 21 HE2 TYR 21 -5.782 3.903 -2.233 145 HH TYR 21 HH TYR 21 -7.701 2.761 -1.257 146 H SER 22 H SER 22 0.005 -0.126 -5.284 147 HA SER 22 HA SER 22 -0.848 -2.517 -6.545 148 1HB SER 22 HB1 SER 22 0.369 -0.975 -7.905 149 2HB SER 22 HB2 SER 22 1.639 -0.786 -6.713 150 HG SER 22 HG SER 22 1.114 -3.339 -7.949 151 H ALA 23 H ALA 23 1.426 -1.562 -3.954 152 HA ALA 23 HA ALA 23 2.625 -4.171 -3.824 153 1HB ALA 23 HB1 ALA 23 2.784 -1.686 -2.073 154 2HB ALA 23 HB2 ALA 23 3.745 -3.161 -1.812 155 3HB ALA 23 HB3 ALA 23 3.958 -2.212 -3.303 156 H LEU 24 H LEU 24 -0.147 -2.459 -2.473 157 HA LEU 24 HA LEU 24 -0.436 -4.052 -0.164 158 1HB LEU 24 HB1 LEU 24 -1.777 -2.347 0.223 159 2HB LEU 24 HB2 LEU 24 -1.766 -1.867 -1.463 160 HG LEU 24 HG LEU 24 -4.035 -2.210 -0.724 161 1HD1 LEU 24 HD1 LEU 24 -2.849 -3.560 -2.935 162 2HD1 LEU 24 HD1 LEU 24 -4.152 -4.587 -2.290 163 3HD1 LEU 24 HD1 LEU 24 -4.497 -2.909 -2.774 164 1HD2 LEU 24 HD2 LEU 24 -4.506 -3.694 0.855 165 2HD2 LEU 24 HD2 LEU 24 -4.279 -4.992 -0.342 166 3HD2 LEU 24 HD2 LEU 24 -2.912 -4.465 0.669 167 H ARG 25 H ARG 25 -0.785 -4.714 -3.522 168 HA ARG 25 HA ARG 25 -2.853 -6.638 -3.156 169 1HB ARG 25 HB1 ARG 25 -1.221 -5.577 -5.446 170 2HB ARG 25 HB2 ARG 25 -1.846 -7.203 -5.639 171 1HG ARG 25 HG1 ARG 25 -4.103 -5.999 -4.710 172 2HG ARG 25 HG2 ARG 25 -3.337 -4.602 -5.441 173 1HD ARG 25 HD1 ARG 25 -3.393 -5.533 -7.615 174 2HD ARG 25 HD2 ARG 25 -3.472 -7.180 -7.024 175 HE ARG 25 HE ARG 25 -5.813 -5.767 -6.149 176 1HH1 ARG 25 HH1 ARG 25 -7.866 -6.784 -8.781 177 2HH1 ARG 25 HH1 ARG 25 -7.820 -6.107 -7.187 178 1HH2 ARG 25 HH2 ARG 25 -5.890 -7.346 -9.861 179 2HH2 ARG 25 HH2 ARG 25 -4.369 -7.089 -9.073 180 H HIS 26 H HIS 26 0.619 -6.761 -4.275 181 HA HIS 26 HA HIS 26 0.843 -9.513 -4.158 182 1HB HIS 26 HB1 HIS 26 2.430 -7.395 -4.920 183 2HB HIS 26 HB2 HIS 26 3.291 -8.007 -3.521 184 HD1 HIS 26 HD1 HIS 26 5.044 -8.517 -5.648 185 HD2 HIS 26 HD2 HIS 26 1.688 -10.994 -5.208 186 HE1 HIS 26 HE1 HIS 26 5.549 -10.644 -6.962 187 H TYR 27 H TYR 27 0.714 -7.106 -1.620 188 HA TYR 27 HA TYR 27 2.007 -8.795 0.328 189 1HB TYR 27 HB1 TYR 27 2.254 -6.433 0.677 190 2HB TYR 27 HB2 TYR 27 0.642 -6.087 0.083 191 HD1 TYR 27 HD1 TYR 27 -0.366 -4.846 1.795 192 HD2 TYR 27 HD2 TYR 27 1.687 -8.470 2.774 193 HE1 TYR 27 HE1 TYR 27 -1.208 -4.685 4.189 194 HE2 TYR 27 HE2 TYR 27 0.838 -8.297 5.165 195 HH TYR 27 HH TYR 27 -0.659 -5.442 6.342 196 H ILE 28 H ILE 28 -1.333 -7.722 -0.534 197 HA ILE 28 HA ILE 28 -2.435 -9.267 1.636 198 HB ILE 28 HB ILE 28 -3.588 -7.527 -0.532 199 1HG1 ILE 28 1HG1 ILE 28 -2.545 -6.328 1.291 200 2HG1 ILE 28 2HG1 ILE 28 -4.285 -6.138 1.376 201 1HG2 ILE 28 1HG2 ILE 28 -5.783 -7.888 0.735 202 2HG2 ILE 28 2HG2 ILE 28 -5.242 -9.176 -0.367 203 3HG2 ILE 28 3HG2 ILE 28 -5.020 -9.357 1.390 204 1HD1 ILE 28 1HD1 ILE 28 -3.775 -8.464 2.890 205 2HD1 ILE 28 2HD1 ILE 28 -2.463 -7.341 3.322 206 3HD1 ILE 28 3HD1 ILE 28 -4.161 -6.846 3.525 207 H ASN 29 H ASN 29 -1.164 -9.950 -1.417 208 HA ASN 29 HA ASN 29 -3.003 -11.613 -2.544 209 1HB ASN 29 HB1 ASN 29 -0.941 -11.029 -3.717 210 2HB ASN 29 HB2 ASN 29 0.050 -11.746 -2.462 211 1HD2 ASN 29 HD2 ASN 29 -1.588 -12.208 -5.381 212 2HD2 ASN 29 HD2 ASN 29 -1.392 -13.919 -5.565 213 H LEU 30 H LEU 30 -1.200 -11.911 0.426 214 HA LEU 30 HA LEU 30 -1.262 -14.791 0.488 215 1HB LEU 30 HB1 LEU 30 0.463 -14.409 1.798 216 2HB LEU 30 HB2 LEU 30 0.133 -12.688 1.815 217 HG LEU 30 HG LEU 30 -1.541 -13.154 3.684 218 1HD1 LEU 30 HD1 LEU 30 -1.877 -15.198 4.513 219 2HD1 LEU 30 HD1 LEU 30 -1.104 -15.797 3.026 220 3HD1 LEU 30 HD1 LEU 30 -0.140 -15.586 4.507 221 1HD2 LEU 30 HD2 LEU 30 1.400 -13.691 4.182 222 2HD2 LEU 30 HD2 LEU 30 0.614 -12.097 4.082 223 3HD2 LEU 30 HD2 LEU 30 0.205 -13.209 5.410 224 H ALA 31 H ALA 31 -3.425 -12.179 1.099 225 HA ALA 31 HA ALA 31 -5.215 -14.057 2.451 226 1HB ALA 31 HB1 ALA 31 -4.757 -12.888 4.358 227 2HB ALA 31 HB2 ALA 31 -4.140 -11.475 3.469 228 3HB ALA 31 HB3 ALA 31 -5.894 -11.713 3.656 229 1HN AIB 32 1HN AIB 32 -6.901 -14.283 1.064 230 1HB1 AIB 32 1HB1 AIB 32 -7.258 -14.031 -1.968 231 2HB1 AIB 32 2HB1 AIB 32 -6.377 -12.502 -1.711 232 3HB1 AIB 32 3HB1 AIB 32 -8.016 -12.468 -2.383 233 1HB2 AIB 32 1HB2 AIB 32 -8.552 -11.364 1.226 234 2HB2 AIB 32 2HB2 AIB 32 -9.457 -11.309 -0.295 235 3HB2 AIB 32 3HB2 AIB 32 -7.763 -10.751 -0.253 236 H ARG 33 H ARG 33 -7.876 -15.548 0.116 237 HA ARG 33 HA ARG 33 -10.787 -15.622 0.121 238 1HB ARG 33 HB1 ARG 33 -9.177 -18.032 -0.738 239 2HB ARG 33 HB2 ARG 33 -10.795 -17.561 -1.221 240 1HG ARG 33 HG1 ARG 33 -8.270 -16.044 -2.031 241 2HG ARG 33 HG2 ARG 33 -9.036 -17.265 -3.029 242 1HD ARG 33 HD1 ARG 33 -10.417 -14.721 -2.041 243 2HD ARG 33 HD2 ARG 33 -9.729 -14.921 -3.640 244 HE ARG 33 HE ARG 33 -12.214 -16.137 -2.634 245 1HH1 ARG 33 HH1 ARG 33 -12.895 -17.629 -5.714 246 2HH1 ARG 33 HH1 ARG 33 -13.526 -17.234 -4.150 247 1HH2 ARG 33 HH2 ARG 33 -10.719 -17.044 -6.270 248 2HH2 ARG 33 HH2 ARG 33 -9.726 -16.212 -5.121 249 H GLN 34 H GLN 34 -7.675 -16.920 1.347 250 HA GLN 34 HA GLN 34 -8.797 -18.844 3.023 251 1HB GLN 34 HB1 GLN 34 -6.333 -18.510 2.213 252 2HB GLN 34 HB2 GLN 34 -6.174 -17.422 3.577 253 1HG GLN 34 HG1 GLN 34 -7.051 -19.311 5.069 254 2HG GLN 34 HG2 GLN 34 -6.948 -20.373 3.678 255 1HE2 GLN 34 1HE2 GLN 34 -5.450 -21.639 4.822 256 2HE2 GLN 34 2HE2 GLN 34 -3.782 -21.192 4.967 257 H ARG 35 H ARG 35 -8.158 -15.349 3.358 258 HA ARG 35 HA ARG 35 -8.842 -15.485 6.150 259 1HB ARG 35 HB1 ARG 35 -7.276 -13.724 4.493 260 2HB ARG 35 HB2 ARG 35 -8.579 -12.766 5.167 261 1HG ARG 35 HG1 ARG 35 -6.907 -14.618 6.911 262 2HG ARG 35 HG2 ARG 35 -6.389 -12.982 6.560 263 1HD ARG 35 HD1 ARG 35 -9.105 -12.711 7.319 264 2HD ARG 35 HD2 ARG 35 -8.460 -13.908 8.425 265 HE ARG 35 HE ARG 35 -6.687 -11.605 8.102 266 1HH1 ARG 35 HH1 ARG 35 -7.504 -10.280 11.225 267 2HH1 ARG 35 HH1 ARG 35 -6.403 -10.211 9.889 268 1HH2 ARG 35 HH2 ARG 35 -9.267 -11.789 11.198 269 2HH2 ARG 35 HH2 ARG 35 -9.482 -12.846 9.843 270 H TYR 36 H TYR 36 -10.853 -16.168 4.062 271 HA TYR 36 HA TYR 36 -12.834 -14.133 4.777 272 1HB TYR 36 HB1 TYR 36 -12.608 -13.516 2.523 273 2HB TYR 36 HB2 TYR 36 -11.715 -14.974 2.138 274 HD1 TYR 36 HD1 TYR 36 -12.686 -16.381 0.580 275 HD2 TYR 36 HD2 TYR 36 -15.230 -14.057 3.115 276 HE1 TYR 36 HE1 TYR 36 -14.732 -17.316 -0.605 277 HE2 TYR 36 HE2 TYR 36 -17.268 -14.999 1.922 278 HH TYR 36 HH TYR 36 -16.987 -16.765 -1.001 279 1HN NH2 37 HN1 NH2 237 -12.268 -17.289 3.201 280 2HN NH2 37 HN2 NH2 237 -13.619 -18.111 3.909 Start of MODEL 6 1 H TYR 1 H TYR 1 -19.924 17.645 -16.956 2 HA TYR 1 HA TYR 1 -17.700 16.627 -16.579 3 1HB TYR 1 HB1 TYR 1 -16.936 19.569 -16.189 4 2HB TYR 1 HB2 TYR 1 -15.846 18.209 -16.369 5 HD1 TYR 1 HD1 TYR 1 -15.811 17.015 -18.677 6 HD2 TYR 1 HD2 TYR 1 -17.493 20.897 -18.045 7 HE1 TYR 1 HE1 TYR 1 -15.609 17.515 -21.162 8 HE2 TYR 1 HE2 TYR 1 -17.287 21.384 -20.532 9 HH TYR 1 HH TYR 1 -15.692 20.485 -22.414 10 HA PRO 2 HA PRO 2 -18.723 17.118 -12.405 11 1HB PRO 2 HB1 PRO 2 -16.564 16.008 -11.151 12 2HB PRO 2 HB2 PRO 2 -17.851 15.057 -11.863 13 1HG PRO 2 HG1 PRO 2 -15.115 15.526 -12.878 14 2HG PRO 2 HG2 PRO 2 -16.253 14.272 -13.328 15 1HD PRO 2 HD1 PRO 2 -15.612 16.628 -14.833 16 2HD PRO 2 HD2 PRO 2 -16.832 15.433 -15.226 17 H SER 3 H SER 3 -18.948 19.341 -12.184 18 HA SER 3 HA SER 3 -18.399 21.327 -11.493 19 1HB SER 3 HB1 SER 3 -17.995 19.835 -9.391 20 2HB SER 3 HB2 SER 3 -16.287 20.088 -9.694 21 HG SER 3 HG SER 3 -17.800 22.452 -9.764 22 H LYS 4 H LYS 4 -16.358 22.920 -11.029 23 HA LYS 4 HA LYS 4 -14.729 22.658 -13.385 24 1HB LYS 4 HB1 LYS 4 -14.430 24.868 -11.377 25 2HB LYS 4 HB2 LYS 4 -14.254 24.912 -13.120 26 1HG LYS 4 HG1 LYS 4 -16.354 25.834 -13.063 27 2HG LYS 4 HG2 LYS 4 -16.879 24.165 -12.955 28 1HD LYS 4 HD1 LYS 4 -17.730 24.518 -10.884 29 2HD LYS 4 HD2 LYS 4 -16.172 25.063 -10.296 30 1HE LYS 4 HE1 LYS 4 -16.748 27.277 -10.443 31 2HE LYS 4 HE2 LYS 4 -17.527 27.073 -11.999 32 1HZ LYS 4 HZ1 LYS 4 -19.041 27.629 -10.164 33 2HZ LYS 4 HZ2 LYS 4 -19.452 26.247 -10.933 34 3HZ LYS 4 HZ3 LYS 4 -18.726 26.184 -9.471 35 HA PRO 5 HA PRO 5 -11.188 21.166 -11.425 36 1HB PRO 5 HB1 PRO 5 -9.169 22.248 -12.915 37 2HB PRO 5 HB2 PRO 5 -10.098 20.854 -13.429 38 1HG PRO 5 HG1 PRO 5 -10.262 23.646 -14.386 39 2HG PRO 5 HG2 PRO 5 -10.854 22.186 -15.154 40 1HD PRO 5 HD1 PRO 5 -12.416 24.144 -13.756 41 2HD PRO 5 HD2 PRO 5 -12.988 22.628 -14.423 42 H ASP 6 H ASP 6 -10.473 24.539 -12.232 43 HA ASP 6 HA ASP 6 -9.617 26.141 -11.049 44 1HB ASP 6 HB1 ASP 6 -10.613 24.788 -8.512 45 2HB ASP 6 HB2 ASP 6 -10.424 26.505 -8.805 46 H ASN 7 H ASN 7 -8.052 26.634 -9.022 47 HA ASN 7 HA ASN 7 -5.748 25.399 -9.310 48 1HB ASN 7 HB1 ASN 7 -7.039 26.611 -6.840 49 2HB ASN 7 HB2 ASN 7 -5.434 25.921 -6.710 50 1HD2 ASN 7 HD2 ASN 7 -5.946 28.587 -6.255 51 2HD2 ASN 7 HD2 ASN 7 -5.195 29.567 -7.470 52 HA PRO 8 HA PRO 8 -6.924 21.382 -7.706 53 1HB PRO 8 HB1 PRO 8 -5.052 19.929 -9.068 54 2HB PRO 8 HB2 PRO 8 -6.640 20.292 -9.715 55 1HG PRO 8 HG1 PRO 8 -4.031 21.487 -10.426 56 2HG PRO 8 HG2 PRO 8 -5.534 21.517 -11.326 57 1HD PRO 8 HD1 PRO 8 -4.414 23.661 -9.785 58 2HD PRO 8 HD2 PRO 8 -5.971 23.650 -10.589 59 H GLY 9 H GLY 9 -3.473 22.004 -8.194 60 1HA GLY 9 HA1 GLY 9 -2.638 22.451 -5.703 61 2HA GLY 9 HA2 GLY 9 -2.911 20.720 -5.646 62 H GLU 10 H GLU 10 -2.189 19.926 -8.271 63 HA GLU 10 HA GLU 10 -0.495 19.465 -9.553 64 1HB GLU 10 HB1 GLU 10 1.201 21.762 -8.583 65 2HB GLU 10 HB2 GLU 10 1.041 21.114 -10.203 66 1HG GLU 10 HG1 GLU 10 -1.536 21.945 -9.782 67 2HG GLU 10 HG2 GLU 10 -0.686 23.095 -8.770 68 H ASP 11 H ASP 11 -0.472 17.730 -7.726 69 HA ASP 11 HA ASP 11 2.213 17.771 -6.604 70 1HB ASP 11 HB1 ASP 11 -0.407 17.409 -5.251 71 2HB ASP 11 HB2 ASP 11 0.752 16.152 -4.868 72 H ALA 12 H ALA 12 -0.758 15.810 -7.369 73 HA ALA 12 HA ALA 12 -1.014 13.861 -8.394 74 1HB ALA 12 HB1 ALA 12 0.999 14.890 -9.785 75 2HB ALA 12 HB2 ALA 12 1.920 13.586 -8.998 76 3HB ALA 12 HB3 ALA 12 0.510 13.194 -10.011 77 HA PRO 13 HA PRO 13 0.645 11.942 -4.617 78 1HB PRO 13 HB1 PRO 13 -1.714 11.587 -3.286 79 2HB PRO 13 HB2 PRO 13 -0.662 12.962 -3.020 80 1HG PRO 13 HG1 PRO 13 -3.221 12.845 -4.495 81 2HG PRO 13 HG2 PRO 13 -2.383 14.247 -3.861 82 1HD PRO 13 HD1 PRO 13 -2.479 13.400 -6.599 83 2HD PRO 13 HD2 PRO 13 -1.548 14.733 -5.947 84 H ALA 14 H ALA 14 -1.267 11.177 -7.183 85 HA ALA 14 HA ALA 14 -2.137 8.617 -6.443 86 1HB ALA 14 HB1 ALA 14 -1.424 9.692 -9.201 87 2HB ALA 14 HB2 ALA 14 -2.506 8.327 -8.835 88 3HB ALA 14 HB3 ALA 14 -2.970 9.981 -8.368 89 H GLU 15 H GLU 15 1.012 9.905 -6.919 90 HA GLU 15 HA GLU 15 2.137 7.514 -7.970 91 1HB GLU 15 HB1 GLU 15 3.104 9.753 -8.446 92 2HB GLU 15 HB2 GLU 15 3.456 9.977 -6.744 93 1HG GLU 15 HG1 GLU 15 5.207 8.426 -6.749 94 2HG GLU 15 HG2 GLU 15 4.512 7.477 -8.048 95 H ASP 16 H ASP 16 1.212 8.724 -4.840 96 HA ASP 16 HA ASP 16 3.106 7.081 -3.455 97 1HB ASP 16 HB1 ASP 16 0.683 8.527 -2.302 98 2HB ASP 16 HB2 ASP 16 2.108 7.999 -1.431 99 H LEU 17 H LEU 17 -0.513 7.402 -3.786 100 HA LEU 17 HA LEU 17 -1.182 5.114 -2.377 101 1HB LEU 17 HB1 LEU 17 -2.489 7.157 -3.708 102 2HB LEU 17 HB2 LEU 17 -2.948 5.731 -4.617 103 HG LEU 17 HG LEU 17 -3.265 4.961 -1.949 104 1HD1 LEU 17 HD1 LEU 17 -3.888 6.666 -0.662 105 2HD1 LEU 17 HD1 LEU 17 -3.201 7.737 -1.907 106 3HD1 LEU 17 HD1 LEU 17 -4.937 7.344 -1.931 107 1HD2 LEU 17 HD2 LEU 17 -5.637 4.914 -2.482 108 2HD2 LEU 17 HD2 LEU 17 -5.366 5.977 -3.884 109 3HD2 LEU 17 HD2 LEU 17 -4.675 4.336 -3.864 110 H ALA 18 H ALA 18 0.075 5.568 -5.658 111 HA ALA 18 HA ALA 18 -0.730 3.203 -6.822 112 1HB ALA 18 HB1 ALA 18 1.130 5.339 -7.305 113 2HB ALA 18 HB2 ALA 18 1.950 3.792 -7.626 114 3HB ALA 18 HB3 ALA 18 0.433 4.188 -8.469 115 H ARG 19 H ARG 19 2.344 3.881 -4.998 116 HA ARG 19 HA ARG 19 3.259 1.303 -5.098 117 1HB ARG 19 HB1 ARG 19 3.688 3.308 -2.826 118 2HB ARG 19 HB2 ARG 19 4.738 1.962 -3.219 119 1HG ARG 19 HG1 ARG 19 4.230 3.697 -5.554 120 2HG ARG 19 HG2 ARG 19 4.954 4.575 -4.221 121 1HD ARG 19 HD1 ARG 19 6.722 2.736 -4.068 122 2HD ARG 19 HD2 ARG 19 6.047 2.038 -5.527 123 HE ARG 19 HE ARG 19 6.519 4.768 -6.101 124 1HH1 ARG 19 HH1 ARG 19 9.825 4.495 -7.186 125 2HH1 ARG 19 HH1 ARG 19 8.397 5.476 -7.194 126 1HH2 ARG 19 HH2 ARG 19 9.830 2.462 -6.065 127 2HH2 ARG 19 HH2 ARG 19 8.407 1.926 -5.237 128 H TYR 20 H TYR 20 0.691 2.758 -3.200 129 HA TYR 20 HA TYR 20 0.676 0.500 -1.338 130 1HB TYR 20 HB1 TYR 20 -1.271 2.836 -1.369 131 2HB TYR 20 HB2 TYR 20 -0.579 2.027 0.023 132 HD1 TYR 20 HD1 TYR 20 2.359 2.248 -1.138 133 HD2 TYR 20 HD2 TYR 20 -0.802 5.056 -0.483 134 HE1 TYR 20 HE1 TYR 20 4.062 4.121 -0.900 135 HE2 TYR 20 HE2 TYR 20 0.911 6.919 -0.248 136 HH TYR 20 HH TYR 20 3.733 6.682 0.519 137 H TYR 21 H TYR 21 -0.233 0.722 -4.374 138 HA TYR 21 HA TYR 21 -2.840 -0.539 -3.867 139 1HB TYR 21 HB1 TYR 21 -1.976 1.808 -5.477 140 2HB TYR 21 HB2 TYR 21 -2.764 0.612 -6.486 141 HD1 TYR 21 HD1 TYR 21 -3.492 1.600 -2.945 142 HD2 TYR 21 HD2 TYR 21 -4.866 1.496 -6.996 143 HE1 TYR 21 HE1 TYR 21 -5.766 2.464 -2.204 144 HE2 TYR 21 HE2 TYR 21 -7.134 2.360 -6.241 145 HH TYR 21 HH TYR 21 -8.462 2.258 -4.058 146 H SER 22 H SER 22 0.037 -0.169 -6.016 147 HA SER 22 HA SER 22 -0.712 -2.487 -7.494 148 1HB SER 22 HB1 SER 22 0.894 -0.268 -7.985 149 2HB SER 22 HB2 SER 22 2.080 -1.536 -7.749 150 HG SER 22 HG SER 22 -0.189 -1.802 -9.527 151 H ALA 23 H ALA 23 1.226 -1.666 -4.662 152 HA ALA 23 HA ALA 23 2.469 -4.317 -4.703 153 1HB ALA 23 HB1 ALA 23 3.741 -2.060 -4.370 154 2HB ALA 23 HB2 ALA 23 3.056 -2.104 -2.728 155 3HB ALA 23 HB3 ALA 23 4.114 -3.422 -3.287 156 H LEU 24 H LEU 24 -0.220 -2.570 -3.475 157 HA LEU 24 HA LEU 24 -0.348 -3.860 -0.934 158 1HB LEU 24 HB1 LEU 24 -1.704 -2.165 -0.591 159 2HB LEU 24 HB2 LEU 24 -1.637 -1.729 -2.287 160 HG LEU 24 HG LEU 24 -3.931 -1.950 -1.642 161 1HD1 LEU 24 HD1 LEU 24 -4.429 -2.831 -3.615 162 2HD1 LEU 24 HD1 LEU 24 -2.757 -3.429 -3.736 163 3HD1 LEU 24 HD1 LEU 24 -4.024 -4.465 -3.037 164 1HD2 LEU 24 HD2 LEU 24 -4.559 -3.305 -0.006 165 2HD2 LEU 24 HD2 LEU 24 -4.273 -4.705 -1.067 166 3HD2 LEU 24 HD2 LEU 24 -2.967 -4.102 -0.018 167 H ARG 25 H ARG 25 -0.896 -4.829 -4.187 168 HA ARG 25 HA ARG 25 -2.993 -6.640 -3.552 169 1HB ARG 25 HB1 ARG 25 -2.627 -5.545 -5.834 170 2HB ARG 25 HB2 ARG 25 -1.215 -6.561 -6.041 171 1HG ARG 25 HG1 ARG 25 -2.505 -8.300 -6.712 172 2HG ARG 25 HG2 ARG 25 -3.424 -8.242 -5.222 173 1HD ARG 25 HD1 ARG 25 -5.202 -7.570 -6.476 174 2HD ARG 25 HD2 ARG 25 -4.393 -6.024 -6.641 175 HE ARG 25 HE ARG 25 -3.232 -7.665 -8.600 176 1HH1 ARG 25 HH1 ARG 25 -5.560 -7.240 -11.165 177 2HH1 ARG 25 HH1 ARG 25 -3.942 -7.715 -10.772 178 1HH2 ARG 25 HH2 ARG 25 -7.008 -6.552 -9.486 179 2HH2 ARG 25 HH2 ARG 25 -6.470 -6.514 -7.840 180 H HIS 26 H HIS 26 0.486 -6.927 -4.602 181 HA HIS 26 HA HIS 26 0.610 -9.689 -4.241 182 1HB HIS 26 HB1 HIS 26 2.208 -7.807 -5.361 183 2HB HIS 26 HB2 HIS 26 3.085 -8.090 -3.870 184 HD1 HIS 26 HD1 HIS 26 4.959 -9.655 -4.371 185 HD2 HIS 26 HD2 HIS 26 1.427 -10.749 -6.353 186 HE1 HIS 26 HE1 HIS 26 5.476 -11.826 -5.607 187 H TYR 27 H TYR 27 0.740 -6.971 -2.004 188 HA TYR 27 HA TYR 27 2.005 -8.474 0.090 189 1HB TYR 27 HB1 TYR 27 2.325 -6.107 0.191 190 2HB TYR 27 HB2 TYR 27 0.728 -5.774 -0.449 191 HD1 TYR 27 HD1 TYR 27 1.714 -7.835 2.521 192 HD2 TYR 27 HD2 TYR 27 -0.268 -4.323 1.091 193 HE1 TYR 27 HE1 TYR 27 0.869 -7.346 4.869 194 HE2 TYR 27 HE2 TYR 27 -1.105 -3.847 3.444 195 HH TYR 27 HH TYR 27 -0.040 -5.811 6.168 196 H ILE 28 H ILE 28 -1.330 -7.531 -0.876 197 HA ILE 28 HA ILE 28 -2.404 -8.730 1.526 198 HB ILE 28 HB ILE 28 -3.585 -7.268 -0.824 199 1HG1 ILE 28 1HG1 ILE 28 -2.480 -5.862 0.807 200 2HG1 ILE 28 2HG1 ILE 28 -4.214 -5.628 0.897 201 1HG2 ILE 28 1HG2 ILE 28 -5.177 -8.995 -0.303 202 2HG2 ILE 28 2HG2 ILE 28 -5.054 -8.647 1.438 203 3HG2 ILE 28 3HG2 ILE 28 -5.775 -7.446 0.340 204 1HD1 ILE 28 1HD1 ILE 28 -3.709 -7.746 2.695 205 2HD1 ILE 28 2HD1 ILE 28 -2.374 -6.597 2.952 206 3HD1 ILE 28 3HD1 ILE 28 -4.061 -6.053 3.118 207 H ASN 29 H ASN 29 -1.157 -9.862 -1.371 208 HA ASN 29 HA ASN 29 -3.067 -11.623 -2.249 209 1HB ASN 29 HB1 ASN 29 -1.052 -11.224 -3.561 210 2HB ASN 29 HB2 ASN 29 -0.014 -11.749 -2.250 211 1HD2 ASN 29 HD2 ASN 29 0.972 -13.498 -2.943 212 2HD2 ASN 29 HD2 ASN 29 0.230 -14.916 -3.606 213 H LEU 30 H LEU 30 -1.013 -11.596 0.612 214 HA LEU 30 HA LEU 30 -1.340 -14.441 1.075 215 1HB LEU 30 HB1 LEU 30 0.696 -14.060 1.865 216 2HB LEU 30 HB2 LEU 30 0.448 -12.327 1.954 217 HG LEU 30 HG LEU 30 -0.777 -12.676 4.122 218 1HD1 LEU 30 HD1 LEU 30 0.357 -15.206 4.829 219 2HD1 LEU 30 HD1 LEU 30 -1.350 -14.700 4.817 220 3HD1 LEU 30 HD1 LEU 30 -0.619 -15.402 3.353 221 1HD2 LEU 30 HD2 LEU 30 1.647 -13.695 5.086 222 2HD2 LEU 30 HD2 LEU 30 2.059 -12.844 3.578 223 3HD2 LEU 30 HD2 LEU 30 1.194 -11.986 4.876 224 H ALA 31 H ALA 31 -2.976 -11.454 1.671 225 HA ALA 31 HA ALA 31 -4.328 -12.552 4.015 226 1HB ALA 31 HB1 ALA 31 -3.662 -10.326 4.394 227 2HB ALA 31 HB2 ALA 31 -4.090 -9.817 2.743 228 3HB ALA 31 HB3 ALA 31 -5.372 -10.171 3.926 229 1HN AIB 32 1HN AIB 32 -4.743 -13.888 1.508 230 1HB1 AIB 32 1HB1 AIB 32 -6.359 -15.814 -0.023 231 2HB1 AIB 32 2HB1 AIB 32 -5.191 -14.603 -0.615 232 3HB1 AIB 32 3HB1 AIB 32 -6.825 -14.656 -1.301 233 1HB2 AIB 32 1HB2 AIB 32 -7.904 -12.787 -0.842 234 2HB2 AIB 32 2HB2 AIB 32 -6.782 -11.718 0.017 235 3HB2 AIB 32 3HB2 AIB 32 -8.280 -12.260 0.822 236 H ARG 33 H ARG 33 -6.207 -15.608 2.603 237 HA ARG 33 HA ARG 33 -9.052 -15.848 3.176 238 1HB ARG 33 HB1 ARG 33 -7.112 -18.066 3.853 239 2HB ARG 33 HB2 ARG 33 -8.817 -18.179 3.466 240 1HG ARG 33 HG1 ARG 33 -6.858 -17.219 1.359 241 2HG ARG 33 HG2 ARG 33 -7.015 -18.935 1.681 242 1HD ARG 33 HD1 ARG 33 -8.611 -18.626 -0.020 243 2HD ARG 33 HD2 ARG 33 -9.607 -18.512 1.417 244 HE ARG 33 HE ARG 33 -9.817 -16.160 1.094 245 1HH1 ARG 33 HH1 ARG 33 -8.889 -14.333 -1.731 246 2HH1 ARG 33 HH1 ARG 33 -9.818 -14.326 -0.269 247 1HH2 ARG 33 HH2 ARG 33 -7.644 -16.205 -2.306 248 2HH2 ARG 33 HH2 ARG 33 -7.643 -17.596 -1.273 249 H GLN 34 H GLN 34 -5.687 -15.749 4.424 250 HA GLN 34 HA GLN 34 -6.329 -16.136 7.098 251 1HB GLN 34 HB1 GLN 34 -4.011 -15.980 5.690 252 2HB GLN 34 HB2 GLN 34 -4.006 -14.376 6.396 253 1HG GLN 34 HG1 GLN 34 -3.054 -15.411 8.202 254 2HG GLN 34 HG2 GLN 34 -4.699 -15.869 8.597 255 1HE2 GLN 34 1HE2 GLN 34 -5.167 -17.927 8.801 256 2HE2 GLN 34 2HE2 GLN 34 -4.220 -19.270 8.254 257 H ARG 35 H ARG 35 -7.102 -13.568 4.987 258 HA ARG 35 HA ARG 35 -7.704 -11.927 7.297 259 1HB ARG 35 HB1 ARG 35 -5.679 -11.287 5.439 260 2HB ARG 35 HB2 ARG 35 -7.044 -10.327 4.904 261 1HG ARG 35 HG1 ARG 35 -6.896 -8.921 6.693 262 2HG ARG 35 HG2 ARG 35 -6.759 -10.247 7.830 263 1HD ARG 35 HD1 ARG 35 -4.323 -10.504 7.161 264 2HD ARG 35 HD2 ARG 35 -4.489 -9.086 6.144 265 HE ARG 35 HE ARG 35 -4.330 -7.759 8.054 266 1HH1 ARG 35 HH1 ARG 35 -4.693 -8.522 11.440 267 2HH1 ARG 35 HH1 ARG 35 -4.263 -7.299 10.291 268 1HH2 ARG 35 HH2 ARG 35 -5.337 -10.628 10.706 269 2HH2 ARG 35 HH2 ARG 35 -5.387 -10.977 9.010 270 H TYR 36 H TYR 36 -9.035 -13.805 5.132 271 HA TYR 36 HA TYR 36 -10.952 -13.910 4.025 272 1HB TYR 36 HB1 TYR 36 -12.299 -13.127 5.782 273 2HB TYR 36 HB2 TYR 36 -11.210 -11.796 6.120 274 HD1 TYR 36 HD1 TYR 36 -14.177 -12.861 4.243 275 HD2 TYR 36 HD2 TYR 36 -11.490 -9.622 5.009 276 HE1 TYR 36 HE1 TYR 36 -15.824 -11.236 3.190 277 HE2 TYR 36 HE2 TYR 36 -13.146 -8.008 3.953 278 HH TYR 36 HH TYR 36 -14.936 -7.967 2.496 279 1HN NH2 37 HN1 NH2 237 -11.991 -13.201 2.171 280 2HN NH2 37 HN2 NH2 237 -11.445 -11.845 1.241 Start of MODEL 7 1 H TYR 1 H TYR 1 -2.887 28.046 -23.620 2 HA TYR 1 HA TYR 1 -2.812 25.594 -22.578 3 1HB TYR 1 HB1 TYR 1 -0.529 25.078 -22.765 4 2HB TYR 1 HB2 TYR 1 -0.098 26.753 -23.042 5 HD1 TYR 1 HD1 TYR 1 -1.416 24.675 -20.196 6 HD2 TYR 1 HD2 TYR 1 1.321 27.702 -21.480 7 HE1 TYR 1 HE1 TYR 1 -0.468 24.826 -17.842 8 HE2 TYR 1 HE2 TYR 1 2.260 27.843 -19.122 9 HH TYR 1 HH TYR 1 2.163 25.743 -17.018 10 HA PRO 2 HA PRO 2 -4.079 28.640 -19.629 11 1HB PRO 2 HB1 PRO 2 -6.139 27.196 -18.564 12 2HB PRO 2 HB2 PRO 2 -6.327 28.258 -19.944 13 1HG PRO 2 HG1 PRO 2 -6.221 25.305 -19.880 14 2HG PRO 2 HG2 PRO 2 -6.822 26.354 -21.148 15 1HD PRO 2 HD1 PRO 2 -4.315 24.960 -21.118 16 2HD PRO 2 HD2 PRO 2 -4.866 26.100 -22.330 17 H SER 3 H SER 3 -4.839 28.303 -17.121 18 HA SER 3 HA SER 3 -4.130 27.782 -15.138 19 1HB SER 3 HB1 SER 3 -4.629 25.436 -15.804 20 2HB SER 3 HB2 SER 3 -3.003 25.259 -16.434 21 HG SER 3 HG SER 3 -3.309 24.405 -14.232 22 H LYS 4 H LYS 4 -2.199 27.898 -13.738 23 HA LYS 4 HA LYS 4 0.070 28.947 -15.224 24 1HB LYS 4 HB1 LYS 4 0.192 30.422 -13.567 25 2HB LYS 4 HB2 LYS 4 -1.271 29.734 -12.892 26 1HG LYS 4 HG1 LYS 4 0.037 28.131 -11.554 27 2HG LYS 4 HG2 LYS 4 1.526 28.652 -12.316 28 1HD LYS 4 HD1 LYS 4 1.740 30.150 -10.621 29 2HD LYS 4 HD2 LYS 4 0.440 31.055 -11.371 30 1HE LYS 4 HE1 LYS 4 -0.877 30.649 -9.572 31 2HE LYS 4 HE2 LYS 4 -0.803 28.930 -9.907 32 1HZ LYS 4 HZ1 LYS 4 0.599 30.437 -7.946 33 2HZ LYS 4 HZ2 LYS 4 0.274 28.838 -7.990 34 3HZ LYS 4 HZ3 LYS 4 1.577 29.428 -8.777 35 HA PRO 5 HA PRO 5 2.537 25.497 -14.429 36 1HB PRO 5 HB1 PRO 5 5.047 26.576 -14.375 37 2HB PRO 5 HB2 PRO 5 4.181 26.238 -15.861 38 1HG PRO 5 HG1 PRO 5 4.673 28.843 -14.554 39 2HG PRO 5 HG2 PRO 5 4.199 28.518 -16.209 40 1HD PRO 5 HD1 PRO 5 2.507 29.459 -14.093 41 2HD PRO 5 HD2 PRO 5 2.011 29.023 -15.717 42 H ASP 6 H ASP 6 3.480 28.212 -12.384 43 HA ASP 6 HA ASP 6 3.633 28.304 -10.203 44 1HB ASP 6 HB1 ASP 6 3.214 25.306 -9.924 45 2HB ASP 6 HB2 ASP 6 2.892 26.551 -8.733 46 H ASN 7 H ASN 7 5.746 28.579 -9.473 47 HA ASN 7 HA ASN 7 7.867 27.212 -10.497 48 1HB ASN 7 HB1 ASN 7 7.396 29.242 -8.501 49 2HB ASN 7 HB2 ASN 7 8.487 28.070 -7.788 50 1HD2 ASN 7 HD2 ASN 7 9.114 30.740 -8.452 51 2HD2 ASN 7 HD2 ASN 7 10.356 30.751 -9.659 52 HA PRO 8 HA PRO 8 7.632 24.561 -6.525 53 1HB PRO 8 HB1 PRO 8 5.453 24.763 -4.887 54 2HB PRO 8 HB2 PRO 8 6.946 25.636 -4.607 55 1HG PRO 8 HG1 PRO 8 4.371 26.652 -5.644 56 2HG PRO 8 HG2 PRO 8 5.713 27.552 -4.965 57 1HD PRO 8 HD1 PRO 8 5.035 27.316 -7.742 58 2HD PRO 8 HD2 PRO 8 6.441 28.118 -7.071 59 H GLY 9 H GLY 9 6.892 22.404 -6.105 60 1HA GLY 9 HA1 GLY 9 4.758 21.079 -6.482 61 2HA GLY 9 HA2 GLY 9 4.871 21.669 -8.128 62 H GLU 10 H GLU 10 7.245 20.351 -5.698 63 HA GLU 10 HA GLU 10 8.379 18.797 -7.859 64 1HB GLU 10 HB1 GLU 10 9.536 18.835 -5.076 65 2HB GLU 10 HB2 GLU 10 10.364 18.715 -6.616 66 1HG GLU 10 HG1 GLU 10 9.176 21.191 -6.873 67 2HG GLU 10 HG2 GLU 10 9.440 21.141 -5.142 68 H ASP 11 H ASP 11 7.318 18.364 -4.405 69 HA ASP 11 HA ASP 11 7.521 15.634 -4.388 70 1HB ASP 11 HB1 ASP 11 6.680 17.634 -2.633 71 2HB ASP 11 HB2 ASP 11 5.203 16.727 -2.888 72 H ALA 12 H ALA 12 5.554 14.057 -4.249 73 HA ALA 12 HA ALA 12 3.108 14.806 -5.449 74 1HB ALA 12 HB1 ALA 12 3.809 12.979 -7.392 75 2HB ALA 12 HB2 ALA 12 3.798 14.746 -7.607 76 3HB ALA 12 HB3 ALA 12 5.314 13.908 -7.197 77 HA PRO 13 HA PRO 13 3.213 11.050 -2.940 78 1HB PRO 13 HB1 PRO 13 1.362 11.814 -1.080 79 2HB PRO 13 HB2 PRO 13 3.088 12.017 -0.854 80 1HG PRO 13 HG1 PRO 13 1.052 14.059 -1.506 81 2HG PRO 13 HG2 PRO 13 2.668 14.285 -0.867 82 1HD PRO 13 HD1 PRO 13 1.815 14.719 -3.571 83 2HD PRO 13 HD2 PRO 13 3.452 14.833 -2.958 84 H ALA 14 H ALA 14 1.170 12.572 -4.987 85 HA ALA 14 HA ALA 14 -1.132 10.948 -4.547 86 1HB ALA 14 HB1 ALA 14 -1.687 12.941 -5.569 87 2HB ALA 14 HB2 ALA 14 -0.191 12.991 -6.532 88 3HB ALA 14 HB3 ALA 14 -1.521 11.910 -7.010 89 H GLU 15 H GLU 15 1.884 10.741 -6.423 90 HA GLU 15 HA GLU 15 0.887 8.570 -7.986 91 1HB GLU 15 HB1 GLU 15 2.599 10.295 -8.770 92 2HB GLU 15 HB2 GLU 15 3.765 9.533 -7.706 93 1HG GLU 15 HG1 GLU 15 2.229 7.815 -9.670 94 2HG GLU 15 HG2 GLU 15 3.567 8.784 -10.255 95 H ASP 16 H ASP 16 2.110 8.978 -4.815 96 HA ASP 16 HA ASP 16 3.535 6.535 -4.684 97 1HB ASP 16 HB1 ASP 16 3.941 8.518 -3.181 98 2HB ASP 16 HB2 ASP 16 2.364 8.270 -2.458 99 H LEU 17 H LEU 17 0.246 7.784 -3.904 100 HA LEU 17 HA LEU 17 -0.782 5.802 -2.374 101 1HB LEU 17 HB1 LEU 17 -1.739 8.006 -3.608 102 2HB LEU 17 HB2 LEU 17 -2.510 6.765 -4.575 103 HG LEU 17 HG LEU 17 -3.922 7.577 -2.719 104 1HD1 LEU 17 HD1 LEU 17 -4.589 5.358 -1.851 105 2HD1 LEU 17 HD1 LEU 17 -4.340 5.372 -3.614 106 3HD1 LEU 17 HD1 LEU 17 -3.104 4.665 -2.547 107 1HD2 LEU 17 HD2 LEU 17 -1.990 7.971 -1.144 108 2HD2 LEU 17 HD2 LEU 17 -3.423 7.192 -0.432 109 3HD2 LEU 17 HD2 LEU 17 -1.988 6.219 -0.832 110 H ALA 18 H ALA 18 -0.329 5.801 -5.954 111 HA ALA 18 HA ALA 18 -1.588 3.341 -6.393 112 1HB ALA 18 HB1 ALA 18 0.403 3.636 -8.341 113 2HB ALA 18 HB2 ALA 18 -1.271 4.231 -8.439 114 3HB ALA 18 HB3 ALA 18 0.022 5.302 -7.847 115 H ARG 19 H ARG 19 1.861 4.240 -5.751 116 HA ARG 19 HA ARG 19 2.884 1.720 -6.056 117 1HB ARG 19 HB1 ARG 19 3.815 3.869 -4.085 118 2HB ARG 19 HB2 ARG 19 4.797 2.552 -4.693 119 1HG ARG 19 HG1 ARG 19 3.502 4.202 -6.811 120 2HG ARG 19 HG2 ARG 19 4.669 5.067 -5.831 121 1HD ARG 19 HD1 ARG 19 6.461 3.853 -6.641 122 2HD ARG 19 HD2 ARG 19 5.554 2.356 -6.716 123 HE ARG 19 HE ARG 19 4.554 4.214 -8.687 124 1HH1 ARG 19 HH1 ARG 19 6.360 2.857 -11.347 125 2HH1 ARG 19 HH1 ARG 19 5.041 3.885 -10.895 126 1HH2 ARG 19 HH2 ARG 19 7.633 1.815 -9.710 127 2HH2 ARG 19 HH2 ARG 19 7.264 2.065 -8.036 128 H TYR 20 H TYR 20 0.945 3.135 -3.479 129 HA TYR 20 HA TYR 20 1.691 1.084 -1.568 130 1HB TYR 20 HB1 TYR 20 1.267 3.223 -0.581 131 2HB TYR 20 HB2 TYR 20 0.048 3.630 -1.772 132 HD1 TYR 20 HD1 TYR 20 -2.154 3.718 -1.053 133 HD2 TYR 20 HD2 TYR 20 0.573 1.121 0.978 134 HE1 TYR 20 HE1 TYR 20 -3.975 3.093 0.608 135 HE2 TYR 20 HE2 TYR 20 -1.258 0.505 2.632 136 HH TYR 20 HH TYR 20 -3.647 0.459 2.734 137 H TYR 21 H TYR 21 -0.546 1.523 -4.165 138 HA TYR 21 HA TYR 21 -2.456 -0.341 -2.964 139 1HB TYR 21 HB1 TYR 21 -2.389 1.909 -4.884 140 2HB TYR 21 HB2 TYR 21 -3.133 0.510 -5.634 141 HD1 TYR 21 HD1 TYR 21 -3.314 2.564 -2.503 142 HD2 TYR 21 HD2 TYR 21 -5.411 0.109 -5.310 143 HE1 TYR 21 HE1 TYR 21 -5.511 3.103 -1.344 144 HE2 TYR 21 HE2 TYR 21 -7.601 0.657 -4.141 145 HH TYR 21 HH TYR 21 -8.512 1.533 -2.348 146 H SER 22 H SER 22 -0.052 0.037 -5.581 147 HA SER 22 HA SER 22 -0.852 -2.209 -7.021 148 1HB SER 22 HB1 SER 22 1.881 -0.866 -6.826 149 2HB SER 22 HB2 SER 22 1.437 -2.043 -8.047 150 HG SER 22 HG SER 22 0.905 0.660 -7.959 151 H ALA 23 H ALA 23 1.416 -1.676 -4.283 152 HA ALA 23 HA ALA 23 2.354 -4.390 -4.348 153 1HB ALA 23 HB1 ALA 23 2.689 -2.458 -2.049 154 2HB ALA 23 HB2 ALA 23 3.813 -3.702 -2.647 155 3HB ALA 23 HB3 ALA 23 3.567 -2.203 -3.575 156 H LEU 24 H LEU 24 -0.443 -2.722 -3.212 157 HA LEU 24 HA LEU 24 -0.917 -4.247 -0.880 158 1HB LEU 24 HB1 LEU 24 -2.354 -2.283 -2.551 159 2HB LEU 24 HB2 LEU 24 -3.373 -3.407 -1.674 160 HG LEU 24 HG LEU 24 -2.487 -1.050 -0.686 161 1HD1 LEU 24 HD1 LEU 24 -4.202 -2.773 0.175 162 2HD1 LEU 24 HD1 LEU 24 -2.865 -3.385 1.179 163 3HD1 LEU 24 HD1 LEU 24 -3.409 -1.699 1.353 164 1HD2 LEU 24 HD2 LEU 24 -0.129 -2.288 -0.729 165 2HD2 LEU 24 HD2 LEU 24 -0.579 -1.134 0.549 166 3HD2 LEU 24 HD2 LEU 24 -0.706 -2.884 0.846 167 H ARG 25 H ARG 25 -0.825 -5.080 -4.180 168 HA ARG 25 HA ARG 25 -2.885 -7.073 -3.882 169 1HB ARG 25 HB1 ARG 25 -2.573 -5.666 -6.011 170 2HB ARG 25 HB2 ARG 25 -1.084 -6.545 -6.297 171 1HG ARG 25 HG1 ARG 25 -2.387 -8.041 -7.422 172 2HG ARG 25 HG2 ARG 25 -2.854 -8.625 -5.837 173 1HD ARG 25 HD1 ARG 25 -4.785 -7.019 -5.823 174 2HD ARG 25 HD2 ARG 25 -4.324 -6.457 -7.417 175 HE ARG 25 HE ARG 25 -5.626 -9.009 -6.768 176 1HH1 ARG 25 HH1 ARG 25 -5.729 -9.993 -10.115 177 2HH1 ARG 25 HH1 ARG 25 -6.303 -10.319 -8.513 178 1HH2 ARG 25 HH2 ARG 25 -4.271 -8.225 -10.487 179 2HH2 ARG 25 HH2 ARG 25 -3.758 -7.233 -9.164 180 H HIS 26 H HIS 26 0.593 -6.649 -3.717 181 HA HIS 26 HA HIS 26 1.060 -9.495 -4.055 182 1HB HIS 26 HB1 HIS 26 2.494 -7.278 -4.814 183 2HB HIS 26 HB2 HIS 26 3.325 -7.747 -3.344 184 HD1 HIS 26 HD1 HIS 26 5.214 -9.312 -3.761 185 HD2 HIS 26 HD2 HIS 26 2.130 -9.804 -6.561 186 HE1 HIS 26 HE1 HIS 26 5.997 -11.126 -5.375 187 H TYR 27 H TYR 27 0.672 -7.003 -1.603 188 HA TYR 27 HA TYR 27 1.913 -8.624 0.451 189 1HB TYR 27 HB1 TYR 27 2.156 -6.187 0.551 190 2HB TYR 27 HB2 TYR 27 0.464 -5.936 0.173 191 HD1 TYR 27 HD1 TYR 27 2.748 -7.208 2.835 192 HD2 TYR 27 HD2 TYR 27 -1.135 -5.678 1.894 193 HE1 TYR 27 HE1 TYR 27 2.218 -7.010 5.314 194 HE2 TYR 27 HE2 TYR 27 -1.652 -5.485 4.376 195 HH TYR 27 HH TYR 27 -0.950 -5.802 6.388 196 H ILE 28 H ILE 28 -1.303 -7.891 -0.869 197 HA ILE 28 HA ILE 28 -2.641 -8.986 1.435 198 HB ILE 28 HB ILE 28 -3.580 -7.954 -1.238 199 1HG1 ILE 28 1HG1 ILE 28 -2.680 -6.333 0.466 200 2HG1 ILE 28 2HG1 ILE 28 -4.325 -6.041 -0.061 201 1HG2 ILE 28 1HG2 ILE 28 -5.240 -9.019 1.063 202 2HG2 ILE 28 2HG2 ILE 28 -5.871 -8.146 -0.354 203 3HG2 ILE 28 3HG2 ILE 28 -5.088 -9.731 -0.561 204 1HD1 ILE 28 1HD1 ILE 28 -4.105 -7.844 2.295 205 2HD1 ILE 28 2HD1 ILE 28 -3.547 -6.176 2.573 206 3HD1 ILE 28 3HD1 ILE 28 -5.208 -6.476 2.007 207 H ASN 29 H ASN 29 -0.914 -10.240 -1.191 208 HA ASN 29 HA ASN 29 -2.473 -12.258 -2.125 209 1HB ASN 29 HB1 ASN 29 -0.315 -11.874 -3.139 210 2HB ASN 29 HB2 ASN 29 0.526 -12.052 -1.612 211 1HD2 ASN 29 HD2 ASN 29 -0.905 -13.626 -4.324 212 2HD2 ASN 29 HD2 ASN 29 -0.427 -15.254 -3.973 213 H LEU 30 H LEU 30 -1.116 -11.740 1.053 214 HA LEU 30 HA LEU 30 -0.981 -14.489 1.816 215 1HB LEU 30 HB1 LEU 30 0.408 -13.461 3.200 216 2HB LEU 30 HB2 LEU 30 -0.317 -11.891 2.920 217 HG LEU 30 HG LEU 30 -2.133 -12.521 4.553 218 1HD1 LEU 30 HD1 LEU 30 -0.529 -14.554 5.895 219 2HD1 LEU 30 HD1 LEU 30 -2.268 -14.525 5.517 220 3HD1 LEU 30 HD1 LEU 30 -1.100 -15.077 4.293 221 1HD2 LEU 30 HD2 LEU 30 0.646 -11.826 5.081 222 2HD2 LEU 30 HD2 LEU 30 -0.856 -11.150 5.755 223 3HD2 LEU 30 HD2 LEU 30 -0.134 -12.608 6.476 224 H ALA 31 H ALA 31 -3.486 -12.117 1.415 225 HA ALA 31 HA ALA 31 -5.412 -14.023 2.389 226 1HB ALA 31 HB1 ALA 31 -5.060 -11.294 3.691 227 2HB ALA 31 HB2 ALA 31 -6.477 -12.347 3.916 228 3HB ALA 31 HB3 ALA 31 -4.873 -12.883 4.471 229 1HN AIB 32 1HN AIB 32 -6.855 -14.066 0.739 230 1HB1 AIB 32 1HB1 AIB 32 -7.288 -13.024 -2.693 231 2HB1 AIB 32 2HB1 AIB 32 -5.783 -12.917 -1.743 232 3HB1 AIB 32 3HB1 AIB 32 -6.638 -11.434 -2.203 233 1HB2 AIB 32 1HB2 AIB 32 -8.534 -11.174 0.871 234 2HB2 AIB 32 2HB2 AIB 32 -9.101 -10.931 -0.789 235 3HB2 AIB 32 3HB2 AIB 32 -7.457 -10.410 -0.331 236 H ARG 33 H ARG 33 -7.594 -15.217 -0.543 237 HA ARG 33 HA ARG 33 -10.451 -15.258 -1.103 238 1HB ARG 33 HB1 ARG 33 -8.681 -17.581 -1.882 239 2HB ARG 33 HB2 ARG 33 -10.178 -17.045 -2.619 240 1HG ARG 33 HG1 ARG 33 -7.535 -15.518 -2.769 241 2HG ARG 33 HG2 ARG 33 -8.145 -16.568 -4.032 242 1HD ARG 33 HD1 ARG 33 -9.141 -13.861 -3.165 243 2HD ARG 33 HD2 ARG 33 -8.931 -14.496 -4.784 244 HE ARG 33 HE ARG 33 -11.282 -14.864 -3.044 245 1HH1 ARG 33 HH1 ARG 33 -13.018 -16.584 -5.534 246 2HH1 ARG 33 HH1 ARG 33 -13.134 -15.812 -3.988 247 1HH2 ARG 33 HH2 ARG 33 -10.982 -16.654 -6.647 248 2HH2 ARG 33 HH2 ARG 33 -9.579 -15.936 -5.930 249 H GLN 34 H GLN 34 -7.625 -16.709 0.563 250 HA GLN 34 HA GLN 34 -8.912 -18.840 1.734 251 1HB GLN 34 HB1 GLN 34 -6.353 -17.628 1.835 252 2HB GLN 34 HB2 GLN 34 -6.901 -17.663 3.499 253 1HG GLN 34 HG1 GLN 34 -6.273 -19.844 3.558 254 2HG GLN 34 HG2 GLN 34 -7.647 -20.190 2.527 255 1HE2 GLN 34 1HE2 GLN 34 -4.221 -19.450 2.629 256 2HE2 GLN 34 2HE2 GLN 34 -3.790 -20.074 1.071 257 H ARG 35 H ARG 35 -9.263 -15.428 2.277 258 HA ARG 35 HA ARG 35 -10.672 -16.041 4.751 259 1HB ARG 35 HB1 ARG 35 -8.514 -14.301 4.460 260 2HB ARG 35 HB2 ARG 35 -9.874 -13.206 4.323 261 1HG ARG 35 HG1 ARG 35 -10.280 -15.130 6.506 262 2HG ARG 35 HG2 ARG 35 -8.779 -14.250 6.711 263 1HD ARG 35 HD1 ARG 35 -11.264 -12.697 5.959 264 2HD ARG 35 HD2 ARG 35 -11.094 -13.251 7.613 265 HE ARG 35 HE ARG 35 -8.704 -11.903 6.562 266 1HH1 ARG 35 HH1 ARG 35 -9.214 -9.094 8.570 267 2HH1 ARG 35 HH1 ARG 35 -8.101 -9.924 7.535 268 1HH2 ARG 35 HH2 ARG 35 -11.317 -9.991 8.969 269 2HH2 ARG 35 HH2 ARG 35 -11.773 -11.490 8.232 270 H TYR 36 H TYR 36 -11.482 -15.960 1.777 271 HA TYR 36 HA TYR 36 -12.990 -14.985 0.424 272 1HB TYR 36 HB1 TYR 36 -14.649 -14.727 2.976 273 2HB TYR 36 HB2 TYR 36 -15.172 -15.336 1.419 274 HD1 TYR 36 HD1 TYR 36 -14.239 -16.247 4.689 275 HD2 TYR 36 HD2 TYR 36 -13.958 -17.576 0.632 276 HE1 TYR 36 HE1 TYR 36 -13.864 -18.632 5.488 277 HE2 TYR 36 HE2 TYR 36 -13.584 -19.956 1.445 278 HH TYR 36 HH TYR 36 -14.372 -21.045 4.250 279 1HN NH2 37 HN1 NH2 237 -11.856 -13.000 0.103 280 2HN NH2 37 HN2 NH2 237 -12.466 -11.510 0.743 Start of MODEL 8 1 H TYR 1 H TYR 1 5.369 -6.172 -22.012 2 HA TYR 1 HA TYR 1 4.619 -3.559 -22.879 3 1HB TYR 1 HB1 TYR 1 3.374 -5.277 -20.667 4 2HB TYR 1 HB2 TYR 1 2.533 -4.227 -21.791 5 HD1 TYR 1 HD1 TYR 1 2.853 -7.507 -20.984 6 HD2 TYR 1 HD2 TYR 1 3.259 -4.986 -24.417 7 HE1 TYR 1 HE1 TYR 1 2.397 -9.492 -22.505 8 HE2 TYR 1 HE2 TYR 1 2.801 -6.980 -25.926 9 HH TYR 1 HH TYR 1 2.318 -10.214 -24.542 10 HA PRO 2 HA PRO 2 6.614 -1.986 -19.188 11 1HB PRO 2 HB1 PRO 2 7.531 0.342 -20.286 12 2HB PRO 2 HB2 PRO 2 8.480 -1.129 -20.230 13 1HG PRO 2 HG1 PRO 2 7.095 0.096 -22.537 14 2HG PRO 2 HG2 PRO 2 8.372 -1.105 -22.534 15 1HD PRO 2 HD1 PRO 2 5.580 -1.568 -23.005 16 2HD PRO 2 HD2 PRO 2 6.839 -2.782 -22.887 17 H SER 3 H SER 3 5.570 0.753 -21.110 18 HA SER 3 HA SER 3 4.068 2.276 -20.750 19 1HB SER 3 HB1 SER 3 2.424 0.458 -20.950 20 2HB SER 3 HB2 SER 3 2.603 0.059 -19.253 21 HG SER 3 HG SER 3 0.778 1.337 -19.339 22 H LYS 4 H LYS 4 4.756 3.961 -19.479 23 HA LYS 4 HA LYS 4 4.722 3.508 -16.577 24 1HB LYS 4 HB1 LYS 4 6.690 5.395 -17.830 25 2HB LYS 4 HB2 LYS 4 6.761 4.573 -16.285 26 1HG LYS 4 HG1 LYS 4 8.114 3.056 -17.308 27 2HG LYS 4 HG2 LYS 4 6.667 2.440 -18.080 28 1HD LYS 4 HD1 LYS 4 7.990 4.831 -19.344 29 2HD LYS 4 HD2 LYS 4 8.809 3.290 -19.496 30 1HE LYS 4 HE1 LYS 4 6.210 2.565 -20.107 31 2HE LYS 4 HE2 LYS 4 6.253 4.204 -20.725 32 1HZ LYS 4 HZ1 LYS 4 8.576 3.214 -21.582 33 2HZ LYS 4 HZ2 LYS 4 7.627 1.888 -21.664 34 3HZ LYS 4 HZ3 LYS 4 7.205 3.245 -22.468 35 HA PRO 5 HA PRO 5 2.309 7.079 -16.399 36 1HB PRO 5 HB1 PRO 5 2.979 8.173 -13.986 37 2HB PRO 5 HB2 PRO 5 1.893 6.807 -14.150 38 1HG PRO 5 HG1 PRO 5 4.706 6.841 -13.241 39 2HG PRO 5 HG2 PRO 5 3.494 5.595 -13.015 40 1HD PRO 5 HD1 PRO 5 5.661 5.560 -14.894 41 2HD PRO 5 HD2 PRO 5 4.383 4.371 -14.746 42 H ASP 6 H ASP 6 5.469 8.032 -15.119 43 HA ASP 6 HA ASP 6 6.276 9.518 -17.175 44 1HB ASP 6 HB1 ASP 6 4.093 10.879 -15.696 45 2HB ASP 6 HB2 ASP 6 5.538 11.859 -15.844 46 H ASN 7 H ASN 7 5.662 9.405 -13.643 47 HA ASN 7 HA ASN 7 8.419 10.270 -13.245 48 1HB ASN 7 HB1 ASN 7 5.870 10.895 -11.746 49 2HB ASN 7 HB2 ASN 7 7.335 10.737 -10.798 50 1HD2 ASN 7 HD2 ASN 7 9.301 11.851 -11.880 51 2HD2 ASN 7 HD2 ASN 7 9.054 13.482 -12.407 52 HA PRO 8 HA PRO 8 8.875 6.515 -11.024 53 1HB PRO 8 HB1 PRO 8 10.635 7.131 -9.027 54 2HB PRO 8 HB2 PRO 8 11.128 6.844 -10.684 55 1HG PRO 8 HG1 PRO 8 10.919 9.410 -9.229 56 2HG PRO 8 HG2 PRO 8 11.793 9.053 -10.706 57 1HD PRO 8 HD1 PRO 8 9.288 10.433 -10.485 58 2HD PRO 8 HD2 PRO 8 10.105 9.974 -11.966 59 H GLY 9 H GLY 9 8.004 9.250 -9.059 60 1HA GLY 9 HA1 GLY 9 5.834 8.771 -7.899 61 2HA GLY 9 HA2 GLY 9 6.644 7.373 -7.221 62 H GLU 10 H GLU 10 7.172 10.951 -7.624 63 HA GLU 10 HA GLU 10 8.031 10.949 -4.841 64 1HB GLU 10 HB1 GLU 10 9.303 12.866 -6.789 65 2HB GLU 10 HB2 GLU 10 9.934 12.245 -5.276 66 1HG GLU 10 HG1 GLU 10 9.736 9.900 -6.658 67 2HG GLU 10 HG2 GLU 10 9.965 10.998 -8.004 68 H ASP 11 H ASP 11 6.786 12.812 -7.673 69 HA ASP 11 HA ASP 11 5.494 14.565 -5.732 70 1HB ASP 11 HB1 ASP 11 7.258 15.263 -7.791 71 2HB ASP 11 HB2 ASP 11 5.691 15.548 -8.521 72 H ALA 12 H ALA 12 3.421 15.645 -6.903 73 HA ALA 12 HA ALA 12 1.434 15.396 -7.844 74 1HB ALA 12 HB1 ALA 12 2.129 13.138 -9.629 75 2HB ALA 12 HB2 ALA 12 1.435 14.731 -10.015 76 3HB ALA 12 HB3 ALA 12 3.191 14.558 -9.782 77 HA PRO 13 HA PRO 13 -0.372 12.099 -5.706 78 1HB PRO 13 HB1 PRO 13 -2.908 12.080 -6.725 79 2HB PRO 13 HB2 PRO 13 -2.374 13.219 -5.505 80 1HG PRO 13 HG1 PRO 13 -2.842 13.675 -8.388 81 2HG PRO 13 HG2 PRO 13 -2.728 14.852 -7.094 82 1HD PRO 13 HD1 PRO 13 -0.711 14.240 -9.040 83 2HD PRO 13 HD2 PRO 13 -0.556 15.331 -7.678 84 H ALA 14 H ALA 14 -2.115 10.131 -6.174 85 HA ALA 14 HA ALA 14 -1.981 8.020 -6.895 86 1HB ALA 14 HB1 ALA 14 -3.098 9.640 -8.758 87 2HB ALA 14 HB2 ALA 14 -1.777 8.939 -9.725 88 3HB ALA 14 HB3 ALA 14 -2.975 7.874 -8.951 89 H GLU 15 H GLU 15 0.643 9.416 -6.368 90 HA GLU 15 HA GLU 15 2.250 7.726 -8.123 91 1HB GLU 15 HB1 GLU 15 2.418 10.563 -7.645 92 2HB GLU 15 HB2 GLU 15 3.857 9.820 -6.976 93 1HG GLU 15 HG1 GLU 15 4.288 10.365 -9.317 94 2HG GLU 15 HG2 GLU 15 4.230 8.621 -9.156 95 H ASP 16 H ASP 16 1.336 8.689 -4.882 96 HA ASP 16 HA ASP 16 3.517 7.071 -3.831 97 1HB ASP 16 HB1 ASP 16 3.154 9.517 -3.055 98 2HB ASP 16 HB2 ASP 16 1.694 8.950 -2.269 99 H LEU 17 H LEU 17 -0.010 7.654 -4.001 100 HA LEU 17 HA LEU 17 -0.655 5.664 -2.049 101 1HB LEU 17 HB1 LEU 17 -1.951 7.805 -3.356 102 2HB LEU 17 HB2 LEU 17 -2.831 6.355 -3.796 103 HG LEU 17 HG LEU 17 -3.819 7.389 -1.843 104 1HD1 LEU 17 HD1 LEU 17 -3.946 5.482 -0.386 105 2HD1 LEU 17 HD1 LEU 17 -3.826 4.910 -2.068 106 3HD1 LEU 17 HD1 LEU 17 -2.401 4.848 -1.003 107 1HD2 LEU 17 HD2 LEU 17 -2.664 7.673 0.256 108 2HD2 LEU 17 HD2 LEU 17 -1.178 6.964 -0.420 109 3HD2 LEU 17 HD2 LEU 17 -1.774 8.527 -1.027 110 H ALA 18 H ALA 18 -0.475 5.905 -5.632 111 HA ALA 18 HA ALA 18 -1.655 3.457 -6.209 112 1HB ALA 18 HB1 ALA 18 0.647 4.593 -7.800 113 2HB ALA 18 HB2 ALA 18 -0.852 3.824 -8.377 114 3HB ALA 18 HB3 ALA 18 -0.897 5.473 -7.707 115 H ARG 19 H ARG 19 1.769 4.348 -5.462 116 HA ARG 19 HA ARG 19 2.845 1.883 -5.964 117 1HB ARG 19 HB1 ARG 19 3.657 3.981 -3.889 118 2HB ARG 19 HB2 ARG 19 4.673 2.632 -4.357 119 1HG ARG 19 HG1 ARG 19 3.579 4.327 -6.584 120 2HG ARG 19 HG2 ARG 19 4.801 5.064 -5.566 121 1HD ARG 19 HD1 ARG 19 5.825 2.486 -6.062 122 2HD ARG 19 HD2 ARG 19 5.094 2.938 -7.589 123 HE ARG 19 HE ARG 19 6.729 4.599 -7.867 124 1HH1 ARG 19 HH1 ARG 19 9.263 5.647 -5.709 125 2HH1 ARG 19 HH1 ARG 19 8.631 5.741 -7.319 126 1HH2 ARG 19 HH2 ARG 19 8.179 4.362 -4.109 127 2HH2 ARG 19 HH2 ARG 19 6.738 3.496 -4.525 128 H TYR 20 H TYR 20 0.785 3.001 -3.355 129 HA TYR 20 HA TYR 20 1.546 0.796 -1.613 130 1HB TYR 20 HB1 TYR 20 1.117 2.830 -0.425 131 2HB TYR 20 HB2 TYR 20 -0.088 3.357 -1.584 132 HD1 TYR 20 HD1 TYR 20 0.514 1.106 1.303 133 HD2 TYR 20 HD2 TYR 20 -2.413 2.867 -1.273 134 HE1 TYR 20 HE1 TYR 20 -1.337 0.337 2.868 135 HE2 TYR 20 HE2 TYR 20 -4.253 2.093 0.300 136 HH TYR 20 HH TYR 20 -4.733 1.118 2.163 137 H TYR 21 H TYR 21 -0.621 1.446 -4.205 138 HA TYR 21 HA TYR 21 -2.599 -0.455 -3.193 139 1HB TYR 21 HB1 TYR 21 -2.409 1.886 -4.992 140 2HB TYR 21 HB2 TYR 21 -3.142 0.541 -5.843 141 HD1 TYR 21 HD1 TYR 21 -3.758 3.290 -3.711 142 HD2 TYR 21 HD2 TYR 21 -5.107 -0.683 -4.552 143 HE1 TYR 21 HE1 TYR 21 -5.994 3.810 -2.619 144 HE2 TYR 21 HE2 TYR 21 -7.338 -0.149 -3.457 145 HH TYR 21 HH TYR 21 -8.092 1.524 -1.633 146 H SER 22 H SER 22 -0.093 0.019 -5.703 147 HA SER 22 HA SER 22 -0.881 -2.235 -7.193 148 1HB SER 22 HB1 SER 22 1.342 -0.261 -7.204 149 2HB SER 22 HB2 SER 22 1.779 -1.836 -7.835 150 HG SER 22 HG SER 22 -0.427 -1.520 -9.069 151 H ALA 23 H ALA 23 1.415 -1.587 -4.513 152 HA ALA 23 HA ALA 23 2.568 -4.210 -4.649 153 1HB ALA 23 HB1 ALA 23 4.163 -3.073 -3.551 154 2HB ALA 23 HB2 ALA 23 3.080 -1.673 -3.364 155 3HB ALA 23 HB3 ALA 23 3.080 -2.967 -2.142 156 H LEU 24 H LEU 24 -0.386 -2.883 -3.536 157 HA LEU 24 HA LEU 24 -0.692 -4.520 -1.227 158 1HB LEU 24 HB1 LEU 24 -1.810 -2.295 -1.770 159 2HB LEU 24 HB2 LEU 24 -2.870 -3.198 -2.835 160 HG LEU 24 HG LEU 24 -2.844 -4.507 -0.286 161 1HD1 LEU 24 HD1 LEU 24 -2.126 -2.004 0.260 162 2HD1 LEU 24 HD1 LEU 24 -3.882 -1.744 0.125 163 3HD1 LEU 24 HD1 LEU 24 -3.245 -2.922 1.296 164 1HD2 LEU 24 HD2 LEU 24 -4.606 -4.304 -2.202 165 2HD2 LEU 24 HD2 LEU 24 -5.139 -4.456 -0.511 166 3HD2 LEU 24 HD2 LEU 24 -5.138 -2.862 -1.304 167 H ARG 25 H ARG 25 -0.814 -5.043 -4.648 168 HA ARG 25 HA ARG 25 -2.745 -7.095 -4.558 169 1HB ARG 25 HB1 ARG 25 -1.990 -5.668 -6.598 170 2HB ARG 25 HB2 ARG 25 -0.593 -6.722 -6.690 171 1HG ARG 25 HG1 ARG 25 -1.867 -8.128 -7.939 172 2HG ARG 25 HG2 ARG 25 -2.728 -8.526 -6.465 173 1HD ARG 25 HD1 ARG 25 -4.473 -6.944 -6.911 174 2HD ARG 25 HD2 ARG 25 -3.511 -6.080 -8.094 175 HE ARG 25 HE ARG 25 -3.716 -8.676 -9.118 176 1HH1 ARG 25 HH1 ARG 25 -6.826 -8.469 -10.689 177 2HH1 ARG 25 HH1 ARG 25 -5.324 -9.328 -10.605 178 1HH2 ARG 25 HH2 ARG 25 -7.205 -6.656 -9.290 179 2HH2 ARG 25 HH2 ARG 25 -5.986 -6.162 -8.162 180 H HIS 26 H HIS 26 0.719 -6.817 -3.968 181 HA HIS 26 HA HIS 26 1.018 -9.713 -4.111 182 1HB HIS 26 HB1 HIS 26 2.627 -7.803 -5.095 183 2HB HIS 26 HB2 HIS 26 3.315 -7.916 -3.487 184 HD1 HIS 26 HD1 HIS 26 4.359 -10.268 -2.787 185 HD2 HIS 26 HD2 HIS 26 3.217 -9.928 -6.808 186 HE1 HIS 26 HE1 HIS 26 5.477 -12.206 -4.014 187 H TYR 27 H TYR 27 0.605 -7.024 -1.912 188 HA TYR 27 HA TYR 27 1.686 -8.489 0.342 189 1HB TYR 27 HB1 TYR 27 1.878 -5.970 -0.037 190 2HB TYR 27 HB2 TYR 27 0.130 -5.850 -0.013 191 HD1 TYR 27 HD1 TYR 27 2.569 -7.631 2.223 192 HD2 TYR 27 HD2 TYR 27 -0.540 -4.711 1.894 193 HE1 TYR 27 HE1 TYR 27 2.623 -7.280 4.741 194 HE2 TYR 27 HE2 TYR 27 -0.476 -4.369 4.412 195 HH TYR 27 HH TYR 27 1.981 -5.222 6.283 196 H ILE 28 H ILE 28 -1.302 -8.234 -1.389 197 HA ILE 28 HA ILE 28 -2.890 -8.856 0.962 198 HB ILE 28 HB ILE 28 -3.504 -8.180 -1.900 199 1HG1 ILE 28 1HG1 ILE 28 -3.016 -6.476 0.018 200 2HG1 ILE 28 2HG1 ILE 28 -4.343 -6.197 -1.093 201 1HG2 ILE 28 1HG2 ILE 28 -4.964 -10.060 -1.236 202 2HG2 ILE 28 2HG2 ILE 28 -5.518 -9.110 0.164 203 3HG2 ILE 28 3HG2 ILE 28 -5.860 -8.542 -1.488 204 1HD1 ILE 28 1HD1 ILE 28 -4.803 -7.725 1.490 205 2HD1 ILE 28 2HD1 ILE 28 -4.802 -5.945 1.465 206 3HD1 ILE 28 3HD1 ILE 28 -5.986 -6.848 0.490 207 H ASN 29 H ASN 29 -0.983 -10.450 -1.395 208 HA ASN 29 HA ASN 29 -2.447 -12.645 -2.024 209 1HB ASN 29 HB1 ASN 29 -0.287 -12.383 -3.046 210 2HB ASN 29 HB2 ASN 29 0.524 -12.227 -1.501 211 1HD2 ASN 29 HD2 ASN 29 1.929 -13.852 -1.566 212 2HD2 ASN 29 HD2 ASN 29 1.537 -15.533 -1.714 213 H LEU 30 H LEU 30 -1.185 -11.586 1.061 214 HA LEU 30 HA LEU 30 -1.246 -14.251 2.209 215 1HB LEU 30 HB1 LEU 30 0.504 -13.275 3.191 216 2HB LEU 30 HB2 LEU 30 -0.075 -11.651 2.874 217 HG LEU 30 HG LEU 30 -1.730 -12.026 4.799 218 1HD1 LEU 30 HD1 LEU 30 -1.314 -13.723 6.392 219 2HD1 LEU 30 HD1 LEU 30 -1.353 -14.532 4.807 220 3HD1 LEU 30 HD1 LEU 30 0.206 -14.204 5.601 221 1HD2 LEU 30 HD2 LEU 30 0.565 -10.752 4.739 222 2HD2 LEU 30 HD2 LEU 30 -0.281 -11.033 6.279 223 3HD2 LEU 30 HD2 LEU 30 1.088 -12.071 5.814 224 H ALA 31 H ALA 31 -3.268 -11.434 1.750 225 HA ALA 31 HA ALA 31 -4.972 -12.010 3.987 226 1HB ALA 31 HB1 ALA 31 -5.078 -9.767 3.525 227 2HB ALA 31 HB2 ALA 31 -4.777 -10.000 1.786 228 3HB ALA 31 HB3 ALA 31 -6.398 -10.300 2.456 229 1HN AIB 32 1HN AIB 32 -6.392 -11.442 0.806 230 1HB1 AIB 32 1HB1 AIB 32 -7.293 -15.210 1.274 231 2HB1 AIB 32 2HB1 AIB 32 -5.865 -14.722 0.324 232 3HB1 AIB 32 3HB1 AIB 32 -7.336 -15.250 -0.512 233 1HB2 AIB 32 1HB2 AIB 32 -7.896 -13.464 -1.784 234 2HB2 AIB 32 2HB2 AIB 32 -6.775 -12.145 -1.407 235 3HB2 AIB 32 3HB2 AIB 32 -8.516 -11.952 -1.064 236 H ARG 33 H ARG 33 -7.998 -12.763 2.934 237 HA ARG 33 HA ARG 33 -10.852 -12.920 2.402 238 1HB ARG 33 HB1 ARG 33 -9.769 -13.855 5.064 239 2HB ARG 33 HB2 ARG 33 -11.238 -14.343 4.243 240 1HG ARG 33 HG1 ARG 33 -8.432 -15.048 3.263 241 2HG ARG 33 HG2 ARG 33 -9.410 -16.108 4.258 242 1HD ARG 33 HD1 ARG 33 -9.719 -15.401 1.366 243 2HD ARG 33 HD2 ARG 33 -10.048 -16.917 2.182 244 HE ARG 33 HE ARG 33 -11.908 -14.652 1.867 245 1HH1 ARG 33 HH1 ARG 33 -14.510 -16.413 3.385 246 2HH1 ARG 33 HH1 ARG 33 -14.083 -15.005 2.471 247 1HH2 ARG 33 HH2 ARG 33 -12.872 -17.940 3.997 248 2HH2 ARG 33 HH2 ARG 33 -11.223 -17.671 3.539 249 H GLN 34 H GLN 34 -8.178 -11.833 4.579 250 HA GLN 34 HA GLN 34 -9.627 -10.273 6.273 251 1HB GLN 34 HB1 GLN 34 -6.811 -10.431 5.366 252 2HB GLN 34 HB2 GLN 34 -7.262 -8.848 5.967 253 1HG GLN 34 HG1 GLN 34 -6.618 -9.904 7.953 254 2HG GLN 34 HG2 GLN 34 -8.346 -10.196 7.971 255 1HE2 GLN 34 1HE2 GLN 34 -5.188 -11.545 7.610 256 2HE2 GLN 34 2HE2 GLN 34 -5.617 -13.223 7.581 257 H ARG 35 H ARG 35 -9.055 -9.852 2.867 258 HA ARG 35 HA ARG 35 -9.998 -7.107 3.113 259 1HB ARG 35 HB1 ARG 35 -7.658 -7.879 1.925 260 2HB ARG 35 HB2 ARG 35 -8.731 -8.030 0.548 261 1HG ARG 35 HG1 ARG 35 -9.486 -5.574 1.683 262 2HG ARG 35 HG2 ARG 35 -7.746 -5.596 1.896 263 1HD ARG 35 HD1 ARG 35 -7.724 -4.800 -0.261 264 2HD ARG 35 HD2 ARG 35 -7.892 -6.491 -0.687 265 HE ARG 35 HE ARG 35 -10.051 -6.039 -1.446 266 1HH1 ARG 35 HH1 ARG 35 -12.155 -3.304 -0.929 267 2HH1 ARG 35 HH1 ARG 35 -11.937 -4.794 -1.784 268 1HH2 ARG 35 HH2 ARG 35 -10.532 -2.571 0.559 269 2HH2 ARG 35 HH2 ARG 35 -9.103 -3.515 0.816 270 H TYR 36 H TYR 36 -11.394 -9.881 2.917 271 HA TYR 36 HA TYR 36 -12.951 -10.934 1.681 272 1HB TYR 36 HB1 TYR 36 -13.978 -8.108 1.139 273 2HB TYR 36 HB2 TYR 36 -14.908 -9.506 1.644 274 HD1 TYR 36 HD1 TYR 36 -13.412 -6.480 2.714 275 HD2 TYR 36 HD2 TYR 36 -14.374 -10.426 4.060 276 HE1 TYR 36 HE1 TYR 36 -13.301 -5.691 5.128 277 HE2 TYR 36 HE2 TYR 36 -14.260 -9.624 6.470 278 HH TYR 36 HH TYR 36 -13.861 -6.215 7.217 279 1HN NH2 37 HN1 NH2 237 -11.669 -11.596 -0.085 280 2HN NH2 37 HN2 NH2 237 -11.829 -10.876 -1.652 Start of MODEL 9 1 H TYR 1 H TYR 1 24.193 22.270 -1.501 2 HA TYR 1 HA TYR 1 24.197 21.480 0.569 3 1HB TYR 1 HB1 TYR 1 21.175 21.075 0.254 4 2HB TYR 1 HB2 TYR 1 22.030 21.585 1.696 5 HD1 TYR 1 HD1 TYR 1 23.358 23.904 1.415 6 HD2 TYR 1 HD2 TYR 1 20.008 22.681 -0.949 7 HE1 TYR 1 HE1 TYR 1 22.871 26.331 0.836 8 HE2 TYR 1 HE2 TYR 1 19.533 25.113 -1.520 9 HH TYR 1 HH TYR 1 21.649 27.696 -0.304 10 HA PRO 2 HA PRO 2 23.989 17.161 0.481 11 1HB PRO 2 HB1 PRO 2 23.954 16.491 3.130 12 2HB PRO 2 HB2 PRO 2 25.413 16.959 2.279 13 1HG PRO 2 HG1 PRO 2 23.809 18.524 4.207 14 2HG PRO 2 HG2 PRO 2 25.459 18.790 3.681 15 1HD PRO 2 HD1 PRO 2 23.134 20.245 2.842 16 2HD PRO 2 HD2 PRO 2 24.766 20.433 2.230 17 H SER 3 H SER 3 21.561 18.669 2.488 18 HA SER 3 HA SER 3 19.945 16.479 2.779 19 1HB SER 3 HB1 SER 3 19.763 19.353 3.144 20 2HB SER 3 HB2 SER 3 18.262 18.769 2.454 21 HG SER 3 HG SER 3 19.488 18.100 4.954 22 H LYS 4 H LYS 4 17.728 16.136 1.694 23 HA LYS 4 HA LYS 4 17.996 16.656 -1.186 24 1HB LYS 4 HB1 LYS 4 16.456 14.316 -0.108 25 2HB LYS 4 HB2 LYS 4 17.215 14.527 -1.673 26 1HG LYS 4 HG1 LYS 4 18.930 13.284 -0.833 27 2HG LYS 4 HG2 LYS 4 19.397 14.736 0.031 28 1HD LYS 4 HD1 LYS 4 18.785 13.866 2.049 29 2HD LYS 4 HD2 LYS 4 17.247 13.295 1.432 30 1HE LYS 4 HE1 LYS 4 18.298 11.280 0.498 31 2HE LYS 4 HE2 LYS 4 19.898 11.876 0.895 32 1HZ LYS 4 HZ1 LYS 4 19.644 11.295 3.014 33 2HZ LYS 4 HZ2 LYS 4 18.086 11.777 3.110 34 3HZ LYS 4 HZ3 LYS 4 18.451 10.317 2.477 35 HA PRO 5 HA PRO 5 14.310 18.844 0.026 36 1HB PRO 5 HB1 PRO 5 14.597 20.925 -1.723 37 2HB PRO 5 HB2 PRO 5 15.232 20.951 -0.090 38 1HG PRO 5 HG1 PRO 5 16.686 20.587 -2.638 39 2HG PRO 5 HG2 PRO 5 17.319 21.037 -1.067 40 1HD PRO 5 HD1 PRO 5 17.500 18.462 -2.317 41 2HD PRO 5 HD2 PRO 5 18.030 18.882 -0.701 42 H ASP 6 H ASP 6 15.457 18.025 -3.160 43 HA ASP 6 HA ASP 6 12.676 17.896 -3.987 44 1HB ASP 6 HB1 ASP 6 13.572 17.785 -6.289 45 2HB ASP 6 HB2 ASP 6 14.201 19.187 -5.446 46 H ASN 7 H ASN 7 11.765 15.860 -4.548 47 HA ASN 7 HA ASN 7 13.567 13.635 -4.847 48 1HB ASN 7 HB1 ASN 7 11.548 13.953 -2.603 49 2HB ASN 7 HB2 ASN 7 11.839 12.350 -3.248 50 1HD2 ASN 7 HD2 ASN 7 12.523 13.985 -0.711 51 2HD2 ASN 7 HD2 ASN 7 14.184 13.611 -0.395 52 HA PRO 8 HA PRO 8 10.303 12.866 -7.706 53 1HB PRO 8 HB1 PRO 8 11.225 10.529 -8.780 54 2HB PRO 8 HB2 PRO 8 11.775 12.107 -9.306 55 1HG PRO 8 HG1 PRO 8 13.175 10.124 -7.619 56 2HG PRO 8 HG2 PRO 8 13.843 11.487 -8.495 57 1HD PRO 8 HD1 PRO 8 13.357 11.333 -5.672 58 2HD PRO 8 HD2 PRO 8 13.915 12.734 -6.564 59 H GLY 9 H GLY 9 10.832 11.280 -4.893 60 1HA GLY 9 HA1 GLY 9 8.511 9.506 -5.355 61 2HA GLY 9 HA2 GLY 9 9.808 9.199 -4.218 62 H GLU 10 H GLU 10 10.172 11.081 -2.529 63 HA GLU 10 HA GLU 10 8.130 11.185 -0.850 64 1HB GLU 10 HB1 GLU 10 9.921 12.132 0.188 65 2HB GLU 10 HB2 GLU 10 10.548 12.809 -1.302 66 1HG GLU 10 HG1 GLU 10 9.124 14.746 -1.152 67 2HG GLU 10 HG2 GLU 10 8.109 14.006 0.070 68 H ASP 11 H ASP 11 8.830 13.739 -3.342 69 HA ASP 11 HA ASP 11 6.504 15.173 -2.719 70 1HB ASP 11 HB1 ASP 11 8.484 15.158 -5.015 71 2HB ASP 11 HB2 ASP 11 7.023 16.117 -5.149 72 H ALA 12 H ALA 12 4.544 15.368 -4.103 73 HA ALA 12 HA ALA 12 2.898 14.610 -5.374 74 1HB ALA 12 HB1 ALA 12 3.852 12.806 -7.207 75 2HB ALA 12 HB2 ALA 12 3.900 14.573 -7.413 76 3HB ALA 12 HB3 ALA 12 5.332 13.709 -6.804 77 HA PRO 13 HA PRO 13 2.561 10.920 -2.861 78 1HB PRO 13 HB1 PRO 13 0.183 11.558 -1.674 79 2HB PRO 13 HB2 PRO 13 1.740 11.953 -0.974 80 1HG PRO 13 HG1 PRO 13 -0.188 13.737 -2.328 81 2HG PRO 13 HG2 PRO 13 1.141 14.161 -1.268 82 1HD PRO 13 HD1 PRO 13 1.087 14.390 -4.126 83 2HD PRO 13 HD2 PRO 13 2.454 14.703 -3.075 84 H ALA 14 H ALA 14 0.803 12.288 -5.364 85 HA ALA 14 HA ALA 14 -1.277 10.415 -5.536 86 1HB ALA 14 HB1 ALA 14 -0.169 12.634 -7.053 87 2HB ALA 14 HB2 ALA 14 -0.622 11.296 -8.136 88 3HB ALA 14 HB3 ALA 14 -1.831 11.997 -7.034 89 H GLU 15 H GLU 15 2.147 10.409 -6.544 90 HA GLU 15 HA GLU 15 1.784 8.053 -8.111 91 1HB GLU 15 HB1 GLU 15 3.530 9.988 -8.419 92 2HB GLU 15 HB2 GLU 15 4.458 9.150 -7.191 93 1HG GLU 15 HG1 GLU 15 4.084 7.011 -8.675 94 2HG GLU 15 HG2 GLU 15 3.640 8.143 -9.938 95 H ASP 16 H ASP 16 2.193 8.813 -4.771 96 HA ASP 16 HA ASP 16 3.627 6.440 -4.131 97 1HB ASP 16 HB1 ASP 16 2.629 8.845 -2.753 98 2HB ASP 16 HB2 ASP 16 2.377 7.403 -1.791 99 H LEU 17 H LEU 17 0.257 7.755 -3.848 100 HA LEU 17 HA LEU 17 -0.945 5.760 -2.441 101 1HB LEU 17 HB1 LEU 17 -1.715 8.007 -3.851 102 2HB LEU 17 HB2 LEU 17 -2.546 6.712 -4.692 103 HG LEU 17 HG LEU 17 -3.990 7.639 -3.003 104 1HD1 LEU 17 HD1 LEU 17 -2.962 4.875 -2.328 105 2HD1 LEU 17 HD1 LEU 17 -4.428 5.586 -1.612 106 3HD1 LEU 17 HD1 LEU 17 -4.337 5.315 -3.369 107 1HD2 LEU 17 HD2 LEU 17 -2.285 8.582 -1.523 108 2HD2 LEU 17 HD2 LEU 17 -3.459 7.597 -0.619 109 3HD2 LEU 17 HD2 LEU 17 -1.843 6.946 -0.979 110 H ALA 18 H ALA 18 -0.299 5.877 -6.001 111 HA ALA 18 HA ALA 18 -1.518 3.454 -6.608 112 1HB ALA 18 HB1 ALA 18 -0.029 5.487 -7.911 113 2HB ALA 18 HB2 ALA 18 0.813 3.955 -8.252 114 3HB ALA 18 HB3 ALA 18 -0.910 4.135 -8.661 115 H ARG 19 H ARG 19 1.903 4.240 -5.703 116 HA ARG 19 HA ARG 19 2.865 1.693 -5.982 117 1HB ARG 19 HB1 ARG 19 3.737 3.767 -3.906 118 2HB ARG 19 HB2 ARG 19 4.716 2.442 -4.504 119 1HG ARG 19 HG1 ARG 19 3.601 4.144 -6.664 120 2HG ARG 19 HG2 ARG 19 4.657 5.016 -5.571 121 1HD ARG 19 HD1 ARG 19 5.834 2.421 -6.206 122 2HD ARG 19 HD2 ARG 19 5.424 3.261 -7.689 123 HE ARG 19 HE ARG 19 6.644 5.237 -6.190 124 1HH1 ARG 19 HH1 ARG 19 10.023 4.460 -6.579 125 2HH1 ARG 19 HH1 ARG 19 8.881 5.701 -6.185 126 1HH2 ARG 19 HH2 ARG 19 9.281 2.326 -7.113 127 2HH2 ARG 19 HH2 ARG 19 7.585 1.975 -7.116 128 H TYR 20 H TYR 20 0.717 3.069 -3.591 129 HA TYR 20 HA TYR 20 1.289 0.962 -1.659 130 1HB TYR 20 HB1 TYR 20 0.929 3.092 -0.626 131 2HB TYR 20 HB2 TYR 20 -0.190 3.606 -1.873 132 HD1 TYR 20 HD1 TYR 20 -2.568 2.990 -1.767 133 HD2 TYR 20 HD2 TYR 20 0.166 1.803 1.302 134 HE1 TYR 20 HE1 TYR 20 -4.519 2.428 -0.236 135 HE2 TYR 20 HE2 TYR 20 -1.794 1.245 2.823 136 HH TYR 20 HH TYR 20 -5.022 2.162 2.011 137 H TYR 21 H TYR 21 -0.702 1.535 -4.397 138 HA TYR 21 HA TYR 21 -2.831 -0.182 -3.358 139 1HB TYR 21 HB1 TYR 21 -2.443 2.035 -5.278 140 2HB TYR 21 HB2 TYR 21 -3.214 0.682 -6.081 141 HD1 TYR 21 HD1 TYR 21 -3.595 3.289 -3.531 142 HD2 TYR 21 HD2 TYR 21 -5.461 -0.069 -5.414 143 HE1 TYR 21 HE1 TYR 21 -5.843 3.989 -2.569 144 HE2 TYR 21 HE2 TYR 21 -7.702 0.643 -4.447 145 HH TYR 21 HH TYR 21 -7.914 3.272 -2.136 146 H SER 22 H SER 22 -0.106 -0.057 -5.630 147 HA SER 22 HA SER 22 -0.993 -2.374 -7.029 148 1HB SER 22 HB1 SER 22 0.906 -0.298 -7.452 149 2HB SER 22 HB2 SER 22 1.840 -1.778 -7.371 150 HG SER 22 HG SER 22 -0.538 -1.861 -8.925 151 H ALA 23 H ALA 23 1.157 -1.545 -4.308 152 HA ALA 23 HA ALA 23 2.331 -4.175 -4.234 153 1HB ALA 23 HB1 ALA 23 3.899 -2.783 -3.370 154 2HB ALA 23 HB2 ALA 23 2.698 -1.541 -2.944 155 3HB ALA 23 HB3 ALA 23 2.967 -2.928 -1.861 156 H LEU 24 H LEU 24 -0.501 -2.508 -3.014 157 HA LEU 24 HA LEU 24 -0.907 -4.015 -0.689 158 1HB LEU 24 HB1 LEU 24 -2.502 -2.521 -0.471 159 2HB LEU 24 HB2 LEU 24 -2.162 -1.925 -2.084 160 HG LEU 24 HG LEU 24 -4.499 -2.364 -1.939 161 1HD1 LEU 24 HD1 LEU 24 -4.455 -3.086 -4.033 162 2HD1 LEU 24 HD1 LEU 24 -2.807 -3.715 -3.797 163 3HD1 LEU 24 HD1 LEU 24 -4.212 -4.753 -3.459 164 1HD2 LEU 24 HD2 LEU 24 -5.376 -3.902 -0.606 165 2HD2 LEU 24 HD2 LEU 24 -4.628 -5.204 -1.561 166 3HD2 LEU 24 HD2 LEU 24 -3.737 -4.469 -0.207 167 H ARG 25 H ARG 25 -0.894 -4.917 -3.998 168 HA ARG 25 HA ARG 25 -2.893 -6.918 -3.722 169 1HB ARG 25 HB1 ARG 25 -2.142 -5.656 -5.891 170 2HB ARG 25 HB2 ARG 25 -0.790 -6.771 -5.924 171 1HG ARG 25 HG1 ARG 25 -2.197 -8.133 -7.101 172 2HG ARG 25 HG2 ARG 25 -2.879 -8.527 -5.535 173 1HD ARG 25 HD1 ARG 25 -4.824 -7.387 -5.956 174 2HD ARG 25 HD2 ARG 25 -3.985 -6.022 -6.665 175 HE ARG 25 HE ARG 25 -4.381 -6.935 -8.773 176 1HH1 ARG 25 HH1 ARG 25 -5.327 -10.145 -9.763 177 2HH1 ARG 25 HH1 ARG 25 -5.031 -8.520 -10.285 178 1HH2 ARG 25 HH2 ARG 25 -5.064 -10.712 -7.528 179 2HH2 ARG 25 HH2 ARG 25 -4.571 -9.510 -6.382 180 H HIS 26 H HIS 26 0.705 -6.916 -4.322 181 HA HIS 26 HA HIS 26 0.990 -9.664 -3.934 182 1HB HIS 26 HB1 HIS 26 2.559 -7.685 -4.895 183 2HB HIS 26 HB2 HIS 26 3.275 -7.867 -3.306 184 HD1 HIS 26 HD1 HIS 26 5.183 -8.622 -5.370 185 HD2 HIS 26 HD2 HIS 26 2.277 -11.353 -4.068 186 HE1 HIS 26 HE1 HIS 26 6.052 -10.940 -5.987 187 H TYR 27 H TYR 27 0.598 -6.972 -1.718 188 HA TYR 27 HA TYR 27 1.760 -8.352 0.519 189 1HB TYR 27 HB1 TYR 27 1.843 -5.969 0.654 190 2HB TYR 27 HB2 TYR 27 0.319 -5.779 -0.189 191 HD1 TYR 27 HD1 TYR 27 -1.497 -5.017 1.036 192 HD2 TYR 27 HD2 TYR 27 1.597 -7.169 3.061 193 HE1 TYR 27 HE1 TYR 27 -2.670 -4.626 3.258 194 HE2 TYR 27 HE2 TYR 27 0.414 -6.771 5.276 195 HH TYR 27 HH TYR 27 -2.284 -4.599 5.513 196 H ILE 28 H ILE 28 -1.505 -7.758 -0.857 197 HA ILE 28 HA ILE 28 -2.755 -9.012 1.424 198 HB ILE 28 HB ILE 28 -3.744 -7.740 -1.115 199 1HG1 ILE 28 1HG1 ILE 28 -3.054 -6.209 0.635 200 2HG1 ILE 28 2HG1 ILE 28 -4.795 -6.160 0.437 201 1HG2 ILE 28 1HG2 ILE 28 -6.056 -8.144 -0.194 202 2HG2 ILE 28 2HG2 ILE 28 -5.226 -9.576 -0.849 203 3HG2 ILE 28 3HG2 ILE 28 -5.326 -9.333 0.911 204 1HD1 ILE 28 1HD1 ILE 28 -4.923 -6.500 2.680 205 2HD1 ILE 28 2HD1 ILE 28 -4.434 -8.179 2.347 206 3HD1 ILE 28 3HD1 ILE 28 -3.207 -6.963 2.778 207 H ASN 29 H ASN 29 -1.044 -10.066 -1.276 208 HA ASN 29 HA ASN 29 -2.607 -12.055 -2.306 209 1HB ASN 29 HB1 ASN 29 -0.454 -11.442 -3.315 210 2HB ASN 29 HB2 ASN 29 0.418 -11.907 -1.868 211 1HD2 ASN 29 HD2 ASN 29 -1.627 -13.095 -4.488 212 2HD2 ASN 29 HD2 ASN 29 -1.029 -14.720 -4.533 213 H LEU 30 H LEU 30 -0.821 -11.780 0.754 214 HA LEU 30 HA LEU 30 -0.863 -14.590 1.311 215 1HB LEU 30 HB1 LEU 30 0.863 -13.821 2.470 216 2HB LEU 30 HB2 LEU 30 0.282 -12.169 2.434 217 HG LEU 30 HG LEU 30 -1.264 -12.730 4.332 218 1HD1 LEU 30 HD1 LEU 30 -1.578 -14.814 5.017 219 2HD1 LEU 30 HD1 LEU 30 -0.504 -15.379 3.715 220 3HD1 LEU 30 HD1 LEU 30 0.164 -15.016 5.324 221 1HD2 LEU 30 HD2 LEU 30 1.063 -11.680 4.516 222 2HD2 LEU 30 HD2 LEU 30 0.357 -12.385 5.990 223 3HD2 LEU 30 HD2 LEU 30 1.605 -13.277 5.087 224 H ALA 31 H ALA 31 -3.120 -11.978 1.432 225 HA ALA 31 HA ALA 31 -4.642 -13.123 3.608 226 1HB ALA 31 HB1 ALA 31 -6.059 -11.102 2.136 227 2HB ALA 31 HB2 ALA 31 -5.348 -10.998 3.764 228 3HB ALA 31 HB3 ALA 31 -4.371 -10.576 2.338 229 1HN AIB 32 1HN AIB 32 -4.530 -15.214 2.089 230 1HB1 AIB 32 1HB1 AIB 32 -5.041 -16.979 -0.624 231 2HB1 AIB 32 2HB1 AIB 32 -5.896 -17.946 0.607 232 3HB1 AIB 32 3HB1 AIB 32 -4.406 -17.091 1.041 233 1HB2 AIB 32 1HB2 AIB 32 -7.630 -14.528 -0.290 234 2HB2 AIB 32 2HB2 AIB 32 -6.794 -15.708 -1.313 235 3HB2 AIB 32 3HB2 AIB 32 -5.929 -14.250 -0.755 236 H ARG 33 H ARG 33 -6.252 -16.386 3.373 237 HA ARG 33 HA ARG 33 -9.139 -16.680 3.198 238 1HB ARG 33 HB1 ARG 33 -7.568 -18.450 5.079 239 2HB ARG 33 HB2 ARG 33 -9.122 -18.750 4.327 240 1HG ARG 33 HG1 ARG 33 -6.488 -18.654 2.784 241 2HG ARG 33 HG2 ARG 33 -7.207 -20.135 3.385 242 1HD ARG 33 HD1 ARG 33 -8.931 -18.305 1.710 243 2HD ARG 33 HD2 ARG 33 -7.699 -19.247 0.894 244 HE ARG 33 HE ARG 33 -10.144 -20.272 2.125 245 1HH1 ARG 33 HH1 ARG 33 -9.328 -23.599 1.463 246 2HH1 ARG 33 HH1 ARG 33 -10.584 -22.507 1.941 247 1HH2 ARG 33 HH2 ARG 33 -7.199 -22.794 1.010 248 2HH2 ARG 33 HH2 ARG 33 -6.866 -21.100 1.150 249 H GLN 34 H GLN 34 -6.199 -16.181 5.235 250 HA GLN 34 HA GLN 34 -7.383 -15.648 7.614 251 1HB GLN 34 HB1 GLN 34 -4.845 -14.778 6.270 252 2HB GLN 34 HB2 GLN 34 -5.306 -13.910 7.721 253 1HG GLN 34 HG1 GLN 34 -4.138 -15.642 8.719 254 2HG GLN 34 HG2 GLN 34 -5.718 -16.397 8.662 255 1HE2 GLN 34 1HE2 GLN 34 -2.482 -16.519 7.678 256 2HE2 GLN 34 2HE2 GLN 34 -2.550 -17.876 6.604 257 H ARG 35 H ARG 35 -7.570 -13.832 4.646 258 HA ARG 35 HA ARG 35 -8.227 -11.395 5.993 259 1HB ARG 35 HB1 ARG 35 -7.153 -11.974 3.506 260 2HB ARG 35 HB2 ARG 35 -8.822 -11.656 3.077 261 1HG ARG 35 HG1 ARG 35 -8.261 -9.586 4.866 262 2HG ARG 35 HG2 ARG 35 -6.733 -9.783 4.031 263 1HD ARG 35 HD1 ARG 35 -7.662 -8.456 2.415 264 2HD ARG 35 HD2 ARG 35 -8.504 -9.908 1.909 265 HE ARG 35 HE ARG 35 -10.500 -9.094 2.881 266 1HH1 ARG 35 HH1 ARG 35 -11.084 -6.006 4.398 267 2HH1 ARG 35 HH1 ARG 35 -11.814 -7.430 3.735 268 1HH2 ARG 35 HH2 ARG 35 -8.774 -5.788 4.419 269 2HH2 ARG 35 HH2 ARG 35 -7.779 -7.049 3.772 270 H TYR 36 H TYR 36 -9.854 -14.067 6.113 271 HA TYR 36 HA TYR 36 -12.420 -12.802 5.990 272 1HB TYR 36 HB1 TYR 36 -11.907 -15.327 4.330 273 2HB TYR 36 HB2 TYR 36 -13.298 -14.266 4.236 274 HD1 TYR 36 HD1 TYR 36 -9.851 -14.819 3.141 275 HD2 TYR 36 HD2 TYR 36 -13.157 -12.106 3.040 276 HE1 TYR 36 HE1 TYR 36 -8.775 -13.569 1.206 277 HE2 TYR 36 HE2 TYR 36 -12.071 -10.865 1.106 278 HH TYR 36 HH TYR 36 -9.023 -12.023 -0.294 279 1HN NH2 37 HN1 NH2 237 -10.919 -16.048 5.850 280 2HN NH2 37 HN2 NH2 237 -11.661 -16.670 7.286 Start of MODEL 10 1 H TYR 1 H TYR 1 3.798 3.838 -21.285 2 HA TYR 1 HA TYR 1 4.998 4.014 -18.789 3 1HB TYR 1 HB1 TYR 1 6.792 2.739 -20.920 4 2HB TYR 1 HB2 TYR 1 7.105 2.846 -19.199 5 HD1 TYR 1 HD1 TYR 1 5.291 1.015 -21.826 6 HD2 TYR 1 HD2 TYR 1 6.126 1.246 -17.636 7 HE1 TYR 1 HE1 TYR 1 4.360 -1.329 -21.504 8 HE2 TYR 1 HE2 TYR 1 5.192 -1.099 -17.328 9 HH TYR 1 HH TYR 1 3.478 -2.703 -19.862 10 HA PRO 2 HA PRO 2 5.791 7.237 -21.930 11 1HB PRO 2 HB1 PRO 2 4.173 9.204 -20.940 12 2HB PRO 2 HB2 PRO 2 3.686 8.121 -22.229 13 1HG PRO 2 HG1 PRO 2 2.866 8.109 -19.389 14 2HG PRO 2 HG2 PRO 2 2.094 7.335 -20.758 15 1HD PRO 2 HD1 PRO 2 3.706 6.066 -18.753 16 2HD PRO 2 HD2 PRO 2 3.030 5.315 -20.185 17 H SER 3 H SER 3 6.442 9.690 -21.509 18 HA SER 3 HA SER 3 8.292 9.395 -19.307 19 1HB SER 3 HB1 SER 3 8.517 10.438 -21.915 20 2HB SER 3 HB2 SER 3 8.535 11.858 -20.888 21 HG SER 3 HG SER 3 10.393 9.706 -21.043 22 H LYS 4 H LYS 4 8.663 11.313 -17.839 23 HA LYS 4 HA LYS 4 6.154 12.799 -17.474 24 1HB LYS 4 HB1 LYS 4 8.027 12.258 -15.198 25 2HB LYS 4 HB2 LYS 4 6.299 12.548 -15.180 26 1HG LYS 4 HG1 LYS 4 6.322 10.258 -16.652 27 2HG LYS 4 HG2 LYS 4 7.795 10.004 -15.738 28 1HD LYS 4 HD1 LYS 4 5.856 10.968 -13.868 29 2HD LYS 4 HD2 LYS 4 5.035 9.769 -14.847 30 1HE LYS 4 HE1 LYS 4 7.737 9.300 -13.499 31 2HE LYS 4 HE2 LYS 4 6.204 8.822 -12.800 32 1HZ LYS 4 HZ1 LYS 4 5.814 7.400 -14.645 33 2HZ LYS 4 HZ2 LYS 4 7.138 7.934 -15.439 34 3HZ LYS 4 HZ3 LYS 4 7.304 7.064 -14.067 35 HA PRO 5 HA PRO 5 8.490 16.414 -17.766 36 1HB PRO 5 HB1 PRO 5 7.112 18.158 -16.176 37 2HB PRO 5 HB2 PRO 5 6.606 17.738 -17.800 38 1HG PRO 5 HG1 PRO 5 5.474 16.849 -15.218 39 2HG PRO 5 HG2 PRO 5 4.748 16.795 -16.812 40 1HD PRO 5 HD1 PRO 5 5.890 14.594 -15.370 41 2HD PRO 5 HD2 PRO 5 5.269 14.564 -17.008 42 H ASP 6 H ASP 6 7.690 15.654 -14.424 43 HA ASP 6 HA ASP 6 8.967 15.537 -12.667 44 1HB ASP 6 HB1 ASP 6 11.460 16.339 -14.188 45 2HB ASP 6 HB2 ASP 6 11.325 15.267 -12.808 46 H ASN 7 H ASN 7 8.019 17.482 -11.769 47 HA ASN 7 HA ASN 7 9.839 19.716 -11.785 48 1HB ASN 7 HB1 ASN 7 7.056 19.729 -12.919 49 2HB ASN 7 HB2 ASN 7 7.460 21.092 -11.896 50 1HD2 ASN 7 HD2 ASN 7 7.478 19.935 -14.972 51 2HD2 ASN 7 HD2 ASN 7 8.683 20.940 -15.705 52 HA PRO 8 HA PRO 8 8.397 19.843 -7.646 53 1HB PRO 8 HB1 PRO 8 8.862 22.436 -6.919 54 2HB PRO 8 HB2 PRO 8 10.120 21.218 -6.979 55 1HG PRO 8 HG1 PRO 8 9.591 23.429 -8.868 56 2HG PRO 8 HG2 PRO 8 11.052 22.482 -8.667 57 1HD PRO 8 HD1 PRO 8 9.107 22.214 -10.758 58 2HD PRO 8 HD2 PRO 8 10.506 21.193 -10.491 59 H GLY 9 H GLY 9 6.230 19.479 -8.943 60 1HA GLY 9 HA1 GLY 9 4.292 20.917 -7.466 61 2HA GLY 9 HA2 GLY 9 4.401 21.569 -9.089 62 H GLU 10 H GLU 10 4.720 19.573 -10.827 63 HA GLU 10 HA GLU 10 2.320 18.450 -11.128 64 1HB GLU 10 HB1 GLU 10 3.509 18.060 -13.030 65 2HB GLU 10 HB2 GLU 10 5.032 17.948 -12.169 66 1HG GLU 10 HG1 GLU 10 4.487 15.783 -13.223 67 2HG GLU 10 HG2 GLU 10 4.499 15.621 -11.478 68 H ASP 11 H ASP 11 5.140 17.013 -9.376 69 HA ASP 11 HA ASP 11 4.279 14.548 -8.897 70 1HB ASP 11 HB1 ASP 11 5.419 14.755 -6.629 71 2HB ASP 11 HB2 ASP 11 6.385 15.281 -7.994 72 H ALA 12 H ALA 12 2.970 13.514 -7.180 73 HA ALA 12 HA ALA 12 1.467 15.159 -5.385 74 1HB ALA 12 HB1 ALA 12 -0.586 15.154 -6.392 75 2HB ALA 12 HB2 ALA 12 0.394 15.067 -7.875 76 3HB ALA 12 HB3 ALA 12 -0.311 13.585 -7.186 77 HA PRO 13 HA PRO 13 1.343 11.361 -3.321 78 1HB PRO 13 HB1 PRO 13 -0.922 11.521 -1.800 79 2HB PRO 13 HB2 PRO 13 0.578 12.321 -1.373 80 1HG PRO 13 HG1 PRO 13 -1.899 13.496 -2.479 81 2HG PRO 13 HG2 PRO 13 -0.574 14.299 -1.661 82 1HD PRO 13 HD1 PRO 13 -1.092 14.282 -4.482 83 2HD PRO 13 HD2 PRO 13 0.295 14.987 -3.676 84 H ALA 14 H ALA 14 -1.022 12.078 -5.578 85 HA ALA 14 HA ALA 14 -2.528 9.693 -5.323 86 1HB ALA 14 HB1 ALA 14 -2.638 10.679 -7.989 87 2HB ALA 14 HB2 ALA 14 -3.812 10.942 -6.677 88 3HB ALA 14 HB3 ALA 14 -2.481 12.097 -6.925 89 H GLU 15 H GLU 15 0.484 10.646 -6.983 90 HA GLU 15 HA GLU 15 0.519 8.229 -8.503 91 1HB GLU 15 HB1 GLU 15 1.478 10.466 -9.268 92 2HB GLU 15 HB2 GLU 15 2.767 10.247 -8.100 93 1HG GLU 15 HG1 GLU 15 2.736 7.792 -9.438 94 2HG GLU 15 HG2 GLU 15 2.358 8.927 -10.718 95 H ASP 16 H ASP 16 1.335 9.198 -5.300 96 HA ASP 16 HA ASP 16 3.468 7.304 -5.044 97 1HB ASP 16 HB1 ASP 16 2.073 9.277 -3.221 98 2HB ASP 16 HB2 ASP 16 3.040 8.005 -2.503 99 H LEU 17 H LEU 17 0.083 7.861 -3.844 100 HA LEU 17 HA LEU 17 -0.190 5.677 -2.221 101 1HB LEU 17 HB1 LEU 17 -1.786 7.702 -3.161 102 2HB LEU 17 HB2 LEU 17 -2.542 6.288 -3.867 103 HG LEU 17 HG LEU 17 -2.033 5.626 -1.163 104 1HD1 LEU 17 HD1 LEU 17 -1.912 7.623 -0.144 105 2HD1 LEU 17 HD1 LEU 17 -2.623 8.493 -1.525 106 3HD1 LEU 17 HD1 LEU 17 -3.678 7.644 -0.369 107 1HD2 LEU 17 HD2 LEU 17 -4.317 5.934 -2.992 108 2HD2 LEU 17 HD2 LEU 17 -3.931 4.641 -1.831 109 3HD2 LEU 17 HD2 LEU 17 -4.716 6.137 -1.270 110 H ALA 18 H ALA 18 0.166 5.823 -5.707 111 HA ALA 18 HA ALA 18 -1.099 3.445 -6.406 112 1HB ALA 18 HB1 ALA 18 -0.529 4.539 -8.309 113 2HB ALA 18 HB2 ALA 18 0.867 5.336 -7.545 114 3HB ALA 18 HB3 ALA 18 1.017 3.671 -8.156 115 H ARG 19 H ARG 19 2.318 4.126 -5.401 116 HA ARG 19 HA ARG 19 3.217 1.558 -5.696 117 1HB ARG 19 HB1 ARG 19 5.116 2.251 -4.386 118 2HB ARG 19 HB2 ARG 19 4.564 3.696 -5.209 119 1HG ARG 19 HG1 ARG 19 4.489 4.682 -3.161 120 2HG ARG 19 HG2 ARG 19 3.050 3.728 -2.861 121 1HD ARG 19 HD1 ARG 19 4.133 2.310 -1.414 122 2HD ARG 19 HD2 ARG 19 5.563 2.213 -2.422 123 HE ARG 19 HE ARG 19 5.764 4.764 -1.465 124 1HH1 ARG 19 HH1 ARG 19 6.758 4.327 1.851 125 2HH1 ARG 19 HH1 ARG 19 6.717 5.418 0.506 126 1HH2 ARG 19 HH2 ARG 19 5.845 2.203 1.651 127 2HH2 ARG 19 HH2 ARG 19 5.123 1.708 0.157 128 H TYR 20 H TYR 20 1.054 2.959 -3.332 129 HA TYR 20 HA TYR 20 1.523 0.810 -1.420 130 1HB TYR 20 HB1 TYR 20 1.196 2.934 -0.365 131 2HB TYR 20 HB2 TYR 20 0.120 3.496 -1.629 132 HD1 TYR 20 HD1 TYR 20 -2.197 3.515 -1.274 133 HD2 TYR 20 HD2 TYR 20 0.276 1.067 1.215 134 HE1 TYR 20 HE1 TYR 20 -4.197 2.983 0.202 135 HE2 TYR 20 HE2 TYR 20 -1.732 0.543 2.683 136 HH TYR 20 HH TYR 20 -3.897 0.694 2.888 137 H TYR 21 H TYR 21 -0.389 1.477 -4.194 138 HA TYR 21 HA TYR 21 -2.587 -0.196 -3.229 139 1HB TYR 21 HB1 TYR 21 -2.094 2.035 -5.108 140 2HB TYR 21 HB2 TYR 21 -2.882 0.714 -5.948 141 HD1 TYR 21 HD1 TYR 21 -5.184 0.865 -6.089 142 HD2 TYR 21 HD2 TYR 21 -3.232 2.448 -2.627 143 HE1 TYR 21 HE1 TYR 21 -7.427 1.621 -5.161 144 HE2 TYR 21 HE2 TYR 21 -5.481 3.199 -1.711 145 HH TYR 21 HH TYR 21 -8.461 2.231 -3.231 146 H SER 22 H SER 22 0.195 -0.117 -5.433 147 HA SER 22 HA SER 22 -0.722 -2.389 -6.886 148 1HB SER 22 HB1 SER 22 0.667 -0.703 -8.000 149 2HB SER 22 HB2 SER 22 1.950 -0.923 -6.827 150 HG SER 22 HG SER 22 1.222 -2.532 -9.035 151 H ALA 23 H ALA 23 1.389 -1.656 -4.106 152 HA ALA 23 HA ALA 23 2.487 -4.318 -4.041 153 1HB ALA 23 HB1 ALA 23 2.708 -2.484 -1.701 154 2HB ALA 23 HB2 ALA 23 3.962 -3.433 -2.534 155 3HB ALA 23 HB3 ALA 23 3.400 -1.896 -3.232 156 H LEU 24 H LEU 24 -0.326 -2.590 -2.864 157 HA LEU 24 HA LEU 24 -0.829 -4.111 -0.568 158 1HB LEU 24 HB1 LEU 24 -2.394 -2.583 -0.374 159 2HB LEU 24 HB2 LEU 24 -1.994 -1.976 -1.968 160 HG LEU 24 HG LEU 24 -4.344 -2.358 -1.896 161 1HD1 LEU 24 HD1 LEU 24 -2.635 -3.729 -3.721 162 2HD1 LEU 24 HD1 LEU 24 -4.075 -4.736 -3.436 163 3HD1 LEU 24 HD1 LEU 24 -4.261 -3.057 -3.996 164 1HD2 LEU 24 HD2 LEU 24 -5.300 -3.888 -0.609 165 2HD2 LEU 24 HD2 LEU 24 -4.552 -5.199 -1.554 166 3HD2 LEU 24 HD2 LEU 24 -3.687 -4.497 -0.166 167 H ARG 25 H ARG 25 -0.757 -4.979 -3.886 168 HA ARG 25 HA ARG 25 -2.805 -6.943 -3.665 169 1HB ARG 25 HB1 ARG 25 -2.010 -5.662 -5.807 170 2HB ARG 25 HB2 ARG 25 -0.678 -6.800 -5.844 171 1HG ARG 25 HG1 ARG 25 -2.313 -7.817 -7.230 172 2HG ARG 25 HG2 ARG 25 -2.479 -8.670 -5.708 173 1HD ARG 25 HD1 ARG 25 -4.243 -6.662 -5.229 174 2HD ARG 25 HD2 ARG 25 -4.335 -6.670 -6.979 175 HE ARG 25 HE ARG 25 -4.512 -9.362 -5.893 176 1HH1 ARG 25 HH1 ARG 25 -7.973 -9.565 -6.285 177 2HH1 ARG 25 HH1 ARG 25 -6.516 -10.455 -5.993 178 1HH2 ARG 25 HH2 ARG 25 -7.890 -7.264 -6.574 179 2HH2 ARG 25 HH2 ARG 25 -6.370 -6.436 -6.499 180 H HIS 26 H HIS 26 0.782 -7.047 -4.336 181 HA HIS 26 HA HIS 26 1.034 -9.777 -3.977 182 1HB HIS 26 HB1 HIS 26 2.651 -7.774 -4.814 183 2HB HIS 26 HB2 HIS 26 3.328 -8.047 -3.221 184 HD1 HIS 26 HD1 HIS 26 3.784 -9.112 -6.579 185 HD2 HIS 26 HD2 HIS 26 3.775 -11.091 -2.880 186 HE1 HIS 26 HE1 HIS 26 5.030 -11.310 -6.940 187 H TYR 27 H TYR 27 0.615 -7.166 -1.672 188 HA TYR 27 HA TYR 27 1.698 -8.655 0.540 189 1HB TYR 27 HB1 TYR 27 1.834 -6.283 0.772 190 2HB TYR 27 HB2 TYR 27 0.340 -6.022 -0.106 191 HD1 TYR 27 HD1 TYR 27 -0.804 -4.571 1.374 192 HD2 TYR 27 HD2 TYR 27 0.801 -8.255 2.844 193 HE1 TYR 27 HE1 TYR 27 -2.033 -4.237 3.575 194 HE2 TYR 27 HE2 TYR 27 -0.433 -7.908 5.040 195 HH TYR 27 HH TYR 27 -1.306 -5.997 6.330 196 H ILE 28 H ILE 28 -1.540 -7.835 -0.818 197 HA ILE 28 HA ILE 28 -2.846 -9.220 1.351 198 HB ILE 28 HB ILE 28 -3.785 -7.726 -1.086 199 1HG1 ILE 28 1HG1 ILE 28 -2.960 -6.427 0.858 200 2HG1 ILE 28 2HG1 ILE 28 -4.650 -6.139 0.495 201 1HG2 ILE 28 1HG2 ILE 28 -6.090 -8.112 0.197 202 2HG2 ILE 28 2HG2 ILE 28 -5.504 -9.214 -1.072 203 3HG2 ILE 28 3HG2 ILE 28 -5.282 -9.634 0.643 204 1HD1 ILE 28 1HD1 ILE 28 -4.359 -8.383 2.356 205 2HD1 ILE 28 2HD1 ILE 28 -3.578 -6.912 2.982 206 3HD1 ILE 28 3HD1 ILE 28 -5.301 -6.883 2.536 207 H ASN 29 H ASN 29 -1.167 -10.129 -1.417 208 HA ASN 29 HA ASN 29 -2.831 -11.981 -2.574 209 1HB ASN 29 HB1 ASN 29 -0.595 -11.227 -3.474 210 2HB ASN 29 HB2 ASN 29 0.209 -12.130 -2.206 211 1HD2 ASN 29 HD2 ASN 29 1.266 -13.203 -3.978 212 2HD2 ASN 29 HD2 ASN 29 0.518 -14.551 -4.767 213 H LEU 30 H LEU 30 -1.371 -11.875 0.567 214 HA LEU 30 HA LEU 30 -1.507 -14.783 0.862 215 1HB LEU 30 HB1 LEU 30 0.484 -14.361 1.763 216 2HB LEU 30 HB2 LEU 30 0.151 -12.654 1.977 217 HG LEU 30 HG LEU 30 -1.142 -13.189 4.036 218 1HD1 LEU 30 HD1 LEU 30 -1.096 -15.803 3.044 219 2HD1 LEU 30 HD1 LEU 30 -0.043 -15.831 4.479 220 3HD1 LEU 30 HD1 LEU 30 -1.721 -15.252 4.617 221 1HD2 LEU 30 HD2 LEU 30 1.770 -13.713 3.710 222 2HD2 LEU 30 HD2 LEU 30 0.921 -12.467 4.655 223 3HD2 LEU 30 HD2 LEU 30 1.026 -14.134 5.271 224 H ALA 31 H ALA 31 -3.224 -11.838 1.441 225 HA ALA 31 HA ALA 31 -4.690 -12.986 3.682 226 1HB ALA 31 HB1 ALA 31 -4.695 -10.822 4.290 227 2HB ALA 31 HB2 ALA 31 -4.013 -10.333 2.720 228 3HB ALA 31 HB3 ALA 31 -5.776 -10.489 2.915 229 1HN AIB 32 1HN AIB 32 -5.109 -14.626 1.603 230 1HB1 AIB 32 1HB1 AIB 32 -7.327 -16.346 -0.640 231 2HB1 AIB 32 2HB1 AIB 32 -5.858 -16.449 0.367 232 3HB1 AIB 32 3HB1 AIB 32 -5.849 -15.456 -1.101 233 1HB2 AIB 32 1HB2 AIB 32 -8.343 -12.872 0.129 234 2HB2 AIB 32 2HB2 AIB 32 -7.915 -13.831 -1.298 235 3HB2 AIB 32 3HB2 AIB 32 -6.710 -12.728 -0.579 236 H ARG 33 H ARG 33 -6.824 -15.599 3.000 237 HA ARG 33 HA ARG 33 -9.695 -15.478 3.296 238 1HB ARG 33 HB1 ARG 33 -8.300 -17.991 4.233 239 2HB ARG 33 HB2 ARG 33 -9.978 -17.769 3.780 240 1HG ARG 33 HG1 ARG 33 -8.960 -17.266 1.369 241 2HG ARG 33 HG2 ARG 33 -7.565 -18.127 1.988 242 1HD ARG 33 HD1 ARG 33 -8.814 -19.882 1.046 243 2HD ARG 33 HD2 ARG 33 -9.318 -19.962 2.723 244 HE ARG 33 HE ARG 33 -11.155 -18.215 1.650 245 1HH1 ARG 33 HH1 ARG 33 -13.323 -20.349 -0.061 246 2HH1 ARG 33 HH1 ARG 33 -13.140 -18.792 0.676 247 1HH2 ARG 33 HH2 ARG 33 -11.551 -21.849 -0.059 248 2HH2 ARG 33 HH2 ARG 33 -10.047 -21.411 0.679 249 H GLN 34 H GLN 34 -6.470 -16.265 4.746 250 HA GLN 34 HA GLN 34 -7.129 -16.263 7.362 251 1HB GLN 34 HB1 GLN 34 -4.768 -16.201 5.842 252 2HB GLN 34 HB2 GLN 34 -4.629 -14.792 6.876 253 1HG GLN 34 HG1 GLN 34 -5.545 -17.386 8.121 254 2HG GLN 34 HG2 GLN 34 -3.850 -17.222 7.710 255 1HE2 GLN 34 1HE2 GLN 34 -3.860 -17.516 10.133 256 2HE2 GLN 34 2HE2 GLN 34 -3.857 -16.089 11.114 257 H ARG 35 H ARG 35 -7.210 -13.581 5.113 258 HA ARG 35 HA ARG 35 -7.169 -11.659 7.248 259 1HB ARG 35 HB1 ARG 35 -6.460 -11.597 4.521 260 2HB ARG 35 HB2 ARG 35 -7.943 -10.666 4.574 261 1HG ARG 35 HG1 ARG 35 -5.719 -10.158 6.583 262 2HG ARG 35 HG2 ARG 35 -5.672 -9.426 4.992 263 1HD ARG 35 HD1 ARG 35 -8.325 -8.999 5.964 264 2HD ARG 35 HD2 ARG 35 -7.261 -8.653 7.313 265 HE ARG 35 HE ARG 35 -6.080 -7.390 5.097 266 1HH1 ARG 35 HH1 ARG 35 -7.839 -4.376 5.159 267 2HH1 ARG 35 HH1 ARG 35 -6.416 -5.186 4.594 268 1HH2 ARG 35 HH2 ARG 35 -9.404 -5.529 6.427 269 2HH2 ARG 35 HH2 ARG 35 -9.149 -7.199 6.808 270 H TYR 36 H TYR 36 -9.338 -13.723 7.060 271 HA TYR 36 HA TYR 36 -11.550 -11.947 7.387 272 1HB TYR 36 HB1 TYR 36 -12.088 -12.129 5.109 273 2HB TYR 36 HB2 TYR 36 -10.984 -13.470 4.881 274 HD1 TYR 36 HD1 TYR 36 -14.127 -12.981 6.891 275 HD2 TYR 36 HD2 TYR 36 -12.042 -15.318 3.976 276 HE1 TYR 36 HE1 TYR 36 -16.094 -14.586 6.760 277 HE2 TYR 36 HE2 TYR 36 -14.016 -16.915 3.855 278 HH TYR 36 HH TYR 36 -17.039 -16.154 5.279 279 1HN NH2 37 HN1 NH2 237 -10.699 -15.335 6.627 280 2HN NH2 37 HN2 NH2 237 -11.533 -16.054 7.964 Start of MODEL 11 1 H TYR 1 H TYR 1 21.806 7.153 -11.318 2 HA TYR 1 HA TYR 1 22.113 8.930 -10.022 3 1HB TYR 1 HB1 TYR 1 20.617 10.635 -12.071 4 2HB TYR 1 HB2 TYR 1 21.998 11.102 -11.099 5 HD1 TYR 1 HD1 TYR 1 24.112 9.327 -11.588 6 HD2 TYR 1 HD2 TYR 1 21.070 10.550 -14.336 7 HE1 TYR 1 HE1 TYR 1 25.655 8.805 -13.540 8 HE2 TYR 1 HE2 TYR 1 22.623 10.024 -16.279 9 HH TYR 1 HH TYR 1 25.086 9.905 -16.630 10 HA PRO 2 HA PRO 2 18.344 9.507 -7.982 11 1HB PRO 2 HB1 PRO 2 18.935 11.537 -6.249 12 2HB PRO 2 HB2 PRO 2 19.395 9.870 -5.966 13 1HG PRO 2 HG1 PRO 2 21.085 12.138 -6.824 14 2HG PRO 2 HG2 PRO 2 21.575 10.604 -6.135 15 1HD PRO 2 HD1 PRO 2 21.734 11.375 -8.893 16 2HD PRO 2 HD2 PRO 2 22.115 9.802 -8.221 17 H SER 3 H SER 3 16.580 11.105 -7.299 18 HA SER 3 HA SER 3 15.543 12.204 -9.478 19 1HB SER 3 HB1 SER 3 14.387 13.859 -7.852 20 2HB SER 3 HB2 SER 3 14.175 12.145 -7.553 21 HG SER 3 HG SER 3 15.064 12.421 -5.634 22 H LYS 4 H LYS 4 15.913 13.963 -10.811 23 HA LYS 4 HA LYS 4 18.252 15.523 -10.315 24 1HB LYS 4 HB1 LYS 4 16.322 16.175 -12.505 25 2HB LYS 4 HB2 LYS 4 18.074 16.184 -12.513 26 1HG LYS 4 HG1 LYS 4 17.911 14.178 -13.585 27 2HG LYS 4 HG2 LYS 4 17.550 13.510 -12.005 28 1HD LYS 4 HD1 LYS 4 15.329 13.194 -12.498 29 2HD LYS 4 HD2 LYS 4 15.193 14.722 -13.346 30 1HE LYS 4 HE1 LYS 4 16.828 13.320 -15.075 31 2HE LYS 4 HE2 LYS 4 15.863 12.016 -14.411 32 1HZ LYS 4 HZ1 LYS 4 14.106 12.727 -15.519 33 2HZ LYS 4 HZ2 LYS 4 14.293 14.283 -15.059 34 3HZ LYS 4 HZ3 LYS 4 15.098 13.714 -16.361 35 HA PRO 5 HA PRO 5 14.923 18.816 -9.639 36 1HB PRO 5 HB1 PRO 5 12.318 18.064 -9.297 37 2HB PRO 5 HB2 PRO 5 12.966 18.602 -10.833 38 1HG PRO 5 HG1 PRO 5 12.293 15.858 -9.963 39 2HG PRO 5 HG2 PRO 5 12.528 16.467 -11.590 40 1HD PRO 5 HD1 PRO 5 14.380 14.900 -10.059 41 2HD PRO 5 HD2 PRO 5 14.660 15.606 -11.638 42 H ASP 6 H ASP 6 14.856 15.829 -7.983 43 HA ASP 6 HA ASP 6 14.921 15.330 -5.875 44 1HB ASP 6 HB1 ASP 6 15.349 18.222 -5.074 45 2HB ASP 6 HB2 ASP 6 16.015 16.779 -4.335 46 H ASN 7 H ASN 7 13.785 15.800 -3.632 47 HA ASN 7 HA ASN 7 11.835 15.910 -2.649 48 1HB ASN 7 HB1 ASN 7 12.845 18.332 -2.579 49 2HB ASN 7 HB2 ASN 7 11.617 18.745 -3.759 50 1HD2 ASN 7 HD2 ASN 7 10.387 20.054 -2.545 51 2HD2 ASN 7 HD2 ASN 7 9.490 19.574 -1.144 52 HA PRO 8 HA PRO 8 9.222 15.359 -6.303 53 1HB PRO 8 HB1 PRO 8 8.103 12.980 -5.557 54 2HB PRO 8 HB2 PRO 8 9.559 13.092 -6.526 55 1HG PRO 8 HG1 PRO 8 9.284 12.388 -3.668 56 2HG PRO 8 HG2 PRO 8 10.637 12.099 -4.744 57 1HD PRO 8 HD1 PRO 8 10.452 14.130 -2.727 58 2HD PRO 8 HD2 PRO 8 11.753 13.914 -3.880 59 H GLY 9 H GLY 9 7.165 16.032 -6.726 60 1HA GLY 9 HA1 GLY 9 4.970 15.695 -5.177 61 2HA GLY 9 HA2 GLY 9 5.777 17.048 -4.411 62 H GLU 10 H GLU 10 4.973 15.895 -7.770 63 HA GLU 10 HA GLU 10 4.460 18.683 -8.425 64 1HB GLU 10 HB1 GLU 10 4.595 16.514 -10.515 65 2HB GLU 10 HB2 GLU 10 5.033 18.205 -10.647 66 1HG GLU 10 HG1 GLU 10 7.163 17.302 -10.521 67 2HG GLU 10 HG2 GLU 10 6.869 17.528 -8.808 68 H ASP 11 H ASP 11 2.426 18.015 -6.955 69 HA ASP 11 HA ASP 11 0.319 17.470 -6.787 70 1HB ASP 11 HB1 ASP 11 0.468 18.658 -9.581 71 2HB ASP 11 HB2 ASP 11 -1.073 18.154 -8.915 72 H ALA 12 H ALA 12 0.636 15.102 -6.693 73 HA ALA 12 HA ALA 12 -0.891 13.652 -8.483 74 1HB ALA 12 HB1 ALA 12 0.987 12.324 -9.580 75 2HB ALA 12 HB2 ALA 12 0.765 13.983 -10.184 76 3HB ALA 12 HB3 ALA 12 2.093 13.617 -9.056 77 HA PRO 13 HA PRO 13 0.293 11.782 -4.535 78 1HB PRO 13 HB1 PRO 13 -2.209 11.618 -3.446 79 2HB PRO 13 HB2 PRO 13 -1.115 12.952 -3.138 80 1HG PRO 13 HG1 PRO 13 -3.509 12.881 -4.870 81 2HG PRO 13 HG2 PRO 13 -2.666 14.273 -4.220 82 1HD PRO 13 HD1 PRO 13 -2.524 13.282 -6.908 83 2HD PRO 13 HD2 PRO 13 -1.593 14.602 -6.226 84 H ALA 14 H ALA 14 -1.556 10.999 -7.195 85 HA ALA 14 HA ALA 14 -2.373 8.420 -6.311 86 1HB ALA 14 HB1 ALA 14 -2.998 8.124 -8.667 87 2HB ALA 14 HB2 ALA 14 -3.522 9.723 -8.086 88 3HB ALA 14 HB3 ALA 14 -2.074 9.579 -9.112 89 H GLU 15 H GLU 15 0.603 9.854 -7.448 90 HA GLU 15 HA GLU 15 1.645 7.413 -8.469 91 1HB GLU 15 HB1 GLU 15 2.283 9.823 -9.165 92 2HB GLU 15 HB2 GLU 15 3.237 9.886 -7.696 93 1HG GLU 15 HG1 GLU 15 4.805 9.143 -9.298 94 2HG GLU 15 HG2 GLU 15 4.313 7.650 -8.524 95 H ASP 16 H ASP 16 1.310 8.938 -5.347 96 HA ASP 16 HA ASP 16 3.464 7.355 -4.254 97 1HB ASP 16 HB1 ASP 16 3.301 8.714 -2.326 98 2HB ASP 16 HB2 ASP 16 2.934 9.825 -3.631 99 H LEU 17 H LEU 17 -0.097 7.708 -4.367 100 HA LEU 17 HA LEU 17 -0.526 5.739 -2.312 101 1HB LEU 17 HB1 LEU 17 -1.983 7.840 -3.467 102 2HB LEU 17 HB2 LEU 17 -2.835 6.379 -3.928 103 HG LEU 17 HG LEU 17 -3.792 7.225 -1.903 104 1HD1 LEU 17 HD1 LEU 17 -3.795 5.293 -0.579 105 2HD1 LEU 17 HD1 LEU 17 -3.387 4.715 -2.212 106 3HD1 LEU 17 HD1 LEU 17 -2.108 4.896 -0.988 107 1HD2 LEU 17 HD2 LEU 17 -2.243 8.616 -0.900 108 2HD2 LEU 17 HD2 LEU 17 -2.272 7.225 0.210 109 3HD2 LEU 17 HD2 LEU 17 -0.945 7.399 -0.964 110 H ALA 18 H ALA 18 0.173 5.796 -5.700 111 HA ALA 18 HA ALA 18 -1.272 3.458 -6.412 112 1HB ALA 18 HB1 ALA 18 0.564 3.598 -8.325 113 2HB ALA 18 HB2 ALA 18 -0.754 4.792 -8.237 114 3HB ALA 18 HB3 ALA 18 0.862 5.203 -7.615 115 H ARG 19 H ARG 19 2.167 4.165 -5.506 116 HA ARG 19 HA ARG 19 3.075 1.602 -5.820 117 1HB ARG 19 HB1 ARG 19 4.879 2.318 -4.154 118 2HB ARG 19 HB2 ARG 19 4.651 3.414 -5.503 119 1HG ARG 19 HG1 ARG 19 3.456 5.004 -4.170 120 2HG ARG 19 HG2 ARG 19 3.142 3.838 -2.900 121 1HD ARG 19 HD1 ARG 19 6.011 4.539 -3.586 122 2HD ARG 19 HD2 ARG 19 5.071 5.645 -2.605 123 HE ARG 19 HE ARG 19 4.612 3.253 -1.341 124 1HH1 ARG 19 HH1 ARG 19 7.591 2.688 0.387 125 2HH1 ARG 19 HH1 ARG 19 5.901 2.321 0.300 126 1HH2 ARG 19 HH2 ARG 19 8.547 4.128 -1.163 127 2HH2 ARG 19 HH2 ARG 19 7.569 4.835 -2.406 128 H TYR 20 H TYR 20 0.965 2.992 -3.404 129 HA TYR 20 HA TYR 20 1.503 0.851 -1.499 130 1HB TYR 20 HB1 TYR 20 1.191 2.976 -0.440 131 2HB TYR 20 HB2 TYR 20 0.077 3.527 -1.675 132 HD1 TYR 20 HD1 TYR 20 0.402 2.023 1.587 133 HD2 TYR 20 HD2 TYR 20 -2.304 2.614 -1.674 134 HE1 TYR 20 HE1 TYR 20 -1.562 1.486 3.109 135 HE2 TYR 20 HE2 TYR 20 -4.258 2.075 -0.141 136 HH TYR 20 HH TYR 20 -4.622 2.273 2.448 137 H TYR 21 H TYR 21 -0.490 1.500 -4.220 138 HA TYR 21 HA TYR 21 -2.649 -0.186 -3.192 139 1HB TYR 21 HB1 TYR 21 -2.223 2.044 -5.088 140 2HB TYR 21 HB2 TYR 21 -3.025 0.717 -5.903 141 HD1 TYR 21 HD1 TYR 21 -3.756 3.700 -4.560 142 HD2 TYR 21 HD2 TYR 21 -4.870 -0.392 -3.998 143 HE1 TYR 21 HE1 TYR 21 -5.982 4.434 -3.576 144 HE2 TYR 21 HE2 TYR 21 -7.093 0.355 -3.016 145 HH TYR 21 HH TYR 21 -7.664 3.234 -1.838 146 H SER 22 H SER 22 0.068 -0.091 -5.476 147 HA SER 22 HA SER 22 -0.872 -2.373 -6.897 148 1HB SER 22 HB1 SER 22 0.607 -0.462 -7.809 149 2HB SER 22 HB2 SER 22 1.938 -1.206 -6.946 150 HG SER 22 HG SER 22 2.042 -2.804 -8.394 151 H ALA 23 H ALA 23 1.308 -1.619 -4.178 152 HA ALA 23 HA ALA 23 2.428 -4.273 -4.139 153 1HB ALA 23 HB1 ALA 23 2.836 -1.664 -2.790 154 2HB ALA 23 HB2 ALA 23 3.125 -3.091 -1.765 155 3HB ALA 23 HB3 ALA 23 4.023 -2.893 -3.289 156 H LEU 24 H LEU 24 -0.364 -2.564 -2.887 157 HA LEU 24 HA LEU 24 -0.790 -4.085 -0.576 158 1HB LEU 24 HB1 LEU 24 -2.359 -2.566 -0.339 159 2HB LEU 24 HB2 LEU 24 -2.010 -1.960 -1.946 160 HG LEU 24 HG LEU 24 -4.354 -2.357 -1.803 161 1HD1 LEU 24 HD1 LEU 24 -4.114 -4.737 -3.346 162 2HD1 LEU 24 HD1 LEU 24 -4.328 -3.061 -3.903 163 3HD1 LEU 24 HD1 LEU 24 -2.690 -3.720 -3.676 164 1HD2 LEU 24 HD2 LEU 24 -4.532 -5.199 -1.451 165 2HD2 LEU 24 HD2 LEU 24 -3.631 -4.489 -0.090 166 3HD2 LEU 24 HD2 LEU 24 -5.261 -3.892 -0.486 167 H ARG 25 H ARG 25 -0.805 -4.957 -3.893 168 HA ARG 25 HA ARG 25 -2.835 -6.931 -3.618 169 1HB ARG 25 HB1 ARG 25 -2.106 -5.656 -5.782 170 2HB ARG 25 HB2 ARG 25 -0.757 -6.773 -5.845 171 1HG ARG 25 HG1 ARG 25 -2.253 -8.008 -7.099 172 2HG ARG 25 HG2 ARG 25 -2.722 -8.594 -5.516 173 1HD ARG 25 HD1 ARG 25 -4.475 -6.738 -5.430 174 2HD ARG 25 HD2 ARG 25 -4.071 -6.349 -7.090 175 HE ARG 25 HE ARG 25 -4.593 -9.150 -6.961 176 1HH1 ARG 25 HH1 ARG 25 -7.996 -8.991 -7.715 177 2HH1 ARG 25 HH1 ARG 25 -6.598 -10.011 -7.638 178 1HH2 ARG 25 HH2 ARG 25 -7.832 -6.751 -7.131 179 2HH2 ARG 25 HH2 ARG 25 -6.312 -6.098 -6.618 180 H HIS 26 H HIS 26 0.732 -7.030 -4.385 181 HA HIS 26 HA HIS 26 1.004 -9.755 -4.018 182 1HB HIS 26 HB1 HIS 26 2.592 -7.758 -4.908 183 2HB HIS 26 HB2 HIS 26 3.306 -8.005 -3.326 184 HD1 HIS 26 HD1 HIS 26 5.427 -9.242 -3.893 185 HD2 HIS 26 HD2 HIS 26 2.050 -10.914 -5.736 186 HE1 HIS 26 HE1 HIS 26 6.214 -11.400 -5.004 187 H TYR 27 H TYR 27 0.648 -7.132 -1.711 188 HA TYR 27 HA TYR 27 1.780 -8.617 0.477 189 1HB TYR 27 HB1 TYR 27 1.928 -6.243 0.693 190 2HB TYR 27 HB2 TYR 27 0.409 -5.983 -0.140 191 HD1 TYR 27 HD1 TYR 27 0.956 -8.206 2.803 192 HD2 TYR 27 HD2 TYR 27 -0.691 -4.528 1.368 193 HE1 TYR 27 HE1 TYR 27 -0.212 -7.851 5.033 194 HE2 TYR 27 HE2 TYR 27 -1.853 -4.184 3.602 195 HH TYR 27 HH TYR 27 -2.116 -4.910 5.622 196 H ILE 28 H ILE 28 -1.485 -7.810 -0.815 197 HA ILE 28 HA ILE 28 -2.738 -9.188 1.395 198 HB ILE 28 HB ILE 28 -3.760 -7.705 -1.019 199 1HG1 ILE 28 1HG1 ILE 28 -2.877 -6.295 0.747 200 2HG1 ILE 28 2HG1 ILE 28 -4.620 -6.138 0.661 201 1HG2 ILE 28 1HG2 ILE 28 -5.987 -8.055 0.452 202 2HG2 ILE 28 2HG2 ILE 28 -5.522 -9.113 -0.902 203 3HG2 ILE 28 3HG2 ILE 28 -5.169 -9.602 0.772 204 1HD1 ILE 28 1HD1 ILE 28 -2.965 -7.621 2.728 205 2HD1 ILE 28 2HD1 ILE 28 -4.188 -6.353 2.983 206 3HD1 ILE 28 3HD1 ILE 28 -4.692 -7.991 2.501 207 H ASN 29 H ASN 29 -1.156 -10.076 -1.446 208 HA ASN 29 HA ASN 29 -2.860 -11.923 -2.550 209 1HB ASN 29 HB1 ASN 29 -0.810 -11.326 -3.707 210 2HB ASN 29 HB2 ASN 29 0.184 -11.790 -2.340 211 1HD2 ASN 29 HD2 ASN 29 1.299 -13.528 -2.745 212 2HD2 ASN 29 HD2 ASN 29 0.771 -14.950 -3.581 213 H LEU 30 H LEU 30 -1.276 -11.838 0.533 214 HA LEU 30 HA LEU 30 -1.378 -14.746 0.814 215 1HB LEU 30 HB1 LEU 30 0.624 -14.296 1.675 216 2HB LEU 30 HB2 LEU 30 0.265 -12.597 1.911 217 HG LEU 30 HG LEU 30 -0.973 -13.170 3.993 218 1HD1 LEU 30 HD1 LEU 30 -1.412 -15.253 4.675 219 2HD1 LEU 30 HD1 LEU 30 -1.038 -15.730 3.002 220 3HD1 LEU 30 HD1 LEU 30 0.217 -15.837 4.259 221 1HD2 LEU 30 HD2 LEU 30 0.926 -12.702 5.036 222 2HD2 LEU 30 HD2 LEU 30 1.525 -14.356 4.764 223 3HD2 LEU 30 HD2 LEU 30 1.817 -13.093 3.545 224 H ALA 31 H ALA 31 -3.133 -11.836 1.456 225 HA ALA 31 HA ALA 31 -4.695 -13.244 3.510 226 1HB ALA 31 HB1 ALA 31 -3.487 -11.052 4.089 227 2HB ALA 31 HB2 ALA 31 -4.644 -10.254 2.998 228 3HB ALA 31 HB3 ALA 31 -5.231 -11.119 4.438 229 1HN AIB 32 1HN AIB 32 -4.885 -13.662 0.594 230 1HB1 AIB 32 1HB1 AIB 32 -6.850 -15.238 -0.985 231 2HB1 AIB 32 2HB1 AIB 32 -5.384 -14.341 -1.462 232 3HB1 AIB 32 3HB1 AIB 32 -6.921 -14.009 -2.279 233 1HB2 AIB 32 1HB2 AIB 32 -7.452 -11.080 -0.122 234 2HB2 AIB 32 2HB2 AIB 32 -7.720 -11.826 -1.706 235 3HB2 AIB 32 3HB2 AIB 32 -6.065 -11.389 -1.202 236 H ARG 33 H ARG 33 -7.086 -14.877 1.796 237 HA ARG 33 HA ARG 33 -9.974 -14.618 1.633 238 1HB ARG 33 HB1 ARG 33 -8.145 -16.855 2.111 239 2HB ARG 33 HB2 ARG 33 -9.287 -16.721 3.434 240 1HG ARG 33 HG1 ARG 33 -10.545 -16.383 0.770 241 2HG ARG 33 HG2 ARG 33 -9.787 -17.949 0.979 242 1HD ARG 33 HD1 ARG 33 -11.955 -18.323 1.835 243 2HD ARG 33 HD2 ARG 33 -11.032 -18.014 3.292 244 HE ARG 33 HE ARG 33 -11.989 -15.505 2.352 245 1HH1 ARG 33 HH1 ARG 33 -14.994 -15.471 4.125 246 2HH1 ARG 33 HH1 ARG 33 -13.834 -14.514 3.266 247 1HH2 ARG 33 HH2 ARG 33 -14.675 -17.759 4.348 248 2HH2 ARG 33 HH2 ARG 33 -13.276 -18.510 3.655 249 H GLN 34 H GLN 34 -7.116 -14.501 3.816 250 HA GLN 34 HA GLN 34 -8.356 -14.288 6.215 251 1HB GLN 34 HB1 GLN 34 -5.763 -13.399 5.060 252 2HB GLN 34 HB2 GLN 34 -6.245 -12.536 6.507 253 1HG GLN 34 HG1 GLN 34 -6.827 -15.207 7.139 254 2HG GLN 34 HG2 GLN 34 -5.350 -15.335 6.204 255 1HE2 GLN 34 1HE2 GLN 34 -6.713 -14.681 9.196 256 2HE2 GLN 34 2HE2 GLN 34 -5.339 -14.033 10.028 257 H ARG 35 H ARG 35 -7.787 -11.734 3.736 258 HA ARG 35 HA ARG 35 -9.098 -9.829 5.447 259 1HB ARG 35 HB1 ARG 35 -7.461 -9.721 2.926 260 2HB ARG 35 HB2 ARG 35 -8.646 -8.447 3.132 261 1HG ARG 35 HG1 ARG 35 -6.586 -9.194 5.259 262 2HG ARG 35 HG2 ARG 35 -6.341 -7.921 4.079 263 1HD ARG 35 HD1 ARG 35 -8.900 -7.834 5.663 264 2HD ARG 35 HD2 ARG 35 -7.422 -7.450 6.522 265 HE ARG 35 HE ARG 35 -7.430 -6.022 4.037 266 1HH1 ARG 35 HH1 ARG 35 -8.800 -3.068 5.291 267 2HH1 ARG 35 HH1 ARG 35 -7.930 -3.793 3.981 268 1HH2 ARG 35 HH2 ARG 35 -9.456 -4.360 7.104 269 2HH2 ARG 35 HH2 ARG 35 -9.076 -6.049 7.147 270 H TYR 36 H TYR 36 -10.501 -12.225 4.191 271 HA TYR 36 HA TYR 36 -12.377 -12.726 3.115 272 1HB TYR 36 HB1 TYR 36 -13.123 -9.774 3.447 273 2HB TYR 36 HB2 TYR 36 -14.184 -11.160 3.603 274 HD1 TYR 36 HD1 TYR 36 -12.956 -12.914 5.509 275 HD2 TYR 36 HD2 TYR 36 -12.969 -8.636 5.458 276 HE1 TYR 36 HE1 TYR 36 -12.624 -12.876 8.029 277 HE2 TYR 36 HE2 TYR 36 -12.638 -8.612 7.979 278 HH TYR 36 HH TYR 36 -11.478 -10.573 9.660 279 1HN NH2 37 HN1 NH2 237 -10.582 -12.485 1.285 280 2HN NH2 37 HN2 NH2 237 -11.095 -11.573 -0.095 Start of MODEL 12 1 H TYR 1 H TYR 1 25.631 -4.845 12.117 2 HA TYR 1 HA TYR 1 23.616 -4.523 10.811 3 1HB TYR 1 HB1 TYR 1 23.922 -2.207 12.794 4 2HB TYR 1 HB2 TYR 1 22.506 -3.210 12.549 5 HD1 TYR 1 HD1 TYR 1 25.356 -2.650 14.585 6 HD2 TYR 1 HD2 TYR 1 22.771 -5.753 13.172 7 HE1 TYR 1 HE1 TYR 1 26.063 -4.133 16.526 8 HE2 TYR 1 HE2 TYR 1 23.486 -7.225 15.118 9 HH TYR 1 HH TYR 1 25.108 -7.486 16.673 10 HA PRO 2 HA PRO 2 23.527 -1.175 8.075 11 1HB PRO 2 HB1 PRO 2 20.850 -0.893 7.600 12 2HB PRO 2 HB2 PRO 2 21.834 -2.126 6.836 13 1HG PRO 2 HG1 PRO 2 19.876 -2.415 9.032 14 2HG PRO 2 HG2 PRO 2 20.541 -3.652 7.983 15 1HD PRO 2 HD1 PRO 2 21.278 -3.133 10.706 16 2HD PRO 2 HD2 PRO 2 22.022 -4.291 9.622 17 H SER 3 H SER 3 24.480 0.514 9.177 18 HA SER 3 HA SER 3 22.629 2.030 10.797 19 1HB SER 3 HB1 SER 3 25.231 1.369 11.232 20 2HB SER 3 HB2 SER 3 25.470 2.913 10.440 21 HG SER 3 HG SER 3 23.989 2.365 12.857 22 H LYS 4 H LYS 4 21.304 2.968 9.120 23 HA LYS 4 HA LYS 4 22.633 5.183 7.778 24 1HB LYS 4 HB1 LYS 4 20.722 3.527 6.164 25 2HB LYS 4 HB2 LYS 4 21.965 4.639 5.627 26 1HG LYS 4 HG1 LYS 4 23.721 3.036 6.483 27 2HG LYS 4 HG2 LYS 4 22.449 1.913 6.921 28 1HD LYS 4 HD1 LYS 4 22.329 2.918 4.111 29 2HD LYS 4 HD2 LYS 4 23.727 1.930 4.483 30 1HE LYS 4 HE1 LYS 4 22.310 0.086 5.253 31 2HE LYS 4 HE2 LYS 4 20.871 1.081 5.149 32 1HZ LYS 4 HZ1 LYS 4 21.711 -0.498 3.208 33 2HZ LYS 4 HZ2 LYS 4 20.785 0.822 2.948 34 3HZ LYS 4 HZ3 LYS 4 22.401 0.903 2.728 35 HA PRO 5 HA PRO 5 19.014 7.197 8.985 36 1HB PRO 5 HB1 PRO 5 18.898 9.284 7.224 37 2HB PRO 5 HB2 PRO 5 19.949 9.270 8.626 38 1HG PRO 5 HG1 PRO 5 20.650 8.880 5.781 39 2HG PRO 5 HG2 PRO 5 21.699 9.291 7.123 40 1HD PRO 5 HD1 PRO 5 21.440 6.724 5.870 41 2HD PRO 5 HD2 PRO 5 22.400 7.107 7.284 42 H ASP 6 H ASP 6 19.002 7.294 5.445 43 HA ASP 6 HA ASP 6 17.479 6.746 4.004 44 1HB ASP 6 HB1 ASP 6 16.561 4.922 6.266 45 2HB ASP 6 HB2 ASP 6 15.771 4.917 4.702 46 H ASN 7 H ASN 7 16.412 8.819 3.911 47 HA ASN 7 HA ASN 7 13.928 8.893 5.429 48 1HB ASN 7 HB1 ASN 7 15.979 11.105 4.979 49 2HB ASN 7 HB2 ASN 7 14.306 11.501 5.318 50 1HD2 ASN 7 HD2 ASN 7 16.534 12.153 6.925 51 2HD2 ASN 7 HD2 ASN 7 16.372 11.376 8.465 52 HA PRO 8 HA PRO 8 13.014 9.401 1.040 53 1HB PRO 8 HB1 PRO 8 10.625 8.075 1.048 54 2HB PRO 8 HB2 PRO 8 12.158 7.286 0.734 55 1HG PRO 8 HG1 PRO 8 10.494 7.196 3.175 56 2HG PRO 8 HG2 PRO 8 11.777 6.110 2.681 57 1HD PRO 8 HD1 PRO 8 11.944 8.173 4.668 58 2HD PRO 8 HD2 PRO 8 13.256 7.165 4.091 59 H GLY 9 H GLY 9 10.840 10.120 -0.143 60 1HA GLY 9 HA1 GLY 9 8.811 11.401 0.456 61 2HA GLY 9 HA2 GLY 9 9.820 12.318 1.557 62 H GLU 10 H GLU 10 10.062 11.195 -1.902 63 HA GLU 10 HA GLU 10 10.470 13.981 -2.610 64 1HB GLU 10 HB1 GLU 10 12.141 11.877 -3.983 65 2HB GLU 10 HB2 GLU 10 12.449 13.594 -3.815 66 1HG GLU 10 HG1 GLU 10 12.619 13.092 -1.239 67 2HG GLU 10 HG2 GLU 10 12.776 11.415 -1.722 68 H ASP 11 H ASP 11 8.119 13.612 -3.171 69 HA ASP 11 HA ASP 11 7.850 13.275 -5.882 70 1HB ASP 11 HB1 ASP 11 8.166 10.807 -5.039 71 2HB ASP 11 HB2 ASP 11 6.545 10.968 -4.392 72 H ALA 12 H ALA 12 5.422 13.399 -6.493 73 HA ALA 12 HA ALA 12 4.056 14.949 -4.473 74 1HB ALA 12 HB1 ALA 12 2.485 15.409 -6.344 75 2HB ALA 12 HB2 ALA 12 4.174 15.754 -6.788 76 3HB ALA 12 HB3 ALA 12 3.388 14.265 -7.365 77 HA PRO 13 HA PRO 13 1.315 11.820 -3.295 78 1HB PRO 13 HB1 PRO 13 -0.957 13.206 -2.673 79 2HB PRO 13 HB2 PRO 13 0.427 13.106 -1.604 80 1HG PRO 13 HG1 PRO 13 -0.459 15.374 -3.280 81 2HG PRO 13 HG2 PRO 13 0.637 15.382 -1.913 82 1HD PRO 13 HD1 PRO 13 1.351 15.545 -4.686 83 2HD PRO 13 HD2 PRO 13 2.450 15.436 -3.326 84 H ALA 14 H ALA 14 -0.850 10.711 -3.612 85 HA ALA 14 HA ALA 14 -2.516 10.075 -4.972 86 1HB ALA 14 HB1 ALA 14 -1.768 11.781 -7.292 87 2HB ALA 14 HB2 ALA 14 -3.359 11.493 -6.549 88 3HB ALA 14 HB3 ALA 14 -2.227 12.649 -5.808 89 H GLU 15 H GLU 15 0.560 10.904 -6.709 90 HA GLU 15 HA GLU 15 0.320 8.518 -8.260 91 1HB GLU 15 HB1 GLU 15 1.524 10.966 -8.676 92 2HB GLU 15 HB2 GLU 15 2.911 9.977 -8.265 93 1HG GLU 15 HG1 GLU 15 2.287 8.327 -10.015 94 2HG GLU 15 HG2 GLU 15 0.846 9.248 -10.396 95 H ASP 16 H ASP 16 1.321 9.243 -5.110 96 HA ASP 16 HA ASP 16 3.459 7.309 -5.124 97 1HB ASP 16 HB1 ASP 16 4.027 8.136 -2.986 98 2HB ASP 16 HB2 ASP 16 3.430 9.561 -3.813 99 H LEU 17 H LEU 17 0.052 7.776 -4.247 100 HA LEU 17 HA LEU 17 -0.181 5.696 -2.378 101 1HB LEU 17 HB1 LEU 17 -1.746 7.716 -3.165 102 2HB LEU 17 HB2 LEU 17 -2.474 6.438 -4.118 103 HG LEU 17 HG LEU 17 -2.115 5.498 -1.422 104 1HD1 LEU 17 HD1 LEU 17 -4.020 7.274 -0.671 105 2HD1 LEU 17 HD1 LEU 17 -2.289 7.435 -0.290 106 3HD1 LEU 17 HD1 LEU 17 -2.980 8.312 -1.676 107 1HD2 LEU 17 HD2 LEU 17 -4.801 5.729 -1.770 108 2HD2 LEU 17 HD2 LEU 17 -4.237 5.748 -3.458 109 3HD2 LEU 17 HD2 LEU 17 -3.810 4.388 -2.391 110 H ALA 18 H ALA 18 0.253 5.751 -5.839 111 HA ALA 18 HA ALA 18 -1.059 3.375 -6.503 112 1HB ALA 18 HB1 ALA 18 1.243 4.959 -7.672 113 2HB ALA 18 HB2 ALA 18 0.691 3.438 -8.414 114 3HB ALA 18 HB3 ALA 18 -0.428 4.814 -8.267 115 H ARG 19 H ARG 19 2.356 4.060 -5.495 116 HA ARG 19 HA ARG 19 3.247 1.483 -5.738 117 1HB ARG 19 HB1 ARG 19 4.091 3.654 -3.752 118 2HB ARG 19 HB2 ARG 19 5.018 2.200 -4.062 119 1HG ARG 19 HG1 ARG 19 4.224 3.805 -6.470 120 2HG ARG 19 HG2 ARG 19 5.414 4.535 -5.411 121 1HD ARG 19 HD1 ARG 19 6.994 2.805 -5.764 122 2HD ARG 19 HD2 ARG 19 5.772 1.643 -6.241 123 HE ARG 19 HE ARG 19 5.590 3.614 -8.192 124 1HH1 ARG 19 HH1 ARG 19 8.245 2.738 -10.281 125 2HH1 ARG 19 HH1 ARG 19 6.745 3.596 -10.164 126 1HH2 ARG 19 HH2 ARG 19 9.081 1.605 -8.436 127 2HH2 ARG 19 HH2 ARG 19 8.205 1.619 -6.941 128 H TYR 20 H TYR 20 1.065 2.928 -3.423 129 HA TYR 20 HA TYR 20 1.519 0.814 -1.466 130 1HB TYR 20 HB1 TYR 20 1.195 2.958 -0.450 131 2HB TYR 20 HB2 TYR 20 0.129 3.502 -1.730 132 HD1 TYR 20 HD1 TYR 20 -2.253 3.195 -1.591 133 HD2 TYR 20 HD2 TYR 20 0.320 1.466 1.358 134 HE1 TYR 20 HE1 TYR 20 -4.264 2.698 -0.117 135 HE2 TYR 20 HE2 TYR 20 -1.700 0.975 2.822 136 HH TYR 20 HH TYR 20 -3.848 1.045 3.003 137 H TYR 21 H TYR 21 -0.374 1.440 -4.262 138 HA TYR 21 HA TYR 21 -2.584 -0.209 -3.281 139 1HB TYR 21 HB1 TYR 21 -2.074 1.992 -5.192 140 2HB TYR 21 HB2 TYR 21 -2.862 0.661 -6.015 141 HD1 TYR 21 HD1 TYR 21 -3.651 3.663 -4.842 142 HD2 TYR 21 HD2 TYR 21 -4.735 -0.399 -4.050 143 HE1 TYR 21 HE1 TYR 21 -5.901 4.431 -3.941 144 HE2 TYR 21 HE2 TYR 21 -6.981 0.383 -3.152 145 HH TYR 21 HH TYR 21 -7.666 3.804 -2.741 146 H SER 22 H SER 22 0.206 -0.170 -5.478 147 HA SER 22 HA SER 22 -0.711 -2.463 -6.898 148 1HB SER 22 HB1 SER 22 0.976 -0.471 -7.571 149 2HB SER 22 HB2 SER 22 2.169 -1.595 -6.953 150 HG SER 22 HG SER 22 0.241 -2.107 -9.054 151 H ALA 23 H ALA 23 1.381 -1.694 -4.116 152 HA ALA 23 HA ALA 23 2.474 -4.358 -4.006 153 1HB ALA 23 HB1 ALA 23 3.838 -2.437 -3.356 154 2HB ALA 23 HB2 ALA 23 2.633 -1.961 -2.135 155 3HB ALA 23 HB3 ALA 23 3.552 -3.473 -1.938 156 H LEU 24 H LEU 24 -0.340 -2.605 -2.870 157 HA LEU 24 HA LEU 24 -0.857 -4.096 -0.556 158 1HB LEU 24 HB1 LEU 24 -2.406 -2.550 -0.381 159 2HB LEU 24 HB2 LEU 24 -2.006 -1.968 -1.985 160 HG LEU 24 HG LEU 24 -4.358 -2.333 -1.901 161 1HD1 LEU 24 HD1 LEU 24 -2.664 -3.738 -3.713 162 2HD1 LEU 24 HD1 LEU 24 -4.106 -4.736 -3.408 163 3HD1 LEU 24 HD1 LEU 24 -4.288 -3.064 -3.991 164 1HD2 LEU 24 HD2 LEU 24 -5.291 -3.816 -0.546 165 2HD2 LEU 24 HD2 LEU 24 -4.637 -5.146 -1.533 166 3HD2 LEU 24 HD2 LEU 24 -3.688 -4.495 -0.174 167 H ARG 25 H ARG 25 -0.775 -5.001 -3.862 168 HA ARG 25 HA ARG 25 -2.832 -6.961 -3.607 169 1HB ARG 25 HB1 ARG 25 -1.959 -5.646 -5.761 170 2HB ARG 25 HB2 ARG 25 -0.778 -6.938 -5.840 171 1HG ARG 25 HG1 ARG 25 -2.330 -8.238 -6.859 172 2HG ARG 25 HG2 ARG 25 -3.254 -8.244 -5.370 173 1HD ARG 25 HD1 ARG 25 -4.833 -7.355 -6.855 174 2HD ARG 25 HD2 ARG 25 -4.131 -5.883 -6.214 175 HE ARG 25 HE ARG 25 -2.634 -6.773 -8.520 176 1HH1 ARG 25 HH1 ARG 25 -4.214 -4.623 -10.769 177 2HH1 ARG 25 HH1 ARG 25 -2.849 -5.656 -10.501 178 1HH2 ARG 25 HH2 ARG 25 -5.823 -4.375 -9.116 179 2HH2 ARG 25 HH2 ARG 25 -5.660 -5.222 -7.614 180 H HIS 26 H HIS 26 0.756 -7.005 -4.266 181 HA HIS 26 HA HIS 26 1.039 -9.745 -3.952 182 1HB HIS 26 HB1 HIS 26 2.636 -7.664 -4.724 183 2HB HIS 26 HB2 HIS 26 3.339 -8.062 -3.168 184 HD1 HIS 26 HD1 HIS 26 5.478 -8.879 -4.541 185 HD2 HIS 26 HD2 HIS 26 1.989 -11.135 -5.117 186 HE1 HIS 26 HE1 HIS 26 6.212 -11.060 -5.643 187 H TYR 27 H TYR 27 0.568 -7.170 -1.624 188 HA TYR 27 HA TYR 27 1.678 -8.670 0.572 189 1HB TYR 27 HB1 TYR 27 1.809 -6.307 0.847 190 2HB TYR 27 HB2 TYR 27 0.332 -6.030 -0.054 191 HD1 TYR 27 HD1 TYR 27 0.887 -8.188 2.956 192 HD2 TYR 27 HD2 TYR 27 -0.988 -4.697 1.344 193 HE1 TYR 27 HE1 TYR 27 -0.386 -7.858 5.132 194 HE2 TYR 27 HE2 TYR 27 -2.254 -4.379 3.526 195 HH TYR 27 HH TYR 27 -2.032 -6.780 6.105 196 H ILE 28 H ILE 28 -1.570 -7.820 -0.751 197 HA ILE 28 HA ILE 28 -2.868 -9.232 1.400 198 HB ILE 28 HB ILE 28 -3.840 -7.767 -1.046 199 1HG1 ILE 28 1HG1 ILE 28 -2.999 -6.329 0.711 200 2HG1 ILE 28 2HG1 ILE 28 -4.743 -6.191 0.610 201 1HG2 ILE 28 1HG2 ILE 28 -5.582 -9.213 -0.938 202 2HG2 ILE 28 2HG2 ILE 28 -5.288 -9.624 0.769 203 3HG2 ILE 28 3HG2 ILE 28 -6.101 -8.097 0.349 204 1HD1 ILE 28 1HD1 ILE 28 -4.386 -8.287 2.432 205 2HD1 ILE 28 2HD1 ILE 28 -3.075 -7.152 2.833 206 3HD1 ILE 28 3HD1 ILE 28 -4.767 -6.598 2.845 207 H ASN 29 H ASN 29 -1.212 -10.104 -1.409 208 HA ASN 29 HA ASN 29 -2.874 -11.964 -2.551 209 1HB ASN 29 HB1 ASN 29 -0.691 -11.217 -3.520 210 2HB ASN 29 HB2 ASN 29 0.174 -12.028 -2.229 211 1HD2 ASN 29 HD2 ASN 29 1.158 -12.964 -4.239 212 2HD2 ASN 29 HD2 ASN 29 0.487 -14.435 -4.862 213 H LEU 30 H LEU 30 -1.351 -11.872 0.566 214 HA LEU 30 HA LEU 30 -1.452 -14.781 0.844 215 1HB LEU 30 HB1 LEU 30 0.516 -14.367 1.778 216 2HB LEU 30 HB2 LEU 30 0.200 -12.650 1.924 217 HG LEU 30 HG LEU 30 -1.246 -13.268 3.969 218 1HD1 LEU 30 HD1 LEU 30 -1.190 -15.747 3.338 219 2HD1 LEU 30 HD1 LEU 30 0.457 -15.758 4.013 220 3HD1 LEU 30 HD1 LEU 30 -0.926 -15.325 5.047 221 1HD2 LEU 30 HD2 LEU 30 0.533 -12.163 4.755 222 2HD2 LEU 30 HD2 LEU 30 1.148 -13.772 5.205 223 3HD2 LEU 30 HD2 LEU 30 1.665 -13.016 3.678 224 H ALA 31 H ALA 31 -3.215 -11.868 1.466 225 HA ALA 31 HA ALA 31 -4.663 -13.085 3.684 226 1HB ALA 31 HB1 ALA 31 -5.204 -10.950 4.284 227 2HB ALA 31 HB2 ALA 31 -3.798 -10.538 3.273 228 3HB ALA 31 HB3 ALA 31 -5.442 -10.425 2.600 229 1HN AIB 32 1HN AIB 32 -5.025 -14.617 1.464 230 1HB1 AIB 32 1HB1 AIB 32 -6.681 -15.902 -1.227 231 2HB1 AIB 32 2HB1 AIB 32 -7.095 -16.742 0.291 232 3HB1 AIB 32 3HB1 AIB 32 -5.447 -16.139 0.043 233 1HB2 AIB 32 1HB2 AIB 32 -6.378 -12.841 -0.829 234 2HB2 AIB 32 2HB2 AIB 32 -8.084 -12.857 -0.355 235 3HB2 AIB 32 3HB2 AIB 32 -7.493 -14.020 -1.572 236 H ARG 33 H ARG 33 -7.093 -15.470 2.942 237 HA ARG 33 HA ARG 33 -9.640 -16.298 3.018 238 1HB ARG 33 HB1 ARG 33 -8.665 -16.827 5.029 239 2HB ARG 33 HB2 ARG 33 -7.621 -15.420 4.995 240 1HG ARG 33 HG1 ARG 33 -9.204 -15.300 6.900 241 2HG ARG 33 HG2 ARG 33 -9.473 -13.978 5.781 242 1HD ARG 33 HD1 ARG 33 -11.646 -14.618 5.626 243 2HD ARG 33 HD2 ARG 33 -11.119 -16.083 4.821 244 HE ARG 33 HE ARG 33 -11.726 -17.234 6.747 245 1HH1 ARG 33 HH1 ARG 33 -11.855 -16.280 10.102 246 2HH1 ARG 33 HH1 ARG 33 -12.134 -17.563 8.972 247 1HH2 ARG 33 HH2 ARG 33 -11.067 -14.228 9.356 248 2HH2 ARG 33 HH2 ARG 33 -10.757 -13.980 7.670 249 H GLN 34 H GLN 34 -8.375 -12.960 3.556 250 HA GLN 34 HA GLN 34 -10.461 -11.684 4.572 251 1HB GLN 34 HB1 GLN 34 -8.204 -10.764 3.709 252 2HB GLN 34 HB2 GLN 34 -8.988 -10.572 2.154 253 1HG GLN 34 HG1 GLN 34 -10.797 -9.456 4.044 254 2HG GLN 34 HG2 GLN 34 -9.211 -8.906 4.547 255 1HE2 GLN 34 1HE2 GLN 34 -9.003 -6.908 3.868 256 2HE2 GLN 34 2HE2 GLN 34 -9.274 -6.319 2.262 257 H ARG 35 H ARG 35 -10.171 -12.904 1.213 258 HA ARG 35 HA ARG 35 -12.950 -12.108 0.857 259 1HB ARG 35 HB1 ARG 35 -10.574 -11.806 -0.901 260 2HB ARG 35 HB2 ARG 35 -11.950 -12.514 -1.723 261 1HG ARG 35 HG1 ARG 35 -13.359 -10.627 -1.236 262 2HG ARG 35 HG2 ARG 35 -12.260 -10.015 -0.015 263 1HD ARG 35 HD1 ARG 35 -11.501 -8.644 -1.688 264 2HD ARG 35 HD2 ARG 35 -10.593 -10.049 -2.210 265 HE ARG 35 HE ARG 35 -13.125 -10.350 -3.379 266 1HH1 ARG 35 HH1 ARG 35 -12.683 -8.405 -6.243 267 2HH1 ARG 35 HH1 ARG 35 -13.617 -9.661 -5.502 268 1HH2 ARG 35 HH2 ARG 35 -10.931 -7.422 -5.080 269 2HH2 ARG 35 HH2 ARG 35 -10.558 -7.944 -3.472 270 H TYR 36 H TYR 36 -11.867 -14.596 2.068 271 HA TYR 36 HA TYR 36 -12.067 -16.803 1.950 272 1HB TYR 36 HB1 TYR 36 -14.401 -16.747 1.697 273 2HB TYR 36 HB2 TYR 36 -14.309 -15.523 0.446 274 HD1 TYR 36 HD1 TYR 36 -13.157 -19.095 0.713 275 HD2 TYR 36 HD2 TYR 36 -15.376 -16.181 -1.498 276 HE1 TYR 36 HE1 TYR 36 -13.714 -20.844 -1.047 277 HE2 TYR 36 HE2 TYR 36 -15.926 -17.939 -3.250 278 HH TYR 36 HH TYR 36 -15.624 -21.157 -2.729 279 1HN NH2 37 HN1 NH2 237 -10.315 -17.737 1.142 280 2HN NH2 37 HN2 NH2 237 -9.988 -18.022 -0.535 Start of MODEL 13 1 H TYR 1 H TYR 1 -14.758 -1.463 -11.542 2 HA TYR 1 HA TYR 1 -13.261 0.078 -10.994 3 1HB TYR 1 HB1 TYR 1 -11.833 -1.405 -9.866 4 2HB TYR 1 HB2 TYR 1 -11.884 -2.567 -11.176 5 HD1 TYR 1 HD1 TYR 1 -10.312 0.668 -10.166 6 HD2 TYR 1 HD2 TYR 1 -10.038 -2.830 -12.614 7 HE1 TYR 1 HE1 TYR 1 -7.949 1.318 -10.844 8 HE2 TYR 1 HE2 TYR 1 -7.677 -2.168 -13.283 9 HH TYR 1 HH TYR 1 -5.922 -0.869 -12.634 10 HA PRO 2 HA PRO 2 -12.170 1.408 -15.071 11 1HB PRO 2 HB1 PRO 2 -12.644 4.068 -14.662 12 2HB PRO 2 HB2 PRO 2 -13.875 2.948 -15.211 13 1HG PRO 2 HG1 PRO 2 -13.522 4.147 -12.532 14 2HG PRO 2 HG2 PRO 2 -14.945 3.385 -13.215 15 1HD PRO 2 HD1 PRO 2 -13.136 2.242 -11.305 16 2HD PRO 2 HD2 PRO 2 -14.491 1.441 -12.075 17 H SER 3 H SER 3 -10.393 2.417 -16.085 18 HA SER 3 HA SER 3 -8.307 2.812 -14.116 19 1HB SER 3 HB1 SER 3 -8.205 2.392 -17.135 20 2HB SER 3 HB2 SER 3 -6.786 2.665 -16.144 21 HG SER 3 HG SER 3 -7.104 0.706 -15.075 22 H LYS 4 H LYS 4 -6.691 4.633 -14.558 23 HA LYS 4 HA LYS 4 -7.526 6.774 -16.231 24 1HB LYS 4 HB1 LYS 4 -9.001 7.696 -14.815 25 2HB LYS 4 HB2 LYS 4 -8.469 6.723 -13.458 26 1HG LYS 4 HG1 LYS 4 -6.751 8.243 -12.862 27 2HG LYS 4 HG2 LYS 4 -6.685 8.955 -14.462 28 1HD LYS 4 HD1 LYS 4 -9.340 9.418 -13.610 29 2HD LYS 4 HD2 LYS 4 -8.376 9.685 -12.171 30 1HE LYS 4 HE1 LYS 4 -7.409 11.588 -13.014 31 2HE LYS 4 HE2 LYS 4 -7.185 10.889 -14.605 32 1HZ LYS 4 HZ1 LYS 4 -9.569 11.219 -14.972 33 2HZ LYS 4 HZ2 LYS 4 -9.692 11.978 -13.531 34 3HZ LYS 4 HZ3 LYS 4 -8.777 12.624 -14.719 35 HA PRO 5 HA PRO 5 -3.152 6.659 -15.469 36 1HB PRO 5 HB1 PRO 5 -2.383 7.294 -18.014 37 2HB PRO 5 HB2 PRO 5 -2.610 5.646 -17.464 38 1HG PRO 5 HG1 PRO 5 -4.358 7.277 -19.203 39 2HG PRO 5 HG2 PRO 5 -4.337 5.538 -18.990 40 1HD PRO 5 HD1 PRO 5 -6.233 7.381 -17.877 41 2HD PRO 5 HD2 PRO 5 -6.142 5.658 -17.571 42 H ASP 6 H ASP 6 -5.292 9.075 -16.458 43 HA ASP 6 HA ASP 6 -5.288 11.223 -16.165 44 1HB ASP 6 HB1 ASP 6 -3.238 10.322 -14.247 45 2HB ASP 6 HB2 ASP 6 -2.933 11.957 -14.799 46 H ASN 7 H ASN 7 -4.519 13.047 -17.394 47 HA ASN 7 HA ASN 7 -2.720 12.439 -19.429 48 1HB ASN 7 HB1 ASN 7 -4.566 14.532 -18.775 49 2HB ASN 7 HB2 ASN 7 -3.020 15.321 -19.021 50 1HD2 ASN 7 HD2 ASN 7 -5.258 15.641 -20.666 51 2HD2 ASN 7 HD2 ASN 7 -4.912 15.028 -22.249 52 HA PRO 8 HA PRO 8 0.138 15.293 -16.871 53 1HB PRO 8 HB1 PRO 8 -0.603 16.049 -14.351 54 2HB PRO 8 HB2 PRO 8 -0.873 17.044 -15.768 55 1HG PRO 8 HG1 PRO 8 -2.824 15.444 -14.228 56 2HG PRO 8 HG2 PRO 8 -3.123 16.752 -15.356 57 1HD PRO 8 HD1 PRO 8 -3.463 13.947 -15.852 58 2HD PRO 8 HD2 PRO 8 -3.650 15.247 -17.012 59 H GLY 9 H GLY 9 1.440 15.216 -14.563 60 1HA GLY 9 HA1 GLY 9 1.417 13.183 -12.875 61 2HA GLY 9 HA2 GLY 9 1.933 12.348 -14.327 62 H GLU 10 H GLU 10 2.660 15.439 -12.542 63 HA GLU 10 HA GLU 10 5.439 15.030 -13.296 64 1HB GLU 10 HB1 GLU 10 4.449 17.574 -12.016 65 2HB GLU 10 HB2 GLU 10 5.747 17.350 -13.173 66 1HG GLU 10 HG1 GLU 10 4.067 16.812 -14.951 67 2HG GLU 10 HG2 GLU 10 2.770 17.041 -13.794 68 H ASP 11 H ASP 11 3.455 16.214 -10.480 69 HA ASP 11 HA ASP 11 5.030 14.555 -8.763 70 1HB ASP 11 HB1 ASP 11 6.100 16.978 -9.087 71 2HB ASP 11 HB2 ASP 11 4.821 17.477 -7.998 72 H ALA 12 H ALA 12 3.524 13.689 -7.324 73 HA ALA 12 HA ALA 12 1.678 15.246 -5.918 74 1HB ALA 12 HB1 ALA 12 -0.378 14.811 -6.985 75 2HB ALA 12 HB2 ALA 12 0.711 15.228 -8.330 76 3HB ALA 12 HB3 ALA 12 0.314 13.525 -8.001 77 HA PRO 13 HA PRO 13 1.729 11.536 -3.698 78 1HB PRO 13 HB1 PRO 13 -0.492 11.765 -2.122 79 2HB PRO 13 HB2 PRO 13 1.020 12.578 -1.771 80 1HG PRO 13 HG1 PRO 13 -1.485 13.712 -2.856 81 2HG PRO 13 HG2 PRO 13 -0.136 14.545 -2.110 82 1HD PRO 13 HD1 PRO 13 -0.734 14.412 -4.912 83 2HD PRO 13 HD2 PRO 13 0.677 15.146 -4.174 84 H ALA 14 H ALA 14 -0.746 12.179 -5.878 85 HA ALA 14 HA ALA 14 -2.255 9.834 -5.497 86 1HB ALA 14 HB1 ALA 14 -1.847 11.544 -7.985 87 2HB ALA 14 HB2 ALA 14 -3.181 10.400 -7.701 88 3HB ALA 14 HB3 ALA 14 -3.034 11.863 -6.697 89 H GLU 15 H GLU 15 0.782 10.600 -7.189 90 HA GLU 15 HA GLU 15 0.749 8.131 -8.612 91 1HB GLU 15 HB1 GLU 15 1.822 10.236 -9.483 92 2HB GLU 15 HB2 GLU 15 3.026 10.122 -8.214 93 1HG GLU 15 HG1 GLU 15 4.100 8.305 -9.190 94 2HG GLU 15 HG2 GLU 15 2.625 7.662 -9.885 95 H ASP 16 H ASP 16 1.593 9.200 -5.431 96 HA ASP 16 HA ASP 16 3.615 7.219 -5.057 97 1HB ASP 16 HB1 ASP 16 2.374 9.433 -3.489 98 2HB ASP 16 HB2 ASP 16 2.887 8.064 -2.524 99 H LEU 17 H LEU 17 0.234 7.935 -3.915 100 HA LEU 17 HA LEU 17 -0.155 5.788 -2.274 101 1HB LEU 17 HB1 LEU 17 -1.652 7.861 -3.262 102 2HB LEU 17 HB2 LEU 17 -2.452 6.472 -3.970 103 HG LEU 17 HG LEU 17 -2.044 5.787 -1.270 104 1HD1 LEU 17 HD1 LEU 17 -1.834 8.523 -1.352 105 2HD1 LEU 17 HD1 LEU 17 -3.565 8.282 -1.017 106 3HD1 LEU 17 HD1 LEU 17 -2.343 7.561 0.057 107 1HD2 LEU 17 HD2 LEU 17 -4.662 6.419 -1.341 108 2HD2 LEU 17 HD2 LEU 17 -4.313 6.368 -3.086 109 3HD2 LEU 17 HD2 LEU 17 -3.980 4.945 -2.070 110 H ALA 18 H ALA 18 0.252 5.865 -5.758 111 HA ALA 18 HA ALA 18 -1.089 3.507 -6.415 112 1HB ALA 18 HB1 ALA 18 -0.394 5.072 -8.112 113 2HB ALA 18 HB2 ALA 18 1.311 4.934 -7.621 114 3HB ALA 18 HB3 ALA 18 0.493 3.554 -8.391 115 H ARG 19 H ARG 19 2.341 4.140 -5.426 116 HA ARG 19 HA ARG 19 3.199 1.555 -5.697 117 1HB ARG 19 HB1 ARG 19 4.079 3.696 -3.695 118 2HB ARG 19 HB2 ARG 19 4.988 2.234 -4.024 119 1HG ARG 19 HG1 ARG 19 4.207 3.830 -6.432 120 2HG ARG 19 HG2 ARG 19 5.362 4.600 -5.363 121 1HD ARG 19 HD1 ARG 19 6.980 2.881 -5.654 122 2HD ARG 19 HD2 ARG 19 5.790 1.712 -6.189 123 HE ARG 19 HE ARG 19 5.634 3.675 -8.130 124 1HH1 ARG 19 HH1 ARG 19 8.425 2.963 -10.099 125 2HH1 ARG 19 HH1 ARG 19 6.876 3.737 -10.046 126 1HH2 ARG 19 HH2 ARG 19 9.237 1.863 -8.224 127 2HH2 ARG 19 HH2 ARG 19 8.295 1.817 -6.771 128 H TYR 20 H TYR 20 1.050 3.006 -3.355 129 HA TYR 20 HA TYR 20 1.487 0.869 -1.420 130 1HB TYR 20 HB1 TYR 20 1.196 3.007 -0.384 131 2HB TYR 20 HB2 TYR 20 0.129 3.576 -1.652 132 HD1 TYR 20 HD1 TYR 20 0.199 1.028 1.103 133 HD2 TYR 20 HD2 TYR 20 -2.141 3.780 -1.189 134 HE1 TYR 20 HE1 TYR 20 -1.818 0.551 2.576 135 HE2 TYR 20 HE2 TYR 20 -4.150 3.294 0.291 136 HH TYR 20 HH TYR 20 -4.497 2.501 2.648 137 H TYR 21 H TYR 21 -0.409 1.539 -4.202 138 HA TYR 21 HA TYR 21 -2.637 -0.086 -3.223 139 1HB TYR 21 HB1 TYR 21 -2.105 2.119 -5.122 140 2HB TYR 21 HB2 TYR 21 -2.915 0.804 -5.950 141 HD1 TYR 21 HD1 TYR 21 -3.277 2.337 -2.534 142 HD2 TYR 21 HD2 TYR 21 -5.175 1.231 -6.206 143 HE1 TYR 21 HE1 TYR 21 -5.514 3.135 -1.627 144 HE2 TYR 21 HE2 TYR 21 -7.405 2.033 -5.286 145 HH TYR 21 HH TYR 21 -8.483 2.558 -3.390 146 H SER 22 H SER 22 0.142 -0.070 -5.433 147 HA SER 22 HA SER 22 -0.811 -2.344 -6.860 148 1HB SER 22 HB1 SER 22 1.086 -0.337 -7.325 149 2HB SER 22 HB2 SER 22 2.073 -1.762 -7.066 150 HG SER 22 HG SER 22 0.999 -2.841 -8.762 151 H ALA 23 H ALA 23 1.308 -1.613 -4.088 152 HA ALA 23 HA ALA 23 2.371 -4.291 -3.999 153 1HB ALA 23 HB1 ALA 23 3.938 -2.783 -3.221 154 2HB ALA 23 HB2 ALA 23 2.712 -1.711 -2.503 155 3HB ALA 23 HB3 ALA 23 3.161 -3.225 -1.682 156 H LEU 24 H LEU 24 -0.420 -2.517 -2.848 157 HA LEU 24 HA LEU 24 -0.937 -4.000 -0.529 158 1HB LEU 24 HB1 LEU 24 -2.487 -2.454 -0.349 159 2HB LEU 24 HB2 LEU 24 -2.072 -1.863 -1.946 160 HG LEU 24 HG LEU 24 -4.425 -2.208 -1.887 161 1HD1 LEU 24 HD1 LEU 24 -4.186 -4.609 -3.398 162 2HD1 LEU 24 HD1 LEU 24 -4.342 -2.934 -3.978 163 3HD1 LEU 24 HD1 LEU 24 -2.729 -3.628 -3.687 164 1HD2 LEU 24 HD2 LEU 24 -3.813 -4.339 -0.129 165 2HD2 LEU 24 HD2 LEU 24 -5.413 -3.708 -0.588 166 3HD2 LEU 24 HD2 LEU 24 -4.683 -5.041 -1.514 167 H ARG 25 H ARG 25 -0.877 -4.912 -3.833 168 HA ARG 25 HA ARG 25 -2.938 -6.867 -3.552 169 1HB ARG 25 HB1 ARG 25 -2.150 -5.558 -5.719 170 2HB ARG 25 HB2 ARG 25 -0.911 -6.794 -5.816 171 1HG ARG 25 HG1 ARG 25 -2.391 -8.264 -6.701 172 2HG ARG 25 HG2 ARG 25 -3.429 -8.109 -5.297 173 1HD ARG 25 HD1 ARG 25 -4.507 -6.096 -6.285 174 2HD ARG 25 HD2 ARG 25 -3.432 -6.176 -7.667 175 HE ARG 25 HE ARG 25 -4.754 -7.885 -8.560 176 1HH1 ARG 25 HH1 ARG 25 -7.343 -9.750 -7.148 177 2HH1 ARG 25 HH1 ARG 25 -6.484 -9.378 -8.605 178 1HH2 ARG 25 HH2 ARG 25 -6.738 -8.734 -5.151 179 2HH2 ARG 25 HH2 ARG 25 -5.426 -7.603 -5.118 180 H HIS 26 H HIS 26 0.641 -6.900 -4.255 181 HA HIS 26 HA HIS 26 0.932 -9.643 -3.960 182 1HB HIS 26 HB1 HIS 26 2.523 -7.512 -4.695 183 2HB HIS 26 HB2 HIS 26 3.261 -8.020 -3.189 184 HD1 HIS 26 HD1 HIS 26 2.998 -8.908 -6.758 185 HD2 HIS 26 HD2 HIS 26 4.135 -10.820 -3.201 186 HE1 HIS 26 HE1 HIS 26 4.286 -10.999 -7.450 187 H TYR 27 H TYR 27 0.454 -7.093 -1.618 188 HA TYR 27 HA TYR 27 1.616 -8.581 0.560 189 1HB TYR 27 HB1 TYR 27 1.706 -6.222 0.858 190 2HB TYR 27 HB2 TYR 27 0.228 -5.961 -0.046 191 HD1 TYR 27 HD1 TYR 27 -1.249 -4.766 1.292 192 HD2 TYR 27 HD2 TYR 27 0.938 -8.013 3.019 193 HE1 TYR 27 HE1 TYR 27 -2.525 -4.476 3.472 194 HE2 TYR 27 HE2 TYR 27 -0.345 -7.711 5.193 195 HH TYR 27 HH TYR 27 -2.966 -5.344 5.425 196 H ILE 28 H ILE 28 -1.675 -7.730 -0.673 197 HA ILE 28 HA ILE 28 -2.938 -9.146 1.474 198 HB ILE 28 HB ILE 28 -3.951 -7.841 -1.048 199 1HG1 ILE 28 1HG1 ILE 28 -3.033 -6.366 0.743 200 2HG1 ILE 28 2HG1 ILE 28 -4.724 -6.090 0.378 201 1HG2 ILE 28 1HG2 ILE 28 -5.565 -9.110 1.183 202 2HG2 ILE 28 2HG2 ILE 28 -6.212 -8.166 -0.181 203 3HG2 ILE 28 3HG2 ILE 28 -5.406 -9.725 -0.480 204 1HD1 ILE 28 1HD1 ILE 28 -4.357 -6.119 2.822 205 2HD1 ILE 28 2HD1 ILE 28 -5.384 -7.489 2.336 206 3HD1 ILE 28 3HD1 ILE 28 -3.664 -7.755 2.709 207 H ASN 29 H ASN 29 -1.399 -9.983 -1.489 208 HA ASN 29 HA ASN 29 -2.991 -11.995 -2.419 209 1HB ASN 29 HB1 ASN 29 -0.665 -10.977 -3.254 210 2HB ASN 29 HB2 ASN 29 0.031 -12.307 -2.349 211 1HD2 ASN 29 HD2 ASN 29 -0.622 -11.453 -5.311 212 2HD2 ASN 29 HD2 ASN 29 -1.119 -12.936 -6.056 213 H LEU 30 H LEU 30 -1.193 -11.712 0.551 214 HA LEU 30 HA LEU 30 -0.983 -14.588 0.916 215 1HB LEU 30 HB1 LEU 30 -0.071 -12.241 2.583 216 2HB LEU 30 HB2 LEU 30 0.136 -13.919 3.044 217 HG LEU 30 HG LEU 30 1.618 -12.287 1.074 218 1HD1 LEU 30 HD1 LEU 30 2.700 -12.937 3.106 219 2HD1 LEU 30 HD1 LEU 30 2.285 -14.649 2.846 220 3HD1 LEU 30 HD1 LEU 30 3.449 -13.841 1.769 221 1HD2 LEU 30 HD2 LEU 30 0.550 -13.790 -0.488 222 2HD2 LEU 30 HD2 LEU 30 2.261 -14.241 -0.299 223 3HD2 LEU 30 HD2 LEU 30 0.994 -15.197 0.507 224 H ALA 31 H ALA 31 -3.474 -12.498 0.951 225 HA ALA 31 HA ALA 31 -4.556 -13.313 3.529 226 1HB ALA 31 HB1 ALA 31 -5.730 -11.502 1.383 227 2HB ALA 31 HB2 ALA 31 -6.273 -11.662 3.071 228 3HB ALA 31 HB3 ALA 31 -4.688 -10.937 2.711 229 1HN AIB 32 1HN AIB 32 -4.094 -15.476 1.796 230 1HB1 AIB 32 1HB1 AIB 32 -3.834 -17.060 0.354 231 2HB1 AIB 32 2HB1 AIB 32 -5.144 -17.845 -0.568 232 3HB1 AIB 32 3HB1 AIB 32 -4.750 -18.421 1.062 233 1HB2 AIB 32 1HB2 AIB 32 -6.628 -14.910 -0.286 234 2HB2 AIB 32 2HB2 AIB 32 -7.865 -16.019 0.328 235 3HB2 AIB 32 3HB2 AIB 32 -6.738 -16.566 -0.943 236 H ARG 33 H ARG 33 -5.476 -16.282 3.653 237 HA ARG 33 HA ARG 33 -7.733 -18.071 4.087 238 1HB ARG 33 HB1 ARG 33 -4.966 -18.223 5.035 239 2HB ARG 33 HB2 ARG 33 -6.063 -18.138 6.399 240 1HG ARG 33 HG1 ARG 33 -6.468 -20.077 4.078 241 2HG ARG 33 HG2 ARG 33 -5.551 -20.495 5.512 242 1HD ARG 33 HD1 ARG 33 -7.571 -21.193 6.342 243 2HD ARG 33 HD2 ARG 33 -7.845 -19.493 6.667 244 HE ARG 33 HE ARG 33 -9.340 -19.382 4.841 245 1HH1 ARG 33 HH1 ARG 33 -10.416 -21.948 2.735 246 2HH1 ARG 33 HH1 ARG 33 -10.696 -20.321 3.259 247 1HH2 ARG 33 HH2 ARG 33 -8.665 -23.174 3.640 248 2HH2 ARG 33 HH2 ARG 33 -7.638 -22.462 4.839 249 H GLN 34 H GLN 34 -5.754 -15.301 5.284 250 HA GLN 34 HA GLN 34 -7.236 -14.705 7.510 251 1HB GLN 34 HB1 GLN 34 -4.991 -13.720 6.688 252 2HB GLN 34 HB2 GLN 34 -5.943 -12.618 5.714 253 1HG GLN 34 HG1 GLN 34 -7.094 -12.575 8.336 254 2HG GLN 34 HG2 GLN 34 -5.358 -12.490 8.559 255 1HE2 GLN 34 1HE2 GLN 34 -4.546 -10.550 8.591 256 2HE2 GLN 34 2HE2 GLN 34 -5.135 -9.143 7.769 257 H ARG 35 H ARG 35 -7.709 -13.769 4.064 258 HA ARG 35 HA ARG 35 -10.076 -12.316 4.846 259 1HB ARG 35 HB1 ARG 35 -8.163 -12.174 2.651 260 2HB ARG 35 HB2 ARG 35 -9.778 -12.347 1.992 261 1HG ARG 35 HG1 ARG 35 -10.378 -10.237 2.616 262 2HG ARG 35 HG2 ARG 35 -9.728 -10.437 4.231 263 1HD ARG 35 HD1 ARG 35 -7.605 -9.635 3.635 264 2HD ARG 35 HD2 ARG 35 -7.758 -10.143 1.965 265 HE ARG 35 HE ARG 35 -8.735 -8.081 1.458 266 1HH1 ARG 35 HH1 ARG 35 -9.915 -5.535 3.532 267 2HH1 ARG 35 HH1 ARG 35 -9.555 -5.995 1.901 268 1HH2 ARG 35 HH2 ARG 35 -9.565 -7.037 5.266 269 2HH2 ARG 35 HH2 ARG 35 -8.944 -8.619 4.929 270 H TYR 36 H TYR 36 -9.849 -15.315 5.024 271 HA TYR 36 HA TYR 36 -10.958 -17.160 4.476 272 1HB TYR 36 HB1 TYR 36 -13.134 -15.267 3.437 273 2HB TYR 36 HB2 TYR 36 -13.368 -16.774 4.299 274 HD1 TYR 36 HD1 TYR 36 -12.595 -16.851 6.782 275 HD2 TYR 36 HD2 TYR 36 -13.180 -13.222 4.592 276 HE1 TYR 36 HE1 TYR 36 -12.814 -15.562 8.962 277 HE2 TYR 36 HE2 TYR 36 -13.397 -11.945 6.780 278 HH TYR 36 HH TYR 36 -12.489 -13.276 9.740 279 1HN NH2 37 HN1 NH2 237 -9.954 -18.129 2.822 280 2HN NH2 37 HN2 NH2 237 -10.322 -17.897 1.146 Start of MODEL 14 1 H TYR 1 H TYR 1 -0.720 -5.554 -15.623 2 HA TYR 1 HA TYR 1 0.477 -2.948 -15.852 3 1HB TYR 1 HB1 TYR 1 1.748 -5.696 -16.315 4 2HB TYR 1 HB2 TYR 1 2.503 -4.284 -15.603 5 HD1 TYR 1 HD1 TYR 1 1.704 -3.528 -13.278 6 HD2 TYR 1 HD2 TYR 1 0.743 -7.345 -14.955 7 HE1 TYR 1 HE1 TYR 1 1.168 -4.421 -10.959 8 HE2 TYR 1 HE2 TYR 1 0.210 -8.225 -12.630 9 HH TYR 1 HH TYR 1 0.396 -7.829 -10.473 10 HA PRO 2 HA PRO 2 0.003 -3.549 -20.275 11 1HB PRO 2 HB1 PRO 2 -0.595 -0.955 -20.895 12 2HB PRO 2 HB2 PRO 2 -1.816 -2.167 -20.562 13 1HG PRO 2 HG1 PRO 2 -0.883 0.047 -18.839 14 2HG PRO 2 HG2 PRO 2 -2.357 -0.892 -18.717 15 1HD PRO 2 HD1 PRO 2 -0.010 -1.166 -17.092 16 2HD PRO 2 HD2 PRO 2 -1.439 -2.179 -17.048 17 H SER 3 H SER 3 1.281 -0.408 -19.269 18 HA SER 3 HA SER 3 3.898 -1.207 -19.926 19 1HB SER 3 HB1 SER 3 2.806 -0.838 -22.222 20 2HB SER 3 HB2 SER 3 2.668 0.857 -21.799 21 HG SER 3 HG SER 3 4.942 -0.645 -22.512 22 H LYS 4 H LYS 4 3.862 -0.386 -17.643 23 HA LYS 4 HA LYS 4 3.239 2.325 -17.138 24 1HB LYS 4 HB1 LYS 4 3.109 1.274 -15.161 25 2HB LYS 4 HB2 LYS 4 4.188 -0.015 -15.654 26 1HG LYS 4 HG1 LYS 4 6.146 1.560 -15.339 27 2HG LYS 4 HG2 LYS 4 5.034 2.775 -14.742 28 1HD LYS 4 HD1 LYS 4 4.576 1.593 -12.759 29 2HD LYS 4 HD2 LYS 4 4.969 0.039 -13.466 30 1HE LYS 4 HE1 LYS 4 7.419 1.123 -13.669 31 2HE LYS 4 HE2 LYS 4 6.831 2.156 -12.381 32 1HZ LYS 4 HZ1 LYS 4 6.558 0.365 -10.992 33 2HZ LYS 4 HZ2 LYS 4 6.499 -0.738 -12.195 34 3HZ LYS 4 HZ3 LYS 4 7.923 -0.047 -11.789 35 HA PRO 5 HA PRO 5 6.914 4.149 -18.497 36 1HB PRO 5 HB1 PRO 5 6.722 6.579 -17.262 37 2HB PRO 5 HB2 PRO 5 5.881 6.191 -18.750 38 1HG PRO 5 HG1 PRO 5 4.796 6.406 -16.009 39 2HG PRO 5 HG2 PRO 5 3.936 6.443 -17.535 40 1HD PRO 5 HD1 PRO 5 4.086 4.241 -15.704 41 2HD PRO 5 HD2 PRO 5 3.325 4.241 -17.282 42 H ASP 6 H ASP 6 8.602 5.962 -17.264 43 HA ASP 6 HA ASP 6 9.544 4.250 -15.099 44 1HB ASP 6 HB1 ASP 6 11.164 6.016 -16.994 45 2HB ASP 6 HB2 ASP 6 11.840 5.049 -15.699 46 H ASN 7 H ASN 7 10.067 5.326 -13.129 47 HA ASN 7 HA ASN 7 8.991 7.865 -12.768 48 1HB ASN 7 HB1 ASN 7 9.990 7.694 -10.480 49 2HB ASN 7 HB2 ASN 7 9.184 6.204 -10.931 50 1HD2 ASN 7 HD2 ASN 7 11.580 7.079 -9.199 51 2HD2 ASN 7 HD2 ASN 7 12.828 5.939 -9.576 52 HA PRO 8 HA PRO 8 12.673 9.935 -14.158 53 1HB PRO 8 HB1 PRO 8 11.616 12.451 -14.305 54 2HB PRO 8 HB2 PRO 8 11.513 11.291 -15.614 55 1HG PRO 8 HG1 PRO 8 9.405 12.151 -13.729 56 2HG PRO 8 HG2 PRO 8 9.232 11.341 -15.273 57 1HD PRO 8 HD1 PRO 8 8.990 10.152 -12.675 58 2HD PRO 8 HD2 PRO 8 8.933 9.321 -14.217 59 H GLY 9 H GLY 9 10.684 11.568 -11.731 60 1HA GLY 9 HA1 GLY 9 12.154 11.359 -9.544 61 2HA GLY 9 HA2 GLY 9 13.122 12.517 -10.436 62 H GLU 10 H GLU 10 9.558 11.965 -9.903 63 HA GLU 10 HA GLU 10 9.449 14.710 -8.948 64 1HB GLU 10 HB1 GLU 10 7.178 13.658 -10.628 65 2HB GLU 10 HB2 GLU 10 7.676 15.316 -10.355 66 1HG GLU 10 HG1 GLU 10 9.720 14.945 -11.733 67 2HG GLU 10 HG2 GLU 10 9.263 13.271 -11.979 68 H ASP 11 H ASP 11 9.630 13.096 -6.969 69 HA ASP 11 HA ASP 11 7.570 11.430 -6.322 70 1HB ASP 11 HB1 ASP 11 9.890 12.426 -5.092 71 2HB ASP 11 HB2 ASP 11 8.612 12.970 -4.024 72 H ALA 12 H ALA 12 5.534 11.751 -5.255 73 HA ALA 12 HA ALA 12 4.798 14.119 -3.972 74 1HB ALA 12 HB1 ALA 12 3.630 15.344 -5.553 75 2HB ALA 12 HB2 ALA 12 4.963 14.722 -6.556 76 3HB ALA 12 HB3 ALA 12 3.367 13.935 -6.609 77 HA PRO 13 HA PRO 13 1.618 11.409 -2.860 78 1HB PRO 13 HB1 PRO 13 -0.348 13.092 -1.982 79 2HB PRO 13 HB2 PRO 13 1.055 12.671 -1.019 80 1HG PRO 13 HG1 PRO 13 0.480 15.192 -2.452 81 2HG PRO 13 HG2 PRO 13 1.633 14.899 -1.165 82 1HD PRO 13 HD1 PRO 13 2.215 15.183 -3.960 83 2HD PRO 13 HD2 PRO 13 3.350 14.776 -2.689 84 H ALA 14 H ALA 14 -0.568 10.535 -3.217 85 HA ALA 14 HA ALA 14 -2.386 10.241 -4.496 86 1HB ALA 14 HB1 ALA 14 -1.586 12.347 -6.488 87 2HB ALA 14 HB2 ALA 14 -3.203 11.897 -5.897 88 3HB ALA 14 HB3 ALA 14 -2.114 12.857 -4.867 89 H GLU 15 H GLU 15 0.575 11.153 -6.388 90 HA GLU 15 HA GLU 15 0.017 9.016 -8.216 91 1HB GLU 15 HB1 GLU 15 1.241 11.469 -8.488 92 2HB GLU 15 HB2 GLU 15 2.639 10.418 -8.372 93 1HG GLU 15 HG1 GLU 15 0.783 9.097 -10.107 94 2HG GLU 15 HG2 GLU 15 0.811 10.777 -10.606 95 H ASP 16 H ASP 16 1.353 9.233 -5.147 96 HA ASP 16 HA ASP 16 3.357 7.211 -5.713 97 1HB ASP 16 HB1 ASP 16 2.881 9.202 -3.508 98 2HB ASP 16 HB2 ASP 16 3.656 7.697 -3.056 99 H LEU 17 H LEU 17 0.196 7.861 -4.296 100 HA LEU 17 HA LEU 17 0.042 5.806 -2.428 101 1HB LEU 17 HB1 LEU 17 -1.545 7.853 -3.250 102 2HB LEU 17 HB2 LEU 17 -2.405 6.484 -3.927 103 HG LEU 17 HG LEU 17 -1.739 5.800 -1.245 104 1HD1 LEU 17 HD1 LEU 17 -2.155 7.561 0.085 105 2HD1 LEU 17 HD1 LEU 17 -1.698 8.519 -1.344 106 3HD1 LEU 17 HD1 LEU 17 -3.415 8.214 -0.990 107 1HD2 LEU 17 HD2 LEU 17 -3.965 5.264 -1.088 108 2HD2 LEU 17 HD2 LEU 17 -4.490 6.669 -2.048 109 3HD2 LEU 17 HD2 LEU 17 -3.749 5.266 -2.855 110 H ALA 18 H ALA 18 0.299 5.724 -5.879 111 HA ALA 18 HA ALA 18 -1.173 3.375 -6.370 112 1HB ALA 18 HB1 ALA 18 0.232 3.347 -8.468 113 2HB ALA 18 HB2 ALA 18 -0.596 4.892 -8.161 114 3HB ALA 18 HB3 ALA 18 1.141 4.728 -7.809 115 H ARG 19 H ARG 19 2.303 4.028 -5.599 116 HA ARG 19 HA ARG 19 3.164 1.446 -5.886 117 1HB ARG 19 HB1 ARG 19 4.131 3.610 -3.949 118 2HB ARG 19 HB2 ARG 19 5.033 2.154 -4.319 119 1HG ARG 19 HG1 ARG 19 4.133 3.635 -6.731 120 2HG ARG 19 HG2 ARG 19 5.220 4.556 -5.711 121 1HD ARG 19 HD1 ARG 19 6.759 2.475 -5.698 122 2HD ARG 19 HD2 ARG 19 5.738 1.824 -6.965 123 HE ARG 19 HE ARG 19 7.610 4.086 -7.206 124 1HH1 ARG 19 HH1 ARG 19 6.951 4.441 -10.615 125 2HH1 ARG 19 HH1 ARG 19 7.988 4.903 -9.306 126 1HH2 ARG 19 HH2 ARG 19 5.178 2.993 -10.235 127 2HH2 ARG 19 HH2 ARG 19 4.891 2.374 -8.643 128 H TYR 20 H TYR 20 1.133 2.914 -3.448 129 HA TYR 20 HA TYR 20 1.680 0.799 -1.518 130 1HB TYR 20 HB1 TYR 20 1.427 2.947 -0.490 131 2HB TYR 20 HB2 TYR 20 0.294 3.495 -1.709 132 HD1 TYR 20 HD1 TYR 20 -2.099 3.005 -1.520 133 HD2 TYR 20 HD2 TYR 20 0.668 1.662 1.454 134 HE1 TYR 20 HE1 TYR 20 -4.026 2.525 0.067 135 HE2 TYR 20 HE2 TYR 20 -1.269 1.187 3.030 136 HH TYR 20 HH TYR 20 -4.237 2.430 2.663 137 H TYR 21 H TYR 21 -0.366 1.435 -4.202 138 HA TYR 21 HA TYR 21 -2.529 -0.195 -3.095 139 1HB TYR 21 HB1 TYR 21 -2.107 1.990 -5.044 140 2HB TYR 21 HB2 TYR 21 -2.950 0.661 -5.814 141 HD1 TYR 21 HD1 TYR 21 -5.158 -0.119 -4.883 142 HD2 TYR 21 HD2 TYR 21 -3.213 3.423 -3.478 143 HE1 TYR 21 HE1 TYR 21 -7.343 0.685 -3.864 144 HE2 TYR 21 HE2 TYR 21 -5.405 4.216 -2.464 145 HH TYR 21 HH TYR 21 -8.209 3.298 -3.295 146 H SER 22 H SER 22 0.140 -0.194 -5.435 147 HA SER 22 HA SER 22 -0.871 -2.483 -6.795 148 1HB SER 22 HB1 SER 22 1.477 -0.661 -7.014 149 2HB SER 22 HB2 SER 22 1.778 -2.308 -7.531 150 HG SER 22 HG SER 22 0.209 -2.151 -9.120 151 H ALA 23 H ALA 23 1.401 -1.724 -4.147 152 HA ALA 23 HA ALA 23 2.457 -4.399 -4.074 153 1HB ALA 23 HB1 ALA 23 3.549 -2.076 -3.426 154 2HB ALA 23 HB2 ALA 23 2.762 -2.383 -1.859 155 3HB ALA 23 HB3 ALA 23 3.944 -3.547 -2.505 156 H LEU 24 H LEU 24 -0.267 -2.602 -2.782 157 HA LEU 24 HA LEU 24 -0.683 -4.076 -0.444 158 1HB LEU 24 HB1 LEU 24 -2.214 -2.518 -0.210 159 2HB LEU 24 HB2 LEU 24 -1.895 -1.960 -1.841 160 HG LEU 24 HG LEU 24 -4.242 -2.313 -1.628 161 1HD1 LEU 24 HD1 LEU 24 -2.648 -3.739 -3.512 162 2HD1 LEU 24 HD1 LEU 24 -4.072 -4.734 -3.120 163 3HD1 LEU 24 HD1 LEU 24 -4.285 -3.068 -3.710 164 1HD2 LEU 24 HD2 LEU 24 -4.453 -5.144 -1.205 165 2HD2 LEU 24 HD2 LEU 24 -3.511 -4.415 0.117 166 3HD2 LEU 24 HD2 LEU 24 -5.140 -3.804 -0.256 167 H ARG 25 H ARG 25 -0.789 -5.005 -3.747 168 HA ARG 25 HA ARG 25 -2.819 -6.972 -3.343 169 1HB ARG 25 HB1 ARG 25 -2.099 -5.653 -5.559 170 2HB ARG 25 HB2 ARG 25 -0.943 -6.959 -5.723 171 1HG ARG 25 HG1 ARG 25 -2.556 -8.493 -6.268 172 2HG ARG 25 HG2 ARG 25 -3.669 -7.905 -5.049 173 1HD ARG 25 HD1 ARG 25 -4.866 -6.907 -6.701 174 2HD ARG 25 HD2 ARG 25 -3.524 -5.809 -6.957 175 HE ARG 25 HE ARG 25 -3.205 -8.421 -8.273 176 1HH1 ARG 25 HH1 ARG 25 -3.636 -7.039 -11.448 177 2HH1 ARG 25 HH1 ARG 25 -3.146 -8.441 -10.557 178 1HH2 ARG 25 HH2 ARG 25 -4.353 -5.140 -10.321 179 2HH2 ARG 25 HH2 ARG 25 -4.397 -5.126 -8.590 180 H HIS 26 H HIS 26 0.726 -6.957 -4.193 181 HA HIS 26 HA HIS 26 1.051 -9.707 -3.925 182 1HB HIS 26 HB1 HIS 26 2.593 -7.531 -4.708 183 2HB HIS 26 HB2 HIS 26 3.421 -8.115 -3.279 184 HD1 HIS 26 HD1 HIS 26 4.567 -8.358 -6.220 185 HD2 HIS 26 HD2 HIS 26 2.595 -11.401 -4.112 186 HE1 HIS 26 HE1 HIS 26 5.329 -10.559 -7.263 187 H TYR 27 H TYR 27 0.605 -7.183 -1.571 188 HA TYR 27 HA TYR 27 1.893 -8.680 0.548 189 1HB TYR 27 HB1 TYR 27 2.084 -6.326 0.836 190 2HB TYR 27 HB2 TYR 27 0.573 -6.012 0.006 191 HD1 TYR 27 HD1 TYR 27 -0.941 -4.901 1.357 192 HD2 TYR 27 HD2 TYR 27 1.513 -7.945 3.095 193 HE1 TYR 27 HE1 TYR 27 -2.093 -4.560 3.598 194 HE2 TYR 27 HE2 TYR 27 0.353 -7.593 5.330 195 HH TYR 27 HH TYR 27 -2.504 -5.703 5.600 196 H ILE 28 H ILE 28 -1.418 -7.757 -0.557 197 HA ILE 28 HA ILE 28 -2.600 -9.163 1.664 198 HB ILE 28 HB ILE 28 -3.702 -7.655 -0.701 199 1HG1 ILE 28 1HG1 ILE 28 -2.680 -6.294 1.060 200 2HG1 ILE 28 2HG1 ILE 28 -4.412 -6.041 0.970 201 1HG2 ILE 28 1HG2 ILE 28 -5.273 -9.411 -0.315 202 2HG2 ILE 28 2HG2 ILE 28 -5.195 -9.177 1.448 203 3HG2 ILE 28 3HG2 ILE 28 -5.929 -7.926 0.416 204 1HD1 ILE 28 1HD1 ILE 28 -2.859 -7.634 3.040 205 2HD1 ILE 28 2HD1 ILE 28 -3.957 -6.257 3.299 206 3HD1 ILE 28 3HD1 ILE 28 -4.614 -7.843 2.828 207 H ASN 29 H ASN 29 -1.144 -10.047 -1.245 208 HA ASN 29 HA ASN 29 -2.874 -11.822 -2.362 209 1HB ASN 29 HB1 ASN 29 -0.968 -12.728 -3.471 210 2HB ASN 29 HB2 ASN 29 -0.456 -11.100 -3.071 211 1HD2 ASN 29 HD2 ASN 29 0.079 -11.232 -0.416 212 2HD2 ASN 29 HD2 ASN 29 1.406 -12.297 -0.091 213 H LEU 30 H LEU 30 -1.269 -11.875 0.739 214 HA LEU 30 HA LEU 30 -1.267 -14.728 1.032 215 1HB LEU 30 HB1 LEU 30 0.317 -14.105 2.434 216 2HB LEU 30 HB2 LEU 30 -0.194 -12.429 2.390 217 HG LEU 30 HG LEU 30 -1.939 -12.982 4.116 218 1HD1 LEU 30 HD1 LEU 30 -1.323 -15.617 3.482 219 2HD1 LEU 30 HD1 LEU 30 -0.596 -15.373 5.089 220 3HD1 LEU 30 HD1 LEU 30 -2.328 -15.051 4.837 221 1HD2 LEU 30 HD2 LEU 30 -0.509 -12.296 5.690 222 2HD2 LEU 30 HD2 LEU 30 0.533 -13.726 5.502 223 3HD2 LEU 30 HD2 LEU 30 0.720 -12.338 4.404 224 H ALA 31 H ALA 31 -3.573 -12.150 1.280 225 HA ALA 31 HA ALA 31 -5.304 -13.852 2.933 226 1HB ALA 31 HB1 ALA 31 -4.747 -10.977 2.814 227 2HB ALA 31 HB2 ALA 31 -6.487 -11.334 2.699 228 3HB ALA 31 HB3 ALA 31 -5.546 -11.929 4.087 229 1HN AIB 32 1HN AIB 32 -5.292 -15.012 0.631 230 1HB1 AIB 32 1HB1 AIB 32 -6.753 -16.032 -2.522 231 2HB1 AIB 32 2HB1 AIB 32 -6.460 -16.839 -0.959 232 3HB1 AIB 32 3HB1 AIB 32 -5.182 -15.854 -1.691 233 1HB2 AIB 32 1HB2 AIB 32 -6.281 -12.599 -1.381 234 2HB2 AIB 32 2HB2 AIB 32 -7.908 -13.067 -1.902 235 3HB2 AIB 32 3HB2 AIB 32 -6.484 -13.719 -2.756 236 H ARG 33 H ARG 33 -7.642 -15.276 1.623 237 HA ARG 33 HA ARG 33 -10.144 -16.253 0.803 238 1HB ARG 33 HB1 ARG 33 -9.680 -17.260 2.814 239 2HB ARG 33 HB2 ARG 33 -8.612 -15.966 3.318 240 1HG ARG 33 HG1 ARG 33 -10.589 -16.110 4.808 241 2HG ARG 33 HG2 ARG 33 -10.548 -14.570 3.973 242 1HD ARG 33 HD1 ARG 33 -12.000 -16.189 2.206 243 2HD ARG 33 HD2 ARG 33 -12.531 -16.758 3.776 244 HE ARG 33 HE ARG 33 -13.107 -14.162 2.591 245 1HH1 ARG 33 HH1 ARG 33 -14.638 -12.917 5.470 246 2HH1 ARG 33 HH1 ARG 33 -14.391 -12.685 3.771 247 1HH2 ARG 33 HH2 ARG 33 -13.664 -14.727 6.547 248 2HH2 ARG 33 HH2 ARG 33 -12.691 -15.847 5.653 249 H GLN 34 H GLN 34 -8.974 -13.248 2.455 250 HA GLN 34 HA GLN 34 -11.283 -12.082 3.114 251 1HB GLN 34 HB1 GLN 34 -8.579 -11.207 2.490 252 2HB GLN 34 HB2 GLN 34 -9.728 -10.002 1.944 253 1HG GLN 34 HG1 GLN 34 -10.839 -10.418 4.339 254 2HG GLN 34 HG2 GLN 34 -9.248 -11.031 4.747 255 1HE2 GLN 34 1HE2 GLN 34 -10.395 -8.794 5.926 256 2HE2 GLN 34 2HE2 GLN 34 -9.487 -7.376 5.521 257 H ARG 35 H ARG 35 -9.714 -11.961 -0.157 258 HA ARG 35 HA ARG 35 -12.117 -10.730 -1.165 259 1HB ARG 35 HB1 ARG 35 -9.288 -11.070 -2.135 260 2HB ARG 35 HB2 ARG 35 -10.528 -10.964 -3.370 261 1HG ARG 35 HG1 ARG 35 -11.061 -8.931 -1.381 262 2HG ARG 35 HG2 ARG 35 -9.369 -8.828 -1.827 263 1HD ARG 35 HD1 ARG 35 -10.291 -7.499 -3.505 264 2HD ARG 35 HD2 ARG 35 -10.331 -9.053 -4.316 265 HE ARG 35 HE ARG 35 -12.741 -8.493 -2.735 266 1HH1 ARG 35 HH1 ARG 35 -14.694 -7.983 -5.581 267 2HH1 ARG 35 HH1 ARG 35 -14.708 -8.227 -3.867 268 1HH2 ARG 35 HH2 ARG 35 -12.677 -7.927 -6.729 269 2HH2 ARG 35 HH2 ARG 35 -11.186 -8.129 -5.870 270 H TYR 36 H TYR 36 -12.130 -13.548 -0.219 271 HA TYR 36 HA TYR 36 -12.921 -15.524 -0.834 272 1HB TYR 36 HB1 TYR 36 -13.476 -14.331 -3.597 273 2HB TYR 36 HB2 TYR 36 -14.463 -15.480 -2.717 274 HD1 TYR 36 HD1 TYR 36 -15.616 -14.624 -0.542 275 HD2 TYR 36 HD2 TYR 36 -14.000 -12.044 -3.548 276 HE1 TYR 36 HE1 TYR 36 -17.069 -12.717 0.303 277 HE2 TYR 36 HE2 TYR 36 -15.459 -10.145 -2.692 278 HH TYR 36 HH TYR 36 -16.870 -10.141 0.244 279 1HN NH2 37 HN1 NH2 237 -11.364 -16.972 -1.017 280 2HN NH2 37 HN2 NH2 237 -10.356 -17.234 -2.400 Start of MODEL 15 1 H TYR 1 H TYR 1 -1.501 -6.802 -26.154 2 HA TYR 1 HA TYR 1 -1.873 -6.194 -23.598 3 1HB TYR 1 HB1 TYR 1 -0.912 -4.425 -24.806 4 2HB TYR 1 HB2 TYR 1 -1.849 -4.799 -26.239 5 HD1 TYR 1 HD1 TYR 1 -2.035 -3.101 -22.926 6 HD2 TYR 1 HD2 TYR 1 -3.746 -3.508 -26.826 7 HE1 TYR 1 HE1 TYR 1 -3.512 -1.077 -22.497 8 HE2 TYR 1 HE2 TYR 1 -5.217 -1.482 -26.384 9 HH TYR 1 HH TYR 1 -4.766 0.703 -24.544 10 HA PRO 2 HA PRO 2 -6.279 -6.411 -23.268 11 1HB PRO 2 HB1 PRO 2 -6.362 -6.871 -20.575 12 2HB PRO 2 HB2 PRO 2 -6.252 -8.154 -21.764 13 1HG PRO 2 HG1 PRO 2 -4.144 -7.086 -19.988 14 2HG PRO 2 HG2 PRO 2 -4.182 -8.609 -20.854 15 1HD PRO 2 HD1 PRO 2 -2.688 -6.266 -21.567 16 2HD PRO 2 HD2 PRO 2 -2.818 -7.748 -22.493 17 H SER 3 H SER 3 -4.419 -4.798 -20.728 18 HA SER 3 HA SER 3 -5.301 -2.296 -21.425 19 1HB SER 3 HB1 SER 3 -7.164 -3.804 -19.649 20 2HB SER 3 HB2 SER 3 -6.773 -2.184 -19.108 21 HG SER 3 HG SER 3 -8.615 -2.759 -20.851 22 H LYS 4 H LYS 4 -5.214 -4.001 -18.205 23 HA LYS 4 HA LYS 4 -3.754 -3.926 -16.544 24 1HB LYS 4 HB1 LYS 4 -1.634 -4.124 -17.181 25 2HB LYS 4 HB2 LYS 4 -2.114 -3.657 -18.800 26 1HG LYS 4 HG1 LYS 4 -1.760 -1.264 -18.250 27 2HG LYS 4 HG2 LYS 4 -1.371 -1.679 -16.593 28 1HD LYS 4 HD1 LYS 4 0.196 -2.802 -18.954 29 2HD LYS 4 HD2 LYS 4 0.621 -1.282 -18.193 30 1HE LYS 4 HE1 LYS 4 0.666 -2.585 -15.950 31 2HE LYS 4 HE2 LYS 4 0.589 -4.047 -16.912 32 1HZ LYS 4 HZ1 LYS 4 2.625 -1.976 -17.329 33 2HZ LYS 4 HZ2 LYS 4 2.850 -3.269 -16.358 34 3HZ LYS 4 HZ3 LYS 4 2.604 -3.482 -17.958 35 HA PRO 5 HA PRO 5 -4.467 -0.060 -14.768 36 1HB PRO 5 HB1 PRO 5 -2.792 -0.069 -12.608 37 2HB PRO 5 HB2 PRO 5 -4.328 -0.913 -12.634 38 1HG PRO 5 HG1 PRO 5 -1.598 -2.026 -12.850 39 2HG PRO 5 HG2 PRO 5 -3.091 -2.851 -12.450 40 1HD PRO 5 HD1 PRO 5 -1.712 -2.920 -14.964 41 2HD PRO 5 HD2 PRO 5 -3.263 -3.650 -14.599 42 H ASP 6 H ASP 6 -4.108 1.883 -15.614 43 HA ASP 6 HA ASP 6 -1.380 2.779 -15.452 44 1HB ASP 6 HB1 ASP 6 -2.708 1.967 -17.948 45 2HB ASP 6 HB2 ASP 6 -2.217 3.648 -18.011 46 H ASN 7 H ASN 7 -1.294 5.220 -15.939 47 HA ASN 7 HA ASN 7 -3.483 6.728 -16.497 48 1HB ASN 7 HB1 ASN 7 -3.599 5.671 -13.796 49 2HB ASN 7 HB2 ASN 7 -3.324 7.398 -13.689 50 1HD2 ASN 7 HD2 ASN 7 -5.451 7.413 -12.735 51 2HD2 ASN 7 HD2 ASN 7 -6.863 7.483 -13.736 52 HA PRO 8 HA PRO 8 -0.274 9.685 -16.053 53 1HB PRO 8 HB1 PRO 8 -1.610 12.057 -15.818 54 2HB PRO 8 HB2 PRO 8 -1.369 11.241 -17.350 55 1HG PRO 8 HG1 PRO 8 -3.826 11.430 -15.716 56 2HG PRO 8 HG2 PRO 8 -3.663 11.003 -17.408 57 1HD PRO 8 HD1 PRO 8 -4.133 9.207 -15.222 58 2HD PRO 8 HD2 PRO 8 -3.854 8.770 -16.896 59 H GLY 9 H GLY 9 0.934 11.227 -14.727 60 1HA GLY 9 HA1 GLY 9 -0.069 11.285 -11.963 61 2HA GLY 9 HA2 GLY 9 1.498 10.571 -12.290 62 H GLU 10 H GLU 10 3.034 12.007 -13.711 63 HA GLU 10 HA GLU 10 4.340 13.771 -13.518 64 1HB GLU 10 HB1 GLU 10 1.976 15.523 -14.187 65 2HB GLU 10 HB2 GLU 10 3.593 15.547 -14.860 66 1HG GLU 10 HG1 GLU 10 2.969 13.120 -15.743 67 2HG GLU 10 HG2 GLU 10 1.318 13.643 -15.476 68 H ASP 11 H ASP 11 4.752 13.760 -11.218 69 HA ASP 11 HA ASP 11 4.741 14.520 -9.183 70 1HB ASP 11 HB1 ASP 11 5.008 16.699 -10.853 71 2HB ASP 11 HB2 ASP 11 3.633 17.204 -9.890 72 H ALA 12 H ALA 12 3.002 13.368 -8.175 73 HA ALA 12 HA ALA 12 0.790 14.907 -7.340 74 1HB ALA 12 HB1 ALA 12 -0.951 14.111 -8.620 75 2HB ALA 12 HB2 ALA 12 0.342 14.053 -9.843 76 3HB ALA 12 HB3 ALA 12 -0.130 12.572 -8.976 77 HA PRO 13 HA PRO 13 1.007 11.807 -4.334 78 1HB PRO 13 HB1 PRO 13 -1.425 12.026 -3.107 79 2HB PRO 13 HB2 PRO 13 -0.090 13.114 -2.787 80 1HG PRO 13 HG1 PRO 13 -2.538 13.600 -4.372 81 2HG PRO 13 HG2 PRO 13 -1.420 14.766 -3.693 82 1HD PRO 13 HD1 PRO 13 -1.596 13.955 -6.438 83 2HD PRO 13 HD2 PRO 13 -0.405 15.033 -5.738 84 H ALA 14 H ALA 14 -1.152 11.579 -6.885 85 HA ALA 14 HA ALA 14 -2.426 9.178 -6.143 86 1HB ALA 14 HB1 ALA 14 -2.607 11.063 -8.183 87 2HB ALA 14 HB2 ALA 14 -2.020 9.606 -9.021 88 3HB ALA 14 HB3 ALA 14 -3.529 9.544 -8.079 89 H GLU 15 H GLU 15 0.743 10.000 -7.512 90 HA GLU 15 HA GLU 15 1.213 7.307 -8.339 91 1HB GLU 15 HB1 GLU 15 2.162 9.336 -9.513 92 2HB GLU 15 HB2 GLU 15 3.174 9.633 -8.113 93 1HG GLU 15 HG1 GLU 15 3.308 6.845 -9.161 94 2HG GLU 15 HG2 GLU 15 3.900 8.065 -10.271 95 H ASP 16 H ASP 16 1.374 9.115 -5.404 96 HA ASP 16 HA ASP 16 3.522 7.558 -4.323 97 1HB ASP 16 HB1 ASP 16 1.733 9.792 -3.345 98 2HB ASP 16 HB2 ASP 16 2.585 8.826 -2.156 99 H LEU 17 H LEU 17 0.000 7.593 -4.547 100 HA LEU 17 HA LEU 17 -0.295 5.742 -2.326 101 1HB LEU 17 HB1 LEU 17 -1.847 7.795 -3.332 102 2HB LEU 17 HB2 LEU 17 -2.658 6.360 -3.929 103 HG LEU 17 HG LEU 17 -2.082 5.844 -1.210 104 1HD1 LEU 17 HD1 LEU 17 -3.626 8.398 -1.245 105 2HD1 LEU 17 HD1 LEU 17 -2.648 7.661 0.047 106 3HD1 LEU 17 HD1 LEU 17 -1.849 8.482 -1.315 107 1HD2 LEU 17 HD2 LEU 17 -4.029 4.880 -1.747 108 2HD2 LEU 17 HD2 LEU 17 -4.755 6.435 -1.272 109 3HD2 LEU 17 HD2 LEU 17 -4.409 6.100 -2.986 110 H ALA 18 H ALA 18 0.049 5.825 -5.813 111 HA ALA 18 HA ALA 18 -1.287 3.446 -6.433 112 1HB ALA 18 HB1 ALA 18 -0.372 5.339 -7.949 113 2HB ALA 18 HB2 ALA 18 1.183 4.479 -7.848 114 3HB ALA 18 HB3 ALA 18 -0.241 3.665 -8.540 115 H ARG 19 H ARG 19 2.165 4.149 -5.577 116 HA ARG 19 HA ARG 19 3.062 1.580 -5.879 117 1HB ARG 19 HB1 ARG 19 4.941 2.283 -4.388 118 2HB ARG 19 HB2 ARG 19 4.565 3.520 -5.571 119 1HG ARG 19 HG1 ARG 19 3.644 4.969 -3.985 120 2HG ARG 19 HG2 ARG 19 3.124 3.668 -2.933 121 1HD ARG 19 HD1 ARG 19 5.958 3.458 -3.009 122 2HD ARG 19 HD2 ARG 19 5.634 5.177 -2.895 123 HE ARG 19 HE ARG 19 4.873 4.855 -0.710 124 1HH1 ARG 19 HH1 ARG 19 4.086 1.941 1.041 125 2HH1 ARG 19 HH1 ARG 19 4.307 3.655 1.150 126 1HH2 ARG 19 HH2 ARG 19 4.366 0.862 -0.995 127 2HH2 ARG 19 HH2 ARG 19 4.795 1.772 -2.405 128 H TYR 20 H TYR 20 0.982 2.997 -3.453 129 HA TYR 20 HA TYR 20 1.537 0.872 -1.535 130 1HB TYR 20 HB1 TYR 20 1.245 3.007 -0.491 131 2HB TYR 20 HB2 TYR 20 0.118 3.551 -1.717 132 HD1 TYR 20 HD1 TYR 20 0.416 1.234 1.197 133 HD2 TYR 20 HD2 TYR 20 -2.205 3.488 -1.324 134 HE1 TYR 20 HE1 TYR 20 -1.531 0.719 2.749 135 HE2 TYR 20 HE2 TYR 20 -4.143 2.966 0.237 136 HH TYR 20 HH TYR 20 -4.808 1.816 1.953 137 H TYR 21 H TYR 21 -0.485 1.502 -4.238 138 HA TYR 21 HA TYR 21 -2.638 -0.167 -3.169 139 1HB TYR 21 HB1 TYR 21 -2.227 2.046 -5.090 140 2HB TYR 21 HB2 TYR 21 -3.043 0.714 -5.884 141 HD1 TYR 21 HD1 TYR 21 -4.818 -0.367 -3.838 142 HD2 TYR 21 HD2 TYR 21 -3.799 3.705 -4.667 143 HE1 TYR 21 HE1 TYR 21 -7.026 0.397 -2.837 144 HE2 TYR 21 HE2 TYR 21 -6.012 4.455 -3.663 145 HH TYR 21 HH TYR 21 -8.320 2.063 -2.398 146 H SER 22 H SER 22 0.051 -0.100 -5.487 147 HA SER 22 HA SER 22 -0.914 -2.392 -6.875 148 1HB SER 22 HB1 SER 22 1.139 -0.389 -7.237 149 2HB SER 22 HB2 SER 22 1.885 -1.970 -7.358 150 HG SER 22 HG SER 22 -0.288 -2.288 -8.774 151 H ALA 23 H ALA 23 1.302 -1.620 -4.190 152 HA ALA 23 HA ALA 23 2.415 -4.277 -4.141 153 1HB ALA 23 HB1 ALA 23 2.675 -1.794 -2.414 154 2HB ALA 23 HB2 ALA 23 3.464 -3.335 -2.003 155 3HB ALA 23 HB3 ALA 23 3.879 -2.499 -3.518 156 H LEU 24 H LEU 24 -0.355 -2.547 -2.869 157 HA LEU 24 HA LEU 24 -0.758 -4.042 -0.538 158 1HB LEU 24 HB1 LEU 24 -2.324 -2.522 -0.300 159 2HB LEU 24 HB2 LEU 24 -1.989 -1.930 -1.915 160 HG LEU 24 HG LEU 24 -4.332 -2.322 -1.749 161 1HD1 LEU 24 HD1 LEU 24 -4.325 -3.046 -3.842 162 2HD1 LEU 24 HD1 LEU 24 -2.687 -3.707 -3.622 163 3HD1 LEU 24 HD1 LEU 24 -4.110 -4.718 -3.270 164 1HD2 LEU 24 HD2 LEU 24 -4.508 -5.162 -1.366 165 2HD2 LEU 24 HD2 LEU 24 -3.600 -4.435 -0.018 166 3HD2 LEU 24 HD2 LEU 24 -5.233 -3.845 -0.413 167 H ARG 25 H ARG 25 -0.816 -4.951 -3.846 168 HA ARG 25 HA ARG 25 -2.838 -6.927 -3.512 169 1HB ARG 25 HB1 ARG 25 -2.145 -5.657 -5.701 170 2HB ARG 25 HB2 ARG 25 -0.819 -6.799 -5.791 171 1HG ARG 25 HG1 ARG 25 -2.203 -8.335 -6.714 172 2HG ARG 25 HG2 ARG 25 -3.171 -8.341 -5.253 173 1HD ARG 25 HD1 ARG 25 -4.498 -6.408 -6.103 174 2HD ARG 25 HD2 ARG 25 -3.509 -6.347 -7.548 175 HE ARG 25 HE ARG 25 -4.611 -8.258 -8.385 176 1HH1 ARG 25 HH1 ARG 25 -7.226 -10.086 -6.970 177 2HH1 ARG 25 HH1 ARG 25 -6.302 -9.795 -8.406 178 1HH2 ARG 25 HH2 ARG 25 -6.747 -8.914 -5.025 179 2HH2 ARG 25 HH2 ARG 25 -5.465 -7.749 -5.009 180 H HIS 26 H HIS 26 0.709 -7.018 -4.371 181 HA HIS 26 HA HIS 26 1.010 -9.735 -4.001 182 1HB HIS 26 HB1 HIS 26 2.574 -7.695 -4.884 183 2HB HIS 26 HB2 HIS 26 3.322 -8.002 -3.329 184 HD1 HIS 26 HD1 HIS 26 5.183 -8.642 -5.461 185 HD2 HIS 26 HD2 HIS 26 2.232 -11.404 -4.339 186 HE1 HIS 26 HE1 HIS 26 5.994 -10.922 -6.268 187 H TYR 27 H TYR 27 0.650 -7.127 -1.683 188 HA TYR 27 HA TYR 27 1.827 -8.614 0.485 189 1HB TYR 27 HB1 TYR 27 1.983 -6.245 0.717 190 2HB TYR 27 HB2 TYR 27 0.462 -5.974 -0.111 191 HD1 TYR 27 HD1 TYR 27 -0.646 -4.531 1.396 192 HD2 TYR 27 HD2 TYR 27 1.030 -8.195 2.833 193 HE1 TYR 27 HE1 TYR 27 -1.798 -4.188 3.637 194 HE2 TYR 27 HE2 TYR 27 -0.127 -7.840 5.069 195 HH TYR 27 HH TYR 27 -0.942 -5.757 6.361 196 H ILE 28 H ILE 28 -1.461 -7.769 -0.734 197 HA ILE 28 HA ILE 28 -2.677 -9.170 1.479 198 HB ILE 28 HB ILE 28 -3.744 -7.661 -0.900 199 1HG1 ILE 28 1HG1 ILE 28 -2.775 -6.301 0.891 200 2HG1 ILE 28 2HG1 ILE 28 -4.507 -6.065 0.766 201 1HG2 ILE 28 1HG2 ILE 28 -5.129 -9.530 0.951 202 2HG2 ILE 28 2HG2 ILE 28 -5.942 -7.987 0.596 203 3HG2 ILE 28 3HG2 ILE 28 -5.498 -9.086 -0.733 204 1HD1 ILE 28 1HD1 ILE 28 -4.446 -6.403 3.035 205 2HD1 ILE 28 2HD1 ILE 28 -4.447 -8.122 2.574 206 3HD1 ILE 28 3HD1 ILE 28 -2.914 -7.304 2.960 207 H ASN 29 H ASN 29 -1.122 -10.064 -1.354 208 HA ASN 29 HA ASN 29 -2.846 -11.857 -2.502 209 1HB ASN 29 HB1 ASN 29 -0.869 -12.828 -3.531 210 2HB ASN 29 HB2 ASN 29 -0.547 -11.115 -3.352 211 1HD2 ASN 29 HD2 ASN 29 1.355 -13.222 -3.609 212 2HD2 ASN 29 HD2 ASN 29 2.347 -13.250 -2.189 213 H LEU 30 H LEU 30 -1.158 -11.885 0.570 214 HA LEU 30 HA LEU 30 -1.329 -14.770 0.836 215 1HB LEU 30 HB1 LEU 30 0.571 -14.315 1.883 216 2HB LEU 30 HB2 LEU 30 0.199 -12.609 2.030 217 HG LEU 30 HG LEU 30 -1.223 -13.134 4.022 218 1HD1 LEU 30 HD1 LEU 30 -1.063 -15.750 3.125 219 2HD1 LEU 30 HD1 LEU 30 0.003 -15.728 4.549 220 3HD1 LEU 30 HD1 LEU 30 -1.691 -15.204 4.698 221 1HD2 LEU 30 HD2 LEU 30 1.394 -14.234 4.811 222 2HD2 LEU 30 HD2 LEU 30 1.469 -12.733 3.858 223 3HD2 LEU 30 HD2 LEU 30 0.534 -12.780 5.371 224 H ALA 31 H ALA 31 -3.212 -11.922 1.404 225 HA ALA 31 HA ALA 31 -4.798 -13.320 3.434 226 1HB ALA 31 HB1 ALA 31 -5.396 -10.502 2.679 227 2HB ALA 31 HB2 ALA 31 -5.311 -11.264 4.286 228 3HB ALA 31 HB3 ALA 31 -3.816 -10.785 3.448 229 1HN AIB 32 1HN AIB 32 -5.093 -14.556 1.060 230 1HB1 AIB 32 1HB1 AIB 32 -5.499 -15.656 -0.980 231 2HB1 AIB 32 2HB1 AIB 32 -7.156 -15.788 -1.628 232 3HB1 AIB 32 3HB1 AIB 32 -6.782 -16.459 -0.031 233 1HB2 AIB 32 1HB2 AIB 32 -7.428 -12.203 -0.699 234 2HB2 AIB 32 2HB2 AIB 32 -7.609 -13.414 -1.979 235 3HB2 AIB 32 3HB2 AIB 32 -5.978 -12.880 -1.490 236 H ARG 33 H ARG 33 -7.397 -15.221 2.349 237 HA ARG 33 HA ARG 33 -10.003 -15.813 2.141 238 1HB ARG 33 HB1 ARG 33 -9.288 -16.490 4.216 239 2HB ARG 33 HB2 ARG 33 -8.125 -15.186 4.339 240 1HG ARG 33 HG1 ARG 33 -9.872 -14.972 6.084 241 2HG ARG 33 HG2 ARG 33 -9.913 -13.602 4.992 242 1HD ARG 33 HD1 ARG 33 -12.097 -14.041 4.559 243 2HD ARG 33 HD2 ARG 33 -11.630 -15.563 3.826 244 HE ARG 33 HE ARG 33 -12.675 -15.175 6.554 245 1HH1 ARG 33 HH1 ARG 33 -12.685 -18.608 7.179 246 2HH1 ARG 33 HH1 ARG 33 -13.209 -17.055 7.739 247 1HH2 ARG 33 HH2 ARG 33 -11.441 -18.779 5.227 248 2HH2 ARG 33 HH2 ARG 33 -11.037 -17.354 4.330 249 H GLN 34 H GLN 34 -8.501 -12.622 2.894 250 HA GLN 34 HA GLN 34 -10.770 -11.285 3.637 251 1HB GLN 34 HB1 GLN 34 -8.205 -10.395 2.281 252 2HB GLN 34 HB2 GLN 34 -9.463 -9.238 2.670 253 1HG GLN 34 HG1 GLN 34 -9.090 -10.876 5.000 254 2HG GLN 34 HG2 GLN 34 -7.493 -10.426 4.434 255 1HE2 GLN 34 1HE2 GLN 34 -10.481 -9.371 5.794 256 2HE2 GLN 34 2HE2 GLN 34 -10.061 -7.722 6.117 257 H ARG 35 H ARG 35 -9.921 -12.630 0.563 258 HA ARG 35 HA ARG 35 -11.545 -10.765 -0.887 259 1HB ARG 35 HB1 ARG 35 -9.343 -12.195 -1.613 260 2HB ARG 35 HB2 ARG 35 -10.574 -13.323 -2.146 261 1HG ARG 35 HG1 ARG 35 -11.521 -10.827 -3.050 262 2HG ARG 35 HG2 ARG 35 -9.790 -10.731 -3.307 263 1HD ARG 35 HD1 ARG 35 -9.804 -12.351 -4.948 264 2HD ARG 35 HD2 ARG 35 -10.998 -13.331 -4.120 265 HE ARG 35 HE ARG 35 -12.386 -11.037 -4.956 266 1HH1 ARG 35 HH1 ARG 35 -13.194 -12.009 -8.209 267 2HH1 ARG 35 HH1 ARG 35 -13.579 -10.939 -6.903 268 1HH2 ARG 35 HH2 ARG 35 -11.467 -13.543 -7.982 269 2HH2 ARG 35 HH2 ARG 35 -10.563 -13.617 -6.506 270 H TYR 36 H TYR 36 -12.559 -12.734 1.293 271 HA TYR 36 HA TYR 36 -14.927 -13.503 -0.124 272 1HB TYR 36 HB1 TYR 36 -13.277 -15.641 1.328 273 2HB TYR 36 HB2 TYR 36 -14.607 -15.906 0.218 274 HD1 TYR 36 HD1 TYR 36 -14.268 -15.728 -2.222 275 HD2 TYR 36 HD2 TYR 36 -11.018 -15.248 0.518 276 HE1 TYR 36 HE1 TYR 36 -12.610 -16.039 -4.123 277 HE2 TYR 36 HE2 TYR 36 -9.370 -15.560 -1.393 278 HH TYR 36 HH TYR 36 -9.352 -16.649 -3.590 279 1HN NH2 37 HN1 NH2 237 -12.934 -14.024 2.789 280 2HN NH2 37 HN2 NH2 237 -14.192 -13.747 3.947 Start of MODEL 16 1 H TYR 1 H TYR 1 7.350 12.602 -23.612 2 HA TYR 1 HA TYR 1 8.049 14.701 -24.695 3 1HB TYR 1 HB1 TYR 1 8.570 15.536 -21.795 4 2HB TYR 1 HB2 TYR 1 8.492 16.577 -23.203 5 HD1 TYR 1 HD1 TYR 1 5.990 16.091 -24.475 6 HD2 TYR 1 HD2 TYR 1 6.880 16.018 -20.291 7 HE1 TYR 1 HE1 TYR 1 3.560 16.619 -23.942 8 HE2 TYR 1 HE2 TYR 1 4.447 16.545 -19.772 9 HH TYR 1 HH TYR 1 2.169 17.273 -22.361 10 HA PRO 2 HA PRO 2 11.682 12.319 -23.687 11 1HB PRO 2 HB1 PRO 2 12.526 11.937 -26.258 12 2HB PRO 2 HB2 PRO 2 11.467 10.819 -25.421 13 1HG PRO 2 HG1 PRO 2 10.797 12.776 -27.532 14 2HG PRO 2 HG2 PRO 2 9.878 11.385 -26.993 15 1HD PRO 2 HD1 PRO 2 9.362 14.135 -26.358 16 2HD PRO 2 HD2 PRO 2 8.515 12.736 -25.727 17 H SER 3 H SER 3 12.668 14.003 -22.563 18 HA SER 3 HA SER 3 14.489 15.410 -24.325 19 1HB SER 3 HB1 SER 3 12.286 16.621 -22.855 20 2HB SER 3 HB2 SER 3 13.809 17.247 -22.256 21 HG SER 3 HG SER 3 13.400 17.072 -25.088 22 H LYS 4 H LYS 4 15.908 13.661 -23.405 23 HA LYS 4 HA LYS 4 17.489 12.966 -22.032 24 1HB LYS 4 HB1 LYS 4 18.844 14.635 -21.469 25 2HB LYS 4 HB2 LYS 4 17.568 15.763 -21.879 26 1HG LYS 4 HG1 LYS 4 16.658 15.528 -19.530 27 2HG LYS 4 HG2 LYS 4 18.012 14.487 -19.138 28 1HD LYS 4 HD1 LYS 4 19.281 16.309 -18.693 29 2HD LYS 4 HD2 LYS 4 19.126 16.823 -20.361 30 1HE LYS 4 HE1 LYS 4 18.174 18.664 -19.301 31 2HE LYS 4 HE2 LYS 4 16.734 17.698 -19.551 32 1HZ LYS 4 HZ1 LYS 4 18.264 17.280 -17.119 33 2HZ LYS 4 HZ2 LYS 4 17.324 18.611 -17.224 34 3HZ LYS 4 HZ3 LYS 4 16.657 17.128 -17.370 35 HA PRO 5 HA PRO 5 15.483 11.341 -18.575 36 1HB PRO 5 HB1 PRO 5 17.564 10.332 -17.118 37 2HB PRO 5 HB2 PRO 5 16.887 9.517 -18.514 38 1HG PRO 5 HG1 PRO 5 19.431 11.006 -18.291 39 2HG PRO 5 HG2 PRO 5 18.940 9.848 -19.511 40 1HD PRO 5 HD1 PRO 5 19.017 12.702 -19.787 41 2HD PRO 5 HD2 PRO 5 18.418 11.551 -20.965 42 H ASP 6 H ASP 6 15.169 11.341 -16.180 43 HA ASP 6 HA ASP 6 16.077 13.954 -15.258 44 1HB ASP 6 HB1 ASP 6 13.454 12.515 -15.090 45 2HB ASP 6 HB2 ASP 6 13.932 13.388 -13.647 46 H ASN 7 H ASN 7 16.929 14.035 -13.087 47 HA ASN 7 HA ASN 7 18.126 11.749 -12.160 48 1HB ASN 7 HB1 ASN 7 18.328 14.416 -11.582 49 2HB ASN 7 HB2 ASN 7 17.435 13.898 -10.166 50 1HD2 ASN 7 HD2 ASN 7 18.568 13.263 -8.506 51 2HD2 ASN 7 HD2 ASN 7 20.179 12.627 -8.511 52 HA PRO 8 HA PRO 8 14.883 9.944 -9.816 53 1HB PRO 8 HB1 PRO 8 16.298 8.312 -8.142 54 2HB PRO 8 HB2 PRO 8 15.926 7.891 -9.802 55 1HG PRO 8 HG1 PRO 8 18.497 8.783 -8.648 56 2HG PRO 8 HG2 PRO 8 18.202 7.965 -10.169 57 1HD PRO 8 HD1 PRO 8 18.777 10.751 -9.802 58 2HD PRO 8 HD2 PRO 8 18.367 9.954 -11.309 59 H GLY 9 H GLY 9 13.557 10.282 -8.079 60 1HA GLY 9 HA1 GLY 9 13.633 10.697 -5.644 61 2HA GLY 9 HA2 GLY 9 14.828 11.935 -5.978 62 H GLU 10 H GLU 10 11.487 10.938 -7.014 63 HA GLU 10 HA GLU 10 10.804 13.766 -6.874 64 1HB GLU 10 HB1 GLU 10 9.452 11.995 -8.907 65 2HB GLU 10 HB2 GLU 10 9.672 13.734 -8.927 66 1HG GLU 10 HG1 GLU 10 11.391 13.324 -10.370 67 2HG GLU 10 HG2 GLU 10 12.300 12.866 -8.943 68 H ASP 11 H ASP 11 10.208 12.936 -4.620 69 HA ASP 11 HA ASP 11 8.111 11.085 -4.417 70 1HB ASP 11 HB1 ASP 11 9.500 13.034 -2.583 71 2HB ASP 11 HB2 ASP 11 7.959 12.388 -2.055 72 H ALA 12 H ALA 12 5.844 11.560 -3.823 73 HA ALA 12 HA ALA 12 4.727 13.988 -3.357 74 1HB ALA 12 HB1 ALA 12 3.788 14.364 -5.802 75 2HB ALA 12 HB2 ALA 12 5.371 15.030 -5.333 76 3HB ALA 12 HB3 ALA 12 5.284 13.526 -6.280 77 HA PRO 13 HA PRO 13 1.296 11.359 -3.267 78 1HB PRO 13 HB1 PRO 13 -0.827 13.070 -3.453 79 2HB PRO 13 HB2 PRO 13 0.076 12.822 -1.972 80 1HG PRO 13 HG1 PRO 13 0.154 15.122 -3.828 81 2HG PRO 13 HG2 PRO 13 0.704 15.033 -2.166 82 1HD PRO 13 HD1 PRO 13 2.341 14.985 -4.521 83 2HD PRO 13 HD2 PRO 13 2.879 14.779 -2.866 84 H ALA 14 H ALA 14 -0.721 10.501 -4.326 85 HA ALA 14 HA ALA 14 -1.893 10.030 -6.178 86 1HB ALA 14 HB1 ALA 14 -0.276 11.549 -8.131 87 2HB ALA 14 HB2 ALA 14 -2.034 11.555 -7.851 88 3HB ALA 14 HB3 ALA 14 -0.965 12.543 -6.826 89 H GLU 15 H GLU 15 1.657 10.483 -6.785 90 HA GLU 15 HA GLU 15 1.667 8.073 -8.333 91 1HB GLU 15 HB1 GLU 15 3.063 10.254 -8.728 92 2HB GLU 15 HB2 GLU 15 4.125 9.634 -7.479 93 1HG GLU 15 HG1 GLU 15 5.064 8.814 -9.509 94 2HG GLU 15 HG2 GLU 15 4.218 7.435 -8.837 95 H ASP 16 H ASP 16 1.663 8.800 -5.051 96 HA ASP 16 HA ASP 16 3.482 6.634 -4.413 97 1HB ASP 16 HB1 ASP 16 2.598 9.107 -3.091 98 2HB ASP 16 HB2 ASP 16 2.433 7.728 -2.023 99 H LEU 17 H LEU 17 0.102 7.651 -4.548 100 HA LEU 17 HA LEU 17 -0.956 5.838 -2.677 101 1HB LEU 17 HB1 LEU 17 -1.893 7.963 -4.044 102 2HB LEU 17 HB2 LEU 17 -2.589 6.671 -5.003 103 HG LEU 17 HG LEU 17 -4.098 7.543 -3.237 104 1HD1 LEU 17 HD1 LEU 17 -3.294 4.633 -2.977 105 2HD1 LEU 17 HD1 LEU 17 -4.811 5.339 -2.371 106 3HD1 LEU 17 HD1 LEU 17 -4.473 5.325 -4.118 107 1HD2 LEU 17 HD2 LEU 17 -1.942 7.647 -1.619 108 2HD2 LEU 17 HD2 LEU 17 -3.622 7.608 -1.033 109 3HD2 LEU 17 HD2 LEU 17 -2.661 6.111 -1.079 110 H ALA 18 H ALA 18 -0.419 5.685 -6.250 111 HA ALA 18 HA ALA 18 -1.593 3.188 -6.621 112 1HB ALA 18 HB1 ALA 18 -0.796 5.001 -8.307 113 2HB ALA 18 HB2 ALA 18 0.790 4.203 -8.187 114 3HB ALA 18 HB3 ALA 18 -0.624 3.290 -8.766 115 H ARG 19 H ARG 19 1.819 4.150 -5.877 116 HA ARG 19 HA ARG 19 2.869 1.625 -6.003 117 1HB ARG 19 HB1 ARG 19 3.704 3.887 -4.117 118 2HB ARG 19 HB2 ARG 19 4.718 2.544 -4.606 119 1HG ARG 19 HG1 ARG 19 3.511 4.051 -6.874 120 2HG ARG 19 HG2 ARG 19 4.613 4.995 -5.891 121 1HD ARG 19 HD1 ARG 19 5.683 2.304 -6.444 122 2HD ARG 19 HD2 ARG 19 5.329 3.176 -7.922 123 HE ARG 19 HE ARG 19 6.731 4.847 -5.991 124 1HH1 ARG 19 HH1 ARG 19 9.801 4.580 -7.628 125 2HH1 ARG 19 HH1 ARG 19 8.893 5.441 -6.431 126 1HH2 ARG 19 HH2 ARG 19 8.821 2.823 -8.786 127 2HH2 ARG 19 HH2 ARG 19 7.181 2.373 -8.452 128 H TYR 20 H TYR 20 0.774 3.128 -3.621 129 HA TYR 20 HA TYR 20 1.459 1.181 -1.572 130 1HB TYR 20 HB1 TYR 20 1.024 3.366 -0.695 131 2HB TYR 20 HB2 TYR 20 -0.145 3.733 -1.947 132 HD1 TYR 20 HD1 TYR 20 -2.429 3.672 -1.451 133 HD2 TYR 20 HD2 TYR 20 0.305 1.548 1.063 134 HE1 TYR 20 HE1 TYR 20 -4.318 3.141 0.167 135 HE2 TYR 20 HE2 TYR 20 -1.593 1.024 2.672 136 HH TYR 20 HH TYR 20 -4.886 2.200 2.019 137 H TYR 21 H TYR 21 -0.637 1.477 -4.285 138 HA TYR 21 HA TYR 21 -2.643 -0.271 -3.067 139 1HB TYR 21 HB1 TYR 21 -2.432 1.840 -5.129 140 2HB TYR 21 HB2 TYR 21 -3.160 0.404 -5.821 141 HD1 TYR 21 HD1 TYR 21 -5.471 0.257 -5.753 142 HD2 TYR 21 HD2 TYR 21 -3.459 2.473 -2.696 143 HE1 TYR 21 HE1 TYR 21 -7.711 0.914 -4.746 144 HE2 TYR 21 HE2 TYR 21 -5.706 3.123 -1.699 145 HH TYR 21 HH TYR 21 -8.005 2.172 -1.675 146 H SER 22 H SER 22 -0.008 -0.153 -5.445 147 HA SER 22 HA SER 22 -0.818 -2.558 -6.712 148 1HB SER 22 HB1 SER 22 0.929 -0.463 -7.314 149 2HB SER 22 HB2 SER 22 2.023 -1.793 -6.988 150 HG SER 22 HG SER 22 1.482 -2.684 -8.853 151 H ALA 23 H ALA 23 1.369 -1.568 -4.060 152 HA ALA 23 HA ALA 23 2.574 -4.169 -3.865 153 1HB ALA 23 HB1 ALA 23 3.082 -2.718 -1.519 154 2HB ALA 23 HB2 ALA 23 4.123 -2.807 -2.960 155 3HB ALA 23 HB3 ALA 23 2.951 -1.478 -2.789 156 H LEU 24 H LEU 24 -0.240 -2.448 -2.604 157 HA LEU 24 HA LEU 24 -0.607 -4.004 -0.292 158 1HB LEU 24 HB1 LEU 24 -2.014 -2.338 0.004 159 2HB LEU 24 HB2 LEU 24 -1.907 -1.870 -1.681 160 HG LEU 24 HG LEU 24 -4.211 -2.240 -1.088 161 1HD1 LEU 24 HD1 LEU 24 -2.867 -3.619 -3.193 162 2HD1 LEU 24 HD1 LEU 24 -4.207 -4.639 -2.618 163 3HD1 LEU 24 HD1 LEU 24 -4.525 -2.972 -3.155 164 1HD2 LEU 24 HD2 LEU 24 -4.360 -5.053 -0.676 165 2HD2 LEU 24 HD2 LEU 24 -3.167 -4.391 0.466 166 3HD2 LEU 24 HD2 LEU 24 -4.822 -3.736 0.428 167 H ARG 25 H ARG 25 -0.808 -4.756 -3.644 168 HA ARG 25 HA ARG 25 -2.853 -6.708 -3.320 169 1HB ARG 25 HB1 ARG 25 -1.220 -5.587 -5.542 170 2HB ARG 25 HB2 ARG 25 -1.585 -7.290 -5.733 171 1HG ARG 25 HG1 ARG 25 -4.049 -6.645 -5.169 172 2HG ARG 25 HG2 ARG 25 -3.550 -4.986 -5.431 173 1HD ARG 25 HD1 ARG 25 -2.931 -5.436 -7.736 174 2HD ARG 25 HD2 ARG 25 -3.056 -7.169 -7.504 175 HE ARG 25 HE ARG 25 -5.231 -5.373 -8.110 176 1HH1 ARG 25 HH1 ARG 25 -7.760 -7.664 -7.379 177 2HH1 ARG 25 HH1 ARG 25 -7.373 -6.166 -8.159 178 1HH2 ARG 25 HH2 ARG 25 -6.102 -8.864 -6.285 179 2HH2 ARG 25 HH2 ARG 25 -4.478 -8.263 -6.248 180 H HIS 26 H HIS 26 0.647 -6.848 -4.345 181 HA HIS 26 HA HIS 26 0.903 -9.578 -4.099 182 1HB HIS 26 HB1 HIS 26 2.492 -7.483 -4.892 183 2HB HIS 26 HB2 HIS 26 3.303 -8.000 -3.427 184 HD1 HIS 26 HD1 HIS 26 4.079 -8.404 -6.638 185 HD2 HIS 26 HD2 HIS 26 2.910 -11.288 -3.825 186 HE1 HIS 26 HE1 HIS 26 4.972 -10.637 -7.490 187 H TYR 27 H TYR 27 0.644 -7.091 -1.653 188 HA TYR 27 HA TYR 27 1.889 -8.688 0.400 189 1HB TYR 27 HB1 TYR 27 2.079 -6.311 0.675 190 2HB TYR 27 HB2 TYR 27 0.484 -6.018 0.011 191 HD1 TYR 27 HD1 TYR 27 -0.589 -4.727 1.649 192 HD2 TYR 27 HD2 TYR 27 1.453 -8.302 2.812 193 HE1 TYR 27 HE1 TYR 27 -1.522 -4.502 4.004 194 HE2 TYR 27 HE2 TYR 27 0.513 -8.065 5.163 195 HH TYR 27 HH TYR 27 -0.689 -6.887 6.507 196 H ILE 28 H ILE 28 -1.435 -7.702 -0.616 197 HA ILE 28 HA ILE 28 -2.593 -9.191 1.560 198 HB ILE 28 HB ILE 28 -3.692 -7.563 -0.720 199 1HG1 ILE 28 1HG1 ILE 28 -2.757 -6.253 1.070 200 2HG1 ILE 28 2HG1 ILE 28 -4.504 -6.126 1.119 201 1HG2 ILE 28 1HG2 ILE 28 -5.886 -7.967 0.753 202 2HG2 ILE 28 2HG2 ILE 28 -5.447 -8.997 -0.630 203 3HG2 ILE 28 3HG2 ILE 28 -5.079 -9.530 1.028 204 1HD1 ILE 28 1HD1 ILE 28 -2.651 -7.281 3.106 205 2HD1 ILE 28 2HD1 ILE 28 -4.312 -6.678 3.320 206 3HD1 ILE 28 3HD1 ILE 28 -4.036 -8.339 2.743 207 H ASN 29 H ASN 29 -1.200 -9.955 -1.426 208 HA ASN 29 HA ASN 29 -2.982 -11.726 -2.511 209 1HB ASN 29 HB1 ASN 29 -0.569 -10.870 -3.276 210 2HB ASN 29 HB2 ASN 29 -0.003 -12.322 -2.476 211 1HD2 ASN 29 HD2 ASN 29 -0.579 -11.186 -5.363 212 2HD2 ASN 29 HD2 ASN 29 -1.204 -12.558 -6.215 213 H LEU 30 H LEU 30 -1.215 -11.821 0.478 214 HA LEU 30 HA LEU 30 -1.238 -14.723 0.628 215 1HB LEU 30 HB1 LEU 30 0.667 -14.236 1.646 216 2HB LEU 30 HB2 LEU 30 0.239 -12.550 1.853 217 HG LEU 30 HG LEU 30 -1.152 -13.243 3.853 218 1HD1 LEU 30 HD1 LEU 30 0.397 -15.729 4.187 219 2HD1 LEU 30 HD1 LEU 30 -1.297 -15.358 4.589 220 3HD1 LEU 30 HD1 LEU 30 -0.851 -15.782 2.919 221 1HD2 LEU 30 HD2 LEU 30 1.453 -12.516 3.667 222 2HD2 LEU 30 HD2 LEU 30 0.584 -12.762 5.201 223 3HD2 LEU 30 HD2 LEU 30 1.604 -14.062 4.537 224 H ALA 31 H ALA 31 -3.247 -12.006 1.322 225 HA ALA 31 HA ALA 31 -4.606 -13.356 3.505 226 1HB ALA 31 HB1 ALA 31 -5.893 -10.950 2.513 227 2HB ALA 31 HB2 ALA 31 -5.141 -11.255 4.097 228 3HB ALA 31 HB3 ALA 31 -4.149 -10.673 2.739 229 1HN AIB 32 1HN AIB 32 -4.742 -15.012 1.366 230 1HB1 AIB 32 1HB1 AIB 32 -6.788 -17.187 -0.581 231 2HB1 AIB 32 2HB1 AIB 32 -5.325 -17.007 0.423 232 3HB1 AIB 32 3HB1 AIB 32 -5.384 -16.262 -1.185 233 1HB2 AIB 32 1HB2 AIB 32 -7.368 -14.743 -1.694 234 2HB2 AIB 32 2HB2 AIB 32 -6.324 -13.483 -1.018 235 3HB2 AIB 32 3HB2 AIB 32 -7.985 -13.683 -0.397 236 H ARG 33 H ARG 33 -6.605 -16.165 2.798 237 HA ARG 33 HA ARG 33 -8.978 -17.401 2.891 238 1HB ARG 33 HB1 ARG 33 -7.915 -17.760 4.895 239 2HB ARG 33 HB2 ARG 33 -7.122 -16.198 4.857 240 1HG ARG 33 HG1 ARG 33 -8.689 -16.345 6.772 241 2HG ARG 33 HG2 ARG 33 -9.183 -15.087 5.657 242 1HD ARG 33 HD1 ARG 33 -10.492 -17.363 4.660 243 2HD ARG 33 HD2 ARG 33 -10.578 -17.586 6.396 244 HE ARG 33 HE ARG 33 -11.907 -15.490 4.835 245 1HH1 ARG 33 HH1 ARG 33 -13.337 -14.041 7.669 246 2HH1 ARG 33 HH1 ARG 33 -13.345 -14.098 5.938 247 1HH2 ARG 33 HH2 ARG 33 -11.867 -15.378 8.868 248 2HH2 ARG 33 HH2 ARG 33 -10.778 -16.433 8.031 249 H GLN 34 H GLN 34 -8.290 -13.905 3.539 250 HA GLN 34 HA GLN 34 -11.006 -13.363 4.140 251 1HB GLN 34 HB1 GLN 34 -8.999 -12.093 5.046 252 2HB GLN 34 HB2 GLN 34 -8.782 -11.394 3.454 253 1HG GLN 34 HG1 GLN 34 -10.086 -9.760 4.542 254 2HG GLN 34 HG2 GLN 34 -11.294 -10.667 3.652 255 1HE2 GLN 34 1HE2 GLN 34 -12.519 -12.290 4.739 256 2HE2 GLN 34 2HE2 GLN 34 -12.832 -12.190 6.439 257 H ARG 35 H ARG 35 -12.469 -11.998 2.865 258 HA ARG 35 HA ARG 35 -13.348 -11.172 1.052 259 1HB ARG 35 HB1 ARG 35 -10.598 -10.966 0.399 260 2HB ARG 35 HB2 ARG 35 -11.312 -11.762 -0.990 261 1HG ARG 35 HG1 ARG 35 -11.514 -9.429 -1.459 262 2HG ARG 35 HG2 ARG 35 -13.120 -9.923 -0.961 263 1HD ARG 35 HD1 ARG 35 -12.509 -9.168 1.417 264 2HD ARG 35 HD2 ARG 35 -11.038 -8.487 0.750 265 HE ARG 35 HE ARG 35 -12.292 -6.761 -0.247 266 1HH1 ARG 35 HH1 ARG 35 -15.736 -6.199 -0.186 267 2HH1 ARG 35 HH1 ARG 35 -14.187 -5.527 -0.574 268 1HH2 ARG 35 HH2 ARG 35 -15.885 -8.352 0.667 269 2HH2 ARG 35 HH2 ARG 35 -14.449 -9.287 0.915 270 H TYR 36 H TYR 36 -13.315 -14.049 1.896 271 HA TYR 36 HA TYR 36 -14.031 -16.032 1.210 272 1HB TYR 36 HB1 TYR 36 -16.040 -15.227 0.300 273 2HB TYR 36 HB2 TYR 36 -15.223 -13.927 -0.544 274 HD1 TYR 36 HD1 TYR 36 -15.499 -13.941 -2.838 275 HD2 TYR 36 HD2 TYR 36 -15.310 -17.682 -0.772 276 HE1 TYR 36 HE1 TYR 36 -15.811 -15.179 -5.037 277 HE2 TYR 36 HE2 TYR 36 -15.622 -18.908 -2.978 278 HH TYR 36 HH TYR 36 -16.200 -17.110 -5.972 279 1HN NH2 37 HN1 NH2 237 -12.411 -17.353 0.748 280 2HN NH2 37 HN2 NH2 237 -11.590 -17.478 -0.772 Start of MODEL 17 1 H TYR 1 H TYR 1 13.409 -3.080 -9.527 2 HA TYR 1 HA TYR 1 14.213 -2.464 -6.834 3 1HB TYR 1 HB1 TYR 1 15.946 -4.037 -7.025 4 2HB TYR 1 HB2 TYR 1 15.708 -4.197 -8.753 5 HD1 TYR 1 HD1 TYR 1 17.271 -3.286 -10.245 6 HD2 TYR 1 HD2 TYR 1 17.180 -1.888 -6.203 7 HE1 TYR 1 HE1 TYR 1 19.389 -1.941 -10.655 8 HE2 TYR 1 HE2 TYR 1 19.298 -0.548 -6.626 9 HH TYR 1 HH TYR 1 20.988 -0.779 -9.727 10 HA PRO 2 HA PRO 2 14.340 1.171 -9.353 11 1HB PRO 2 HB1 PRO 2 13.774 2.948 -7.355 12 2HB PRO 2 HB2 PRO 2 12.538 2.161 -8.316 13 1HG PRO 2 HG1 PRO 2 13.354 1.604 -5.530 14 2HG PRO 2 HG2 PRO 2 11.878 1.144 -6.354 15 1HD PRO 2 HD1 PRO 2 14.119 -0.550 -5.775 16 2HD PRO 2 HD2 PRO 2 12.693 -0.978 -6.700 17 H SER 3 H SER 3 15.423 3.487 -8.943 18 HA SER 3 HA SER 3 18.063 2.716 -7.982 19 1HB SER 3 HB1 SER 3 17.095 4.449 -10.228 20 2HB SER 3 HB2 SER 3 18.547 4.984 -9.406 21 HG SER 3 HG SER 3 18.144 2.766 -11.090 22 H LYS 4 H LYS 4 18.640 3.592 -6.030 23 HA LYS 4 HA LYS 4 18.831 5.013 -4.350 24 1HB LYS 4 HB1 LYS 4 19.561 6.888 -5.342 25 2HB LYS 4 HB2 LYS 4 18.388 6.786 -6.639 26 1HG LYS 4 HG1 LYS 4 16.720 7.934 -5.408 27 2HG LYS 4 HG2 LYS 4 17.453 7.554 -3.862 28 1HD LYS 4 HD1 LYS 4 18.152 9.753 -4.035 29 2HD LYS 4 HD2 LYS 4 19.493 8.992 -4.868 30 1HE LYS 4 HE1 LYS 4 18.864 9.816 -6.927 31 2HE LYS 4 HE2 LYS 4 17.155 9.587 -6.615 32 1HZ LYS 4 HZ1 LYS 4 17.670 11.896 -6.695 33 2HZ LYS 4 HZ2 LYS 4 17.253 11.525 -5.160 34 3HZ LYS 4 HZ3 LYS 4 18.823 11.757 -5.546 35 HA PRO 5 HA PRO 5 14.602 4.369 -3.154 36 1HB PRO 5 HB1 PRO 5 15.142 3.216 -0.736 37 2HB PRO 5 HB2 PRO 5 14.954 2.296 -2.215 38 1HG PRO 5 HG1 PRO 5 17.433 2.961 -0.749 39 2HG PRO 5 HG2 PRO 5 17.172 1.719 -1.958 40 1HD PRO 5 HD1 PRO 5 18.493 4.236 -2.342 41 2HD PRO 5 HD2 PRO 5 18.129 3.045 -3.574 42 H ASP 6 H ASP 6 13.572 6.225 -2.771 43 HA ASP 6 HA ASP 6 14.577 7.615 -0.412 44 1HB ASP 6 HB1 ASP 6 13.907 9.728 -1.457 45 2HB ASP 6 HB2 ASP 6 14.990 8.867 -2.533 46 H ASN 7 H ASN 7 12.882 8.603 0.951 47 HA ASN 7 HA ASN 7 10.754 7.160 1.502 48 1HB ASN 7 HB1 ASN 7 11.513 9.987 1.890 49 2HB ASN 7 HB2 ASN 7 9.772 9.795 1.854 50 1HD2 ASN 7 HD2 ASN 7 8.742 9.047 3.572 51 2HD2 ASN 7 HD2 ASN 7 9.468 8.386 4.999 52 HA PRO 8 HA PRO 8 8.449 7.876 -2.276 53 1HB PRO 8 HB1 PRO 8 6.977 5.575 -2.198 54 2HB PRO 8 HB2 PRO 8 8.547 5.683 -2.969 55 1HG PRO 8 HG1 PRO 8 7.833 4.439 -0.384 56 2HG PRO 8 HG2 PRO 8 9.268 4.196 -1.360 57 1HD PRO 8 HD1 PRO 8 9.065 5.762 1.035 58 2HD PRO 8 HD2 PRO 8 10.469 5.612 -0.004 59 H GLY 9 H GLY 9 7.799 9.585 -0.450 60 1HA GLY 9 HA1 GLY 9 4.887 9.403 -0.463 61 2HA GLY 9 HA2 GLY 9 5.663 9.462 1.108 62 H GLU 10 H GLU 10 7.870 11.178 0.592 63 HA GLU 10 HA GLU 10 6.412 13.651 0.347 64 1HB GLU 10 HB1 GLU 10 9.357 13.517 0.988 65 2HB GLU 10 HB2 GLU 10 8.150 14.645 1.573 66 1HG GLU 10 HG1 GLU 10 7.094 12.380 2.616 67 2HG GLU 10 HG2 GLU 10 8.764 11.856 2.522 68 H ASP 11 H ASP 11 6.308 12.729 -2.113 69 HA ASP 11 HA ASP 11 8.436 14.179 -3.463 70 1HB ASP 11 HB1 ASP 11 8.112 12.403 -5.345 71 2HB ASP 11 HB2 ASP 11 9.071 11.957 -3.947 72 H ALA 12 H ALA 12 5.265 12.422 -3.897 73 HA ALA 12 HA ALA 12 3.776 14.644 -4.562 74 1HB ALA 12 HB1 ALA 12 5.386 13.529 -6.797 75 2HB ALA 12 HB2 ALA 12 3.662 13.792 -7.152 76 3HB ALA 12 HB3 ALA 12 4.673 15.147 -6.595 77 HA PRO 13 HA PRO 13 0.828 11.497 -4.243 78 1HB PRO 13 HB1 PRO 13 -1.405 12.702 -5.259 79 2HB PRO 13 HB2 PRO 13 -0.818 12.987 -3.633 80 1HG PRO 13 HG1 PRO 13 -0.634 14.743 -6.004 81 2HG PRO 13 HG2 PRO 13 -0.449 15.160 -4.312 82 1HD PRO 13 HD1 PRO 13 1.651 14.836 -6.239 83 2HD PRO 13 HD2 PRO 13 1.840 15.138 -4.524 84 H ALA 14 H ALA 14 -0.876 10.132 -5.398 85 HA ALA 14 HA ALA 14 -1.548 9.044 -7.239 86 1HB ALA 14 HB1 ALA 14 -1.395 10.036 -9.277 87 2HB ALA 14 HB2 ALA 14 -0.708 11.403 -8.367 88 3HB ALA 14 HB3 ALA 14 0.371 10.229 -9.158 89 H GLU 15 H GLU 15 2.003 9.799 -7.224 90 HA GLU 15 HA GLU 15 2.540 7.084 -7.975 91 1HB GLU 15 HB1 GLU 15 3.813 9.257 -8.718 92 2HB GLU 15 HB2 GLU 15 4.631 9.128 -7.174 93 1HG GLU 15 HG1 GLU 15 5.655 7.066 -7.730 94 2HG GLU 15 HG2 GLU 15 4.464 6.687 -8.958 95 H ASP 16 H ASP 16 1.734 8.645 -5.121 96 HA ASP 16 HA ASP 16 3.529 6.990 -3.545 97 1HB ASP 16 HB1 ASP 16 1.703 9.311 -2.760 98 2HB ASP 16 HB2 ASP 16 2.685 8.410 -1.622 99 H LEU 17 H LEU 17 0.209 7.519 -4.609 100 HA LEU 17 HA LEU 17 -0.876 5.812 -2.521 101 1HB LEU 17 HB1 LEU 17 -1.830 8.043 -3.752 102 2HB LEU 17 HB2 LEU 17 -2.611 6.789 -4.694 103 HG LEU 17 HG LEU 17 -3.955 7.666 -2.777 104 1HD1 LEU 17 HD1 LEU 17 -3.299 4.760 -3.114 105 2HD1 LEU 17 HD1 LEU 17 -4.437 5.268 -1.843 106 3HD1 LEU 17 HD1 LEU 17 -4.774 5.658 -3.547 107 1HD2 LEU 17 HD2 LEU 17 -3.146 7.815 -0.717 108 2HD2 LEU 17 HD2 LEU 17 -2.736 6.084 -0.700 109 3HD2 LEU 17 HD2 LEU 17 -1.570 7.268 -1.337 110 H ALA 18 H ALA 18 -0.168 5.882 -6.035 111 HA ALA 18 HA ALA 18 -1.486 3.487 -6.657 112 1HB ALA 18 HB1 ALA 18 0.946 4.758 -7.976 113 2HB ALA 18 HB2 ALA 18 -0.189 3.606 -8.721 114 3HB ALA 18 HB3 ALA 18 -0.741 5.239 -8.276 115 H ARG 19 H ARG 19 1.945 4.234 -5.756 116 HA ARG 19 HA ARG 19 2.873 1.672 -6.020 117 1HB ARG 19 HB1 ARG 19 4.768 2.406 -4.663 118 2HB ARG 19 HB2 ARG 19 4.262 3.757 -5.658 119 1HG ARG 19 HG1 ARG 19 4.006 5.004 -3.784 120 2HG ARG 19 HG2 ARG 19 2.699 3.948 -3.288 121 1HD ARG 19 HD1 ARG 19 5.525 3.004 -2.801 122 2HD ARG 19 HD2 ARG 19 4.903 4.279 -1.773 123 HE ARG 19 HE ARG 19 2.863 2.387 -1.779 124 1HH1 ARG 19 HH1 ARG 19 4.053 0.123 0.595 125 2HH1 ARG 19 HH1 ARG 19 2.655 0.708 -0.243 126 1HH2 ARG 19 HH2 ARG 19 6.137 1.046 0.160 127 2HH2 ARG 19 HH2 ARG 19 6.295 2.319 -1.004 128 H TYR 20 H TYR 20 0.757 3.100 -3.626 129 HA TYR 20 HA TYR 20 1.300 0.998 -1.684 130 1HB TYR 20 HB1 TYR 20 0.967 3.140 -0.667 131 2HB TYR 20 HB2 TYR 20 -0.148 3.658 -1.916 132 HD1 TYR 20 HD1 TYR 20 -2.465 3.612 -1.532 133 HD2 TYR 20 HD2 TYR 20 0.123 1.335 1.001 134 HE1 TYR 20 HE1 TYR 20 -4.421 3.084 0.004 135 HE2 TYR 20 HE2 TYR 20 -1.841 0.815 2.529 136 HH TYR 20 HH TYR 20 -4.627 0.751 1.919 137 H TYR 21 H TYR 21 -0.691 1.578 -4.422 138 HA TYR 21 HA TYR 21 -2.838 -0.107 -3.368 139 1HB TYR 21 HB1 TYR 21 -2.426 2.092 -5.304 140 2HB TYR 21 HB2 TYR 21 -3.215 0.742 -6.096 141 HD1 TYR 21 HD1 TYR 21 -5.502 1.034 -6.271 142 HD2 TYR 21 HD2 TYR 21 -3.529 2.362 -2.715 143 HE1 TYR 21 HE1 TYR 21 -7.732 1.776 -5.301 144 HE2 TYR 21 HE2 TYR 21 -5.765 3.100 -1.757 145 HH TYR 21 HH TYR 21 -8.654 2.084 -2.941 146 H SER 22 H SER 22 -0.115 -0.032 -5.644 147 HA SER 22 HA SER 22 -1.033 -2.347 -7.026 148 1HB SER 22 HB1 SER 22 0.341 -0.574 -8.125 149 2HB SER 22 HB2 SER 22 1.681 -0.953 -7.062 150 HG SER 22 HG SER 22 1.633 -1.980 -9.291 151 H ALA 23 H ALA 23 1.131 -1.527 -4.313 152 HA ALA 23 HA ALA 23 2.272 -4.170 -4.222 153 1HB ALA 23 HB1 ALA 23 2.997 -1.610 -3.349 154 2HB ALA 23 HB2 ALA 23 2.619 -2.494 -1.851 155 3HB ALA 23 HB3 ALA 23 3.839 -3.134 -2.979 156 H LEU 24 H LEU 24 -0.535 -2.457 -3.006 157 HA LEU 24 HA LEU 24 -0.959 -3.943 -0.672 158 1HB LEU 24 HB1 LEU 24 -2.537 -2.429 -0.466 159 2HB LEU 24 HB2 LEU 24 -2.190 -1.850 -2.083 160 HG LEU 24 HG LEU 24 -4.532 -2.262 -1.936 161 1HD1 LEU 24 HD1 LEU 24 -4.498 -3.002 -4.023 162 2HD1 LEU 24 HD1 LEU 24 -2.856 -3.645 -3.782 163 3HD1 LEU 24 HD1 LEU 24 -4.272 -4.667 -3.436 164 1HD2 LEU 24 HD2 LEU 24 -5.429 -3.779 -0.592 165 2HD2 LEU 24 HD2 LEU 24 -4.692 -5.097 -1.534 166 3HD2 LEU 24 HD2 LEU 24 -3.796 -4.358 -0.185 167 H ARG 25 H ARG 25 -0.960 -4.870 -3.974 168 HA ARG 25 HA ARG 25 -2.972 -6.860 -3.662 169 1HB ARG 25 HB1 ARG 25 -2.216 -5.587 -5.846 170 2HB ARG 25 HB2 ARG 25 -0.923 -6.767 -5.910 171 1HG ARG 25 HG1 ARG 25 -2.469 -7.979 -7.109 172 2HG ARG 25 HG2 ARG 25 -3.003 -8.469 -5.514 173 1HD ARG 25 HD1 ARG 25 -5.012 -7.445 -5.801 174 2HD ARG 25 HD2 ARG 25 -4.238 -5.921 -6.185 175 HE ARG 25 HE ARG 25 -5.296 -7.861 -8.091 176 1HH1 ARG 25 HH1 ARG 25 -4.145 -6.092 -10.870 177 2HH1 ARG 25 HH1 ARG 25 -5.189 -7.359 -10.318 178 1HH2 ARG 25 HH2 ARG 25 -2.856 -4.905 -9.348 179 2HH2 ARG 25 HH2 ARG 25 -2.937 -5.286 -7.660 180 H HIS 26 H HIS 26 0.603 -6.893 -4.392 181 HA HIS 26 HA HIS 26 0.900 -9.627 -3.998 182 1HB HIS 26 HB1 HIS 26 2.459 -7.601 -4.931 183 2HB HIS 26 HB2 HIS 26 3.212 -7.881 -3.373 184 HD1 HIS 26 HD1 HIS 26 4.220 -10.320 -2.947 185 HD2 HIS 26 HD2 HIS 26 2.952 -9.544 -6.870 186 HE1 HIS 26 HE1 HIS 26 5.251 -12.142 -4.406 187 H TYR 27 H TYR 27 0.467 -6.983 -1.755 188 HA TYR 27 HA TYR 27 1.694 -8.359 0.457 189 1HB TYR 27 HB1 TYR 27 1.742 -5.977 0.617 190 2HB TYR 27 HB2 TYR 27 0.209 -5.801 -0.212 191 HD1 TYR 27 HD1 TYR 27 1.318 -7.510 2.951 192 HD2 TYR 27 HD2 TYR 27 -1.395 -4.771 1.096 193 HE1 TYR 27 HE1 TYR 27 0.148 -7.149 5.179 194 HE2 TYR 27 HE2 TYR 27 -2.556 -4.419 3.330 195 HH TYR 27 HH TYR 27 -2.653 -6.197 5.608 196 H ILE 28 H ILE 28 -1.627 -7.679 -0.782 197 HA ILE 28 HA ILE 28 -2.833 -8.981 1.469 198 HB ILE 28 HB ILE 28 -3.858 -7.804 -1.104 199 1HG1 ILE 28 1HG1 ILE 28 -3.122 -6.240 0.648 200 2HG1 ILE 28 2HG1 ILE 28 -4.843 -6.131 0.337 201 1HG2 ILE 28 1HG2 ILE 28 -6.112 -8.207 0.356 202 2HG2 ILE 28 2HG2 ILE 28 -5.554 -9.271 -0.958 203 3HG2 ILE 28 3HG2 ILE 28 -5.195 -9.685 0.736 204 1HD1 ILE 28 1HD1 ILE 28 -4.950 -7.964 2.310 205 2HD1 ILE 28 2HD1 ILE 28 -3.408 -7.193 2.754 206 3HD1 ILE 28 3HD1 ILE 28 -4.894 -6.218 2.653 207 H ASN 29 H ASN 29 -1.340 -9.948 -1.496 208 HA ASN 29 HA ASN 29 -2.859 -12.065 -2.263 209 1HB ASN 29 HB1 ASN 29 -0.479 -11.023 -3.075 210 2HB ASN 29 HB2 ASN 29 0.138 -12.420 -2.216 211 1HD2 ASN 29 HD2 ASN 29 0.889 -13.220 -4.211 212 2HD2 ASN 29 HD2 ASN 29 -0.158 -14.023 -5.332 213 H LEU 30 H LEU 30 -0.976 -11.561 0.645 214 HA LEU 30 HA LEU 30 -0.734 -14.399 1.199 215 1HB LEU 30 HB1 LEU 30 0.158 -11.940 2.710 216 2HB LEU 30 HB2 LEU 30 0.418 -13.587 3.250 217 HG LEU 30 HG LEU 30 1.754 -12.058 1.068 218 1HD1 LEU 30 HD1 LEU 30 2.487 -13.085 3.552 219 2HD1 LEU 30 HD1 LEU 30 3.255 -14.175 2.373 220 3HD1 LEU 30 HD1 LEU 30 3.568 -12.424 2.301 221 1HD2 LEU 30 HD2 LEU 30 2.489 -14.054 -0.097 222 2HD2 LEU 30 HD2 LEU 30 1.504 -15.077 0.976 223 3HD2 LEU 30 HD2 LEU 30 0.713 -13.937 -0.140 224 H ALA 31 H ALA 31 -3.348 -12.680 0.986 225 HA ALA 31 HA ALA 31 -4.345 -13.071 3.697 226 1HB ALA 31 HB1 ALA 31 -6.132 -11.649 3.052 227 2HB ALA 31 HB2 ALA 31 -4.692 -10.948 2.275 228 3HB ALA 31 HB3 ALA 31 -5.834 -11.921 1.318 229 1HN AIB 32 1HN AIB 32 -3.647 -15.229 1.558 230 1HB1 AIB 32 1HB1 AIB 32 -4.632 -18.316 0.089 231 2HB1 AIB 32 2HB1 AIB 32 -3.660 -18.149 1.576 232 3HB1 AIB 32 3HB1 AIB 32 -3.386 -17.043 0.218 233 1HB2 AIB 32 1HB2 AIB 32 -6.597 -17.269 -0.299 234 2HB2 AIB 32 2HB2 AIB 32 -6.112 -15.568 -0.397 235 3HB2 AIB 32 3HB2 AIB 32 -7.300 -16.081 0.832 236 H ARG 33 H ARG 33 -4.681 -16.156 3.876 237 HA ARG 33 HA ARG 33 -6.664 -18.131 4.683 238 1HB ARG 33 HB1 ARG 33 -3.848 -17.795 5.414 239 2HB ARG 33 HB2 ARG 33 -4.855 -17.698 6.845 240 1HG ARG 33 HG1 ARG 33 -5.495 -19.907 6.718 241 2HG ARG 33 HG2 ARG 33 -5.607 -19.886 4.969 242 1HD ARG 33 HD1 ARG 33 -2.844 -19.544 5.510 243 2HD ARG 33 HD2 ARG 33 -3.375 -20.747 6.668 244 HE ARG 33 HE ARG 33 -4.323 -21.196 3.914 245 1HH1 ARG 33 HH1 ARG 33 -2.303 -24.017 3.541 246 2HH1 ARG 33 HH1 ARG 33 -3.606 -23.096 2.867 247 1HH2 ARG 33 HH2 ARG 33 -1.286 -23.321 5.508 248 2HH2 ARG 33 HH2 ARG 33 -1.830 -21.880 6.301 249 H GLN 34 H GLN 34 -5.085 -14.964 5.320 250 HA GLN 34 HA GLN 34 -6.460 -14.317 7.615 251 1HB GLN 34 HB1 GLN 34 -4.584 -13.092 5.917 252 2HB GLN 34 HB2 GLN 34 -5.961 -12.010 5.862 253 1HG GLN 34 HG1 GLN 34 -4.703 -13.049 8.445 254 2HG GLN 34 HG2 GLN 34 -4.329 -11.494 7.727 255 1HE2 GLN 34 1HE2 GLN 34 -5.192 -11.373 10.181 256 2HE2 GLN 34 2HE2 GLN 34 -6.832 -10.835 10.317 257 H ARG 35 H ARG 35 -7.283 -13.805 4.135 258 HA ARG 35 HA ARG 35 -9.793 -12.656 4.955 259 1HB ARG 35 HB1 ARG 35 -8.133 -12.682 2.488 260 2HB ARG 35 HB2 ARG 35 -9.850 -12.832 2.169 261 1HG ARG 35 HG1 ARG 35 -9.673 -10.514 2.233 262 2HG ARG 35 HG2 ARG 35 -10.043 -10.822 3.918 263 1HD ARG 35 HD1 ARG 35 -7.398 -11.026 4.170 264 2HD ARG 35 HD2 ARG 35 -7.372 -10.130 2.664 265 HE ARG 35 HE ARG 35 -8.159 -9.106 5.288 266 1HH1 ARG 35 HH1 ARG 35 -9.019 -5.967 4.030 267 2HH1 ARG 35 HH1 ARG 35 -8.694 -6.891 5.459 268 1HH2 ARG 35 HH2 ARG 35 -8.911 -6.978 1.944 269 2HH2 ARG 35 HH2 ARG 35 -8.506 -8.657 1.816 270 H TYR 36 H TYR 36 -9.201 -15.510 5.510 271 HA TYR 36 HA TYR 36 -11.360 -16.684 3.903 272 1HB TYR 36 HB1 TYR 36 -9.572 -17.937 3.040 273 2HB TYR 36 HB2 TYR 36 -8.491 -17.407 4.313 274 HD1 TYR 36 HD1 TYR 36 -11.208 -19.835 3.538 275 HD2 TYR 36 HD2 TYR 36 -7.965 -18.825 6.139 276 HE1 TYR 36 HE1 TYR 36 -11.364 -22.124 4.633 277 HE2 TYR 36 HE2 TYR 36 -8.132 -21.117 7.226 278 HH TYR 36 HH TYR 36 -9.245 -22.968 7.354 279 1HN NH2 37 HN1 NH2 237 -9.282 -17.033 6.785 280 2HN NH2 37 HN2 NH2 237 -10.514 -17.623 7.851 Start of MODEL 18 1 H TYR 1 H TYR 1 -4.796 24.443 -19.112 2 HA TYR 1 HA TYR 1 -3.032 22.268 -19.501 3 1HB TYR 1 HB1 TYR 1 -2.180 24.969 -20.673 4 2HB TYR 1 HB2 TYR 1 -1.410 23.416 -20.928 5 HD1 TYR 1 HD1 TYR 1 -3.189 21.592 -21.991 6 HD2 TYR 1 HD2 TYR 1 -3.287 25.838 -22.507 7 HE1 TYR 1 HE1 TYR 1 -4.496 21.307 -24.153 8 HE2 TYR 1 HE2 TYR 1 -4.594 25.538 -24.667 9 HH TYR 1 HH TYR 1 -4.663 23.086 -26.403 10 HA PRO 2 HA PRO 2 -2.227 24.651 -15.815 11 1HB PRO 2 HB1 PRO 2 -1.875 22.522 -14.138 12 2HB PRO 2 HB2 PRO 2 -3.426 23.299 -14.388 13 1HG PRO 2 HG1 PRO 2 -2.463 20.705 -15.429 14 2HG PRO 2 HG2 PRO 2 -4.108 21.296 -15.306 15 1HD PRO 2 HD1 PRO 2 -2.510 21.153 -17.683 16 2HD PRO 2 HD2 PRO 2 -4.111 21.849 -17.537 17 H SER 3 H SER 3 -0.482 21.629 -16.400 18 HA SER 3 HA SER 3 1.921 23.234 -16.473 19 1HB SER 3 HB1 SER 3 3.072 21.472 -15.008 20 2HB SER 3 HB2 SER 3 1.986 22.573 -14.184 21 HG SER 3 HG SER 3 0.911 20.118 -15.181 22 H LYS 4 H LYS 4 3.869 21.667 -17.133 23 HA LYS 4 HA LYS 4 2.842 20.090 -19.354 24 1HB LYS 4 HB1 LYS 4 5.753 20.657 -18.896 25 2HB LYS 4 HB2 LYS 4 4.881 20.443 -20.401 26 1HG LYS 4 HG1 LYS 4 4.838 22.714 -20.538 27 2HG LYS 4 HG2 LYS 4 3.600 22.659 -19.299 28 1HD LYS 4 HD1 LYS 4 5.619 22.588 -17.606 29 2HD LYS 4 HD2 LYS 4 6.577 23.151 -18.961 30 1HE LYS 4 HE1 LYS 4 4.272 24.800 -18.989 31 2HE LYS 4 HE2 LYS 4 4.677 24.640 -17.291 32 1HZ LYS 4 HZ1 LYS 4 5.819 26.433 -18.644 33 2HZ LYS 4 HZ2 LYS 4 6.751 25.539 -17.645 34 3HZ LYS 4 HZ3 LYS 4 6.757 25.242 -19.250 35 HA PRO 5 HA PRO 5 3.848 16.332 -17.489 36 1HB PRO 5 HB1 PRO 5 4.400 14.739 -19.639 37 2HB PRO 5 HB2 PRO 5 2.770 15.131 -19.131 38 1HG PRO 5 HG1 PRO 5 4.297 16.184 -21.433 39 2HG PRO 5 HG2 PRO 5 2.568 16.226 -21.151 40 1HD PRO 5 HD1 PRO 5 4.412 18.401 -20.838 41 2HD PRO 5 HD2 PRO 5 2.704 18.410 -20.445 42 H ASP 6 H ASP 6 5.470 15.693 -16.225 43 HA ASP 6 HA ASP 6 7.503 15.286 -15.591 44 1HB ASP 6 HB1 ASP 6 7.521 13.840 -17.699 45 2HB ASP 6 HB2 ASP 6 8.287 15.173 -18.540 46 H ASN 7 H ASN 7 8.745 16.941 -14.700 47 HA ASN 7 HA ASN 7 10.516 18.463 -15.966 48 1HB ASN 7 HB1 ASN 7 7.859 19.426 -16.623 49 2HB ASN 7 HB2 ASN 7 8.634 20.633 -15.615 50 1HD2 ASN 7 HD2 ASN 7 7.932 20.653 -18.458 51 2HD2 ASN 7 HD2 ASN 7 9.382 20.994 -19.342 52 HA PRO 8 HA PRO 8 9.089 20.365 -11.818 53 1HB PRO 8 HB1 PRO 8 6.719 19.577 -10.708 54 2HB PRO 8 HB2 PRO 8 6.885 21.020 -11.688 55 1HG PRO 8 HG1 PRO 8 5.677 18.419 -12.407 56 2HG PRO 8 HG2 PRO 8 5.480 19.975 -13.189 57 1HD PRO 8 HD1 PRO 8 7.097 17.788 -14.100 58 2HD PRO 8 HD2 PRO 8 6.990 19.383 -14.818 59 H GLY 9 H GLY 9 8.624 19.593 -9.377 60 1HA GLY 9 HA1 GLY 9 8.861 16.847 -8.876 61 2HA GLY 9 HA2 GLY 9 10.476 17.516 -8.986 62 H GLU 10 H GLU 10 7.273 18.564 -7.596 63 HA GLU 10 HA GLU 10 8.689 18.969 -5.089 64 1HB GLU 10 HB1 GLU 10 6.542 20.929 -5.893 65 2HB GLU 10 HB2 GLU 10 7.876 21.147 -4.778 66 1HG GLU 10 HG1 GLU 10 8.122 20.918 -7.816 67 2HG GLU 10 HG2 GLU 10 8.245 22.404 -6.894 68 H ASP 11 H ASP 11 7.729 16.879 -4.510 69 HA ASP 11 HA ASP 11 6.238 15.610 -3.581 70 1HB ASP 11 HB1 ASP 11 5.002 18.324 -3.008 71 2HB ASP 11 HB2 ASP 11 4.176 16.862 -2.508 72 H ALA 12 H ALA 12 5.201 14.318 -5.126 73 HA ALA 12 HA ALA 12 2.886 15.517 -6.481 74 1HB ALA 12 HB1 ALA 12 4.980 15.217 -7.927 75 2HB ALA 12 HB2 ALA 12 4.750 13.464 -7.718 76 3HB ALA 12 HB3 ALA 12 3.494 14.437 -8.520 77 HA PRO 13 HA PRO 13 1.545 11.898 -4.194 78 1HB PRO 13 HB1 PRO 13 -0.779 12.964 -3.229 79 2HB PRO 13 HB2 PRO 13 0.735 13.008 -2.346 80 1HG PRO 13 HG1 PRO 13 -0.632 15.195 -3.791 81 2HG PRO 13 HG2 PRO 13 0.623 15.301 -2.573 82 1HD PRO 13 HD1 PRO 13 0.945 15.638 -5.403 83 2HD PRO 13 HD2 PRO 13 2.217 15.628 -4.197 84 H ALA 14 H ALA 14 -0.764 10.765 -4.161 85 HA ALA 14 HA ALA 14 -2.518 10.046 -5.359 86 1HB ALA 14 HB1 ALA 14 -3.443 11.319 -7.030 87 2HB ALA 14 HB2 ALA 14 -2.334 12.542 -6.365 88 3HB ALA 14 HB3 ALA 14 -1.876 11.620 -7.817 89 H GLU 15 H GLU 15 0.434 10.724 -7.359 90 HA GLU 15 HA GLU 15 0.085 8.219 -8.693 91 1HB GLU 15 HB1 GLU 15 1.329 10.663 -9.311 92 2HB GLU 15 HB2 GLU 15 2.672 9.557 -9.099 93 1HG GLU 15 HG1 GLU 15 0.326 8.571 -10.708 94 2HG GLU 15 HG2 GLU 15 1.343 9.792 -11.446 95 H ASP 16 H ASP 16 1.303 9.190 -5.698 96 HA ASP 16 HA ASP 16 3.439 7.244 -5.727 97 1HB ASP 16 HB1 ASP 16 3.204 9.714 -4.526 98 2HB ASP 16 HB2 ASP 16 2.724 8.672 -3.202 99 H LEU 17 H LEU 17 0.123 7.831 -4.656 100 HA LEU 17 HA LEU 17 0.050 5.967 -2.543 101 1HB LEU 17 HB1 LEU 17 -1.568 7.931 -3.437 102 2HB LEU 17 HB2 LEU 17 -2.408 6.539 -4.091 103 HG LEU 17 HG LEU 17 -1.755 5.955 -1.371 104 1HD1 LEU 17 HD1 LEU 17 -1.512 8.363 -1.028 105 2HD1 LEU 17 HD1 LEU 17 -3.131 8.633 -1.717 106 3HD1 LEU 17 HD1 LEU 17 -2.952 7.732 -0.192 107 1HD2 LEU 17 HD2 LEU 17 -4.532 6.686 -2.145 108 2HD2 LEU 17 HD2 LEU 17 -3.749 5.370 -3.053 109 3HD2 LEU 17 HD2 LEU 17 -3.911 5.257 -1.284 110 H ALA 18 H ALA 18 0.061 5.697 -6.040 111 HA ALA 18 HA ALA 18 -1.297 3.270 -6.298 112 1HB ALA 18 HB1 ALA 18 1.041 4.187 -8.000 113 2HB ALA 18 HB2 ALA 18 -0.388 3.247 -8.493 114 3HB ALA 18 HB3 ALA 18 -0.555 4.971 -8.082 115 H ARG 19 H ARG 19 2.184 4.062 -5.709 116 HA ARG 19 HA ARG 19 3.110 1.492 -5.873 117 1HB ARG 19 HB1 ARG 19 4.078 3.811 -4.127 118 2HB ARG 19 HB2 ARG 19 5.007 2.351 -4.405 119 1HG ARG 19 HG1 ARG 19 4.092 3.408 -6.959 120 2HG ARG 19 HG2 ARG 19 4.884 4.684 -6.055 121 1HD ARG 19 HD1 ARG 19 6.235 1.989 -6.109 122 2HD ARG 19 HD2 ARG 19 6.270 2.935 -7.584 123 HE ARG 19 HE ARG 19 7.007 4.478 -5.202 124 1HH1 ARG 19 HH1 ARG 19 10.380 4.574 -6.089 125 2HH1 ARG 19 HH1 ARG 19 9.160 5.227 -5.047 126 1HH2 ARG 19 HH2 ARG 19 9.827 2.940 -7.642 127 2HH2 ARG 19 HH2 ARG 19 8.195 2.373 -7.759 128 H TYR 20 H TYR 20 1.178 3.087 -3.416 129 HA TYR 20 HA TYR 20 1.848 1.109 -1.391 130 1HB TYR 20 HB1 TYR 20 1.545 3.311 -0.501 131 2HB TYR 20 HB2 TYR 20 0.348 3.731 -1.710 132 HD1 TYR 20 HD1 TYR 20 -1.938 3.697 -1.174 133 HD2 TYR 20 HD2 TYR 20 0.829 1.601 1.327 134 HE1 TYR 20 HE1 TYR 20 -3.788 3.252 0.512 135 HE2 TYR 20 HE2 TYR 20 -1.030 1.163 3.004 136 HH TYR 20 HH TYR 20 -4.286 1.626 2.247 137 H TYR 21 H TYR 21 -0.334 1.506 -4.024 138 HA TYR 21 HA TYR 21 -2.367 -0.156 -2.731 139 1HB TYR 21 HB1 TYR 21 -2.144 1.952 -4.795 140 2HB TYR 21 HB2 TYR 21 -2.961 0.552 -5.461 141 HD1 TYR 21 HD1 TYR 21 -5.140 -0.182 -4.567 142 HD2 TYR 21 HD2 TYR 21 -3.178 3.309 -3.059 143 HE1 TYR 21 HE1 TYR 21 -7.308 0.573 -3.474 144 HE2 TYR 21 HE2 TYR 21 -5.353 4.051 -1.970 145 HH TYR 21 HH TYR 21 -7.683 2.285 -1.216 146 H SER 22 H SER 22 0.177 -0.147 -5.207 147 HA SER 22 HA SER 22 -0.788 -2.506 -6.451 148 1HB SER 22 HB1 SER 22 1.232 -0.514 -6.944 149 2HB SER 22 HB2 SER 22 2.018 -2.080 -6.969 150 HG SER 22 HG SER 22 0.881 -1.123 -9.016 151 H ALA 23 H ALA 23 1.534 -1.633 -3.874 152 HA ALA 23 HA ALA 23 2.621 -4.289 -3.731 153 1HB ALA 23 HB1 ALA 23 2.898 -2.121 -1.640 154 2HB ALA 23 HB2 ALA 23 4.064 -3.381 -2.110 155 3HB ALA 23 HB3 ALA 23 3.754 -2.005 -3.196 156 H LEU 24 H LEU 24 -0.064 -2.446 -2.371 157 HA LEU 24 HA LEU 24 -0.418 -4.004 -0.053 158 1HB LEU 24 HB1 LEU 24 -1.710 -2.259 0.315 159 2HB LEU 24 HB2 LEU 24 -1.659 -1.786 -1.372 160 HG LEU 24 HG LEU 24 -3.948 -2.037 -0.668 161 1HD1 LEU 24 HD1 LEU 24 -4.142 -4.421 -2.211 162 2HD1 LEU 24 HD1 LEU 24 -4.403 -2.736 -2.720 163 3HD1 LEU 24 HD1 LEU 24 -2.783 -3.463 -2.846 164 1HD2 LEU 24 HD2 LEU 24 -2.936 -4.307 0.773 165 2HD2 LEU 24 HD2 LEU 24 -4.511 -3.489 0.909 166 3HD2 LEU 24 HD2 LEU 24 -4.293 -4.810 -0.263 167 H ARG 25 H ARG 25 -0.790 -4.699 -3.402 168 HA ARG 25 HA ARG 25 -2.912 -6.562 -2.990 169 1HB ARG 25 HB1 ARG 25 -1.324 -5.525 -5.314 170 2HB ARG 25 HB2 ARG 25 -1.950 -7.152 -5.494 171 1HG ARG 25 HG1 ARG 25 -4.088 -5.622 -4.386 172 2HG ARG 25 HG2 ARG 25 -3.380 -4.612 -5.631 173 1HD ARG 25 HD1 ARG 25 -4.926 -5.877 -6.875 174 2HD ARG 25 HD2 ARG 25 -3.452 -6.794 -7.117 175 HE ARG 25 HE ARG 25 -4.365 -8.551 -5.866 176 1HH1 ARG 25 HH1 ARG 25 -7.305 -8.721 -3.994 177 2HH1 ARG 25 HH1 ARG 25 -5.983 -9.621 -4.658 178 1HH2 ARG 25 HH2 ARG 25 -7.434 -6.428 -4.333 179 2HH2 ARG 25 HH2 ARG 25 -6.207 -5.618 -5.249 180 H HIS 26 H HIS 26 0.541 -6.752 -4.152 181 HA HIS 26 HA HIS 26 0.711 -9.509 -4.055 182 1HB HIS 26 HB1 HIS 26 2.355 -7.372 -4.752 183 2HB HIS 26 HB2 HIS 26 3.216 -8.137 -3.432 184 HD1 HIS 26 HD1 HIS 26 4.063 -8.175 -6.530 185 HD2 HIS 26 HD2 HIS 26 2.220 -11.290 -4.409 186 HE1 HIS 26 HE1 HIS 26 4.633 -10.325 -7.779 187 H TYR 27 H TYR 27 0.608 -7.132 -1.501 188 HA TYR 27 HA TYR 27 1.904 -8.848 0.426 189 1HB TYR 27 HB1 TYR 27 2.192 -6.502 0.812 190 2HB TYR 27 HB2 TYR 27 0.599 -6.114 0.195 191 HD1 TYR 27 HD1 TYR 27 -0.485 -4.909 1.873 192 HD2 TYR 27 HD2 TYR 27 1.621 -8.484 2.915 193 HE1 TYR 27 HE1 TYR 27 -1.360 -4.740 4.253 194 HE2 TYR 27 HE2 TYR 27 0.739 -8.303 5.292 195 HH TYR 27 HH TYR 27 -0.114 -6.023 6.725 196 H ILE 28 H ILE 28 -1.428 -7.658 -0.338 197 HA ILE 28 HA ILE 28 -2.542 -9.200 1.810 198 HB ILE 28 HB ILE 28 -3.708 -7.510 -0.395 199 1HG1 ILE 28 1HG1 ILE 28 -2.554 -6.292 1.383 200 2HG1 ILE 28 2HG1 ILE 28 -4.279 -5.988 1.414 201 1HG2 ILE 28 1HG2 ILE 28 -5.275 -9.315 0.027 202 2HG2 ILE 28 2HG2 ILE 28 -5.182 -9.020 1.780 203 3HG2 ILE 28 3HG2 ILE 28 -5.892 -7.790 0.707 204 1HD1 ILE 28 1HD1 ILE 28 -2.614 -7.052 3.512 205 2HD1 ILE 28 2HD1 ILE 28 -4.353 -6.675 3.567 206 3HD1 ILE 28 3HD1 ILE 28 -3.808 -8.292 3.060 207 H ASN 29 H ASN 29 -1.364 -9.874 -1.317 208 HA ASN 29 HA ASN 29 -3.167 -11.521 -2.432 209 1HB ASN 29 HB1 ASN 29 -0.971 -11.000 -3.454 210 2HB ASN 29 HB2 ASN 29 -0.136 -11.898 -2.203 211 1HD2 ASN 29 HD2 ASN 29 -0.275 -14.149 -2.120 212 2HD2 ASN 29 HD2 ASN 29 -0.733 -15.108 -3.488 213 H LEU 30 H LEU 30 -0.917 -12.122 0.318 214 HA LEU 30 HA LEU 30 -1.142 -14.856 0.528 215 1HB LEU 30 HB1 LEU 30 0.327 -14.352 2.086 216 2HB LEU 30 HB2 LEU 30 -0.152 -12.667 2.064 217 HG LEU 30 HG LEU 30 -2.017 -13.271 3.667 218 1HD1 LEU 30 HD1 LEU 30 -2.449 -15.384 4.172 219 2HD1 LEU 30 HD1 LEU 30 -1.145 -15.907 3.078 220 3HD1 LEU 30 HD1 LEU 30 -0.796 -15.597 4.796 221 1HD2 LEU 30 HD2 LEU 30 0.801 -13.769 4.663 222 2HD2 LEU 30 HD2 LEU 30 0.094 -12.167 4.342 223 3HD2 LEU 30 HD2 LEU 30 -0.592 -13.204 5.616 224 H ALA 31 H ALA 31 -3.550 -12.378 0.985 225 HA ALA 31 HA ALA 31 -5.194 -13.959 2.728 226 1HB ALA 31 HB1 ALA 31 -5.977 -11.518 1.100 227 2HB ALA 31 HB2 ALA 31 -6.691 -12.102 2.622 228 3HB ALA 31 HB3 ALA 31 -5.053 -11.406 2.617 229 1HN AIB 32 1HN AIB 32 -7.561 -12.944 0.912 230 1HB1 AIB 32 1HB1 AIB 32 -6.234 -14.297 -1.808 231 2HB1 AIB 32 2HB1 AIB 32 -7.662 -14.873 -2.709 232 3HB1 AIB 32 3HB1 AIB 32 -6.832 -15.966 -1.588 233 1HB2 AIB 32 1HB2 AIB 32 -10.090 -13.920 -1.240 234 2HB2 AIB 32 2HB2 AIB 32 -8.838 -12.958 -2.044 235 3HB2 AIB 32 3HB2 AIB 32 -9.260 -12.617 -0.344 236 H ARG 33 H ARG 33 -7.303 -15.759 1.573 237 HA ARG 33 HA ARG 33 -9.117 -17.882 1.054 238 1HB ARG 33 HB1 ARG 33 -7.335 -18.856 2.127 239 2HB ARG 33 HB2 ARG 33 -6.834 -17.343 2.856 240 1HG ARG 33 HG1 ARG 33 -7.521 -18.977 4.591 241 2HG ARG 33 HG2 ARG 33 -8.565 -17.570 4.610 242 1HD ARG 33 HD1 ARG 33 -9.839 -19.271 2.778 243 2HD ARG 33 HD2 ARG 33 -9.225 -20.383 3.985 244 HE ARG 33 HE ARG 33 -10.415 -18.187 5.360 245 1HH1 ARG 33 HH1 ARG 33 -13.612 -19.551 5.674 246 2HH1 ARG 33 HH1 ARG 33 -12.511 -18.349 6.257 247 1HH2 ARG 33 HH2 ARG 33 -12.959 -20.999 3.981 248 2HH2 ARG 33 HH2 ARG 33 -11.370 -20.876 3.301 249 H GLN 34 H GLN 34 -8.709 -15.246 3.504 250 HA GLN 34 HA GLN 34 -10.669 -15.908 5.232 251 1HB GLN 34 HB1 GLN 34 -9.636 -13.235 4.252 252 2HB GLN 34 HB2 GLN 34 -10.928 -13.292 5.434 253 1HG GLN 34 HG1 GLN 34 -8.421 -14.941 5.874 254 2HG GLN 34 HG2 GLN 34 -8.405 -13.227 6.240 255 1HE2 GLN 34 1HE2 GLN 34 -9.965 -12.378 7.729 256 2HE2 GLN 34 2HE2 GLN 34 -10.598 -13.358 9.008 257 H ARG 35 H ARG 35 -10.982 -14.244 2.051 258 HA ARG 35 HA ARG 35 -13.834 -14.133 2.445 259 1HB ARG 35 HB1 ARG 35 -11.862 -12.887 0.539 260 2HB ARG 35 HB2 ARG 35 -13.495 -13.114 -0.055 261 1HG ARG 35 HG1 ARG 35 -14.439 -11.694 1.602 262 2HG ARG 35 HG2 ARG 35 -13.055 -11.849 2.665 263 1HD ARG 35 HD1 ARG 35 -12.312 -10.717 0.040 264 2HD ARG 35 HD2 ARG 35 -13.524 -9.749 0.856 265 HE ARG 35 HE ARG 35 -11.295 -10.570 2.587 266 1HH1 ARG 35 HH1 ARG 35 -10.010 -7.329 2.729 267 2HH1 ARG 35 HH1 ARG 35 -9.940 -8.922 3.405 268 1HH2 ARG 35 HH2 ARG 35 -11.479 -6.868 0.993 269 2HH2 ARG 35 HH2 ARG 35 -12.506 -8.118 0.372 270 H TYR 36 H TYR 36 -12.180 -16.690 2.014 271 HA TYR 36 HA TYR 36 -12.320 -18.601 0.899 272 1HB TYR 36 HB1 TYR 36 -14.632 -18.865 1.206 273 2HB TYR 36 HB2 TYR 36 -14.959 -17.210 0.732 274 HD1 TYR 36 HD1 TYR 36 -14.044 -20.533 -0.737 275 HD2 TYR 36 HD2 TYR 36 -16.006 -16.775 -1.314 276 HE1 TYR 36 HE1 TYR 36 -14.958 -21.344 -2.966 277 HE2 TYR 36 HE2 TYR 36 -16.913 -17.599 -3.541 278 HH TYR 36 HH TYR 36 -15.959 -19.505 -5.278 279 1HN NH2 37 HN1 NH2 237 -10.868 -18.819 -0.647 280 2HN NH2 37 HN2 NH2 237 -10.975 -18.200 -2.260 Start of MODEL 19 1 H TYR 1 H TYR 1 18.852 11.152 -29.171 2 HA TYR 1 HA TYR 1 16.892 9.827 -28.593 3 1HB TYR 1 HB1 TYR 1 17.652 7.913 -27.465 4 2HB TYR 1 HB2 TYR 1 19.102 8.726 -26.911 5 HD1 TYR 1 HD1 TYR 1 19.269 9.573 -24.692 6 HD2 TYR 1 HD2 TYR 1 15.485 8.249 -26.186 7 HE1 TYR 1 HE1 TYR 1 18.289 9.710 -22.350 8 HE2 TYR 1 HE2 TYR 1 14.517 8.390 -23.839 9 HH TYR 1 HH TYR 1 16.541 9.460 -21.117 10 HA PRO 2 HA PRO 2 16.487 13.614 -26.341 11 1HB PRO 2 HB1 PRO 2 13.995 14.253 -27.263 12 2HB PRO 2 HB2 PRO 2 15.470 14.737 -28.076 13 1HG PRO 2 HG1 PRO 2 13.552 12.616 -28.824 14 2HG PRO 2 HG2 PRO 2 14.771 13.392 -29.815 15 1HD PRO 2 HD1 PRO 2 14.920 10.777 -28.645 16 2HD PRO 2 HD2 PRO 2 16.184 11.600 -29.538 17 H SER 3 H SER 3 13.185 12.579 -26.622 18 HA SER 3 HA SER 3 11.721 12.307 -25.005 19 1HB SER 3 HB1 SER 3 13.808 10.167 -24.533 20 2HB SER 3 HB2 SER 3 12.408 10.250 -23.482 21 HG SER 3 HG SER 3 12.368 9.983 -26.368 22 H LYS 4 H LYS 4 12.065 14.426 -23.964 23 HA LYS 4 HA LYS 4 13.933 14.685 -21.850 24 1HB LYS 4 HB1 LYS 4 11.527 16.456 -22.143 25 2HB LYS 4 HB2 LYS 4 13.163 16.866 -21.668 26 1HG LYS 4 HG1 LYS 4 13.548 15.844 -24.229 27 2HG LYS 4 HG2 LYS 4 11.991 16.631 -24.385 28 1HD LYS 4 HD1 LYS 4 13.699 18.391 -22.871 29 2HD LYS 4 HD2 LYS 4 14.612 17.845 -24.263 30 1HE LYS 4 HE1 LYS 4 11.766 18.659 -24.774 31 2HE LYS 4 HE2 LYS 4 12.881 19.946 -24.359 32 1HZ LYS 4 HZ1 LYS 4 13.508 17.970 -26.430 33 2HZ LYS 4 HZ2 LYS 4 12.701 19.350 -26.763 34 3HZ LYS 4 HZ3 LYS 4 14.223 19.415 -26.172 35 HA PRO 5 HA PRO 5 11.429 12.530 -18.976 36 1HB PRO 5 HB1 PRO 5 13.310 12.321 -17.004 37 2HB PRO 5 HB2 PRO 5 13.164 11.167 -18.315 38 1HG PRO 5 HG1 PRO 5 15.186 13.289 -17.931 39 2HG PRO 5 HG2 PRO 5 15.255 11.882 -18.974 40 1HD PRO 5 HD1 PRO 5 14.737 14.588 -19.774 41 2HD PRO 5 HD2 PRO 5 14.693 13.165 -20.797 42 H ASP 6 H ASP 6 10.028 14.429 -18.947 43 HA ASP 6 HA ASP 6 10.755 16.343 -16.957 44 1HB ASP 6 HB1 ASP 6 9.574 17.141 -18.923 45 2HB ASP 6 HB2 ASP 6 8.312 15.940 -18.731 46 H ASN 7 H ASN 7 10.089 16.227 -14.794 47 HA ASN 7 HA ASN 7 9.203 15.450 -12.972 48 1HB ASN 7 HB1 ASN 7 6.832 15.372 -14.866 49 2HB ASN 7 HB2 ASN 7 6.635 14.733 -13.246 50 1HD2 ASN 7 HD2 ASN 7 7.310 17.547 -15.192 51 2HD2 ASN 7 HD2 ASN 7 7.034 18.759 -13.986 52 HA PRO 8 HA PRO 8 9.815 11.094 -13.931 53 1HB PRO 8 HB1 PRO 8 11.420 10.515 -11.797 54 2HB PRO 8 HB2 PRO 8 12.041 11.055 -13.344 55 1HG PRO 8 HG1 PRO 8 11.792 12.568 -10.817 56 2HG PRO 8 HG2 PRO 8 12.775 12.931 -12.222 57 1HD PRO 8 HD1 PRO 8 10.305 14.190 -11.483 58 2HD PRO 8 HD2 PRO 8 11.228 14.471 -12.946 59 H GLY 9 H GLY 9 9.467 12.086 -10.551 60 1HA GLY 9 HA1 GLY 9 7.053 11.510 -9.854 61 2HA GLY 9 HA2 GLY 9 7.556 9.872 -10.220 62 H GLU 10 H GLU 10 8.968 12.759 -8.500 63 HA GLU 10 HA GLU 10 10.056 10.920 -6.558 64 1HB GLU 10 HB1 GLU 10 10.458 13.908 -6.429 65 2HB GLU 10 HB2 GLU 10 11.559 12.626 -5.966 66 1HG GLU 10 HG1 GLU 10 11.280 12.089 -8.652 67 2HG GLU 10 HG2 GLU 10 11.072 13.829 -8.656 68 H ASP 11 H ASP 11 8.089 13.980 -6.641 69 HA ASP 11 HA ASP 11 6.761 12.977 -4.258 70 1HB ASP 11 HB1 ASP 11 8.532 14.916 -3.937 71 2HB ASP 11 HB2 ASP 11 7.304 15.936 -4.660 72 H ALA 12 H ALA 12 4.718 12.548 -5.163 73 HA ALA 12 HA ALA 12 3.062 14.660 -5.923 74 1HB ALA 12 HB1 ALA 12 2.879 14.430 -8.276 75 2HB ALA 12 HB2 ALA 12 4.631 14.462 -7.961 76 3HB ALA 12 HB3 ALA 12 3.814 12.915 -8.286 77 HA PRO 13 HA PRO 13 0.265 11.463 -5.118 78 1HB PRO 13 HB1 PRO 13 -2.041 12.394 -6.251 79 2HB PRO 13 HB2 PRO 13 -1.446 12.945 -4.698 80 1HG PRO 13 HG1 PRO 13 -1.387 14.337 -7.306 81 2HG PRO 13 HG2 PRO 13 -1.199 15.009 -5.698 82 1HD PRO 13 HD1 PRO 13 0.886 14.505 -7.602 83 2HD PRO 13 HD2 PRO 13 1.085 15.068 -5.955 84 H ALA 14 H ALA 14 -1.355 9.841 -6.008 85 HA ALA 14 HA ALA 14 -1.997 8.455 -7.648 86 1HB ALA 14 HB1 ALA 14 -1.345 10.670 -9.134 87 2HB ALA 14 HB2 ALA 14 -0.208 9.463 -9.782 88 3HB ALA 14 HB3 ALA 14 -1.958 9.142 -9.812 89 H GLU 15 H GLU 15 1.496 9.423 -7.865 90 HA GLU 15 HA GLU 15 2.193 6.665 -8.230 91 1HB GLU 15 HB1 GLU 15 3.298 8.805 -9.307 92 2HB GLU 15 HB2 GLU 15 4.180 8.909 -7.796 93 1HG GLU 15 HG1 GLU 15 4.158 6.168 -8.900 94 2HG GLU 15 HG2 GLU 15 4.875 7.326 -10.003 95 H ASP 16 H ASP 16 1.356 8.578 -5.608 96 HA ASP 16 HA ASP 16 3.299 7.298 -3.870 97 1HB ASP 16 HB1 ASP 16 1.573 9.759 -3.705 98 2HB ASP 16 HB2 ASP 16 1.931 8.940 -2.198 99 H LEU 17 H LEU 17 -0.050 7.368 -4.928 100 HA LEU 17 HA LEU 17 -0.917 5.849 -2.587 101 1HB LEU 17 HB1 LEU 17 -2.084 7.930 -3.905 102 2HB LEU 17 HB2 LEU 17 -2.862 6.564 -4.680 103 HG LEU 17 HG LEU 17 -4.158 7.451 -2.787 104 1HD1 LEU 17 HD1 LEU 17 -4.005 5.083 -1.450 105 2HD1 LEU 17 HD1 LEU 17 -4.887 5.337 -2.975 106 3HD1 LEU 17 HD1 LEU 17 -3.242 4.658 -3.002 107 1HD2 LEU 17 HD2 LEU 17 -1.960 6.452 -0.966 108 2HD2 LEU 17 HD2 LEU 17 -2.135 8.154 -1.454 109 3HD2 LEU 17 HD2 LEU 17 -3.430 7.356 -0.530 110 H ALA 18 H ALA 18 -0.402 5.687 -6.123 111 HA ALA 18 HA ALA 18 -1.646 3.196 -6.495 112 1HB ALA 18 HB1 ALA 18 -0.293 3.201 -8.609 113 2HB ALA 18 HB2 ALA 18 -1.194 4.712 -8.341 114 3HB ALA 18 HB3 ALA 18 0.555 4.649 -8.016 115 H ARG 19 H ARG 19 1.780 4.174 -5.835 116 HA ARG 19 HA ARG 19 2.837 1.654 -5.990 117 1HB ARG 19 HB1 ARG 19 4.729 2.576 -4.686 118 2HB ARG 19 HB2 ARG 19 4.178 3.756 -5.859 119 1HG ARG 19 HG1 ARG 19 4.007 5.221 -4.128 120 2HG ARG 19 HG2 ARG 19 2.587 4.324 -3.629 121 1HD ARG 19 HD1 ARG 19 4.289 2.729 -2.407 122 2HD ARG 19 HD2 ARG 19 5.440 4.034 -2.619 123 HE ARG 19 HE ARG 19 2.900 4.940 -1.485 124 1HH1 ARG 19 HH1 ARG 19 4.241 5.333 1.713 125 2HH1 ARG 19 HH1 ARG 19 2.897 5.681 0.677 126 1HH2 ARG 19 HH2 ARG 19 6.044 4.115 0.905 127 2HH2 ARG 19 HH2 ARG 19 6.045 3.554 -0.734 128 H TYR 20 H TYR 20 0.808 3.155 -3.547 129 HA TYR 20 HA TYR 20 1.551 1.210 -1.517 130 1HB TYR 20 HB1 TYR 20 1.122 3.393 -0.633 131 2HB TYR 20 HB2 TYR 20 -0.081 3.749 -1.856 132 HD1 TYR 20 HD1 TYR 20 -2.377 3.544 -1.374 133 HD2 TYR 20 HD2 TYR 20 0.486 1.699 1.215 134 HE1 TYR 20 HE1 TYR 20 -4.221 3.002 0.291 135 HE2 TYR 20 HE2 TYR 20 -1.367 1.163 2.871 136 HH TYR 20 HH TYR 20 -4.491 1.123 2.126 137 H TYR 21 H TYR 21 -0.623 1.497 -4.173 138 HA TYR 21 HA TYR 21 -2.578 -0.272 -2.905 139 1HB TYR 21 HB1 TYR 21 -2.443 1.846 -4.965 140 2HB TYR 21 HB2 TYR 21 -3.178 0.406 -5.641 141 HD1 TYR 21 HD1 TYR 21 -3.412 2.042 -2.264 142 HD2 TYR 21 HD2 TYR 21 -5.479 0.660 -5.745 143 HE1 TYR 21 HE1 TYR 21 -5.635 2.672 -1.203 144 HE2 TYR 21 HE2 TYR 21 -7.695 1.295 -4.672 145 HH TYR 21 HH TYR 21 -8.576 1.583 -2.403 146 H SER 22 H SER 22 -0.012 -0.126 -5.354 147 HA SER 22 HA SER 22 -0.836 -2.528 -6.613 148 1HB SER 22 HB1 SER 22 1.002 -0.423 -7.142 149 2HB SER 22 HB2 SER 22 1.976 -1.875 -7.024 150 HG SER 22 HG SER 22 0.983 -2.760 -8.773 151 H ALA 23 H ALA 23 1.403 -1.548 -4.002 152 HA ALA 23 HA ALA 23 2.615 -4.150 -3.848 153 1HB ALA 23 HB1 ALA 23 2.762 -1.606 -2.194 154 2HB ALA 23 HB2 ALA 23 3.645 -3.091 -1.766 155 3HB ALA 23 HB3 ALA 23 3.986 -2.265 -3.305 156 H LEU 24 H LEU 24 -0.190 -2.459 -2.554 157 HA LEU 24 HA LEU 24 -0.488 -4.045 -0.235 158 1HB LEU 24 HB1 LEU 24 -1.822 -2.332 0.142 159 2HB LEU 24 HB2 LEU 24 -1.813 -1.861 -1.546 160 HG LEU 24 HG LEU 24 -4.081 -2.203 -0.799 161 1HD1 LEU 24 HD1 LEU 24 -2.898 -3.549 -3.012 162 2HD1 LEU 24 HD1 LEU 24 -4.193 -4.584 -2.363 163 3HD1 LEU 24 HD1 LEU 24 -4.551 -2.909 -2.846 164 1HD2 LEU 24 HD2 LEU 24 -2.953 -4.458 0.591 165 2HD2 LEU 24 HD2 LEU 24 -4.544 -3.684 0.785 166 3HD2 LEU 24 HD2 LEU 24 -4.326 -4.982 -0.413 167 H ARG 25 H ARG 25 -0.810 -4.702 -3.595 168 HA ARG 25 HA ARG 25 -2.883 -6.624 -3.249 169 1HB ARG 25 HB1 ARG 25 -1.199 -5.607 -5.535 170 2HB ARG 25 HB2 ARG 25 -1.920 -7.194 -5.722 171 1HG ARG 25 HG1 ARG 25 -4.117 -5.914 -4.834 172 2HG ARG 25 HG2 ARG 25 -3.273 -4.511 -5.458 173 1HD ARG 25 HD1 ARG 25 -4.559 -5.273 -7.311 174 2HD ARG 25 HD2 ARG 25 -2.947 -5.871 -7.649 175 HE ARG 25 HE ARG 25 -4.560 -7.773 -6.120 176 1HH1 ARG 25 HH1 ARG 25 -5.060 -9.863 -8.869 177 2HH1 ARG 25 HH1 ARG 25 -5.184 -9.716 -7.148 178 1HH2 ARG 25 HH2 ARG 25 -4.260 -8.087 -10.131 179 2HH2 ARG 25 HH2 ARG 25 -3.787 -6.614 -9.352 180 H HIS 26 H HIS 26 0.603 -6.737 -4.320 181 HA HIS 26 HA HIS 26 0.823 -9.493 -4.217 182 1HB HIS 26 HB1 HIS 26 2.421 -7.364 -4.946 183 2HB HIS 26 HB2 HIS 26 3.269 -8.003 -3.552 184 HD1 HIS 26 HD1 HIS 26 5.152 -9.361 -4.484 185 HD2 HIS 26 HD2 HIS 26 1.537 -10.084 -6.485 186 HE1 HIS 26 HE1 HIS 26 5.620 -11.237 -6.150 187 H TYR 27 H TYR 27 0.678 -7.091 -1.674 188 HA TYR 27 HA TYR 27 1.949 -8.786 0.281 189 1HB TYR 27 HB1 TYR 27 2.194 -6.424 0.637 190 2HB TYR 27 HB2 TYR 27 0.587 -6.078 0.032 191 HD1 TYR 27 HD1 TYR 27 -0.506 -4.890 1.718 192 HD2 TYR 27 HD2 TYR 27 1.683 -8.419 2.748 193 HE1 TYR 27 HE1 TYR 27 -1.366 -4.736 4.105 194 HE2 TYR 27 HE2 TYR 27 0.816 -8.252 5.132 195 HH TYR 27 HH TYR 27 -1.576 -6.980 6.091 196 H ILE 28 H ILE 28 -1.381 -7.715 -0.614 197 HA ILE 28 HA ILE 28 -2.504 -9.265 1.542 198 HB ILE 28 HB ILE 28 -3.633 -7.512 -0.626 199 1HG1 ILE 28 1HG1 ILE 28 -2.613 -6.325 1.216 200 2HG1 ILE 28 2HG1 ILE 28 -4.354 -6.138 1.286 201 1HG2 ILE 28 1HG2 ILE 28 -5.404 -8.936 -0.556 202 2HG2 ILE 28 2HG2 ILE 28 -5.019 -9.524 1.079 203 3HG2 ILE 28 3HG2 ILE 28 -5.801 -7.939 0.864 204 1HD1 ILE 28 1HD1 ILE 28 -4.213 -6.834 3.443 205 2HD1 ILE 28 2HD1 ILE 28 -3.900 -8.461 2.793 206 3HD1 ILE 28 3HD1 ILE 28 -2.539 -7.397 3.222 207 H ASN 29 H ASN 29 -1.202 -9.940 -1.497 208 HA ASN 29 HA ASN 29 -3.056 -11.618 -2.615 209 1HB ASN 29 HB1 ASN 29 -0.914 -10.872 -3.703 210 2HB ASN 29 HB2 ASN 29 -0.002 -11.886 -2.603 211 1HD2 ASN 29 HD2 ASN 29 0.200 -14.017 -2.956 212 2HD2 ASN 29 HD2 ASN 29 -0.455 -14.876 -4.309 213 H LEU 30 H LEU 30 -1.234 -11.879 0.329 214 HA LEU 30 HA LEU 30 -1.378 -14.789 0.360 215 1HB LEU 30 HB1 LEU 30 0.620 -14.436 1.257 216 2HB LEU 30 HB2 LEU 30 0.289 -12.747 1.586 217 HG LEU 30 HG LEU 30 -0.983 -13.466 3.637 218 1HD1 LEU 30 HD1 LEU 30 -0.679 -16.033 2.491 219 2HD1 LEU 30 HD1 LEU 30 0.283 -16.018 3.988 220 3HD1 LEU 30 HD1 LEU 30 -1.446 -15.597 4.037 221 1HD2 LEU 30 HD2 LEU 30 1.680 -14.554 4.178 222 2HD2 LEU 30 HD2 LEU 30 1.710 -13.032 3.256 223 3HD2 LEU 30 HD2 LEU 30 0.872 -13.106 4.824 224 H ALA 31 H ALA 31 -3.151 -11.974 1.302 225 HA ALA 31 HA ALA 31 -4.739 -13.641 3.134 226 1HB ALA 31 HB1 ALA 31 -5.333 -11.075 3.862 227 2HB ALA 31 HB2 ALA 31 -4.074 -12.066 4.639 228 3HB ALA 31 HB3 ALA 31 -3.631 -10.895 3.373 229 1HN AIB 32 1HN AIB 32 -5.370 -14.013 0.571 230 1HB1 AIB 32 1HB1 AIB 32 -6.125 -14.342 -1.717 231 2HB1 AIB 32 2HB1 AIB 32 -7.856 -14.086 -2.059 232 3HB1 AIB 32 3HB1 AIB 32 -7.372 -15.197 -0.766 233 1HB2 AIB 32 1HB2 AIB 32 -6.211 -11.722 -1.758 234 2HB2 AIB 32 2HB2 AIB 32 -6.686 -10.895 -0.265 235 3HB2 AIB 32 3HB2 AIB 32 -7.939 -11.422 -1.421 236 H ARG 33 H ARG 33 -7.767 -14.559 1.835 237 HA ARG 33 HA ARG 33 -10.450 -14.451 1.708 238 1HB ARG 33 HB1 ARG 33 -9.881 -15.885 3.408 239 2HB ARG 33 HB2 ARG 33 -8.424 -14.992 3.795 240 1HG ARG 33 HG1 ARG 33 -9.731 -13.327 5.071 241 2HG ARG 33 HG2 ARG 33 -11.233 -14.096 4.597 242 1HD ARG 33 HD1 ARG 33 -10.161 -16.264 5.696 243 2HD ARG 33 HD2 ARG 33 -9.106 -15.121 6.501 244 HE ARG 33 HE ARG 33 -11.898 -15.586 7.099 245 1HH1 ARG 33 HH1 ARG 33 -12.226 -12.806 9.183 246 2HH1 ARG 33 HH1 ARG 33 -12.930 -14.310 8.690 247 1HH2 ARG 33 HH2 ARG 33 -10.237 -12.087 8.229 248 2HH2 ARG 33 HH2 ARG 33 -9.455 -13.054 7.023 249 H GLN 34 H GLN 34 -8.195 -11.918 2.655 250 HA GLN 34 HA GLN 34 -9.735 -10.412 4.325 251 1HB GLN 34 HB1 GLN 34 -7.280 -10.098 3.544 252 2HB GLN 34 HB2 GLN 34 -7.941 -9.213 2.184 253 1HG GLN 34 HG1 GLN 34 -8.314 -7.367 3.456 254 2HG GLN 34 HG2 GLN 34 -9.178 -8.295 4.666 255 1HE2 GLN 34 1HE2 GLN 34 -7.106 -6.123 4.756 256 2HE2 GLN 34 2HE2 GLN 34 -5.867 -6.693 5.824 257 H ARG 35 H ARG 35 -10.201 -11.130 0.948 258 HA ARG 35 HA ARG 35 -11.838 -8.799 0.561 259 1HB ARG 35 HB1 ARG 35 -10.590 -10.886 -1.161 260 2HB ARG 35 HB2 ARG 35 -12.181 -10.386 -1.698 261 1HG ARG 35 HG1 ARG 35 -11.516 -8.102 -1.949 262 2HG ARG 35 HG2 ARG 35 -10.091 -8.311 -0.951 263 1HD ARG 35 HD1 ARG 35 -8.882 -9.413 -2.655 264 2HD ARG 35 HD2 ARG 35 -10.331 -9.946 -3.486 265 HE ARG 35 HE ARG 35 -10.321 -7.947 -4.687 266 1HH1 ARG 35 HH1 ARG 35 -8.639 -4.937 -4.151 267 2HH1 ARG 35 HH1 ARG 35 -9.652 -5.832 -5.234 268 1HH2 ARG 35 HH2 ARG 35 -7.962 -5.886 -2.145 269 2HH2 ARG 35 HH2 ARG 35 -8.469 -7.489 -1.730 270 H TYR 36 H TYR 36 -12.466 -11.106 2.505 271 HA TYR 36 HA TYR 36 -15.234 -11.336 1.783 272 1HB TYR 36 HB1 TYR 36 -13.574 -13.867 2.269 273 2HB TYR 36 HB2 TYR 36 -15.186 -13.774 1.587 274 HD1 TYR 36 HD1 TYR 36 -11.608 -13.014 0.878 275 HD2 TYR 36 HD2 TYR 36 -15.515 -13.626 -0.756 276 HE1 TYR 36 HE1 TYR 36 -10.627 -13.069 -1.467 277 HE2 TYR 36 HE2 TYR 36 -14.520 -13.678 -3.095 278 HH TYR 36 HH TYR 36 -12.248 -14.264 -4.070 279 1HN NH2 37 HN1 NH2 237 -12.728 -12.937 3.774 280 2HN NH2 37 HN2 NH2 237 -13.499 -12.684 5.304 Start of MODEL 20 1 H TYR 1 H TYR 1 -9.260 1.207 -13.469 2 HA TYR 1 HA TYR 1 -6.662 0.745 -12.379 3 1HB TYR 1 HB1 TYR 1 -7.788 -0.146 -15.086 4 2HB TYR 1 HB2 TYR 1 -6.721 -1.054 -14.033 5 HD1 TYR 1 HD1 TYR 1 -7.656 -1.968 -11.839 6 HD2 TYR 1 HD2 TYR 1 -10.143 -0.384 -14.940 7 HE1 TYR 1 HE1 TYR 1 -9.666 -3.173 -10.853 8 HE2 TYR 1 HE2 TYR 1 -12.144 -1.593 -13.943 9 HH TYR 1 HH TYR 1 -11.776 -3.575 -11.012 10 HA PRO 2 HA PRO 2 -5.178 3.931 -15.164 11 1HB PRO 2 HB1 PRO 2 -3.286 4.970 -13.488 12 2HB PRO 2 HB2 PRO 2 -4.922 5.588 -13.586 13 1HG PRO 2 HG1 PRO 2 -3.695 3.916 -11.479 14 2HG PRO 2 HG2 PRO 2 -5.155 4.882 -11.402 15 1HD PRO 2 HD1 PRO 2 -4.996 2.032 -11.675 16 2HD PRO 2 HD2 PRO 2 -6.450 3.009 -11.715 17 H SER 3 H SER 3 -2.745 4.558 -15.757 18 HA SER 3 HA SER 3 -1.164 2.163 -15.514 19 1HB SER 3 HB1 SER 3 -2.307 1.620 -17.546 20 2HB SER 3 HB2 SER 3 -2.201 3.262 -18.147 21 HG SER 3 HG SER 3 -0.331 2.771 -19.048 22 H LYS 4 H LYS 4 -1.409 5.332 -17.298 23 HA LYS 4 HA LYS 4 0.184 6.829 -17.773 24 1HB LYS 4 HB1 LYS 4 0.954 6.756 -14.874 25 2HB LYS 4 HB2 LYS 4 0.697 8.133 -15.926 26 1HG LYS 4 HG1 LYS 4 -1.802 6.959 -15.996 27 2HG LYS 4 HG2 LYS 4 -1.288 6.538 -14.375 28 1HD LYS 4 HD1 LYS 4 -0.703 9.356 -15.111 29 2HD LYS 4 HD2 LYS 4 -2.413 8.970 -15.118 30 1HE LYS 4 HE1 LYS 4 -2.497 8.661 -12.833 31 2HE LYS 4 HE2 LYS 4 -0.921 7.897 -12.770 32 1HZ LYS 4 HZ1 LYS 4 0.069 9.848 -12.432 33 2HZ LYS 4 HZ2 LYS 4 -0.877 10.674 -13.477 34 3HZ LYS 4 HZ3 LYS 4 -1.405 10.370 -11.962 35 HA PRO 5 HA PRO 5 3.700 4.111 -18.122 36 1HB PRO 5 HB1 PRO 5 4.246 4.646 -20.746 37 2HB PRO 5 HB2 PRO 5 3.202 3.335 -20.232 38 1HG PRO 5 HG1 PRO 5 2.460 5.936 -21.426 39 2HG PRO 5 HG2 PRO 5 1.504 4.472 -21.302 40 1HD PRO 5 HD1 PRO 5 1.252 6.828 -19.685 41 2HD PRO 5 HD2 PRO 5 0.377 5.323 -19.487 42 H ASP 6 H ASP 6 4.375 5.813 -16.490 43 HA ASP 6 HA ASP 6 5.893 7.218 -15.846 44 1HB ASP 6 HB1 ASP 6 7.170 6.546 -18.535 45 2HB ASP 6 HB2 ASP 6 7.964 7.540 -17.330 46 H ASN 7 H ASN 7 6.742 9.512 -16.219 47 HA ASN 7 HA ASN 7 6.142 10.866 -18.573 48 1HB ASN 7 HB1 ASN 7 3.786 10.672 -17.861 49 2HB ASN 7 HB2 ASN 7 4.181 11.243 -16.252 50 1HD2 ASN 7 HD2 ASN 7 2.752 12.119 -18.983 51 2HD2 ASN 7 HD2 ASN 7 3.040 13.826 -19.029 52 HA PRO 8 HA PRO 8 8.897 13.362 -16.210 53 1HB PRO 8 HB1 PRO 8 9.390 15.318 -18.054 54 2HB PRO 8 HB2 PRO 8 10.223 13.776 -18.046 55 1HG PRO 8 HG1 PRO 8 8.081 14.716 -19.854 56 2HG PRO 8 HG2 PRO 8 9.203 13.388 -20.078 57 1HD PRO 8 HD1 PRO 8 6.441 13.193 -19.332 58 2HD PRO 8 HD2 PRO 8 7.592 11.877 -19.444 59 H GLY 9 H GLY 9 8.274 14.408 -14.437 60 1HA GLY 9 HA1 GLY 9 7.287 17.026 -14.619 61 2HA GLY 9 HA2 GLY 9 5.924 15.946 -14.402 62 H GLU 10 H GLU 10 6.598 14.020 -12.676 63 HA GLU 10 HA GLU 10 7.000 13.511 -10.604 64 1HB GLU 10 HB1 GLU 10 8.868 15.832 -10.136 65 2HB GLU 10 HB2 GLU 10 8.992 14.181 -9.562 66 1HG GLU 10 HG1 GLU 10 9.117 13.738 -12.262 67 2HG GLU 10 HG2 GLU 10 9.815 15.344 -12.195 68 H ASP 11 H ASP 11 4.657 14.645 -10.805 69 HA ASP 11 HA ASP 11 4.220 15.824 -8.360 70 1HB ASP 11 HB1 ASP 11 3.402 18.103 -9.219 71 2HB ASP 11 HB2 ASP 11 5.139 17.896 -9.114 72 H ALA 12 H ALA 12 2.549 14.161 -8.512 73 HA ALA 12 HA ALA 12 0.083 15.035 -9.485 74 1HB ALA 12 HB1 ALA 12 -0.274 13.607 -11.387 75 2HB ALA 12 HB2 ALA 12 1.240 14.495 -11.680 76 3HB ALA 12 HB3 ALA 12 1.293 12.797 -11.150 77 HA PRO 13 HA PRO 13 -1.018 11.847 -6.781 78 1HB PRO 13 HB1 PRO 13 -3.607 11.327 -7.486 79 2HB PRO 13 HB2 PRO 13 -3.140 12.696 -6.498 80 1HG PRO 13 HG1 PRO 13 -3.946 12.653 -9.341 81 2HG PRO 13 HG2 PRO 13 -3.890 14.012 -8.237 82 1HD PRO 13 HD1 PRO 13 -1.999 13.404 -10.306 83 2HD PRO 13 HD2 PRO 13 -1.884 14.695 -9.127 84 H ALA 14 H ALA 14 -2.532 9.618 -6.819 85 HA ALA 14 HA ALA 14 -2.162 7.460 -7.264 86 1HB ALA 14 HB1 ALA 14 -3.736 7.426 -8.899 87 2HB ALA 14 HB2 ALA 14 -3.059 8.856 -9.713 88 3HB ALA 14 HB3 ALA 14 -2.350 7.250 -10.001 89 H GLU 15 H GLU 15 0.277 9.234 -7.152 90 HA GLU 15 HA GLU 15 1.979 7.527 -8.798 91 1HB GLU 15 HB1 GLU 15 1.744 10.230 -9.112 92 2HB GLU 15 HB2 GLU 15 3.029 10.186 -7.922 93 1HG GLU 15 HG1 GLU 15 4.354 8.662 -9.366 94 2HG GLU 15 HG2 GLU 15 3.052 8.608 -10.538 95 H ASP 16 H ASP 16 1.161 8.819 -5.646 96 HA ASP 16 HA ASP 16 3.604 7.647 -4.579 97 1HB ASP 16 HB1 ASP 16 2.975 10.118 -4.112 98 2HB ASP 16 HB2 ASP 16 1.664 9.497 -3.130 99 H LEU 17 H LEU 17 0.028 7.771 -4.524 100 HA LEU 17 HA LEU 17 -0.120 5.877 -2.339 101 1HB LEU 17 HB1 LEU 17 -1.671 7.953 -3.010 102 2HB LEU 17 HB2 LEU 17 -2.511 6.697 -3.898 103 HG LEU 17 HG LEU 17 -1.973 5.753 -1.233 104 1HD1 LEU 17 HD1 LEU 17 -1.889 8.274 -0.827 105 2HD1 LEU 17 HD1 LEU 17 -3.625 8.278 -1.218 106 3HD1 LEU 17 HD1 LEU 17 -3.025 7.322 0.159 107 1HD2 LEU 17 HD2 LEU 17 -4.258 5.216 -1.229 108 2HD2 LEU 17 HD2 LEU 17 -4.658 6.513 -2.380 109 3HD2 LEU 17 HD2 LEU 17 -3.759 5.080 -2.932 110 H ALA 18 H ALA 18 0.285 5.868 -5.752 111 HA ALA 18 HA ALA 18 -1.223 3.554 -6.354 112 1HB ALA 18 HB1 ALA 18 -0.746 4.502 -8.345 113 2HB ALA 18 HB2 ALA 18 0.626 5.413 -7.668 114 3HB ALA 18 HB3 ALA 18 0.854 3.733 -8.209 115 H ARG 19 H ARG 19 2.262 4.165 -5.568 116 HA ARG 19 HA ARG 19 3.085 1.573 -5.879 117 1HB ARG 19 HB1 ARG 19 4.094 3.715 -3.939 118 2HB ARG 19 HB2 ARG 19 4.972 2.246 -4.314 119 1HG ARG 19 HG1 ARG 19 4.139 3.596 -6.776 120 2HG ARG 19 HG2 ARG 19 5.041 4.694 -5.750 121 1HD ARG 19 HD1 ARG 19 7.010 3.483 -5.938 122 2HD ARG 19 HD2 ARG 19 6.186 1.938 -5.997 123 HE ARG 19 HE ARG 19 6.076 2.102 -8.334 124 1HH1 ARG 19 HH1 ARG 19 6.980 4.719 -10.459 125 2HH1 ARG 19 HH1 ARG 19 6.506 3.056 -10.366 126 1HH2 ARG 19 HH2 ARG 19 7.179 5.979 -8.519 127 2HH2 ARG 19 HH2 ARG 19 6.853 5.255 -6.980 128 H TYR 20 H TYR 20 1.079 3.044 -3.427 129 HA TYR 20 HA TYR 20 1.614 0.911 -1.511 130 1HB TYR 20 HB1 TYR 20 1.398 3.054 -0.467 131 2HB TYR 20 HB2 TYR 20 0.264 3.627 -1.674 132 HD1 TYR 20 HD1 TYR 20 0.548 1.295 1.232 133 HD2 TYR 20 HD2 TYR 20 -2.048 3.637 -1.233 134 HE1 TYR 20 HE1 TYR 20 -1.385 0.836 2.819 135 HE2 TYR 20 HE2 TYR 20 -3.972 3.170 0.361 136 HH TYR 20 HH TYR 20 -4.234 0.885 2.245 137 H TYR 21 H TYR 21 -0.438 1.591 -4.180 138 HA TYR 21 HA TYR 21 -2.615 -0.018 -3.070 139 1HB TYR 21 HB1 TYR 21 -2.179 2.180 -5.002 140 2HB TYR 21 HB2 TYR 21 -3.044 0.869 -5.779 141 HD1 TYR 21 HD1 TYR 21 -3.201 2.393 -2.344 142 HD2 TYR 21 HD2 TYR 21 -5.309 1.328 -5.911 143 HE1 TYR 21 HE1 TYR 21 -5.375 3.209 -1.310 144 HE2 TYR 21 HE2 TYR 21 -7.477 2.147 -4.865 145 HH TYR 21 HH TYR 21 -8.310 2.384 -2.404 146 H SER 22 H SER 22 0.039 -0.031 -5.427 147 HA SER 22 HA SER 22 -1.013 -2.296 -6.798 148 1HB SER 22 HB1 SER 22 0.961 -0.317 -7.295 149 2HB SER 22 HB2 SER 22 1.839 -1.832 -7.224 150 HG SER 22 HG SER 22 0.127 -2.674 -8.749 151 H ALA 23 H ALA 23 1.270 -1.582 -4.152 152 HA ALA 23 HA ALA 23 2.307 -4.270 -4.116 153 1HB ALA 23 HB1 ALA 23 3.978 -2.987 -3.288 154 2HB ALA 23 HB2 ALA 23 2.871 -1.658 -2.870 155 3HB ALA 23 HB3 ALA 23 3.067 -3.034 -1.760 156 H LEU 24 H LEU 24 -0.397 -2.466 -2.811 157 HA LEU 24 HA LEU 24 -0.800 -3.947 -0.467 158 1HB LEU 24 HB1 LEU 24 -2.312 -2.377 -0.201 159 2HB LEU 24 HB2 LEU 24 -1.992 -1.797 -1.823 160 HG LEU 24 HG LEU 24 -4.341 -2.118 -1.612 161 1HD1 LEU 24 HD1 LEU 24 -4.216 -4.525 -3.129 162 2HD1 LEU 24 HD1 LEU 24 -4.403 -2.850 -3.702 163 3HD1 LEU 24 HD1 LEU 24 -2.777 -3.552 -3.515 164 1HD2 LEU 24 HD2 LEU 24 -3.620 -4.293 0.077 165 2HD2 LEU 24 HD2 LEU 24 -5.228 -3.586 -0.209 166 3HD2 LEU 24 HD2 LEU 24 -4.652 -4.927 -1.228 167 H ARG 25 H ARG 25 -0.936 -4.854 -3.771 168 HA ARG 25 HA ARG 25 -3.006 -6.778 -3.387 169 1HB ARG 25 HB1 ARG 25 -2.341 -5.500 -5.591 170 2HB ARG 25 HB2 ARG 25 -1.071 -6.698 -5.737 171 1HG ARG 25 HG1 ARG 25 -2.560 -8.148 -6.636 172 2HG ARG 25 HG2 ARG 25 -3.448 -8.157 -5.125 173 1HD ARG 25 HD1 ARG 25 -4.397 -5.818 -6.094 174 2HD ARG 25 HD2 ARG 25 -3.969 -6.555 -7.626 175 HE ARG 25 HE ARG 25 -6.121 -7.396 -5.823 176 1HH1 ARG 25 HH1 ARG 25 -7.042 -10.065 -7.875 177 2HH1 ARG 25 HH1 ARG 25 -7.499 -9.078 -6.527 178 1HH2 ARG 25 HH2 ARG 25 -5.030 -9.680 -8.966 179 2HH2 ARG 25 HH2 ARG 25 -3.986 -8.405 -8.432 180 H HIS 26 H HIS 26 0.535 -6.877 -4.257 181 HA HIS 26 HA HIS 26 0.789 -9.625 -3.959 182 1HB HIS 26 HB1 HIS 26 2.375 -7.551 -4.813 183 2HB HIS 26 HB2 HIS 26 3.173 -8.010 -3.322 184 HD1 HIS 26 HD1 HIS 26 3.766 -10.710 -3.149 185 HD2 HIS 26 HD2 HIS 26 3.014 -9.131 -6.962 186 HE1 HIS 26 HE1 HIS 26 4.738 -12.378 -4.817 187 H TYR 27 H TYR 27 0.500 -7.042 -1.614 188 HA TYR 27 HA TYR 27 1.732 -8.545 0.512 189 1HB TYR 27 HB1 TYR 27 1.891 -6.182 0.776 190 2HB TYR 27 HB2 TYR 27 0.365 -5.899 -0.037 191 HD1 TYR 27 HD1 TYR 27 1.108 -8.036 2.950 192 HD2 TYR 27 HD2 TYR 27 -0.886 -4.572 1.424 193 HE1 TYR 27 HE1 TYR 27 -0.031 -7.694 5.197 194 HE2 TYR 27 HE2 TYR 27 -2.019 -4.241 3.676 195 HH TYR 27 HH TYR 27 -2.455 -6.394 5.806 196 H ILE 28 H ILE 28 -1.593 -7.655 -0.585 197 HA ILE 28 HA ILE 28 -2.780 -9.015 1.645 198 HB ILE 28 HB ILE 28 -3.835 -7.632 -0.809 199 1HG1 ILE 28 1HG1 ILE 28 -2.985 -6.186 0.958 200 2HG1 ILE 28 2HG1 ILE 28 -4.726 -6.039 0.814 201 1HG2 ILE 28 1HG2 ILE 28 -6.103 -7.963 0.408 202 2HG2 ILE 28 2HG2 ILE 28 -5.454 -9.277 -0.602 203 3HG2 ILE 28 3HG2 ILE 28 -5.300 -9.358 1.169 204 1HD1 ILE 28 1HD1 ILE 28 -3.106 -7.044 3.073 205 2HD1 ILE 28 2HD1 ILE 28 -4.761 -6.388 3.065 206 3HD1 ILE 28 3HD1 ILE 28 -4.480 -8.100 2.664 207 H ASN 29 H ASN 29 -1.464 -9.879 -1.436 208 HA ASN 29 HA ASN 29 -3.104 -11.849 -2.288 209 1HB ASN 29 HB1 ASN 29 -0.980 -11.054 -3.414 210 2HB ASN 29 HB2 ASN 29 -0.041 -11.934 -2.224 211 1HD2 ASN 29 HD2 ASN 29 0.798 -12.913 -4.224 212 2HD2 ASN 29 HD2 ASN 29 0.011 -14.312 -4.873 213 H LEU 30 H LEU 30 -1.006 -11.696 0.555 214 HA LEU 30 HA LEU 30 -0.675 -14.451 0.986 215 1HB LEU 30 HB1 LEU 30 -0.280 -11.935 2.484 216 2HB LEU 30 HB2 LEU 30 -0.521 -13.368 3.464 217 HG LEU 30 HG LEU 30 1.884 -12.612 2.775 218 1HD1 LEU 30 HD1 LEU 30 1.163 -14.697 4.016 219 2HD1 LEU 30 HD1 LEU 30 1.199 -15.538 2.447 220 3HD1 LEU 30 HD1 LEU 30 2.687 -14.813 3.103 221 1HD2 LEU 30 HD2 LEU 30 2.651 -12.992 0.695 222 2HD2 LEU 30 HD2 LEU 30 1.673 -14.464 0.482 223 3HD2 LEU 30 HD2 LEU 30 0.933 -12.862 0.248 224 H ALA 31 H ALA 31 -3.455 -12.443 1.059 225 HA ALA 31 HA ALA 31 -4.852 -13.565 3.207 226 1HB ALA 31 HB1 ALA 31 -5.676 -12.214 0.616 227 2HB ALA 31 HB2 ALA 31 -6.856 -12.727 1.846 228 3HB ALA 31 HB3 ALA 31 -5.616 -11.517 2.253 229 1HN AIB 32 1HN AIB 32 -6.330 -14.070 0.052 230 1HB1 AIB 32 1HB1 AIB 32 -4.968 -16.602 -1.556 231 2HB1 AIB 32 2HB1 AIB 32 -5.608 -18.077 -0.784 232 3HB1 AIB 32 3HB1 AIB 32 -4.513 -17.016 0.121 233 1HB2 AIB 32 1HB2 AIB 32 -8.090 -16.781 -1.591 234 2HB2 AIB 32 2HB2 AIB 32 -7.027 -15.477 -2.147 235 3HB2 AIB 32 3HB2 AIB 32 -8.279 -15.136 -0.922 236 H ARG 33 H ARG 33 -7.851 -15.298 2.013 237 HA ARG 33 HA ARG 33 -8.990 -17.872 2.539 238 1HB ARG 33 HB1 ARG 33 -6.678 -16.853 4.020 239 2HB ARG 33 HB2 ARG 33 -8.048 -17.033 5.098 240 1HG ARG 33 HG1 ARG 33 -7.650 -19.308 3.211 241 2HG ARG 33 HG2 ARG 33 -6.352 -19.087 4.368 242 1HD ARG 33 HD1 ARG 33 -7.740 -20.397 5.680 243 2HD ARG 33 HD2 ARG 33 -8.421 -18.835 6.088 244 HE ARG 33 HE ARG 33 -9.876 -19.506 3.863 245 1HH1 ARG 33 HH1 ARG 33 -12.099 -21.915 5.060 246 2HH1 ARG 33 HH1 ARG 33 -11.796 -20.744 3.820 247 1HH2 ARG 33 HH2 ARG 33 -10.555 -22.225 6.765 248 2HH2 ARG 33 HH2 ARG 33 -9.099 -21.287 6.797 249 H GLN 34 H GLN 34 -8.376 -14.514 3.785 250 HA GLN 34 HA GLN 34 -11.014 -14.492 4.937 251 1HB GLN 34 HB1 GLN 34 -8.605 -12.668 5.051 252 2HB GLN 34 HB2 GLN 34 -10.173 -12.044 5.521 253 1HG GLN 34 HG1 GLN 34 -9.162 -14.673 6.659 254 2HG GLN 34 HG2 GLN 34 -8.642 -13.150 7.351 255 1HE2 GLN 34 1HE2 GLN 34 -9.804 -14.417 9.145 256 2HE2 GLN 34 2HE2 GLN 34 -11.470 -14.025 9.412 257 H ARG 35 H ARG 35 -9.343 -13.525 2.025 258 HA ARG 35 HA ARG 35 -11.465 -11.664 1.388 259 1HB ARG 35 HB1 ARG 35 -8.652 -12.101 0.466 260 2HB ARG 35 HB2 ARG 35 -9.770 -11.615 -0.792 261 1HG ARG 35 HG1 ARG 35 -9.224 -10.137 1.823 262 2HG ARG 35 HG2 ARG 35 -8.766 -9.615 0.214 263 1HD ARG 35 HD1 ARG 35 -11.483 -9.969 -0.124 264 2HD ARG 35 HD2 ARG 35 -11.428 -9.489 1.560 265 HE ARG 35 HE ARG 35 -10.950 -7.325 0.849 266 1HH1 ARG 35 HH1 ARG 35 -9.583 -6.094 -2.116 267 2HH1 ARG 35 HH1 ARG 35 -10.274 -5.678 -0.583 268 1HH2 ARG 35 HH2 ARG 35 -9.345 -8.323 -2.715 269 2HH2 ARG 35 HH2 ARG 35 -9.857 -9.571 -1.629 270 H TYR 36 H TYR 36 -12.002 -14.550 1.545 271 HA TYR 36 HA TYR 36 -13.159 -14.888 -1.051 272 1HB TYR 36 HB1 TYR 36 -11.240 -16.028 -1.780 273 2HB TYR 36 HB2 TYR 36 -10.611 -16.161 -0.150 274 HD1 TYR 36 HD1 TYR 36 -10.556 -18.249 0.898 275 HD2 TYR 36 HD2 TYR 36 -13.237 -17.636 -2.379 276 HE1 TYR 36 HE1 TYR 36 -11.161 -20.718 0.923 277 HE2 TYR 36 HE2 TYR 36 -13.834 -20.107 -2.343 278 HH TYR 36 HH TYR 36 -12.444 -22.261 0.114 279 1HN NH2 37 HN1 NH2 237 -12.163 -16.513 1.964 280 2HN NH2 37 HN2 NH2 237 -13.692 -17.250 2.311 Start of MODEL 21 1 H TYR 1 H TYR 1 13.181 5.623 7.144 2 HA TYR 1 HA TYR 1 13.330 8.391 7.474 3 1HB TYR 1 HB1 TYR 1 12.036 7.500 4.844 4 2HB TYR 1 HB2 TYR 1 12.498 9.128 5.300 5 HD1 TYR 1 HD1 TYR 1 13.381 6.360 3.332 6 HD2 TYR 1 HD2 TYR 1 15.126 9.442 5.732 7 HE1 TYR 1 HE1 TYR 1 15.584 6.089 2.092 8 HE2 TYR 1 HE2 TYR 1 17.323 9.160 4.484 9 HH TYR 1 HH TYR 1 17.863 6.502 2.365 10 HA PRO 2 HA PRO 2 9.530 6.454 8.850 11 1HB PRO 2 HB1 PRO 2 9.526 7.508 11.372 12 2HB PRO 2 HB2 PRO 2 10.232 5.952 10.985 13 1HG PRO 2 HG1 PRO 2 11.592 8.515 11.548 14 2HG PRO 2 HG2 PRO 2 12.252 6.892 11.581 15 1HD PRO 2 HD1 PRO 2 12.627 8.856 9.524 16 2HD PRO 2 HD2 PRO 2 13.189 7.196 9.504 17 H SER 3 H SER 3 10.602 9.616 8.430 18 HA SER 3 HA SER 3 9.586 11.520 8.160 19 1HB SER 3 HB1 SER 3 8.259 9.633 6.567 20 2HB SER 3 HB2 SER 3 6.945 10.496 7.342 21 HG SER 3 HG SER 3 7.321 11.821 5.655 22 H LYS 4 H LYS 4 6.826 12.354 8.382 23 HA LYS 4 HA LYS 4 6.216 11.676 11.168 24 1HB LYS 4 HB1 LYS 4 5.876 14.492 10.188 25 2HB LYS 4 HB2 LYS 4 6.049 13.893 11.826 26 1HG LYS 4 HG1 LYS 4 8.432 13.298 11.363 27 2HG LYS 4 HG2 LYS 4 8.262 13.879 9.718 28 1HD LYS 4 HD1 LYS 4 7.338 15.921 11.588 29 2HD LYS 4 HD2 LYS 4 8.951 15.400 12.029 30 1HE LYS 4 HE1 LYS 4 8.336 16.001 9.123 31 2HE LYS 4 HE2 LYS 4 8.615 17.330 10.231 32 1HZ LYS 4 HZ1 LYS 4 10.510 15.149 10.308 33 2HZ LYS 4 HZ2 LYS 4 10.557 16.119 8.995 34 3HZ LYS 4 HZ3 LYS 4 10.761 16.753 10.486 35 HA PRO 5 HA PRO 5 2.158 11.326 9.743 36 1HB PRO 5 HB1 PRO 5 0.657 12.067 11.903 37 2HB PRO 5 HB2 PRO 5 1.413 10.493 11.757 38 1HG PRO 5 HG1 PRO 5 2.220 12.788 13.436 39 2HG PRO 5 HG2 PRO 5 2.684 11.105 13.582 40 1HD PRO 5 HD1 PRO 5 4.277 13.238 12.513 41 2HD PRO 5 HD2 PRO 5 4.694 11.537 12.553 42 H ASP 6 H ASP 6 2.291 12.816 8.008 43 HA ASP 6 HA ASP 6 0.367 14.854 8.386 44 1HB ASP 6 HB1 ASP 6 3.281 15.489 8.401 45 2HB ASP 6 HB2 ASP 6 2.338 16.455 7.283 46 H ASN 7 H ASN 7 -0.523 15.400 6.314 47 HA ASN 7 HA ASN 7 0.964 14.368 4.034 48 1HB ASN 7 HB1 ASN 7 -1.309 13.739 3.040 49 2HB ASN 7 HB2 ASN 7 -0.823 12.763 4.412 50 1HD2 ASN 7 HD2 ASN 7 -3.398 12.770 3.783 51 2HD2 ASN 7 HD2 ASN 7 -4.359 13.668 4.911 52 HA PRO 8 HA PRO 8 -0.286 18.686 3.366 53 1HB PRO 8 HB1 PRO 8 2.077 19.570 2.315 54 2HB PRO 8 HB2 PRO 8 1.690 19.671 4.021 55 1HG PRO 8 HG1 PRO 8 3.518 17.802 2.642 56 2HG PRO 8 HG2 PRO 8 3.437 18.201 4.347 57 1HD PRO 8 HD1 PRO 8 2.453 15.816 3.095 58 2HD PRO 8 HD2 PRO 8 2.269 16.268 4.778 59 H GLY 9 H GLY 9 1.981 17.293 1.031 60 1HA GLY 9 HA1 GLY 9 -0.121 17.107 -0.940 61 2HA GLY 9 HA2 GLY 9 1.028 18.395 -1.244 62 H GLU 10 H GLU 10 3.488 17.561 -0.708 63 HA GLU 10 HA GLU 10 5.143 16.413 -1.525 64 1HB GLU 10 HB1 GLU 10 3.645 13.809 -1.295 65 2HB GLU 10 HB2 GLU 10 5.302 14.173 -0.859 66 1HG GLU 10 HG1 GLU 10 4.378 15.673 1.007 67 2HG GLU 10 HG2 GLU 10 2.787 15.039 0.636 68 H ASP 11 H ASP 11 4.328 17.527 -3.636 69 HA ASP 11 HA ASP 11 4.013 17.475 -5.781 70 1HB ASP 11 HB1 ASP 11 5.466 14.975 -5.189 71 2HB ASP 11 HB2 ASP 11 4.530 14.852 -6.666 72 H ALA 12 H ALA 12 2.766 16.191 -7.680 73 HA ALA 12 HA ALA 12 0.164 15.990 -7.163 74 1HB ALA 12 HB1 ALA 12 2.013 14.925 -9.189 75 2HB ALA 12 HB2 ALA 12 0.517 13.973 -9.035 76 3HB ALA 12 HB3 ALA 12 0.430 15.715 -9.391 77 HA PRO 13 HA PRO 13 0.244 12.544 -4.370 78 1HB PRO 13 HB1 PRO 13 -1.986 13.246 -2.955 79 2HB PRO 13 HB2 PRO 13 -0.371 13.775 -2.525 80 1HG PRO 13 HG1 PRO 13 -2.546 15.314 -3.806 81 2HG PRO 13 HG2 PRO 13 -1.112 15.909 -2.993 82 1HD PRO 13 HD1 PRO 13 -1.551 15.780 -5.825 83 2HD PRO 13 HD2 PRO 13 -0.075 16.266 -5.014 84 H ALA 14 H ALA 14 -0.072 10.838 -5.730 85 HA ALA 14 HA ALA 14 -2.554 9.659 -5.686 86 1HB ALA 14 HB1 ALA 14 -2.587 11.861 -7.432 87 2HB ALA 14 HB2 ALA 14 -2.404 10.442 -8.492 88 3HB ALA 14 HB3 ALA 14 -3.775 10.537 -7.361 89 H GLU 15 H GLU 15 0.402 10.347 -7.624 90 HA GLU 15 HA GLU 15 0.438 7.700 -8.660 91 1HB GLU 15 HB1 GLU 15 1.348 9.710 -9.876 92 2HB GLU 15 HB2 GLU 15 2.624 9.828 -8.682 93 1HG GLU 15 HG1 GLU 15 3.488 8.614 -10.615 94 2HG GLU 15 HG2 GLU 15 3.367 7.498 -9.270 95 H ASP 16 H ASP 16 1.352 9.215 -5.700 96 HA ASP 16 HA ASP 16 3.529 7.448 -5.180 97 1HB ASP 16 HB1 ASP 16 2.157 9.725 -3.820 98 2HB ASP 16 HB2 ASP 16 2.836 8.528 -2.734 99 H LEU 17 H LEU 17 0.095 7.969 -4.139 100 HA LEU 17 HA LEU 17 0.021 5.918 -2.240 101 1HB LEU 17 HB1 LEU 17 -1.616 7.936 -3.010 102 2HB LEU 17 HB2 LEU 17 -2.454 6.568 -3.714 103 HG LEU 17 HG LEU 17 -1.798 5.789 -1.079 104 1HD1 LEU 17 HD1 LEU 17 -3.137 7.675 0.108 105 2HD1 LEU 17 HD1 LEU 17 -1.402 7.901 -0.219 106 3HD1 LEU 17 HD1 LEU 17 -2.613 8.675 -1.268 107 1HD2 LEU 17 HD2 LEU 17 -4.419 6.696 -2.300 108 2HD2 LEU 17 HD2 LEU 17 -3.750 5.046 -2.305 109 3HD2 LEU 17 HD2 LEU 17 -4.247 5.800 -0.771 110 H ALA 18 H ALA 18 0.306 5.842 -5.673 111 HA ALA 18 HA ALA 18 -1.154 3.494 -6.198 112 1HB ALA 18 HB1 ALA 18 -0.674 4.341 -8.228 113 2HB ALA 18 HB2 ALA 18 0.638 5.346 -7.567 114 3HB ALA 18 HB3 ALA 18 0.960 3.661 -8.040 115 H ARG 19 H ARG 19 2.285 4.157 -5.307 116 HA ARG 19 HA ARG 19 3.187 1.591 -5.615 117 1HB ARG 19 HB1 ARG 19 4.039 3.781 -3.659 118 2HB ARG 19 HB2 ARG 19 4.950 2.301 -3.883 119 1HG ARG 19 HG1 ARG 19 4.402 3.366 -6.500 120 2HG ARG 19 HG2 ARG 19 4.975 4.694 -5.511 121 1HD ARG 19 HD1 ARG 19 6.442 2.038 -5.448 122 2HD ARG 19 HD2 ARG 19 6.721 3.151 -6.773 123 HE ARG 19 HE ARG 19 6.970 4.753 -4.516 124 1HH1 ARG 19 HH1 ARG 19 10.232 4.013 -3.523 125 2HH1 ARG 19 HH1 ARG 19 8.936 5.157 -3.424 126 1HH2 ARG 19 HH2 ARG 19 9.973 2.071 -4.767 127 2HH2 ARG 19 HH2 ARG 19 8.483 1.765 -5.595 128 H TYR 20 H TYR 20 1.051 2.987 -3.223 129 HA TYR 20 HA TYR 20 1.545 0.836 -1.320 130 1HB TYR 20 HB1 TYR 20 1.225 2.958 -0.259 131 2HB TYR 20 HB2 TYR 20 0.133 3.518 -1.510 132 HD1 TYR 20 HD1 TYR 20 0.384 2.147 1.784 133 HD2 TYR 20 HD2 TYR 20 -2.236 2.471 -1.583 134 HE1 TYR 20 HE1 TYR 20 -1.607 1.613 3.272 135 HE2 TYR 20 HE2 TYR 20 -4.218 1.936 -0.083 136 HH TYR 20 HH TYR 20 -3.907 1.864 3.356 137 H TYR 21 H TYR 21 -0.402 1.504 -4.069 138 HA TYR 21 HA TYR 21 -2.584 -0.177 -3.082 139 1HB TYR 21 HB1 TYR 21 -2.118 2.058 -4.963 140 2HB TYR 21 HB2 TYR 21 -2.913 0.737 -5.796 141 HD1 TYR 21 HD1 TYR 21 -5.164 -0.038 -5.061 142 HD2 TYR 21 HD2 TYR 21 -3.282 3.385 -3.317 143 HE1 TYR 21 HE1 TYR 21 -7.398 0.714 -4.109 144 HE2 TYR 21 HE2 TYR 21 -5.522 4.126 -2.371 145 HH TYR 21 HH TYR 21 -7.642 3.062 -1.726 146 H SER 22 H SER 22 0.181 -0.096 -5.302 147 HA SER 22 HA SER 22 -0.748 -2.358 -6.763 148 1HB SER 22 HB1 SER 22 1.012 -0.333 -7.319 149 2HB SER 22 HB2 SER 22 2.139 -1.597 -6.868 150 HG SER 22 HG SER 22 1.202 -2.981 -8.478 151 H ALA 23 H ALA 23 1.407 -1.643 -4.004 152 HA ALA 23 HA ALA 23 2.480 -4.312 -3.949 153 1HB ALA 23 HB1 ALA 23 4.084 -3.136 -2.901 154 2HB ALA 23 HB2 ALA 23 3.021 -1.715 -2.765 155 3HB ALA 23 HB3 ALA 23 2.984 -2.978 -1.510 156 H LEU 24 H LEU 24 -0.316 -2.573 -2.740 157 HA LEU 24 HA LEU 24 -0.813 -4.117 -0.458 158 1HB LEU 24 HB1 LEU 24 -2.347 -2.561 -0.232 159 2HB LEU 24 HB2 LEU 24 -1.977 -1.958 -1.836 160 HG LEU 24 HG LEU 24 -4.329 -2.320 -1.706 161 1HD1 LEU 24 HD1 LEU 24 -2.674 -3.689 -3.579 162 2HD1 LEU 24 HD1 LEU 24 -4.107 -4.696 -3.261 163 3HD1 LEU 24 HD1 LEU 24 -4.305 -3.014 -3.810 164 1HD2 LEU 24 HD2 LEU 24 -5.241 -3.832 -0.369 165 2HD2 LEU 24 HD2 LEU 24 -4.592 -5.144 -1.382 166 3HD2 LEU 24 HD2 LEU 24 -3.630 -4.506 -0.027 167 H ARG 25 H ARG 25 -0.775 -4.944 -3.785 168 HA ARG 25 HA ARG 25 -2.833 -6.904 -3.551 169 1HB ARG 25 HB1 ARG 25 -1.927 -5.534 -5.683 170 2HB ARG 25 HB2 ARG 25 -0.824 -6.889 -5.813 171 1HG ARG 25 HG1 ARG 25 -2.464 -8.078 -6.828 172 2HG ARG 25 HG2 ARG 25 -3.369 -8.056 -5.328 173 1HD ARG 25 HD1 ARG 25 -4.273 -5.754 -6.022 174 2HD ARG 25 HD2 ARG 25 -3.525 -6.007 -7.586 175 HE ARG 25 HE ARG 25 -5.921 -7.345 -6.558 176 1HH1 ARG 25 HH1 ARG 25 -6.286 -9.295 -9.429 177 2HH1 ARG 25 HH1 ARG 25 -7.043 -8.748 -7.970 178 1HH2 ARG 25 HH2 ARG 25 -4.133 -8.602 -9.949 179 2HH2 ARG 25 HH2 ARG 25 -3.283 -7.538 -8.879 180 H HIS 26 H HIS 26 0.742 -6.954 -4.277 181 HA HIS 26 HA HIS 26 1.021 -9.697 -4.021 182 1HB HIS 26 HB1 HIS 26 2.613 -7.622 -4.784 183 2HB HIS 26 HB2 HIS 26 3.327 -8.014 -3.232 184 HD1 HIS 26 HD1 HIS 26 3.159 -11.082 -3.216 185 HD2 HIS 26 HD2 HIS 26 4.286 -8.835 -6.574 186 HE1 HIS 26 HE1 HIS 26 4.523 -12.648 -4.699 187 H TYR 27 H TYR 27 0.584 -7.179 -1.627 188 HA TYR 27 HA TYR 27 1.717 -8.736 0.518 189 1HB TYR 27 HB1 TYR 27 1.862 -6.378 0.843 190 2HB TYR 27 HB2 TYR 27 0.369 -6.077 -0.024 191 HD1 TYR 27 HD1 TYR 27 1.116 -8.195 2.987 192 HD2 TYR 27 HD2 TYR 27 -1.064 -4.889 1.366 193 HE1 TYR 27 HE1 TYR 27 -0.115 -7.916 5.194 194 HE2 TYR 27 HE2 TYR 27 -2.288 -4.621 3.579 195 HH TYR 27 HH TYR 27 -2.875 -5.951 5.481 196 H ILE 28 H ILE 28 -1.545 -7.832 -0.736 197 HA ILE 28 HA ILE 28 -2.821 -9.297 1.393 198 HB ILE 28 HB ILE 28 -3.825 -7.768 -1.002 199 1HG1 ILE 28 1HG1 ILE 28 -2.918 -6.394 0.793 200 2HG1 ILE 28 2HG1 ILE 28 -4.656 -6.198 0.675 201 1HG2 ILE 28 1HG2 ILE 28 -5.243 -9.664 0.788 202 2HG2 ILE 28 2HG2 ILE 28 -6.054 -8.114 0.458 203 3HG2 ILE 28 3HG2 ILE 28 -5.588 -9.180 -0.890 204 1HD1 ILE 28 1HD1 ILE 28 -4.375 -6.463 2.986 205 2HD1 ILE 28 2HD1 ILE 28 -4.728 -8.134 2.486 206 3HD1 ILE 28 3HD1 ILE 28 -3.048 -7.633 2.793 207 H ASN 29 H ASN 29 -1.210 -10.100 -1.462 208 HA ASN 29 HA ASN 29 -2.898 -11.920 -2.630 209 1HB ASN 29 HB1 ASN 29 -0.564 -11.053 -3.402 210 2HB ASN 29 HB2 ASN 29 0.124 -12.289 -2.368 211 1HD2 ASN 29 HD2 ASN 29 0.934 -12.724 -4.676 212 2HD2 ASN 29 HD2 ASN 29 0.061 -13.908 -5.591 213 H LEU 30 H LEU 30 -1.339 -11.920 0.468 214 HA LEU 30 HA LEU 30 -1.414 -14.833 0.666 215 1HB LEU 30 HB1 LEU 30 0.554 -14.373 1.596 216 2HB LEU 30 HB2 LEU 30 0.159 -12.687 1.866 217 HG LEU 30 HG LEU 30 -1.133 -13.346 3.895 218 1HD1 LEU 30 HD1 LEU 30 -1.082 -15.884 2.837 219 2HD1 LEU 30 HD1 LEU 30 0.128 -15.981 4.139 220 3HD1 LEU 30 HD1 LEU 30 -1.534 -15.458 4.505 221 1HD2 LEU 30 HD2 LEU 30 1.803 -13.717 3.574 222 2HD2 LEU 30 HD2 LEU 30 0.887 -12.551 4.559 223 3HD2 LEU 30 HD2 LEU 30 1.071 -14.233 5.113 224 H ALA 31 H ALA 31 -3.245 -11.978 1.343 225 HA ALA 31 HA ALA 31 -4.824 -13.468 3.324 226 1HB ALA 31 HB1 ALA 31 -5.033 -10.493 2.913 227 2HB ALA 31 HB2 ALA 31 -5.298 -11.456 4.386 228 3HB ALA 31 HB3 ALA 31 -3.642 -11.150 3.808 229 1HN AIB 32 1HN AIB 32 -5.326 -14.377 0.873 230 1HB1 AIB 32 1HB1 AIB 32 -7.462 -15.782 -0.885 231 2HB1 AIB 32 2HB1 AIB 32 -5.762 -15.268 -1.047 232 3HB1 AIB 32 3HB1 AIB 32 -6.978 -14.646 -2.176 233 1HB2 AIB 32 1HB2 AIB 32 -7.657 -12.552 -1.923 234 2HB2 AIB 32 2HB2 AIB 32 -6.296 -11.886 -1.006 235 3HB2 AIB 32 3HB2 AIB 32 -7.951 -11.757 -0.352 236 H ARG 33 H ARG 33 -7.545 -15.544 1.750 237 HA ARG 33 HA ARG 33 -10.114 -16.020 1.626 238 1HB ARG 33 HB1 ARG 33 -8.119 -15.968 3.769 239 2HB ARG 33 HB2 ARG 33 -9.703 -15.590 4.417 240 1HG ARG 33 HG1 ARG 33 -9.536 -17.891 2.486 241 2HG ARG 33 HG2 ARG 33 -8.834 -18.137 4.073 242 1HD ARG 33 HD1 ARG 33 -10.914 -18.528 4.894 243 2HD ARG 33 HD2 ARG 33 -11.336 -16.862 4.552 244 HE ARG 33 HE ARG 33 -12.437 -17.543 2.570 245 1HH1 ARG 33 HH1 ARG 33 -12.992 -20.783 1.398 246 2HH1 ARG 33 HH1 ARG 33 -13.424 -19.114 1.236 247 1HH2 ARG 33 HH2 ARG 33 -11.410 -21.424 2.971 248 2HH2 ARG 33 HH2 ARG 33 -10.662 -20.233 3.982 249 H GLN 34 H GLN 34 -8.635 -12.962 2.679 250 HA GLN 34 HA GLN 34 -10.511 -11.772 4.130 251 1HB GLN 34 HB1 GLN 34 -8.832 -10.654 1.857 252 2HB GLN 34 HB2 GLN 34 -9.841 -9.616 2.845 253 1HG GLN 34 HG1 GLN 34 -8.122 -11.510 4.381 254 2HG GLN 34 HG2 GLN 34 -7.243 -10.306 3.461 255 1HE2 GLN 34 1HE2 GLN 34 -8.695 -10.978 6.337 256 2HE2 GLN 34 2HE2 GLN 34 -8.961 -9.383 6.961 257 H ARG 35 H ARG 35 -10.442 -11.400 0.505 258 HA ARG 35 HA ARG 35 -13.343 -11.210 0.675 259 1HB ARG 35 HB1 ARG 35 -11.372 -9.454 -0.549 260 2HB ARG 35 HB2 ARG 35 -12.416 -10.091 -1.804 261 1HG ARG 35 HG1 ARG 35 -14.253 -9.471 0.186 262 2HG ARG 35 HG2 ARG 35 -13.053 -8.213 0.410 263 1HD ARG 35 HD1 ARG 35 -13.455 -8.451 -2.420 264 2HD ARG 35 HD2 ARG 35 -15.048 -8.465 -1.691 265 HE ARG 35 HE ARG 35 -13.788 -6.393 -0.363 266 1HH1 ARG 35 HH1 ARG 35 -13.980 -3.814 -2.706 267 2HH1 ARG 35 HH1 ARG 35 -13.783 -4.208 -1.031 268 1HH2 ARG 35 HH2 ARG 35 -14.250 -5.506 -4.272 269 2HH2 ARG 35 HH2 ARG 35 -14.254 -7.162 -3.765 270 H TYR 36 H TYR 36 -11.315 -13.536 0.231 271 HA TYR 36 HA TYR 36 -12.813 -14.788 -1.865 272 1HB TYR 36 HB1 TYR 36 -9.769 -14.538 -2.131 273 2HB TYR 36 HB2 TYR 36 -10.900 -15.045 -3.370 274 HD1 TYR 36 HD1 TYR 36 -9.725 -12.097 -1.427 275 HD2 TYR 36 HD2 TYR 36 -11.885 -13.469 -4.856 276 HE1 TYR 36 HE1 TYR 36 -9.798 -9.725 -2.340 277 HE2 TYR 36 HE2 TYR 36 -11.950 -11.093 -5.757 278 HH TYR 36 HH TYR 36 -11.676 -8.953 -5.206 279 1HN NH2 37 HN1 NH2 237 -13.225 -15.949 0.158 280 2HN NH2 37 HN2 NH2 237 -12.128 -17.190 0.663 Start of MODEL 22 1 H TYR 1 H TYR 1 -12.408 -8.418 -11.692 2 HA TYR 1 HA TYR 1 -10.185 -8.961 -13.418 3 1HB TYR 1 HB1 TYR 1 -13.145 -8.662 -14.146 4 2HB TYR 1 HB2 TYR 1 -11.991 -9.787 -14.836 5 HD1 TYR 1 HD1 TYR 1 -11.171 -11.732 -13.393 6 HD2 TYR 1 HD2 TYR 1 -14.510 -9.286 -12.312 7 HE1 TYR 1 HE1 TYR 1 -11.983 -13.534 -11.795 8 HE2 TYR 1 HE2 TYR 1 -15.311 -11.096 -10.717 9 HH TYR 1 HH TYR 1 -14.044 -13.022 -9.400 10 HA PRO 2 HA PRO 2 -10.735 -4.590 -14.546 11 1HB PRO 2 HB1 PRO 2 -8.152 -3.769 -14.198 12 2HB PRO 2 HB2 PRO 2 -9.390 -3.585 -12.971 13 1HG PRO 2 HG1 PRO 2 -7.164 -5.527 -13.081 14 2HG PRO 2 HG2 PRO 2 -8.134 -5.046 -11.703 15 1HD PRO 2 HD1 PRO 2 -8.364 -7.484 -13.197 16 2HD PRO 2 HD2 PRO 2 -9.407 -6.950 -11.894 17 H SER 3 H SER 3 -9.708 -3.261 -16.325 18 HA SER 3 HA SER 3 -7.890 -4.434 -17.997 19 1HB SER 3 HB1 SER 3 -9.441 -5.143 -19.895 20 2HB SER 3 HB2 SER 3 -9.391 -6.225 -18.518 21 HG SER 3 HG SER 3 -11.359 -4.153 -18.521 22 H LYS 4 H LYS 4 -8.306 -1.876 -17.022 23 HA LYS 4 HA LYS 4 -9.112 -0.448 -19.455 24 1HB LYS 4 HB1 LYS 4 -9.567 0.790 -16.763 25 2HB LYS 4 HB2 LYS 4 -10.353 1.120 -18.293 26 1HG LYS 4 HG1 LYS 4 -11.539 -1.047 -18.201 27 2HG LYS 4 HG2 LYS 4 -10.679 -1.490 -16.740 28 1HD LYS 4 HD1 LYS 4 -11.873 0.023 -15.400 29 2HD LYS 4 HD2 LYS 4 -12.214 1.107 -16.734 30 1HE LYS 4 HE1 LYS 4 -13.707 -0.778 -17.701 31 2HE LYS 4 HE2 LYS 4 -13.532 -1.580 -16.153 32 1HZ LYS 4 HZ1 LYS 4 -14.738 0.010 -15.117 33 2HZ LYS 4 HZ2 LYS 4 -14.323 1.209 -16.146 34 3HZ LYS 4 HZ3 LYS 4 -15.439 0.102 -16.589 35 HA PRO 5 HA PRO 5 -4.873 0.582 -18.385 36 1HB PRO 5 HB1 PRO 5 -3.825 0.337 -20.897 37 2HB PRO 5 HB2 PRO 5 -3.824 -0.968 -19.727 38 1HG PRO 5 HG1 PRO 5 -5.535 -0.619 -22.113 39 2HG PRO 5 HG2 PRO 5 -5.221 -2.076 -21.191 40 1HD PRO 5 HD1 PRO 5 -7.590 -0.461 -21.095 41 2HD PRO 5 HD2 PRO 5 -7.227 -1.851 -20.091 42 H ASP 6 H ASP 6 -3.714 2.510 -18.524 43 HA ASP 6 HA ASP 6 -4.858 4.364 -20.430 44 1HB ASP 6 HB1 ASP 6 -5.094 6.116 -18.735 45 2HB ASP 6 HB2 ASP 6 -6.036 4.719 -18.255 46 H ASN 7 H ASN 7 -3.414 6.555 -20.227 47 HA ASN 7 HA ASN 7 -0.699 5.618 -20.325 48 1HB ASN 7 HB1 ASN 7 -0.232 7.826 -21.367 49 2HB ASN 7 HB2 ASN 7 -1.595 7.060 -22.160 50 1HD2 ASN 7 HD2 ASN 7 -0.484 9.888 -21.044 51 2HD2 ASN 7 HD2 ASN 7 -1.951 10.728 -20.665 52 HA PRO 8 HA PRO 8 0.259 7.538 -16.497 53 1HB PRO 8 HB1 PRO 8 2.972 7.791 -16.700 54 2HB PRO 8 HB2 PRO 8 2.180 6.291 -16.258 55 1HG PRO 8 HG1 PRO 8 3.435 7.037 -18.828 56 2HG PRO 8 HG2 PRO 8 3.028 5.442 -18.227 57 1HD PRO 8 HD1 PRO 8 1.591 6.952 -20.198 58 2HD PRO 8 HD2 PRO 8 1.122 5.409 -19.512 59 H GLY 9 H GLY 9 0.195 9.494 -15.516 60 1HA GLY 9 HA1 GLY 9 1.366 11.721 -15.703 61 2HA GLY 9 HA2 GLY 9 0.783 11.732 -17.355 62 H GLU 10 H GLU 10 -0.399 11.319 -13.946 63 HA GLU 10 HA GLU 10 -2.580 13.081 -14.634 64 1HB GLU 10 HB1 GLU 10 -3.995 11.309 -14.841 65 2HB GLU 10 HB2 GLU 10 -2.863 10.194 -14.102 66 1HG GLU 10 HG1 GLU 10 -3.634 10.624 -11.924 67 2HG GLU 10 HG2 GLU 10 -4.203 12.233 -12.324 68 H ASP 11 H ASP 11 -1.631 14.677 -13.292 69 HA ASP 11 HA ASP 11 -0.424 14.360 -10.939 70 1HB ASP 11 HB1 ASP 11 -1.474 16.492 -12.392 71 2HB ASP 11 HB2 ASP 11 -2.400 16.580 -10.907 72 H ALA 12 H ALA 12 -1.121 13.133 -9.176 73 HA ALA 12 HA ALA 12 -3.419 13.840 -7.745 74 1HB ALA 12 HB1 ALA 12 -3.772 11.091 -8.900 75 2HB ALA 12 HB2 ALA 12 -4.992 12.237 -8.293 76 3HB ALA 12 HB3 ALA 12 -4.249 12.491 -9.891 77 HA PRO 13 HA PRO 13 -1.239 11.498 -4.836 78 1HB PRO 13 HB1 PRO 13 -3.159 10.662 -3.080 79 2HB PRO 13 HB2 PRO 13 -2.504 12.287 -3.081 80 1HG PRO 13 HG1 PRO 13 -5.131 11.347 -4.057 81 2HG PRO 13 HG2 PRO 13 -4.627 12.978 -3.659 82 1HD PRO 13 HD1 PRO 13 -4.923 11.867 -6.287 83 2HD PRO 13 HD2 PRO 13 -4.309 13.459 -5.884 84 H ALA 14 H ALA 14 -3.496 9.958 -6.790 85 HA ALA 14 HA ALA 14 -3.078 7.337 -5.757 86 1HB ALA 14 HB1 ALA 14 -4.680 8.680 -7.772 87 2HB ALA 14 HB2 ALA 14 -3.945 7.205 -8.445 88 3HB ALA 14 HB3 ALA 14 -4.950 7.109 -6.979 89 H GLU 15 H GLU 15 -1.210 9.550 -7.640 90 HA GLU 15 HA GLU 15 0.111 7.552 -9.169 91 1HB GLU 15 HB1 GLU 15 -0.146 9.891 -9.971 92 2HB GLU 15 HB2 GLU 15 0.836 10.468 -8.639 93 1HG GLU 15 HG1 GLU 15 2.431 8.460 -9.776 94 2HG GLU 15 HG2 GLU 15 1.673 9.199 -11.173 95 H ASP 16 H ASP 16 0.427 8.997 -5.976 96 HA ASP 16 HA ASP 16 3.122 7.967 -5.747 97 1HB ASP 16 HB1 ASP 16 2.704 9.042 -3.325 98 2HB ASP 16 HB2 ASP 16 3.152 10.031 -4.701 99 H LEU 17 H LEU 17 -0.178 7.828 -4.236 100 HA LEU 17 HA LEU 17 0.492 5.865 -2.332 101 1HB LEU 17 HB1 LEU 17 -1.659 7.527 -2.900 102 2HB LEU 17 HB2 LEU 17 -2.297 5.917 -3.168 103 HG LEU 17 HG LEU 17 -0.963 5.631 -0.764 104 1HD1 LEU 17 HD1 LEU 17 -1.641 8.461 -1.126 105 2HD1 LEU 17 HD1 LEU 17 -2.321 7.742 0.353 106 3HD1 LEU 17 HD1 LEU 17 -0.568 7.673 0.055 107 1HD2 LEU 17 HD2 LEU 17 -3.276 4.870 -1.562 108 2HD2 LEU 17 HD2 LEU 17 -3.081 5.257 0.164 109 3HD2 LEU 17 HD2 LEU 17 -3.869 6.423 -0.926 110 H ALA 18 H ALA 18 0.222 5.751 -5.739 111 HA ALA 18 HA ALA 18 -1.017 3.322 -6.184 112 1HB ALA 18 HB1 ALA 18 1.092 3.543 -8.039 113 2HB ALA 18 HB2 ALA 18 -0.575 4.134 -8.235 114 3HB ALA 18 HB3 ALA 18 0.683 5.218 -7.595 115 H ARG 19 H ARG 19 2.456 4.075 -5.468 116 HA ARG 19 HA ARG 19 3.357 1.500 -5.685 117 1HB ARG 19 HB1 ARG 19 5.338 2.276 -4.562 118 2HB ARG 19 HB2 ARG 19 4.709 3.676 -5.407 119 1HG ARG 19 HG1 ARG 19 3.502 4.332 -3.249 120 2HG ARG 19 HG2 ARG 19 4.354 3.029 -2.445 121 1HD ARG 19 HD1 ARG 19 6.535 4.133 -3.394 122 2HD ARG 19 HD2 ARG 19 5.532 5.534 -3.708 123 HE ARG 19 HE ARG 19 6.337 4.506 -1.065 124 1HH1 ARG 19 HH1 ARG 19 4.779 7.158 0.585 125 2HH1 ARG 19 HH1 ARG 19 5.863 5.816 0.746 126 1HH2 ARG 19 HH2 ARG 19 3.808 7.624 -1.471 127 2HH2 ARG 19 HH2 ARG 19 4.168 6.631 -2.844 128 H TYR 20 H TYR 20 1.406 3.055 -3.214 129 HA TYR 20 HA TYR 20 2.016 1.015 -1.235 130 1HB TYR 20 HB1 TYR 20 1.720 3.195 -0.292 131 2HB TYR 20 HB2 TYR 20 0.549 3.660 -1.510 132 HD1 TYR 20 HD1 TYR 20 -1.828 2.952 -1.304 133 HD2 TYR 20 HD2 TYR 20 1.036 2.130 1.766 134 HE1 TYR 20 HE1 TYR 20 -3.712 2.484 0.338 135 HE2 TYR 20 HE2 TYR 20 -0.857 1.665 3.398 136 HH TYR 20 HH TYR 20 -3.401 0.831 3.011 137 H TYR 21 H TYR 21 -0.116 1.507 -3.892 138 HA TYR 21 HA TYR 21 -2.188 -0.169 -2.681 139 1HB TYR 21 HB1 TYR 21 -1.908 1.992 -4.682 140 2HB TYR 21 HB2 TYR 21 -2.727 0.619 -5.400 141 HD1 TYR 21 HD1 TYR 21 -4.706 -0.392 -3.921 142 HD2 TYR 21 HD2 TYR 21 -3.180 3.589 -3.569 143 HE1 TYR 21 HE1 TYR 21 -6.886 0.357 -2.846 144 HE2 TYR 21 HE2 TYR 21 -5.364 4.324 -2.496 145 HH TYR 21 HH TYR 21 -7.230 3.615 -1.551 146 H SER 22 H SER 22 0.399 -0.119 -5.112 147 HA SER 22 HA SER 22 -0.568 -2.430 -6.440 148 1HB SER 22 HB1 SER 22 0.950 -0.552 -7.382 149 2HB SER 22 HB2 SER 22 2.269 -1.338 -6.538 150 HG SER 22 HG SER 22 2.316 -2.913 -8.004 151 H ALA 23 H ALA 23 1.715 -1.661 -3.795 152 HA ALA 23 HA ALA 23 2.763 -4.336 -3.706 153 1HB ALA 23 HB1 ALA 23 4.039 -2.230 -3.124 154 2HB ALA 23 HB2 ALA 23 3.013 -2.083 -1.677 155 3HB ALA 23 HB3 ALA 23 4.083 -3.493 -1.871 156 H LEU 24 H LEU 24 0.072 -2.498 -2.355 157 HA LEU 24 HA LEU 24 -0.344 -4.121 -0.087 158 1HB LEU 24 HB1 LEU 24 -1.594 -2.354 0.317 159 2HB LEU 24 HB2 LEU 24 -1.528 -1.839 -1.357 160 HG LEU 24 HG LEU 24 -3.825 -2.069 -0.663 161 1HD1 LEU 24 HD1 LEU 24 -2.678 -3.439 -2.883 162 2HD1 LEU 24 HD1 LEU 24 -4.050 -4.400 -2.283 163 3HD1 LEU 24 HD1 LEU 24 -4.288 -2.695 -2.736 164 1HD2 LEU 24 HD2 LEU 24 -4.231 -4.840 -0.347 165 2HD2 LEU 24 HD2 LEU 24 -2.854 -4.413 0.697 166 3HD2 LEU 24 HD2 LEU 24 -4.405 -3.557 0.875 167 H ARG 25 H ARG 25 -0.675 -4.692 -3.464 168 HA ARG 25 HA ARG 25 -2.852 -6.505 -3.171 169 1HB ARG 25 HB1 ARG 25 -1.128 -5.488 -5.413 170 2HB ARG 25 HB2 ARG 25 -1.838 -7.072 -5.650 171 1HG ARG 25 HG1 ARG 25 -4.076 -5.903 -4.843 172 2HG ARG 25 HG2 ARG 25 -3.241 -4.416 -5.246 173 1HD ARG 25 HD1 ARG 25 -2.753 -5.451 -7.557 174 2HD ARG 25 HD2 ARG 25 -3.852 -6.745 -7.121 175 HE ARG 25 HE ARG 25 -5.682 -5.254 -7.291 176 1HH1 ARG 25 HH1 ARG 25 -5.683 -1.927 -8.344 177 2HH1 ARG 25 HH1 ARG 25 -6.660 -3.316 -8.005 178 1HH2 ARG 25 HH2 ARG 25 -3.380 -2.035 -8.075 179 2HH2 ARG 25 HH2 ARG 25 -2.639 -3.504 -7.534 180 H HIS 26 H HIS 26 0.628 -6.795 -4.231 181 HA HIS 26 HA HIS 26 0.696 -9.558 -4.174 182 1HB HIS 26 HB1 HIS 26 2.412 -7.513 -4.861 183 2HB HIS 26 HB2 HIS 26 3.215 -8.211 -3.468 184 HD1 HIS 26 HD1 HIS 26 4.414 -10.436 -3.782 185 HD2 HIS 26 HD2 HIS 26 2.016 -9.384 -7.059 186 HE1 HIS 26 HE1 HIS 26 4.963 -12.103 -5.634 187 H TYR 27 H TYR 27 0.659 -7.200 -1.587 188 HA TYR 27 HA TYR 27 1.825 -8.997 0.343 189 1HB TYR 27 HB1 TYR 27 2.194 -6.660 0.748 190 2HB TYR 27 HB2 TYR 27 0.614 -6.214 0.134 191 HD1 TYR 27 HD1 TYR 27 -0.564 -5.092 1.788 192 HD2 TYR 27 HD2 TYR 27 1.687 -8.568 2.860 193 HE1 TYR 27 HE1 TYR 27 -1.439 -4.932 4.169 194 HE2 TYR 27 HE2 TYR 27 0.804 -8.397 5.238 195 HH TYR 27 HH TYR 27 -0.251 -7.119 6.676 196 H ILE 28 H ILE 28 -1.437 -7.727 -0.546 197 HA ILE 28 HA ILE 28 -2.658 -9.247 1.574 198 HB ILE 28 HB ILE 28 -3.671 -7.410 -0.582 199 1HG1 ILE 28 1HG1 ILE 28 -2.613 -6.312 1.297 200 2HG1 ILE 28 2HG1 ILE 28 -4.341 -6.026 1.336 201 1HG2 ILE 28 1HG2 ILE 28 -5.281 -9.112 1.333 202 2HG2 ILE 28 2HG2 ILE 28 -5.923 -7.675 0.501 203 3HG2 ILE 28 3HG2 ILE 28 -5.367 -9.077 -0.444 204 1HD1 ILE 28 1HD1 ILE 28 -2.718 -7.920 3.074 205 2HD1 ILE 28 2HD1 ILE 28 -3.768 -6.576 3.584 206 3HD1 ILE 28 3HD1 ILE 28 -4.487 -8.067 2.932 207 H ASN 29 H ASN 29 -1.385 -9.935 -1.485 208 HA ASN 29 HA ASN 29 -3.295 -11.498 -2.644 209 1HB ASN 29 HB1 ASN 29 -1.162 -10.928 -3.756 210 2HB ASN 29 HB2 ASN 29 -0.252 -11.837 -2.566 211 1HD2 ASN 29 HD2 ASN 29 0.592 -12.879 -4.501 212 2HD2 ASN 29 HD2 ASN 29 -0.239 -14.238 -5.181 213 H LEU 30 H LEU 30 -1.341 -11.974 0.247 214 HA LEU 30 HA LEU 30 -1.608 -14.834 0.268 215 1HB LEU 30 HB1 LEU 30 0.223 -14.525 1.458 216 2HB LEU 30 HB2 LEU 30 -0.094 -12.811 1.647 217 HG LEU 30 HG LEU 30 -1.658 -13.413 3.553 218 1HD1 LEU 30 HD1 LEU 30 -0.355 -15.936 4.143 219 2HD1 LEU 30 HD1 LEU 30 -2.085 -15.518 4.122 220 3HD1 LEU 30 HD1 LEU 30 -1.270 -16.015 2.619 221 1HD2 LEU 30 HD2 LEU 30 0.154 -12.565 4.547 222 2HD2 LEU 30 HD2 LEU 30 0.578 -14.255 4.914 223 3HD2 LEU 30 HD2 LEU 30 1.273 -13.453 3.484 224 H ALA 31 H ALA 31 -3.577 -12.105 1.036 225 HA ALA 31 HA ALA 31 -5.068 -13.506 3.084 226 1HB ALA 31 HB1 ALA 31 -5.447 -11.381 3.702 227 2HB ALA 31 HB2 ALA 31 -4.650 -10.782 2.227 228 3HB ALA 31 HB3 ALA 31 -6.393 -11.142 2.213 229 1HN AIB 32 1HN AIB 32 -5.320 -15.282 1.259 230 1HB1 AIB 32 1HB1 AIB 32 -5.456 -16.884 -0.098 231 2HB1 AIB 32 2HB1 AIB 32 -6.205 -16.549 -1.681 232 3HB1 AIB 32 3HB1 AIB 32 -7.061 -17.556 -0.501 233 1HB2 AIB 32 1HB2 AIB 32 -7.858 -14.921 -1.997 234 2HB2 AIB 32 2HB2 AIB 32 -6.698 -13.728 -1.389 235 3HB2 AIB 32 3HB2 AIB 32 -8.344 -13.792 -0.702 236 H ARG 33 H ARG 33 -7.122 -16.660 2.335 237 HA ARG 33 HA ARG 33 -10.027 -16.467 2.350 238 1HB ARG 33 HB1 ARG 33 -8.634 -18.748 3.760 239 2HB ARG 33 HB2 ARG 33 -10.246 -18.700 3.077 240 1HG ARG 33 HG1 ARG 33 -7.688 -18.660 1.408 241 2HG ARG 33 HG2 ARG 33 -8.602 -20.113 1.760 242 1HD ARG 33 HD1 ARG 33 -9.925 -17.694 0.467 243 2HD ARG 33 HD2 ARG 33 -9.084 -18.892 -0.496 244 HE ARG 33 HE ARG 33 -11.062 -20.002 1.386 245 1HH1 ARG 33 HH1 ARG 33 -13.178 -20.977 -1.212 246 2HH1 ARG 33 HH1 ARG 33 -12.847 -21.107 0.483 247 1HH2 ARG 33 HH2 ARG 33 -11.809 -19.680 -2.566 248 2HH2 ARG 33 HH2 ARG 33 -10.456 -18.842 -1.880 249 H GLN 34 H GLN 34 -6.943 -16.667 4.200 250 HA GLN 34 HA GLN 34 -7.897 -16.504 6.729 251 1HB GLN 34 HB1 GLN 34 -5.460 -16.676 5.816 252 2HB GLN 34 HB2 GLN 34 -5.467 -14.924 5.824 253 1HG GLN 34 HG1 GLN 34 -4.697 -15.238 7.977 254 2HG GLN 34 HG2 GLN 34 -6.412 -15.316 8.328 255 1HE2 GLN 34 1HE2 GLN 34 -6.035 -16.597 10.129 256 2HE2 GLN 34 2HE2 GLN 34 -5.651 -18.283 10.026 257 H ARG 35 H ARG 35 -8.105 -14.134 4.181 258 HA ARG 35 HA ARG 35 -8.439 -11.966 6.022 259 1HB ARG 35 HB1 ARG 35 -7.616 -12.161 3.355 260 2HB ARG 35 HB2 ARG 35 -9.240 -11.519 3.197 261 1HG ARG 35 HG1 ARG 35 -7.962 -10.116 5.367 262 2HG ARG 35 HG2 ARG 35 -6.838 -10.140 4.023 263 1HD ARG 35 HD1 ARG 35 -8.135 -8.738 2.747 264 2HD ARG 35 HD2 ARG 35 -9.624 -9.546 3.194 265 HE ARG 35 HE ARG 35 -8.476 -8.015 5.403 266 1HH1 ARG 35 HH1 ARG 35 -10.829 -5.453 5.124 267 2HH1 ARG 35 HH1 ARG 35 -9.594 -6.154 6.116 268 1HH2 ARG 35 HH2 ARG 35 -11.349 -6.405 3.072 269 2HH2 ARG 35 HH2 ARG 35 -10.501 -7.815 2.532 270 H TYR 36 H TYR 36 -10.306 -14.440 5.809 271 HA TYR 36 HA TYR 36 -12.744 -12.955 6.055 272 1HB TYR 36 HB1 TYR 36 -12.559 -15.225 4.003 273 2HB TYR 36 HB2 TYR 36 -13.846 -14.047 4.162 274 HD1 TYR 36 HD1 TYR 36 -13.688 -11.864 3.129 275 HD2 TYR 36 HD2 TYR 36 -10.403 -14.599 2.941 276 HE1 TYR 36 HE1 TYR 36 -12.590 -10.434 1.336 277 HE2 TYR 36 HE2 TYR 36 -9.317 -13.160 1.149 278 HH TYR 36 HH TYR 36 -10.136 -11.531 -0.591 279 1HN NH2 37 HN1 NH2 237 -11.453 -16.227 5.406 280 2HN NH2 37 HN2 NH2 237 -12.215 -17.011 6.750 Start of MODEL 23 1 H TYR 1 H TYR 1 0.625 29.050 -2.464 2 HA TYR 1 HA TYR 1 1.010 28.038 -4.827 3 1HB TYR 1 HB1 TYR 1 -1.268 30.045 -5.238 4 2HB TYR 1 HB2 TYR 1 -0.684 28.854 -6.383 5 HD1 TYR 1 HD1 TYR 1 -2.794 29.402 -3.416 6 HD2 TYR 1 HD2 TYR 1 -1.430 26.533 -6.283 7 HE1 TYR 1 HE1 TYR 1 -4.629 27.797 -2.694 8 HE2 TYR 1 HE2 TYR 1 -3.269 24.938 -5.551 9 HH TYR 1 HH TYR 1 -5.775 25.518 -4.333 10 HA PRO 2 HA PRO 2 3.035 31.978 -4.151 11 1HB PRO 2 HB1 PRO 2 5.599 31.071 -4.413 12 2HB PRO 2 HB2 PRO 2 4.773 31.178 -2.871 13 1HG PRO 2 HG1 PRO 2 5.364 28.779 -4.495 14 2HG PRO 2 HG2 PRO 2 4.937 28.878 -2.798 15 1HD PRO 2 HD1 PRO 2 3.221 28.088 -4.956 16 2HD PRO 2 HD2 PRO 2 2.764 28.299 -3.278 17 H SER 3 H SER 3 4.526 29.713 -6.427 18 HA SER 3 HA SER 3 3.578 31.100 -8.633 19 1HB SER 3 HB1 SER 3 5.140 32.875 -7.901 20 2HB SER 3 HB2 SER 3 6.466 31.729 -7.877 21 HG SER 3 HG SER 3 5.122 32.905 -10.102 22 H LYS 4 H LYS 4 6.234 29.164 -7.159 23 HA LYS 4 HA LYS 4 5.791 26.851 -8.430 24 1HB LYS 4 HB1 LYS 4 6.084 27.256 -10.617 25 2HB LYS 4 HB2 LYS 4 6.894 28.784 -10.335 26 1HG LYS 4 HG1 LYS 4 9.026 27.744 -10.039 27 2HG LYS 4 HG2 LYS 4 8.320 26.165 -9.757 28 1HD LYS 4 HD1 LYS 4 7.816 25.828 -12.052 29 2HD LYS 4 HD2 LYS 4 7.863 27.541 -12.418 30 1HE LYS 4 HE1 LYS 4 9.878 26.448 -13.315 31 2HE LYS 4 HE2 LYS 4 10.332 27.565 -12.044 32 1HZ LYS 4 HZ1 LYS 4 10.448 24.696 -12.065 33 2HZ LYS 4 HZ2 LYS 4 11.407 25.773 -11.298 34 3HZ LYS 4 HZ3 LYS 4 9.966 25.357 -10.651 35 HA PRO 5 HA PRO 5 10.245 27.179 -6.896 36 1HB PRO 5 HB1 PRO 5 11.342 29.620 -6.339 37 2HB PRO 5 HB2 PRO 5 11.576 28.790 -7.865 38 1HG PRO 5 HG1 PRO 5 9.851 31.114 -7.265 39 2HG PRO 5 HG2 PRO 5 10.423 30.544 -8.820 40 1HD PRO 5 HD1 PRO 5 7.794 30.198 -7.726 41 2HD PRO 5 HD2 PRO 5 8.400 29.530 -9.228 42 H ASP 6 H ASP 6 8.989 26.174 -5.231 43 HA ASP 6 HA ASP 6 9.651 27.263 -2.773 44 1HB ASP 6 HB1 ASP 6 7.559 28.677 -3.686 45 2HB ASP 6 HB2 ASP 6 6.650 27.286 -3.130 46 H ASN 7 H ASN 7 6.897 25.517 -4.416 47 HA ASN 7 HA ASN 7 5.910 23.619 -3.964 48 1HB ASN 7 HB1 ASN 7 7.936 22.822 -5.173 49 2HB ASN 7 HB2 ASN 7 8.828 22.733 -3.667 50 1HD2 ASN 7 HD2 ASN 7 8.823 20.532 -5.068 51 2HD2 ASN 7 HD2 ASN 7 7.776 19.307 -4.431 52 HA PRO 8 HA PRO 8 6.226 23.765 0.545 53 1HB PRO 8 HB1 PRO 8 3.544 23.851 1.063 54 2HB PRO 8 HB2 PRO 8 4.530 25.288 0.870 55 1HG PRO 8 HG1 PRO 8 2.592 24.102 -1.021 56 2HG PRO 8 HG2 PRO 8 3.255 25.724 -1.002 57 1HD PRO 8 HD1 PRO 8 4.012 23.581 -2.752 58 2HD PRO 8 HD2 PRO 8 4.753 25.165 -2.654 59 H GLY 9 H GLY 9 3.954 21.820 -1.301 60 1HA GLY 9 HA1 GLY 9 4.967 19.378 -0.576 61 2HA GLY 9 HA2 GLY 9 3.833 19.776 0.699 62 H GLU 10 H GLU 10 3.938 20.178 -2.922 63 HA GLU 10 HA GLU 10 1.297 18.935 -2.938 64 1HB GLU 10 HB1 GLU 10 2.113 20.896 -5.081 65 2HB GLU 10 HB2 GLU 10 0.506 20.477 -4.522 66 1HG GLU 10 HG1 GLU 10 1.566 21.515 -2.208 67 2HG GLU 10 HG2 GLU 10 2.454 22.446 -3.398 68 H ASP 11 H ASP 11 2.728 16.934 -3.140 69 HA ASP 11 HA ASP 11 4.057 16.715 -5.673 70 1HB ASP 11 HB1 ASP 11 4.033 15.293 -3.098 71 2HB ASP 11 HB2 ASP 11 3.951 14.170 -4.441 72 H ALA 12 H ALA 12 3.119 15.699 -7.478 73 HA ALA 12 HA ALA 12 0.509 15.325 -7.836 74 1HB ALA 12 HB1 ALA 12 2.935 14.581 -9.147 75 2HB ALA 12 HB2 ALA 12 1.848 13.172 -9.197 76 3HB ALA 12 HB3 ALA 12 1.307 14.737 -9.850 77 HA PRO 13 HA PRO 13 -0.161 12.053 -4.916 78 1HB PRO 13 HB1 PRO 13 -2.772 12.655 -4.378 79 2HB PRO 13 HB2 PRO 13 -1.427 13.331 -3.480 80 1HG PRO 13 HG1 PRO 13 -3.128 14.623 -5.524 81 2HG PRO 13 HG2 PRO 13 -2.084 15.372 -4.331 82 1HD PRO 13 HD1 PRO 13 -1.540 15.055 -7.129 83 2HD PRO 13 HD2 PRO 13 -0.451 15.698 -5.916 84 H ALA 14 H ALA 14 0.092 10.256 -6.168 85 HA ALA 14 HA ALA 14 -2.191 8.891 -6.856 86 1HB ALA 14 HB1 ALA 14 -1.191 9.483 -9.514 87 2HB ALA 14 HB2 ALA 14 -2.846 9.629 -8.875 88 3HB ALA 14 HB3 ALA 14 -1.703 10.982 -8.701 89 H GLU 15 H GLU 15 1.201 9.702 -7.756 90 HA GLU 15 HA GLU 15 1.727 7.010 -8.506 91 1HB GLU 15 HB1 GLU 15 2.862 9.057 -9.493 92 2HB GLU 15 HB2 GLU 15 3.708 9.265 -7.973 93 1HG GLU 15 HG1 GLU 15 4.332 6.673 -8.375 94 2HG GLU 15 HG2 GLU 15 4.033 7.102 -10.048 95 H ASP 16 H ASP 16 1.509 8.758 -5.546 96 HA ASP 16 HA ASP 16 3.424 7.054 -4.229 97 1HB ASP 16 HB1 ASP 16 1.591 9.200 -3.063 98 2HB ASP 16 HB2 ASP 16 2.942 8.445 -2.240 99 H LEU 17 H LEU 17 -0.060 7.579 -4.720 100 HA LEU 17 HA LEU 17 -0.827 5.862 -2.542 101 1HB LEU 17 HB1 LEU 17 -2.013 7.924 -3.947 102 2HB LEU 17 HB2 LEU 17 -2.846 6.507 -4.555 103 HG LEU 17 HG LEU 17 -3.965 7.625 -2.628 104 1HD1 LEU 17 HD1 LEU 17 -3.273 4.765 -2.811 105 2HD1 LEU 17 HD1 LEU 17 -3.895 5.290 -1.227 106 3HD1 LEU 17 HD1 LEU 17 -4.859 5.567 -2.698 107 1HD2 LEU 17 HD2 LEU 17 -1.842 6.467 -0.835 108 2HD2 LEU 17 HD2 LEU 17 -1.699 8.115 -1.492 109 3HD2 LEU 17 HD2 LEU 17 -3.092 7.681 -0.473 110 H ALA 18 H ALA 18 -0.360 5.698 -6.086 111 HA ALA 18 HA ALA 18 -1.609 3.211 -6.446 112 1HB ALA 18 HB1 ALA 18 -1.007 4.920 -8.208 113 2HB ALA 18 HB2 ALA 18 0.690 4.415 -8.033 114 3HB ALA 18 HB3 ALA 18 -0.530 3.252 -8.605 115 H ARG 19 H ARG 19 1.824 4.177 -5.804 116 HA ARG 19 HA ARG 19 2.872 1.654 -5.968 117 1HB ARG 19 HB1 ARG 19 4.733 2.587 -4.532 118 2HB ARG 19 HB2 ARG 19 4.304 3.635 -5.869 119 1HG ARG 19 HG1 ARG 19 3.012 5.102 -4.420 120 2HG ARG 19 HG2 ARG 19 3.107 3.971 -3.085 121 1HD ARG 19 HD1 ARG 19 4.780 5.548 -2.537 122 2HD ARG 19 HD2 ARG 19 5.707 4.262 -3.284 123 HE ARG 19 HE ARG 19 4.962 5.986 -5.386 124 1HH1 ARG 19 HH1 ARG 19 7.610 8.251 -5.189 125 2HH1 ARG 19 HH1 ARG 19 6.344 7.620 -6.189 126 1HH2 ARG 19 HH2 ARG 19 7.903 7.437 -3.036 127 2HH2 ARG 19 HH2 ARG 19 6.855 6.199 -2.428 128 H TYR 20 H TYR 20 0.867 3.162 -3.507 129 HA TYR 20 HA TYR 20 1.612 1.211 -1.486 130 1HB TYR 20 HB1 TYR 20 1.194 3.394 -0.596 131 2HB TYR 20 HB2 TYR 20 -0.015 3.755 -1.813 132 HD1 TYR 20 HD1 TYR 20 0.505 1.459 1.112 133 HD2 TYR 20 HD2 TYR 20 -2.252 3.795 -1.179 134 HE1 TYR 20 HE1 TYR 20 -1.340 0.927 2.778 135 HE2 TYR 20 HE2 TYR 20 -4.088 3.255 0.494 136 HH TYR 20 HH TYR 20 -4.607 1.547 2.105 137 H TYR 21 H TYR 21 -0.577 1.510 -4.129 138 HA TYR 21 HA TYR 21 -2.532 -0.254 -2.852 139 1HB TYR 21 HB1 TYR 21 -2.396 1.860 -4.917 140 2HB TYR 21 HB2 TYR 21 -3.139 0.422 -5.588 141 HD1 TYR 21 HD1 TYR 21 -5.442 0.646 -5.668 142 HD2 TYR 21 HD2 TYR 21 -3.352 2.104 -2.231 143 HE1 TYR 21 HE1 TYR 21 -7.652 1.291 -4.588 144 HE2 TYR 21 HE2 TYR 21 -5.569 2.744 -1.163 145 HH TYR 21 HH TYR 21 -8.012 3.372 -2.330 146 H SER 22 H SER 22 0.023 -0.119 -5.316 147 HA SER 22 HA SER 22 -0.814 -2.521 -6.566 148 1HB SER 22 HB1 SER 22 1.359 -0.531 -6.871 149 2HB SER 22 HB2 SER 22 1.856 -2.166 -7.258 150 HG SER 22 HG SER 22 0.736 -2.069 -9.077 151 H ALA 23 H ALA 23 1.445 -1.544 -3.970 152 HA ALA 23 HA ALA 23 2.645 -4.151 -3.815 153 1HB ALA 23 HB1 ALA 23 3.609 -3.040 -1.671 154 2HB ALA 23 HB2 ALA 23 4.085 -2.372 -3.251 155 3HB ALA 23 HB3 ALA 23 2.842 -1.552 -2.275 156 H LEU 24 H LEU 24 -0.161 -2.463 -2.539 157 HA LEU 24 HA LEU 24 -0.447 -4.040 -0.204 158 1HB LEU 24 HB1 LEU 24 -1.759 -2.311 0.182 159 2HB LEU 24 HB2 LEU 24 -1.769 -1.846 -1.508 160 HG LEU 24 HG LEU 24 -4.029 -2.172 -0.726 161 1HD1 LEU 24 HD1 LEU 24 -4.531 -2.873 -2.766 162 2HD1 LEU 24 HD1 LEU 24 -2.886 -3.526 -2.955 163 3HD1 LEU 24 HD1 LEU 24 -4.179 -4.551 -2.288 164 1HD2 LEU 24 HD2 LEU 24 -4.292 -4.947 -0.337 165 2HD2 LEU 24 HD2 LEU 24 -2.894 -4.440 0.642 166 3HD2 LEU 24 HD2 LEU 24 -4.472 -3.649 0.868 167 H ARG 25 H ARG 25 -0.798 -4.685 -3.565 168 HA ARG 25 HA ARG 25 -2.884 -6.593 -3.207 169 1HB ARG 25 HB1 ARG 25 -1.191 -5.612 -5.510 170 2HB ARG 25 HB2 ARG 25 -1.981 -7.166 -5.687 171 1HG ARG 25 HG1 ARG 25 -3.422 -4.584 -4.916 172 2HG ARG 25 HG2 ARG 25 -3.356 -5.227 -6.545 173 1HD ARG 25 HD1 ARG 25 -4.296 -7.445 -5.407 174 2HD ARG 25 HD2 ARG 25 -4.785 -6.356 -4.124 175 HE ARG 25 HE ARG 25 -6.448 -5.491 -5.525 176 1HH1 ARG 25 HH1 ARG 25 -7.043 -5.980 -8.928 177 2HH1 ARG 25 HH1 ARG 25 -7.659 -5.311 -7.454 178 1HH2 ARG 25 HH2 ARG 25 -4.988 -7.058 -8.944 179 2HH2 ARG 25 HH2 ARG 25 -4.070 -7.194 -7.481 180 H HIS 26 H HIS 26 0.596 -6.724 -4.297 181 HA HIS 26 HA HIS 26 0.795 -9.484 -4.206 182 1HB HIS 26 HB1 HIS 26 2.398 -7.375 -4.958 183 2HB HIS 26 HB2 HIS 26 3.255 -7.999 -3.563 184 HD1 HIS 26 HD1 HIS 26 2.431 -8.770 -7.116 185 HD2 HIS 26 HD2 HIS 26 4.200 -10.707 -3.843 186 HE1 HIS 26 HE1 HIS 26 3.614 -10.826 -8.056 187 H TYR 27 H TYR 27 0.678 -7.089 -1.658 188 HA TYR 27 HA TYR 27 1.965 -8.787 0.284 189 1HB TYR 27 HB1 TYR 27 2.210 -6.424 0.638 190 2HB TYR 27 HB2 TYR 27 0.594 -6.080 0.052 191 HD1 TYR 27 HD1 TYR 27 -0.476 -4.895 1.755 192 HD2 TYR 27 HD2 TYR 27 1.722 -8.428 2.749 193 HE1 TYR 27 HE1 TYR 27 -1.309 -4.748 4.152 194 HE2 TYR 27 HE2 TYR 27 0.882 -8.269 5.143 195 HH TYR 27 HH TYR 27 -0.108 -5.803 6.543 196 H ILE 28 H ILE 28 -1.375 -7.704 -0.569 197 HA ILE 28 HA ILE 28 -2.485 -9.244 1.593 198 HB ILE 28 HB ILE 28 -3.612 -7.515 -0.592 199 1HG1 ILE 28 1HG1 ILE 28 -2.629 -6.325 1.268 200 2HG1 ILE 28 2HG1 ILE 28 -4.372 -6.150 1.310 201 1HG2 ILE 28 1HG2 ILE 28 -5.176 -9.336 -0.395 202 2HG2 ILE 28 2HG2 ILE 28 -5.152 -9.222 1.381 203 3HG2 ILE 28 3HG2 ILE 28 -5.849 -7.900 0.414 204 1HD1 ILE 28 1HD1 ILE 28 -4.023 -8.435 2.834 205 2HD1 ILE 28 2HD1 ILE 28 -2.564 -7.497 3.234 206 3HD1 ILE 28 3HD1 ILE 28 -4.177 -6.788 3.493 207 H ASN 29 H ASN 29 -1.228 -9.921 -1.486 208 HA ASN 29 HA ASN 29 -3.051 -11.631 -2.567 209 1HB ASN 29 HB1 ASN 29 -0.873 -10.890 -3.620 210 2HB ASN 29 HB2 ASN 29 -0.002 -11.950 -2.528 211 1HD2 ASN 29 HD2 ASN 29 0.738 -12.721 -4.688 212 2HD2 ASN 29 HD2 ASN 29 -0.137 -14.011 -5.445 213 H LEU 30 H LEU 30 -1.182 -11.874 0.369 214 HA LEU 30 HA LEU 30 -1.226 -14.761 0.446 215 1HB LEU 30 HB1 LEU 30 0.558 -14.393 1.676 216 2HB LEU 30 HB2 LEU 30 0.261 -12.666 1.666 217 HG LEU 30 HG LEU 30 -1.381 -13.132 3.613 218 1HD1 LEU 30 HD1 LEU 30 0.213 -15.409 4.498 219 2HD1 LEU 30 HD1 LEU 30 -1.550 -15.161 4.516 220 3HD1 LEU 30 HD1 LEU 30 -0.751 -15.768 3.045 221 1HD2 LEU 30 HD2 LEU 30 1.599 -13.474 4.047 222 2HD2 LEU 30 HD2 LEU 30 0.749 -11.926 3.823 223 3HD2 LEU 30 HD2 LEU 30 0.406 -12.931 5.251 224 H ALA 31 H ALA 31 -3.312 -12.104 1.192 225 HA ALA 31 HA ALA 31 -5.092 -13.971 2.560 226 1HB ALA 31 HB1 ALA 31 -5.027 -12.874 4.522 227 2HB ALA 31 HB2 ALA 31 -3.627 -11.967 3.900 228 3HB ALA 31 HB3 ALA 31 -5.270 -11.307 3.713 229 1HN AIB 32 1HN AIB 32 -6.066 -13.978 0.382 230 1HB1 AIB 32 1HB1 AIB 32 -6.409 -10.703 -1.165 231 2HB1 AIB 32 2HB1 AIB 32 -7.359 -11.531 -2.427 232 3HB1 AIB 32 3HB1 AIB 32 -5.790 -12.191 -1.935 233 1HB2 AIB 32 1HB2 AIB 32 -8.064 -10.643 0.523 234 2HB2 AIB 32 2HB2 AIB 32 -8.670 -12.110 1.310 235 3HB2 AIB 32 3HB2 AIB 32 -9.363 -11.593 -0.251 236 H ARG 33 H ARG 33 -7.589 -15.000 0.439 237 HA ARG 33 HA ARG 33 -9.658 -15.673 -1.376 238 1HB ARG 33 HB1 ARG 33 -8.247 -16.352 -3.057 239 2HB ARG 33 HB2 ARG 33 -6.843 -16.328 -2.008 240 1HG ARG 33 HG1 ARG 33 -7.283 -18.538 -1.174 241 2HG ARG 33 HG2 ARG 33 -8.930 -18.529 -1.775 242 1HD ARG 33 HD1 ARG 33 -7.394 -18.083 -4.090 243 2HD ARG 33 HD2 ARG 33 -6.432 -19.233 -3.182 244 HE ARG 33 HE ARG 33 -9.039 -19.728 -4.413 245 1HH1 ARG 33 HH1 ARG 33 -9.217 -22.993 -3.194 246 2HH1 ARG 33 HH1 ARG 33 -9.889 -21.846 -4.305 247 1HH2 ARG 33 HH2 ARG 33 -7.453 -22.378 -1.817 248 2HH2 ARG 33 HH2 ARG 33 -6.810 -20.772 -1.899 249 H GLN 34 H GLN 34 -7.036 -16.806 0.846 250 HA GLN 34 HA GLN 34 -8.082 -19.206 1.556 251 1HB GLN 34 HB1 GLN 34 -5.865 -17.972 2.248 252 2HB GLN 34 HB2 GLN 34 -6.796 -17.390 3.614 253 1HG GLN 34 HG1 GLN 34 -7.471 -19.996 3.800 254 2HG GLN 34 HG2 GLN 34 -5.954 -20.207 2.949 255 1HE2 GLN 34 1HE2 GLN 34 -7.007 -20.646 5.787 256 2HE2 GLN 34 2HE2 GLN 34 -5.787 -19.984 6.823 257 H ARG 35 H ARG 35 -9.330 -16.013 2.198 258 HA ARG 35 HA ARG 35 -10.880 -16.942 4.431 259 1HB ARG 35 HB1 ARG 35 -9.817 -14.468 3.752 260 2HB ARG 35 HB2 ARG 35 -11.487 -14.265 3.262 261 1HG ARG 35 HG1 ARG 35 -12.309 -14.759 5.479 262 2HG ARG 35 HG2 ARG 35 -10.756 -15.383 5.999 263 1HD ARG 35 HD1 ARG 35 -10.693 -13.238 6.936 264 2HD ARG 35 HD2 ARG 35 -9.878 -12.946 5.412 265 HE ARG 35 HE ARG 35 -11.717 -11.680 4.678 266 1HH1 ARG 35 HH1 ARG 35 -14.762 -11.035 6.256 267 2HH1 ARG 35 HH1 ARG 35 -13.719 -10.610 4.940 268 1HH2 ARG 35 HH2 ARG 35 -14.127 -12.692 7.751 269 2HH2 ARG 35 HH2 ARG 35 -12.610 -13.504 7.552 270 H TYR 36 H TYR 36 -11.185 -17.945 1.535 271 HA TYR 36 HA TYR 36 -14.054 -17.844 1.501 272 1HB TYR 36 HB1 TYR 36 -12.473 -16.954 -0.969 273 2HB TYR 36 HB2 TYR 36 -14.186 -16.733 -0.671 274 HD1 TYR 36 HD1 TYR 36 -15.010 -14.797 0.464 275 HD2 TYR 36 HD2 TYR 36 -10.802 -15.546 0.289 276 HE1 TYR 36 HE1 TYR 36 -14.550 -12.453 1.334 277 HE2 TYR 36 HE2 TYR 36 -10.355 -13.199 1.159 278 HH TYR 36 HH TYR 36 -11.994 -10.871 0.980 279 1HN NH2 37 HN1 NH2 237 -11.250 -18.463 -0.634 280 2HN NH2 37 HN2 NH2 237 -11.648 -20.106 -1.011 Start of MODEL 24 1 H TYR 1 H TYR 1 -4.742 10.485 -14.274 2 HA TYR 1 HA TYR 1 -6.839 9.515 -12.456 3 1HB TYR 1 HB1 TYR 1 -5.774 8.017 -14.899 4 2HB TYR 1 HB2 TYR 1 -7.316 7.793 -14.098 5 HD1 TYR 1 HD1 TYR 1 -9.094 9.623 -14.350 6 HD2 TYR 1 HD2 TYR 1 -5.575 9.444 -16.777 7 HE1 TYR 1 HE1 TYR 1 -10.202 11.121 -16.080 8 HE2 TYR 1 HE2 TYR 1 -6.695 10.942 -18.499 9 HH TYR 1 HH TYR 1 -8.467 12.038 -19.046 10 HA PRO 2 HA PRO 2 -3.654 7.204 -10.663 11 1HB PRO 2 HB1 PRO 2 -5.002 5.073 -9.610 12 2HB PRO 2 HB2 PRO 2 -4.960 6.651 -8.849 13 1HG PRO 2 HG1 PRO 2 -7.165 5.374 -10.348 14 2HG PRO 2 HG2 PRO 2 -7.232 6.729 -9.239 15 1HD PRO 2 HD1 PRO 2 -7.343 6.848 -12.103 16 2HD PRO 2 HD2 PRO 2 -7.293 8.208 -10.998 17 H SER 3 H SER 3 -2.688 4.865 -10.398 18 HA SER 3 HA SER 3 -1.920 3.070 -11.369 19 1HB SER 3 HB1 SER 3 -4.477 3.315 -12.624 20 2HB SER 3 HB2 SER 3 -3.335 2.941 -13.901 21 HG SER 3 HG SER 3 -3.405 1.455 -11.424 22 H LYS 4 H LYS 4 -2.885 5.367 -14.032 23 HA LYS 4 HA LYS 4 -0.735 4.912 -15.674 24 1HB LYS 4 HB1 LYS 4 -2.188 6.194 -16.803 25 2HB LYS 4 HB2 LYS 4 -2.814 6.949 -15.351 26 1HG LYS 4 HG1 LYS 4 -1.135 8.626 -15.335 27 2HG LYS 4 HG2 LYS 4 -0.042 7.685 -16.330 28 1HD LYS 4 HD1 LYS 4 -1.207 8.176 -18.325 29 2HD LYS 4 HD2 LYS 4 -2.709 8.517 -17.489 30 1HE LYS 4 HE1 LYS 4 -1.904 10.651 -16.692 31 2HE LYS 4 HE2 LYS 4 -0.246 10.269 -17.111 32 1HZ LYS 4 HZ1 LYS 4 -2.381 11.166 -18.800 33 2HZ LYS 4 HZ2 LYS 4 -0.771 11.401 -18.941 34 3HZ LYS 4 HZ3 LYS 4 -1.440 10.003 -19.455 35 HA PRO 5 HA PRO 5 2.620 6.628 -13.559 36 1HB PRO 5 HB1 PRO 5 4.416 6.853 -15.607 37 2HB PRO 5 HB2 PRO 5 4.112 5.349 -14.759 38 1HG PRO 5 HG1 PRO 5 3.224 6.167 -17.457 39 2HG PRO 5 HG2 PRO 5 3.304 4.557 -16.768 40 1HD PRO 5 HD1 PRO 5 0.948 6.153 -17.135 41 2HD PRO 5 HD2 PRO 5 1.045 4.593 -16.342 42 H ASP 6 H ASP 6 2.512 8.569 -12.630 43 HA ASP 6 HA ASP 6 1.859 10.757 -14.314 44 1HB ASP 6 HB1 ASP 6 2.287 10.266 -11.389 45 2HB ASP 6 HB2 ASP 6 2.578 11.907 -11.932 46 H ASN 7 H ASN 7 3.280 12.565 -14.819 47 HA ASN 7 HA ASN 7 5.991 11.837 -15.031 48 1HB ASN 7 HB1 ASN 7 4.240 13.732 -16.222 49 2HB ASN 7 HB2 ASN 7 5.447 14.707 -15.409 50 1HD2 ASN 7 HD2 ASN 7 6.631 15.413 -17.059 51 2HD2 ASN 7 HD2 ASN 7 7.515 14.425 -18.174 52 HA PRO 8 HA PRO 8 6.320 15.285 -11.736 53 1HB PRO 8 HB1 PRO 8 4.053 16.267 -10.568 54 2HB PRO 8 HB2 PRO 8 4.843 17.040 -11.928 55 1HG PRO 8 HG1 PRO 8 2.355 15.444 -11.893 56 2HG PRO 8 HG2 PRO 8 2.926 16.559 -13.118 57 1HD PRO 8 HD1 PRO 8 3.000 13.694 -13.237 58 2HD PRO 8 HD2 PRO 8 3.675 14.809 -14.408 59 H GLY 9 H GLY 9 6.060 15.550 -9.244 60 1HA GLY 9 HA1 GLY 9 5.272 12.889 -8.220 61 2HA GLY 9 HA2 GLY 9 6.782 13.657 -7.771 62 H GLU 10 H GLU 10 5.995 16.368 -7.483 63 HA GLU 10 HA GLU 10 4.765 16.188 -4.948 64 1HB GLU 10 HB1 GLU 10 5.173 18.816 -6.372 65 2HB GLU 10 HB2 GLU 10 5.394 18.434 -4.676 66 1HG GLU 10 HG1 GLU 10 7.617 18.294 -5.157 67 2HG GLU 10 HG2 GLU 10 7.242 16.741 -5.876 68 H ASP 11 H ASP 11 3.865 17.827 -8.070 69 HA ASP 11 HA ASP 11 1.191 18.125 -7.030 70 1HB ASP 11 HB1 ASP 11 0.817 19.485 -9.084 71 2HB ASP 11 HB2 ASP 11 2.190 20.061 -8.161 72 H ALA 12 H ALA 12 1.267 15.538 -7.194 73 HA ALA 12 HA ALA 12 -0.359 14.791 -9.355 74 1HB ALA 12 HB1 ALA 12 1.091 14.079 -10.915 75 2HB ALA 12 HB2 ALA 12 2.411 14.795 -9.960 76 3HB ALA 12 HB3 ALA 12 1.958 13.091 -9.715 77 HA PRO 13 HA PRO 13 -0.378 12.272 -5.590 78 1HB PRO 13 HB1 PRO 13 -2.975 12.714 -4.864 79 2HB PRO 13 HB2 PRO 13 -1.631 13.641 -4.227 80 1HG PRO 13 HG1 PRO 13 -3.643 14.438 -6.241 81 2HG PRO 13 HG2 PRO 13 -2.577 15.455 -5.292 82 1HD PRO 13 HD1 PRO 13 -2.268 14.753 -8.056 83 2HD PRO 13 HD2 PRO 13 -1.144 15.674 -7.077 84 H ALA 14 H ALA 14 -0.069 10.315 -6.539 85 HA ALA 14 HA ALA 14 -2.266 8.682 -6.795 86 1HB ALA 14 HB1 ALA 14 -1.826 10.395 -9.126 87 2HB ALA 14 HB2 ALA 14 -1.734 8.667 -9.542 88 3HB ALA 14 HB3 ALA 14 -3.190 9.316 -8.750 89 H GLU 15 H GLU 15 0.986 9.604 -8.003 90 HA GLU 15 HA GLU 15 1.704 6.891 -8.448 91 1HB GLU 15 HB1 GLU 15 2.652 8.830 -9.739 92 2HB GLU 15 HB2 GLU 15 3.468 9.376 -8.287 93 1HG GLU 15 HG1 GLU 15 4.074 6.576 -8.628 94 2HG GLU 15 HG2 GLU 15 4.324 7.364 -10.173 95 H ASP 16 H ASP 16 1.493 8.996 -5.710 96 HA ASP 16 HA ASP 16 3.598 7.681 -4.283 97 1HB ASP 16 HB1 ASP 16 2.424 10.172 -4.107 98 2HB ASP 16 HB2 ASP 16 1.594 9.335 -2.810 99 H LEU 17 H LEU 17 0.036 7.687 -4.625 100 HA LEU 17 HA LEU 17 -0.257 5.857 -2.384 101 1HB LEU 17 HB1 LEU 17 -1.770 7.933 -3.229 102 2HB LEU 17 HB2 LEU 17 -2.578 6.614 -4.052 103 HG LEU 17 HG LEU 17 -2.125 5.819 -1.338 104 1HD1 LEU 17 HD1 LEU 17 -2.893 8.664 -1.688 105 2HD1 LEU 17 HD1 LEU 17 -3.845 7.716 -0.520 106 3HD1 LEU 17 HD1 LEU 17 -2.079 7.844 -0.334 107 1HD2 LEU 17 HD2 LEU 17 -4.782 6.120 -1.477 108 2HD2 LEU 17 HD2 LEU 17 -4.401 6.189 -3.214 109 3HD2 LEU 17 HD2 LEU 17 -3.915 4.773 -2.251 110 H ALA 18 H ALA 18 0.186 5.878 -5.831 111 HA ALA 18 HA ALA 18 -1.232 3.530 -6.454 112 1HB ALA 18 HB1 ALA 18 0.489 3.577 -8.420 113 2HB ALA 18 HB2 ALA 18 -0.676 4.914 -8.266 114 3HB ALA 18 HB3 ALA 18 1.002 5.129 -7.715 115 H ARG 19 H ARG 19 2.234 4.180 -5.605 116 HA ARG 19 HA ARG 19 3.079 1.590 -5.870 117 1HB ARG 19 HB1 ARG 19 4.923 2.302 -4.251 118 2HB ARG 19 HB2 ARG 19 4.698 3.375 -5.619 119 1HG ARG 19 HG1 ARG 19 3.418 4.957 -4.263 120 2HG ARG 19 HG2 ARG 19 3.365 3.840 -2.913 121 1HD ARG 19 HD1 ARG 19 5.943 3.938 -2.883 122 2HD ARG 19 HD2 ARG 19 5.827 5.258 -4.029 123 HE ARG 19 HE ARG 19 4.959 6.661 -2.333 124 1HH1 ARG 19 HH1 ARG 19 4.553 5.969 1.063 125 2HH1 ARG 19 HH1 ARG 19 4.587 7.209 -0.146 126 1HH2 ARG 19 HH2 ARG 19 4.884 3.752 0.461 127 2HH2 ARG 19 HH2 ARG 19 5.166 3.337 -1.197 128 H TYR 20 H TYR 20 1.026 3.078 -3.468 129 HA TYR 20 HA TYR 20 1.545 0.973 -1.517 130 1HB TYR 20 HB1 TYR 20 1.298 3.128 -0.503 131 2HB TYR 20 HB2 TYR 20 0.180 3.678 -1.735 132 HD1 TYR 20 HD1 TYR 20 -2.136 3.691 -1.323 133 HD2 TYR 20 HD2 TYR 20 0.430 1.374 1.197 134 HE1 TYR 20 HE1 TYR 20 -4.082 3.231 0.247 135 HE2 TYR 20 HE2 TYR 20 -1.525 0.922 2.759 136 HH TYR 20 HH TYR 20 -4.757 1.693 1.870 137 H TYR 21 H TYR 21 -0.467 1.603 -4.227 138 HA TYR 21 HA TYR 21 -2.650 -0.009 -3.130 139 1HB TYR 21 HB1 TYR 21 -2.205 2.174 -5.076 140 2HB TYR 21 HB2 TYR 21 -3.049 0.849 -5.852 141 HD1 TYR 21 HD1 TYR 21 -3.285 2.299 -2.394 142 HD2 TYR 21 HD2 TYR 21 -5.295 1.394 -6.060 143 HE1 TYR 21 HE1 TYR 21 -5.481 3.107 -1.398 144 HE2 TYR 21 HE2 TYR 21 -7.484 2.205 -5.052 145 HH TYR 21 HH TYR 21 -8.480 2.514 -2.931 146 H SER 22 H SER 22 0.030 -0.019 -5.459 147 HA SER 22 HA SER 22 -0.983 -2.307 -6.818 148 1HB SER 22 HB1 SER 22 0.497 -0.476 -7.829 149 2HB SER 22 HB2 SER 22 1.835 -1.155 -6.924 150 HG SER 22 HG SER 22 0.892 -3.275 -8.088 151 H ALA 23 H ALA 23 1.241 -1.552 -4.139 152 HA ALA 23 HA ALA 23 2.307 -4.229 -4.068 153 1HB ALA 23 HB1 ALA 23 3.588 -3.380 -2.173 154 2HB ALA 23 HB2 ALA 23 3.644 -2.195 -3.500 155 3HB ALA 23 HB3 ALA 23 2.575 -1.918 -2.104 156 H LEU 24 H LEU 24 -0.424 -2.429 -2.807 157 HA LEU 24 HA LEU 24 -0.849 -3.906 -0.464 158 1HB LEU 24 HB1 LEU 24 -2.359 -2.331 -0.218 159 2HB LEU 24 HB2 LEU 24 -2.035 -1.764 -1.844 160 HG LEU 24 HG LEU 24 -4.385 -2.090 -1.633 161 1HD1 LEU 24 HD1 LEU 24 -2.812 -3.530 -3.524 162 2HD1 LEU 24 HD1 LEU 24 -4.251 -4.504 -3.138 163 3HD1 LEU 24 HD1 LEU 24 -4.437 -2.832 -3.720 164 1HD2 LEU 24 HD2 LEU 24 -5.270 -3.555 -0.226 165 2HD2 LEU 24 HD2 LEU 24 -4.685 -4.899 -1.235 166 3HD2 LEU 24 HD2 LEU 24 -3.659 -4.253 0.069 167 H ARG 25 H ARG 25 -0.941 -4.822 -3.764 168 HA ARG 25 HA ARG 25 -3.010 -6.754 -3.392 169 1HB ARG 25 HB1 ARG 25 -2.179 -5.433 -5.596 170 2HB ARG 25 HB2 ARG 25 -1.125 -6.824 -5.753 171 1HG ARG 25 HG1 ARG 25 -2.882 -8.301 -6.142 172 2HG ARG 25 HG2 ARG 25 -4.008 -7.400 -5.146 173 1HD ARG 25 HD1 ARG 25 -4.245 -5.668 -6.886 174 2HD ARG 25 HD2 ARG 25 -2.993 -6.418 -7.857 175 HE ARG 25 HE ARG 25 -4.526 -8.061 -8.557 176 1HH1 ARG 25 HH1 ARG 25 -7.876 -8.495 -7.682 177 2HH1 ARG 25 HH1 ARG 25 -6.614 -8.967 -8.769 178 1HH2 ARG 25 HH2 ARG 25 -7.449 -6.944 -6.009 179 2HH2 ARG 25 HH2 ARG 25 -5.866 -6.258 -5.848 180 H HIS 26 H HIS 26 0.529 -6.835 -4.274 181 HA HIS 26 HA HIS 26 0.808 -9.576 -3.987 182 1HB HIS 26 HB1 HIS 26 2.382 -7.477 -4.806 183 2HB HIS 26 HB2 HIS 26 3.174 -7.951 -3.317 184 HD1 HIS 26 HD1 HIS 26 3.897 -10.584 -3.176 185 HD2 HIS 26 HD2 HIS 26 2.932 -9.088 -6.974 186 HE1 HIS 26 HE1 HIS 26 4.859 -12.240 -4.862 187 H TYR 27 H TYR 27 0.463 -7.024 -1.620 188 HA TYR 27 HA TYR 27 1.695 -8.540 0.501 189 1HB TYR 27 HB1 TYR 27 1.845 -6.181 0.794 190 2HB TYR 27 HB2 TYR 27 0.328 -5.892 -0.034 191 HD1 TYR 27 HD1 TYR 27 1.068 -8.036 2.951 192 HD2 TYR 27 HD2 TYR 27 -0.971 -4.604 1.414 193 HE1 TYR 27 HE1 TYR 27 -0.099 -7.719 5.188 194 HE2 TYR 27 HE2 TYR 27 -2.131 -4.298 3.655 195 HH TYR 27 HH TYR 27 -1.632 -6.634 6.277 196 H ILE 28 H ILE 28 -1.629 -7.621 -0.585 197 HA ILE 28 HA ILE 28 -2.828 -9.011 1.613 198 HB ILE 28 HB ILE 28 -3.881 -7.642 -0.853 199 1HG1 ILE 28 1HG1 ILE 28 -3.014 -6.173 0.889 200 2HG1 ILE 28 2HG1 ILE 28 -4.754 -6.021 0.748 201 1HG2 ILE 28 1HG2 ILE 28 -5.420 -9.163 1.263 202 2HG2 ILE 28 2HG2 ILE 28 -6.150 -7.963 0.170 203 3HG2 ILE 28 3HG2 ILE 28 -5.408 -9.438 -0.496 204 1HD1 ILE 28 1HD1 ILE 28 -4.850 -7.833 2.647 205 2HD1 ILE 28 2HD1 ILE 28 -3.148 -7.391 2.923 206 3HD1 ILE 28 3HD1 ILE 28 -4.424 -6.161 3.082 207 H ASN 29 H ASN 29 -1.538 -9.829 -1.510 208 HA ASN 29 HA ASN 29 -3.172 -11.836 -2.313 209 1HB ASN 29 HB1 ASN 29 -1.127 -10.968 -3.531 210 2HB ASN 29 HB2 ASN 29 -0.107 -11.828 -2.394 211 1HD2 ASN 29 HD2 ASN 29 -1.569 -11.943 -5.347 212 2HD2 ASN 29 HD2 ASN 29 -1.566 -13.647 -5.655 213 H LEU 30 H LEU 30 -1.078 -11.607 0.495 214 HA LEU 30 HA LEU 30 -0.614 -14.374 0.867 215 1HB LEU 30 HB1 LEU 30 -0.430 -11.960 2.661 216 2HB LEU 30 HB2 LEU 30 -0.069 -13.580 3.222 217 HG LEU 30 HG LEU 30 1.335 -12.277 0.877 218 1HD1 LEU 30 HD1 LEU 30 2.142 -12.354 3.795 219 2HD1 LEU 30 HD1 LEU 30 3.227 -11.914 2.454 220 3HD1 LEU 30 HD1 LEU 30 1.794 -10.918 2.803 221 1HD2 LEU 30 HD2 LEU 30 2.965 -14.032 1.107 222 2HD2 LEU 30 HD2 LEU 30 2.141 -14.670 2.551 223 3HD2 LEU 30 HD2 LEU 30 1.347 -14.761 0.960 224 H ALA 31 H ALA 31 -3.410 -12.391 1.115 225 HA ALA 31 HA ALA 31 -4.700 -13.437 3.322 226 1HB ALA 31 HB1 ALA 31 -5.652 -11.551 2.275 227 2HB ALA 31 HB2 ALA 31 -5.612 -12.310 0.665 228 3HB ALA 31 HB3 ALA 31 -6.785 -12.867 1.882 229 1HN AIB 32 1HN AIB 32 -6.251 -14.305 0.284 230 1HB1 AIB 32 1HB1 AIB 32 -4.250 -16.853 -0.003 231 2HB1 AIB 32 2HB1 AIB 32 -5.299 -18.243 -0.388 232 3HB1 AIB 32 3HB1 AIB 32 -4.962 -17.840 1.305 233 1HB2 AIB 32 1HB2 AIB 32 -6.822 -17.209 -1.702 234 2HB2 AIB 32 2HB2 AIB 32 -6.639 -15.448 -1.630 235 3HB2 AIB 32 3HB2 AIB 32 -8.110 -16.213 -0.971 236 H ARG 33 H ARG 33 -7.300 -15.315 2.528 237 HA ARG 33 HA ARG 33 -9.062 -17.596 2.944 238 1HB ARG 33 HB1 ARG 33 -7.819 -17.902 4.851 239 2HB ARG 33 HB2 ARG 33 -7.093 -16.311 4.742 240 1HG ARG 33 HG1 ARG 33 -8.486 -16.508 6.784 241 2HG ARG 33 HG2 ARG 33 -9.121 -15.276 5.712 242 1HD ARG 33 HD1 ARG 33 -10.418 -17.611 4.838 243 2HD ARG 33 HD2 ARG 33 -10.353 -17.817 6.577 244 HE ARG 33 HE ARG 33 -11.234 -15.147 5.698 245 1HH1 ARG 33 HH1 ARG 33 -14.491 -15.706 6.818 246 2HH1 ARG 33 HH1 ARG 33 -13.365 -14.524 6.240 247 1HH2 ARG 33 HH2 ARG 33 -13.837 -17.921 7.040 248 2HH2 ARG 33 HH2 ARG 33 -12.222 -18.393 6.629 249 H GLN 34 H GLN 34 -8.458 -14.070 3.490 250 HA GLN 34 HA GLN 34 -10.872 -13.425 4.588 251 1HB GLN 34 HB1 GLN 34 -8.601 -12.057 3.758 252 2HB GLN 34 HB2 GLN 34 -9.824 -11.418 2.678 253 1HG GLN 34 HG1 GLN 34 -10.962 -10.346 4.370 254 2HG GLN 34 HG2 GLN 34 -10.699 -11.646 5.516 255 1HE2 GLN 34 1HE2 GLN 34 -8.371 -11.953 6.201 256 2HE2 GLN 34 2HE2 GLN 34 -7.460 -10.533 6.591 257 H ARG 35 H ARG 35 -9.936 -13.836 1.138 258 HA ARG 35 HA ARG 35 -12.660 -13.207 0.401 259 1HB ARG 35 HB1 ARG 35 -10.011 -13.221 -0.986 260 2HB ARG 35 HB2 ARG 35 -11.355 -13.756 -1.975 261 1HG ARG 35 HG1 ARG 35 -11.412 -11.442 -2.346 262 2HG ARG 35 HG2 ARG 35 -12.582 -11.608 -1.052 263 1HD ARG 35 HD1 ARG 35 -11.349 -10.208 0.240 264 2HD ARG 35 HD2 ARG 35 -10.018 -11.347 0.207 265 HE ARG 35 HE ARG 35 -9.790 -10.088 -2.239 266 1HH1 ARG 35 HH1 ARG 35 -8.299 -7.056 -1.368 267 2HH1 ARG 35 HH1 ARG 35 -8.587 -8.189 -2.646 268 1HH2 ARG 35 HH2 ARG 35 -9.136 -7.467 0.757 269 2HH2 ARG 35 HH2 ARG 35 -10.048 -8.907 1.065 270 H TYR 36 H TYR 36 -11.949 -15.697 1.869 271 HA TYR 36 HA TYR 36 -12.290 -17.888 1.809 272 1HB TYR 36 HB1 TYR 36 -14.539 -17.701 1.159 273 2HB TYR 36 HB2 TYR 36 -14.155 -16.551 -0.105 274 HD1 TYR 36 HD1 TYR 36 -14.037 -20.203 0.685 275 HD2 TYR 36 HD2 TYR 36 -14.202 -17.206 -2.363 276 HE1 TYR 36 HE1 TYR 36 -14.410 -22.002 -1.073 277 HE2 TYR 36 HE2 TYR 36 -14.574 -19.014 -4.111 278 HH TYR 36 HH TYR 36 -14.275 -21.270 -4.455 279 1HN NH2 37 HN1 NH2 237 -10.523 -19.002 1.347 280 2HN NH2 37 HN2 NH2 237 -9.932 -19.380 -0.236 Start of MODEL 25 1 H TYR 1 H TYR 1 -18.325 15.904 -3.710 2 HA TYR 1 HA TYR 1 -17.109 17.286 -1.463 3 1HB TYR 1 HB1 TYR 1 -15.989 15.005 -3.172 4 2HB TYR 1 HB2 TYR 1 -15.705 15.291 -1.467 5 HD1 TYR 1 HD1 TYR 1 -17.964 15.221 0.019 6 HD2 TYR 1 HD2 TYR 1 -17.403 13.259 -3.742 7 HE1 TYR 1 HE1 TYR 1 -19.811 13.571 0.595 8 HE2 TYR 1 HE2 TYR 1 -19.252 11.616 -3.153 9 HH TYR 1 HH TYR 1 -21.453 11.957 -1.343 10 HA PRO 2 HA PRO 2 -14.939 19.468 -4.720 11 1HB PRO 2 HB1 PRO 2 -14.821 21.890 -3.461 12 2HB PRO 2 HB2 PRO 2 -16.112 21.442 -4.557 13 1HG PRO 2 HG1 PRO 2 -16.162 21.610 -1.606 14 2HG PRO 2 HG2 PRO 2 -17.509 21.585 -2.727 15 1HD PRO 2 HD1 PRO 2 -16.588 19.408 -1.102 16 2HD PRO 2 HD2 PRO 2 -17.860 19.352 -2.307 17 H SER 3 H SER 3 -12.801 19.398 -5.070 18 HA SER 3 HA SER 3 -10.993 20.315 -3.245 19 1HB SER 3 HB1 SER 3 -11.988 17.667 -2.559 20 2HB SER 3 HB2 SER 3 -10.282 17.571 -2.947 21 HG SER 3 HG SER 3 -10.570 18.045 -0.704 22 H LYS 4 H LYS 4 -10.188 21.074 -5.299 23 HA LYS 4 HA LYS 4 -9.657 19.402 -7.462 24 1HB LYS 4 HB1 LYS 4 -9.240 21.365 -8.416 25 2HB LYS 4 HB2 LYS 4 -9.491 22.135 -6.863 26 1HG LYS 4 HG1 LYS 4 -7.021 21.602 -6.338 27 2HG LYS 4 HG2 LYS 4 -6.850 21.147 -8.022 28 1HD LYS 4 HD1 LYS 4 -7.605 23.418 -8.726 29 2HD LYS 4 HD2 LYS 4 -7.818 23.877 -7.048 30 1HE LYS 4 HE1 LYS 4 -5.171 23.044 -8.332 31 2HE LYS 4 HE2 LYS 4 -5.639 24.689 -7.948 32 1HZ LYS 4 HZ1 LYS 4 -4.956 22.526 -6.131 33 2HZ LYS 4 HZ2 LYS 4 -4.461 24.082 -6.119 34 3HZ LYS 4 HZ3 LYS 4 -5.963 23.699 -5.607 35 HA PRO 5 HA PRO 5 -5.995 17.415 -6.345 36 1HB PRO 5 HB1 PRO 5 -4.760 17.046 -8.755 37 2HB PRO 5 HB2 PRO 5 -6.076 16.038 -8.189 38 1HG PRO 5 HG1 PRO 5 -6.121 18.162 -10.244 39 2HG PRO 5 HG2 PRO 5 -7.282 16.879 -9.966 40 1HD PRO 5 HD1 PRO 5 -7.569 19.639 -9.241 41 2HD PRO 5 HD2 PRO 5 -8.676 18.335 -8.861 42 H ASP 6 H ASP 6 -3.417 17.387 -7.228 43 HA ASP 6 HA ASP 6 -2.516 20.031 -7.543 44 1HB ASP 6 HB1 ASP 6 -3.156 19.731 -4.998 45 2HB ASP 6 HB2 ASP 6 -1.702 18.757 -4.910 46 H ASN 7 H ASN 7 -0.840 19.530 -8.967 47 HA ASN 7 HA ASN 7 1.092 17.591 -8.072 48 1HB ASN 7 HB1 ASN 7 -0.578 16.360 -9.553 49 2HB ASN 7 HB2 ASN 7 -0.171 17.454 -10.861 50 1HD2 ASN 7 HD2 ASN 7 0.673 15.947 -12.206 51 2HD2 ASN 7 HD2 ASN 7 2.156 15.096 -11.928 52 HA PRO 8 HA PRO 8 2.940 21.234 -10.005 53 1HB PRO 8 HB1 PRO 8 5.026 21.510 -8.262 54 2HB PRO 8 HB2 PRO 8 3.482 22.308 -8.042 55 1HG PRO 8 HG1 PRO 8 4.574 19.960 -6.617 56 2HG PRO 8 HG2 PRO 8 3.259 21.017 -6.144 57 1HD PRO 8 HD1 PRO 8 3.029 18.377 -7.241 58 2HD PRO 8 HD2 PRO 8 1.716 19.478 -6.877 59 H GLY 9 H GLY 9 5.047 18.757 -8.607 60 1HA GLY 9 HA1 GLY 9 5.879 17.329 -10.608 61 2HA GLY 9 HA2 GLY 9 6.619 18.844 -11.086 62 H GLU 10 H GLU 10 6.179 17.029 -7.956 63 HA GLU 10 HA GLU 10 8.867 16.447 -7.694 64 1HB GLU 10 HB1 GLU 10 8.143 19.161 -6.877 65 2HB GLU 10 HB2 GLU 10 8.752 18.247 -5.512 66 1HG GLU 10 HG1 GLU 10 10.882 18.221 -6.332 67 2HG GLU 10 HG2 GLU 10 10.352 17.776 -7.941 68 H ASP 11 H ASP 11 7.214 14.597 -7.345 69 HA ASP 11 HA ASP 11 6.451 13.087 -5.983 70 1HB ASP 11 HB1 ASP 11 8.401 14.188 -4.455 71 2HB ASP 11 HB2 ASP 11 7.025 14.640 -3.468 72 H ALA 12 H ALA 12 4.203 13.355 -6.411 73 HA ALA 12 HA ALA 12 2.792 15.173 -4.580 74 1HB ALA 12 HB1 ALA 12 1.802 16.147 -6.347 75 2HB ALA 12 HB2 ALA 12 2.918 15.249 -7.402 76 3HB ALA 12 HB3 ALA 12 1.322 14.567 -7.010 77 HA PRO 13 HA PRO 13 0.444 11.724 -3.443 78 1HB PRO 13 HB1 PRO 13 -2.026 12.771 -2.919 79 2HB PRO 13 HB2 PRO 13 -0.678 12.894 -1.807 80 1HG PRO 13 HG1 PRO 13 -1.832 14.977 -3.557 81 2HG PRO 13 HG2 PRO 13 -0.794 15.170 -2.159 82 1HD PRO 13 HD1 PRO 13 -0.022 15.390 -4.912 83 2HD PRO 13 HD2 PRO 13 1.036 15.467 -3.518 84 H ALA 14 H ALA 14 -1.478 10.274 -3.815 85 HA ALA 14 HA ALA 14 -2.980 9.359 -5.205 86 1HB ALA 14 HB1 ALA 14 -3.049 11.970 -6.078 87 2HB ALA 14 HB2 ALA 14 -2.539 11.107 -7.549 88 3HB ALA 14 HB3 ALA 14 -4.052 10.652 -6.729 89 H GLU 15 H GLU 15 -0.074 10.712 -6.910 90 HA GLU 15 HA GLU 15 0.140 8.277 -8.405 91 1HB GLU 15 HB1 GLU 15 0.706 10.801 -9.096 92 2HB GLU 15 HB2 GLU 15 2.274 10.407 -8.420 93 1HG GLU 15 HG1 GLU 15 2.389 8.385 -9.914 94 2HG GLU 15 HG2 GLU 15 0.845 8.830 -10.613 95 H ASP 16 H ASP 16 0.946 9.240 -5.289 96 HA ASP 16 HA ASP 16 3.419 7.724 -5.293 97 1HB ASP 16 HB1 ASP 16 3.592 9.866 -4.173 98 2HB ASP 16 HB2 ASP 16 2.103 9.600 -3.288 99 H LEU 17 H LEU 17 0.019 7.732 -4.346 100 HA LEU 17 HA LEU 17 0.278 5.713 -2.337 101 1HB LEU 17 HB1 LEU 17 -1.594 7.612 -2.999 102 2HB LEU 17 HB2 LEU 17 -2.354 6.136 -3.559 103 HG LEU 17 HG LEU 17 -1.491 5.387 -1.062 104 1HD1 LEU 17 HD1 LEU 17 -1.606 8.305 -1.110 105 2HD1 LEU 17 HD1 LEU 17 -2.675 7.587 0.120 106 3HD1 LEU 17 HD1 LEU 17 -0.939 7.198 0.114 107 1HD2 LEU 17 HD2 LEU 17 -4.081 6.398 -0.677 108 2HD2 LEU 17 HD2 LEU 17 -3.983 5.967 -2.401 109 3HD2 LEU 17 HD2 LEU 17 -3.614 4.749 -1.157 110 H ALA 18 H ALA 18 0.326 5.798 -5.782 111 HA ALA 18 HA ALA 18 -1.010 3.446 -6.412 112 1HB ALA 18 HB1 ALA 18 -0.171 3.829 -8.509 113 2HB ALA 18 HB2 ALA 18 0.225 5.413 -7.799 114 3HB ALA 18 HB3 ALA 18 1.474 4.150 -7.910 115 H ARG 19 H ARG 19 2.460 4.043 -5.543 116 HA ARG 19 HA ARG 19 3.278 1.449 -5.848 117 1HB ARG 19 HB1 ARG 19 5.207 2.087 -4.457 118 2HB ARG 19 HB2 ARG 19 4.785 3.429 -5.503 119 1HG ARG 19 HG1 ARG 19 4.554 4.756 -3.682 120 2HG ARG 19 HG2 ARG 19 3.213 3.763 -3.144 121 1HD ARG 19 HD1 ARG 19 4.752 3.678 -1.329 122 2HD ARG 19 HD2 ARG 19 4.998 2.153 -2.157 123 HE ARG 19 HE ARG 19 6.831 3.766 -3.407 124 1HH1 ARG 19 HH1 ARG 19 9.388 4.034 -1.048 125 2HH1 ARG 19 HH1 ARG 19 8.977 4.157 -2.726 126 1HH2 ARG 19 HH2 ARG 19 7.760 3.471 0.508 127 2HH2 ARG 19 HH2 ARG 19 6.134 3.174 -0.009 128 H TYR 20 H TYR 20 1.247 2.929 -3.416 129 HA TYR 20 HA TYR 20 1.732 0.785 -1.502 130 1HB TYR 20 HB1 TYR 20 1.503 2.926 -0.457 131 2HB TYR 20 HB2 TYR 20 0.394 3.506 -1.683 132 HD1 TYR 20 HD1 TYR 20 0.634 1.234 1.265 133 HD2 TYR 20 HD2 TYR 20 -1.944 3.455 -1.329 134 HE1 TYR 20 HE1 TYR 20 -1.329 0.777 2.814 135 HE2 TYR 20 HE2 TYR 20 -3.899 2.990 0.229 136 HH TYR 20 HH TYR 20 -3.798 2.340 3.100 137 H TYR 21 H TYR 21 -0.268 1.479 -4.206 138 HA TYR 21 HA TYR 21 -2.471 -0.125 -3.142 139 1HB TYR 21 HB1 TYR 21 -1.991 2.075 -5.060 140 2HB TYR 21 HB2 TYR 21 -2.846 0.768 -5.856 141 HD1 TYR 21 HD1 TYR 21 -4.915 -0.200 -4.429 142 HD2 TYR 21 HD2 TYR 21 -3.254 3.722 -4.022 143 HE1 TYR 21 HE1 TYR 21 -7.100 0.629 -3.428 144 HE2 TYR 21 HE2 TYR 21 -5.444 4.537 -3.022 145 HH TYR 21 HH TYR 21 -7.486 2.990 -1.656 146 H SER 22 H SER 22 0.222 -0.139 -5.455 147 HA SER 22 HA SER 22 -0.810 -2.400 -6.846 148 1HB SER 22 HB1 SER 22 0.892 -0.443 -7.582 149 2HB SER 22 HB2 SER 22 2.085 -1.599 -7.024 150 HG SER 22 HG SER 22 0.058 -2.660 -8.689 151 H ALA 23 H ALA 23 1.424 -1.697 -4.158 152 HA ALA 23 HA ALA 23 2.457 -4.386 -4.110 153 1HB ALA 23 HB1 ALA 23 3.304 -3.294 -1.798 154 2HB ALA 23 HB2 ALA 23 4.084 -2.950 -3.360 155 3HB ALA 23 HB3 ALA 23 2.909 -1.799 -2.679 156 H LEU 24 H LEU 24 -0.263 -2.576 -2.844 157 HA LEU 24 HA LEU 24 -0.712 -4.059 -0.512 158 1HB LEU 24 HB1 LEU 24 -2.230 -2.490 -0.273 159 2HB LEU 24 HB2 LEU 24 -1.877 -1.909 -1.889 160 HG LEU 24 HG LEU 24 -4.231 -2.228 -1.722 161 1HD1 LEU 24 HD1 LEU 24 -4.082 -4.630 -3.243 162 2HD1 LEU 24 HD1 LEU 24 -4.248 -2.953 -3.815 163 3HD1 LEU 24 HD1 LEU 24 -2.630 -3.663 -3.596 164 1HD2 LEU 24 HD2 LEU 24 -5.175 -3.719 -0.382 165 2HD2 LEU 24 HD2 LEU 24 -4.499 -5.059 -1.340 166 3HD2 LEU 24 HD2 LEU 24 -3.563 -4.366 0.006 167 H ARG 25 H ARG 25 -0.793 -4.963 -3.820 168 HA ARG 25 HA ARG 25 -2.880 -6.871 -3.497 169 1HB ARG 25 HB1 ARG 25 -2.153 -5.637 -5.683 170 2HB ARG 25 HB2 ARG 25 -0.835 -6.790 -5.758 171 1HG ARG 25 HG1 ARG 25 -2.387 -7.991 -6.981 172 2HG ARG 25 HG2 ARG 25 -2.838 -8.558 -5.385 173 1HD ARG 25 HD1 ARG 25 -4.724 -7.091 -5.258 174 2HD ARG 25 HD2 ARG 25 -4.122 -6.056 -6.537 175 HE ARG 25 HE ARG 25 -5.649 -8.509 -6.873 176 1HH1 ARG 25 HH1 ARG 25 -5.279 -8.561 -10.342 177 2HH1 ARG 25 HH1 ARG 25 -6.148 -9.208 -8.991 178 1HH2 ARG 25 HH2 ARG 25 -3.608 -6.987 -10.003 179 2HH2 ARG 25 HH2 ARG 25 -3.230 -6.458 -8.397 180 H HIS 26 H HIS 26 0.678 -7.064 -4.287 181 HA HIS 26 HA HIS 26 0.871 -9.801 -3.909 182 1HB HIS 26 HB1 HIS 26 2.505 -7.846 -4.836 183 2HB HIS 26 HB2 HIS 26 3.242 -8.132 -3.272 184 HD1 HIS 26 HD1 HIS 26 4.841 -8.858 -5.760 185 HD2 HIS 26 HD2 HIS 26 2.291 -11.556 -3.808 186 HE1 HIS 26 HE1 HIS 26 5.647 -11.193 -6.399 187 H TYR 27 H TYR 27 0.605 -7.152 -1.628 188 HA TYR 27 HA TYR 27 1.747 -8.632 0.559 189 1HB TYR 27 HB1 TYR 27 1.941 -6.261 0.750 190 2HB TYR 27 HB2 TYR 27 0.418 -5.980 -0.069 191 HD1 TYR 27 HD1 TYR 27 0.954 -8.182 2.892 192 HD2 TYR 27 HD2 TYR 27 -0.634 -4.486 1.435 193 HE1 TYR 27 HE1 TYR 27 -0.181 -7.778 5.131 194 HE2 TYR 27 HE2 TYR 27 -1.764 -4.095 3.679 195 HH TYR 27 HH TYR 27 -0.931 -5.646 6.408 196 H ILE 28 H ILE 28 -1.526 -7.764 -0.678 197 HA ILE 28 HA ILE 28 -2.777 -9.074 1.564 198 HB ILE 28 HB ILE 28 -3.761 -7.616 -0.874 199 1HG1 ILE 28 1HG1 ILE 28 -2.880 -6.316 1.055 200 2HG1 ILE 28 2HG1 ILE 28 -4.565 -5.995 0.695 201 1HG2 ILE 28 1HG2 ILE 28 -6.067 -7.935 0.104 202 2HG2 ILE 28 2HG2 ILE 28 -5.345 -9.368 -0.666 203 3HG2 ILE 28 3HG2 ILE 28 -5.375 -9.231 1.108 204 1HD1 ILE 28 1HD1 ILE 28 -3.483 -7.782 2.918 205 2HD1 ILE 28 2HD1 ILE 28 -4.348 -6.237 3.103 206 3HD1 ILE 28 3HD1 ILE 28 -5.208 -7.671 2.492 207 H ASN 29 H ASN 29 -1.261 -10.052 -1.303 208 HA ASN 29 HA ASN 29 -2.947 -11.894 -2.365 209 1HB ASN 29 HB1 ASN 29 -0.563 -11.195 -3.116 210 2HB ASN 29 HB2 ASN 29 0.048 -12.358 -1.956 211 1HD2 ASN 29 HD2 ASN 29 0.575 -12.522 -4.657 212 2HD2 ASN 29 HD2 ASN 29 -0.182 -13.923 -5.338 213 H LEU 30 H LEU 30 -1.038 -11.929 0.644 214 HA LEU 30 HA LEU 30 -1.185 -14.730 1.070 215 1HB LEU 30 HB1 LEU 30 0.467 -14.072 2.380 216 2HB LEU 30 HB2 LEU 30 -0.048 -12.397 2.333 217 HG LEU 30 HG LEU 30 -1.732 -12.943 4.131 218 1HD1 LEU 30 HD1 LEU 30 -0.280 -15.306 5.055 219 2HD1 LEU 30 HD1 LEU 30 -2.030 -14.996 4.951 220 3HD1 LEU 30 HD1 LEU 30 -1.141 -15.570 3.519 221 1HD2 LEU 30 HD2 LEU 30 0.851 -12.155 4.321 222 2HD2 LEU 30 HD2 LEU 30 -0.261 -12.292 5.705 223 3HD2 LEU 30 HD2 LEU 30 0.880 -13.611 5.345 224 H ALA 31 H ALA 31 -3.466 -12.149 1.235 225 HA ALA 31 HA ALA 31 -5.066 -13.443 3.276 226 1HB ALA 31 HB1 ALA 31 -6.362 -11.269 1.857 227 2HB ALA 31 HB2 ALA 31 -5.856 -11.359 3.561 228 3HB ALA 31 HB3 ALA 31 -4.707 -10.805 2.320 229 1HN AIB 32 1HN AIB 32 -4.901 -15.402 1.593 230 1HB1 AIB 32 1HB1 AIB 32 -5.813 -17.882 0.528 231 2HB1 AIB 32 2HB1 AIB 32 -4.571 -16.855 -0.237 232 3HB1 AIB 32 3HB1 AIB 32 -5.935 -17.449 -1.201 233 1HB2 AIB 32 1HB2 AIB 32 -7.054 -15.619 -1.921 234 2HB2 AIB 32 2HB2 AIB 32 -6.143 -14.236 -1.292 235 3HB2 AIB 32 3HB2 AIB 32 -7.846 -14.466 -0.811 236 H ARG 33 H ARG 33 -6.731 -16.575 2.730 237 HA ARG 33 HA ARG 33 -9.606 -16.783 2.397 238 1HB ARG 33 HB1 ARG 33 -8.187 -18.798 4.148 239 2HB ARG 33 HB2 ARG 33 -9.719 -18.955 3.310 240 1HG ARG 33 HG1 ARG 33 -7.023 -18.812 1.881 241 2HG ARG 33 HG2 ARG 33 -7.812 -20.317 2.311 242 1HD ARG 33 HD1 ARG 33 -9.502 -18.340 0.818 243 2HD ARG 33 HD2 ARG 33 -8.184 -19.057 -0.088 244 HE ARG 33 HE ARG 33 -10.603 -20.404 0.801 245 1HH1 ARG 33 HH1 ARG 33 -9.504 -23.570 -0.172 246 2HH1 ARG 33 HH1 ARG 33 -10.870 -22.619 0.307 247 1HH2 ARG 33 HH2 ARG 33 -7.403 -22.594 -0.313 248 2HH2 ARG 33 HH2 ARG 33 -7.201 -20.915 0.061 249 H GLN 34 H GLN 34 -6.752 -16.684 4.619 250 HA GLN 34 HA GLN 34 -7.976 -16.339 6.985 251 1HB GLN 34 HB1 GLN 34 -5.443 -15.099 5.857 252 2HB GLN 34 HB2 GLN 34 -5.927 -14.816 7.517 253 1HG GLN 34 HG1 GLN 34 -5.514 -17.574 6.267 254 2HG GLN 34 HG2 GLN 34 -4.348 -16.754 7.286 255 1HE2 GLN 34 1HE2 GLN 34 -6.385 -19.168 7.343 256 2HE2 GLN 34 2HE2 GLN 34 -7.000 -19.131 8.962 257 H ARG 35 H ARG 35 -7.967 -14.152 4.240 258 HA ARG 35 HA ARG 35 -8.793 -11.944 5.882 259 1HB ARG 35 HB1 ARG 35 -7.499 -12.219 3.358 260 2HB ARG 35 HB2 ARG 35 -9.062 -11.514 2.994 261 1HG ARG 35 HG1 ARG 35 -7.344 -9.765 3.457 262 2HG ARG 35 HG2 ARG 35 -8.674 -9.686 4.595 263 1HD ARG 35 HD1 ARG 35 -6.846 -11.491 5.785 264 2HD ARG 35 HD2 ARG 35 -5.832 -10.236 5.100 265 HE ARG 35 HE ARG 35 -7.838 -8.794 6.345 266 1HH1 ARG 35 HH1 ARG 35 -6.832 -8.910 9.685 267 2HH1 ARG 35 HH1 ARG 35 -7.786 -8.066 8.511 268 1HH2 ARG 35 HH2 ARG 35 -5.608 -10.780 9.059 269 2HH2 ARG 35 HH2 ARG 35 -5.648 -11.331 7.418 270 H TYR 36 H TYR 36 -10.488 -14.359 5.791 271 HA TYR 36 HA TYR 36 -12.946 -13.069 4.998 272 1HB TYR 36 HB1 TYR 36 -12.798 -14.195 2.944 273 2HB TYR 36 HB2 TYR 36 -11.508 -15.232 3.522 274 HD1 TYR 36 HD1 TYR 36 -11.935 -17.502 3.819 275 HD2 TYR 36 HD2 TYR 36 -15.209 -14.750 3.911 276 HE1 TYR 36 HE1 TYR 36 -13.571 -19.443 3.970 277 HE2 TYR 36 HE2 TYR 36 -16.834 -16.700 4.062 278 HH TYR 36 HH TYR 36 -15.648 -20.046 3.967 279 1HN NH2 37 HN1 NH2 237 -11.513 -16.228 5.870 280 2HN NH2 37 HN2 NH2 237 -12.575 -16.569 7.195 Start of MODEL 26 1 H TYR 1 H TYR 1 17.898 27.102 -14.578 2 HA TYR 1 HA TYR 1 16.889 26.157 -12.216 3 1HB TYR 1 HB1 TYR 1 14.684 27.368 -13.966 4 2HB TYR 1 HB2 TYR 1 14.538 26.823 -12.307 5 HD1 TYR 1 HD1 TYR 1 16.485 28.158 -10.758 6 HD2 TYR 1 HD2 TYR 1 14.398 29.652 -14.181 7 HE1 TYR 1 HE1 TYR 1 16.850 30.541 -9.950 8 HE2 TYR 1 HE2 TYR 1 14.770 32.030 -13.361 9 HH TYR 1 HH TYR 1 16.211 33.245 -11.967 10 HA PRO 2 HA PRO 2 16.145 22.848 -14.899 11 1HB PRO 2 HB1 PRO 2 14.501 21.247 -13.414 12 2HB PRO 2 HB2 PRO 2 16.236 21.319 -13.179 13 1HG PRO 2 HG1 PRO 2 14.090 22.492 -11.518 14 2HG PRO 2 HG2 PRO 2 15.763 22.185 -11.095 15 1HD PRO 2 HD1 PRO 2 14.596 24.722 -11.752 16 2HD PRO 2 HD2 PRO 2 16.290 24.396 -11.442 17 H SER 3 H SER 3 14.137 21.201 -15.546 18 HA SER 3 HA SER 3 12.526 23.023 -17.006 19 1HB SER 3 HB1 SER 3 13.441 20.609 -17.632 20 2HB SER 3 HB2 SER 3 11.976 20.054 -16.847 21 HG SER 3 HG SER 3 11.191 22.045 -18.446 22 H LYS 4 H LYS 4 10.066 22.834 -17.036 23 HA LYS 4 HA LYS 4 8.159 23.132 -15.955 24 1HB LYS 4 HB1 LYS 4 8.732 20.798 -14.164 25 2HB LYS 4 HB2 LYS 4 7.247 21.242 -14.982 26 1HG LYS 4 HG1 LYS 4 9.772 20.203 -16.356 27 2HG LYS 4 HG2 LYS 4 8.335 19.253 -16.033 28 1HD LYS 4 HD1 LYS 4 7.706 21.769 -17.441 29 2HD LYS 4 HD2 LYS 4 8.834 20.776 -18.342 30 1HE LYS 4 HE1 LYS 4 7.290 19.087 -18.698 31 2HE LYS 4 HE2 LYS 4 6.523 19.307 -17.138 32 1HZ LYS 4 HZ1 LYS 4 6.239 21.201 -19.365 33 2HZ LYS 4 HZ2 LYS 4 5.166 20.015 -19.034 34 3HZ LYS 4 HZ3 LYS 4 5.412 21.218 -17.956 35 HA PRO 5 HA PRO 5 9.893 25.373 -12.513 36 1HB PRO 5 HB1 PRO 5 8.666 27.756 -13.043 37 2HB PRO 5 HB2 PRO 5 10.255 27.340 -13.652 38 1HG PRO 5 HG1 PRO 5 7.678 27.419 -15.098 39 2HG PRO 5 HG2 PRO 5 9.304 27.427 -15.752 40 1HD PRO 5 HD1 PRO 5 7.494 25.202 -15.680 41 2HD PRO 5 HD2 PRO 5 9.159 25.182 -16.227 42 H ASP 6 H ASP 6 6.582 25.265 -13.619 43 HA ASP 6 HA ASP 6 5.395 26.157 -11.336 44 1HB ASP 6 HB1 ASP 6 4.532 25.166 -13.733 45 2HB ASP 6 HB2 ASP 6 4.148 23.797 -12.707 46 H ASN 7 H ASN 7 6.092 22.723 -12.363 47 HA ASN 7 HA ASN 7 6.154 22.053 -9.527 48 1HB ASN 7 HB1 ASN 7 5.320 19.737 -10.269 49 2HB ASN 7 HB2 ASN 7 4.139 21.026 -10.398 50 1HD2 ASN 7 HD2 ASN 7 3.438 19.075 -11.840 51 2HD2 ASN 7 HD2 ASN 7 3.798 19.227 -13.527 52 HA PRO 8 HA PRO 8 10.114 20.842 -11.271 53 1HB PRO 8 HB1 PRO 8 11.580 21.148 -8.985 54 2HB PRO 8 HB2 PRO 8 11.327 22.440 -10.141 55 1HG PRO 8 HG1 PRO 8 10.080 22.055 -7.488 56 2HG PRO 8 HG2 PRO 8 10.173 23.513 -8.456 57 1HD PRO 8 HD1 PRO 8 7.884 21.816 -8.125 58 2HD PRO 8 HD2 PRO 8 8.013 23.207 -9.182 59 H GLY 9 H GLY 9 9.279 19.834 -7.983 60 1HA GLY 9 HA1 GLY 9 8.630 17.314 -8.215 61 2HA GLY 9 HA2 GLY 9 10.329 17.173 -8.621 62 H GLU 10 H GLU 10 8.184 18.716 -6.123 63 HA GLU 10 HA GLU 10 10.334 18.363 -4.219 64 1HB GLU 10 HB1 GLU 10 7.694 19.647 -3.522 65 2HB GLU 10 HB2 GLU 10 9.294 20.008 -2.906 66 1HG GLU 10 HG1 GLU 10 9.165 21.793 -4.344 67 2HG GLU 10 HG2 GLU 10 9.695 20.621 -5.534 68 H ASP 11 H ASP 11 6.741 17.786 -4.407 69 HA ASP 11 HA ASP 11 7.209 15.258 -3.099 70 1HB ASP 11 HB1 ASP 11 5.398 15.657 -1.457 71 2HB ASP 11 HB2 ASP 11 6.699 16.811 -1.246 72 H ALA 12 H ALA 12 5.536 13.701 -3.661 73 HA ALA 12 HA ALA 12 3.176 14.601 -5.026 74 1HB ALA 12 HB1 ALA 12 5.536 13.426 -6.482 75 2HB ALA 12 HB2 ALA 12 3.889 13.023 -7.023 76 3HB ALA 12 HB3 ALA 12 4.424 14.721 -6.986 77 HA PRO 13 HA PRO 13 2.715 10.795 -2.701 78 1HB PRO 13 HB1 PRO 13 0.397 11.475 -1.422 79 2HB PRO 13 HB2 PRO 13 1.986 11.750 -0.737 80 1HG PRO 13 HG1 PRO 13 0.122 13.706 -1.937 81 2HG PRO 13 HG2 PRO 13 1.492 13.998 -0.884 82 1HD PRO 13 HD1 PRO 13 1.391 14.403 -3.722 83 2HD PRO 13 HD2 PRO 13 2.793 14.585 -2.686 84 H ALA 14 H ALA 14 0.953 12.410 -5.059 85 HA ALA 14 HA ALA 14 -1.214 10.655 -5.299 86 1HB ALA 14 HB1 ALA 14 0.086 12.083 -7.625 87 2HB ALA 14 HB2 ALA 14 -1.642 11.807 -7.300 88 3HB ALA 14 HB3 ALA 14 -0.735 13.001 -6.341 89 H GLU 15 H GLU 15 2.178 10.542 -6.420 90 HA GLU 15 HA GLU 15 1.637 8.264 -8.060 91 1HB GLU 15 HB1 GLU 15 3.472 10.196 -8.298 92 2HB GLU 15 HB2 GLU 15 4.428 9.118 -7.301 93 1HG GLU 15 HG1 GLU 15 3.612 7.269 -9.049 94 2HG GLU 15 HG2 GLU 15 3.337 8.656 -10.084 95 H ASP 16 H ASP 16 2.085 8.838 -4.735 96 HA ASP 16 HA ASP 16 3.554 6.436 -4.238 97 1HB ASP 16 HB1 ASP 16 3.467 8.715 -2.871 98 2HB ASP 16 HB2 ASP 16 2.040 8.010 -2.136 99 H LEU 17 H LEU 17 0.211 7.779 -3.866 100 HA LEU 17 HA LEU 17 -1.022 5.838 -2.450 101 1HB LEU 17 HB1 LEU 17 -1.766 8.029 -3.943 102 2HB LEU 17 HB2 LEU 17 -2.567 6.713 -4.779 103 HG LEU 17 HG LEU 17 -4.005 7.776 -3.095 104 1HD1 LEU 17 HD1 LEU 17 -3.806 5.231 -1.740 105 2HD1 LEU 17 HD1 LEU 17 -5.050 5.832 -2.862 106 3HD1 LEU 17 HD1 LEU 17 -3.592 5.031 -3.495 107 1HD2 LEU 17 HD2 LEU 17 -2.791 6.638 -0.720 108 2HD2 LEU 17 HD2 LEU 17 -1.705 7.805 -1.512 109 3HD2 LEU 17 HD2 LEU 17 -3.348 8.298 -1.038 110 H ALA 18 H ALA 18 -0.464 5.826 -6.037 111 HA ALA 18 HA ALA 18 -1.613 3.339 -6.493 112 1HB ALA 18 HB1 ALA 18 0.487 3.664 -8.339 113 2HB ALA 18 HB2 ALA 18 -1.206 4.176 -8.541 114 3HB ALA 18 HB3 ALA 18 -0.001 5.317 -7.897 115 H ARG 19 H ARG 19 1.783 4.287 -5.678 116 HA ARG 19 HA ARG 19 2.862 1.784 -5.929 117 1HB ARG 19 HB1 ARG 19 3.644 3.959 -3.921 118 2HB ARG 19 HB2 ARG 19 4.679 2.646 -4.445 119 1HG ARG 19 HG1 ARG 19 3.505 4.244 -6.669 120 2HG ARG 19 HG2 ARG 19 4.587 5.146 -5.626 121 1HD ARG 19 HD1 ARG 19 6.406 3.561 -6.006 122 2HD ARG 19 HD2 ARG 19 5.337 2.440 -6.825 123 HE ARG 19 HE ARG 19 5.170 4.904 -8.224 124 1HH1 ARG 19 HH1 ARG 19 7.765 4.344 -10.488 125 2HH1 ARG 19 HH1 ARG 19 6.348 5.279 -10.145 126 1HH2 ARG 19 HH2 ARG 19 8.467 2.711 -8.996 127 2HH2 ARG 19 HH2 ARG 19 7.574 2.427 -7.539 128 H TYR 20 H TYR 20 0.764 3.164 -3.459 129 HA TYR 20 HA TYR 20 1.438 1.121 -1.513 130 1HB TYR 20 HB1 TYR 20 0.926 3.252 -0.548 131 2HB TYR 20 HB2 TYR 20 -0.233 3.641 -1.803 132 HD1 TYR 20 HD1 TYR 20 -2.474 3.684 -1.212 133 HD2 TYR 20 HD2 TYR 20 0.184 1.144 0.975 134 HE1 TYR 20 HE1 TYR 20 -4.373 3.027 0.347 135 HE2 TYR 20 HE2 TYR 20 -1.723 0.496 2.526 136 HH TYR 20 HH TYR 20 -4.395 2.169 2.892 137 H TYR 21 H TYR 21 -0.661 1.528 -4.227 138 HA TYR 21 HA TYR 21 -2.604 -0.367 -3.133 139 1HB TYR 21 HB1 TYR 21 -2.467 1.884 -5.047 140 2HB TYR 21 HB2 TYR 21 -3.146 0.474 -5.836 141 HD1 TYR 21 HD1 TYR 21 -4.752 -0.799 -3.754 142 HD2 TYR 21 HD2 TYR 21 -4.211 3.359 -4.606 143 HE1 TYR 21 HE1 TYR 21 -7.014 -0.284 -2.714 144 HE2 TYR 21 HE2 TYR 21 -6.475 3.860 -3.564 145 HH TYR 21 HH TYR 21 -8.076 1.712 -1.615 146 H SER 22 H SER 22 -0.067 0.051 -5.615 147 HA SER 22 HA SER 22 -0.750 -2.209 -7.094 148 1HB SER 22 HB1 SER 22 1.664 -0.437 -6.829 149 2HB SER 22 HB2 SER 22 1.888 -1.984 -7.621 150 HG SER 22 HG SER 22 0.404 0.284 -8.458 151 H ALA 23 H ALA 23 1.358 -1.637 -4.238 152 HA ALA 23 HA ALA 23 2.343 -4.335 -4.250 153 1HB ALA 23 HB1 ALA 23 3.907 -3.434 -2.905 154 2HB ALA 23 HB2 ALA 23 3.121 -1.859 -3.168 155 3HB ALA 23 HB3 ALA 23 2.674 -2.852 -1.760 156 H LEU 24 H LEU 24 -0.542 -2.721 -3.279 157 HA LEU 24 HA LEU 24 -1.112 -4.250 -0.969 158 1HB LEU 24 HB1 LEU 24 -2.487 -2.306 -2.713 159 2HB LEU 24 HB2 LEU 24 -3.536 -3.448 -1.897 160 HG LEU 24 HG LEU 24 -2.747 -1.082 -0.854 161 1HD1 LEU 24 HD1 LEU 24 -3.417 -3.625 0.648 162 2HD1 LEU 24 HD1 LEU 24 -3.447 -1.991 1.352 163 3HD1 LEU 24 HD1 LEU 24 -4.553 -2.406 0.021 164 1HD2 LEU 24 HD2 LEU 24 -0.951 -1.183 0.585 165 2HD2 LEU 24 HD2 LEU 24 -0.977 -2.960 0.674 166 3HD2 LEU 24 HD2 LEU 24 -0.363 -2.151 -0.788 167 H ARG 25 H ARG 25 -0.837 -5.077 -4.262 168 HA ARG 25 HA ARG 25 -2.874 -7.105 -4.069 169 1HB ARG 25 HB1 ARG 25 -2.482 -5.691 -6.178 170 2HB ARG 25 HB2 ARG 25 -0.964 -6.541 -6.390 171 1HG ARG 25 HG1 ARG 25 -2.161 -8.084 -7.561 172 2HG ARG 25 HG2 ARG 25 -2.748 -8.643 -6.007 173 1HD ARG 25 HD1 ARG 25 -4.675 -7.035 -6.170 174 2HD ARG 25 HD2 ARG 25 -4.095 -6.513 -7.739 175 HE ARG 25 HE ARG 25 -4.489 -9.418 -7.524 176 1HH1 ARG 25 HH1 ARG 25 -7.283 -9.349 -9.613 177 2HH1 ARG 25 HH1 ARG 25 -6.111 -10.357 -8.831 178 1HH2 ARG 25 HH2 ARG 25 -7.206 -7.047 -9.332 179 2HH2 ARG 25 HH2 ARG 25 -5.977 -6.335 -8.341 180 H HIS 26 H HIS 26 0.576 -6.622 -3.704 181 HA HIS 26 HA HIS 26 1.124 -9.451 -4.048 182 1HB HIS 26 HB1 HIS 26 2.563 -7.143 -4.607 183 2HB HIS 26 HB2 HIS 26 3.326 -7.742 -3.148 184 HD1 HIS 26 HD1 HIS 26 4.744 -9.883 -3.317 185 HD2 HIS 26 HD2 HIS 26 2.745 -8.906 -6.874 186 HE1 HIS 26 HE1 HIS 26 5.719 -11.397 -5.125 187 H TYR 27 H TYR 27 0.584 -6.986 -1.579 188 HA TYR 27 HA TYR 27 1.704 -8.618 0.522 189 1HB TYR 27 HB1 TYR 27 1.612 -6.009 0.261 190 2HB TYR 27 HB2 TYR 27 -0.107 -6.130 0.581 191 HD1 TYR 27 HD1 TYR 27 3.199 -6.023 2.035 192 HD2 TYR 27 HD2 TYR 27 -0.883 -7.030 2.824 193 HE1 TYR 27 HE1 TYR 27 3.649 -5.919 4.536 194 HE2 TYR 27 HE2 TYR 27 -0.420 -6.922 5.322 195 HH TYR 27 HH TYR 27 1.314 -7.034 6.835 196 H ILE 28 H ILE 28 -1.467 -7.890 -0.940 197 HA ILE 28 HA ILE 28 -2.905 -9.089 1.235 198 HB ILE 28 HB ILE 28 -3.714 -8.080 -1.490 199 1HG1 ILE 28 1HG1 ILE 28 -4.218 -6.939 1.274 200 2HG1 ILE 28 2HG1 ILE 28 -2.944 -6.403 0.196 201 1HG2 ILE 28 1HG2 ILE 28 -5.175 -9.753 0.417 202 2HG2 ILE 28 2HG2 ILE 28 -6.018 -8.239 0.011 203 3HG2 ILE 28 3HG2 ILE 28 -5.531 -9.361 -1.282 204 1HD1 ILE 28 1HD1 ILE 28 -4.457 -4.965 -0.693 205 2HD1 ILE 28 2HD1 ILE 28 -5.242 -6.383 -1.430 206 3HD1 ILE 28 3HD1 ILE 28 -5.806 -5.770 0.143 207 H ASN 29 H ASN 29 -1.060 -10.212 -1.423 208 HA ASN 29 HA ASN 29 -2.530 -12.316 -2.339 209 1HB ASN 29 HB1 ASN 29 -0.279 -11.516 -3.213 210 2HB ASN 29 HB2 ASN 29 0.493 -12.274 -1.835 211 1HD2 ASN 29 HD2 ASN 29 -1.691 -12.914 -4.555 212 2HD2 ASN 29 HD2 ASN 29 -1.192 -14.542 -4.869 213 H LEU 30 H LEU 30 -1.125 -11.729 0.797 214 HA LEU 30 HA LEU 30 -1.086 -14.566 1.472 215 1HB LEU 30 HB1 LEU 30 0.021 -12.072 2.715 216 2HB LEU 30 HB2 LEU 30 -0.225 -13.505 3.693 217 HG LEU 30 HG LEU 30 1.618 -13.154 1.328 218 1HD1 LEU 30 HD1 LEU 30 3.109 -12.747 2.918 219 2HD1 LEU 30 HD1 LEU 30 1.918 -13.100 4.193 220 3HD1 LEU 30 HD1 LEU 30 2.892 -14.416 3.496 221 1HD2 LEU 30 HD2 LEU 30 0.481 -15.677 2.467 222 2HD2 LEU 30 HD2 LEU 30 0.876 -15.253 0.784 223 3HD2 LEU 30 HD2 LEU 30 2.177 -15.657 1.930 224 H ALA 31 H ALA 31 -3.060 -11.699 1.656 225 HA ALA 31 HA ALA 31 -4.560 -12.660 3.932 226 1HB ALA 31 HB1 ALA 31 -5.998 -10.582 3.006 227 2HB ALA 31 HB2 ALA 31 -4.531 -10.364 3.991 228 3HB ALA 31 HB3 ALA 31 -4.445 -10.209 2.220 229 1HN AIB 32 1HN AIB 32 -6.229 -11.299 1.143 230 1HB1 AIB 32 1HB1 AIB 32 -7.276 -15.026 0.834 231 2HB1 AIB 32 2HB1 AIB 32 -5.961 -14.385 -0.186 232 3HB1 AIB 32 3HB1 AIB 32 -7.561 -14.668 -0.893 233 1HB2 AIB 32 1HB2 AIB 32 -8.178 -11.028 -0.535 234 2HB2 AIB 32 2HB2 AIB 32 -8.452 -12.478 -1.515 235 3HB2 AIB 32 3HB2 AIB 32 -6.803 -11.817 -1.355 236 H ARG 33 H ARG 33 -7.713 -13.073 3.051 237 HA ARG 33 HA ARG 33 -10.612 -13.128 2.771 238 1HB ARG 33 HB1 ARG 33 -9.239 -14.275 5.209 239 2HB ARG 33 HB2 ARG 33 -10.769 -14.738 4.490 240 1HG ARG 33 HG1 ARG 33 -8.453 -15.138 2.679 241 2HG ARG 33 HG2 ARG 33 -8.352 -16.084 4.151 242 1HD ARG 33 HD1 ARG 33 -9.586 -17.182 2.166 243 2HD ARG 33 HD2 ARG 33 -10.413 -17.220 3.711 244 HE ARG 33 HE ARG 33 -11.390 -14.901 2.655 245 1HH1 ARG 33 HH1 ARG 33 -13.616 -15.973 0.191 246 2HH1 ARG 33 HH1 ARG 33 -13.177 -14.674 1.249 247 1HH2 ARG 33 HH2 ARG 33 -12.391 -17.944 0.203 248 2HH2 ARG 33 HH2 ARG 33 -11.037 -18.116 1.269 249 H GLN 34 H GLN 34 -7.917 -12.415 5.121 250 HA GLN 34 HA GLN 34 -9.178 -11.037 6.982 251 1HB GLN 34 HB1 GLN 34 -6.528 -11.304 6.149 252 2HB GLN 34 HB2 GLN 34 -6.776 -9.570 6.080 253 1HG GLN 34 HG1 GLN 34 -7.703 -11.123 8.515 254 2HG GLN 34 HG2 GLN 34 -6.011 -10.699 8.349 255 1HE2 GLN 34 1HE2 GLN 34 -7.984 -9.811 10.287 256 2HE2 GLN 34 2HE2 GLN 34 -8.065 -8.083 10.199 257 H ARG 35 H ARG 35 -8.728 -10.027 3.617 258 HA ARG 35 HA ARG 35 -9.978 -7.493 4.316 259 1HB ARG 35 HB1 ARG 35 -7.870 -8.263 2.349 260 2HB ARG 35 HB2 ARG 35 -9.077 -7.164 1.713 261 1HG ARG 35 HG1 ARG 35 -8.436 -5.424 3.099 262 2HG ARG 35 HG2 ARG 35 -8.040 -6.486 4.435 263 1HD ARG 35 HD1 ARG 35 -5.934 -7.166 3.326 264 2HD ARG 35 HD2 ARG 35 -6.346 -6.230 1.903 265 HE ARG 35 HE ARG 35 -6.458 -4.321 3.868 266 1HH1 ARG 35 HH1 ARG 35 -3.097 -3.684 4.555 267 2HH1 ARG 35 HH1 ARG 35 -4.713 -3.066 4.642 268 1HH2 ARG 35 HH2 ARG 35 -2.705 -5.786 3.652 269 2HH2 ARG 35 HH2 ARG 35 -4.028 -6.737 3.065 270 H TYR 36 H TYR 36 -11.880 -9.294 4.308 271 HA TYR 36 HA TYR 36 -12.976 -10.627 2.397 272 1HB TYR 36 HB1 TYR 36 -14.527 -10.171 4.100 273 2HB TYR 36 HB2 TYR 36 -13.908 -8.548 4.329 274 HD1 TYR 36 HD1 TYR 36 -15.965 -10.539 1.905 275 HD2 TYR 36 HD2 TYR 36 -15.233 -6.731 3.713 276 HE1 TYR 36 HE1 TYR 36 -18.017 -9.586 0.746 277 HE2 TYR 36 HE2 TYR 36 -17.288 -5.791 2.548 278 HH TYR 36 HH TYR 36 -19.417 -7.893 0.674 279 1HN NH2 37 HN1 NH2 237 -12.588 -10.376 0.289 280 2HN NH2 37 HN2 NH2 237 -13.037 -9.003 -0.666 Start of MODEL 27 1 H TYR 1 H TYR 1 -2.337 10.091 -32.595 2 HA TYR 1 HA TYR 1 -2.433 7.864 -32.086 3 1HB TYR 1 HB1 TYR 1 -1.684 6.738 -34.006 4 2HB TYR 1 HB2 TYR 1 -0.483 7.968 -34.347 5 HD1 TYR 1 HD1 TYR 1 1.760 7.382 -34.197 6 HD2 TYR 1 HD2 TYR 1 -1.103 5.196 -31.889 7 HE1 TYR 1 HE1 TYR 1 3.591 5.805 -33.407 8 HE2 TYR 1 HE2 TYR 1 0.738 3.627 -31.106 9 HH TYR 1 HH TYR 1 3.898 4.326 -31.286 10 HA PRO 2 HA PRO 2 0.500 8.919 -28.946 11 1HB PRO 2 HB1 PRO 2 -0.984 8.029 -26.831 12 2HB PRO 2 HB2 PRO 2 -1.096 9.660 -27.462 13 1HG PRO 2 HG1 PRO 2 -2.988 7.412 -27.788 14 2HG PRO 2 HG2 PRO 2 -3.265 9.125 -28.033 15 1HD PRO 2 HD1 PRO 2 -2.875 7.141 -30.068 16 2HD PRO 2 HD2 PRO 2 -3.037 8.870 -30.307 17 H SER 3 H SER 3 1.704 7.738 -27.198 18 HA SER 3 HA SER 3 1.470 4.903 -27.464 19 1HB SER 3 HB1 SER 3 2.993 5.802 -29.384 20 2HB SER 3 HB2 SER 3 4.169 6.128 -28.126 21 HG SER 3 HG SER 3 4.599 4.027 -27.928 22 H LYS 4 H LYS 4 0.975 5.124 -25.177 23 HA LYS 4 HA LYS 4 1.423 5.240 -23.017 24 1HB LYS 4 HB1 LYS 4 4.352 4.822 -23.510 25 2HB LYS 4 HB2 LYS 4 3.320 4.138 -22.271 26 1HG LYS 4 HG1 LYS 4 2.107 3.163 -24.556 27 2HG LYS 4 HG2 LYS 4 3.781 3.222 -25.069 28 1HD LYS 4 HD1 LYS 4 4.453 1.902 -23.058 29 2HD LYS 4 HD2 LYS 4 2.786 1.861 -22.520 30 1HE LYS 4 HE1 LYS 4 2.140 0.327 -24.153 31 2HE LYS 4 HE2 LYS 4 3.314 0.904 -25.319 32 1HZ LYS 4 HZ1 LYS 4 3.632 -1.049 -23.240 33 2HZ LYS 4 HZ2 LYS 4 4.366 -0.947 -24.695 34 3HZ LYS 4 HZ3 LYS 4 4.906 -0.048 -23.443 35 HA PRO 5 HA PRO 5 2.671 9.519 -23.097 36 1HB PRO 5 HB1 PRO 5 0.589 10.478 -21.610 37 2HB PRO 5 HB2 PRO 5 0.557 10.391 -23.360 38 1HG PRO 5 HG1 PRO 5 -0.812 8.660 -21.392 39 2HG PRO 5 HG2 PRO 5 -1.153 8.865 -23.098 40 1HD PRO 5 HD1 PRO 5 0.201 6.653 -21.872 41 2HD PRO 5 HD2 PRO 5 -0.039 6.915 -23.589 42 H ASP 6 H ASP 6 4.440 9.932 -21.943 43 HA ASP 6 HA ASP 6 4.268 9.094 -19.174 44 1HB ASP 6 HB1 ASP 6 6.793 9.607 -19.249 45 2HB ASP 6 HB2 ASP 6 6.241 8.244 -20.202 46 H ASN 7 H ASN 7 5.486 11.834 -21.255 47 HA ASN 7 HA ASN 7 5.559 13.981 -20.965 48 1HB ASN 7 HB1 ASN 7 3.135 13.830 -20.382 49 2HB ASN 7 HB2 ASN 7 3.540 13.505 -18.709 50 1HD2 ASN 7 HD2 ASN 7 3.329 15.864 -21.232 51 2HD2 ASN 7 HD2 ASN 7 3.591 17.289 -20.283 52 HA PRO 8 HA PRO 8 8.497 14.258 -17.694 53 1HB PRO 8 HB1 PRO 8 9.484 16.752 -18.216 54 2HB PRO 8 HB2 PRO 8 10.029 15.312 -19.053 55 1HG PRO 8 HG1 PRO 8 8.249 17.462 -20.029 56 2HG PRO 8 HG2 PRO 8 9.135 16.265 -20.953 57 1HD PRO 8 HD1 PRO 8 6.327 16.248 -20.367 58 2HD PRO 8 HD2 PRO 8 7.233 14.995 -21.191 59 H GLY 9 H GLY 9 6.718 14.090 -16.139 60 1HA GLY 9 HA1 GLY 9 6.444 16.706 -14.792 61 2HA GLY 9 HA2 GLY 9 5.070 15.648 -15.041 62 H GLU 10 H GLU 10 5.369 13.287 -14.215 63 HA GLU 10 HA GLU 10 5.377 12.163 -12.315 64 1HB GLU 10 HB1 GLU 10 7.270 11.037 -12.894 65 2HB GLU 10 HB2 GLU 10 8.129 12.504 -13.316 66 1HG GLU 10 HG1 GLU 10 8.932 12.839 -11.133 67 2HG GLU 10 HG2 GLU 10 7.604 11.967 -10.393 68 H ASP 11 H ASP 11 4.261 13.458 -10.788 69 HA ASP 11 HA ASP 11 5.630 14.098 -8.519 70 1HB ASP 11 HB1 ASP 11 5.468 16.606 -8.529 71 2HB ASP 11 HB2 ASP 11 6.638 15.987 -9.677 72 H ALA 12 H ALA 12 3.728 13.089 -7.631 73 HA ALA 12 HA ALA 12 1.585 14.760 -7.016 74 1HB ALA 12 HB1 ALA 12 0.970 12.688 -9.163 75 2HB ALA 12 HB2 ALA 12 -0.209 13.738 -8.341 76 3HB ALA 12 HB3 ALA 12 1.018 14.449 -9.417 77 HA PRO 13 HA PRO 13 1.150 11.532 -4.173 78 1HB PRO 13 HB1 PRO 13 -1.396 11.889 -3.247 79 2HB PRO 13 HB2 PRO 13 -0.037 12.857 -2.712 80 1HG PRO 13 HG1 PRO 13 -2.223 13.592 -4.561 81 2HG PRO 13 HG2 PRO 13 -1.120 14.642 -3.693 82 1HD PRO 13 HD1 PRO 13 -1.003 13.955 -6.476 83 2HD PRO 13 HD2 PRO 13 0.163 14.909 -5.582 84 H ALA 14 H ALA 14 -0.716 11.584 -6.965 85 HA ALA 14 HA ALA 14 -2.203 9.234 -6.493 86 1HB ALA 14 HB1 ALA 14 -1.408 10.878 -8.899 87 2HB ALA 14 HB2 ALA 14 -2.236 9.316 -9.111 88 3HB ALA 14 HB3 ALA 14 -3.022 10.623 -8.192 89 H GLU 15 H GLU 15 1.092 9.943 -7.680 90 HA GLU 15 HA GLU 15 1.478 7.247 -8.520 91 1HB GLU 15 HB1 GLU 15 2.584 9.407 -9.469 92 2HB GLU 15 HB2 GLU 15 3.661 9.316 -8.089 93 1HG GLU 15 HG1 GLU 15 3.232 6.916 -9.910 94 2HG GLU 15 HG2 GLU 15 4.407 8.155 -10.305 95 H ASP 16 H ASP 16 1.581 8.989 -5.539 96 HA ASP 16 HA ASP 16 3.609 7.355 -4.375 97 1HB ASP 16 HB1 ASP 16 1.945 9.689 -3.606 98 2HB ASP 16 HB2 ASP 16 2.229 8.579 -2.280 99 H LEU 17 H LEU 17 0.013 7.835 -4.163 100 HA LEU 17 HA LEU 17 -0.387 5.782 -2.268 101 1HB LEU 17 HB1 LEU 17 -1.843 7.856 -3.198 102 2HB LEU 17 HB2 LEU 17 -2.582 6.548 -4.100 103 HG LEU 17 HG LEU 17 -2.326 5.732 -1.359 104 1HD1 LEU 17 HD1 LEU 17 -3.433 8.505 -1.783 105 2HD1 LEU 17 HD1 LEU 17 -3.975 7.466 -0.443 106 3HD1 LEU 17 HD1 LEU 17 -2.262 7.935 -0.569 107 1HD2 LEU 17 HD2 LEU 17 -4.882 5.741 -1.586 108 2HD2 LEU 17 HD2 LEU 17 -4.602 6.254 -3.267 109 3HD2 LEU 17 HD2 LEU 17 -3.950 4.701 -2.690 110 H ALA 18 H ALA 18 0.064 5.879 -5.762 111 HA ALA 18 HA ALA 18 -1.218 3.498 -6.434 112 1HB ALA 18 HB1 ALA 18 0.928 3.704 -8.166 113 2HB ALA 18 HB2 ALA 18 -0.634 4.536 -8.359 114 3HB ALA 18 HB3 ALA 18 0.736 5.378 -7.595 115 H ARG 19 H ARG 19 2.189 4.186 -5.404 116 HA ARG 19 HA ARG 19 3.092 1.615 -5.667 117 1HB ARG 19 HB1 ARG 19 3.911 3.783 -3.670 118 2HB ARG 19 HB2 ARG 19 4.842 2.326 -3.954 119 1HG ARG 19 HG1 ARG 19 4.143 3.721 -6.464 120 2HG ARG 19 HG2 ARG 19 5.073 4.732 -5.376 121 1HD ARG 19 HD1 ARG 19 6.766 3.610 -6.575 122 2HD ARG 19 HD2 ARG 19 6.648 2.641 -5.120 123 HE ARG 19 HE ARG 19 4.828 1.683 -7.173 124 1HH1 ARG 19 HH1 ARG 19 6.881 -0.974 -8.122 125 2HH1 ARG 19 HH1 ARG 19 5.289 -0.297 -8.215 126 1HH2 ARG 19 HH2 ARG 19 8.545 0.130 -6.940 127 2HH2 ARG 19 HH2 ARG 19 8.195 1.632 -6.149 128 H TYR 20 H TYR 20 0.898 3.033 -3.345 129 HA TYR 20 HA TYR 20 1.346 0.900 -1.409 130 1HB TYR 20 HB1 TYR 20 1.009 3.032 -0.373 131 2HB TYR 20 HB2 TYR 20 -0.052 3.585 -1.654 132 HD1 TYR 20 HD1 TYR 20 -2.344 3.711 -1.250 133 HD2 TYR 20 HD2 TYR 20 0.039 1.077 1.134 134 HE1 TYR 20 HE1 TYR 20 -4.362 3.191 0.206 135 HE2 TYR 20 HE2 TYR 20 -1.987 0.566 2.582 136 HH TYR 20 HH TYR 20 -5.168 1.683 1.688 137 H TYR 21 H TYR 21 -0.527 1.539 -4.212 138 HA TYR 21 HA TYR 21 -2.741 -0.122 -3.259 139 1HB TYR 21 HB1 TYR 21 -2.223 2.093 -5.151 140 2HB TYR 21 HB2 TYR 21 -3.002 0.765 -5.989 141 HD1 TYR 21 HD1 TYR 21 -5.240 1.284 -6.317 142 HD2 TYR 21 HD2 TYR 21 -3.453 2.161 -2.530 143 HE1 TYR 21 HE1 TYR 21 -7.493 2.049 -5.422 144 HE2 TYR 21 HE2 TYR 21 -5.712 2.923 -1.648 145 HH TYR 21 HH TYR 21 -8.592 2.242 -3.245 146 H SER 22 H SER 22 0.061 -0.058 -5.441 147 HA SER 22 HA SER 22 -0.838 -2.346 -6.878 148 1HB SER 22 HB1 SER 22 1.063 -0.310 -7.289 149 2HB SER 22 HB2 SER 22 2.034 -1.752 -7.071 150 HG SER 22 HG SER 22 0.590 -0.997 -9.251 151 H ALA 23 H ALA 23 1.233 -1.586 -4.079 152 HA ALA 23 HA ALA 23 2.338 -4.246 -3.980 153 1HB ALA 23 HB1 ALA 23 3.883 -2.759 -3.154 154 2HB ALA 23 HB2 ALA 23 2.642 -1.651 -2.521 155 3HB ALA 23 HB3 ALA 23 3.044 -3.140 -1.631 156 H LEU 24 H LEU 24 -0.496 -2.519 -2.862 157 HA LEU 24 HA LEU 24 -1.017 -4.025 -0.555 158 1HB LEU 24 HB1 LEU 24 -2.573 -2.486 -0.376 159 2HB LEU 24 HB2 LEU 24 -2.164 -1.889 -1.973 160 HG LEU 24 HG LEU 24 -4.514 -2.260 -1.914 161 1HD1 LEU 24 HD1 LEU 24 -4.243 -4.660 -3.424 162 2HD1 LEU 24 HD1 LEU 24 -4.430 -2.988 -4.004 163 3HD1 LEU 24 HD1 LEU 24 -2.804 -3.654 -3.717 164 1HD2 LEU 24 HD2 LEU 24 -5.443 -3.739 -0.551 165 2HD2 LEU 24 HD2 LEU 24 -4.817 -5.064 -1.561 166 3HD2 LEU 24 HD2 LEU 24 -3.847 -4.446 -0.202 167 H ARG 25 H ARG 25 -0.907 -4.908 -3.863 168 HA ARG 25 HA ARG 25 -2.942 -6.903 -3.596 169 1HB ARG 25 HB1 ARG 25 -2.065 -5.502 -5.750 170 2HB ARG 25 HB2 ARG 25 -1.013 -6.894 -5.913 171 1HG ARG 25 HG1 ARG 25 -2.798 -7.768 -7.069 172 2HG ARG 25 HG2 ARG 25 -3.360 -8.197 -5.466 173 1HD ARG 25 HD1 ARG 25 -5.051 -6.632 -5.492 174 2HD ARG 25 HD2 ARG 25 -4.060 -5.421 -6.281 175 HE ARG 25 HE ARG 25 -4.763 -7.657 -8.040 176 1HH1 ARG 25 HH1 ARG 25 -7.048 -5.746 -9.858 177 2HH1 ARG 25 HH1 ARG 25 -6.148 -7.225 -9.806 178 1HH2 ARG 25 HH2 ARG 25 -6.847 -4.203 -8.136 179 2HH2 ARG 25 HH2 ARG 25 -5.797 -4.531 -6.798 180 H HIS 26 H HIS 26 0.639 -6.781 -4.257 181 HA HIS 26 HA HIS 26 1.013 -9.536 -4.076 182 1HB HIS 26 HB1 HIS 26 2.549 -7.268 -4.658 183 2HB HIS 26 HB2 HIS 26 3.328 -7.970 -3.253 184 HD1 HIS 26 HD1 HIS 26 2.081 -9.123 -6.694 185 HD2 HIS 26 HD2 HIS 26 5.039 -10.017 -3.857 186 HE1 HIS 26 HE1 HIS 26 3.561 -10.916 -7.745 187 H TYR 27 H TYR 27 0.408 -7.096 -1.662 188 HA TYR 27 HA TYR 27 1.636 -8.608 0.471 189 1HB TYR 27 HB1 TYR 27 1.666 -6.266 0.864 190 2HB TYR 27 HB2 TYR 27 0.203 -6.002 -0.064 191 HD1 TYR 27 HD1 TYR 27 0.631 -8.342 2.813 192 HD2 TYR 27 HD2 TYR 27 -1.072 -4.674 1.415 193 HE1 TYR 27 HE1 TYR 27 -0.703 -8.132 4.967 194 HE2 TYR 27 HE2 TYR 27 -2.400 -4.477 3.573 195 HH TYR 27 HH TYR 27 -2.295 -7.056 5.997 196 H ILE 28 H ILE 28 -1.686 -7.762 -0.693 197 HA ILE 28 HA ILE 28 -2.921 -9.260 1.397 198 HB ILE 28 HB ILE 28 -3.961 -8.005 -1.142 199 1HG1 ILE 28 1HG1 ILE 28 -3.055 -6.489 0.639 200 2HG1 ILE 28 2HG1 ILE 28 -4.739 -6.230 0.231 201 1HG2 ILE 28 1HG2 ILE 28 -5.354 -9.608 0.981 202 2HG2 ILE 28 2HG2 ILE 28 -6.203 -8.281 0.154 203 3HG2 ILE 28 3HG2 ILE 28 -5.551 -9.643 -0.788 204 1HD1 ILE 28 1HD1 ILE 28 -3.536 -7.193 2.768 205 2HD1 ILE 28 2HD1 ILE 28 -5.073 -6.339 2.490 206 3HD1 ILE 28 3HD1 ILE 28 -4.976 -8.100 2.248 207 H ASN 29 H ASN 29 -1.375 -10.015 -1.604 208 HA ASN 29 HA ASN 29 -2.862 -12.061 -2.566 209 1HB ASN 29 HB1 ASN 29 -0.844 -11.265 -3.715 210 2HB ASN 29 HB2 ASN 29 0.176 -11.750 -2.375 211 1HD2 ASN 29 HD2 ASN 29 -1.269 -12.642 -5.299 212 2HD2 ASN 29 HD2 ASN 29 -0.844 -14.321 -5.340 213 H LEU 30 H LEU 30 -1.102 -11.790 0.448 214 HA LEU 30 HA LEU 30 -0.950 -14.671 0.809 215 1HB LEU 30 HB1 LEU 30 0.006 -12.349 2.487 216 2HB LEU 30 HB2 LEU 30 0.181 -14.033 2.937 217 HG LEU 30 HG LEU 30 1.717 -12.410 1.016 218 1HD1 LEU 30 HD1 LEU 30 2.279 -13.809 3.280 219 2HD1 LEU 30 HD1 LEU 30 2.775 -14.971 2.026 220 3HD1 LEU 30 HD1 LEU 30 3.479 -13.336 2.054 221 1HD2 LEU 30 HD2 LEU 30 0.633 -13.780 -0.630 222 2HD2 LEU 30 HD2 LEU 30 2.298 -14.369 -0.410 223 3HD2 LEU 30 HD2 LEU 30 0.938 -15.253 0.321 224 H ALA 31 H ALA 31 -2.973 -11.904 1.544 225 HA ALA 31 HA ALA 31 -4.428 -13.519 3.517 226 1HB ALA 31 HB1 ALA 31 -3.473 -11.146 4.020 227 2HB ALA 31 HB2 ALA 31 -4.818 -10.562 3.010 228 3HB ALA 31 HB3 ALA 31 -5.155 -11.502 4.483 229 1HN AIB 32 1HN AIB 32 -4.803 -14.454 1.003 230 1HB1 AIB 32 1HB1 AIB 32 -6.114 -15.041 -1.851 231 2HB1 AIB 32 2HB1 AIB 32 -7.210 -16.014 -0.834 232 3HB1 AIB 32 3HB1 AIB 32 -5.496 -15.882 -0.400 233 1HB2 AIB 32 1HB2 AIB 32 -6.015 -12.739 -1.643 234 2HB2 AIB 32 2HB2 AIB 32 -6.782 -11.867 -0.306 235 3HB2 AIB 32 3HB2 AIB 32 -7.783 -12.841 -1.416 236 H ARG 33 H ARG 33 -6.996 -14.804 2.530 237 HA ARG 33 HA ARG 33 -9.837 -14.306 2.350 238 1HB ARG 33 HB1 ARG 33 -8.943 -16.826 3.759 239 2HB ARG 33 HB2 ARG 33 -10.493 -16.469 3.022 240 1HG ARG 33 HG1 ARG 33 -9.055 -16.387 0.770 241 2HG ARG 33 HG2 ARG 33 -7.920 -17.347 1.697 242 1HD ARG 33 HD1 ARG 33 -9.368 -18.913 0.565 243 2HD ARG 33 HD2 ARG 33 -9.840 -18.940 2.253 244 HE ARG 33 HE ARG 33 -11.883 -17.876 1.703 245 1HH1 ARG 33 HH1 ARG 33 -13.128 -17.070 -1.455 246 2HH1 ARG 33 HH1 ARG 33 -13.508 -17.249 0.225 247 1HH2 ARG 33 HH2 ARG 33 -10.968 -17.468 -2.205 248 2HH2 ARG 33 HH2 ARG 33 -9.736 -17.943 -1.084 249 H GLN 34 H GLN 34 -6.984 -15.256 4.365 250 HA GLN 34 HA GLN 34 -7.979 -14.891 6.832 251 1HB GLN 34 HB1 GLN 34 -5.397 -15.042 5.619 252 2HB GLN 34 HB2 GLN 34 -5.346 -13.678 6.717 253 1HG GLN 34 HG1 GLN 34 -6.594 -15.404 8.364 254 2HG GLN 34 HG2 GLN 34 -5.827 -16.592 7.328 255 1HE2 GLN 34 1HE2 GLN 34 -5.407 -14.131 9.710 256 2HE2 GLN 34 2HE2 GLN 34 -3.717 -14.348 10.023 257 H ARG 35 H ARG 35 -7.467 -12.464 4.350 258 HA ARG 35 HA ARG 35 -7.579 -10.336 6.276 259 1HB ARG 35 HB1 ARG 35 -6.551 -10.643 3.624 260 2HB ARG 35 HB2 ARG 35 -7.842 -9.465 3.499 261 1HG ARG 35 HG1 ARG 35 -6.110 -9.031 5.863 262 2HG ARG 35 HG2 ARG 35 -5.233 -8.938 4.348 263 1HD ARG 35 HD1 ARG 35 -6.001 -6.798 4.189 264 2HD ARG 35 HD2 ARG 35 -7.558 -7.492 3.782 265 HE ARG 35 HE ARG 35 -7.375 -7.518 6.610 266 1HH1 ARG 35 HH1 ARG 35 -8.714 -4.353 7.216 267 2HH1 ARG 35 HH1 ARG 35 -8.349 -5.902 7.899 268 1HH2 ARG 35 HH2 ARG 35 -8.216 -3.919 4.991 269 2HH2 ARG 35 HH2 ARG 35 -7.477 -5.144 4.014 270 H TYR 36 H TYR 36 -9.880 -12.193 6.013 271 HA TYR 36 HA TYR 36 -11.915 -10.188 5.551 272 1HB TYR 36 HB1 TYR 36 -12.171 -11.079 3.393 273 2HB TYR 36 HB2 TYR 36 -11.198 -12.484 3.778 274 HD1 TYR 36 HD1 TYR 36 -12.289 -14.500 3.490 275 HD2 TYR 36 HD2 TYR 36 -14.535 -11.131 4.870 276 HE1 TYR 36 HE1 TYR 36 -14.392 -15.927 3.573 277 HE2 TYR 36 HE2 TYR 36 -16.630 -12.569 4.949 278 HH TYR 36 HH TYR 36 -17.113 -15.133 3.394 279 1HN NH2 37 HN1 NH2 237 -11.378 -13.694 6.017 280 2HN NH2 37 HN2 NH2 237 -12.437 -13.878 7.375 Start of MODEL 28 1 H TYR 1 H TYR 1 4.615 -6.414 -15.044 2 HA TYR 1 HA TYR 1 4.291 -5.291 -16.928 3 1HB TYR 1 HB1 TYR 1 2.540 -3.355 -15.338 4 2HB TYR 1 HB2 TYR 1 2.231 -4.011 -16.933 5 HD1 TYR 1 HD1 TYR 1 2.416 -6.884 -16.623 6 HD2 TYR 1 HD2 TYR 1 0.820 -3.984 -13.912 7 HE1 TYR 1 HE1 TYR 1 0.914 -8.660 -15.595 8 HE2 TYR 1 HE2 TYR 1 -0.677 -5.769 -12.895 9 HH TYR 1 HH TYR 1 -1.389 -8.563 -14.344 10 HA PRO 2 HA PRO 2 6.730 -1.720 -16.998 11 1HB PRO 2 HB1 PRO 2 6.087 -0.602 -19.407 12 2HB PRO 2 HB2 PRO 2 7.180 -1.962 -19.243 13 1HG PRO 2 HG1 PRO 2 4.381 -1.939 -20.193 14 2HG PRO 2 HG2 PRO 2 5.606 -3.172 -20.416 15 1HD PRO 2 HD1 PRO 2 3.412 -3.246 -18.571 16 2HD PRO 2 HD2 PRO 2 4.701 -4.424 -18.713 17 H SER 3 H SER 3 6.910 0.632 -16.912 18 HA SER 3 HA SER 3 4.364 1.936 -16.749 19 1HB SER 3 HB1 SER 3 6.133 1.473 -14.327 20 2HB SER 3 HB2 SER 3 5.084 2.874 -14.408 21 HG SER 3 HG SER 3 4.362 0.087 -14.378 22 H LYS 4 H LYS 4 7.831 2.313 -15.679 23 HA LYS 4 HA LYS 4 9.388 3.776 -16.252 24 1HB LYS 4 HB1 LYS 4 9.392 3.723 -18.494 25 2HB LYS 4 HB2 LYS 4 7.645 3.785 -18.606 26 1HG LYS 4 HG1 LYS 4 8.483 5.824 -19.599 27 2HG LYS 4 HG2 LYS 4 7.756 6.267 -18.068 28 1HD LYS 4 HD1 LYS 4 9.929 6.422 -16.981 29 2HD LYS 4 HD2 LYS 4 10.737 5.688 -18.352 30 1HE LYS 4 HE1 LYS 4 10.342 7.623 -19.751 31 2HE LYS 4 HE2 LYS 4 9.188 8.299 -18.619 32 1HZ LYS 4 HZ1 LYS 4 11.957 7.814 -17.816 33 2HZ LYS 4 HZ2 LYS 4 11.536 9.187 -18.593 34 3HZ LYS 4 HZ3 LYS 4 10.868 8.830 -17.147 35 HA PRO 5 HA PRO 5 7.749 7.073 -13.906 36 1HB PRO 5 HB1 PRO 5 10.125 8.006 -12.929 37 2HB PRO 5 HB2 PRO 5 9.226 6.703 -12.178 38 1HG PRO 5 HG1 PRO 5 11.686 6.557 -13.810 39 2HG PRO 5 HG2 PRO 5 11.021 5.359 -12.716 40 1HD PRO 5 HD1 PRO 5 10.901 5.321 -15.582 41 2HD PRO 5 HD2 PRO 5 10.137 4.187 -14.485 42 H ASP 6 H ASP 6 9.013 9.512 -13.473 43 HA ASP 6 HA ASP 6 9.682 10.452 -16.091 44 1HB ASP 6 HB1 ASP 6 7.013 10.807 -14.916 45 2HB ASP 6 HB2 ASP 6 7.776 12.356 -15.214 46 H ASN 7 H ASN 7 10.809 12.528 -15.940 47 HA ASN 7 HA ASN 7 11.927 12.990 -13.400 48 1HB ASN 7 HB1 ASN 7 12.468 13.706 -16.140 49 2HB ASN 7 HB2 ASN 7 12.388 15.203 -15.233 50 1HD2 ASN 7 HD2 ASN 7 14.595 15.525 -15.541 51 2HD2 ASN 7 HD2 ASN 7 15.802 14.677 -14.632 52 HA PRO 8 HA PRO 8 9.274 16.942 -13.849 53 1HB PRO 8 HB1 PRO 8 7.448 17.127 -15.874 54 2HB PRO 8 HB2 PRO 8 9.061 17.805 -15.973 55 1HG PRO 8 HG1 PRO 8 7.992 15.370 -17.264 56 2HG PRO 8 HG2 PRO 8 9.428 16.287 -17.670 57 1HD PRO 8 HD1 PRO 8 9.328 13.787 -16.269 58 2HD PRO 8 HD2 PRO 8 10.753 14.761 -16.574 59 H GLY 9 H GLY 9 7.837 17.195 -12.255 60 1HA GLY 9 HA1 GLY 9 5.260 16.439 -12.226 61 2HA GLY 9 HA2 GLY 9 6.069 14.948 -11.787 62 H GLU 10 H GLU 10 8.371 16.326 -10.449 63 HA GLU 10 HA GLU 10 8.954 17.138 -8.517 64 1HB GLU 10 HB1 GLU 10 6.237 18.303 -7.908 65 2HB GLU 10 HB2 GLU 10 7.823 18.954 -7.545 66 1HG GLU 10 HG1 GLU 10 7.600 20.251 -9.396 67 2HG GLU 10 HG2 GLU 10 7.831 18.797 -10.346 68 H ASP 11 H ASP 11 5.462 16.137 -8.260 69 HA ASP 11 HA ASP 11 6.100 13.875 -6.778 70 1HB ASP 11 HB1 ASP 11 5.332 16.371 -5.257 71 2HB ASP 11 HB2 ASP 11 4.719 14.833 -4.685 72 H ALA 12 H ALA 12 3.451 16.226 -6.023 73 HA ALA 12 HA ALA 12 1.275 16.215 -6.416 74 1HB ALA 12 HB1 ALA 12 0.608 14.930 -8.649 75 2HB ALA 12 HB2 ALA 12 1.495 16.472 -8.707 76 3HB ALA 12 HB3 ALA 12 2.370 14.935 -8.905 77 HA PRO 13 HA PRO 13 -0.221 12.544 -4.689 78 1HB PRO 13 HB1 PRO 13 -2.920 12.807 -5.031 79 2HB PRO 13 HB2 PRO 13 -2.031 13.622 -3.759 80 1HG PRO 13 HG1 PRO 13 -3.130 14.744 -6.264 81 2HG PRO 13 HG2 PRO 13 -2.628 15.586 -4.811 82 1HD PRO 13 HD1 PRO 13 -1.177 15.407 -7.279 83 2HD PRO 13 HD2 PRO 13 -0.626 16.149 -5.790 84 H ALA 14 H ALA 14 -2.171 10.773 -5.139 85 HA ALA 14 HA ALA 14 -2.369 8.885 -6.318 86 1HB ALA 14 HB1 ALA 14 -3.885 9.278 -7.960 87 2HB ALA 14 HB2 ALA 14 -3.693 10.988 -7.503 88 3HB ALA 14 HB3 ALA 14 -2.770 10.323 -8.872 89 H GLU 15 H GLU 15 0.403 10.068 -6.154 90 HA GLU 15 HA GLU 15 1.425 8.801 -8.577 91 1HB GLU 15 HB1 GLU 15 1.885 11.450 -7.595 92 2HB GLU 15 HB2 GLU 15 3.382 10.567 -7.374 93 1HG GLU 15 HG1 GLU 15 3.794 10.952 -9.576 94 2HG GLU 15 HG2 GLU 15 2.566 9.750 -9.921 95 H ASP 16 H ASP 16 1.370 9.006 -5.079 96 HA ASP 16 HA ASP 16 3.607 7.144 -4.976 97 1HB ASP 16 HB1 ASP 16 3.605 9.354 -3.613 98 2HB ASP 16 HB2 ASP 16 2.344 8.630 -2.635 99 H LEU 17 H LEU 17 0.191 7.817 -4.148 100 HA LEU 17 HA LEU 17 -0.289 5.716 -2.408 101 1HB LEU 17 HB1 LEU 17 -1.709 7.786 -3.445 102 2HB LEU 17 HB2 LEU 17 -2.440 6.439 -4.295 103 HG LEU 17 HG LEU 17 -2.253 5.688 -1.555 104 1HD1 LEU 17 HD1 LEU 17 -3.724 7.493 -0.577 105 2HD1 LEU 17 HD1 LEU 17 -2.021 7.937 -0.842 106 3HD1 LEU 17 HD1 LEU 17 -3.275 8.503 -1.971 107 1HD2 LEU 17 HD2 LEU 17 -4.435 6.262 -3.530 108 2HD2 LEU 17 HD2 LEU 17 -3.969 4.729 -2.754 109 3HD2 LEU 17 HD2 LEU 17 -4.841 5.970 -1.822 110 H ALA 18 H ALA 18 0.082 5.817 -5.944 111 HA ALA 18 HA ALA 18 -1.123 3.417 -6.594 112 1HB ALA 18 HB1 ALA 18 0.284 3.519 -8.594 113 2HB ALA 18 HB2 ALA 18 -0.298 5.150 -8.182 114 3HB ALA 18 HB3 ALA 18 1.375 4.678 -7.797 115 H ARG 19 H ARG 19 2.287 4.110 -5.568 116 HA ARG 19 HA ARG 19 3.176 1.531 -5.788 117 1HB ARG 19 HB1 ARG 19 4.021 3.691 -3.789 118 2HB ARG 19 HB2 ARG 19 4.957 2.253 -4.145 119 1HG ARG 19 HG1 ARG 19 4.176 3.696 -6.597 120 2HG ARG 19 HG2 ARG 19 5.102 4.708 -5.507 121 1HD ARG 19 HD1 ARG 19 6.302 2.050 -5.632 122 2HD ARG 19 HD2 ARG 19 6.097 2.682 -7.254 123 HE ARG 19 HE ARG 19 7.192 4.695 -5.467 124 1HH1 ARG 19 HH1 ARG 19 10.463 4.316 -6.623 125 2HH1 ARG 19 HH1 ARG 19 9.377 5.317 -5.718 126 1HH2 ARG 19 HH2 ARG 19 9.699 2.344 -7.580 127 2HH2 ARG 19 HH2 ARG 19 8.043 1.873 -7.389 128 H TYR 20 H TYR 20 0.997 3.002 -3.484 129 HA TYR 20 HA TYR 20 1.440 0.902 -1.511 130 1HB TYR 20 HB1 TYR 20 1.113 3.054 -0.515 131 2HB TYR 20 HB2 TYR 20 0.051 3.587 -1.803 132 HD1 TYR 20 HD1 TYR 20 0.209 1.410 1.215 133 HD2 TYR 20 HD2 TYR 20 -2.307 3.449 -1.581 134 HE1 TYR 20 HE1 TYR 20 -1.816 0.933 2.678 135 HE2 TYR 20 HE2 TYR 20 -4.323 2.964 -0.110 136 HH TYR 20 HH TYR 20 -4.353 2.417 2.779 137 H TYR 21 H TYR 21 -0.445 1.506 -4.318 138 HA TYR 21 HA TYR 21 -2.658 -0.134 -3.331 139 1HB TYR 21 HB1 TYR 21 -2.141 2.049 -5.259 140 2HB TYR 21 HB2 TYR 21 -2.927 0.711 -6.073 141 HD1 TYR 21 HD1 TYR 21 -4.937 -0.332 -4.435 142 HD2 TYR 21 HD2 TYR 21 -3.589 3.725 -4.601 143 HE1 TYR 21 HE1 TYR 21 -7.185 0.459 -3.550 144 HE2 TYR 21 HE2 TYR 21 -5.842 4.502 -3.715 145 HH TYR 21 HH TYR 21 -7.709 3.838 -2.722 146 H SER 22 H SER 22 0.143 -0.121 -5.510 147 HA SER 22 HA SER 22 -0.770 -2.420 -6.920 148 1HB SER 22 HB1 SER 22 0.837 -0.492 -7.715 149 2HB SER 22 HB2 SER 22 2.089 -1.412 -6.904 150 HG SER 22 HG SER 22 0.854 -3.250 -8.315 151 H ALA 23 H ALA 23 1.323 -1.638 -4.138 152 HA ALA 23 HA ALA 23 2.397 -4.306 -3.997 153 1HB ALA 23 HB1 ALA 23 2.689 -1.709 -2.518 154 2HB ALA 23 HB2 ALA 23 3.146 -3.212 -1.682 155 3HB ALA 23 HB3 ALA 23 3.937 -2.770 -3.214 156 H LEU 24 H LEU 24 -0.415 -2.529 -2.883 157 HA LEU 24 HA LEU 24 -0.955 -4.012 -0.569 158 1HB LEU 24 HB1 LEU 24 -2.489 -2.448 -0.409 159 2HB LEU 24 HB2 LEU 24 -2.087 -1.884 -2.019 160 HG LEU 24 HG LEU 24 -4.442 -2.235 -1.926 161 1HD1 LEU 24 HD1 LEU 24 -4.379 -2.979 -4.011 162 2HD1 LEU 24 HD1 LEU 24 -2.757 -3.659 -3.732 163 3HD1 LEU 24 HD1 LEU 24 -4.204 -4.648 -3.418 164 1HD2 LEU 24 HD2 LEU 24 -4.691 -5.062 -1.530 165 2HD2 LEU 24 HD2 LEU 24 -3.796 -4.356 -0.163 166 3HD2 LEU 24 HD2 LEU 24 -5.403 -3.725 -0.595 167 H ARG 25 H ARG 25 -0.862 -4.925 -3.873 168 HA ARG 25 HA ARG 25 -2.935 -6.866 -3.632 169 1HB ARG 25 HB1 ARG 25 -1.989 -5.569 -5.779 170 2HB ARG 25 HB2 ARG 25 -0.858 -6.907 -5.838 171 1HG ARG 25 HG1 ARG 25 -2.466 -8.067 -6.949 172 2HG ARG 25 HG2 ARG 25 -3.308 -8.193 -5.417 173 1HD ARG 25 HD1 ARG 25 -3.686 -5.636 -6.956 174 2HD ARG 25 HD2 ARG 25 -4.437 -7.073 -7.620 175 HE ARG 25 HE ARG 25 -5.338 -5.621 -5.317 176 1HH1 ARG 25 HH1 ARG 25 -7.394 -8.143 -4.057 177 2HH1 ARG 25 HH1 ARG 25 -7.014 -6.454 -4.006 178 1HH2 ARG 25 HH2 ARG 25 -6.201 -9.560 -5.455 179 2HH2 ARG 25 HH2 ARG 25 -4.931 -8.928 -6.448 180 H HIS 26 H HIS 26 0.659 -6.961 -4.255 181 HA HIS 26 HA HIS 26 0.893 -9.705 -3.895 182 1HB HIS 26 HB1 HIS 26 2.523 -7.670 -4.718 183 2HB HIS 26 HB2 HIS 26 3.224 -8.043 -3.156 184 HD1 HIS 26 HD1 HIS 26 4.560 -8.643 -6.004 185 HD2 HIS 26 HD2 HIS 26 2.602 -11.421 -3.545 186 HE1 HIS 26 HE1 HIS 26 5.465 -10.938 -6.656 187 H TYR 27 H TYR 27 0.435 -7.088 -1.625 188 HA TYR 27 HA TYR 27 1.557 -8.529 0.603 189 1HB TYR 27 HB1 TYR 27 1.661 -6.153 0.809 190 2HB TYR 27 HB2 TYR 27 0.165 -5.922 -0.074 191 HD1 TYR 27 HD1 TYR 27 1.039 -7.787 3.073 192 HD2 TYR 27 HD2 TYR 27 -1.389 -4.792 1.219 193 HE1 TYR 27 HE1 TYR 27 -0.204 -7.429 5.262 194 HE2 TYR 27 HE2 TYR 27 -2.624 -4.444 3.414 195 HH TYR 27 HH TYR 27 -2.895 -6.366 5.650 196 H ILE 28 H ILE 28 -1.705 -7.732 -0.725 197 HA ILE 28 HA ILE 28 -3.011 -9.056 1.459 198 HB ILE 28 HB ILE 28 -3.935 -7.778 -1.105 199 1HG1 ILE 28 1HG1 ILE 28 -3.179 -6.292 0.716 200 2HG1 ILE 28 2HG1 ILE 28 -4.880 -6.099 0.343 201 1HG2 ILE 28 1HG2 ILE 28 -6.231 -8.142 0.305 202 2HG2 ILE 28 2HG2 ILE 28 -5.685 -9.186 -1.030 203 3HG2 ILE 28 3HG2 ILE 28 -5.371 -9.661 0.657 204 1HD1 ILE 28 1HD1 ILE 28 -3.585 -7.225 2.797 205 2HD1 ILE 28 2HD1 ILE 28 -5.074 -6.262 2.636 206 3HD1 ILE 28 3HD1 ILE 28 -5.097 -8.003 2.269 207 H ASN 29 H ASN 29 -1.520 -9.956 -1.547 208 HA ASN 29 HA ASN 29 -3.084 -12.024 -2.361 209 1HB ASN 29 HB1 ASN 29 -1.045 -11.168 -3.558 210 2HB ASN 29 HB2 ASN 29 -0.022 -11.883 -2.328 211 1HD2 ASN 29 HD2 ASN 29 0.135 -14.130 -2.131 212 2HD2 ASN 29 HD2 ASN 29 -0.269 -15.208 -3.425 213 H LEU 30 H LEU 30 -1.142 -11.639 0.529 214 HA LEU 30 HA LEU 30 -0.933 -14.495 0.992 215 1HB LEU 30 HB1 LEU 30 -0.074 -12.221 2.777 216 2HB LEU 30 HB2 LEU 30 0.400 -13.904 2.888 217 HG LEU 30 HG LEU 30 1.143 -11.980 0.667 218 1HD1 LEU 30 HD1 LEU 30 3.151 -11.644 1.660 219 2HD1 LEU 30 HD1 LEU 30 2.205 -11.986 3.128 220 3HD1 LEU 30 HD1 LEU 30 3.194 -13.267 2.389 221 1HD2 LEU 30 HD2 LEU 30 2.747 -14.314 0.594 222 2HD2 LEU 30 HD2 LEU 30 1.049 -14.845 0.667 223 3HD2 LEU 30 HD2 LEU 30 1.580 -13.733 -0.618 224 H ALA 31 H ALA 31 -3.523 -12.716 0.881 225 HA ALA 31 HA ALA 31 -4.493 -13.038 3.585 226 1HB ALA 31 HB1 ALA 31 -6.441 -11.870 2.770 227 2HB ALA 31 HB2 ALA 31 -5.007 -11.058 2.097 228 3HB ALA 31 HB3 ALA 31 -5.970 -12.153 1.077 229 1HN AIB 32 1HN AIB 32 -4.052 -15.038 0.899 230 1HB1 AIB 32 1HB1 AIB 32 -3.471 -16.931 0.207 231 2HB1 AIB 32 2HB1 AIB 32 -4.775 -17.712 -0.726 232 3HB1 AIB 32 3HB1 AIB 32 -4.203 -18.458 0.776 233 1HB2 AIB 32 1HB2 AIB 32 -6.939 -17.296 -0.403 234 2HB2 AIB 32 2HB2 AIB 32 -6.804 -15.537 -0.239 235 3HB2 AIB 32 3HB2 AIB 32 -7.619 -16.485 1.035 236 H ARG 33 H ARG 33 -3.996 -16.672 3.311 237 HA ARG 33 HA ARG 33 -4.785 -18.899 4.512 238 1HB ARG 33 HB1 ARG 33 -3.230 -17.882 5.863 239 2HB ARG 33 HB2 ARG 33 -3.757 -16.273 5.410 240 1HG ARG 33 HG1 ARG 33 -5.478 -17.973 7.243 241 2HG ARG 33 HG2 ARG 33 -4.105 -17.099 7.893 242 1HD ARG 33 HD1 ARG 33 -5.133 -15.052 7.670 243 2HD ARG 33 HD2 ARG 33 -5.824 -15.453 6.110 244 HE ARG 33 HE ARG 33 -7.287 -17.041 7.817 245 1HH1 ARG 33 HH1 ARG 33 -9.513 -14.768 9.252 246 2HH1 ARG 33 HH1 ARG 33 -9.211 -16.435 8.892 247 1HH2 ARG 33 HH2 ARG 33 -7.964 -13.151 8.643 248 2HH2 ARG 33 HH2 ARG 33 -6.506 -13.610 7.828 249 H GLN 34 H GLN 34 -6.682 -15.952 4.055 250 HA GLN 34 HA GLN 34 -8.478 -16.073 6.061 251 1HB GLN 34 HB1 GLN 34 -8.413 -14.297 4.346 252 2HB GLN 34 HB2 GLN 34 -8.992 -15.415 3.127 253 1HG GLN 34 HG1 GLN 34 -11.166 -15.290 3.855 254 2HG GLN 34 HG2 GLN 34 -10.709 -15.318 5.547 255 1HE2 GLN 34 1HE2 GLN 34 -10.551 -13.256 2.654 256 2HE2 GLN 34 2HE2 GLN 34 -10.835 -11.741 3.444 257 H ARG 35 H ARG 35 -8.939 -17.615 2.790 258 HA ARG 35 HA ARG 35 -10.984 -19.255 3.965 259 1HB ARG 35 HB1 ARG 35 -11.606 -19.809 1.712 260 2HB ARG 35 HB2 ARG 35 -11.162 -18.115 1.657 261 1HG ARG 35 HG1 ARG 35 -8.765 -18.963 1.033 262 2HG ARG 35 HG2 ARG 35 -9.533 -20.506 0.719 263 1HD ARG 35 HD1 ARG 35 -11.106 -18.417 -0.543 264 2HD ARG 35 HD2 ARG 35 -9.428 -18.207 -1.001 265 HE ARG 35 HE ARG 35 -9.776 -20.915 -1.333 266 1HH1 ARG 35 HH1 ARG 35 -11.552 -21.100 -4.332 267 2HH1 ARG 35 HH1 ARG 35 -10.523 -21.951 -3.228 268 1HH2 ARG 35 HH2 ARG 35 -12.172 -18.908 -3.885 269 2HH2 ARG 35 HH2 ARG 35 -11.606 -18.124 -2.448 270 H TYR 36 H TYR 36 -7.788 -19.411 4.194 271 HA TYR 36 HA TYR 36 -6.244 -20.991 4.390 272 1HB TYR 36 HB1 TYR 36 -7.455 -22.261 5.949 273 2HB TYR 36 HB2 TYR 36 -8.919 -22.176 4.991 274 HD1 TYR 36 HD1 TYR 36 -5.592 -23.898 5.069 275 HD2 TYR 36 HD2 TYR 36 -9.707 -24.095 3.914 276 HE1 TYR 36 HE1 TYR 36 -5.290 -26.327 4.380 277 HE2 TYR 36 HE2 TYR 36 -9.390 -26.523 3.229 278 HH TYR 36 HH TYR 36 -6.273 -28.144 3.724 279 1HN NH2 37 HN1 NH2 237 -5.094 -21.202 2.594 280 2HN NH2 37 HN2 NH2 237 -5.483 -22.211 1.241 Start of MODEL 29 1 H TYR 1 H TYR 1 14.985 20.407 9.076 2 HA TYR 1 HA TYR 1 15.574 18.140 8.550 3 1HB TYR 1 HB1 TYR 1 15.597 18.449 11.600 4 2HB TYR 1 HB2 TYR 1 16.864 17.771 10.595 5 HD1 TYR 1 HD1 TYR 1 16.132 20.471 12.583 6 HD2 TYR 1 HD2 TYR 1 17.659 19.621 8.678 7 HE1 TYR 1 HE1 TYR 1 17.317 22.720 12.549 8 HE2 TYR 1 HE2 TYR 1 18.839 21.873 8.657 9 HH TYR 1 HH TYR 1 18.940 23.858 9.645 10 HA PRO 2 HA PRO 2 11.898 15.902 9.983 11 1HB PRO 2 HB1 PRO 2 11.061 14.961 7.558 12 2HB PRO 2 HB2 PRO 2 10.435 16.428 8.284 13 1HG PRO 2 HG1 PRO 2 12.340 16.137 6.043 14 2HG PRO 2 HG2 PRO 2 11.389 17.536 6.500 15 1HD PRO 2 HD1 PRO 2 14.189 17.135 6.976 16 2HD PRO 2 HD2 PRO 2 13.213 18.479 7.534 17 H SER 3 H SER 3 13.822 14.722 7.257 18 HA SER 3 HA SER 3 15.158 12.857 8.747 19 1HB SER 3 HB1 SER 3 12.437 12.045 8.175 20 2HB SER 3 HB2 SER 3 13.531 11.000 7.290 21 HG SER 3 HG SER 3 14.410 10.233 9.158 22 H LYS 4 H LYS 4 13.302 12.518 5.629 23 HA LYS 4 HA LYS 4 15.788 12.950 4.178 24 1HB LYS 4 HB1 LYS 4 14.134 10.569 3.410 25 2HB LYS 4 HB2 LYS 4 15.818 10.915 3.074 26 1HG LYS 4 HG1 LYS 4 16.365 10.601 5.499 27 2HG LYS 4 HG2 LYS 4 14.680 10.250 5.831 28 1HD LYS 4 HD1 LYS 4 15.070 8.074 5.335 29 2HD LYS 4 HD2 LYS 4 15.387 8.535 3.674 30 1HE LYS 4 HE1 LYS 4 17.794 9.199 4.688 31 2HE LYS 4 HE2 LYS 4 17.346 8.029 5.913 32 1HZ LYS 4 HZ1 LYS 4 18.523 7.176 3.887 33 2HZ LYS 4 HZ2 LYS 4 17.173 6.366 4.322 34 3HZ LYS 4 HZ3 LYS 4 17.132 7.404 3.062 35 HA PRO 5 HA PRO 5 12.382 15.119 2.284 36 1HB PRO 5 HB1 PRO 5 13.763 17.397 1.676 37 2HB PRO 5 HB2 PRO 5 12.875 17.185 3.172 38 1HG PRO 5 HG1 PRO 5 15.796 17.102 2.723 39 2HG PRO 5 HG2 PRO 5 14.922 17.317 4.226 40 1HD PRO 5 HD1 PRO 5 16.216 14.923 3.321 41 2HD PRO 5 HD2 PRO 5 15.245 15.106 4.768 42 H ASP 6 H ASP 6 11.699 15.286 0.171 43 HA ASP 6 HA ASP 6 13.464 15.576 -1.904 44 1HB ASP 6 HB1 ASP 6 14.327 13.342 -1.256 45 2HB ASP 6 HB2 ASP 6 12.709 12.673 -1.329 46 H ASN 7 H ASN 7 10.652 13.484 -0.892 47 HA ASN 7 HA ASN 7 8.921 15.053 -2.526 48 1HB ASN 7 HB1 ASN 7 9.936 13.215 -4.054 49 2HB ASN 7 HB2 ASN 7 9.082 12.047 -3.065 50 1HD2 ASN 7 HD2 ASN 7 6.855 11.931 -3.094 51 2HD2 ASN 7 HD2 ASN 7 5.876 12.667 -4.318 52 HA PRO 8 HA PRO 8 6.925 13.423 1.152 53 1HB PRO 8 HB1 PRO 8 5.295 15.568 1.613 54 2HB PRO 8 HB2 PRO 8 6.912 15.433 2.276 55 1HG PRO 8 HG1 PRO 8 5.962 17.111 0.035 56 2HG PRO 8 HG2 PRO 8 7.432 17.266 0.977 57 1HD PRO 8 HD1 PRO 8 7.197 16.204 -1.677 58 2HD PRO 8 HD2 PRO 8 8.646 16.253 -0.692 59 H GLY 9 H GLY 9 5.193 15.092 -1.422 60 1HA GLY 9 HA1 GLY 9 3.780 13.383 -2.657 61 2HA GLY 9 HA2 GLY 9 3.036 13.102 -1.096 62 H GLU 10 H GLU 10 3.973 15.921 -3.203 63 HA GLU 10 HA GLU 10 1.340 17.011 -2.576 64 1HB GLU 10 HB1 GLU 10 2.496 18.681 -1.548 65 2HB GLU 10 HB2 GLU 10 4.016 18.210 -2.280 66 1HG GLU 10 HG1 GLU 10 3.413 19.355 -4.383 67 2HG GLU 10 HG2 GLU 10 1.818 19.728 -3.761 68 H ASP 11 H ASP 11 4.122 17.043 -4.907 69 HA ASP 11 HA ASP 11 2.967 18.334 -6.956 70 1HB ASP 11 HB1 ASP 11 4.350 16.632 -8.415 71 2HB ASP 11 HB2 ASP 11 5.194 17.711 -7.323 72 H ALA 12 H ALA 12 2.926 14.741 -6.321 73 HA ALA 12 HA ALA 12 0.246 14.543 -7.307 74 1HB ALA 12 HB1 ALA 12 2.582 13.897 -9.024 75 2HB ALA 12 HB2 ALA 12 1.328 12.638 -8.940 76 3HB ALA 12 HB3 ALA 12 0.904 14.283 -9.472 77 HA PRO 13 HA PRO 13 1.257 11.572 -4.140 78 1HB PRO 13 HB1 PRO 13 -1.102 11.763 -2.772 79 2HB PRO 13 HB2 PRO 13 0.301 12.746 -2.405 80 1HG PRO 13 HG1 PRO 13 -2.189 13.517 -3.798 81 2HG PRO 13 HG2 PRO 13 -0.983 14.548 -3.053 82 1HD PRO 13 HD1 PRO 13 -1.327 14.058 -5.859 83 2HD PRO 13 HD2 PRO 13 -0.051 14.996 -5.107 84 H ALA 14 H ALA 14 -1.061 11.740 -6.564 85 HA ALA 14 HA ALA 14 -2.428 9.349 -6.040 86 1HB ALA 14 HB1 ALA 14 -2.149 11.331 -8.197 87 2HB ALA 14 HB2 ALA 14 -2.434 9.679 -8.797 88 3HB ALA 14 HB3 ALA 14 -3.583 10.424 -7.659 89 H GLU 15 H GLU 15 0.697 10.126 -7.590 90 HA GLU 15 HA GLU 15 0.981 7.471 -8.585 91 1HB GLU 15 HB1 GLU 15 2.039 9.870 -9.331 92 2HB GLU 15 HB2 GLU 15 3.364 9.267 -8.356 93 1HG GLU 15 HG1 GLU 15 2.183 7.268 -10.231 94 2HG GLU 15 HG2 GLU 15 2.967 8.628 -11.009 95 H ASP 16 H ASP 16 1.430 9.075 -5.562 96 HA ASP 16 HA ASP 16 3.582 7.393 -4.726 97 1HB ASP 16 HB1 ASP 16 3.073 9.817 -3.947 98 2HB ASP 16 HB2 ASP 16 1.786 9.127 -2.978 99 H LEU 17 H LEU 17 0.052 7.904 -4.017 100 HA LEU 17 HA LEU 17 -0.171 5.833 -2.147 101 1HB LEU 17 HB1 LEU 17 -1.741 7.872 -3.046 102 2HB LEU 17 HB2 LEU 17 -2.541 6.490 -3.769 103 HG LEU 17 HG LEU 17 -2.009 5.802 -1.062 104 1HD1 LEU 17 HD1 LEU 17 -1.726 8.039 -0.382 105 2HD1 LEU 17 HD1 LEU 17 -3.064 8.611 -1.407 106 3HD1 LEU 17 HD1 LEU 17 -3.406 7.625 0.035 107 1HD2 LEU 17 HD2 LEU 17 -4.366 6.213 -2.830 108 2HD2 LEU 17 HD2 LEU 17 -3.868 4.792 -1.882 109 3HD2 LEU 17 HD2 LEU 17 -4.655 6.169 -1.074 110 H ALA 18 H ALA 18 -0.093 5.914 -5.685 111 HA ALA 18 HA ALA 18 -1.351 3.490 -6.202 112 1HB ALA 18 HB1 ALA 18 0.626 3.740 -8.131 113 2HB ALA 18 HB2 ALA 18 -0.983 4.499 -8.192 114 3HB ALA 18 HB3 ALA 18 0.409 5.415 -7.567 115 H ARG 19 H ARG 19 2.112 4.277 -5.488 116 HA ARG 19 HA ARG 19 3.067 1.736 -5.832 117 1HB ARG 19 HB1 ARG 19 3.993 3.920 -3.900 118 2HB ARG 19 HB2 ARG 19 4.941 2.499 -4.290 119 1HG ARG 19 HG1 ARG 19 3.935 3.976 -6.670 120 2HG ARG 19 HG2 ARG 19 5.042 4.899 -5.673 121 1HD ARG 19 HD1 ARG 19 6.364 3.695 -7.326 122 2HD ARG 19 HD2 ARG 19 6.675 2.965 -5.764 123 HE ARG 19 HE ARG 19 5.625 0.995 -6.489 124 1HH1 ARG 19 HH1 ARG 19 3.951 0.302 -9.472 125 2HH1 ARG 19 HH1 ARG 19 4.621 -0.370 -8.023 126 1HH2 ARG 19 HH2 ARG 19 4.072 2.588 -9.855 127 2HH2 ARG 19 HH2 ARG 19 4.833 3.622 -8.692 128 H TYR 20 H TYR 20 1.136 3.154 -3.251 129 HA TYR 20 HA TYR 20 1.797 1.044 -1.373 130 1HB TYR 20 HB1 TYR 20 1.416 3.175 -0.349 131 2HB TYR 20 HB2 TYR 20 0.226 3.638 -1.548 132 HD1 TYR 20 HD1 TYR 20 -2.026 3.650 -0.953 133 HD2 TYR 20 HD2 TYR 20 0.686 1.183 1.252 134 HE1 TYR 20 HE1 TYR 20 -3.887 3.041 0.669 135 HE2 TYR 20 HE2 TYR 20 -1.184 0.583 2.867 136 HH TYR 20 HH TYR 20 -4.473 1.824 2.357 137 H TYR 21 H TYR 21 -0.396 1.602 -3.987 138 HA TYR 21 HA TYR 21 -2.369 -0.237 -2.852 139 1HB TYR 21 HB1 TYR 21 -2.217 2.050 -4.722 140 2HB TYR 21 HB2 TYR 21 -2.988 0.688 -5.511 141 HD1 TYR 21 HD1 TYR 21 -3.162 2.732 -2.378 142 HD2 TYR 21 HD2 TYR 21 -5.273 0.289 -5.186 143 HE1 TYR 21 HE1 TYR 21 -5.359 3.305 -1.235 144 HE2 TYR 21 HE2 TYR 21 -7.463 0.870 -4.033 145 HH TYR 21 HH TYR 21 -7.693 3.394 -1.768 146 H SER 22 H SER 22 0.077 0.133 -5.432 147 HA SER 22 HA SER 22 -0.763 -2.060 -6.930 148 1HB SER 22 HB1 SER 22 1.513 -0.206 -6.856 149 2HB SER 22 HB2 SER 22 2.021 -1.823 -7.302 150 HG SER 22 HG SER 22 1.008 -1.658 -9.195 151 H ALA 23 H ALA 23 1.477 -1.649 -4.147 152 HA ALA 23 HA ALA 23 2.344 -4.385 -4.261 153 1HB ALA 23 HB1 ALA 23 2.825 -1.980 -2.508 154 2HB ALA 23 HB2 ALA 23 3.288 -3.598 -1.928 155 3HB ALA 23 HB3 ALA 23 3.990 -2.958 -3.433 156 H LEU 24 H LEU 24 -0.422 -2.666 -3.126 157 HA LEU 24 HA LEU 24 -0.969 -4.227 -0.835 158 1HB LEU 24 HB1 LEU 24 -2.330 -2.189 -2.480 159 2HB LEU 24 HB2 LEU 24 -3.389 -3.301 -1.637 160 HG LEU 24 HG LEU 24 -2.444 -0.990 -0.592 161 1HD1 LEU 24 HD1 LEU 24 -3.227 -1.777 1.553 162 2HD1 LEU 24 HD1 LEU 24 -4.274 -2.418 0.265 163 3HD1 LEU 24 HD1 LEU 24 -3.062 -3.471 1.033 164 1HD2 LEU 24 HD2 LEU 24 -0.124 -2.281 -0.632 165 2HD2 LEU 24 HD2 LEU 24 -0.564 -1.167 0.685 166 3HD2 LEU 24 HD2 LEU 24 -0.740 -2.924 0.910 167 H ARG 25 H ARG 25 -0.849 -4.995 -4.147 168 HA ARG 25 HA ARG 25 -2.971 -6.931 -3.923 169 1HB ARG 25 HB1 ARG 25 -2.588 -5.490 -6.016 170 2HB ARG 25 HB2 ARG 25 -1.120 -6.404 -6.299 171 1HG ARG 25 HG1 ARG 25 -2.436 -7.852 -7.467 172 2HG ARG 25 HG2 ARG 25 -2.968 -8.437 -5.903 173 1HD ARG 25 HD1 ARG 25 -4.841 -6.762 -5.922 174 2HD ARG 25 HD2 ARG 25 -4.315 -6.201 -7.497 175 HE ARG 25 HE ARG 25 -5.828 -8.615 -6.947 176 1HH1 ARG 25 HH1 ARG 25 -5.554 -9.854 -10.198 177 2HH1 ARG 25 HH1 ARG 25 -6.387 -9.990 -8.685 178 1HH2 ARG 25 HH2 ARG 25 -3.872 -8.276 -10.459 179 2HH2 ARG 25 HH2 ARG 25 -3.449 -7.234 -9.141 180 H HIS 26 H HIS 26 0.511 -6.612 -3.683 181 HA HIS 26 HA HIS 26 0.889 -9.470 -4.061 182 1HB HIS 26 HB1 HIS 26 2.385 -7.365 -4.884 183 2HB HIS 26 HB2 HIS 26 3.175 -7.709 -3.358 184 HD1 HIS 26 HD1 HIS 26 4.840 -9.602 -3.337 185 HD2 HIS 26 HD2 HIS 26 2.321 -9.713 -6.690 186 HE1 HIS 26 HE1 HIS 26 5.741 -11.451 -4.847 187 H TYR 27 H TYR 27 0.544 -6.995 -1.597 188 HA TYR 27 HA TYR 27 1.743 -8.660 0.450 189 1HB TYR 27 HB1 TYR 27 2.005 -6.169 0.415 190 2HB TYR 27 HB2 TYR 27 0.268 -5.960 0.308 191 HD1 TYR 27 HD1 TYR 27 -1.037 -5.734 2.257 192 HD2 TYR 27 HD2 TYR 27 2.953 -7.249 2.561 193 HE1 TYR 27 HE1 TYR 27 -1.170 -5.596 4.792 194 HE2 TYR 27 HE2 TYR 27 2.807 -7.106 5.095 195 HH TYR 27 HH TYR 27 -0.183 -5.998 6.668 196 H ILE 28 H ILE 28 -1.402 -7.991 -0.977 197 HA ILE 28 HA ILE 28 -2.799 -8.999 1.353 198 HB ILE 28 HB ILE 28 -3.666 -7.872 -1.301 199 1HG1 ILE 28 1HG1 ILE 28 -2.860 -6.264 0.367 200 2HG1 ILE 28 2HG1 ILE 28 -4.571 -6.065 0.041 201 1HG2 ILE 28 1HG2 ILE 28 -5.280 -9.547 -0.911 202 2HG2 ILE 28 2HG2 ILE 28 -5.332 -9.209 0.836 203 3HG2 ILE 28 3HG2 ILE 28 -6.004 -8.033 -0.319 204 1HD1 ILE 28 1HD1 ILE 28 -3.229 -6.771 2.553 205 2HD1 ILE 28 2HD1 ILE 28 -4.891 -6.191 2.284 206 3HD1 ILE 28 3HD1 ILE 28 -4.520 -7.927 2.146 207 H ASN 29 H ASN 29 -1.122 -10.245 -1.329 208 HA ASN 29 HA ASN 29 -2.724 -12.224 -2.261 209 1HB ASN 29 HB1 ASN 29 -0.513 -11.774 -3.229 210 2HB ASN 29 HB2 ASN 29 0.289 -12.203 -1.731 211 1HD2 ASN 29 HD2 ASN 29 0.062 -13.235 -4.658 212 2HD2 ASN 29 HD2 ASN 29 -0.048 -14.955 -4.490 213 H LEU 30 H LEU 30 -0.858 -11.954 0.784 214 HA LEU 30 HA LEU 30 -1.027 -14.677 1.508 215 1HB LEU 30 HB1 LEU 30 0.571 -13.833 2.785 216 2HB LEU 30 HB2 LEU 30 -0.009 -12.191 2.589 217 HG LEU 30 HG LEU 30 -1.763 -12.729 4.361 218 1HD1 LEU 30 HD1 LEU 30 -0.583 -15.325 4.105 219 2HD1 LEU 30 HD1 LEU 30 -0.313 -14.724 5.759 220 3HD1 LEU 30 HD1 LEU 30 -1.965 -14.808 5.100 221 1HD2 LEU 30 HD2 LEU 30 -0.106 -12.465 6.234 222 2HD2 LEU 30 HD2 LEU 30 1.188 -12.659 5.027 223 3HD2 LEU 30 HD2 LEU 30 0.056 -11.291 4.905 224 H ALA 31 H ALA 31 -3.357 -12.151 1.292 225 HA ALA 31 HA ALA 31 -5.014 -13.187 3.419 226 1HB ALA 31 HB1 ALA 31 -6.293 -11.333 1.571 227 2HB ALA 31 HB2 ALA 31 -5.932 -11.136 3.302 228 3HB ALA 31 HB3 ALA 31 -4.699 -10.729 2.084 229 1HN AIB 32 1HN AIB 32 -4.572 -15.349 1.932 230 1HB1 AIB 32 1HB1 AIB 32 -5.657 -18.013 -0.291 231 2HB1 AIB 32 2HB1 AIB 32 -5.059 -17.879 1.384 232 3HB1 AIB 32 3HB1 AIB 32 -4.198 -17.050 0.075 233 1HB2 AIB 32 1HB2 AIB 32 -7.524 -14.995 -0.668 234 2HB2 AIB 32 2HB2 AIB 32 -6.583 -16.230 -1.521 235 3HB2 AIB 32 3HB2 AIB 32 -5.799 -14.706 -1.027 236 H ARG 33 H ARG 33 -6.394 -16.551 3.223 237 HA ARG 33 HA ARG 33 -9.249 -16.930 2.852 238 1HB ARG 33 HB1 ARG 33 -7.791 -18.611 4.898 239 2HB ARG 33 HB2 ARG 33 -9.285 -18.961 4.051 240 1HG ARG 33 HG1 ARG 33 -6.559 -18.866 2.679 241 2HG ARG 33 HG2 ARG 33 -7.275 -20.340 3.300 242 1HD ARG 33 HD1 ARG 33 -8.971 -18.652 1.468 243 2HD ARG 33 HD2 ARG 33 -7.639 -19.531 0.744 244 HE ARG 33 HE ARG 33 -10.082 -20.682 1.870 245 1HH1 ARG 33 HH1 ARG 33 -9.038 -23.961 1.292 246 2HH1 ARG 33 HH1 ARG 33 -10.378 -22.941 1.697 247 1HH2 ARG 33 HH2 ARG 33 -6.943 -23.033 0.925 248 2HH2 ARG 33 HH2 ARG 33 -6.719 -21.321 1.056 249 H GLN 34 H GLN 34 -6.477 -16.375 5.109 250 HA GLN 34 HA GLN 34 -7.784 -15.783 7.376 251 1HB GLN 34 HB1 GLN 34 -5.179 -15.422 6.345 252 2HB GLN 34 HB2 GLN 34 -5.654 -13.829 6.898 253 1HG GLN 34 HG1 GLN 34 -6.262 -14.761 9.125 254 2HG GLN 34 HG2 GLN 34 -5.849 -16.374 8.578 255 1HE2 GLN 34 1HE2 GLN 34 -4.280 -16.643 10.126 256 2HE2 GLN 34 2HE2 GLN 34 -2.740 -15.852 10.083 257 H ARG 35 H ARG 35 -7.816 -13.988 4.359 258 HA ARG 35 HA ARG 35 -8.812 -11.632 5.665 259 1HB ARG 35 HB1 ARG 35 -7.458 -12.189 3.208 260 2HB ARG 35 HB2 ARG 35 -9.039 -11.587 2.751 261 1HG ARG 35 HG1 ARG 35 -7.004 -10.205 4.556 262 2HG ARG 35 HG2 ARG 35 -7.524 -9.685 2.966 263 1HD ARG 35 HD1 ARG 35 -9.932 -9.921 4.425 264 2HD ARG 35 HD2 ARG 35 -8.803 -9.237 5.578 265 HE ARG 35 HE ARG 35 -8.670 -7.271 4.282 266 1HH1 ARG 35 HH1 ARG 35 -10.329 -6.466 1.319 267 2HH1 ARG 35 HH1 ARG 35 -9.379 -5.857 2.633 268 1HH2 ARG 35 HH2 ARG 35 -10.882 -8.719 1.234 269 2HH2 ARG 35 HH2 ARG 35 -10.345 -9.790 2.484 270 H TYR 36 H TYR 36 -10.371 -14.121 5.889 271 HA TYR 36 HA TYR 36 -12.886 -13.096 4.975 272 1HB TYR 36 HB1 TYR 36 -12.661 -14.302 2.973 273 2HB TYR 36 HB2 TYR 36 -11.304 -15.221 3.593 274 HD1 TYR 36 HD1 TYR 36 -15.010 -14.965 4.181 275 HD2 TYR 36 HD2 TYR 36 -11.593 -17.510 3.785 276 HE1 TYR 36 HE1 TYR 36 -16.497 -17.012 4.424 277 HE2 TYR 36 HE2 TYR 36 -13.093 -19.549 4.029 278 HH TYR 36 HH TYR 36 -16.605 -19.188 4.236 279 1HN NH2 37 HN1 NH2 237 -11.245 -16.112 5.979 280 2HN NH2 37 HN2 NH2 237 -12.280 -16.462 7.323 Start of MODEL 30 1 H TYR 1 H TYR 1 3.252 6.018 -20.169 2 HA TYR 1 HA TYR 1 3.875 4.077 -19.286 3 1HB TYR 1 HB1 TYR 1 3.640 5.491 -16.577 4 2HB TYR 1 HB2 TYR 1 4.876 4.352 -17.074 5 HD1 TYR 1 HD1 TYR 1 6.644 5.082 -18.726 6 HD2 TYR 1 HD2 TYR 1 3.897 7.836 -16.945 7 HE1 TYR 1 HE1 TYR 1 8.165 7.018 -19.357 8 HE2 TYR 1 HE2 TYR 1 5.427 9.764 -17.583 9 HH TYR 1 HH TYR 1 8.605 9.297 -18.547 10 HA PRO 2 HA PRO 2 -0.281 3.099 -17.660 11 1HB PRO 2 HB1 PRO 2 -1.257 1.710 -19.801 12 2HB PRO 2 HB2 PRO 2 -1.590 3.409 -19.528 13 1HG PRO 2 HG1 PRO 2 0.248 2.172 -21.485 14 2HG PRO 2 HG2 PRO 2 -0.415 3.795 -21.475 15 1HD PRO 2 HD1 PRO 2 2.245 3.022 -20.729 16 2HD PRO 2 HD2 PRO 2 1.547 4.625 -20.609 17 H SER 3 H SER 3 -0.754 1.350 -16.419 18 HA SER 3 HA SER 3 -0.670 -0.756 -15.790 19 1HB SER 3 HB1 SER 3 -0.089 -1.125 -18.444 20 2HB SER 3 HB2 SER 3 1.398 -1.707 -17.723 21 HG SER 3 HG SER 3 0.094 -3.145 -16.371 22 H LYS 4 H LYS 4 2.611 0.012 -17.189 23 HA LYS 4 HA LYS 4 3.798 -0.766 -14.655 24 1HB LYS 4 HB1 LYS 4 5.371 0.156 -17.038 25 2HB LYS 4 HB2 LYS 4 5.795 -1.016 -15.806 26 1HG LYS 4 HG1 LYS 4 3.757 -1.376 -18.049 27 2HG LYS 4 HG2 LYS 4 5.288 -2.212 -17.876 28 1HD LYS 4 HD1 LYS 4 4.499 -3.346 -15.837 29 2HD LYS 4 HD2 LYS 4 3.015 -2.415 -15.846 30 1HE LYS 4 HE1 LYS 4 2.082 -4.068 -17.094 31 2HE LYS 4 HE2 LYS 4 3.102 -3.555 -18.423 32 1HZ LYS 4 HZ1 LYS 4 4.841 -5.013 -17.340 33 2HZ LYS 4 HZ2 LYS 4 3.623 -5.666 -16.469 34 3HZ LYS 4 HZ3 LYS 4 3.608 -5.769 -18.099 35 HA PRO 5 HA PRO 5 4.459 3.294 -13.352 36 1HB PRO 5 HB1 PRO 5 6.744 3.079 -11.869 37 2HB PRO 5 HB2 PRO 5 5.166 2.605 -11.272 38 1HG PRO 5 HG1 PRO 5 7.397 0.890 -12.181 39 2HG PRO 5 HG2 PRO 5 6.008 0.459 -11.203 40 1HD PRO 5 HD1 PRO 5 6.395 -0.122 -13.985 41 2HD PRO 5 HD2 PRO 5 4.959 -0.450 -13.035 42 H ASP 6 H ASP 6 6.266 5.101 -13.038 43 HA ASP 6 HA ASP 6 7.639 5.031 -15.609 44 1HB ASP 6 HB1 ASP 6 7.531 7.516 -15.543 45 2HB ASP 6 HB2 ASP 6 5.934 6.797 -15.495 46 H ASN 7 H ASN 7 9.597 6.837 -15.439 47 HA ASN 7 HA ASN 7 11.443 5.762 -13.729 48 1HB ASN 7 HB1 ASN 7 11.261 8.052 -15.582 49 2HB ASN 7 HB2 ASN 7 12.301 8.419 -14.221 50 1HD2 ASN 7 HD2 ASN 7 12.101 7.027 -17.230 51 2HD2 ASN 7 HD2 ASN 7 13.554 6.085 -17.248 52 HA PRO 8 HA PRO 8 10.839 8.025 -10.020 53 1HB PRO 8 HB1 PRO 8 13.366 8.349 -9.032 54 2HB PRO 8 HB2 PRO 8 12.470 6.850 -8.896 55 1HG PRO 8 HG1 PRO 8 14.719 7.508 -10.698 56 2HG PRO 8 HG2 PRO 8 14.099 5.932 -10.246 57 1HD PRO 8 HD1 PRO 8 13.660 7.301 -12.728 58 2HD PRO 8 HD2 PRO 8 12.947 5.780 -12.230 59 H GLY 9 H GLY 9 10.102 10.005 -9.605 60 1HA GLY 9 HA1 GLY 9 11.190 12.283 -9.239 61 2HA GLY 9 HA2 GLY 9 11.589 12.173 -10.942 62 H GLU 10 H GLU 10 8.752 11.836 -8.697 63 HA GLU 10 HA GLU 10 7.222 13.276 -10.714 64 1HB GLU 10 HB1 GLU 10 5.863 11.184 -9.020 65 2HB GLU 10 HB2 GLU 10 5.404 11.800 -10.595 66 1HG GLU 10 HG1 GLU 10 7.865 10.064 -10.079 67 2HG GLU 10 HG2 GLU 10 6.329 9.450 -10.659 68 H ASP 11 H ASP 11 7.215 12.080 -7.277 69 HA ASP 11 HA ASP 11 6.489 12.976 -5.434 70 1HB ASP 11 HB1 ASP 11 7.598 15.444 -6.831 71 2HB ASP 11 HB2 ASP 11 6.997 15.519 -5.186 72 H ALA 12 H ALA 12 4.190 12.706 -5.545 73 HA ALA 12 HA ALA 12 2.582 14.919 -5.462 74 1HB ALA 12 HB1 ALA 12 1.510 14.032 -7.904 75 2HB ALA 12 HB2 ALA 12 2.361 15.567 -7.606 76 3HB ALA 12 HB3 ALA 12 3.262 14.148 -8.191 77 HA PRO 13 HA PRO 13 -0.151 11.781 -4.284 78 1HB PRO 13 HB1 PRO 13 -2.630 12.846 -4.719 79 2HB PRO 13 HB2 PRO 13 -1.636 13.265 -3.338 80 1HG PRO 13 HG1 PRO 13 -2.189 14.848 -5.772 81 2HG PRO 13 HG2 PRO 13 -1.569 15.393 -4.226 82 1HD PRO 13 HD1 PRO 13 -0.062 14.988 -6.634 83 2HD PRO 13 HD2 PRO 13 0.574 15.420 -5.059 84 H ALA 14 H ALA 14 -1.794 10.134 -4.811 85 HA ALA 14 HA ALA 14 -2.883 8.844 -6.286 86 1HB ALA 14 HB1 ALA 14 -3.591 9.705 -8.266 87 2HB ALA 14 HB2 ALA 14 -2.864 11.215 -7.667 88 3HB ALA 14 HB3 ALA 14 -1.945 10.161 -8.769 89 H GLU 15 H GLU 15 0.298 10.087 -7.518 90 HA GLU 15 HA GLU 15 0.956 7.446 -8.404 91 1HB GLU 15 HB1 GLU 15 1.756 10.091 -9.072 92 2HB GLU 15 HB2 GLU 15 3.190 9.317 -8.427 93 1HG GLU 15 HG1 GLU 15 3.178 8.837 -10.785 94 2HG GLU 15 HG2 GLU 15 2.730 7.344 -9.983 95 H ASP 16 H ASP 16 0.948 9.038 -5.438 96 HA ASP 16 HA ASP 16 3.393 7.762 -4.554 97 1HB ASP 16 HB1 ASP 16 1.624 9.974 -3.554 98 2HB ASP 16 HB2 ASP 16 2.440 9.021 -2.330 99 H LEU 17 H LEU 17 -0.138 7.617 -4.461 100 HA LEU 17 HA LEU 17 -0.128 5.768 -2.217 101 1HB LEU 17 HB1 LEU 17 -1.820 7.756 -2.889 102 2HB LEU 17 HB2 LEU 17 -2.620 6.413 -3.681 103 HG LEU 17 HG LEU 17 -1.869 5.671 -0.985 104 1HD1 LEU 17 HD1 LEU 17 -3.598 8.148 -1.231 105 2HD1 LEU 17 HD1 LEU 17 -3.335 7.196 0.250 106 3HD1 LEU 17 HD1 LEU 17 -1.975 8.061 -0.506 107 1HD2 LEU 17 HD2 LEU 17 -4.695 6.051 -1.905 108 2HD2 LEU 17 HD2 LEU 17 -3.682 4.806 -2.674 109 3HD2 LEU 17 HD2 LEU 17 -3.974 4.755 -0.919 110 H ALA 18 H ALA 18 0.058 5.809 -5.676 111 HA ALA 18 HA ALA 18 -1.300 3.408 -6.219 112 1HB ALA 18 HB1 ALA 18 -0.812 4.044 -8.319 113 2HB ALA 18 HB2 ALA 18 0.049 5.442 -7.630 114 3HB ALA 18 HB3 ALA 18 0.936 3.944 -8.000 115 H ARG 19 H ARG 19 2.168 4.195 -5.528 116 HA ARG 19 HA ARG 19 3.119 1.653 -5.882 117 1HB ARG 19 HB1 ARG 19 5.030 2.403 -4.429 118 2HB ARG 19 HB2 ARG 19 4.605 3.597 -5.640 119 1HG ARG 19 HG1 ARG 19 4.051 5.139 -4.061 120 2HG ARG 19 HG2 ARG 19 3.028 4.002 -3.205 121 1HD ARG 19 HD1 ARG 19 5.862 3.323 -2.851 122 2HD ARG 19 HD2 ARG 19 5.553 4.978 -2.366 123 HE ARG 19 HE ARG 19 3.552 3.101 -1.346 124 1HH1 ARG 19 HH1 ARG 19 4.805 3.236 1.909 125 2HH1 ARG 19 HH1 ARG 19 3.480 2.740 0.910 126 1HH2 ARG 19 HH2 ARG 19 6.653 4.267 0.957 127 2HH2 ARG 19 HH2 ARG 19 6.707 4.541 -0.752 128 H TYR 20 H TYR 20 1.209 3.068 -3.284 129 HA TYR 20 HA TYR 20 1.884 0.955 -1.415 130 1HB TYR 20 HB1 TYR 20 1.517 3.084 -0.383 131 2HB TYR 20 HB2 TYR 20 0.316 3.552 -1.571 132 HD1 TYR 20 HD1 TYR 20 -1.986 3.352 -1.099 133 HD2 TYR 20 HD2 TYR 20 0.853 1.307 1.363 134 HE1 TYR 20 HE1 TYR 20 -3.833 2.745 0.539 135 HE2 TYR 20 HE2 TYR 20 -1.004 0.707 2.993 136 HH TYR 20 HH TYR 20 -4.060 0.672 2.307 137 H TYR 21 H TYR 21 -0.324 1.515 -4.013 138 HA TYR 21 HA TYR 21 -2.295 -0.317 -2.863 139 1HB TYR 21 HB1 TYR 21 -2.150 1.968 -4.736 140 2HB TYR 21 HB2 TYR 21 -2.930 0.607 -5.518 141 HD1 TYR 21 HD1 TYR 21 -3.850 3.498 -4.266 142 HD2 TYR 21 HD2 TYR 21 -4.440 -0.628 -3.298 143 HE1 TYR 21 HE1 TYR 21 -6.036 4.075 -3.102 144 HE2 TYR 21 HE2 TYR 21 -6.624 -0.036 -2.138 145 HH TYR 21 HH TYR 21 -8.109 2.982 -2.525 146 H SER 22 H SER 22 0.135 0.043 -5.458 147 HA SER 22 HA SER 22 -0.722 -2.151 -6.946 148 1HB SER 22 HB1 SER 22 1.420 -0.221 -7.001 149 2HB SER 22 HB2 SER 22 2.127 -1.812 -7.199 150 HG SER 22 HG SER 22 1.559 -1.097 -9.263 151 H ALA 23 H ALA 23 1.549 -1.736 -4.189 152 HA ALA 23 HA ALA 23 2.408 -4.474 -4.303 153 1HB ALA 23 HB1 ALA 23 4.097 -3.182 -3.436 154 2HB ALA 23 HB2 ALA 23 2.973 -2.022 -2.688 155 3HB ALA 23 HB3 ALA 23 3.279 -3.593 -1.909 156 H LEU 24 H LEU 24 -0.349 -2.755 -3.156 157 HA LEU 24 HA LEU 24 -0.876 -4.308 -0.852 158 1HB LEU 24 HB1 LEU 24 -2.244 -2.268 -2.487 159 2HB LEU 24 HB2 LEU 24 -3.303 -3.380 -1.643 160 HG LEU 24 HG LEU 24 -2.359 -1.074 -0.594 161 1HD1 LEU 24 HD1 LEU 24 -2.733 -2.444 1.694 162 2HD1 LEU 24 HD1 LEU 24 -4.059 -1.921 0.628 163 3HD1 LEU 24 HD1 LEU 24 -3.448 -3.590 0.535 164 1HD2 LEU 24 HD2 LEU 24 -0.467 -1.243 0.665 165 2HD2 LEU 24 HD2 LEU 24 -0.630 -3.002 0.888 166 3HD2 LEU 24 HD2 LEU 24 -0.032 -2.352 -0.658 167 H ARG 25 H ARG 25 -0.797 -5.075 -4.170 168 HA ARG 25 HA ARG 25 -2.914 -7.013 -3.919 169 1HB ARG 25 HB1 ARG 25 -2.552 -5.573 -6.017 170 2HB ARG 25 HB2 ARG 25 -1.089 -6.489 -6.316 171 1HG ARG 25 HG1 ARG 25 -2.412 -7.948 -7.459 172 2HG ARG 25 HG2 ARG 25 -2.949 -8.514 -5.890 173 1HD ARG 25 HD1 ARG 25 -4.810 -6.831 -5.925 174 2HD ARG 25 HD2 ARG 25 -4.275 -6.275 -7.498 175 HE ARG 25 HE ARG 25 -4.606 -9.042 -7.793 176 1HH1 ARG 25 HH1 ARG 25 -8.033 -9.166 -8.444 177 2HH1 ARG 25 HH1 ARG 25 -6.524 -10.004 -8.581 178 1HH2 ARG 25 HH2 ARG 25 -8.107 -7.065 -7.460 179 2HH2 ARG 25 HH2 ARG 25 -6.654 -6.336 -6.863 180 H HIS 26 H HIS 26 0.571 -6.695 -3.720 181 HA HIS 26 HA HIS 26 0.967 -9.540 -4.134 182 1HB HIS 26 HB1 HIS 26 2.457 -7.441 -4.911 183 2HB HIS 26 HB2 HIS 26 3.205 -7.733 -3.354 184 HD1 HIS 26 HD1 HIS 26 3.228 -8.884 -6.824 185 HD2 HIS 26 HD2 HIS 26 4.212 -10.516 -3.087 186 HE1 HIS 26 HE1 HIS 26 4.686 -10.924 -7.297 187 H TYR 27 H TYR 27 0.660 -7.099 -1.604 188 HA TYR 27 HA TYR 27 1.802 -8.827 0.412 189 1HB TYR 27 HB1 TYR 27 2.088 -6.375 0.535 190 2HB TYR 27 HB2 TYR 27 0.381 -6.107 0.246 191 HD1 TYR 27 HD1 TYR 27 2.619 -7.808 2.737 192 HD2 TYR 27 HD2 TYR 27 -0.971 -5.582 2.061 193 HE1 TYR 27 HE1 TYR 27 2.206 -7.699 5.244 194 HE2 TYR 27 HE2 TYR 27 -1.372 -5.480 4.570 195 HH TYR 27 HH TYR 27 -0.750 -6.817 6.545 196 H ILE 28 H ILE 28 -1.390 -7.892 -0.875 197 HA ILE 28 HA ILE 28 -2.779 -9.053 1.355 198 HB ILE 28 HB ILE 28 -3.672 -7.914 -1.291 199 1HG1 ILE 28 1HG1 ILE 28 -2.697 -6.369 0.450 200 2HG1 ILE 28 2HG1 ILE 28 -4.324 -5.991 -0.082 201 1HG2 ILE 28 1HG2 ILE 28 -5.137 -9.530 0.676 202 2HG2 ILE 28 2HG2 ILE 28 -5.906 -7.971 0.294 203 3HG2 ILE 28 3HG2 ILE 28 -5.534 -9.123 -1.011 204 1HD1 ILE 28 1HD1 ILE 28 -3.468 -6.386 2.579 205 2HD1 ILE 28 2HD1 ILE 28 -5.150 -6.244 2.013 206 3HD1 ILE 28 3HD1 ILE 28 -4.399 -7.849 2.175 207 H ASN 29 H ASN 29 -1.128 -10.226 -1.389 208 HA ASN 29 HA ASN 29 -2.762 -12.189 -2.324 209 1HB ASN 29 HB1 ASN 29 -0.536 -11.606 -3.297 210 2HB ASN 29 HB2 ASN 29 0.271 -12.273 -1.891 211 1HD2 ASN 29 HD2 ASN 29 -0.663 -12.855 -4.988 212 2HD2 ASN 29 HD2 ASN 29 -0.661 -14.587 -5.023 213 H LEU 30 H LEU 30 -1.243 -11.806 0.796 214 HA LEU 30 HA LEU 30 -1.275 -14.635 1.406 215 1HB LEU 30 HB1 LEU 30 0.155 -14.137 3.029 216 2HB LEU 30 HB2 LEU 30 0.344 -12.620 2.172 217 HG LEU 30 HG LEU 30 0.088 -11.979 4.393 218 1HD1 LEU 30 HD1 LEU 30 -1.497 -10.438 4.110 219 2HD1 LEU 30 HD1 LEU 30 -1.847 -11.239 2.560 220 3HD1 LEU 30 HD1 LEU 30 -2.788 -11.659 4.011 221 1HD2 LEU 30 HD2 LEU 30 -2.374 -13.215 5.238 222 2HD2 LEU 30 HD2 LEU 30 -1.215 -14.455 4.702 223 3HD2 LEU 30 HD2 LEU 30 -0.754 -13.294 5.969 224 H ALA 31 H ALA 31 -3.389 -11.879 1.499 225 HA ALA 31 HA ALA 31 -5.107 -13.265 3.437 226 1HB ALA 31 HB1 ALA 31 -4.250 -10.557 3.191 227 2HB ALA 31 HB2 ALA 31 -5.986 -10.596 2.798 228 3HB ALA 31 HB3 ALA 31 -5.412 -11.240 4.355 229 1HN AIB 32 1HN AIB 32 -7.217 -13.819 2.822 230 1HB1 AIB 32 1HB1 AIB 32 -8.285 -15.736 -0.120 231 2HB1 AIB 32 2HB1 AIB 32 -6.611 -15.176 0.138 232 3HB1 AIB 32 3HB1 AIB 32 -7.596 -14.440 -1.139 233 1HB2 AIB 32 1HB2 AIB 32 -9.650 -12.210 0.535 234 2HB2 AIB 32 2HB2 AIB 32 -8.684 -12.626 -0.891 235 3HB2 AIB 32 3HB2 AIB 32 -7.944 -11.693 0.437 236 H ARG 33 H ARG 33 -8.147 -15.328 3.072 237 HA ARG 33 HA ARG 33 -11.030 -15.650 2.884 238 1HB ARG 33 HB1 ARG 33 -8.822 -17.481 3.478 239 2HB ARG 33 HB2 ARG 33 -9.976 -17.487 4.796 240 1HG ARG 33 HG1 ARG 33 -10.976 -17.667 1.941 241 2HG ARG 33 HG2 ARG 33 -10.327 -19.098 2.718 242 1HD ARG 33 HD1 ARG 33 -12.380 -19.405 3.648 243 2HD ARG 33 HD2 ARG 33 -12.043 -18.023 4.672 244 HE ARG 33 HE ARG 33 -13.501 -16.723 3.374 245 1HH1 ARG 33 HH1 ARG 33 -15.197 -17.497 0.423 246 2HH1 ARG 33 HH1 ARG 33 -15.033 -16.357 1.718 247 1HH2 ARG 33 HH2 ARG 33 -13.862 -19.394 0.371 248 2HH2 ARG 33 HH2 ARG 33 -12.701 -19.672 1.627 249 H GLN 34 H GLN 34 -8.255 -14.878 5.039 250 HA GLN 34 HA GLN 34 -9.541 -14.760 7.427 251 1HB GLN 34 HB1 GLN 34 -7.105 -13.580 6.235 252 2HB GLN 34 HB2 GLN 34 -7.753 -12.629 7.556 253 1HG GLN 34 HG1 GLN 34 -6.170 -14.280 8.446 254 2HG GLN 34 HG2 GLN 34 -7.784 -14.663 9.011 255 1HE2 GLN 34 1HE2 GLN 34 -8.447 -16.658 8.813 256 2HE2 GLN 34 2HE2 GLN 34 -7.838 -17.864 7.730 257 H ARG 35 H ARG 35 -9.412 -12.312 4.790 258 HA ARG 35 HA ARG 35 -11.129 -10.620 6.388 259 1HB ARG 35 HB1 ARG 35 -9.277 -10.212 4.063 260 2HB ARG 35 HB2 ARG 35 -10.706 -9.197 4.077 261 1HG ARG 35 HG1 ARG 35 -10.016 -8.836 6.648 262 2HG ARG 35 HG2 ARG 35 -8.432 -9.302 6.060 263 1HD ARG 35 HD1 ARG 35 -8.614 -6.870 5.918 264 2HD ARG 35 HD2 ARG 35 -8.592 -7.512 4.288 265 HE ARG 35 HE ARG 35 -11.313 -7.308 5.238 266 1HH1 ARG 35 HH1 ARG 35 -11.972 -4.272 3.648 267 2HH1 ARG 35 HH1 ARG 35 -12.666 -5.654 4.427 268 1HH2 ARG 35 HH2 ARG 35 -9.668 -4.100 3.426 269 2HH2 ARG 35 HH2 ARG 35 -8.643 -5.354 4.041 270 H TYR 36 H TYR 36 -12.009 -13.208 5.124 271 HA TYR 36 HA TYR 36 -13.574 -14.046 3.769 272 1HB TYR 36 HB1 TYR 36 -14.982 -11.367 4.258 273 2HB TYR 36 HB2 TYR 36 -15.721 -12.956 4.204 274 HD1 TYR 36 HD1 TYR 36 -14.532 -10.385 6.327 275 HD2 TYR 36 HD2 TYR 36 -14.958 -14.636 6.095 276 HE1 TYR 36 HE1 TYR 36 -14.390 -10.545 8.860 277 HE2 TYR 36 HE2 TYR 36 -14.814 -14.782 8.629 278 HH TYR 36 HH TYR 36 -13.607 -13.055 10.464 279 1HN NH2 37 HN1 NH2 237 -12.580 -14.041 1.778 280 2HN NH2 37 HN2 NH2 237 -12.914 -12.871 0.544
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