NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11756 | 1ryv | 6066 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1H GLU 1 11.026 6.099 -4.711 2 2H GLU 1 2H GLU 1 11.703 4.595 -4.307 3 3H GLU 1 3H GLU 1 12.608 6.019 -4.103 4 HA GLU 1 HA GLU 1 11.830 5.320 -1.950 5 1HB GLU 1 2HB GLU 1 11.513 7.783 -3.198 6 2HB GLU 1 1HB GLU 1 9.940 7.515 -2.448 7 1HG GLU 1 2HG GLU 1 12.483 7.056 -0.895 8 2HG GLU 1 1HG GLU 1 11.787 8.670 -1.032 9 H CYS 2 H CYS 2 10.388 3.941 -0.997 10 HA CYS 2 HA CYS 2 7.637 3.712 -2.182 11 1HB CYS 2 2HB CYS 2 7.769 1.363 -1.654 12 2HB CYS 2 1HB CYS 2 9.281 1.793 -2.452 13 H LEU 3 H LEU 3 6.122 2.628 -0.415 14 HA LEU 3 HA LEU 3 6.501 4.147 2.147 15 1HB LEU 3 2HB LEU 3 4.017 3.237 0.652 16 2HB LEU 3 1HB LEU 3 3.997 4.089 2.195 17 HG LEU 3 HG LEU 3 5.336 5.193 -0.290 18 1HD1 LEU 3 1HD1 LEU 3 2.619 5.934 0.829 19 2HD1 LEU 3 2HD1 LEU 3 2.846 4.864 -0.554 20 3HD1 LEU 3 3HD1 LEU 3 3.368 6.546 -0.645 21 1HD2 LEU 3 1HD2 LEU 3 4.432 6.500 2.298 22 2HD2 LEU 3 2HD2 LEU 3 5.266 7.300 0.967 23 3HD2 LEU 3 3HD2 LEU 3 6.099 6.068 1.914 24 H GLY 4 H GLY 4 6.697 2.911 3.976 25 1HA GLY 4 2HA GLY 4 6.638 0.013 3.820 26 2HA GLY 4 1HA GLY 4 6.903 0.962 5.282 27 H PHE 5 H PHE 5 5.400 -1.111 5.794 28 HA PHE 5 HA PHE 5 2.584 -0.954 5.232 29 1HB PHE 5 2HB PHE 5 3.713 -2.982 5.988 30 2HB PHE 5 1HB PHE 5 4.200 -2.193 7.487 31 HD1 PHE 5 HD1 PHE 5 1.132 -3.050 5.503 32 HD2 PHE 5 HD2 PHE 5 2.846 -2.383 9.383 33 HE1 PHE 5 HE1 PHE 5 -0.997 -3.749 6.564 34 HE2 PHE 5 HE2 PHE 5 0.717 -3.082 10.444 35 HZ PHE 5 HZ PHE 5 -1.203 -3.765 9.034 36 H GLY 6 H GLY 6 1.085 0.445 6.074 37 1HA GLY 6 2HA GLY 6 0.093 1.469 8.111 38 2HA GLY 6 1HA GLY 6 1.732 1.832 8.646 39 H LYS 7 H LYS 7 2.704 2.747 6.070 40 HA LYS 7 HA LYS 7 1.998 5.521 6.195 41 1HB LYS 7 2HB LYS 7 3.451 3.714 4.268 42 2HB LYS 7 1HB LYS 7 3.200 5.414 3.870 43 1HG LYS 7 2HG LYS 7 4.089 5.573 6.467 44 2HG LYS 7 1HG LYS 7 5.010 4.199 5.852 45 1HD LYS 7 2HD LYS 7 6.113 5.470 4.257 46 2HD LYS 7 1HD LYS 7 4.809 6.654 4.149 47 1HE LYS 7 2HE LYS 7 5.409 7.443 6.466 48 2HE LYS 7 1HE LYS 7 6.819 6.366 6.409 49 1HZ LYS 7 1HZ LYS 7 6.176 8.489 4.427 50 2HZ LYS 7 2HZ LYS 7 7.508 7.437 4.348 51 3HZ LYS 7 3HZ LYS 7 7.394 8.576 5.603 52 H GLY 8 H GLY 8 0.459 6.704 5.076 53 1HA GLY 8 2HA GLY 8 -1.573 5.196 3.554 54 2HA GLY 8 1HA GLY 8 -1.709 6.873 4.080 55 H CYS 9 H CYS 9 -2.020 5.548 1.355 56 HA CYS 9 HA CYS 9 -0.423 7.562 -0.136 57 1HB CYS 9 2HB CYS 9 0.920 6.031 -1.178 58 2HB CYS 9 1HB CYS 9 0.548 5.035 0.225 59 H ASN 10 H ASN 10 -1.061 7.222 -2.641 60 HA ASN 10 HA ASN 10 -3.997 7.409 -2.744 61 1HB ASN 10 2HB ASN 10 -1.736 7.742 -4.738 62 2HB ASN 10 1HB ASN 10 -3.431 7.978 -5.163 63 1HD2 ASN 10 1HD2 ASN 10 -0.673 9.490 -3.718 64 2HD2 ASN 10 2HD2 ASN 10 -1.456 10.895 -3.179 65 HA PRO 11 HA PRO 11 -4.570 3.205 -4.008 66 1HB PRO 11 2HB PRO 11 -7.084 3.450 -5.069 67 2HB PRO 11 1HB PRO 11 -6.764 3.429 -3.323 68 1HG PRO 11 2HG PRO 11 -7.286 5.742 -5.124 69 2HG PRO 11 1HG PRO 11 -7.838 5.453 -3.466 70 1HD PRO 11 2HD PRO 11 -5.775 7.117 -4.086 71 2HD PRO 11 1HD PRO 11 -5.900 6.248 -2.542 72 H SER 12 H SER 12 -5.283 5.844 -6.315 73 HA SER 12 HA SER 12 -5.287 4.269 -8.715 74 1HB SER 12 2HB SER 12 -4.910 6.485 -9.776 75 2HB SER 12 1HB SER 12 -6.137 6.578 -8.518 76 HG SER 12 HG SER 12 -4.839 7.771 -7.340 77 H ASN 13 H ASN 13 -2.678 5.678 -6.786 78 HA ASN 13 HA ASN 13 -0.694 4.347 -8.592 79 1HB ASN 13 2HB ASN 13 -0.942 6.937 -8.648 80 2HB ASN 13 1HB ASN 13 -0.192 6.902 -7.051 81 1HD2 ASN 13 1HD2 ASN 13 0.375 6.180 -10.494 82 2HD2 ASN 13 2HD2 ASN 13 2.062 6.053 -10.360 83 H ASP 14 H ASP 14 -1.081 2.586 -6.933 84 HA ASP 14 HA ASP 14 -0.568 2.755 -4.168 85 1HB ASP 14 2HB ASP 14 0.012 0.595 -6.218 86 2HB ASP 14 1HB ASP 14 0.073 0.324 -4.477 87 H GLN 15 H GLN 15 1.221 3.785 -3.326 88 HA GLN 15 HA GLN 15 3.880 3.417 -4.631 89 1HB GLN 15 2HB GLN 15 2.644 5.378 -2.695 90 2HB GLN 15 1HB GLN 15 4.390 5.323 -2.943 91 1HG GLN 15 2HG GLN 15 3.263 5.278 -5.526 92 2HG GLN 15 1HG GLN 15 2.349 6.493 -4.632 93 1HE2 GLN 15 1HE2 GLN 15 5.528 5.702 -5.939 94 2HE2 GLN 15 2HE2 GLN 15 6.248 7.198 -5.584 95 H CYS 16 H CYS 16 2.308 1.569 -2.541 96 HA CYS 16 HA CYS 16 3.985 1.541 -0.178 97 1HB CYS 16 2HB CYS 16 2.123 -0.486 -1.458 98 2HB CYS 16 1HB CYS 16 2.824 -0.671 0.149 99 H CYS 17 H CYS 17 5.710 0.103 0.307 100 HA CYS 17 HA CYS 17 7.480 -0.606 -1.836 101 1HB CYS 17 2HB CYS 17 7.511 -0.383 0.955 102 2HB CYS 17 1HB CYS 17 7.867 -2.084 0.653 103 H LYS 18 H LYS 18 7.653 -2.479 -3.015 104 HA LYS 18 HA LYS 18 5.589 -4.556 -2.711 105 1HB LYS 18 2HB LYS 18 7.351 -3.486 -4.729 106 2HB LYS 18 1HB LYS 18 7.530 -5.239 -4.664 107 1HG LYS 18 2HG LYS 18 5.403 -5.619 -5.400 108 2HG LYS 18 1HG LYS 18 4.744 -4.240 -4.522 109 1HD LYS 18 2HD LYS 18 4.663 -3.149 -6.494 110 2HD LYS 18 1HD LYS 18 6.425 -3.094 -6.442 111 1HE LYS 18 2HE LYS 18 5.529 -5.706 -7.347 112 2HE LYS 18 1HE LYS 18 4.860 -4.419 -8.370 113 1HZ LYS 18 1HZ LYS 18 7.048 -3.452 -8.571 114 2HZ LYS 18 2HZ LYS 18 7.109 -5.076 -9.067 115 3HZ LYS 18 3HZ LYS 18 7.709 -4.628 -7.542 116 H SER 19 H SER 19 8.602 -4.072 -1.264 117 HA SER 19 HA SER 19 9.848 -6.637 -1.396 118 1HB SER 19 2HB SER 19 10.746 -4.438 -0.502 119 2HB SER 19 1HB SER 19 9.772 -4.702 0.942 120 HG SER 19 HG SER 19 11.133 -6.185 1.578 121 H SER 20 H SER 20 7.394 -5.339 0.870 122 HA SER 20 HA SER 20 7.070 -8.075 2.040 123 1HB SER 20 2HB SER 20 7.542 -5.867 3.352 124 2HB SER 20 1HB SER 20 5.845 -5.507 3.045 125 HG SER 20 HG SER 20 7.006 -7.354 4.724 126 H ASN 21 H ASN 21 5.914 -6.970 -0.611 127 HA ASN 21 HA ASN 21 3.874 -7.023 -1.788 128 1HB ASN 21 2HB ASN 21 4.330 -9.361 -0.598 129 2HB ASN 21 1HB ASN 21 2.873 -8.930 0.298 130 1HD2 ASN 21 1HD2 ASN 21 4.118 -9.729 -2.926 131 2HD2 ASN 21 2HD2 ASN 21 2.598 -9.924 -3.656 132 H LEU 22 H LEU 22 3.652 -4.731 -0.636 133 HA LEU 22 HA LEU 22 1.193 -4.742 1.086 134 1HB LEU 22 2HB LEU 22 3.562 -2.874 0.819 135 2HB LEU 22 1HB LEU 22 2.106 -2.431 1.710 136 HG LEU 22 HG LEU 22 3.670 -4.961 2.276 137 1HD1 LEU 22 1HD1 LEU 22 5.121 -3.021 2.673 138 2HD1 LEU 22 2HD1 LEU 22 4.614 -3.725 4.209 139 3HD1 LEU 22 3HD1 LEU 22 3.850 -2.248 3.621 140 1HD2 LEU 22 1HD2 LEU 22 1.506 -5.172 3.187 141 2HD2 LEU 22 2HD2 LEU 22 1.409 -3.458 3.591 142 3HD2 LEU 22 3HD2 LEU 22 2.442 -4.530 4.536 143 H VAL 23 H VAL 23 -0.583 -3.568 0.380 144 HA VAL 23 HA VAL 23 -0.282 -1.939 -2.124 145 HB VAL 23 HB VAL 23 -2.543 -2.884 -2.750 146 1HG1 VAL 23 1HG1 VAL 23 -1.575 -5.262 -3.180 147 2HG1 VAL 23 2HG1 VAL 23 -0.106 -4.626 -2.441 148 3HG1 VAL 23 3HG1 VAL 23 -0.753 -3.877 -3.900 149 1HG2 VAL 23 1HG2 VAL 23 -3.383 -4.833 -1.585 150 2HG2 VAL 23 2HG2 VAL 23 -3.129 -3.564 -0.387 151 3HG2 VAL 23 3HG2 VAL 23 -1.965 -4.880 -0.538 152 H CYS 24 H CYS 24 -1.779 -0.155 -2.284 153 HA CYS 24 HA CYS 24 -2.537 1.004 0.290 154 1HB CYS 24 2HB CYS 24 -1.959 1.850 -2.354 155 2HB CYS 24 1HB CYS 24 -3.607 2.377 -2.012 156 H SER 25 H SER 25 -4.436 0.548 1.293 157 HA SER 25 HA SER 25 -6.586 -0.960 0.131 158 1HB SER 25 2HB SER 25 -5.956 -0.739 2.560 159 2HB SER 25 1HB SER 25 -6.596 0.900 2.531 160 HG SER 25 HG SER 25 -8.215 -0.455 3.230 161 H ARG 26 H ARG 26 -8.855 -0.127 -0.120 162 HA ARG 26 HA ARG 26 -8.859 2.463 -1.571 163 1HB ARG 26 2HB ARG 26 -10.778 0.138 -1.266 164 2HB ARG 26 1HB ARG 26 -11.196 1.600 -2.161 165 1HG ARG 26 2HG ARG 26 -8.826 1.114 -3.309 166 2HG ARG 26 1HG ARG 26 -9.224 -0.538 -2.835 167 1HD ARG 26 2HD ARG 26 -10.283 -0.478 -4.903 168 2HD ARG 26 1HD ARG 26 -11.600 0.161 -3.902 169 HE ARG 26 HE ARG 26 -10.135 2.419 -4.486 170 1HH1 ARG 26 2HH1 ARG 26 -12.805 2.151 -5.688 171 2HH1 ARG 26 1HH1 ARG 26 -12.473 2.104 -7.387 172 1HH2 ARG 26 1HH2 ARG 26 -9.102 1.359 -6.976 173 2HH2 ARG 26 2HH2 ARG 26 -10.369 1.654 -8.119 174 H ALA 27 H ALA 27 -10.384 0.931 1.266 175 HA ALA 27 HA ALA 27 -12.010 3.319 1.856 176 1HB ALA 27 1HB ALA 27 -12.785 1.922 3.724 177 2HB ALA 27 2HB ALA 27 -11.487 0.769 3.416 178 3HB ALA 27 3HB ALA 27 -12.777 0.980 2.233 179 H HIS 28 H HIS 28 -9.087 1.734 3.119 180 HA HIS 28 HA HIS 28 -8.782 3.826 5.208 181 1HB HIS 28 2HB HIS 28 -7.446 1.202 4.531 182 2HB HIS 28 1HB HIS 28 -6.772 2.288 5.746 183 HD1 HIS 28 HD1 HIS 28 -9.010 -0.478 5.483 184 HD2 HIS 28 HD2 HIS 28 -9.005 3.032 7.731 185 HE1 HIS 28 HE1 HIS 28 -10.607 -0.860 7.411 186 H ARG 29 H ARG 29 -7.469 2.924 2.077 187 HA ARG 29 HA ARG 29 -5.840 3.944 0.715 188 1HB ARG 29 2HB ARG 29 -7.424 5.863 1.832 189 2HB ARG 29 1HB ARG 29 -5.839 6.394 2.392 190 1HG ARG 29 2HG ARG 29 -5.340 7.188 0.351 191 2HG ARG 29 1HG ARG 29 -5.652 5.610 -0.372 192 1HD ARG 29 2HD ARG 29 -7.674 6.276 -1.170 193 2HD ARG 29 1HD ARG 29 -8.119 7.023 0.377 194 HE ARG 29 HE ARG 29 -6.252 8.357 -1.554 195 1HH1 ARG 29 1HH2 ARG 29 -6.762 9.377 1.298 196 2HH1 ARG 29 2HH2 ARG 29 -7.922 10.627 0.996 197 1HH2 ARG 29 2HH1 ARG 29 -8.660 9.526 -2.219 198 2HH2 ARG 29 1HH1 ARG 29 -9.000 10.712 -1.003 199 H TRP 30 H TRP 30 -4.652 2.251 2.449 200 HA TRP 30 HA TRP 30 -2.125 3.646 3.139 201 1HB TRP 30 2HB TRP 30 -2.205 3.016 5.430 202 2HB TRP 30 1HB TRP 30 -3.830 3.600 5.083 203 HD1 TRP 30 HD1 TRP 30 -5.344 1.304 3.921 204 HE1 TRP 30 HE1 TRP 30 -5.697 -0.936 5.143 205 HE3 TRP 30 HE3 TRP 30 -1.481 1.506 7.240 206 HZ2 TRP 30 HZ2 TRP 30 -4.494 -2.444 7.256 207 HZ3 TRP 30 HZ3 TRP 30 -1.103 -0.342 8.847 208 HH2 TRP 30 HH2 TRP 30 -2.605 -2.315 8.859 209 H CYS 31 H CYS 31 -0.375 2.049 3.634 210 HA CYS 31 HA CYS 31 -0.363 -0.148 1.756 211 1HB CYS 31 2HB CYS 31 1.457 0.638 4.056 212 2HB CYS 31 1HB CYS 31 1.858 -0.581 2.848 213 H LYS 32 H LYS 32 -1.341 -2.088 2.082 214 HA LYS 32 HA LYS 32 -1.395 -3.236 4.849 215 1HB LYS 32 2HB LYS 32 -3.720 -3.938 4.402 216 2HB LYS 32 1HB LYS 32 -3.563 -2.189 4.256 217 1HG LYS 32 2HG LYS 32 -4.198 -2.240 2.094 218 2HG LYS 32 1HG LYS 32 -3.010 -3.486 1.716 219 1HD LYS 32 2HD LYS 32 -5.024 -4.588 1.270 220 2HD LYS 32 1HD LYS 32 -4.692 -5.089 2.928 221 1HE LYS 32 2HE LYS 32 -6.225 -3.427 3.812 222 2HE LYS 32 1HE LYS 32 -6.449 -2.718 2.201 223 1HZ LYS 32 1HZ LYS 32 -7.075 -5.532 2.935 224 2HZ LYS 32 2HZ LYS 32 -7.312 -4.820 1.410 225 3HZ LYS 32 3HZ LYS 32 -8.223 -4.299 2.745 226 H TYR 33 H TYR 33 -1.798 -5.655 4.773 227 HA TYR 33 HA TYR 33 -0.152 -6.874 2.653 228 1HB TYR 33 2HB TYR 33 -1.462 -7.773 5.224 229 2HB TYR 33 1HB TYR 33 -0.689 -8.933 4.142 230 HD1 TYR 33 HD1 TYR 33 -0.169 -6.317 6.608 231 HD2 TYR 33 HD2 TYR 33 1.749 -8.652 3.553 232 HE1 TYR 33 HE1 TYR 33 2.050 -5.689 7.519 233 HE2 TYR 33 HE2 TYR 33 3.967 -8.024 4.467 234 HH TYR 33 HH TYR 33 4.627 -7.106 7.231 235 H GLU 34 H GLU 34 -1.023 -9.071 1.764 236 HA GLU 34 HA GLU 34 -3.468 -8.559 0.284 237 1HB GLU 34 2HB GLU 34 -1.351 -10.638 0.500 238 2HB GLU 34 1HB GLU 34 -2.900 -11.176 -0.150 239 1HG GLU 34 2HG GLU 34 -2.749 -9.063 -1.659 240 2HG GLU 34 1HG GLU 34 -1.038 -9.069 -1.230 241 H ILE 35 H ILE 35 -5.510 -9.494 0.576 242 HA ILE 35 HA ILE 35 -6.154 -10.493 3.264 243 HB ILE 35 HB ILE 35 -8.477 -10.414 2.322 244 1HG1 ILE 35 2HG1 ILE 35 -7.666 -9.022 -0.129 245 2HG1 ILE 35 1HG1 ILE 35 -7.191 -10.719 -0.122 246 1HG2 ILE 35 1HG2 ILE 35 -8.560 -7.994 2.082 247 2HG2 ILE 35 2HG2 ILE 35 -6.836 -7.941 1.716 248 3HG2 ILE 35 3HG2 ILE 35 -7.382 -8.411 3.326 249 1HD1 ILE 35 1HD1 ILE 35 -9.655 -9.878 -0.875 250 2HD1 ILE 35 2HD1 ILE 35 -9.937 -10.146 0.845 251 3HD1 ILE 35 3HD1 ILE 35 -9.353 -11.466 -0.169 252 1HN NH2 36 1HN NH2 36 -5.368 -13.609 1.251 253 2HN NH2 36 2HN NH2 36 -4.991 -12.104 0.602 Start of MODEL 2 1 1H GLU 1 1H GLU 1 12.434 5.365 -1.247 2 2H GLU 1 2H GLU 1 12.884 4.079 -0.232 3 3H GLU 1 3H GLU 1 13.632 5.594 -0.067 4 HA GLU 1 HA GLU 1 11.899 5.070 1.662 5 1HB GLU 1 2HB GLU 1 11.129 7.392 1.588 6 2HB GLU 1 1HB GLU 1 12.807 7.319 1.056 7 1HG GLU 1 2HG GLU 1 12.163 8.416 -0.807 8 2HG GLU 1 1HG GLU 1 11.309 6.950 -1.287 9 H CYS 2 H CYS 2 9.646 4.844 2.077 10 HA CYS 2 HA CYS 2 7.670 4.970 -0.086 11 1HB CYS 2 2HB CYS 2 7.186 2.477 0.139 12 2HB CYS 2 1HB CYS 2 8.705 2.873 -0.661 13 H LEU 3 H LEU 3 5.553 3.730 0.862 14 HA LEU 3 HA LEU 3 5.097 4.922 3.548 15 1HB LEU 3 2HB LEU 3 3.274 3.667 1.465 16 2HB LEU 3 1HB LEU 3 2.716 4.439 2.948 17 HG LEU 3 HG LEU 3 4.450 5.879 0.928 18 1HD1 LEU 3 1HD1 LEU 3 2.171 5.013 0.049 19 2HD1 LEU 3 2HD1 LEU 3 2.521 6.731 -0.141 20 3HD1 LEU 3 3HD1 LEU 3 1.456 6.186 1.155 21 1HD2 LEU 3 1HD2 LEU 3 4.427 6.908 3.118 22 2HD2 LEU 3 2HD2 LEU 3 2.675 6.739 3.234 23 3HD2 LEU 3 3HD2 LEU 3 3.377 7.866 2.073 24 H GLY 4 H GLY 4 5.491 3.580 5.270 25 1HA GLY 4 2HA GLY 4 5.691 0.712 5.035 26 2HA GLY 4 1HA GLY 4 5.687 1.617 6.547 27 H PHE 5 H PHE 5 4.348 -0.484 7.021 28 HA PHE 5 HA PHE 5 1.647 -0.706 6.038 29 1HB PHE 5 2HB PHE 5 3.277 -2.330 7.346 30 2HB PHE 5 1HB PHE 5 2.510 -1.622 8.767 31 HD1 PHE 5 HD1 PHE 5 1.946 -3.601 5.697 32 HD2 PHE 5 HD2 PHE 5 0.179 -2.041 9.288 33 HE1 PHE 5 HE1 PHE 5 -0.023 -5.071 5.366 34 HE2 PHE 5 HE2 PHE 5 -1.790 -3.512 8.957 35 HZ PHE 5 HZ PHE 5 -1.892 -5.027 6.996 36 H GLY 6 H GLY 6 -0.277 0.140 6.884 37 1HA GLY 6 2HA GLY 6 -1.680 1.408 8.307 38 2HA GLY 6 1HA GLY 6 -0.328 1.588 9.425 39 H LYS 7 H LYS 7 -0.206 2.423 5.984 40 HA LYS 7 HA LYS 7 -0.030 5.323 6.747 41 1HB LYS 7 2HB LYS 7 1.682 3.565 4.987 42 2HB LYS 7 1HB LYS 7 1.652 5.311 4.753 43 1HG LYS 7 2HG LYS 7 1.991 4.432 7.558 44 2HG LYS 7 1HG LYS 7 3.338 4.050 6.485 45 1HD LYS 7 2HD LYS 7 3.663 6.332 5.902 46 2HD LYS 7 1HD LYS 7 2.099 6.805 6.568 47 1HE LYS 7 2HE LYS 7 2.873 6.343 8.841 48 2HE LYS 7 1HE LYS 7 4.418 5.731 8.218 49 1HZ LYS 7 1HZ LYS 7 3.345 8.470 7.770 50 2HZ LYS 7 2HZ LYS 7 4.825 7.874 7.186 51 3HZ LYS 7 3HZ LYS 7 4.585 8.072 8.856 52 H GLY 8 H GLY 8 -1.505 6.548 5.630 53 1HA GLY 8 2HA GLY 8 -3.339 5.457 3.752 54 2HA GLY 8 1HA GLY 8 -3.074 7.181 4.004 55 H CYS 9 H CYS 9 -3.146 5.070 1.596 56 HA CYS 9 HA CYS 9 -0.888 6.366 0.105 57 1HB CYS 9 2HB CYS 9 -0.360 4.049 0.619 58 2HB CYS 9 1HB CYS 9 -1.940 3.520 0.038 59 H ASN 10 H ASN 10 -1.316 6.755 -2.150 60 HA ASN 10 HA ASN 10 -4.131 7.311 -2.768 61 1HB ASN 10 2HB ASN 10 -1.980 8.670 -3.304 62 2HB ASN 10 1HB ASN 10 -1.761 7.525 -4.629 63 1HD2 ASN 10 1HD2 ASN 10 -3.750 10.196 -3.461 64 2HD2 ASN 10 2HD2 ASN 10 -4.662 10.377 -4.881 65 HA PRO 11 HA PRO 11 -4.759 3.406 -4.795 66 1HB PRO 11 2HB PRO 11 -7.092 4.048 -6.086 67 2HB PRO 11 1HB PRO 11 -7.014 3.679 -4.351 68 1HG PRO 11 2HG PRO 11 -7.143 6.321 -5.719 69 2HG PRO 11 1HG PRO 11 -7.943 5.779 -4.236 70 1HD PRO 11 2HD PRO 11 -5.726 7.348 -4.236 71 2HD PRO 11 1HD PRO 11 -6.104 6.202 -2.930 72 H SER 12 H SER 12 -5.030 6.476 -6.605 73 HA SER 12 HA SER 12 -4.596 5.245 -9.220 74 1HB SER 12 2HB SER 12 -4.802 7.996 -8.040 75 2HB SER 12 1HB SER 12 -4.135 7.827 -9.660 76 HG SER 12 HG SER 12 -6.624 7.938 -9.086 77 H ASN 13 H ASN 13 -2.575 6.691 -6.708 78 HA ASN 13 HA ASN 13 -0.142 6.165 -8.386 79 1HB ASN 13 2HB ASN 13 -0.915 8.297 -6.394 80 2HB ASN 13 1HB ASN 13 0.788 7.942 -6.688 81 1HD2 ASN 13 1HD2 ASN 13 1.700 8.569 -8.743 82 2HD2 ASN 13 2HD2 ASN 13 0.834 9.488 -9.877 83 H ASP 14 H ASP 14 -0.573 3.904 -7.405 84 HA ASP 14 HA ASP 14 -0.289 3.389 -4.600 85 1HB ASP 14 2HB ASP 14 0.398 1.700 -7.029 86 2HB ASP 14 1HB ASP 14 0.151 1.082 -5.397 87 H GLN 15 H GLN 15 1.508 3.624 -3.346 88 HA GLN 15 HA GLN 15 4.197 3.088 -4.487 89 1HB GLN 15 2HB GLN 15 4.972 5.315 -3.623 90 2HB GLN 15 1HB GLN 15 3.781 5.457 -4.915 91 1HG GLN 15 2HG GLN 15 2.080 6.129 -3.455 92 2HG GLN 15 1HG GLN 15 2.866 5.409 -2.050 93 1HE2 GLN 15 1HE2 GLN 15 4.815 6.558 -1.182 94 2HE2 GLN 15 2HE2 GLN 15 5.006 8.219 -1.477 95 H CYS 16 H CYS 16 2.671 1.602 -2.541 96 HA CYS 16 HA CYS 16 3.425 2.283 0.172 97 1HB CYS 16 2HB CYS 16 2.387 -0.146 -1.287 98 2HB CYS 16 1HB CYS 16 2.827 -0.254 0.416 99 H CYS 17 H CYS 17 4.804 0.569 1.456 100 HA CYS 17 HA CYS 17 7.485 0.557 0.333 101 1HB CYS 17 2HB CYS 17 6.108 -0.378 2.831 102 2HB CYS 17 1HB CYS 17 7.753 -0.925 2.513 103 H LYS 18 H LYS 18 8.610 -1.156 -0.583 104 HA LYS 18 HA LYS 18 7.020 -3.489 -1.462 105 1HB LYS 18 2HB LYS 18 8.684 -1.949 -2.783 106 2HB LYS 18 1HB LYS 18 9.924 -2.976 -2.061 107 1HG LYS 18 2HG LYS 18 9.046 -4.937 -3.088 108 2HG LYS 18 1HG LYS 18 7.540 -4.125 -3.520 109 1HD LYS 18 2HD LYS 18 8.630 -2.782 -5.175 110 2HD LYS 18 1HD LYS 18 10.229 -3.253 -4.599 111 1HE LYS 18 2HE LYS 18 8.413 -5.468 -5.449 112 2HE LYS 18 1HE LYS 18 9.101 -4.448 -6.728 113 1HZ LYS 18 1HZ LYS 18 10.650 -5.724 -4.531 114 2HZ LYS 18 2HZ LYS 18 11.292 -4.765 -5.779 115 3HZ LYS 18 3HZ LYS 18 10.600 -6.275 -6.135 116 H SER 19 H SER 19 8.393 -2.996 1.411 117 HA SER 19 HA SER 19 10.330 -5.069 1.781 118 1HB SER 19 2HB SER 19 9.676 -4.785 4.177 119 2HB SER 19 1HB SER 19 9.918 -3.241 3.367 120 HG SER 19 HG SER 19 7.901 -2.800 3.733 121 H SER 20 H SER 20 6.771 -5.073 2.054 122 HA SER 20 HA SER 20 6.836 -8.071 1.987 123 1HB SER 20 2HB SER 20 6.361 -6.946 4.247 124 2HB SER 20 1HB SER 20 4.861 -6.365 3.529 125 HG SER 20 HG SER 20 4.096 -8.364 3.483 126 H ASN 21 H ASN 21 6.450 -6.062 -0.197 127 HA ASN 21 HA ASN 21 4.991 -5.624 -1.995 128 1HB ASN 21 2HB ASN 21 5.180 -8.300 -1.504 129 2HB ASN 21 1HB ASN 21 3.434 -8.078 -1.389 130 1HD2 ASN 21 1HD2 ASN 21 6.204 -7.872 -3.594 131 2HD2 ASN 21 2HD2 ASN 21 5.285 -7.695 -5.010 132 H LEU 22 H LEU 22 4.128 -3.917 -0.293 133 HA LEU 22 HA LEU 22 1.409 -4.506 0.719 134 1HB LEU 22 2HB LEU 22 3.273 -2.115 0.842 135 2HB LEU 22 1HB LEU 22 1.687 -2.152 1.612 136 HG LEU 22 HG LEU 22 3.883 -4.174 2.149 137 1HD1 LEU 22 1HD1 LEU 22 4.230 -2.986 4.260 138 2HD1 LEU 22 2HD1 LEU 22 2.980 -1.818 3.833 139 3HD1 LEU 22 3HD1 LEU 22 4.481 -1.878 2.910 140 1HD2 LEU 22 1HD2 LEU 22 1.607 -5.007 2.561 141 2HD2 LEU 22 2HD2 LEU 22 1.241 -3.576 3.524 142 3HD2 LEU 22 3HD2 LEU 22 2.437 -4.740 4.093 143 H VAL 23 H VAL 23 -0.465 -3.436 -0.006 144 HA VAL 23 HA VAL 23 -0.216 -1.909 -2.582 145 HB VAL 23 HB VAL 23 -2.385 -3.023 -3.180 146 1HG1 VAL 23 1HG1 VAL 23 -0.649 -5.329 -2.525 147 2HG1 VAL 23 2HG1 VAL 23 0.144 -4.015 -3.396 148 3HG1 VAL 23 3HG1 VAL 23 -1.279 -4.798 -4.085 149 1HG2 VAL 23 1HG2 VAL 23 -1.990 -5.062 -1.049 150 2HG2 VAL 23 2HG2 VAL 23 -3.484 -4.467 -1.772 151 3HG2 VAL 23 3HG2 VAL 23 -2.667 -3.518 -0.531 152 H CYS 24 H CYS 24 -1.885 -0.257 -2.895 153 HA CYS 24 HA CYS 24 -2.789 0.939 -0.341 154 1HB CYS 24 2HB CYS 24 -3.129 1.979 -3.167 155 2HB CYS 24 1HB CYS 24 -3.084 2.913 -1.672 156 H SER 25 H SER 25 -4.728 0.183 0.415 157 HA SER 25 HA SER 25 -6.715 -1.158 -1.158 158 1HB SER 25 2HB SER 25 -6.253 -1.206 1.362 159 2HB SER 25 1HB SER 25 -7.137 0.314 1.455 160 HG SER 25 HG SER 25 -8.039 -2.258 1.030 161 H ARG 26 H ARG 26 -9.043 -0.327 -1.298 162 HA ARG 26 HA ARG 26 -9.017 2.491 -2.301 163 1HB ARG 26 2HB ARG 26 -10.849 1.765 -3.713 164 2HB ARG 26 1HB ARG 26 -9.576 0.552 -3.812 165 1HG ARG 26 2HG ARG 26 -10.914 -0.550 -1.803 166 2HG ARG 26 1HG ARG 26 -12.252 0.387 -2.468 167 1HD ARG 26 2HD ARG 26 -10.570 -1.229 -4.361 168 2HD ARG 26 1HD ARG 26 -11.785 -2.062 -3.370 169 HE ARG 26 HE ARG 26 -12.860 0.352 -4.576 170 1HH1 ARG 26 2HH1 ARG 26 -14.497 -2.086 -4.261 171 2HH1 ARG 26 1HH1 ARG 26 -14.595 -2.699 -5.878 172 1HH2 ARG 26 1HH2 ARG 26 -11.924 -0.807 -7.042 173 2HH2 ARG 26 2HH2 ARG 26 -13.135 -1.974 -7.456 174 H ALA 27 H ALA 27 -10.581 0.345 0.029 175 HA ALA 27 HA ALA 27 -12.771 2.166 0.661 176 1HB ALA 27 1HB ALA 27 -13.072 0.538 2.543 177 2HB ALA 27 2HB ALA 27 -11.558 -0.233 2.069 178 3HB ALA 27 3HB ALA 27 -12.940 -0.253 0.972 179 H HIS 28 H HIS 28 -9.725 1.249 2.287 180 HA HIS 28 HA HIS 28 -10.024 3.586 4.123 181 1HB HIS 28 2HB HIS 28 -8.631 0.936 4.147 182 2HB HIS 28 1HB HIS 28 -7.933 2.240 5.106 183 HD1 HIS 28 HD1 HIS 28 -8.634 1.289 7.392 184 HD2 HIS 28 HD2 HIS 28 -11.849 1.845 4.796 185 HE1 HIS 28 HE1 HIS 28 -10.734 1.004 8.779 186 H ARG 29 H ARG 29 -8.347 2.658 1.271 187 HA ARG 29 HA ARG 29 -6.531 3.597 0.103 188 1HB ARG 29 2HB ARG 29 -7.758 5.826 1.716 189 2HB ARG 29 1HB ARG 29 -6.362 6.145 0.687 190 1HG ARG 29 2HG ARG 29 -7.583 5.989 -1.212 191 2HG ARG 29 1HG ARG 29 -8.432 4.550 -0.647 192 1HD ARG 29 2HD ARG 29 -10.261 5.819 -0.236 193 2HD ARG 29 1HD ARG 29 -9.326 6.762 0.941 194 HE ARG 29 HE ARG 29 -8.941 7.408 -1.931 195 1HH1 ARG 29 1HH2 ARG 29 -11.646 8.327 -1.097 196 2HH1 ARG 29 2HH2 ARG 29 -11.330 9.911 -0.472 197 1HH2 ARG 29 2HH1 ARG 29 -7.910 9.385 -0.143 198 2HH2 ARG 29 1HH1 ARG 29 -9.207 10.512 0.070 199 H TRP 30 H TRP 30 -5.321 2.049 1.769 200 HA TRP 30 HA TRP 30 -3.086 3.641 2.890 201 1HB TRP 30 2HB TRP 30 -3.333 2.736 5.102 202 2HB TRP 30 1HB TRP 30 -4.922 3.329 4.631 203 HD1 TRP 30 HD1 TRP 30 -6.312 1.192 3.169 204 HE1 TRP 30 HE1 TRP 30 -6.725 -1.180 4.093 205 HE3 TRP 30 HE3 TRP 30 -2.668 1.002 6.721 206 HZ2 TRP 30 HZ2 TRP 30 -5.641 -2.927 6.085 207 HZ3 TRP 30 HZ3 TRP 30 -2.372 -1.022 8.119 208 HH2 TRP 30 HH2 TRP 30 -3.853 -2.986 7.806 209 H CYS 31 H CYS 31 -1.334 2.057 3.719 210 HA CYS 31 HA CYS 31 -0.843 0.052 1.636 211 1HB CYS 31 2HB CYS 31 0.652 1.047 4.077 212 2HB CYS 31 1HB CYS 31 1.297 -0.201 3.012 213 H LYS 32 H LYS 32 -1.522 -2.031 1.800 214 HA LYS 32 HA LYS 32 -1.590 -3.341 4.482 215 1HB LYS 32 2HB LYS 32 -3.861 -4.145 4.027 216 2HB LYS 32 1HB LYS 32 -3.828 -2.387 3.921 217 1HG LYS 32 2HG LYS 32 -4.837 -2.685 1.909 218 2HG LYS 32 1HG LYS 32 -3.226 -3.115 1.336 219 1HD LYS 32 2HD LYS 32 -3.729 -5.332 1.184 220 2HD LYS 32 1HD LYS 32 -4.706 -5.313 2.653 221 1HE LYS 32 2HE LYS 32 -5.773 -3.862 0.253 222 2HE LYS 32 1HE LYS 32 -5.861 -5.634 0.272 223 1HZ LYS 32 1HZ LYS 32 -6.807 -3.829 2.441 224 2HZ LYS 32 2HZ LYS 32 -6.865 -5.528 2.473 225 3HZ LYS 32 3HZ LYS 32 -7.801 -4.664 1.350 226 H TYR 33 H TYR 33 -1.792 -5.763 4.237 227 HA TYR 33 HA TYR 33 -0.661 -6.709 1.622 228 1HB TYR 33 2HB TYR 33 0.954 -6.560 3.541 229 2HB TYR 33 1HB TYR 33 -0.054 -7.705 4.425 230 HD1 TYR 33 HD1 TYR 33 1.174 -9.707 4.534 231 HD2 TYR 33 HD2 TYR 33 0.880 -7.611 0.796 232 HE1 TYR 33 HE1 TYR 33 2.300 -11.594 3.385 233 HE2 TYR 33 HE2 TYR 33 2.006 -9.497 -0.352 234 HH TYR 33 HH TYR 33 3.797 -11.541 0.795 235 H GLU 34 H GLU 34 -1.987 -8.185 0.661 236 HA GLU 34 HA GLU 34 -3.650 -9.977 2.395 237 1HB GLU 34 2HB GLU 34 -4.426 -8.120 0.158 238 2HB GLU 34 1HB GLU 34 -5.372 -9.582 0.437 239 1HG GLU 34 2HG GLU 34 -4.741 -7.552 2.600 240 2HG GLU 34 1HG GLU 34 -6.236 -7.556 1.663 241 H ILE 35 H ILE 35 -3.674 -12.097 1.697 242 HA ILE 35 HA ILE 35 -2.826 -12.739 -1.083 243 HB ILE 35 HB ILE 35 -0.821 -12.600 0.423 244 1HG1 ILE 35 1HG1 ILE 35 -1.089 -15.505 -0.182 245 2HG1 ILE 35 2HG1 ILE 35 -1.334 -14.392 -1.527 246 1HG2 ILE 35 1HG2 ILE 35 -2.092 -13.415 2.465 247 2HG2 ILE 35 2HG2 ILE 35 -1.991 -15.039 1.784 248 3HG2 ILE 35 3HG2 ILE 35 -0.518 -14.170 2.214 249 1HD1 ILE 35 1HD1 ILE 35 0.999 -13.783 0.190 250 2HD1 ILE 35 2HD1 ILE 35 1.116 -15.284 -0.728 251 3HD1 ILE 35 3HD1 ILE 35 0.855 -13.756 -1.568 252 1HN NH2 36 1HN NH2 36 -5.325 -15.018 -1.085 253 2HN NH2 36 2HN NH2 36 -4.569 -13.527 -1.686 Start of MODEL 3 1 1H GLU 1 1H GLU 1 10.416 8.009 -1.934 2 2H GLU 1 2H GLU 1 11.470 6.749 -2.366 3 3H GLU 1 3H GLU 1 12.019 8.017 -1.380 4 HA GLU 1 HA GLU 1 11.622 6.083 -0.006 5 1HB GLU 1 2HB GLU 1 9.830 8.500 0.111 6 2HB GLU 1 1HB GLU 1 9.688 7.248 1.344 7 1HG GLU 1 2HG GLU 1 11.423 8.212 2.410 8 2HG GLU 1 1HG GLU 1 12.449 7.684 1.076 9 H CYS 2 H CYS 2 10.656 4.107 -0.176 10 HA CYS 2 HA CYS 2 8.096 3.827 -1.647 11 1HB CYS 2 2HB CYS 2 9.940 2.337 -2.189 12 2HB CYS 2 1HB CYS 2 10.132 1.891 -0.494 13 H LEU 3 H LEU 3 6.212 2.951 -0.691 14 HA LEU 3 HA LEU 3 6.040 3.238 2.263 15 1HB LEU 3 2HB LEU 3 3.991 2.874 0.049 16 2HB LEU 3 1HB LEU 3 3.588 3.129 1.747 17 HG LEU 3 HG LEU 3 5.398 5.060 0.306 18 1HD1 LEU 3 1HD1 LEU 3 3.299 6.428 -0.094 19 2HD1 LEU 3 2HD1 LEU 3 2.366 4.980 0.287 20 3HD1 LEU 3 3HD1 LEU 3 3.444 4.992 -1.108 21 1HD2 LEU 3 1HD2 LEU 3 3.555 5.142 2.713 22 2HD2 LEU 3 2HD2 LEU 3 4.264 6.596 2.010 23 3HD2 LEU 3 3HD2 LEU 3 5.307 5.346 2.689 24 H GLY 4 H GLY 4 6.148 1.423 3.527 25 1HA GLY 4 2HA GLY 4 5.754 -1.232 2.237 26 2HA GLY 4 1HA GLY 4 6.581 -0.957 3.771 27 H PHE 5 H PHE 5 4.982 -2.808 4.307 28 HA PHE 5 HA PHE 5 2.171 -2.385 4.536 29 1HB PHE 5 2HB PHE 5 3.291 -4.561 4.737 30 2HB PHE 5 1HB PHE 5 4.122 -4.022 6.195 31 HD1 PHE 5 HD1 PHE 5 0.681 -4.471 4.776 32 HD2 PHE 5 HD2 PHE 5 3.138 -4.355 8.298 33 HE1 PHE 5 HE1 PHE 5 -1.256 -5.182 6.150 34 HE2 PHE 5 HE2 PHE 5 1.201 -5.066 9.672 35 HZ PHE 5 HZ PHE 5 -0.996 -5.479 8.598 36 H GLY 6 H GLY 6 0.997 -1.142 5.961 37 1HA GLY 6 2HA GLY 6 0.566 -0.268 8.202 38 2HA GLY 6 1HA GLY 6 2.307 -0.221 8.479 39 H LYS 7 H LYS 7 3.144 1.040 6.100 40 HA LYS 7 HA LYS 7 2.739 3.812 6.711 41 1HB LYS 7 2HB LYS 7 3.993 2.156 4.566 42 2HB LYS 7 1HB LYS 7 3.700 3.854 4.197 43 1HG LYS 7 2HG LYS 7 4.925 3.250 6.844 44 2HG LYS 7 1HG LYS 7 5.945 3.023 5.423 45 1HD LYS 7 2HD LYS 7 5.744 5.287 4.769 46 2HD LYS 7 1HD LYS 7 4.339 5.550 5.803 47 1HE LYS 7 2HE LYS 7 6.294 4.727 7.605 48 2HE LYS 7 1HE LYS 7 7.183 5.761 6.471 49 1HZ LYS 7 1HZ LYS 7 4.620 6.451 7.813 50 2HZ LYS 7 2HZ LYS 7 5.432 7.428 6.685 51 3HZ LYS 7 3HZ LYS 7 6.142 7.098 8.193 52 H GLY 8 H GLY 8 1.579 5.424 5.474 53 1HA GLY 8 2HA GLY 8 -0.977 4.473 4.421 54 2HA GLY 8 1HA GLY 8 -0.486 6.158 4.579 55 H CYS 9 H CYS 9 -1.602 4.416 2.283 56 HA CYS 9 HA CYS 9 0.208 5.521 0.192 57 1HB CYS 9 2HB CYS 9 0.842 3.157 0.704 58 2HB CYS 9 1HB CYS 9 -0.805 2.658 0.314 59 H ASN 10 H ASN 10 -0.930 6.099 -1.704 60 HA ASN 10 HA ASN 10 -3.887 6.161 -1.453 61 1HB ASN 10 2HB ASN 10 -1.819 7.487 -3.221 62 2HB ASN 10 1HB ASN 10 -3.550 7.683 -3.494 63 1HD2 ASN 10 1HD2 ASN 10 -0.871 8.732 -1.538 64 2HD2 ASN 10 2HD2 ASN 10 -1.759 9.739 -0.499 65 HA PRO 11 HA PRO 11 -4.450 2.887 -4.364 66 1HB PRO 11 2HB PRO 11 -6.958 3.523 -5.264 67 2HB PRO 11 1HB PRO 11 -6.650 2.803 -3.672 68 1HG PRO 11 2HG PRO 11 -7.189 5.640 -4.391 69 2HG PRO 11 1HG PRO 11 -7.745 4.705 -2.996 70 1HD PRO 11 2HD PRO 11 -5.696 6.494 -2.876 71 2HD PRO 11 1HD PRO 11 -5.822 5.077 -1.810 72 H SER 12 H SER 12 -5.413 6.164 -5.486 73 HA SER 12 HA SER 12 -5.195 5.667 -8.300 74 1HB SER 12 2HB SER 12 -4.867 8.135 -6.564 75 2HB SER 12 1HB SER 12 -4.914 8.200 -8.323 76 HG SER 12 HG SER 12 -6.993 7.820 -8.276 77 H ASN 13 H ASN 13 -2.842 6.982 -5.946 78 HA ASN 13 HA ASN 13 -0.656 6.667 -7.959 79 1HB ASN 13 2HB ASN 13 -0.971 8.142 -5.325 80 2HB ASN 13 1HB ASN 13 0.571 8.033 -6.173 81 1HD2 ASN 13 1HD2 ASN 13 0.779 9.170 -8.235 82 2HD2 ASN 13 2HD2 ASN 13 -0.354 10.338 -8.718 83 H ASP 14 H ASP 14 -1.279 4.212 -7.351 84 HA ASP 14 HA ASP 14 -0.449 3.098 -4.851 85 1HB ASP 14 2HB ASP 14 -1.486 2.268 -7.370 86 2HB ASP 14 1HB ASP 14 -0.063 1.277 -7.045 87 H GLN 15 H GLN 15 1.594 3.296 -4.056 88 HA GLN 15 HA GLN 15 3.895 2.609 -5.840 89 1HB GLN 15 2HB GLN 15 3.317 5.153 -5.387 90 2HB GLN 15 1HB GLN 15 4.082 4.839 -3.830 91 1HG GLN 15 2HG GLN 15 6.164 4.400 -4.788 92 2HG GLN 15 1HG GLN 15 5.468 3.978 -6.352 93 1HE2 GLN 15 1HE2 GLN 15 5.753 5.577 -7.911 94 2HE2 GLN 15 2HE2 GLN 15 5.902 7.237 -7.590 95 H CYS 16 H CYS 16 2.640 0.890 -3.951 96 HA CYS 16 HA CYS 16 3.995 0.972 -1.370 97 1HB CYS 16 2HB CYS 16 1.716 -0.070 -2.166 98 2HB CYS 16 1HB CYS 16 2.712 -1.456 -2.607 99 H CYS 17 H CYS 17 5.400 -0.881 -0.645 100 HA CYS 17 HA CYS 17 7.623 -1.293 -2.484 101 1HB CYS 17 2HB CYS 17 6.885 -1.871 0.342 102 2HB CYS 17 1HB CYS 17 8.135 -2.895 -0.365 103 H LYS 18 H LYS 18 8.094 -3.113 -3.679 104 HA LYS 18 HA LYS 18 5.998 -5.196 -3.899 105 1HB LYS 18 2HB LYS 18 7.858 -3.881 -5.592 106 2HB LYS 18 1HB LYS 18 8.317 -5.583 -5.573 107 1HG LYS 18 2HG LYS 18 5.415 -4.904 -5.863 108 2HG LYS 18 1HG LYS 18 6.468 -4.687 -7.261 109 1HD LYS 18 2HD LYS 18 7.303 -7.078 -6.786 110 2HD LYS 18 1HD LYS 18 5.896 -7.229 -5.733 111 1HE LYS 18 2HE LYS 18 5.349 -6.123 -8.440 112 2HE LYS 18 1HE LYS 18 5.809 -7.835 -8.378 113 1HZ LYS 18 1HZ LYS 18 4.158 -8.195 -6.657 114 2HZ LYS 18 2HZ LYS 18 3.419 -7.542 -8.040 115 3HZ LYS 18 3HZ LYS 18 3.719 -6.556 -6.690 116 H SER 19 H SER 19 8.456 -4.868 -1.766 117 HA SER 19 HA SER 19 9.918 -7.353 -2.021 118 1HB SER 19 2HB SER 19 10.571 -6.767 0.336 119 2HB SER 19 1HB SER 19 10.778 -5.432 -0.792 120 HG SER 19 HG SER 19 9.454 -4.363 0.429 121 H SER 20 H SER 20 7.031 -6.365 -0.162 122 HA SER 20 HA SER 20 6.621 -9.231 0.624 123 1HB SER 20 2HB SER 20 6.372 -6.619 1.933 124 2HB SER 20 1HB SER 20 4.941 -7.623 2.148 125 HG SER 20 HG SER 20 6.188 -8.401 3.694 126 H ASN 21 H ASN 21 5.730 -7.498 -1.892 127 HA ASN 21 HA ASN 21 3.815 -7.311 -3.254 128 1HB ASN 21 2HB ASN 21 4.300 -9.851 -2.732 129 2HB ASN 21 1HB ASN 21 2.801 -9.749 -1.809 130 1HD2 ASN 21 1HD2 ASN 21 1.331 -10.832 -3.194 131 2HD2 ASN 21 2HD2 ASN 21 1.035 -10.371 -4.800 132 H LEU 22 H LEU 22 3.307 -5.391 -1.697 133 HA LEU 22 HA LEU 22 0.829 -5.924 -0.098 134 1HB LEU 22 2HB LEU 22 2.953 -3.763 -0.073 135 2HB LEU 22 1HB LEU 22 1.475 -3.661 0.885 136 HG LEU 22 HG LEU 22 3.089 -6.174 1.061 137 1HD1 LEU 22 1HD1 LEU 22 4.443 -5.111 2.889 138 2HD1 LEU 22 2HD1 LEU 22 3.810 -3.544 2.386 139 3HD1 LEU 22 3HD1 LEU 22 4.817 -4.482 1.284 140 1HD2 LEU 22 1HD2 LEU 22 1.043 -6.138 2.295 141 2HD2 LEU 22 2HD2 LEU 22 1.353 -4.510 2.899 142 3HD2 LEU 22 3HD2 LEU 22 2.316 -5.867 3.484 143 H VAL 23 H VAL 23 -0.849 -4.183 -0.209 144 HA VAL 23 HA VAL 23 -0.897 -2.755 -2.848 145 HB VAL 23 HB VAL 23 -3.354 -3.378 -2.890 146 1HG1 VAL 23 1HG1 VAL 23 -1.571 -4.620 -4.149 147 2HG1 VAL 23 2HG1 VAL 23 -2.961 -5.618 -3.723 148 3HG1 VAL 23 3HG1 VAL 23 -1.466 -5.746 -2.797 149 1HG2 VAL 23 1HG2 VAL 23 -3.293 -3.909 -0.344 150 2HG2 VAL 23 2HG2 VAL 23 -2.635 -5.469 -0.834 151 3HG2 VAL 23 3HG2 VAL 23 -4.235 -4.974 -1.386 152 H CYS 24 H CYS 24 -1.882 -0.700 -2.797 153 HA CYS 24 HA CYS 24 -2.139 0.558 -0.151 154 1HB CYS 24 2HB CYS 24 -2.630 1.645 -2.944 155 2HB CYS 24 1HB CYS 24 -2.334 2.594 -1.488 156 H SER 25 H SER 25 -4.064 0.863 0.912 157 HA SER 25 HA SER 25 -6.564 -0.116 -0.295 158 1HB SER 25 2HB SER 25 -5.843 1.075 2.399 159 2HB SER 25 1HB SER 25 -7.417 0.391 2.008 160 HG SER 25 HG SER 25 -6.501 -1.403 2.629 161 H ARG 26 H ARG 26 -8.586 1.338 0.237 162 HA ARG 26 HA ARG 26 -8.022 4.098 -0.792 163 1HB ARG 26 2HB ARG 26 -10.533 2.390 -0.891 164 2HB ARG 26 1HB ARG 26 -10.305 3.940 -1.699 165 1HG ARG 26 2HG ARG 26 -8.220 2.767 -2.776 166 2HG ARG 26 1HG ARG 26 -9.052 1.280 -2.327 167 1HD ARG 26 2HD ARG 26 -10.917 3.132 -3.561 168 2HD ARG 26 1HD ARG 26 -9.534 2.827 -4.630 169 HE ARG 26 HE ARG 26 -10.047 0.459 -4.564 170 1HH1 ARG 26 1HH2 ARG 26 -11.063 0.154 -1.807 171 2HH1 ARG 26 2HH2 ARG 26 -12.767 -0.049 -2.040 172 1HH2 ARG 26 2HH1 ARG 26 -12.737 1.189 -5.287 173 2HH2 ARG 26 1HH1 ARG 26 -13.717 0.538 -4.015 174 H ALA 27 H ALA 27 -10.236 2.312 1.403 175 HA ALA 27 HA ALA 27 -11.267 4.691 2.694 176 1HB ALA 27 1HB ALA 27 -12.116 2.943 4.323 177 2HB ALA 27 2HB ALA 27 -11.209 1.744 3.402 178 3HB ALA 27 3HB ALA 27 -12.529 2.629 2.638 179 H HIS 28 H HIS 28 -8.795 2.286 3.602 180 HA HIS 28 HA HIS 28 -8.085 3.816 6.034 181 1HB HIS 28 2HB HIS 28 -7.258 1.201 4.761 182 2HB HIS 28 1HB HIS 28 -6.401 1.852 6.158 183 HD1 HIS 28 HD1 HIS 28 -7.478 1.548 8.423 184 HD2 HIS 28 HD2 HIS 28 -10.104 0.677 5.304 185 HE1 HIS 28 HE1 HIS 28 -9.558 0.572 9.489 186 H ARG 29 H ARG 29 -7.091 3.624 2.720 187 HA ARG 29 HA ARG 29 -5.260 4.530 1.546 188 1HB ARG 29 2HB ARG 29 -5.721 6.342 3.919 189 2HB ARG 29 1HB ARG 29 -4.489 6.722 2.716 190 1HG ARG 29 2HG ARG 29 -6.765 6.028 1.224 191 2HG ARG 29 1HG ARG 29 -7.372 7.029 2.542 192 1HD ARG 29 2HD ARG 29 -4.968 8.253 1.601 193 2HD ARG 29 1HD ARG 29 -5.976 7.886 0.187 194 HE ARG 29 HE ARG 29 -6.903 9.471 2.551 195 1HH1 ARG 29 2HH1 ARG 29 -6.387 10.747 -0.145 196 2HH1 ARG 29 1HH1 ARG 29 -7.983 10.817 -0.812 197 1HH2 ARG 29 1HH2 ARG 29 -9.313 8.542 1.453 198 2HH2 ARG 29 2HH2 ARG 29 -9.644 9.565 0.096 199 H TRP 30 H TRP 30 -4.342 2.317 2.749 200 HA TRP 30 HA TRP 30 -1.611 3.084 3.601 201 1HB TRP 30 2HB TRP 30 -1.735 1.964 5.697 202 2HB TRP 30 1HB TRP 30 -3.225 2.895 5.600 203 HD1 TRP 30 HD1 TRP 30 -5.201 1.265 4.120 204 HE1 TRP 30 HE1 TRP 30 -5.948 -1.095 4.842 205 HE3 TRP 30 HE3 TRP 30 -1.227 -0.053 7.026 206 HZ2 TRP 30 HZ2 TRP 30 -4.978 -3.259 6.447 207 HZ3 TRP 30 HZ3 TRP 30 -1.157 -2.266 8.139 208 HH2 TRP 30 HH2 TRP 30 -3.027 -3.870 7.854 209 H CYS 31 H CYS 31 -0.190 1.090 3.727 210 HA CYS 31 HA CYS 31 -0.788 -0.682 1.444 211 1HB CYS 31 2HB CYS 31 1.539 0.116 3.128 212 2HB CYS 31 1HB CYS 31 1.620 -1.472 2.366 213 H LYS 32 H LYS 32 -1.747 -2.644 1.737 214 HA LYS 32 HA LYS 32 -1.383 -4.046 4.367 215 1HB LYS 32 2HB LYS 32 -3.741 -4.698 4.204 216 2HB LYS 32 1HB LYS 32 -3.604 -2.944 4.100 217 1HG LYS 32 2HG LYS 32 -3.959 -2.947 1.747 218 2HG LYS 32 1HG LYS 32 -3.687 -4.686 1.629 219 1HD LYS 32 2HD LYS 32 -5.737 -5.141 2.854 220 2HD LYS 32 1HD LYS 32 -5.986 -3.419 3.145 221 1HE LYS 32 2HE LYS 32 -6.080 -3.085 0.639 222 2HE LYS 32 1HE LYS 32 -6.072 -4.851 0.469 223 1HZ LYS 32 1HZ LYS 32 -8.010 -3.284 2.094 224 2HZ LYS 32 2HZ LYS 32 -7.993 -4.975 1.927 225 3HZ LYS 32 3HZ LYS 32 -8.340 -3.989 0.588 226 H TYR 33 H TYR 33 -2.042 -6.463 4.090 227 HA TYR 33 HA TYR 33 -0.567 -7.544 1.767 228 1HB TYR 33 2HB TYR 33 -1.154 -8.256 4.488 229 2HB TYR 33 1HB TYR 33 -1.704 -9.563 3.440 230 HD1 TYR 33 HD1 TYR 33 1.204 -7.657 4.630 231 HD2 TYR 33 HD2 TYR 33 -0.130 -10.767 1.981 232 HE1 TYR 33 HE1 TYR 33 3.549 -8.401 4.321 233 HE2 TYR 33 HE2 TYR 33 2.216 -11.508 1.673 234 HH TYR 33 HH TYR 33 4.615 -10.166 1.919 235 H GLU 34 H GLU 34 -1.716 -9.792 0.998 236 HA GLU 34 HA GLU 34 -4.583 -9.169 0.357 237 1HB GLU 34 2HB GLU 34 -4.025 -10.118 -1.928 238 2HB GLU 34 1HB GLU 34 -3.214 -8.599 -1.553 239 1HG GLU 34 2HG GLU 34 -1.138 -9.587 -1.379 240 2HG GLU 34 1HG GLU 34 -1.797 -11.118 -0.805 241 H ILE 35 H ILE 35 -4.628 -10.732 2.349 242 HA ILE 35 HA ILE 35 -4.820 -13.533 1.302 243 HB ILE 35 HB ILE 35 -2.708 -13.082 2.599 244 1HG1 ILE 35 2HG1 ILE 35 -4.051 -14.884 4.461 245 2HG1 ILE 35 1HG1 ILE 35 -4.491 -15.228 2.788 246 1HG2 ILE 35 1HG2 ILE 35 -3.853 -11.411 4.146 247 2HG2 ILE 35 2HG2 ILE 35 -2.797 -12.580 4.939 248 3HG2 ILE 35 3HG2 ILE 35 -4.546 -12.797 4.988 249 1HD1 ILE 35 1HD1 ILE 35 -2.217 -15.547 2.147 250 2HD1 ILE 35 2HD1 ILE 35 -2.398 -16.415 3.671 251 3HD1 ILE 35 3HD1 ILE 35 -1.618 -14.834 3.644 252 1HN NH2 36 1HN NH2 36 -7.294 -14.193 4.013 253 2HN NH2 36 2HN NH2 36 -5.605 -14.686 3.763 Start of MODEL 4 1 1H GLU 1 1H GLU 1 -11.242 2.891 -6.547 2 2H GLU 1 2H GLU 1 -10.915 4.350 -7.352 3 3H GLU 1 3H GLU 1 -11.037 4.320 -5.657 4 HA GLU 1 HA GLU 1 -8.913 2.990 -7.273 5 1HB GLU 1 2HB GLU 1 -9.235 5.573 -5.773 6 2HB GLU 1 1HB GLU 1 -7.646 4.810 -5.813 7 1HG GLU 1 2HG GLU 1 -7.932 4.671 -8.352 8 2HG GLU 1 1HG GLU 1 -9.308 5.757 -8.154 9 H CYS 2 H CYS 2 -8.673 1.033 -6.171 10 HA CYS 2 HA CYS 2 -7.976 1.190 -3.283 11 1HB CYS 2 2HB CYS 2 -10.485 0.293 -4.355 12 2HB CYS 2 1HB CYS 2 -9.647 -1.096 -3.665 13 H LEU 3 H LEU 3 -6.119 0.038 -3.022 14 HA LEU 3 HA LEU 3 -5.477 -2.138 -4.985 15 1HB LEU 3 2HB LEU 3 -3.676 -0.487 -3.175 16 2HB LEU 3 1HB LEU 3 -3.144 -1.599 -4.435 17 HG LEU 3 HG LEU 3 -4.944 0.758 -5.036 18 1HD1 LEU 3 1HD1 LEU 3 -3.065 2.117 -5.484 19 2HD1 LEU 3 2HD1 LEU 3 -1.954 0.747 -5.454 20 3HD1 LEU 3 3HD1 LEU 3 -2.661 1.344 -3.952 21 1HD2 LEU 3 1HD2 LEU 3 -4.538 -1.305 -6.602 22 2HD2 LEU 3 2HD2 LEU 3 -2.958 -0.570 -6.873 23 3HD2 LEU 3 3HD2 LEU 3 -4.426 0.317 -7.284 24 H GLY 4 H GLY 4 -4.984 -4.198 -4.180 25 1HA GLY 4 2HA GLY 4 -5.539 -4.638 -1.294 26 2HA GLY 4 1HA GLY 4 -5.541 -5.885 -2.540 27 H PHE 5 H PHE 5 -4.108 -7.183 -1.240 28 HA PHE 5 HA PHE 5 -1.475 -6.203 -0.440 29 1HB PHE 5 2HB PHE 5 -2.861 -7.997 0.681 30 2HB PHE 5 1HB PHE 5 -2.525 -9.040 -0.700 31 HD1 PHE 5 HD1 PHE 5 -0.514 -10.269 -0.822 32 HD2 PHE 5 HD2 PHE 5 -0.857 -7.026 1.975 33 HE1 PHE 5 HE1 PHE 5 1.659 -10.908 0.185 34 HE2 PHE 5 HE2 PHE 5 1.317 -7.667 2.981 35 HZ PHE 5 HZ PHE 5 2.574 -9.607 2.087 36 H GLY 6 H GLY 6 0.466 -6.471 -1.546 37 1HA GLY 6 2HA GLY 6 1.954 -7.211 -3.233 38 2HA GLY 6 1HA GLY 6 0.677 -8.253 -3.861 39 H LYS 7 H LYS 7 0.649 -4.723 -3.320 40 HA LYS 7 HA LYS 7 0.207 -4.363 -6.268 41 1HB LYS 7 2HB LYS 7 -1.244 -3.379 -3.831 42 2HB LYS 7 1HB LYS 7 -1.208 -2.345 -5.259 43 1HG LYS 7 2HG LYS 7 -1.880 -5.226 -5.664 44 2HG LYS 7 1HG LYS 7 -3.106 -4.199 -4.921 45 1HD LYS 7 2HD LYS 7 -3.545 -3.140 -6.868 46 2HD LYS 7 1HD LYS 7 -1.832 -2.917 -7.220 47 1HE LYS 7 2HE LYS 7 -2.885 -5.699 -7.476 48 2HE LYS 7 1HE LYS 7 -3.384 -4.533 -8.716 49 1HZ LYS 7 1HZ LYS 7 -0.612 -5.192 -7.877 50 2HZ LYS 7 2HZ LYS 7 -0.997 -3.856 -8.854 51 3HZ LYS 7 3HZ LYS 7 -1.308 -5.433 -9.404 52 H GLY 8 H GLY 8 1.982 -3.282 -7.038 53 1HA GLY 8 2HA GLY 8 3.852 -1.856 -5.431 54 2HA GLY 8 1HA GLY 8 3.738 -1.734 -7.184 55 H CYS 9 H CYS 9 3.791 0.166 -4.603 56 HA CYS 9 HA CYS 9 2.088 2.252 -5.883 57 1HB CYS 9 2HB CYS 9 1.203 2.775 -3.563 58 2HB CYS 9 1HB CYS 9 0.665 1.229 -4.214 59 H ASN 10 H ASN 10 2.495 4.409 -4.518 60 HA ASN 10 HA ASN 10 5.456 4.684 -4.225 61 1HB ASN 10 2HB ASN 10 3.148 6.379 -5.043 62 2HB ASN 10 1HB ASN 10 4.452 7.205 -4.190 63 1HD2 ASN 10 1HD2 ASN 10 3.493 5.956 -7.250 64 2HD2 ASN 10 2HD2 ASN 10 4.991 6.119 -8.033 65 HA PRO 11 HA PRO 11 5.000 5.109 0.150 66 1HB PRO 11 2HB PRO 11 7.240 6.593 0.697 67 2HB PRO 11 1HB PRO 11 7.291 4.860 0.315 68 1HG PRO 11 2HG PRO 11 7.842 7.201 -1.446 69 2HG PRO 11 1HG PRO 11 8.683 5.646 -1.342 70 1HD PRO 11 2HD PRO 11 6.902 6.229 -3.301 71 2HD PRO 11 1HD PRO 11 7.157 4.580 -2.688 72 H SER 12 H SER 12 5.786 8.065 -1.714 73 HA SER 12 HA SER 12 4.655 9.852 0.320 74 1HB SER 12 2HB SER 12 6.567 10.366 -1.244 75 2HB SER 12 1HB SER 12 5.414 10.363 -2.575 76 HG SER 12 HG SER 12 4.721 12.255 -1.953 77 H ASN 13 H ASN 13 3.656 8.619 -2.890 78 HA ASN 13 HA ASN 13 0.935 9.797 -2.442 79 1HB ASN 13 2HB ASN 13 2.511 10.293 -4.491 80 2HB ASN 13 1HB ASN 13 1.982 8.707 -5.052 81 1HD2 ASN 13 1HD2 ASN 13 -0.037 8.624 -6.104 82 2HD2 ASN 13 2HD2 ASN 13 -1.164 9.893 -6.113 83 H ASP 14 H ASP 14 1.012 7.672 -0.930 84 HA ASP 14 HA ASP 14 0.516 5.167 -2.403 85 1HB ASP 14 2HB ASP 14 0.384 4.221 -0.154 86 2HB ASP 14 1HB ASP 14 1.762 5.316 -0.235 87 H GLN 15 H GLN 15 -1.513 4.105 -2.501 88 HA GLN 15 HA GLN 15 -3.906 5.449 -1.368 89 1HB GLN 15 2HB GLN 15 -2.948 5.710 -4.088 90 2HB GLN 15 1HB GLN 15 -4.516 4.904 -4.085 91 1HG GLN 15 2HG GLN 15 -5.014 6.861 -2.281 92 2HG GLN 15 1HG GLN 15 -3.813 7.677 -3.281 93 1HE2 GLN 15 1HE2 GLN 15 -4.877 8.918 -4.844 94 2HE2 GLN 15 2HE2 GLN 15 -6.258 8.425 -5.700 95 H CYS 16 H CYS 16 -3.125 3.088 -0.398 96 HA CYS 16 HA CYS 16 -4.119 0.794 -1.929 97 1HB CYS 16 2HB CYS 16 -2.335 1.228 0.128 98 2HB CYS 16 1HB CYS 16 -3.713 0.533 0.982 99 H CYS 17 H CYS 17 -5.783 -0.693 -0.761 100 HA CYS 17 HA CYS 17 -8.231 0.857 -0.306 101 1HB CYS 17 2HB CYS 17 -7.712 -1.472 -1.506 102 2HB CYS 17 1HB CYS 17 -8.029 -2.103 0.111 103 H LYS 18 H LYS 18 -9.251 1.192 1.656 104 HA LYS 18 HA LYS 18 -7.741 0.700 4.120 105 1HB LYS 18 2HB LYS 18 -10.252 2.108 3.273 106 2HB LYS 18 1HB LYS 18 -10.011 1.772 4.987 107 1HG LYS 18 2HG LYS 18 -7.591 2.762 4.481 108 2HG LYS 18 1HG LYS 18 -8.453 3.570 3.172 109 1HD LYS 18 2HD LYS 18 -9.846 3.653 5.772 110 2HD LYS 18 1HD LYS 18 -8.306 4.511 5.747 111 1HE LYS 18 2HE LYS 18 -9.547 6.228 4.870 112 2HE LYS 18 1HE LYS 18 -9.422 5.311 3.356 113 1HZ LYS 18 1HZ LYS 18 -11.421 4.091 3.969 114 2HZ LYS 18 2HZ LYS 18 -11.739 5.759 3.911 115 3HZ LYS 18 3HZ LYS 18 -11.551 4.980 5.409 116 H SER 19 H SER 19 -10.223 -1.004 2.380 117 HA SER 19 HA SER 19 -11.672 -2.267 4.474 118 1HB SER 19 2HB SER 19 -12.069 -2.289 1.964 119 2HB SER 19 1HB SER 19 -10.788 -3.493 1.844 120 HG SER 19 HG SER 19 -12.611 -4.663 2.080 121 H SER 20 H SER 20 -8.600 -3.230 2.905 122 HA SER 20 HA SER 20 -8.276 -5.438 4.880 123 1HB SER 20 2HB SER 20 -7.710 -5.035 2.137 124 2HB SER 20 1HB SER 20 -6.148 -5.136 2.944 125 HG SER 20 HG SER 20 -8.121 -7.044 2.602 126 H ASN 21 H ASN 21 -7.593 -2.206 4.879 127 HA ASN 21 HA ASN 21 -6.010 -0.844 5.960 128 1HB ASN 21 2HB ASN 21 -6.649 -3.179 7.513 129 2HB ASN 21 1HB ASN 21 -4.965 -2.750 7.809 130 1HD2 ASN 21 1HD2 ASN 21 -8.298 -1.688 8.241 131 2HD2 ASN 21 2HD2 ASN 21 -7.934 -0.321 9.179 132 H LEU 22 H LEU 22 -4.748 -1.110 3.814 133 HA LEU 22 HA LEU 22 -2.159 -2.555 4.299 134 1HB LEU 22 2HB LEU 22 -3.829 -1.974 1.852 135 2HB LEU 22 1HB LEU 22 -2.125 -2.406 1.706 136 HG LEU 22 HG LEU 22 -3.915 -4.106 3.412 137 1HD1 LEU 22 1HD1 LEU 22 -3.741 -4.155 0.387 138 2HD1 LEU 22 2HD1 LEU 22 -5.192 -3.944 1.367 139 3HD1 LEU 22 3HD1 LEU 22 -4.356 -5.497 1.352 140 1HD2 LEU 22 1HD2 LEU 22 -1.474 -4.578 1.672 141 2HD2 LEU 22 2HD2 LEU 22 -2.333 -5.856 2.532 142 3HD2 LEU 22 3HD2 LEU 22 -1.531 -4.572 3.435 143 H VAL 23 H VAL 23 -0.231 -1.405 3.918 144 HA VAL 23 HA VAL 23 -0.509 1.504 3.225 145 HB VAL 23 HB VAL 23 1.336 1.855 4.908 146 1HG1 VAL 23 1HG1 VAL 23 -0.170 2.089 6.633 147 2HG1 VAL 23 2HG1 VAL 23 -0.855 0.480 6.397 148 3HG1 VAL 23 3HG1 VAL 23 -1.309 1.799 5.317 149 1HG2 VAL 23 1HG2 VAL 23 2.222 0.140 6.161 150 2HG2 VAL 23 2HG2 VAL 23 1.800 -0.795 4.728 151 3HG2 VAL 23 3HG2 VAL 23 0.728 -0.798 6.128 152 H CYS 24 H CYS 24 1.261 2.390 2.016 153 HA CYS 24 HA CYS 24 2.647 0.499 0.285 154 1HB CYS 24 2HB CYS 24 1.727 2.940 -0.089 155 2HB CYS 24 1HB CYS 24 3.310 3.423 0.519 156 H SER 25 H SER 25 4.840 -0.064 0.314 157 HA SER 25 HA SER 25 6.389 0.744 2.752 158 1HB SER 25 2HB SER 25 5.645 -1.679 2.234 159 2HB SER 25 1HB SER 25 6.862 -1.645 0.962 160 HG SER 25 HG SER 25 8.251 -2.037 2.477 161 H ARG 26 H ARG 26 8.802 0.815 2.399 162 HA ARG 26 HA ARG 26 9.433 2.191 -0.172 163 1HB ARG 26 2HB ARG 26 10.058 2.522 2.609 164 2HB ARG 26 1HB ARG 26 11.564 2.260 1.730 165 1HG ARG 26 2HG ARG 26 11.088 4.079 0.221 166 2HG ARG 26 1HG ARG 26 9.454 4.252 0.862 167 1HD ARG 26 2HD ARG 26 10.683 5.978 1.948 168 2HD ARG 26 1HD ARG 26 10.638 4.676 3.152 169 HE ARG 26 HE ARG 26 12.923 4.589 1.286 170 1HH1 ARG 26 2HH1 ARG 26 12.833 3.344 4.054 171 2HH1 ARG 26 1HH1 ARG 26 13.851 4.421 4.950 172 1HH2 ARG 26 1HH2 ARG 26 13.739 6.944 2.560 173 2HH2 ARG 26 2HH2 ARG 26 14.365 6.465 4.102 174 H ALA 27 H ALA 27 10.109 -0.764 1.578 175 HA ALA 27 HA ALA 27 12.655 -1.490 0.579 176 1HB ALA 27 1HB ALA 27 10.186 -3.131 1.215 177 2HB ALA 27 2HB ALA 27 11.475 -2.695 2.337 178 3HB ALA 27 3HB ALA 27 11.800 -3.813 1.013 179 H HIS 28 H HIS 28 9.451 -2.285 -0.804 180 HA HIS 28 HA HIS 28 10.779 -2.588 -3.480 181 1HB HIS 28 2HB HIS 28 8.874 -4.348 -1.954 182 2HB HIS 28 1HB HIS 28 8.870 -4.390 -3.717 183 HD1 HIS 28 HD1 HIS 28 11.544 -4.542 -4.694 184 HD2 HIS 28 HD2 HIS 28 10.674 -6.174 -0.956 185 HE1 HIS 28 HE1 HIS 28 13.406 -6.181 -4.176 186 H ARG 29 H ARG 29 8.945 -0.470 -1.982 187 HA ARG 29 HA ARG 29 7.151 0.952 -2.551 188 1HB ARG 29 2HB ARG 29 8.073 0.045 -5.302 189 2HB ARG 29 1HB ARG 29 7.139 1.500 -4.968 190 1HG ARG 29 2HG ARG 29 9.958 0.896 -4.024 191 2HG ARG 29 1HG ARG 29 9.475 2.122 -5.196 192 1HD ARG 29 2HD ARG 29 7.934 2.933 -3.154 193 2HD ARG 29 1HD ARG 29 9.223 2.155 -2.216 194 HE ARG 29 HE ARG 29 9.506 4.622 -3.669 195 1HH1 ARG 29 2HH1 ARG 29 11.251 3.089 -1.512 196 2HH1 ARG 29 1HH1 ARG 29 12.770 3.086 -2.343 197 1HH2 ARG 29 1HH2 ARG 29 11.400 3.999 -5.401 198 2HH2 ARG 29 2HH2 ARG 29 12.855 3.602 -4.549 199 H TRP 30 H TRP 30 5.860 -1.062 -1.621 200 HA TRP 30 HA TRP 30 3.712 -1.666 -3.580 201 1HB TRP 30 2HB TRP 30 3.923 -4.046 -3.307 202 2HB TRP 30 1HB TRP 30 5.541 -3.444 -3.653 203 HD1 TRP 30 HD1 TRP 30 6.809 -2.654 -1.131 204 HE1 TRP 30 HE1 TRP 30 7.085 -4.198 0.915 205 HE3 TRP 30 HE3 TRP 30 3.141 -6.059 -2.110 206 HZ2 TRP 30 HZ2 TRP 30 5.899 -6.572 1.992 207 HZ3 TRP 30 HZ3 TRP 30 2.733 -7.950 -0.562 208 HH2 TRP 30 HH2 TRP 30 4.107 -8.211 1.486 209 H CYS 31 H CYS 31 1.914 -2.968 -2.347 210 HA CYS 31 HA CYS 31 1.363 -1.513 0.168 211 1HB CYS 31 2HB CYS 31 -0.111 -2.964 -1.953 212 2HB CYS 31 1HB CYS 31 -0.805 -3.095 -0.338 213 H LYS 32 H LYS 32 1.974 -2.423 2.072 214 HA LYS 32 HA LYS 32 2.004 -5.417 2.302 215 1HB LYS 32 2HB LYS 32 3.791 -5.033 3.978 216 2HB LYS 32 1HB LYS 32 4.215 -4.326 2.421 217 1HG LYS 32 2HG LYS 32 3.953 -2.150 3.181 218 2HG LYS 32 1HG LYS 32 2.781 -2.609 4.415 219 1HD LYS 32 2HD LYS 32 5.121 -3.978 5.123 220 2HD LYS 32 1HD LYS 32 5.672 -2.378 4.627 221 1HE LYS 32 2HE LYS 32 4.321 -1.283 6.253 222 2HE LYS 32 1HE LYS 32 3.342 -2.737 6.531 223 1HZ LYS 32 1HZ LYS 32 6.248 -2.452 7.109 224 2HZ LYS 32 2HZ LYS 32 5.343 -3.875 7.318 225 3HZ LYS 32 3HZ LYS 32 5.009 -2.505 8.265 226 H TYR 33 H TYR 33 1.337 -6.275 4.416 227 HA TYR 33 HA TYR 33 -0.728 -4.559 5.725 228 1HB TYR 33 2HB TYR 33 -1.361 -6.744 4.717 229 2HB TYR 33 1HB TYR 33 -0.223 -7.555 5.792 230 HD1 TYR 33 HD1 TYR 33 -1.032 -8.407 7.809 231 HD2 TYR 33 HD2 TYR 33 -3.064 -5.102 5.964 232 HE1 TYR 33 HE1 TYR 33 -2.756 -8.472 9.588 233 HE2 TYR 33 HE2 TYR 33 -4.788 -5.167 7.745 234 HH TYR 33 HH TYR 33 -4.615 -6.197 10.432 235 H GLU 34 H GLU 34 0.744 -3.376 7.113 236 HA GLU 34 HA GLU 34 1.948 -2.997 9.107 237 1HB GLU 34 2HB GLU 34 -0.126 -4.856 9.527 238 2HB GLU 34 1HB GLU 34 1.269 -5.520 10.376 239 1HG GLU 34 2HG GLU 34 1.443 -3.693 11.807 240 2HG GLU 34 1HG GLU 34 0.638 -2.602 10.678 241 H ILE 35 H ILE 35 3.360 -4.598 10.810 242 HA ILE 35 HA ILE 35 5.670 -5.391 9.208 243 HB ILE 35 HB ILE 35 4.962 -5.509 12.160 244 1HG1 ILE 35 2HG1 ILE 35 7.091 -3.770 10.975 245 2HG1 ILE 35 1HG1 ILE 35 5.410 -3.310 10.707 246 1HG2 ILE 35 1HG2 ILE 35 7.487 -5.792 12.422 247 2HG2 ILE 35 2HG2 ILE 35 7.523 -6.212 10.710 248 3HG2 ILE 35 3HG2 ILE 35 6.612 -7.210 11.844 249 1HD1 ILE 35 1HD1 ILE 35 5.032 -2.854 12.929 250 2HD1 ILE 35 2HD1 ILE 35 6.766 -2.535 12.892 251 3HD1 ILE 35 3HD1 ILE 35 6.167 -4.085 13.483 252 1HN NH2 36 1HN NH2 36 3.121 -8.406 9.893 253 2HN NH2 36 2HN NH2 36 2.827 -6.655 9.825 Start of MODEL 5 1 1H GLU 1 1H GLU 1 11.078 6.901 3.028 2 2H GLU 1 2H GLU 1 11.305 8.339 2.153 3 3H GLU 1 3H GLU 1 11.561 6.835 1.403 4 HA GLU 1 HA GLU 1 8.937 7.866 2.372 5 1HB GLU 1 2HB GLU 1 10.405 7.735 -0.254 6 2HB GLU 1 1HB GLU 1 8.642 7.692 -0.240 7 1HG GLU 1 2HG GLU 1 8.454 9.849 0.597 8 2HG GLU 1 1HG GLU 1 10.035 9.796 1.377 9 H CYS 2 H CYS 2 8.935 5.691 3.542 10 HA CYS 2 HA CYS 2 8.002 3.543 1.675 11 1HB CYS 2 2HB CYS 2 10.458 3.438 2.613 12 2HB CYS 2 1HB CYS 2 9.672 2.947 4.113 13 H LEU 3 H LEU 3 6.068 2.699 2.341 14 HA LEU 3 HA LEU 3 5.125 3.337 5.115 15 1HB LEU 3 2HB LEU 3 3.615 2.621 2.577 16 2HB LEU 3 1HB LEU 3 2.883 3.111 4.103 17 HG LEU 3 HG LEU 3 4.779 4.815 2.456 18 1HD1 LEU 3 1HD1 LEU 3 2.532 4.474 1.417 19 2HD1 LEU 3 2HD1 LEU 3 2.795 6.144 1.919 20 3HD1 LEU 3 3HD1 LEU 3 1.785 5.078 2.896 21 1HD2 LEU 3 1HD2 LEU 3 3.797 6.588 4.075 22 2HD2 LEU 3 2HD2 LEU 3 5.013 5.484 4.718 23 3HD2 LEU 3 3HD2 LEU 3 3.305 5.214 5.065 24 H GLY 4 H GLY 4 5.519 1.574 6.416 25 1HA GLY 4 2HA GLY 4 5.722 -1.136 5.461 26 2HA GLY 4 1HA GLY 4 5.608 -0.652 7.153 27 H PHE 5 H PHE 5 4.271 -2.897 6.544 28 HA PHE 5 HA PHE 5 1.611 -2.675 5.539 29 1HB PHE 5 2HB PHE 5 2.843 -4.777 5.901 30 2HB PHE 5 1HB PHE 5 2.828 -4.501 7.641 31 HD1 PHE 5 HD1 PHE 5 1.403 -6.056 8.640 32 HD2 PHE 5 HD2 PHE 5 0.175 -4.118 5.007 33 HE1 PHE 5 HE1 PHE 5 -0.812 -7.159 8.798 34 HE2 PHE 5 HE2 PHE 5 -2.037 -5.222 5.167 35 HZ PHE 5 HZ PHE 5 -2.532 -6.742 7.061 36 H GLY 6 H GLY 6 0.069 -1.320 6.353 37 1HA GLY 6 2HA GLY 6 -1.554 -0.965 8.189 38 2HA GLY 6 1HA GLY 6 -0.215 -1.124 9.325 39 H LYS 7 H LYS 7 -0.539 0.794 6.318 40 HA LYS 7 HA LYS 7 -0.303 3.303 7.914 41 1HB LYS 7 2HB LYS 7 1.712 2.030 6.165 42 2HB LYS 7 1HB LYS 7 1.442 3.742 5.836 43 1HG LYS 7 2HG LYS 7 2.231 4.407 7.896 44 2HG LYS 7 1HG LYS 7 1.711 2.923 8.693 45 1HD LYS 7 2HD LYS 7 3.594 2.004 6.901 46 2HD LYS 7 1HD LYS 7 4.272 3.553 7.401 47 1HE LYS 7 2HE LYS 7 3.174 1.750 9.534 48 2HE LYS 7 1HE LYS 7 4.754 1.358 8.828 49 1HZ LYS 7 1HZ LYS 7 5.012 2.896 10.676 50 2HZ LYS 7 2HZ LYS 7 3.951 4.000 9.940 51 3HZ LYS 7 3HZ LYS 7 5.451 3.649 9.222 52 H GLY 8 H GLY 8 -1.615 4.874 7.052 53 1HA GLY 8 2HA GLY 8 -3.332 4.321 4.821 54 2HA GLY 8 1HA GLY 8 -3.173 5.884 5.619 55 H CYS 9 H CYS 9 -3.108 4.791 2.676 56 HA CYS 9 HA CYS 9 -0.924 6.628 1.795 57 1HB CYS 9 2HB CYS 9 -0.344 4.847 0.073 58 2HB CYS 9 1HB CYS 9 0.047 4.419 1.737 59 H ASN 10 H ASN 10 -1.177 6.557 -0.870 60 HA ASN 10 HA ASN 10 -4.057 7.228 -1.363 61 1HB ASN 10 2HB ASN 10 -1.828 8.768 -1.565 62 2HB ASN 10 1HB ASN 10 -1.896 8.116 -3.202 63 1HD2 ASN 10 1HD2 ASN 10 -3.876 9.885 -0.779 64 2HD2 ASN 10 2HD2 ASN 10 -4.882 10.632 -1.924 65 HA PRO 11 HA PRO 11 -4.206 3.846 -4.215 66 1HB PRO 11 2HB PRO 11 -6.310 4.685 -5.760 67 2HB PRO 11 1HB PRO 11 -6.509 4.018 -4.127 68 1HG PRO 11 2HG PRO 11 -6.501 6.859 -5.022 69 2HG PRO 11 1HG PRO 11 -7.526 6.057 -3.820 70 1HD PRO 11 2HD PRO 11 -5.410 7.614 -3.146 71 2HD PRO 11 1HD PRO 11 -5.953 6.240 -2.158 72 H SER 12 H SER 12 -4.236 7.185 -5.481 73 HA SER 12 HA SER 12 -3.303 6.380 -8.146 74 1HB SER 12 2HB SER 12 -3.271 8.818 -8.499 75 2HB SER 12 1HB SER 12 -4.763 8.346 -7.692 76 HG SER 12 HG SER 12 -2.613 9.830 -6.775 77 H ASN 13 H ASN 13 -1.871 7.463 -5.111 78 HA ASN 13 HA ASN 13 0.844 7.471 -6.380 79 1HB ASN 13 2HB ASN 13 -0.169 9.537 -5.214 80 2HB ASN 13 1HB ASN 13 0.015 8.639 -3.709 81 1HD2 ASN 13 1HD2 ASN 13 1.471 11.068 -4.189 82 2HD2 ASN 13 2HD2 ASN 13 3.121 10.684 -4.311 83 H ASP 14 H ASP 14 0.303 4.967 -6.088 84 HA ASP 14 HA ASP 14 0.361 3.782 -3.470 85 1HB ASP 14 2HB ASP 14 1.307 2.703 -6.151 86 2HB ASP 14 1HB ASP 14 0.877 1.734 -4.743 87 H GLN 15 H GLN 15 2.049 4.033 -2.061 88 HA GLN 15 HA GLN 15 4.830 3.725 -3.118 89 1HB GLN 15 2HB GLN 15 5.474 5.654 -1.662 90 2HB GLN 15 1HB GLN 15 4.332 6.113 -2.924 91 1HG GLN 15 2HG GLN 15 2.575 6.387 -1.430 92 2HG GLN 15 1HG GLN 15 3.253 5.252 -0.263 93 1HE2 GLN 15 1HE2 GLN 15 3.285 8.610 -1.326 94 2HE2 GLN 15 2HE2 GLN 15 4.282 9.188 -0.079 95 H CYS 16 H CYS 16 3.180 1.778 -1.705 96 HA CYS 16 HA CYS 16 3.839 1.712 1.117 97 1HB CYS 16 2HB CYS 16 3.033 -0.437 -0.873 98 2HB CYS 16 1HB CYS 16 3.048 -0.651 0.876 99 H CYS 17 H CYS 17 5.285 -0.037 2.060 100 HA CYS 17 HA CYS 17 7.943 0.106 0.954 101 1HB CYS 17 2HB CYS 17 6.549 -1.363 3.176 102 2HB CYS 17 1HB CYS 17 8.204 -1.806 2.761 103 H LYS 18 H LYS 18 8.924 -1.210 -0.516 104 HA LYS 18 HA LYS 18 7.410 -3.325 -1.849 105 1HB LYS 18 2HB LYS 18 9.387 -3.390 -3.294 106 2HB LYS 18 1HB LYS 18 8.951 -1.714 -2.967 107 1HG LYS 18 2HG LYS 18 11.016 -1.352 -2.149 108 2HG LYS 18 1HG LYS 18 10.711 -2.543 -0.886 109 1HD LYS 18 2HD LYS 18 12.433 -3.674 -1.853 110 2HD LYS 18 1HD LYS 18 11.213 -4.171 -3.026 111 1HE LYS 18 2HE LYS 18 12.678 -3.257 -4.543 112 2HE LYS 18 1HE LYS 18 11.947 -1.722 -4.034 113 1HZ LYS 18 1HZ LYS 18 14.349 -1.640 -3.777 114 2HZ LYS 18 2HZ LYS 18 14.318 -3.022 -2.790 115 3HZ LYS 18 3HZ LYS 18 13.597 -1.578 -2.258 116 H SER 19 H SER 19 9.433 -3.283 0.926 117 HA SER 19 HA SER 19 10.864 -5.729 0.741 118 1HB SER 19 2HB SER 19 10.359 -3.707 2.611 119 2HB SER 19 1HB SER 19 9.750 -5.167 3.385 120 HG SER 19 HG SER 19 11.728 -5.853 3.582 121 H SER 20 H SER 20 7.524 -5.106 1.879 122 HA SER 20 HA SER 20 7.061 -8.065 1.987 123 1HB SER 20 2HB SER 20 6.699 -6.558 3.997 124 2HB SER 20 1HB SER 20 5.388 -5.796 3.103 125 HG SER 20 HG SER 20 4.198 -7.541 3.350 126 H ASN 21 H ASN 21 6.857 -5.874 -0.355 127 HA ASN 21 HA ASN 21 5.457 -5.496 -2.212 128 1HB ASN 21 2HB ASN 21 6.029 -8.037 -2.084 129 2HB ASN 21 1HB ASN 21 4.352 -8.234 -1.580 130 1HD2 ASN 21 1HD2 ASN 21 4.633 -9.486 -3.872 131 2HD2 ASN 21 2HD2 ASN 21 4.159 -8.572 -5.221 132 H LEU 22 H LEU 22 4.327 -4.016 -0.410 133 HA LEU 22 HA LEU 22 1.557 -4.944 0.176 134 1HB LEU 22 2HB LEU 22 3.219 -2.555 1.038 135 2HB LEU 22 1HB LEU 22 1.571 -2.859 1.589 136 HG LEU 22 HG LEU 22 3.673 -4.997 1.869 137 1HD1 LEU 22 1HD1 LEU 22 4.121 -4.124 4.156 138 2HD1 LEU 22 2HD1 LEU 22 3.159 -2.696 3.777 139 3HD1 LEU 22 3HD1 LEU 22 4.657 -3.009 2.900 140 1HD2 LEU 22 1HD2 LEU 22 1.353 -5.624 2.283 141 2HD2 LEU 22 2HD2 LEU 22 1.143 -4.252 3.371 142 3HD2 LEU 22 3HD2 LEU 22 2.214 -5.578 3.822 143 H VAL 23 H VAL 23 -0.269 -3.624 -0.440 144 HA VAL 23 HA VAL 23 0.261 -1.665 -2.654 145 HB VAL 23 HB VAL 23 -1.809 -2.651 -3.719 146 1HG1 VAL 23 1HG1 VAL 23 0.549 -3.335 -4.310 147 2HG1 VAL 23 2HG1 VAL 23 -0.668 -4.570 -4.632 148 3HG1 VAL 23 3HG1 VAL 23 0.365 -4.699 -3.208 149 1HG2 VAL 23 1HG2 VAL 23 -2.650 -3.637 -1.528 150 2HG2 VAL 23 2HG2 VAL 23 -1.422 -4.889 -1.710 151 3HG2 VAL 23 3HG2 VAL 23 -2.706 -4.731 -2.909 152 H CYS 24 H CYS 24 -1.241 0.091 -2.762 153 HA CYS 24 HA CYS 24 -2.494 0.806 -0.219 154 1HB CYS 24 2HB CYS 24 -1.299 2.246 -2.066 155 2HB CYS 24 1HB CYS 24 -2.888 2.248 -2.831 156 H SER 25 H SER 25 -4.437 -0.114 0.315 157 HA SER 25 HA SER 25 -6.302 -1.174 -1.655 158 1HB SER 25 2HB SER 25 -5.820 -1.915 0.769 159 2HB SER 25 1HB SER 25 -6.823 -0.554 1.262 160 HG SER 25 HG SER 25 -8.079 -2.421 1.057 161 H ARG 26 H ARG 26 -8.389 -0.318 -2.167 162 HA ARG 26 HA ARG 26 -8.587 2.632 -1.987 163 1HB ARG 26 2HB ARG 26 -10.278 2.341 -3.699 164 2HB ARG 26 1HB ARG 26 -8.928 1.277 -4.091 165 1HG ARG 26 2HG ARG 26 -10.135 -0.612 -3.007 166 2HG ARG 26 1HG ARG 26 -11.501 0.461 -2.704 167 1HD ARG 26 2HD ARG 26 -10.514 0.383 -5.513 168 2HD ARG 26 1HD ARG 26 -11.341 -1.074 -4.927 169 HE ARG 26 HE ARG 26 -12.916 1.061 -4.034 170 1HH1 ARG 26 1HH2 ARG 26 -13.882 -1.038 -5.966 171 2HH1 ARG 26 2HH2 ARG 26 -14.287 -0.086 -7.354 172 1HH2 ARG 26 2HH1 ARG 26 -12.504 2.702 -6.289 173 2HH2 ARG 26 1HH1 ARG 26 -13.504 2.039 -7.538 174 H ALA 27 H ALA 27 -9.933 -0.160 -0.404 175 HA ALA 27 HA ALA 27 -12.457 0.999 0.419 176 1HB ALA 27 1HB ALA 27 -12.621 -0.994 1.727 177 2HB ALA 27 2HB ALA 27 -10.867 -1.165 1.811 178 3HB ALA 27 3HB ALA 27 -11.710 -1.457 0.289 179 H HIS 28 H HIS 28 -9.322 0.568 2.082 180 HA HIS 28 HA HIS 28 -10.221 2.561 4.138 181 1HB HIS 28 2HB HIS 28 -8.567 0.069 4.151 182 2HB HIS 28 1HB HIS 28 -8.173 1.325 5.325 183 HD1 HIS 28 HD1 HIS 28 -9.724 1.602 7.306 184 HD2 HIS 28 HD2 HIS 28 -11.317 -0.908 4.383 185 HE1 HIS 28 HE1 HIS 28 -11.828 0.596 8.294 186 H ARG 29 H ARG 29 -8.266 2.355 1.416 187 HA ARG 29 HA ARG 29 -6.462 3.641 0.615 188 1HB ARG 29 2HB ARG 29 -8.108 5.241 2.446 189 2HB ARG 29 1HB ARG 29 -6.466 5.861 2.289 190 1HG ARG 29 2HG ARG 29 -7.713 6.908 0.544 191 2HG ARG 29 1HG ARG 29 -6.771 5.640 -0.240 192 1HD ARG 29 2HD ARG 29 -8.918 5.289 -1.149 193 2HD ARG 29 1HD ARG 29 -8.920 4.164 0.223 194 HE ARG 29 HE ARG 29 -9.869 6.316 1.479 195 1HH1 ARG 29 2HH1 ARG 29 -10.387 7.793 -1.057 196 2HH1 ARG 29 1HH1 ARG 29 -12.021 7.351 -1.422 197 1HH2 ARG 29 1HH2 ARG 29 -12.047 4.626 0.734 198 2HH2 ARG 29 2HH2 ARG 29 -12.963 5.554 -0.406 199 H TRP 30 H TRP 30 -5.378 1.658 1.977 200 HA TRP 30 HA TRP 30 -3.146 2.913 3.477 201 1HB TRP 30 2HB TRP 30 -3.512 1.628 5.452 202 2HB TRP 30 1HB TRP 30 -5.102 2.252 5.019 203 HD1 TRP 30 HD1 TRP 30 -6.365 0.414 3.132 204 HE1 TRP 30 HE1 TRP 30 -6.714 -2.106 3.537 205 HE3 TRP 30 HE3 TRP 30 -2.803 -0.396 6.690 206 HZ2 TRP 30 HZ2 TRP 30 -5.621 -4.192 5.158 207 HZ3 TRP 30 HZ3 TRP 30 -2.475 -2.658 7.646 208 HH2 TRP 30 HH2 TRP 30 -3.878 -4.555 6.886 209 H CYS 31 H CYS 31 -1.407 1.233 3.914 210 HA CYS 31 HA CYS 31 -0.957 -0.379 1.509 211 1HB CYS 31 2HB CYS 31 0.579 0.168 4.066 212 2HB CYS 31 1HB CYS 31 1.205 -0.870 2.786 213 H LYS 32 H LYS 32 -2.198 -2.237 1.442 214 HA LYS 32 HA LYS 32 -2.343 -3.948 3.892 215 1HB LYS 32 2HB LYS 32 -4.327 -4.868 2.850 216 2HB LYS 32 1HB LYS 32 -4.422 -3.114 2.720 217 1HG LYS 32 2HG LYS 32 -3.841 -3.137 0.422 218 2HG LYS 32 1HG LYS 32 -3.242 -4.793 0.503 219 1HD LYS 32 2HD LYS 32 -6.126 -4.154 1.107 220 2HD LYS 32 1HD LYS 32 -5.578 -4.407 -0.550 221 1HE LYS 32 2HE LYS 32 -4.892 -6.655 -0.090 222 2HE LYS 32 1HE LYS 32 -5.026 -6.408 1.662 223 1HZ LYS 32 1HZ LYS 32 -6.995 -7.523 0.787 224 2HZ LYS 32 2HZ LYS 32 -7.271 -6.233 -0.283 225 3HZ LYS 32 3HZ LYS 32 -7.391 -5.991 1.395 226 H TYR 33 H TYR 33 -2.221 -6.353 3.440 227 HA TYR 33 HA TYR 33 -0.105 -6.911 1.393 228 1HB TYR 33 2HB TYR 33 0.434 -7.265 3.796 229 2HB TYR 33 1HB TYR 33 -0.913 -8.397 3.920 230 HD1 TYR 33 HD1 TYR 33 -0.285 -10.635 3.879 231 HD2 TYR 33 HD2 TYR 33 1.924 -7.804 1.522 232 HE1 TYR 33 HE1 TYR 33 1.165 -12.463 3.040 233 HE2 TYR 33 HE2 TYR 33 3.374 -9.632 0.684 234 HH TYR 33 HH TYR 33 2.751 -12.561 0.564 235 H GLU 34 H GLU 34 -0.376 -8.735 0.009 236 HA GLU 34 HA GLU 34 -3.140 -9.436 -0.627 237 1HB GLU 34 2HB GLU 34 -0.880 -9.148 -2.048 238 2HB GLU 34 1HB GLU 34 -0.794 -10.888 -1.769 239 1HG GLU 34 2HG GLU 34 -2.914 -11.258 -2.814 240 2HG GLU 34 1HG GLU 34 -3.285 -9.533 -2.825 241 H ILE 35 H ILE 35 -3.929 -11.674 -0.700 242 HA ILE 35 HA ILE 35 -3.345 -13.178 1.714 243 HB ILE 35 HB ILE 35 -4.980 -13.773 -0.779 244 1HG1 ILE 35 2HG1 ILE 35 -6.051 -13.014 1.933 245 2HG1 ILE 35 1HG1 ILE 35 -5.487 -11.759 0.831 246 1HG2 ILE 35 1HG2 ILE 35 -4.679 -15.218 1.852 247 2HG2 ILE 35 2HG2 ILE 35 -4.667 -15.885 0.219 248 3HG2 ILE 35 3HG2 ILE 35 -6.180 -15.325 0.931 249 1HD1 ILE 35 1HD1 ILE 35 -7.844 -13.572 0.592 250 2HD1 ILE 35 2HD1 ILE 35 -7.002 -13.138 -0.896 251 3HD1 ILE 35 3HD1 ILE 35 -7.679 -11.877 0.135 252 1HN NH2 36 1HN NH2 36 -1.181 -14.383 -1.501 253 2HN NH2 36 2HN NH2 36 -2.104 -12.877 -1.310 Start of MODEL 6 1 1H GLU 1 1H GLU 1 11.479 9.055 -0.761 2 2H GLU 1 2H GLU 1 9.784 9.171 -0.769 3 3H GLU 1 3H GLU 1 10.583 8.273 -1.970 4 HA GLU 1 HA GLU 1 11.363 6.689 -0.281 5 1HB GLU 1 2HB GLU 1 9.989 8.782 1.382 6 2HB GLU 1 1HB GLU 1 10.032 7.120 1.973 7 1HG GLU 1 2HG GLU 1 12.525 7.133 1.628 8 2HG GLU 1 1HG GLU 1 12.413 8.850 1.240 9 H CYS 2 H CYS 2 10.117 4.802 -0.216 10 HA CYS 2 HA CYS 2 7.290 5.045 -1.160 11 1HB CYS 2 2HB CYS 2 7.632 2.751 -1.931 12 2HB CYS 2 1HB CYS 2 8.988 3.742 -2.464 13 H LEU 3 H LEU 3 5.758 3.365 -0.225 14 HA LEU 3 HA LEU 3 6.171 3.152 2.729 15 1HB LEU 3 2HB LEU 3 3.733 3.014 0.922 16 2HB LEU 3 1HB LEU 3 3.671 2.826 2.674 17 HG LEU 3 HG LEU 3 4.872 5.259 1.327 18 1HD1 LEU 3 1HD1 LEU 3 2.773 6.408 1.727 19 2HD1 LEU 3 2HD1 LEU 3 2.088 4.975 2.494 20 3HD1 LEU 3 3HD1 LEU 3 2.439 4.968 0.765 21 1HD2 LEU 3 1HD2 LEU 3 5.584 4.876 3.641 22 2HD2 LEU 3 2HD2 LEU 3 3.906 4.680 4.147 23 3HD2 LEU 3 3HD2 LEU 3 4.479 6.250 3.584 24 H GLY 4 H GLY 4 5.548 1.113 3.784 25 1HA GLY 4 2HA GLY 4 5.671 -1.260 1.963 26 2HA GLY 4 1HA GLY 4 6.572 -1.203 3.477 27 H PHE 5 H PHE 5 5.438 -3.062 4.275 28 HA PHE 5 HA PHE 5 2.536 -3.131 4.485 29 1HB PHE 5 2HB PHE 5 3.972 -5.132 4.358 30 2HB PHE 5 1HB PHE 5 4.750 -4.680 5.874 31 HD1 PHE 5 HD1 PHE 5 3.863 -5.415 7.917 32 HD2 PHE 5 HD2 PHE 5 1.381 -5.429 4.410 33 HE1 PHE 5 HE1 PHE 5 2.074 -6.570 9.187 34 HE2 PHE 5 HE2 PHE 5 -0.407 -6.585 5.680 35 HZ PHE 5 HZ PHE 5 -0.061 -7.155 8.069 36 H GLY 6 H GLY 6 1.260 -2.476 6.213 37 1HA GLY 6 2HA GLY 6 0.695 -1.614 8.335 38 2HA GLY 6 1HA GLY 6 2.357 -1.903 8.848 39 H LYS 7 H LYS 7 1.332 0.053 6.057 40 HA LYS 7 HA LYS 7 2.303 2.505 7.488 41 1HB LYS 7 2HB LYS 7 3.045 1.337 4.803 42 2HB LYS 7 1HB LYS 7 3.248 3.059 5.125 43 1HG LYS 7 2HG LYS 7 4.359 1.956 7.374 44 2HG LYS 7 1HG LYS 7 4.789 0.761 6.150 45 1HD LYS 7 2HD LYS 7 6.397 2.121 5.361 46 2HD LYS 7 1HD LYS 7 5.198 3.376 5.047 47 1HE LYS 7 2HE LYS 7 5.366 3.888 7.593 48 2HE LYS 7 1HE LYS 7 6.880 2.965 7.521 49 1HZ LYS 7 1HZ LYS 7 6.152 5.287 5.810 50 2HZ LYS 7 2HZ LYS 7 7.561 4.353 5.632 51 3HZ LYS 7 3HZ LYS 7 7.322 5.276 7.037 52 H GLY 8 H GLY 8 0.798 4.129 7.370 53 1HA GLY 8 2HA GLY 8 -1.666 3.828 5.924 54 2HA GLY 8 1HA GLY 8 -1.130 5.303 6.726 55 H CYS 9 H CYS 9 -2.195 4.445 3.868 56 HA CYS 9 HA CYS 9 -0.451 6.376 2.416 57 1HB CYS 9 2HB CYS 9 -0.115 4.802 0.608 58 2HB CYS 9 1HB CYS 9 0.323 3.983 2.106 59 H ASN 10 H ASN 10 -1.533 6.615 0.058 60 HA ASN 10 HA ASN 10 -4.465 7.031 0.529 61 1HB ASN 10 2HB ASN 10 -2.259 8.582 -0.566 62 2HB ASN 10 1HB ASN 10 -3.588 8.476 -1.721 63 1HD2 ASN 10 1HD2 ASN 10 -4.762 10.398 -1.481 64 2HD2 ASN 10 2HD2 ASN 10 -5.275 11.034 0.007 65 HA PRO 11 HA PRO 11 -5.147 3.979 -2.617 66 1HB PRO 11 2HB PRO 11 -7.783 4.534 -3.120 67 2HB PRO 11 1HB PRO 11 -7.235 3.651 -1.682 68 1HG PRO 11 2HG PRO 11 -8.032 6.503 -1.962 69 2HG PRO 11 1HG PRO 11 -8.336 5.369 -0.637 70 1HD PRO 11 2HD PRO 11 -6.399 7.291 -0.561 71 2HD PRO 11 1HD PRO 11 -6.305 5.763 0.342 72 H SER 12 H SER 12 -6.287 7.338 -3.149 73 HA SER 12 HA SER 12 -6.483 7.186 -6.016 74 1HB SER 12 2HB SER 12 -7.331 8.933 -4.262 75 2HB SER 12 1HB SER 12 -5.741 9.664 -4.461 76 HG SER 12 HG SER 12 -6.320 10.349 -6.367 77 H ASN 13 H ASN 13 -3.889 8.565 -3.938 78 HA ASN 13 HA ASN 13 -2.016 8.361 -6.263 79 1HB ASN 13 2HB ASN 13 -2.586 10.494 -4.763 80 2HB ASN 13 1HB ASN 13 -1.382 9.775 -3.694 81 1HD2 ASN 13 1HD2 ASN 13 0.785 9.200 -4.820 82 2HD2 ASN 13 2HD2 ASN 13 1.319 10.240 -6.050 83 H ASP 14 H ASP 14 -2.287 5.908 -5.465 84 HA ASP 14 HA ASP 14 -0.961 5.033 -3.079 85 1HB ASP 14 2HB ASP 14 -1.013 2.837 -4.225 86 2HB ASP 14 1HB ASP 14 -2.543 3.687 -4.420 87 H GLN 15 H GLN 15 1.188 4.903 -2.615 88 HA GLN 15 HA GLN 15 3.166 4.856 -4.861 89 1HB GLN 15 2HB GLN 15 2.539 7.135 -3.584 90 2HB GLN 15 1HB GLN 15 3.715 6.508 -2.429 91 1HG GLN 15 2HG GLN 15 5.455 6.916 -3.818 92 2HG GLN 15 1HG GLN 15 4.604 6.252 -5.213 93 1HE2 GLN 15 1HE2 GLN 15 5.435 9.210 -3.540 94 2HE2 GLN 15 2HE2 GLN 15 4.661 10.268 -4.618 95 H CYS 16 H CYS 16 2.325 2.634 -3.272 96 HA CYS 16 HA CYS 16 4.178 2.207 -1.054 97 1HB CYS 16 2HB CYS 16 1.792 1.131 -2.021 98 2HB CYS 16 1HB CYS 16 2.968 -0.155 -2.287 99 H CYS 17 H CYS 17 5.952 0.703 -1.063 100 HA CYS 17 HA CYS 17 7.616 0.718 -3.414 101 1HB CYS 17 2HB CYS 17 7.751 0.058 -0.644 102 2HB CYS 17 1HB CYS 17 8.329 -1.347 -1.538 103 H LYS 18 H LYS 18 7.870 -0.840 -5.011 104 HA LYS 18 HA LYS 18 5.831 -2.957 -5.204 105 1HB LYS 18 2HB LYS 18 6.744 -3.199 -7.467 106 2HB LYS 18 1HB LYS 18 6.518 -1.491 -7.101 107 1HG LYS 18 2HG LYS 18 9.145 -2.308 -6.237 108 2HG LYS 18 1HG LYS 18 8.911 -2.780 -7.919 109 1HD LYS 18 2HD LYS 18 8.003 -0.048 -7.131 110 2HD LYS 18 1HD LYS 18 9.742 -0.320 -7.241 111 1HE LYS 18 2HE LYS 18 8.611 -1.555 -9.535 112 2HE LYS 18 1HE LYS 18 7.855 0.044 -9.394 113 1HZ LYS 18 1HZ LYS 18 10.048 1.016 -9.069 114 2HZ LYS 18 2HZ LYS 18 9.977 0.193 -10.553 115 3HZ LYS 18 3HZ LYS 18 10.773 -0.510 -9.228 116 H SER 19 H SER 19 8.745 -2.868 -3.589 117 HA SER 19 HA SER 19 10.139 -5.216 -4.395 118 1HB SER 19 2HB SER 19 10.836 -3.394 -2.771 119 2HB SER 19 1HB SER 19 9.771 -4.136 -1.581 120 HG SER 19 HG SER 19 11.396 -5.401 -1.188 121 H SER 20 H SER 20 7.557 -4.812 -1.937 122 HA SER 20 HA SER 20 7.253 -7.783 -1.808 123 1HB SER 20 2HB SER 20 7.625 -6.365 0.246 124 2HB SER 20 1HB SER 20 6.074 -5.595 -0.070 125 HG SER 20 HG SER 20 6.667 -8.217 0.730 126 H ASN 21 H ASN 21 5.986 -5.328 -3.629 127 HA ASN 21 HA ASN 21 3.992 -5.050 -4.842 128 1HB ASN 21 2HB ASN 21 4.702 -7.745 -4.725 129 2HB ASN 21 1HB ASN 21 2.993 -7.751 -4.295 130 1HD2 ASN 21 1HD2 ASN 21 1.447 -6.984 -5.912 131 2HD2 ASN 21 2HD2 ASN 21 1.899 -6.773 -7.535 132 H LEU 22 H LEU 22 3.531 -3.770 -2.640 133 HA LEU 22 HA LEU 22 1.294 -4.981 -1.094 134 1HB LEU 22 2HB LEU 22 3.012 -2.500 -0.852 135 2HB LEU 22 1HB LEU 22 1.640 -2.802 0.215 136 HG LEU 22 HG LEU 22 3.408 -5.127 -0.060 137 1HD1 LEU 22 1HD1 LEU 22 5.185 -4.124 1.403 138 2HD1 LEU 22 2HD1 LEU 22 4.465 -2.540 1.115 139 3HD1 LEU 22 3HD1 LEU 22 5.157 -3.451 -0.227 140 1HD2 LEU 22 1HD2 LEU 22 2.227 -3.504 2.210 141 2HD2 LEU 22 2HD2 LEU 22 3.256 -4.911 2.477 142 3HD2 LEU 22 3HD2 LEU 22 1.715 -5.092 1.640 143 H VAL 23 H VAL 23 -0.709 -3.708 -0.783 144 HA VAL 23 HA VAL 23 -1.311 -1.855 -3.066 145 HB VAL 23 HB VAL 23 -3.588 -2.937 -3.063 146 1HG1 VAL 23 1HG1 VAL 23 -2.882 -4.907 -4.282 147 2HG1 VAL 23 2HG1 VAL 23 -1.314 -4.899 -3.474 148 3HG1 VAL 23 3HG1 VAL 23 -1.727 -3.615 -4.610 149 1HG2 VAL 23 1HG2 VAL 23 -3.316 -3.816 -0.674 150 2HG2 VAL 23 2HG2 VAL 23 -2.289 -5.077 -1.355 151 3HG2 VAL 23 3HG2 VAL 23 -3.980 -4.959 -1.840 152 H CYS 24 H CYS 24 -2.565 -0.052 -2.540 153 HA CYS 24 HA CYS 24 -2.774 0.636 0.309 154 1HB CYS 24 2HB CYS 24 -3.094 1.956 -2.359 155 2HB CYS 24 1HB CYS 24 -3.863 2.721 -0.969 156 H SER 25 H SER 25 -4.525 -0.049 1.467 157 HA SER 25 HA SER 25 -7.069 -0.726 0.114 158 1HB SER 25 2HB SER 25 -5.940 -0.973 2.910 159 2HB SER 25 1HB SER 25 -7.611 -1.388 2.542 160 HG SER 25 HG SER 25 -6.624 -3.249 2.147 161 H ARG 26 H ARG 26 -9.018 0.399 0.458 162 HA ARG 26 HA ARG 26 -8.767 3.191 1.375 163 1HB ARG 26 2HB ARG 26 -9.990 2.328 -0.700 164 2HB ARG 26 1HB ARG 26 -11.221 1.707 0.400 165 1HG ARG 26 2HG ARG 26 -12.125 3.755 0.655 166 2HG ARG 26 1HG ARG 26 -10.556 4.454 1.056 167 1HD ARG 26 2HD ARG 26 -10.101 4.296 -1.523 168 2HD ARG 26 1HD ARG 26 -11.868 4.195 -1.644 169 HE ARG 26 HE ARG 26 -10.342 6.505 -0.577 170 1HH1 ARG 26 2HH1 ARG 26 -12.653 6.216 1.197 171 2HH1 ARG 26 1HH1 ARG 26 -13.913 7.061 0.360 172 1HH2 ARG 26 1HH2 ARG 26 -12.259 7.042 -2.697 173 2HH2 ARG 26 2HH2 ARG 26 -13.689 7.530 -1.851 174 H ALA 27 H ALA 27 -9.852 0.160 2.710 175 HA ALA 27 HA ALA 27 -11.866 1.017 4.526 176 1HB ALA 27 1HB ALA 27 -11.589 -1.296 4.261 177 2HB ALA 27 2HB ALA 27 -10.857 -1.022 5.842 178 3HB ALA 27 3HB ALA 27 -9.834 -1.198 4.416 179 H HIS 28 H HIS 28 -8.367 0.572 5.166 180 HA HIS 28 HA HIS 28 -8.638 2.488 7.463 181 1HB HIS 28 2HB HIS 28 -7.144 -0.064 6.991 182 2HB HIS 28 1HB HIS 28 -6.426 1.127 8.075 183 HD1 HIS 28 HD1 HIS 28 -7.240 -1.356 9.469 184 HD2 HIS 28 HD2 HIS 28 -9.979 1.712 8.783 185 HE1 HIS 28 HE1 HIS 28 -9.101 -1.664 11.158 186 H ARG 29 H ARG 29 -7.825 2.812 4.422 187 HA ARG 29 HA ARG 29 -6.192 3.989 3.178 188 1HB ARG 29 2HB ARG 29 -6.429 5.397 5.846 189 2HB ARG 29 1HB ARG 29 -5.493 6.074 4.514 190 1HG ARG 29 2HG ARG 29 -7.541 5.873 3.064 191 2HG ARG 29 1HG ARG 29 -8.447 5.402 4.503 192 1HD ARG 29 2HD ARG 29 -7.391 7.621 5.509 193 2HD ARG 29 1HD ARG 29 -7.279 8.073 3.797 194 HE ARG 29 HE ARG 29 -9.851 7.106 4.993 195 1HH1 ARG 29 2HH1 ARG 29 -9.551 10.024 5.205 196 2HH1 ARG 29 1HH1 ARG 29 -10.211 10.600 3.711 197 1HH2 ARG 29 1HH2 ARG 29 -10.024 7.509 2.132 198 2HH2 ARG 29 2HH2 ARG 29 -10.479 9.172 1.966 199 H TRP 30 H TRP 30 -4.929 1.748 3.871 200 HA TRP 30 HA TRP 30 -2.201 2.663 4.602 201 1HB TRP 30 2HB TRP 30 -1.987 1.106 6.397 202 2HB TRP 30 1HB TRP 30 -3.549 1.877 6.644 203 HD1 TRP 30 HD1 TRP 30 -5.580 0.401 5.119 204 HE1 TRP 30 HE1 TRP 30 -6.025 -2.128 5.349 205 HE3 TRP 30 HE3 TRP 30 -1.117 -1.097 7.086 206 HZ2 TRP 30 HZ2 TRP 30 -4.663 -4.478 6.251 207 HZ3 TRP 30 HZ3 TRP 30 -0.715 -3.483 7.621 208 HH2 TRP 30 HH2 TRP 30 -2.480 -5.174 7.207 209 H CYS 31 H CYS 31 -0.622 0.737 4.261 210 HA CYS 31 HA CYS 31 -1.395 -0.615 1.718 211 1HB CYS 31 2HB CYS 31 0.812 0.858 2.554 212 2HB CYS 31 1HB CYS 31 1.384 -0.809 2.615 213 H LYS 32 H LYS 32 -1.546 -2.824 1.605 214 HA LYS 32 HA LYS 32 -0.462 -4.479 3.845 215 1HB LYS 32 2HB LYS 32 -2.652 -5.639 3.953 216 2HB LYS 32 1HB LYS 32 -2.823 -3.921 4.304 217 1HG LYS 32 2HG LYS 32 -4.118 -3.565 2.481 218 2HG LYS 32 1HG LYS 32 -3.069 -4.529 1.443 219 1HD LYS 32 2HD LYS 32 -5.158 -5.689 1.514 220 2HD LYS 32 1HD LYS 32 -4.071 -6.590 2.571 221 1HE LYS 32 2HE LYS 32 -5.205 -5.976 4.487 222 2HE LYS 32 1HE LYS 32 -5.673 -4.397 3.827 223 1HZ LYS 32 1HZ LYS 32 -7.199 -5.492 2.323 224 2HZ LYS 32 2HZ LYS 32 -7.564 -5.935 3.922 225 3HZ LYS 32 3HZ LYS 32 -6.739 -7.017 2.906 226 H TYR 33 H TYR 33 -0.372 -6.823 3.226 227 HA TYR 33 HA TYR 33 0.103 -7.124 0.287 228 1HB TYR 33 2HB TYR 33 1.971 -7.474 1.927 229 2HB TYR 33 1HB TYR 33 1.050 -8.799 2.638 230 HD1 TYR 33 HD1 TYR 33 1.941 -10.865 2.011 231 HD2 TYR 33 HD2 TYR 33 1.720 -7.709 -0.895 232 HE1 TYR 33 HE1 TYR 33 2.807 -12.406 0.271 233 HE2 TYR 33 HE2 TYR 33 2.585 -9.249 -2.633 234 HH TYR 33 HH TYR 33 2.532 -11.940 -2.900 235 H GLU 34 H GLU 34 -1.969 -7.739 -0.457 236 HA GLU 34 HA GLU 34 -3.138 -10.214 0.776 237 1HB GLU 34 2HB GLU 34 -4.330 -7.870 0.744 238 2HB GLU 34 1HB GLU 34 -4.649 -8.259 -0.946 239 1HG GLU 34 2HG GLU 34 -6.542 -9.097 0.203 240 2HG GLU 34 1HG GLU 34 -5.537 -10.521 -0.063 241 H ILE 35 H ILE 35 -2.105 -11.760 -0.538 242 HA ILE 35 HA ILE 35 -2.759 -11.616 -3.461 243 HB ILE 35 HB ILE 35 -0.342 -11.130 -2.715 244 1HG1 ILE 35 2HG1 ILE 35 0.311 -13.213 -4.448 245 2HG1 ILE 35 1HG1 ILE 35 -1.369 -12.850 -4.841 246 1HG2 ILE 35 1HG2 ILE 35 -0.272 -14.136 -2.354 247 2HG2 ILE 35 2HG2 ILE 35 -0.349 -13.002 -1.005 248 3HG2 ILE 35 3HG2 ILE 35 1.042 -12.991 -2.088 249 1HD1 ILE 35 1HD1 ILE 35 -0.889 -10.695 -5.532 250 2HD1 ILE 35 2HD1 ILE 35 0.627 -11.487 -5.960 251 3HD1 ILE 35 3HD1 ILE 35 0.511 -10.553 -4.469 252 1HN NH2 36 1HN NH2 36 -2.610 -15.260 -3.616 253 2HN NH2 36 2HN NH2 36 -1.640 -13.877 -4.167 Start of MODEL 7 1 1H GLU 1 1H GLU 1 12.451 6.142 0.228 2 2H GLU 1 2H GLU 1 13.679 5.832 1.360 3 3H GLU 1 3H GLU 1 12.090 6.129 1.885 4 HA GLU 1 HA GLU 1 12.980 3.767 0.300 5 1HB GLU 1 2HB GLU 1 13.352 4.392 2.969 6 2HB GLU 1 1HB GLU 1 11.849 3.469 3.002 7 1HG GLU 1 2HG GLU 1 13.449 1.773 3.159 8 2HG GLU 1 1HG GLU 1 13.147 1.820 1.422 9 H CYS 2 H CYS 2 11.193 2.070 0.383 10 HA CYS 2 HA CYS 2 8.713 3.138 -0.627 11 1HB CYS 2 2HB CYS 2 8.062 0.730 -0.596 12 2HB CYS 2 1HB CYS 2 9.663 0.975 -1.290 13 H LEU 3 H LEU 3 6.539 2.459 0.360 14 HA LEU 3 HA LEU 3 6.507 3.213 3.238 15 1HB LEU 3 2HB LEU 3 4.365 2.914 1.102 16 2HB LEU 3 1HB LEU 3 4.057 3.477 2.744 17 HG LEU 3 HG LEU 3 6.123 4.819 0.998 18 1HD1 LEU 3 1HD1 LEU 3 3.321 5.874 1.266 19 2HD1 LEU 3 2HD1 LEU 3 3.684 4.678 0.021 20 3HD1 LEU 3 3HD1 LEU 3 4.530 6.225 0.030 21 1HD2 LEU 3 1HD2 LEU 3 6.102 5.277 3.440 22 2HD2 LEU 3 2HD2 LEU 3 4.414 5.776 3.321 23 3HD2 LEU 3 3HD2 LEU 3 5.670 6.710 2.507 24 H GLY 4 H GLY 4 6.497 1.543 4.700 25 1HA GLY 4 2HA GLY 4 5.781 -1.175 3.885 26 2HA GLY 4 1HA GLY 4 6.310 -0.682 5.492 27 H PHE 5 H PHE 5 4.488 -2.178 6.137 28 HA PHE 5 HA PHE 5 1.732 -1.485 5.615 29 1HB PHE 5 2HB PHE 5 2.590 -3.711 6.333 30 2HB PHE 5 1HB PHE 5 3.011 -3.025 7.902 31 HD1 PHE 5 HD1 PHE 5 1.507 -3.582 9.584 32 HD2 PHE 5 HD2 PHE 5 0.023 -2.862 5.617 33 HE1 PHE 5 HE1 PHE 5 -0.808 -3.968 10.380 34 HE2 PHE 5 HE2 PHE 5 -2.292 -3.248 6.414 35 HZ PHE 5 HZ PHE 5 -2.708 -3.800 8.794 36 H GLY 6 H GLY 6 0.424 -0.020 6.668 37 1HA GLY 6 2HA GLY 6 -0.226 1.127 8.774 38 2HA GLY 6 1HA GLY 6 1.493 1.300 9.134 39 H LYS 7 H LYS 7 2.393 2.123 6.566 40 HA LYS 7 HA LYS 7 1.740 4.955 6.636 41 1HB LYS 7 2HB LYS 7 3.373 3.112 4.882 42 2HB LYS 7 1HB LYS 7 3.202 4.823 4.490 43 1HG LYS 7 2HG LYS 7 3.920 4.200 7.306 44 2HG LYS 7 1HG LYS 7 5.161 3.869 6.097 45 1HD LYS 7 2HD LYS 7 5.541 6.069 5.721 46 2HD LYS 7 1HD LYS 7 3.818 6.448 5.691 47 1HE LYS 7 2HE LYS 7 4.974 5.743 8.353 48 2HE LYS 7 1HE LYS 7 5.420 7.320 7.673 49 1HZ LYS 7 1HZ LYS 7 3.070 7.751 7.242 50 2HZ LYS 7 2HZ LYS 7 3.344 7.485 8.897 51 3HZ LYS 7 3HZ LYS 7 2.653 6.262 7.943 52 H GLY 8 H GLY 8 1.148 6.043 4.411 53 1HA GLY 8 2HA GLY 8 -0.921 4.421 2.995 54 2HA GLY 8 1HA GLY 8 -1.303 6.043 3.567 55 H CYS 9 H CYS 9 -1.318 5.070 0.802 56 HA CYS 9 HA CYS 9 0.422 7.168 -0.371 57 1HB CYS 9 2HB CYS 9 1.806 5.712 -1.494 58 2HB CYS 9 1HB CYS 9 1.391 4.651 -0.151 59 H ASN 10 H ASN 10 -0.005 6.990 -2.966 60 HA ASN 10 HA ASN 10 -2.910 7.323 -3.287 61 1HB ASN 10 2HB ASN 10 -0.552 7.545 -5.191 62 2HB ASN 10 1HB ASN 10 -2.197 8.056 -5.567 63 1HD2 ASN 10 1HD2 ASN 10 0.640 9.430 -4.798 64 2HD2 ASN 10 2HD2 ASN 10 0.121 10.721 -3.826 65 HA PRO 11 HA PRO 11 -3.669 3.281 -4.906 66 1HB PRO 11 2HB PRO 11 -5.918 3.797 -6.381 67 2HB PRO 11 1HB PRO 11 -5.919 3.714 -4.609 68 1HG PRO 11 2HG PRO 11 -5.903 6.095 -6.392 69 2HG PRO 11 1HG PRO 11 -6.750 5.838 -4.858 70 1HD PRO 11 2HD PRO 11 -4.452 7.296 -5.093 71 2HD PRO 11 1HD PRO 11 -4.937 6.452 -3.606 72 H SER 12 H SER 12 -3.972 5.953 -7.293 73 HA SER 12 HA SER 12 -3.454 4.315 -9.613 74 1HB SER 12 2HB SER 12 -3.251 6.502 -10.718 75 2HB SER 12 1HB SER 12 -4.595 6.533 -9.580 76 HG SER 12 HG SER 12 -3.452 7.791 -8.247 77 H ASN 13 H ASN 13 -1.359 6.452 -7.646 78 HA ASN 13 HA ASN 13 1.036 5.223 -8.972 79 1HB ASN 13 2HB ASN 13 0.293 7.826 -8.884 80 2HB ASN 13 1HB ASN 13 1.201 7.739 -7.374 81 1HD2 ASN 13 1HD2 ASN 13 1.494 7.201 -10.905 82 2HD2 ASN 13 2HD2 ASN 13 3.187 7.329 -10.942 83 H ASP 14 H ASP 14 0.374 3.462 -7.240 84 HA ASP 14 HA ASP 14 1.000 4.099 -4.452 85 1HB ASP 14 2HB ASP 14 0.482 1.734 -4.109 86 2HB ASP 14 1HB ASP 14 -0.708 2.438 -5.202 87 H GLN 15 H GLN 15 2.803 3.353 -3.267 88 HA GLN 15 HA GLN 15 5.065 2.118 -4.769 89 1HB GLN 15 2HB GLN 15 6.546 3.910 -3.755 90 2HB GLN 15 1HB GLN 15 5.408 4.510 -4.959 91 1HG GLN 15 2HG GLN 15 3.913 5.327 -3.242 92 2HG GLN 15 1HG GLN 15 4.864 4.551 -1.975 93 1HE2 GLN 15 1HE2 GLN 15 6.981 5.504 -1.445 94 2HE2 GLN 15 2HE2 GLN 15 7.365 7.087 -1.923 95 H CYS 16 H CYS 16 3.359 0.898 -2.831 96 HA CYS 16 HA CYS 16 4.390 1.013 -0.146 97 1HB CYS 16 2HB CYS 16 2.224 -0.039 -1.363 98 2HB CYS 16 1HB CYS 16 3.206 -1.499 -1.235 99 H CYS 17 H CYS 17 5.525 -0.898 0.910 100 HA CYS 17 HA CYS 17 7.983 -1.535 -0.518 101 1HB CYS 17 2HB CYS 17 6.765 -2.383 2.127 102 2HB CYS 17 1HB CYS 17 8.390 -2.844 1.620 103 H LYS 18 H LYS 18 8.548 -3.479 -1.503 104 HA LYS 18 HA LYS 18 6.366 -5.391 -2.074 105 1HB LYS 18 2HB LYS 18 8.203 -4.307 -3.632 106 2HB LYS 18 1HB LYS 18 9.201 -5.634 -3.037 107 1HG LYS 18 2HG LYS 18 8.233 -6.661 -4.871 108 2HG LYS 18 1HG LYS 18 7.043 -7.068 -3.635 109 1HD LYS 18 2HD LYS 18 5.446 -5.816 -4.625 110 2HD LYS 18 1HD LYS 18 6.538 -4.444 -4.816 111 1HE LYS 18 2HE LYS 18 7.584 -6.072 -6.701 112 2HE LYS 18 1HE LYS 18 5.900 -6.629 -6.740 113 1HZ LYS 18 1HZ LYS 18 6.790 -3.794 -6.893 114 2HZ LYS 18 2HZ LYS 18 5.175 -4.326 -6.905 115 3HZ LYS 18 3HZ LYS 18 6.211 -4.715 -8.194 116 H SER 19 H SER 19 8.544 -5.137 0.443 117 HA SER 19 HA SER 19 9.682 -7.764 0.638 118 1HB SER 19 2HB SER 19 8.923 -5.618 2.634 119 2HB SER 19 1HB SER 19 9.776 -7.087 3.105 120 HG SER 19 HG SER 19 10.641 -4.882 1.667 121 H SER 20 H SER 20 6.638 -6.392 1.942 122 HA SER 20 HA SER 20 5.769 -9.163 2.683 123 1HB SER 20 2HB SER 20 5.827 -6.720 4.051 124 2HB SER 20 1HB SER 20 4.133 -6.942 3.626 125 HG SER 20 HG SER 20 5.804 -8.465 5.265 126 H ASN 21 H ASN 21 5.558 -7.537 -0.033 127 HA ASN 21 HA ASN 21 3.964 -7.295 -1.756 128 1HB ASN 21 2HB ASN 21 3.948 -9.806 -0.798 129 2HB ASN 21 1HB ASN 21 2.287 -9.368 -0.403 130 1HD2 ASN 21 1HD2 ASN 21 4.298 -10.501 -2.926 131 2HD2 ASN 21 2HD2 ASN 21 3.226 -10.239 -4.215 132 H LEU 22 H LEU 22 3.585 -5.285 0.036 133 HA LEU 22 HA LEU 22 0.796 -5.288 1.029 134 1HB LEU 22 2HB LEU 22 3.185 -3.441 1.158 135 2HB LEU 22 1HB LEU 22 1.601 -2.926 1.736 136 HG LEU 22 HG LEU 22 2.564 -5.585 2.670 137 1HD1 LEU 22 1HD1 LEU 22 3.683 -2.954 3.685 138 2HD1 LEU 22 2HD1 LEU 22 4.597 -4.230 2.881 139 3HD1 LEU 22 3HD1 LEU 22 3.897 -4.516 4.475 140 1HD2 LEU 22 1HD2 LEU 22 0.382 -4.647 3.349 141 2HD2 LEU 22 2HD2 LEU 22 1.195 -3.227 4.006 142 3HD2 LEU 22 3HD2 LEU 22 1.455 -4.809 4.740 143 H VAL 23 H VAL 23 -0.872 -4.096 0.097 144 HA VAL 23 HA VAL 23 -0.245 -2.649 -2.461 145 HB VAL 23 HB VAL 23 -2.557 -3.350 -3.123 146 1HG1 VAL 23 1HG1 VAL 23 -1.839 -5.399 -3.877 147 2HG1 VAL 23 2HG1 VAL 23 -1.221 -5.885 -2.298 148 3HG1 VAL 23 3HG1 VAL 23 -0.293 -4.773 -3.304 149 1HG2 VAL 23 1HG2 VAL 23 -3.874 -4.779 -1.780 150 2HG2 VAL 23 2HG2 VAL 23 -3.250 -3.596 -0.631 151 3HG2 VAL 23 3HG2 VAL 23 -2.517 -5.196 -0.735 152 H CYS 24 H CYS 24 -1.395 -0.674 -2.844 153 HA CYS 24 HA CYS 24 -2.281 0.715 -0.383 154 1HB CYS 24 2HB CYS 24 -1.052 1.350 -2.913 155 2HB CYS 24 1HB CYS 24 -2.486 2.352 -2.692 156 H SER 25 H SER 25 -4.399 1.279 0.029 157 HA SER 25 HA SER 25 -6.485 0.280 -1.853 158 1HB SER 25 2HB SER 25 -6.378 -0.354 0.594 159 2HB SER 25 1HB SER 25 -6.702 1.332 0.986 160 HG SER 25 HG SER 25 -8.722 0.935 0.616 161 H ARG 26 H ARG 26 -8.070 1.687 -2.704 162 HA ARG 26 HA ARG 26 -7.362 4.544 -2.802 163 1HB ARG 26 2HB ARG 26 -9.047 4.608 -4.539 164 2HB ARG 26 1HB ARG 26 -8.122 3.123 -4.748 165 1HG ARG 26 2HG ARG 26 -10.082 2.246 -3.070 166 2HG ARG 26 1HG ARG 26 -10.957 3.488 -3.967 167 1HD ARG 26 2HD ARG 26 -10.204 2.437 -6.105 168 2HD ARG 26 1HD ARG 26 -9.437 1.142 -5.164 169 HE ARG 26 HE ARG 26 -12.375 1.715 -5.152 170 1HH1 ARG 26 1HH1 ARG 26 -11.136 0.280 -2.756 171 2HH1 ARG 26 2HH1 ARG 26 -11.408 -1.377 -3.182 172 1HH2 ARG 26 1HH2 ARG 26 -12.089 -0.682 -6.518 173 2HH2 ARG 26 2HH2 ARG 26 -11.949 -1.923 -5.317 174 H ALA 27 H ALA 27 -9.522 2.544 -0.949 175 HA ALA 27 HA ALA 27 -11.569 4.502 -0.382 176 1HB ALA 27 1HB ALA 27 -10.608 2.092 1.189 177 2HB ALA 27 2HB ALA 27 -11.775 2.037 -0.132 178 3HB ALA 27 3HB ALA 27 -12.177 2.880 1.364 179 H HIS 28 H HIS 28 -8.716 3.403 1.479 180 HA HIS 28 HA HIS 28 -8.947 5.889 3.148 181 1HB HIS 28 2HB HIS 28 -8.987 3.228 3.873 182 2HB HIS 28 1HB HIS 28 -7.291 3.647 4.115 183 HD1 HIS 28 HD1 HIS 28 -6.754 4.812 6.254 184 HD2 HIS 28 HD2 HIS 28 -10.790 5.186 5.276 185 HE1 HIS 28 HE1 HIS 28 -7.854 6.008 8.196 186 H ARG 29 H ARG 29 -7.231 4.841 0.550 187 HA ARG 29 HA ARG 29 -5.068 5.254 -0.302 188 1HB ARG 29 2HB ARG 29 -5.773 7.539 1.528 189 2HB ARG 29 1HB ARG 29 -4.198 7.518 0.734 190 1HG ARG 29 2HG ARG 29 -5.848 6.884 -1.355 191 2HG ARG 29 1HG ARG 29 -6.883 7.961 -0.418 192 1HD ARG 29 2HD ARG 29 -5.142 9.700 -0.437 193 2HD ARG 29 1HD ARG 29 -4.055 8.616 -1.328 194 HE ARG 29 HE ARG 29 -6.401 8.633 -2.833 195 1HH1 ARG 29 1HH1 ARG 29 -6.574 11.477 -1.718 196 2HH1 ARG 29 2HH1 ARG 29 -5.776 12.372 -2.968 197 1HH2 ARG 29 1HH2 ARG 29 -4.338 9.565 -4.427 198 2HH2 ARG 29 2HH2 ARG 29 -4.507 11.287 -4.505 199 H TRP 30 H TRP 30 -5.106 3.340 1.818 200 HA TRP 30 HA TRP 30 -2.507 3.930 3.185 201 1HB TRP 30 2HB TRP 30 -3.377 3.037 5.180 202 2HB TRP 30 1HB TRP 30 -4.747 3.920 4.517 203 HD1 TRP 30 HD1 TRP 30 -6.186 2.130 2.656 204 HE1 TRP 30 HE1 TRP 30 -7.113 -0.186 3.299 205 HE3 TRP 30 HE3 TRP 30 -3.285 1.128 6.727 206 HZ2 TRP 30 HZ2 TRP 30 -6.678 -2.201 5.283 207 HZ3 TRP 30 HZ3 TRP 30 -3.558 -0.996 7.976 208 HH2 TRP 30 HH2 TRP 30 -5.250 -2.660 7.259 209 H CYS 31 H CYS 31 -1.247 1.963 3.718 210 HA CYS 31 HA CYS 31 -1.342 -0.003 1.508 211 1HB CYS 31 2HB CYS 31 0.583 1.035 3.509 212 2HB CYS 31 1HB CYS 31 0.784 -0.666 3.094 213 H LYS 32 H LYS 32 -1.905 -2.156 1.784 214 HA LYS 32 HA LYS 32 -2.254 -3.247 4.531 215 1HB LYS 32 2HB LYS 32 -4.579 -3.859 4.033 216 2HB LYS 32 1HB LYS 32 -4.366 -2.121 3.837 217 1HG LYS 32 2HG LYS 32 -4.151 -2.396 1.404 218 2HG LYS 32 1HG LYS 32 -4.301 -4.146 1.576 219 1HD LYS 32 2HD LYS 32 -6.558 -3.908 2.470 220 2HD LYS 32 1HD LYS 32 -6.416 -2.150 2.436 221 1HE LYS 32 2HE LYS 32 -6.077 -2.289 -0.062 222 2HE LYS 32 1HE LYS 32 -6.448 -4.021 0.042 223 1HZ LYS 32 1HZ LYS 32 -8.551 -3.520 1.057 224 2HZ LYS 32 2HZ LYS 32 -8.435 -2.642 -0.393 225 3HZ LYS 32 3HZ LYS 32 -8.199 -1.861 1.097 226 H TYR 33 H TYR 33 -2.363 -5.594 4.546 227 HA TYR 33 HA TYR 33 -1.305 -6.841 2.033 228 1HB TYR 33 2HB TYR 33 0.169 -6.872 4.006 229 2HB TYR 33 1HB TYR 33 -1.104 -7.631 4.961 230 HD1 TYR 33 HD1 TYR 33 -0.670 -9.881 5.360 231 HD2 TYR 33 HD2 TYR 33 0.314 -8.215 1.526 232 HE1 TYR 33 HE1 TYR 33 0.073 -12.114 4.580 233 HE2 TYR 33 HE2 TYR 33 1.058 -10.447 0.746 234 HH TYR 33 HH TYR 33 1.963 -12.757 2.379 235 H GLU 34 H GLU 34 -3.063 -7.712 0.963 236 HA GLU 34 HA GLU 34 -5.362 -8.835 2.402 237 1HB GLU 34 2HB GLU 34 -6.262 -9.086 0.177 238 2HB GLU 34 1HB GLU 34 -5.380 -7.560 0.202 239 1HG GLU 34 2HG GLU 34 -3.359 -8.996 -0.631 240 2HG GLU 34 1HG GLU 34 -4.596 -10.171 -1.079 241 H ILE 35 H ILE 35 -6.094 -11.120 1.889 242 HA ILE 35 HA ILE 35 -3.932 -13.016 2.389 243 HB ILE 35 HB ILE 35 -5.821 -14.635 2.418 244 1HG1 ILE 35 2HG1 ILE 35 -8.072 -12.963 2.268 245 2HG1 ILE 35 1HG1 ILE 35 -7.090 -12.524 0.870 246 1HG2 ILE 35 1HG2 ILE 35 -5.250 -13.034 4.345 247 2HG2 ILE 35 2HG2 ILE 35 -6.841 -13.794 4.381 248 3HG2 ILE 35 3HG2 ILE 35 -6.675 -12.121 3.848 249 1HD1 ILE 35 1HD1 ILE 35 -8.612 -14.366 0.296 250 2HD1 ILE 35 2HD1 ILE 35 -7.959 -15.333 1.618 251 3HD1 ILE 35 3HD1 ILE 35 -6.938 -14.917 0.241 252 1HN NH2 36 1HN NH2 36 -4.332 -15.189 -0.509 253 2HN NH2 36 2HN NH2 36 -4.764 -15.192 1.215 Start of MODEL 8 1 1H GLU 1 1H GLU 1 -10.620 8.971 -0.710 2 2H GLU 1 2H GLU 1 -11.346 9.564 -2.127 3 3H GLU 1 3H GLU 1 -9.655 9.579 -1.965 4 HA GLU 1 HA GLU 1 -11.366 7.146 -2.152 5 1HB GLU 1 2HB GLU 1 -10.400 8.979 -4.068 6 2HB GLU 1 1HB GLU 1 -9.325 7.585 -4.174 7 1HG GLU 1 2HG GLU 1 -12.298 7.159 -4.042 8 2HG GLU 1 1HG GLU 1 -11.546 7.604 -5.574 9 H CYS 2 H CYS 2 -10.295 5.239 -1.629 10 HA CYS 2 HA CYS 2 -7.695 5.443 -0.269 11 1HB CYS 2 2HB CYS 2 -8.175 3.163 0.369 12 2HB CYS 2 1HB CYS 2 -9.693 4.053 0.451 13 H LEU 3 H LEU 3 -5.989 3.717 -0.837 14 HA LEU 3 HA LEU 3 -5.521 3.784 -3.781 15 1HB LEU 3 2HB LEU 3 -3.725 3.080 -1.432 16 2HB LEU 3 1HB LEU 3 -3.196 3.285 -3.100 17 HG LEU 3 HG LEU 3 -4.612 5.471 -1.554 18 1HD1 LEU 3 1HD1 LEU 3 -2.605 6.274 -0.745 19 2HD1 LEU 3 2HD1 LEU 3 -1.666 5.548 -2.050 20 3HD1 LEU 3 3HD1 LEU 3 -2.247 4.548 -0.719 21 1HD2 LEU 3 1HD2 LEU 3 -4.573 6.494 -3.562 22 2HD2 LEU 3 2HD2 LEU 3 -3.749 5.108 -4.276 23 3HD2 LEU 3 3HD2 LEU 3 -2.812 6.412 -3.547 24 H GLY 4 H GLY 4 -5.385 1.888 -4.994 25 1HA GLY 4 2HA GLY 4 -6.041 -0.650 -3.563 26 2HA GLY 4 1HA GLY 4 -6.370 -0.341 -5.268 27 H PHE 5 H PHE 5 -5.191 -2.415 -5.612 28 HA PHE 5 HA PHE 5 -2.340 -2.585 -5.024 29 1HB PHE 5 2HB PHE 5 -3.867 -4.530 -5.240 30 2HB PHE 5 1HB PHE 5 -4.134 -4.126 -6.935 31 HD1 PHE 5 HD1 PHE 5 -2.666 -4.916 -8.600 32 HD2 PHE 5 HD2 PHE 5 -1.438 -4.981 -4.483 33 HE1 PHE 5 HE1 PHE 5 -0.633 -6.190 -9.226 34 HE2 PHE 5 HE2 PHE 5 0.594 -6.255 -5.111 35 HZ PHE 5 HZ PHE 5 0.997 -6.859 -7.481 36 H GLY 6 H GLY 6 -0.697 -1.742 -6.250 37 1HA GLY 6 2HA GLY 6 0.430 -1.169 -8.292 38 2HA GLY 6 1HA GLY 6 -1.118 -1.228 -9.136 39 H LYS 7 H LYS 7 -0.154 0.562 -6.193 40 HA LYS 7 HA LYS 7 -0.529 3.137 -7.652 41 1HB LYS 7 2HB LYS 7 -2.458 1.872 -5.993 42 2HB LYS 7 1HB LYS 7 -1.811 3.223 -5.064 43 1HG LYS 7 2HG LYS 7 -2.667 3.553 -7.941 44 2HG LYS 7 1HG LYS 7 -3.813 3.718 -6.611 45 1HD LYS 7 2HD LYS 7 -2.878 5.678 -5.863 46 2HD LYS 7 1HD LYS 7 -1.251 5.213 -6.354 47 1HE LYS 7 2HE LYS 7 -3.222 5.636 -8.554 48 2HE LYS 7 1HE LYS 7 -2.654 7.082 -7.696 49 1HZ LYS 7 1HZ LYS 7 -1.151 6.482 -9.511 50 2HZ LYS 7 2HZ LYS 7 -0.909 4.950 -8.819 51 3HZ LYS 7 3HZ LYS 7 -0.379 6.346 -8.007 52 H GLY 8 H GLY 8 1.035 4.579 -7.007 53 1HA GLY 8 2HA GLY 8 3.008 3.861 -5.035 54 2HA GLY 8 1HA GLY 8 2.879 5.432 -5.825 55 H CYS 9 H CYS 9 3.153 4.431 -2.883 56 HA CYS 9 HA CYS 9 1.252 6.438 -1.768 57 1HB CYS 9 2HB CYS 9 0.699 4.683 0.019 58 2HB CYS 9 1HB CYS 9 0.026 4.390 -1.582 59 H ASN 10 H ASN 10 1.756 6.385 0.830 60 HA ASN 10 HA ASN 10 4.731 6.674 1.053 61 1HB ASN 10 2HB ASN 10 2.322 8.087 2.099 62 2HB ASN 10 1HB ASN 10 3.722 8.018 3.169 63 1HD2 ASN 10 1HD2 ASN 10 5.267 9.631 2.823 64 2HD2 ASN 10 2HD2 ASN 10 5.436 10.521 1.387 65 HA PRO 11 HA PRO 11 4.623 3.256 3.878 66 1HB PRO 11 2HB PRO 11 7.092 3.618 5.010 67 2HB PRO 11 1HB PRO 11 6.858 2.942 3.385 68 1HG PRO 11 2HG PRO 11 7.624 5.703 4.192 69 2HG PRO 11 1HG PRO 11 8.205 4.718 2.839 70 1HD PRO 11 2HD PRO 11 6.375 6.717 2.559 71 2HD PRO 11 1HD PRO 11 6.451 5.300 1.488 72 H SER 12 H SER 12 5.706 6.458 5.067 73 HA SER 12 HA SER 12 5.171 5.918 7.865 74 1HB SER 12 2HB SER 12 6.677 7.684 6.755 75 2HB SER 12 1HB SER 12 5.201 8.598 6.455 76 HG SER 12 HG SER 12 6.581 8.152 8.794 77 H ASN 13 H ASN 13 3.351 7.591 5.282 78 HA ASN 13 HA ASN 13 0.949 7.679 7.064 79 1HB ASN 13 2HB ASN 13 2.109 9.706 5.829 80 2HB ASN 13 1HB ASN 13 1.248 9.091 4.419 81 1HD2 ASN 13 1HD2 ASN 13 0.914 11.055 7.209 82 2HD2 ASN 13 2HD2 ASN 13 -0.777 11.198 7.189 83 H ASP 14 H ASP 14 0.990 5.211 6.415 84 HA ASP 14 HA ASP 14 0.328 4.356 3.764 85 1HB ASP 14 2HB ASP 14 1.146 2.949 5.665 86 2HB ASP 14 1HB ASP 14 -0.422 3.141 6.446 87 H GLN 15 H GLN 15 -1.432 5.172 2.691 88 HA GLN 15 HA GLN 15 -4.047 5.294 4.163 89 1HB GLN 15 2HB GLN 15 -2.662 7.107 2.204 90 2HB GLN 15 1HB GLN 15 -4.426 7.088 2.248 91 1HG GLN 15 2HG GLN 15 -4.152 7.350 4.817 92 2HG GLN 15 1HG GLN 15 -2.502 7.844 4.442 93 1HE2 GLN 15 1HE2 GLN 15 -5.927 8.714 3.933 94 2HE2 GLN 15 2HE2 GLN 15 -5.620 10.320 3.479 95 H CYS 16 H CYS 16 -3.148 2.918 2.886 96 HA CYS 16 HA CYS 16 -4.379 2.796 0.204 97 1HB CYS 16 2HB CYS 16 -2.260 1.583 1.363 98 2HB CYS 16 1HB CYS 16 -3.498 0.370 1.690 99 H CYS 17 H CYS 17 -5.964 0.942 -0.197 100 HA CYS 17 HA CYS 17 -8.238 1.172 1.608 101 1HB CYS 17 2HB CYS 17 -7.696 0.439 -1.066 102 2HB CYS 17 1HB CYS 17 -8.390 -0.996 -0.315 103 H LYS 18 H LYS 18 -8.381 0.027 3.483 104 HA LYS 18 HA LYS 18 -6.700 -2.260 4.086 105 1HB LYS 18 2HB LYS 18 -8.815 -0.609 5.369 106 2HB LYS 18 1HB LYS 18 -8.597 -2.232 6.024 107 1HG LYS 18 2HG LYS 18 -6.667 -1.650 7.031 108 2HG LYS 18 1HG LYS 18 -6.030 -0.965 5.537 109 1HD LYS 18 2HD LYS 18 -8.133 0.581 6.997 110 2HD LYS 18 1HD LYS 18 -6.501 0.568 7.665 111 1HE LYS 18 2HE LYS 18 -5.607 1.326 5.466 112 2HE LYS 18 1HE LYS 18 -7.268 1.408 4.845 113 1HZ LYS 18 1HZ LYS 18 -6.573 3.556 5.724 114 2HZ LYS 18 2HZ LYS 18 -6.234 2.853 7.232 115 3HZ LYS 18 3HZ LYS 18 -7.833 2.912 6.658 116 H SER 19 H SER 19 -9.796 -1.936 2.529 117 HA SER 19 HA SER 19 -11.026 -4.423 3.231 118 1HB SER 19 2HB SER 19 -11.945 -2.368 1.993 119 2HB SER 19 1HB SER 19 -11.165 -3.016 0.553 120 HG SER 19 HG SER 19 -13.498 -3.696 1.622 121 H SER 20 H SER 20 -8.634 -3.593 0.719 122 HA SER 20 HA SER 20 -8.623 -6.355 -0.346 123 1HB SER 20 2HB SER 20 -7.238 -3.748 -0.995 124 2HB SER 20 1HB SER 20 -6.818 -5.250 -1.814 125 HG SER 20 HG SER 20 -8.557 -5.029 -2.958 126 H ASN 21 H ASN 21 -7.299 -5.035 2.380 127 HA ASN 21 HA ASN 21 -5.447 -5.554 3.737 128 1HB ASN 21 2HB ASN 21 -5.958 -8.002 2.047 129 2HB ASN 21 1HB ASN 21 -4.653 -7.995 3.232 130 1HD2 ASN 21 1HD2 ASN 21 -5.512 -9.257 4.929 131 2HD2 ASN 21 2HD2 ASN 21 -6.993 -8.935 5.695 132 H LEU 22 H LEU 22 -4.633 -3.805 1.833 133 HA LEU 22 HA LEU 22 -2.157 -4.975 0.609 134 1HB LEU 22 2HB LEU 22 -3.852 -2.533 -0.008 135 2HB LEU 22 1HB LEU 22 -2.327 -2.887 -0.819 136 HG LEU 22 HG LEU 22 -4.659 -4.820 -0.737 137 1HD1 LEU 22 1HD1 LEU 22 -3.831 -2.843 -2.883 138 2HD1 LEU 22 2HD1 LEU 22 -5.333 -2.815 -1.961 139 3HD1 LEU 22 3HD1 LEU 22 -5.026 -4.122 -3.104 140 1HD2 LEU 22 1HD2 LEU 22 -2.023 -4.699 -2.217 141 2HD2 LEU 22 2HD2 LEU 22 -3.352 -5.729 -2.749 142 3HD2 LEU 22 3HD2 LEU 22 -2.619 -5.982 -1.165 143 H VAL 23 H VAL 23 -0.155 -3.891 0.960 144 HA VAL 23 HA VAL 23 -0.171 -1.766 3.083 145 HB VAL 23 HB VAL 23 1.910 -2.887 3.928 146 1HG1 VAL 23 1HG1 VAL 23 -0.437 -3.383 4.781 147 2HG1 VAL 23 2HG1 VAL 23 0.763 -4.638 5.087 148 3HG1 VAL 23 3HG1 VAL 23 -0.402 -4.833 3.778 149 1HG2 VAL 23 1HG2 VAL 23 2.476 -4.001 1.745 150 2HG2 VAL 23 2HG2 VAL 23 1.130 -5.108 2.011 151 3HG2 VAL 23 3HG2 VAL 23 2.500 -5.104 3.120 152 H CYS 24 H CYS 24 1.451 -0.153 2.869 153 HA CYS 24 HA CYS 24 2.462 0.265 0.138 154 1HB CYS 24 2HB CYS 24 1.446 1.959 1.816 155 2HB CYS 24 1HB CYS 24 3.024 1.925 2.601 156 H SER 25 H SER 25 4.442 -0.479 -0.504 157 HA SER 25 HA SER 25 6.400 -1.437 1.495 158 1HB SER 25 2HB SER 25 7.510 -2.327 -0.523 159 2HB SER 25 1HB SER 25 5.797 -2.732 -0.533 160 HG SER 25 HG SER 25 7.252 -1.003 -2.147 161 H ARG 26 H ARG 26 8.789 -0.847 0.976 162 HA ARG 26 HA ARG 26 8.970 2.121 0.649 163 1HB ARG 26 2HB ARG 26 9.723 0.797 2.735 164 2HB ARG 26 1HB ARG 26 11.065 0.232 1.738 165 1HG ARG 26 2HG ARG 26 11.786 2.524 1.331 166 2HG ARG 26 1HG ARG 26 10.386 3.152 2.201 167 1HD ARG 26 2HD ARG 26 11.222 2.489 4.291 168 2HD ARG 26 1HD ARG 26 12.284 1.256 3.582 169 HE ARG 26 HE ARG 26 13.733 3.061 2.757 170 1HH1 ARG 26 2HH1 ARG 26 11.612 5.230 2.724 171 2HH1 ARG 26 1HH1 ARG 26 12.096 6.206 4.070 172 1HH2 ARG 26 1HH2 ARG 26 14.177 3.777 5.425 173 2HH2 ARG 26 2HH2 ARG 26 13.552 5.383 5.602 174 H ALA 27 H ALA 27 10.347 -0.944 -0.539 175 HA ALA 27 HA ALA 27 12.495 0.009 -2.098 176 1HB ALA 27 1HB ALA 27 12.399 -2.289 -2.023 177 2HB ALA 27 2HB ALA 27 11.572 -2.067 -3.565 178 3HB ALA 27 3HB ALA 27 10.636 -2.315 -2.090 179 H HIS 28 H HIS 28 9.158 -0.604 -3.235 180 HA HIS 28 HA HIS 28 9.684 1.126 -5.611 181 1HB HIS 28 2HB HIS 28 7.805 -1.095 -4.875 182 2HB HIS 28 1HB HIS 28 7.334 0.025 -6.153 183 HD1 HIS 28 HD1 HIS 28 7.611 -1.981 -7.870 184 HD2 HIS 28 HD2 HIS 28 11.136 -0.793 -5.988 185 HE1 HIS 28 HE1 HIS 28 9.512 -3.010 -9.190 186 H ARG 29 H ARG 29 8.239 1.316 -2.527 187 HA ARG 29 HA ARG 29 6.832 2.907 -1.521 188 1HB ARG 29 2HB ARG 29 8.484 4.140 -3.451 189 2HB ARG 29 1HB ARG 29 6.884 4.848 -3.673 190 1HG ARG 29 2HG ARG 29 6.882 5.035 -1.066 191 2HG ARG 29 1HG ARG 29 8.630 4.863 -1.225 192 1HD ARG 29 2HD ARG 29 8.016 6.744 -3.178 193 2HD ARG 29 1HD ARG 29 6.941 7.180 -1.836 194 HE ARG 29 HE ARG 29 9.800 7.485 -1.814 195 1HH1 ARG 29 2HH1 ARG 29 7.484 8.552 0.049 196 2HH1 ARG 29 1HH1 ARG 29 8.076 7.998 1.580 197 1HH2 ARG 29 1HH2 ARG 29 10.417 5.833 0.188 198 2HH2 ARG 29 2HH2 ARG 29 9.743 6.452 1.659 199 H TRP 30 H TRP 30 5.361 0.939 -2.670 200 HA TRP 30 HA TRP 30 2.973 2.399 -3.655 201 1HB TRP 30 2HB TRP 30 2.807 1.116 -5.665 202 2HB TRP 30 1HB TRP 30 4.490 1.628 -5.583 203 HD1 TRP 30 HD1 TRP 30 5.996 -0.330 -4.012 204 HE1 TRP 30 HE1 TRP 30 6.084 -2.856 -4.512 205 HE3 TRP 30 HE3 TRP 30 1.725 -0.823 -6.754 206 HZ2 TRP 30 HZ2 TRP 30 4.540 -4.827 -5.896 207 HZ3 TRP 30 HZ3 TRP 30 1.055 -3.034 -7.651 208 HH2 TRP 30 HH2 TRP 30 2.456 -5.034 -7.226 209 H CYS 31 H CYS 31 1.063 0.805 -3.765 210 HA CYS 31 HA CYS 31 1.080 -0.823 -1.304 211 1HB CYS 31 2HB CYS 31 -0.712 0.846 -2.488 212 2HB CYS 31 1HB CYS 31 -1.298 -0.712 -3.073 213 H LYS 32 H LYS 32 1.292 -3.015 -1.297 214 HA LYS 32 HA LYS 32 0.669 -4.552 -3.786 215 1HB LYS 32 2HB LYS 32 2.820 -5.751 -3.488 216 2HB LYS 32 1HB LYS 32 3.079 -4.024 -3.716 217 1HG LYS 32 2HG LYS 32 3.953 -3.764 -1.639 218 2HG LYS 32 1HG LYS 32 2.715 -4.779 -0.898 219 1HD LYS 32 2HD LYS 32 4.517 -6.170 -0.583 220 2HD LYS 32 1HD LYS 32 4.074 -6.690 -2.209 221 1HE LYS 32 2HE LYS 32 5.680 -4.527 -2.761 222 2HE LYS 32 1HE LYS 32 6.457 -5.192 -1.311 223 1HZ LYS 32 1HZ LYS 32 7.271 -6.332 -3.267 224 2HZ LYS 32 2HZ LYS 32 5.687 -6.718 -3.746 225 3HZ LYS 32 3HZ LYS 32 6.343 -7.402 -2.334 226 H TYR 33 H TYR 33 0.675 -6.993 -3.248 227 HA TYR 33 HA TYR 33 -0.508 -7.405 -0.521 228 1HB TYR 33 2HB TYR 33 -2.023 -7.646 -2.485 229 2HB TYR 33 1HB TYR 33 -0.957 -8.893 -3.134 230 HD1 TYR 33 HD1 TYR 33 -2.632 -8.065 0.131 231 HD2 TYR 33 HD2 TYR 33 -1.567 -11.101 -2.715 232 HE1 TYR 33 HE1 TYR 33 -3.765 -9.771 1.528 233 HE2 TYR 33 HE2 TYR 33 -2.702 -12.807 -1.319 234 HH TYR 33 HH TYR 33 -3.271 -12.772 1.522 235 H GLU 34 H GLU 34 0.315 -9.080 0.736 236 HA GLU 34 HA GLU 34 2.891 -10.253 -0.072 237 1HB GLU 34 2HB GLU 34 1.886 -9.357 2.255 238 2HB GLU 34 1HB GLU 34 1.420 -11.052 2.403 239 1HG GLU 34 2HG GLU 34 3.839 -11.621 1.792 240 2HG GLU 34 1HG GLU 34 4.200 -9.914 2.056 241 H ILE 35 H ILE 35 3.168 -12.351 -0.794 242 HA ILE 35 HA ILE 35 0.727 -14.061 -1.052 243 HB ILE 35 HB ILE 35 3.438 -14.128 -2.425 244 1HG1 ILE 35 2HG1 ILE 35 2.185 -12.139 -3.067 245 2HG1 ILE 35 1HG1 ILE 35 2.130 -13.295 -4.396 246 1HG2 ILE 35 1HG2 ILE 35 2.177 -15.624 -4.047 247 2HG2 ILE 35 2HG2 ILE 35 0.893 -15.715 -2.842 248 3HG2 ILE 35 3HG2 ILE 35 2.500 -16.337 -2.466 249 1HD1 ILE 35 1HD1 ILE 35 -0.091 -14.100 -3.249 250 2HD1 ILE 35 2HD1 ILE 35 -0.110 -12.640 -4.237 251 3HD1 ILE 35 3HD1 ILE 35 -0.052 -12.514 -2.479 252 1HN NH2 36 1HN NH2 36 2.063 -17.028 0.340 253 2HN NH2 36 2HN NH2 36 1.181 -16.386 -1.063 Start of MODEL 9 1 1H GLU 1 1H GLU 1 11.754 5.544 1.883 2 2H GLU 1 2H GLU 1 12.620 6.992 1.682 3 3H GLU 1 3H GLU 1 12.017 6.163 0.326 4 HA GLU 1 HA GLU 1 10.357 7.446 2.442 5 1HB GLU 1 2HB GLU 1 11.659 8.323 -0.047 6 2HB GLU 1 1HB GLU 1 9.931 8.675 -0.009 7 1HG GLU 1 2HG GLU 1 11.512 9.278 2.452 8 2HG GLU 1 1HG GLU 1 11.721 10.347 1.065 9 H CYS 2 H CYS 2 9.251 5.273 2.484 10 HA CYS 2 HA CYS 2 7.169 5.140 0.366 11 1HB CYS 2 2HB CYS 2 7.670 2.844 -0.155 12 2HB CYS 2 1HB CYS 2 9.200 3.715 -0.231 13 H LEU 3 H LEU 3 5.447 3.498 1.018 14 HA LEU 3 HA LEU 3 4.965 3.699 3.951 15 1HB LEU 3 2HB LEU 3 3.215 2.958 1.579 16 2HB LEU 3 1HB LEU 3 2.639 3.113 3.238 17 HG LEU 3 HG LEU 3 4.186 5.429 2.236 18 1HD1 LEU 3 1HD1 LEU 3 3.066 5.596 0.279 19 2HD1 LEU 3 2HD1 LEU 3 1.653 5.995 1.255 20 3HD1 LEU 3 3HD1 LEU 3 1.923 4.332 0.731 21 1HD2 LEU 3 1HD2 LEU 3 3.141 6.232 4.069 22 2HD2 LEU 3 2HD2 LEU 3 2.152 4.778 4.190 23 3HD2 LEU 3 3HD2 LEU 3 1.615 6.128 3.192 24 H GLY 4 H GLY 4 4.699 1.852 5.239 25 1HA GLY 4 2HA GLY 4 5.505 -0.731 3.991 26 2HA GLY 4 1HA GLY 4 5.613 -0.356 5.711 27 H PHE 5 H PHE 5 4.437 -2.498 5.862 28 HA PHE 5 HA PHE 5 1.632 -2.601 5.018 29 1HB PHE 5 2HB PHE 5 3.084 -4.587 5.136 30 2HB PHE 5 1HB PHE 5 3.323 -4.325 6.863 31 HD1 PHE 5 HD1 PHE 5 0.751 -5.090 4.274 32 HD2 PHE 5 HD2 PHE 5 1.721 -5.067 8.460 33 HE1 PHE 5 HE1 PHE 5 -1.312 -6.376 4.762 34 HE2 PHE 5 HE2 PHE 5 -0.342 -6.354 8.945 35 HZ PHE 5 HZ PHE 5 -1.858 -7.009 7.096 36 H GLY 6 H GLY 6 -0.154 -2.103 6.283 37 1HA GLY 6 2HA GLY 6 -1.389 -1.592 8.246 38 2HA GLY 6 1HA GLY 6 0.085 -1.797 9.192 39 H LYS 7 H LYS 7 -0.659 0.353 6.424 40 HA LYS 7 HA LYS 7 -0.244 2.719 8.198 41 1HB LYS 7 2HB LYS 7 1.627 1.590 6.339 42 2HB LYS 7 1HB LYS 7 1.102 3.154 5.714 43 1HG LYS 7 2HG LYS 7 1.989 4.322 7.493 44 2HG LYS 7 1HG LYS 7 1.760 2.985 8.621 45 1HD LYS 7 2HD LYS 7 3.584 1.754 7.322 46 2HD LYS 7 1HD LYS 7 3.920 3.293 6.527 47 1HE LYS 7 2HE LYS 7 3.742 3.346 9.507 48 2HE LYS 7 1HE LYS 7 5.178 2.583 8.796 49 1HZ LYS 7 1HZ LYS 7 5.481 4.984 9.039 50 2HZ LYS 7 2HZ LYS 7 4.115 5.265 8.069 51 3HZ LYS 7 3HZ LYS 7 5.496 4.529 7.406 52 H GLY 8 H GLY 8 -1.895 4.128 7.806 53 1HA GLY 8 2HA GLY 8 -3.745 3.793 5.626 54 2HA GLY 8 1HA GLY 8 -3.713 5.160 6.738 55 H CYS 9 H CYS 9 -3.409 4.396 3.549 56 HA CYS 9 HA CYS 9 -1.858 6.894 3.001 57 1HB CYS 9 2HB CYS 9 -0.197 5.717 2.010 58 2HB CYS 9 1HB CYS 9 -0.912 4.269 2.710 59 H ASN 10 H ASN 10 -2.225 7.621 0.680 60 HA ASN 10 HA ASN 10 -5.078 7.476 0.027 61 1HB ASN 10 2HB ASN 10 -2.778 9.149 -0.475 62 2HB ASN 10 1HB ASN 10 -3.575 8.779 -2.003 63 1HD2 ASN 10 1HD2 ASN 10 -3.601 11.049 0.408 64 2HD2 ASN 10 2HD2 ASN 10 -5.220 11.550 0.314 65 HA PRO 11 HA PRO 11 -4.660 4.089 -2.807 66 1HB PRO 11 2HB PRO 11 -7.019 4.440 -4.164 67 2HB PRO 11 1HB PRO 11 -6.925 3.727 -2.540 68 1HG PRO 11 2HG PRO 11 -7.631 6.509 -3.348 69 2HG PRO 11 1HG PRO 11 -8.354 5.479 -2.101 70 1HD PRO 11 2HD PRO 11 -6.602 7.461 -1.524 71 2HD PRO 11 1HD PRO 11 -6.724 5.975 -0.555 72 H SER 12 H SER 12 -5.647 7.304 -4.041 73 HA SER 12 HA SER 12 -4.876 6.830 -6.788 74 1HB SER 12 2HB SER 12 -5.025 9.341 -6.867 75 2HB SER 12 1HB SER 12 -6.434 8.587 -6.128 76 HG SER 12 HG SER 12 -5.964 9.588 -4.344 77 H ASN 13 H ASN 13 -3.214 8.369 -4.015 78 HA ASN 13 HA ASN 13 -0.669 8.368 -5.595 79 1HB ASN 13 2HB ASN 13 -1.762 10.475 -4.547 80 2HB ASN 13 1HB ASN 13 -1.238 9.813 -2.999 81 1HD2 ASN 13 1HD2 ASN 13 0.969 10.070 -2.432 82 2HD2 ASN 13 2HD2 ASN 13 2.134 10.748 -3.465 83 H ASP 14 H ASP 14 -1.120 5.866 -4.817 84 HA ASP 14 HA ASP 14 -0.240 5.322 -2.069 85 1HB ASP 14 2HB ASP 14 -1.827 3.817 -2.993 86 2HB ASP 14 1HB ASP 14 -0.953 3.700 -4.520 87 H GLN 15 H GLN 15 1.896 5.621 -1.596 88 HA GLN 15 HA GLN 15 3.942 4.865 -3.656 89 1HB GLN 15 2HB GLN 15 3.959 6.809 -1.319 90 2HB GLN 15 1HB GLN 15 5.379 6.449 -2.302 91 1HG GLN 15 2HG GLN 15 2.760 7.588 -3.336 92 2HG GLN 15 1HG GLN 15 4.254 8.496 -3.104 93 1HE2 GLN 15 1HE2 GLN 15 6.245 7.359 -4.320 94 2HE2 GLN 15 2HE2 GLN 15 5.908 6.822 -5.895 95 H CYS 16 H CYS 16 2.825 2.771 -2.207 96 HA CYS 16 HA CYS 16 4.228 2.176 0.259 97 1HB CYS 16 2HB CYS 16 2.078 1.185 -1.232 98 2HB CYS 16 1HB CYS 16 3.267 -0.115 -1.276 99 H CYS 17 H CYS 17 5.973 0.698 0.552 100 HA CYS 17 HA CYS 17 8.090 0.783 -1.375 101 1HB CYS 17 2HB CYS 17 7.550 -0.173 1.296 102 2HB CYS 17 1HB CYS 17 8.471 -1.388 0.413 103 H LYS 18 H LYS 18 8.259 -0.389 -3.239 104 HA LYS 18 HA LYS 18 6.494 -2.602 -3.879 105 1HB LYS 18 2HB LYS 18 7.775 -0.801 -5.337 106 2HB LYS 18 1HB LYS 18 9.055 -2.015 -5.336 107 1HG LYS 18 2HG LYS 18 7.049 -3.644 -5.955 108 2HG LYS 18 1HG LYS 18 6.315 -2.151 -6.539 109 1HD LYS 18 2HD LYS 18 7.511 -2.410 -8.432 110 2HD LYS 18 1HD LYS 18 8.956 -2.061 -7.482 111 1HE LYS 18 2HE LYS 18 9.306 -4.422 -7.023 112 2HE LYS 18 1HE LYS 18 7.759 -4.840 -7.786 113 1HZ LYS 18 1HZ LYS 18 10.023 -3.465 -9.142 114 2HZ LYS 18 2HZ LYS 18 8.546 -3.904 -9.861 115 3HZ LYS 18 3HZ LYS 18 9.626 -5.103 -9.331 116 H SER 19 H SER 19 9.588 -2.402 -2.284 117 HA SER 19 HA SER 19 10.741 -4.920 -2.945 118 1HB SER 19 2HB SER 19 11.913 -4.580 -0.755 119 2HB SER 19 1HB SER 19 11.916 -3.138 -1.765 120 HG SER 19 HG SER 19 10.628 -3.654 0.636 121 H SER 20 H SER 20 8.259 -4.074 -0.524 122 HA SER 20 HA SER 20 8.100 -6.935 0.315 123 1HB SER 20 2HB SER 20 8.326 -4.960 1.917 124 2HB SER 20 1HB SER 20 6.688 -4.511 1.452 125 HG SER 20 HG SER 20 5.919 -6.197 2.503 126 H ASN 21 H ASN 21 6.820 -5.284 -2.170 127 HA ASN 21 HA ASN 21 4.831 -5.420 -3.420 128 1HB ASN 21 2HB ASN 21 5.568 -7.945 -2.343 129 2HB ASN 21 1HB ASN 21 3.812 -7.845 -2.230 130 1HD2 ASN 21 1HD2 ASN 21 2.692 -8.351 -4.127 131 2HD2 ASN 21 2HD2 ASN 21 3.372 -8.350 -5.682 132 H LEU 22 H LEU 22 4.135 -3.535 -1.920 133 HA LEU 22 HA LEU 22 1.722 -4.360 -0.332 134 1HB LEU 22 2HB LEU 22 3.820 -2.220 0.097 135 2HB LEU 22 1HB LEU 22 2.287 -2.224 0.968 136 HG LEU 22 HG LEU 22 4.146 -4.612 0.926 137 1HD1 LEU 22 1HD1 LEU 22 4.014 -3.084 3.417 138 2HD1 LEU 22 2HD1 LEU 22 4.723 -2.156 2.096 139 3HD1 LEU 22 3HD1 LEU 22 5.422 -3.707 2.559 140 1HD2 LEU 22 1HD2 LEU 22 2.825 -5.070 3.071 141 2HD2 LEU 22 2HD2 LEU 22 1.920 -5.219 1.566 142 3HD2 LEU 22 3HD2 LEU 22 1.738 -3.777 2.564 143 H VAL 23 H VAL 23 -0.173 -3.258 -0.790 144 HA VAL 23 HA VAL 23 -0.047 -0.913 -2.652 145 HB VAL 23 HB VAL 23 -2.034 -1.972 -3.816 146 1HG1 VAL 23 1HG1 VAL 23 0.409 -3.757 -3.856 147 2HG1 VAL 23 2HG1 VAL 23 0.391 -2.149 -4.581 148 3HG1 VAL 23 3HG1 VAL 23 -0.694 -3.401 -5.185 149 1HG2 VAL 23 1HG2 VAL 23 -2.935 -3.921 -3.095 150 2HG2 VAL 23 2HG2 VAL 23 -2.015 -3.675 -1.612 151 3HG2 VAL 23 3HG2 VAL 23 -1.351 -4.672 -2.906 152 H CYS 24 H CYS 24 -1.783 0.598 -2.348 153 HA CYS 24 HA CYS 24 -3.018 0.503 0.318 154 1HB CYS 24 2HB CYS 24 -2.151 2.456 -1.509 155 2HB CYS 24 1HB CYS 24 -3.900 2.652 -1.424 156 H SER 25 H SER 25 -4.993 -0.392 0.678 157 HA SER 25 HA SER 25 -6.782 -0.985 -1.623 158 1HB SER 25 2HB SER 25 -5.978 -2.345 0.665 159 2HB SER 25 1HB SER 25 -7.604 -1.805 1.073 160 HG SER 25 HG SER 25 -8.413 -2.992 -0.523 161 H ARG 26 H ARG 26 -9.027 -0.341 -1.568 162 HA ARG 26 HA ARG 26 -9.483 2.285 -0.316 163 1HB ARG 26 2HB ARG 26 -10.881 0.478 -2.277 164 2HB ARG 26 1HB ARG 26 -11.728 1.870 -1.602 165 1HG ARG 26 2HG ARG 26 -10.380 3.393 -2.681 166 2HG ARG 26 1HG ARG 26 -8.970 2.334 -2.636 167 1HD ARG 26 2HD ARG 26 -9.454 2.096 -4.878 168 2HD ARG 26 1HD ARG 26 -10.601 0.886 -4.272 169 HE ARG 26 HE ARG 26 -11.800 3.494 -4.139 170 1HH1 ARG 26 2HH1 ARG 26 -10.663 3.620 -6.893 171 2HH1 ARG 26 1HH1 ARG 26 -11.910 2.889 -7.846 172 1HH2 ARG 26 1HH2 ARG 26 -13.497 1.424 -5.123 173 2HH2 ARG 26 2HH2 ARG 26 -13.519 1.642 -6.841 174 H ALA 27 H ALA 27 -10.070 -0.985 0.576 175 HA ALA 27 HA ALA 27 -12.583 -0.850 1.901 176 1HB ALA 27 1HB ALA 27 -11.705 -2.801 3.130 177 2HB ALA 27 2HB ALA 27 -10.067 -2.386 2.626 178 3HB ALA 27 3HB ALA 27 -11.256 -2.895 1.427 179 H HIS 28 H HIS 28 -9.304 -0.194 3.157 180 HA HIS 28 HA HIS 28 -10.554 1.394 5.373 181 1HB HIS 28 2HB HIS 28 -8.887 -1.006 5.414 182 2HB HIS 28 1HB HIS 28 -8.181 0.301 6.365 183 HD1 HIS 28 HD1 HIS 28 -10.022 1.515 8.051 184 HD2 HIS 28 HD2 HIS 28 -10.859 -2.368 6.785 185 HE1 HIS 28 HE1 HIS 28 -11.747 0.594 9.661 186 H ARG 29 H ARG 29 -9.010 1.938 2.672 187 HA ARG 29 HA ARG 29 -7.353 3.433 1.898 188 1HB ARG 29 2HB ARG 29 -8.582 4.589 4.385 189 2HB ARG 29 1HB ARG 29 -7.272 5.463 3.593 190 1HG ARG 29 2HG ARG 29 -8.645 5.106 1.414 191 2HG ARG 29 1HG ARG 29 -9.989 4.754 2.499 192 1HD ARG 29 2HD ARG 29 -10.326 7.007 2.554 193 2HD ARG 29 1HD ARG 29 -8.874 7.081 3.573 194 HE ARG 29 HE ARG 29 -8.773 7.271 0.581 195 1HH1 ARG 29 2HH1 ARG 29 -6.208 6.776 2.087 196 2HH1 ARG 29 1HH1 ARG 29 -5.597 8.385 2.289 197 1HH2 ARG 29 1HH2 ARG 29 -8.629 9.911 1.550 198 2HH2 ARG 29 2HH2 ARG 29 -6.971 10.163 1.984 199 H TRP 30 H TRP 30 -6.036 1.296 2.908 200 HA TRP 30 HA TRP 30 -3.694 2.525 4.273 201 1HB TRP 30 2HB TRP 30 -3.723 0.941 6.049 202 2HB TRP 30 1HB TRP 30 -5.397 1.465 5.894 203 HD1 TRP 30 HD1 TRP 30 -6.726 -0.202 3.880 204 HE1 TRP 30 HE1 TRP 30 -6.824 -2.778 3.943 205 HE3 TRP 30 HE3 TRP 30 -2.729 -1.157 6.904 206 HZ2 TRP 30 HZ2 TRP 30 -5.393 -4.954 5.122 207 HZ3 TRP 30 HZ3 TRP 30 -2.118 -3.489 7.481 208 HH2 TRP 30 HH2 TRP 30 -3.444 -5.387 6.594 209 H CYS 31 H CYS 31 -1.803 0.945 4.244 210 HA CYS 31 HA CYS 31 -1.643 -0.329 1.579 211 1HB CYS 31 2HB CYS 31 0.108 0.926 3.525 212 2HB CYS 31 1HB CYS 31 0.768 -0.625 3.008 213 H LYS 32 H LYS 32 -1.775 -2.509 1.276 214 HA LYS 32 HA LYS 32 -1.338 -4.335 3.615 215 1HB LYS 32 2HB LYS 32 -3.314 -5.611 2.832 216 2HB LYS 32 1HB LYS 32 -3.747 -3.947 3.220 217 1HG LYS 32 2HG LYS 32 -3.895 -3.328 0.940 218 2HG LYS 32 1HG LYS 32 -3.001 -4.752 0.407 219 1HD LYS 32 2HD LYS 32 -5.117 -5.901 1.721 220 2HD LYS 32 1HD LYS 32 -5.868 -4.460 1.034 221 1HE LYS 32 2HE LYS 32 -4.634 -5.164 -1.171 222 2HE LYS 32 1HE LYS 32 -4.546 -6.759 -0.398 223 1HZ LYS 32 1HZ LYS 32 -6.935 -6.627 0.036 224 2HZ LYS 32 2HZ LYS 32 -6.610 -6.538 -1.629 225 3HZ LYS 32 3HZ LYS 32 -7.010 -5.132 -0.764 226 H TYR 33 H TYR 33 -1.036 -6.666 2.803 227 HA TYR 33 HA TYR 33 0.822 -6.633 0.488 228 1HB TYR 33 2HB TYR 33 1.469 -7.628 2.663 229 2HB TYR 33 1HB TYR 33 0.117 -8.755 2.548 230 HD1 TYR 33 HD1 TYR 33 3.348 -7.755 1.020 231 HD2 TYR 33 HD2 TYR 33 0.213 -10.690 1.123 232 HE1 TYR 33 HE1 TYR 33 4.739 -9.289 -0.344 233 HE2 TYR 33 HE2 TYR 33 1.605 -12.225 -0.240 234 HH TYR 33 HH TYR 33 4.559 -12.248 -0.543 235 H GLU 34 H GLU 34 0.462 -7.849 -1.390 236 HA GLU 34 HA GLU 34 -2.296 -8.968 -1.717 237 1HB GLU 34 2HB GLU 34 -0.937 -7.074 -3.142 238 2HB GLU 34 1HB GLU 34 -0.523 -8.525 -4.056 239 1HG GLU 34 2HG GLU 34 -3.350 -7.710 -3.313 240 2HG GLU 34 1HG GLU 34 -2.609 -7.427 -4.887 241 H ILE 35 H ILE 35 -2.383 -11.174 -1.640 242 HA ILE 35 HA ILE 35 0.067 -12.776 -2.029 243 HB ILE 35 HB ILE 35 -1.652 -13.086 -0.189 244 1HG1 ILE 35 2HG1 ILE 35 -1.763 -15.698 -1.479 245 2HG1 ILE 35 1HG1 ILE 35 -0.168 -14.966 -1.641 246 1HG2 ILE 35 1HG2 ILE 35 -3.761 -14.083 -0.670 247 2HG2 ILE 35 2HG2 ILE 35 -3.308 -14.420 -2.340 248 3HG2 ILE 35 3HG2 ILE 35 -3.604 -12.759 -1.823 249 1HD1 ILE 35 1HD1 ILE 35 -0.570 -16.367 0.469 250 2HD1 ILE 35 2HD1 ILE 35 -1.622 -15.058 1.007 251 3HD1 ILE 35 3HD1 ILE 35 0.090 -14.749 0.714 252 1HN NH2 36 1HN NH2 36 -1.898 -12.340 -5.362 253 2HN NH2 36 2HN NH2 36 -1.522 -11.239 -4.019 Start of MODEL 10 1 1H GLU 1 1H GLU 1 9.778 9.495 2.884 2 2H GLU 1 2H GLU 1 10.847 9.620 4.198 3 3H GLU 1 3H GLU 1 9.267 9.041 4.437 4 HA GLU 1 HA GLU 1 11.439 7.679 2.920 5 1HB GLU 1 2HB GLU 1 11.083 7.911 5.597 6 2HB GLU 1 1HB GLU 1 10.030 6.532 5.278 7 1HG GLU 1 2HG GLU 1 11.803 5.228 4.408 8 2HG GLU 1 1HG GLU 1 12.840 6.637 4.183 9 H CYS 2 H CYS 2 10.635 5.248 2.702 10 HA CYS 2 HA CYS 2 8.318 5.225 0.973 11 1HB CYS 2 2HB CYS 2 10.140 3.704 0.595 12 2HB CYS 2 1HB CYS 2 10.079 3.114 2.254 13 H LEU 3 H LEU 3 6.255 4.322 1.355 14 HA LEU 3 HA LEU 3 5.311 4.423 4.138 15 1HB LEU 3 2HB LEU 3 3.976 3.822 1.475 16 2HB LEU 3 1HB LEU 3 3.113 4.053 2.995 17 HG LEU 3 HG LEU 3 5.031 6.143 1.961 18 1HD1 LEU 3 1HD1 LEU 3 3.548 6.923 0.434 19 2HD1 LEU 3 2HD1 LEU 3 2.175 6.659 1.510 20 3HD1 LEU 3 3HD1 LEU 3 2.799 5.329 0.535 21 1HD2 LEU 3 1HD2 LEU 3 3.785 7.598 3.430 22 2HD2 LEU 3 2HD2 LEU 3 4.157 6.138 4.346 23 3HD2 LEU 3 3HD2 LEU 3 2.542 6.373 3.681 24 H GLY 4 H GLY 4 5.889 2.609 5.330 25 1HA GLY 4 2HA GLY 4 5.925 -0.063 4.124 26 2HA GLY 4 1HA GLY 4 6.275 0.320 5.809 27 H PHE 5 H PHE 5 4.903 -1.284 6.674 28 HA PHE 5 HA PHE 5 2.108 -1.534 5.868 29 1HB PHE 5 2HB PHE 5 3.597 -3.354 6.766 30 2HB PHE 5 1HB PHE 5 3.563 -2.549 8.334 31 HD1 PHE 5 HD1 PHE 5 2.091 -3.498 9.857 32 HD2 PHE 5 HD2 PHE 5 1.035 -3.451 5.693 33 HE1 PHE 5 HE1 PHE 5 -0.055 -4.620 10.389 34 HE2 PHE 5 HE2 PHE 5 -1.112 -4.574 6.224 35 HZ PHE 5 HZ PHE 5 -1.657 -5.159 8.573 36 H GLY 6 H GLY 6 0.355 -0.495 6.765 37 1HA GLY 6 2HA GLY 6 -0.900 0.667 8.428 38 2HA GLY 6 1HA GLY 6 0.563 0.808 9.402 39 H LYS 7 H LYS 7 0.147 1.748 5.991 40 HA LYS 7 HA LYS 7 0.441 4.618 6.796 41 1HB LYS 7 2HB LYS 7 2.144 2.883 5.037 42 2HB LYS 7 1HB LYS 7 1.970 4.586 4.615 43 1HG LYS 7 2HG LYS 7 2.861 3.555 7.326 44 2HG LYS 7 1HG LYS 7 3.940 4.182 6.080 45 1HD LYS 7 2HD LYS 7 2.076 6.196 6.268 46 2HD LYS 7 1HD LYS 7 2.174 5.636 7.938 47 1HE LYS 7 2HE LYS 7 4.748 5.762 7.631 48 2HE LYS 7 1HE LYS 7 4.385 6.754 6.205 49 1HZ LYS 7 1HZ LYS 7 2.951 8.139 7.613 50 2HZ LYS 7 2HZ LYS 7 4.563 8.161 8.146 51 3HZ LYS 7 3HZ LYS 7 3.405 7.232 8.973 52 H GLY 8 H GLY 8 -1.083 5.855 5.779 53 1HA GLY 8 2HA GLY 8 -2.861 4.677 3.801 54 2HA GLY 8 1HA GLY 8 -2.931 6.335 4.395 55 H CYS 9 H CYS 9 -2.752 4.869 1.603 56 HA CYS 9 HA CYS 9 -0.965 6.935 0.399 57 1HB CYS 9 2HB CYS 9 0.508 5.380 -0.372 58 2HB CYS 9 1HB CYS 9 -0.210 4.302 0.820 59 H ASN 10 H ASN 10 -1.317 6.899 -2.103 60 HA ASN 10 HA ASN 10 -4.226 6.938 -2.599 61 1HB ASN 10 2HB ASN 10 -1.712 7.830 -3.998 62 2HB ASN 10 1HB ASN 10 -3.237 7.785 -4.881 63 1HD2 ASN 10 1HD2 ASN 10 -1.341 9.904 -3.200 64 2HD2 ASN 10 2HD2 ASN 10 -2.536 10.942 -2.587 65 HA PRO 11 HA PRO 11 -4.356 3.035 -4.671 66 1HB PRO 11 2HB PRO 11 -6.463 3.474 -6.368 67 2HB PRO 11 1HB PRO 11 -6.661 3.194 -4.627 68 1HG PRO 11 2HG PRO 11 -6.700 5.752 -6.149 69 2HG PRO 11 1HG PRO 11 -7.698 5.238 -4.780 70 1HD PRO 11 2HD PRO 11 -5.588 6.938 -4.529 71 2HD PRO 11 1HD PRO 11 -6.125 5.850 -3.229 72 H SER 12 H SER 12 -4.743 5.873 -6.850 73 HA SER 12 HA SER 12 -3.641 4.545 -9.180 74 1HB SER 12 2HB SER 12 -3.586 6.901 -10.034 75 2HB SER 12 1HB SER 12 -5.134 6.485 -9.307 76 HG SER 12 HG SER 12 -3.242 8.315 -8.533 77 H ASN 13 H ASN 13 -2.299 6.670 -6.652 78 HA ASN 13 HA ASN 13 0.444 6.317 -7.781 79 1HB ASN 13 2HB ASN 13 -1.021 8.302 -6.099 80 2HB ASN 13 1HB ASN 13 0.695 8.094 -5.750 81 1HD2 ASN 13 1HD2 ASN 13 1.955 9.542 -6.920 82 2HD2 ASN 13 2HD2 ASN 13 1.606 10.102 -8.484 83 H ASP 14 H ASP 14 -0.085 3.954 -6.859 84 HA ASP 14 HA ASP 14 -0.052 3.445 -4.045 85 1HB ASP 14 2HB ASP 14 -0.607 1.911 -6.019 86 2HB ASP 14 1HB ASP 14 1.132 1.716 -6.235 87 H GLN 15 H GLN 15 1.569 4.207 -2.730 88 HA GLN 15 HA GLN 15 4.404 3.987 -3.692 89 1HB GLN 15 2HB GLN 15 3.008 6.200 -2.946 90 2HB GLN 15 1HB GLN 15 3.681 5.720 -1.388 91 1HG GLN 15 2HG GLN 15 5.889 5.433 -2.899 92 2HG GLN 15 1HG GLN 15 5.073 6.681 -3.840 93 1HE2 GLN 15 1HE2 GLN 15 5.279 8.812 -3.077 94 2HE2 GLN 15 2HE2 GLN 15 5.849 9.226 -1.532 95 H CYS 16 H CYS 16 2.839 1.812 -2.400 96 HA CYS 16 HA CYS 16 3.654 1.631 0.396 97 1HB CYS 16 2HB CYS 16 2.539 -0.305 -1.655 98 2HB CYS 16 1HB CYS 16 2.846 -0.764 0.019 99 H CYS 17 H CYS 17 5.284 0.205 1.236 100 HA CYS 17 HA CYS 17 7.728 0.066 -0.306 101 1HB CYS 17 2HB CYS 17 6.744 -0.445 2.393 102 2HB CYS 17 1HB CYS 17 7.937 -1.645 1.901 103 H LYS 18 H LYS 18 8.562 -1.632 -1.490 104 HA LYS 18 HA LYS 18 6.802 -3.962 -1.997 105 1HB LYS 18 2HB LYS 18 9.186 -2.646 -3.258 106 2HB LYS 18 1HB LYS 18 8.806 -4.313 -3.692 107 1HG LYS 18 2HG LYS 18 6.346 -2.917 -3.724 108 2HG LYS 18 1HG LYS 18 7.507 -1.883 -4.557 109 1HD LYS 18 2HD LYS 18 8.162 -3.779 -5.999 110 2HD LYS 18 1HD LYS 18 6.996 -4.810 -5.171 111 1HE LYS 18 2HE LYS 18 5.965 -2.236 -6.291 112 2HE LYS 18 1HE LYS 18 6.351 -3.531 -7.440 113 1HZ LYS 18 1HZ LYS 18 4.080 -3.742 -6.594 114 2HZ LYS 18 2HZ LYS 18 4.670 -3.840 -5.003 115 3HZ LYS 18 3HZ LYS 18 5.033 -5.064 -6.126 116 H SER 19 H SER 19 8.716 -3.532 0.513 117 HA SER 19 HA SER 19 10.677 -5.663 0.353 118 1HB SER 19 2HB SER 19 10.541 -3.614 1.916 119 2HB SER 19 1HB SER 19 9.366 -4.543 2.843 120 HG SER 19 HG SER 19 11.688 -4.714 3.436 121 H SER 20 H SER 20 7.353 -5.430 1.632 122 HA SER 20 HA SER 20 7.316 -8.422 1.899 123 1HB SER 20 2HB SER 20 6.803 -6.286 3.741 124 2HB SER 20 1HB SER 20 5.288 -7.136 3.457 125 HG SER 20 HG SER 20 7.717 -8.067 4.513 126 H ASN 21 H ASN 21 6.583 -6.629 -0.455 127 HA ASN 21 HA ASN 21 4.867 -6.436 -2.059 128 1HB ASN 21 2HB ASN 21 5.241 -8.982 -1.509 129 2HB ASN 21 1HB ASN 21 3.643 -8.864 -0.771 130 1HD2 ASN 21 1HD2 ASN 21 5.388 -8.404 -3.863 131 2HD2 ASN 21 2HD2 ASN 21 4.012 -8.546 -4.846 132 H LEU 22 H LEU 22 4.111 -4.491 -0.736 133 HA LEU 22 HA LEU 22 1.510 -5.014 0.657 134 1HB LEU 22 2HB LEU 22 3.627 -2.862 0.808 135 2HB LEU 22 1HB LEU 22 2.033 -2.640 1.531 136 HG LEU 22 HG LEU 22 3.368 -5.214 2.151 137 1HD1 LEU 22 1HD1 LEU 22 4.497 -2.538 2.924 138 2HD1 LEU 22 2HD1 LEU 22 5.347 -4.014 2.466 139 3HD1 LEU 22 3HD1 LEU 22 4.597 -3.887 4.057 140 1HD2 LEU 22 1HD2 LEU 22 1.679 -5.114 3.641 141 2HD2 LEU 22 2HD2 LEU 22 1.346 -3.434 3.217 142 3HD2 LEU 22 3HD2 LEU 22 2.543 -3.812 4.457 143 H VAL 23 H VAL 23 -0.353 -4.055 -0.124 144 HA VAL 23 HA VAL 23 -0.098 -2.220 -2.491 145 HB VAL 23 HB VAL 23 -2.155 -3.363 -3.337 146 1HG1 VAL 23 1HG1 VAL 23 -1.041 -5.308 -4.141 147 2HG1 VAL 23 2HG1 VAL 23 -0.024 -5.411 -2.704 148 3HG1 VAL 23 3HG1 VAL 23 0.230 -4.115 -3.873 149 1HG2 VAL 23 1HG2 VAL 23 -1.684 -5.267 -1.016 150 2HG2 VAL 23 2HG2 VAL 23 -2.921 -5.427 -2.262 151 3HG2 VAL 23 3HG2 VAL 23 -3.002 -4.098 -1.107 152 H CYS 24 H CYS 24 -1.870 -0.667 -2.704 153 HA CYS 24 HA CYS 24 -2.939 0.189 -0.083 154 1HB CYS 24 2HB CYS 24 -2.048 1.395 -2.498 155 2HB CYS 24 1HB CYS 24 -3.750 1.816 -2.310 156 H SER 25 H SER 25 -4.969 -0.422 0.545 157 HA SER 25 HA SER 25 -6.784 -1.786 -1.292 158 1HB SER 25 2HB SER 25 -8.003 -2.235 0.676 159 2HB SER 25 1HB SER 25 -6.353 -2.078 1.270 160 HG SER 25 HG SER 25 -6.863 0.127 1.744 161 H ARG 26 H ARG 26 -9.032 -1.037 -1.679 162 HA ARG 26 HA ARG 26 -9.107 1.845 -2.326 163 1HB ARG 26 2HB ARG 26 -11.081 1.199 -3.609 164 2HB ARG 26 1HB ARG 26 -9.797 0.028 -3.901 165 1HG ARG 26 2HG ARG 26 -11.170 -1.618 -3.220 166 2HG ARG 26 1HG ARG 26 -11.240 -0.877 -1.622 167 1HD ARG 26 2HD ARG 26 -13.484 -0.709 -2.117 168 2HD ARG 26 1HD ARG 26 -12.963 0.744 -2.994 169 HE ARG 26 HE ARG 26 -13.390 -1.937 -4.247 170 1HH1 ARG 26 2HH1 ARG 26 -15.271 0.148 -5.037 171 2HH1 ARG 26 1HH1 ARG 26 -14.548 0.840 -6.451 172 1HH2 ARG 26 1HH2 ARG 26 -11.399 -0.485 -5.810 173 2HH2 ARG 26 2HH2 ARG 26 -12.351 0.477 -6.891 174 H ALA 27 H ALA 27 -10.229 -0.200 0.231 175 HA ALA 27 HA ALA 27 -12.489 1.556 0.968 176 1HB ALA 27 1HB ALA 27 -12.696 -0.861 1.194 177 2HB ALA 27 2HB ALA 27 -12.692 -0.146 2.807 178 3HB ALA 27 3HB ALA 27 -11.238 -0.924 2.184 179 H HIS 28 H HIS 28 -9.430 0.476 2.488 180 HA HIS 28 HA HIS 28 -9.603 2.716 4.439 181 1HB HIS 28 2HB HIS 28 -8.343 0.057 4.232 182 2HB HIS 28 1HB HIS 28 -7.315 1.277 4.984 183 HD1 HIS 28 HD1 HIS 28 -8.418 2.599 7.060 184 HD2 HIS 28 HD2 HIS 28 -10.389 -0.880 5.879 185 HE1 HIS 28 HE1 HIS 28 -9.969 1.974 8.961 186 H ARG 29 H ARG 29 -8.053 2.012 1.431 187 HA ARG 29 HA ARG 29 -6.337 3.102 0.234 188 1HB ARG 29 2HB ARG 29 -7.522 5.183 2.073 189 2HB ARG 29 1HB ARG 29 -6.220 5.607 0.962 190 1HG ARG 29 2HG ARG 29 -7.876 4.219 -0.705 191 2HG ARG 29 1HG ARG 29 -9.047 4.954 0.390 192 1HD ARG 29 2HD ARG 29 -7.044 6.918 -0.308 193 2HD ARG 29 1HD ARG 29 -7.731 6.212 -1.783 194 HE ARG 29 HE ARG 29 -10.000 6.723 -0.819 195 1HH1 ARG 29 2HH1 ARG 29 -8.587 9.314 -1.444 196 2HH1 ARG 29 1HH1 ARG 29 -8.832 10.213 0.016 197 1HH2 ARG 29 1HH2 ARG 29 -9.733 7.434 1.895 198 2HH2 ARG 29 2HH2 ARG 29 -9.481 9.147 1.909 199 H TRP 30 H TRP 30 -5.143 1.453 1.947 200 HA TRP 30 HA TRP 30 -2.813 3.002 2.940 201 1HB TRP 30 2HB TRP 30 -3.029 2.225 5.172 202 2HB TRP 30 1HB TRP 30 -4.673 2.666 4.720 203 HD1 TRP 30 HD1 TRP 30 -5.880 0.346 3.339 204 HE1 TRP 30 HE1 TRP 30 -6.084 -2.006 4.371 205 HE3 TRP 30 HE3 TRP 30 -2.239 0.636 6.891 206 HZ2 TRP 30 HZ2 TRP 30 -4.862 -3.558 6.440 207 HZ3 TRP 30 HZ3 TRP 30 -1.775 -1.290 8.381 208 HH2 TRP 30 HH2 TRP 30 -3.082 -3.385 8.160 209 H CYS 31 H CYS 31 -0.972 1.540 3.451 210 HA CYS 31 HA CYS 31 -0.672 -0.565 1.470 211 1HB CYS 31 2HB CYS 31 1.016 0.346 3.824 212 2HB CYS 31 1HB CYS 31 1.568 -0.770 2.576 213 H LYS 32 H LYS 32 -1.366 -2.632 1.729 214 HA LYS 32 HA LYS 32 -1.358 -3.830 4.474 215 1HB LYS 32 2HB LYS 32 -3.554 -4.829 3.937 216 2HB LYS 32 1HB LYS 32 -3.627 -3.072 3.829 217 1HG LYS 32 2HG LYS 32 -4.334 -3.236 1.700 218 2HG LYS 32 1HG LYS 32 -2.831 -4.052 1.269 219 1HD LYS 32 2HD LYS 32 -4.095 -5.874 0.835 220 2HD LYS 32 1HD LYS 32 -4.292 -6.027 2.580 221 1HE LYS 32 2HE LYS 32 -6.530 -5.907 2.005 222 2HE LYS 32 1HE LYS 32 -6.203 -4.164 2.077 223 1HZ LYS 32 1HZ LYS 32 -7.210 -4.823 -0.051 224 2HZ LYS 32 2HZ LYS 32 -5.896 -5.858 -0.351 225 3HZ LYS 32 3HZ LYS 32 -5.656 -4.178 -0.262 226 H TYR 33 H TYR 33 -1.300 -6.245 4.393 227 HA TYR 33 HA TYR 33 0.594 -7.213 2.411 228 1HB TYR 33 2HB TYR 33 -0.231 -7.875 4.978 229 2HB TYR 33 1HB TYR 33 -0.855 -9.209 4.006 230 HD1 TYR 33 HD1 TYR 33 0.631 -10.742 2.859 231 HD2 TYR 33 HD2 TYR 33 2.188 -7.380 5.032 232 HE1 TYR 33 HE1 TYR 33 2.913 -11.700 2.706 233 HE2 TYR 33 HE2 TYR 33 4.469 -8.338 4.880 234 HH TYR 33 HH TYR 33 5.528 -10.259 2.908 235 H GLU 34 H GLU 34 0.128 -9.288 1.166 236 HA GLU 34 HA GLU 34 -1.979 -8.964 -0.709 237 1HB GLU 34 2HB GLU 34 -0.217 -11.260 0.161 238 2HB GLU 34 1HB GLU 34 -1.392 -11.458 -1.140 239 1HG GLU 34 2HG GLU 34 -0.059 -9.038 -1.695 240 2HG GLU 34 1HG GLU 34 1.203 -10.171 -1.212 241 H ILE 35 H ILE 35 -4.135 -9.080 -0.231 242 HA ILE 35 HA ILE 35 -5.135 -10.686 2.022 243 HB ILE 35 HB ILE 35 -5.917 -8.375 1.302 244 1HG1 ILE 35 2HG1 ILE 35 -8.248 -10.269 1.210 245 2HG1 ILE 35 1HG1 ILE 35 -7.236 -10.218 2.654 246 1HG2 ILE 35 1HG2 ILE 35 -7.489 -9.861 -0.810 247 2HG2 ILE 35 2HG2 ILE 35 -5.951 -9.080 -1.174 248 3HG2 ILE 35 3HG2 ILE 35 -7.312 -8.118 -0.602 249 1HD1 ILE 35 1HD1 ILE 35 -8.330 -7.685 1.435 250 2HD1 ILE 35 2HD1 ILE 35 -7.744 -7.953 3.077 251 3HD1 ILE 35 3HD1 ILE 35 -9.287 -8.639 2.567 252 1HN NH2 36 1HN NH2 36 -4.813 -12.957 -1.022 253 2HN NH2 36 2HN NH2 36 -3.795 -11.727 -0.243 Start of MODEL 11 1 1H GLU 1 1H GLU 1 12.202 7.891 0.333 2 2H GLU 1 2H GLU 1 12.581 8.682 1.786 3 3H GLU 1 3H GLU 1 11.078 8.946 1.038 4 HA GLU 1 HA GLU 1 11.969 6.313 2.110 5 1HB GLU 1 2HB GLU 1 10.599 6.864 4.044 6 2HB GLU 1 1HB GLU 1 11.752 8.172 3.794 7 1HG GLU 1 2HG GLU 1 10.048 9.633 3.647 8 2HG GLU 1 1HG GLU 1 9.436 8.768 2.237 9 H CYS 2 H CYS 2 9.752 5.118 2.657 10 HA CYS 2 HA CYS 2 7.688 5.656 0.564 11 1HB CYS 2 2HB CYS 2 7.834 3.250 -0.092 12 2HB CYS 2 1HB CYS 2 9.338 4.117 -0.399 13 H LEU 3 H LEU 3 5.782 4.047 0.918 14 HA LEU 3 HA LEU 3 5.152 4.003 3.823 15 1HB LEU 3 2HB LEU 3 3.524 3.568 1.294 16 2HB LEU 3 1HB LEU 3 2.846 3.559 2.921 17 HG LEU 3 HG LEU 3 4.448 5.901 1.877 18 1HD1 LEU 3 1HD1 LEU 3 2.590 6.856 0.898 19 2HD1 LEU 3 2HD1 LEU 3 1.462 5.986 1.938 20 3HD1 LEU 3 3HD1 LEU 3 2.229 5.159 0.583 21 1HD2 LEU 3 1HD2 LEU 3 4.149 5.815 4.292 22 2HD2 LEU 3 2HD2 LEU 3 2.420 5.522 4.105 23 3HD2 LEU 3 3HD2 LEU 3 3.106 7.080 3.643 24 H GLY 4 H GLY 4 6.084 2.139 4.701 25 1HA GLY 4 2HA GLY 4 6.188 -0.396 3.298 26 2HA GLY 4 1HA GLY 4 6.561 -0.145 5.003 27 H PHE 5 H PHE 5 5.339 -2.302 5.065 28 HA PHE 5 HA PHE 5 2.482 -2.376 4.636 29 1HB PHE 5 2HB PHE 5 3.972 -4.346 4.682 30 2HB PHE 5 1HB PHE 5 4.338 -4.038 6.378 31 HD1 PHE 5 HD1 PHE 5 1.164 -4.085 4.350 32 HD2 PHE 5 HD2 PHE 5 3.296 -5.582 7.768 33 HE1 PHE 5 HE1 PHE 5 -0.829 -5.400 5.020 34 HE2 PHE 5 HE2 PHE 5 1.302 -6.894 8.436 35 HZ PHE 5 HZ PHE 5 -0.760 -6.802 7.063 36 H GLY 6 H GLY 6 1.018 -1.249 5.843 37 1HA GLY 6 2HA GLY 6 -0.011 -1.124 8.137 38 2HA GLY 6 1HA GLY 6 1.614 -0.811 8.746 39 H LYS 7 H LYS 7 2.426 0.986 6.635 40 HA LYS 7 HA LYS 7 1.502 3.490 7.663 41 1HB LYS 7 2HB LYS 7 3.375 2.444 5.757 42 2HB LYS 7 1HB LYS 7 2.493 3.765 4.993 43 1HG LYS 7 2HG LYS 7 3.765 5.228 6.134 44 2HG LYS 7 1HG LYS 7 3.079 4.612 7.635 45 1HD LYS 7 2HD LYS 7 5.354 3.191 6.253 46 2HD LYS 7 1HD LYS 7 5.648 4.515 7.380 47 1HE LYS 7 2HE LYS 7 4.773 3.318 9.214 48 2HE LYS 7 1HE LYS 7 3.877 2.197 8.171 49 1HZ LYS 7 1HZ LYS 7 5.921 1.185 9.015 50 2HZ LYS 7 2HZ LYS 7 6.840 2.424 8.305 51 3HZ LYS 7 3HZ LYS 7 5.966 1.343 7.328 52 H GLY 8 H GLY 8 0.079 5.057 6.711 53 1HA GLY 8 2HA GLY 8 -2.134 3.884 5.158 54 2HA GLY 8 1HA GLY 8 -2.110 5.494 5.876 55 H CYS 9 H CYS 9 -2.766 4.608 3.088 56 HA CYS 9 HA CYS 9 -1.073 6.604 1.680 57 1HB CYS 9 2HB CYS 9 -0.702 4.904 -0.154 58 2HB CYS 9 1HB CYS 9 0.108 4.508 1.359 59 H ASN 10 H ASN 10 -1.990 6.534 -0.810 60 HA ASN 10 HA ASN 10 -4.961 6.814 -0.547 61 1HB ASN 10 2HB ASN 10 -2.779 8.088 -2.184 62 2HB ASN 10 1HB ASN 10 -4.446 8.151 -2.760 63 1HD2 ASN 10 1HD2 ASN 10 -2.308 9.154 -0.083 64 2HD2 ASN 10 2HD2 ASN 10 -3.365 10.328 0.538 65 HA PRO 11 HA PRO 11 -5.437 3.341 -3.251 66 1HB PRO 11 2HB PRO 11 -7.962 3.879 -4.178 67 2HB PRO 11 1HB PRO 11 -7.638 3.230 -2.558 68 1HG PRO 11 2HG PRO 11 -8.224 6.029 -3.392 69 2HG PRO 11 1HG PRO 11 -8.779 5.137 -1.967 70 1HD PRO 11 2HD PRO 11 -6.771 6.959 -1.875 71 2HD PRO 11 1HD PRO 11 -6.853 5.555 -0.788 72 H SER 12 H SER 12 -6.482 6.532 -4.520 73 HA SER 12 HA SER 12 -6.056 5.815 -7.309 74 1HB SER 12 2HB SER 12 -7.606 7.589 -6.364 75 2HB SER 12 1HB SER 12 -6.176 8.552 -5.999 76 HG SER 12 HG SER 12 -7.381 8.757 -8.151 77 H ASN 13 H ASN 13 -4.161 7.442 -4.783 78 HA ASN 13 HA ASN 13 -1.833 7.633 -6.658 79 1HB ASN 13 2HB ASN 13 -2.844 9.158 -4.281 80 2HB ASN 13 1HB ASN 13 -1.104 9.134 -4.571 81 1HD2 ASN 13 1HD2 ASN 13 -0.308 10.546 -6.164 82 2HD2 ASN 13 2HD2 ASN 13 -1.287 11.411 -7.248 83 H ASP 14 H ASP 14 -1.855 5.152 -6.118 84 HA ASP 14 HA ASP 14 -1.188 4.078 -3.592 85 1HB ASP 14 2HB ASP 14 -1.653 3.124 -6.069 86 2HB ASP 14 1HB ASP 14 0.103 2.973 -6.046 87 H GLN 15 H GLN 15 0.548 4.517 -2.311 88 HA GLN 15 HA GLN 15 3.179 5.137 -3.620 89 1HB GLN 15 2HB GLN 15 1.570 6.522 -1.513 90 2HB GLN 15 1HB GLN 15 3.325 6.542 -1.337 91 1HG GLN 15 2HG GLN 15 3.631 7.619 -3.436 92 2HG GLN 15 1HG GLN 15 1.971 7.290 -3.933 93 1HE2 GLN 15 1HE2 GLN 15 0.709 9.150 -3.818 94 2HE2 GLN 15 2HE2 GLN 15 0.874 10.373 -2.654 95 H CYS 16 H CYS 16 2.209 2.527 -2.624 96 HA CYS 16 HA CYS 16 3.376 2.026 0.002 97 1HB CYS 16 2HB CYS 16 2.370 0.321 -2.290 98 2HB CYS 16 1HB CYS 16 2.981 -0.381 -0.793 99 H CYS 17 H CYS 17 5.315 0.760 0.398 100 HA CYS 17 HA CYS 17 7.548 1.408 -1.336 101 1HB CYS 17 2HB CYS 17 7.251 0.914 1.278 102 2HB CYS 17 1HB CYS 17 7.693 -0.715 0.765 103 H LYS 18 H LYS 18 8.299 0.241 -3.050 104 HA LYS 18 HA LYS 18 6.987 -2.192 -3.932 105 1HB LYS 18 2HB LYS 18 9.251 -0.429 -4.799 106 2HB LYS 18 1HB LYS 18 9.094 -2.020 -5.544 107 1HG LYS 18 2HG LYS 18 6.520 -1.201 -5.690 108 2HG LYS 18 1HG LYS 18 7.331 0.362 -5.778 109 1HD LYS 18 2HD LYS 18 7.275 -0.257 -8.026 110 2HD LYS 18 1HD LYS 18 8.864 -0.850 -7.538 111 1HE LYS 18 2HE LYS 18 8.062 -3.104 -7.329 112 2HE LYS 18 1HE LYS 18 6.372 -2.582 -7.468 113 1HZ LYS 18 1HZ LYS 18 6.817 -1.760 -9.680 114 2HZ LYS 18 2HZ LYS 18 7.254 -3.399 -9.593 115 3HZ LYS 18 3HZ LYS 18 8.452 -2.196 -9.558 116 H SER 19 H SER 19 9.895 -1.527 -2.056 117 HA SER 19 HA SER 19 11.355 -3.934 -2.426 118 1HB SER 19 2HB SER 19 10.982 -2.060 -0.074 119 2HB SER 19 1HB SER 19 12.168 -3.362 -0.075 120 HG SER 19 HG SER 19 12.193 -0.945 -1.358 121 H SER 20 H SER 20 8.695 -3.187 -0.156 122 HA SER 20 HA SER 20 8.683 -5.972 0.863 123 1HB SER 20 2HB SER 20 8.439 -3.920 2.297 124 2HB SER 20 1HB SER 20 6.907 -3.593 1.491 125 HG SER 20 HG SER 20 6.536 -4.759 3.380 126 H ASN 21 H ASN 21 7.375 -4.419 -1.819 127 HA ASN 21 HA ASN 21 5.613 -4.918 -3.292 128 1HB ASN 21 2HB ASN 21 6.879 -7.220 -2.494 129 2HB ASN 21 1HB ASN 21 5.201 -7.593 -2.101 130 1HD2 ASN 21 1HD2 ASN 21 7.477 -7.377 -4.686 131 2HD2 ASN 21 2HD2 ASN 21 6.375 -7.567 -5.962 132 H LEU 22 H LEU 22 4.244 -3.356 -2.058 133 HA LEU 22 HA LEU 22 2.002 -4.750 -0.623 134 1HB LEU 22 2HB LEU 22 3.436 -2.143 -0.043 135 2HB LEU 22 1HB LEU 22 1.911 -2.588 0.722 136 HG LEU 22 HG LEU 22 4.209 -4.525 0.781 137 1HD1 LEU 22 1HD1 LEU 22 4.882 -3.486 2.967 138 2HD1 LEU 22 2HD1 LEU 22 3.816 -2.129 2.599 139 3HD1 LEU 22 3HD1 LEU 22 5.212 -2.459 1.573 140 1HD2 LEU 22 1HD2 LEU 22 2.030 -5.284 1.568 141 2HD2 LEU 22 2HD2 LEU 22 1.880 -3.873 2.614 142 3HD2 LEU 22 3HD2 LEU 22 3.102 -5.098 2.956 143 H VAL 23 H VAL 23 -0.057 -3.479 -0.714 144 HA VAL 23 HA VAL 23 -0.249 -1.656 -3.082 145 HB VAL 23 HB VAL 23 -2.394 -2.918 -3.622 146 1HG1 VAL 23 1HG1 VAL 23 -1.232 -4.752 -4.741 147 2HG1 VAL 23 2HG1 VAL 23 0.155 -4.563 -3.667 148 3HG1 VAL 23 3HG1 VAL 23 -0.245 -3.294 -4.825 149 1HG2 VAL 23 1HG2 VAL 23 -1.243 -5.078 -1.841 150 2HG2 VAL 23 2HG2 VAL 23 -2.828 -5.031 -2.613 151 3HG2 VAL 23 3HG2 VAL 23 -2.472 -3.953 -1.264 152 H CYS 24 H CYS 24 -1.710 0.041 -2.792 153 HA CYS 24 HA CYS 24 -2.580 0.616 -0.072 154 1HB CYS 24 2HB CYS 24 -1.785 2.158 -2.043 155 2HB CYS 24 1HB CYS 24 -3.479 2.097 -2.532 156 H SER 25 H SER 25 -4.495 0.010 0.818 157 HA SER 25 HA SER 25 -6.529 -1.398 -0.732 158 1HB SER 25 2HB SER 25 -5.811 -1.813 1.668 159 2HB SER 25 1HB SER 25 -6.636 -0.318 2.102 160 HG SER 25 HG SER 25 -7.742 -2.596 2.044 161 H ARG 26 H ARG 26 -8.689 -0.661 -1.115 162 HA ARG 26 HA ARG 26 -8.948 2.281 -1.384 163 1HB ARG 26 2HB ARG 26 -10.335 -0.179 -2.424 164 2HB ARG 26 1HB ARG 26 -11.121 1.393 -2.561 165 1HG ARG 26 2HG ARG 26 -9.653 2.138 -4.140 166 2HG ARG 26 1HG ARG 26 -8.276 1.342 -3.378 167 1HD ARG 26 2HD ARG 26 -8.612 0.189 -5.456 168 2HD ARG 26 1HD ARG 26 -9.313 -0.874 -4.221 169 HE ARG 26 HE ARG 26 -11.085 1.119 -5.549 170 1HH1 ARG 26 2HH1 ARG 26 -11.905 -1.217 -3.707 171 2HH1 ARG 26 1HH1 ARG 26 -12.558 -2.323 -4.870 172 1HH2 ARG 26 1HH2 ARG 26 -11.147 -0.696 -7.599 173 2HH2 ARG 26 2HH2 ARG 26 -12.126 -2.027 -7.081 174 H ALA 27 H ALA 27 -9.611 0.126 1.074 175 HA ALA 27 HA ALA 27 -12.128 1.531 1.895 176 1HB ALA 27 1HB ALA 27 -10.933 -1.193 2.404 177 2HB ALA 27 2HB ALA 27 -12.510 -0.800 1.717 178 3HB ALA 27 3HB ALA 27 -12.213 -0.557 3.439 179 H HIS 28 H HIS 28 -9.106 0.168 3.236 180 HA HIS 28 HA HIS 28 -9.360 1.879 5.647 181 1HB HIS 28 2HB HIS 28 -7.571 -0.386 4.749 182 2HB HIS 28 1HB HIS 28 -7.242 0.521 6.225 183 HD1 HIS 28 HD1 HIS 28 -9.236 0.519 8.047 184 HD2 HIS 28 HD2 HIS 28 -9.556 -2.318 5.010 185 HE1 HIS 28 HE1 HIS 28 -10.940 -1.183 8.833 186 H ARG 29 H ARG 29 -7.925 2.100 2.553 187 HA ARG 29 HA ARG 29 -6.323 3.556 1.629 188 1HB ARG 29 2HB ARG 29 -7.202 5.013 4.143 189 2HB ARG 29 1HB ARG 29 -6.203 5.755 2.896 190 1HG ARG 29 2HG ARG 29 -7.917 5.744 1.320 191 2HG ARG 29 1HG ARG 29 -8.765 4.409 2.101 192 1HD ARG 29 2HD ARG 29 -8.469 6.986 3.618 193 2HD ARG 29 1HD ARG 29 -9.701 6.877 2.344 194 HE ARG 29 HE ARG 29 -9.557 4.702 4.378 195 1HH1 ARG 29 2HH1 ARG 29 -11.822 4.707 2.513 196 2HH1 ARG 29 1HH1 ARG 29 -13.067 5.524 3.398 197 1HH2 ARG 29 1HH2 ARG 29 -10.872 6.926 5.700 198 2HH2 ARG 29 2HH2 ARG 29 -12.527 6.785 5.208 199 H TRP 30 H TRP 30 -4.983 1.500 2.682 200 HA TRP 30 HA TRP 30 -2.570 2.760 3.858 201 1HB TRP 30 2HB TRP 30 -2.568 1.401 5.808 202 2HB TRP 30 1HB TRP 30 -4.236 1.948 5.661 203 HD1 TRP 30 HD1 TRP 30 -5.663 0.101 3.878 204 HE1 TRP 30 HE1 TRP 30 -5.834 -2.444 4.256 205 HE3 TRP 30 HE3 TRP 30 -1.607 -0.612 6.894 206 HZ2 TRP 30 HZ2 TRP 30 -4.432 -4.507 5.653 207 HZ3 TRP 30 HZ3 TRP 30 -1.046 -2.876 7.730 208 HH2 TRP 30 HH2 TRP 30 -2.452 -4.823 7.114 209 H CYS 31 H CYS 31 -0.717 1.190 3.845 210 HA CYS 31 HA CYS 31 -0.698 -0.346 1.348 211 1HB CYS 31 2HB CYS 31 1.276 0.361 3.522 212 2HB CYS 31 1HB CYS 31 1.711 -0.754 2.226 213 H LYS 32 H LYS 32 -1.440 -2.408 1.299 214 HA LYS 32 HA LYS 32 -0.971 -4.162 3.687 215 1HB LYS 32 2HB LYS 32 -3.168 -5.166 3.181 216 2HB LYS 32 1HB LYS 32 -3.329 -3.432 3.437 217 1HG LYS 32 2HG LYS 32 -4.045 -3.082 1.323 218 2HG LYS 32 1HG LYS 32 -2.767 -4.088 0.644 219 1HD LYS 32 2HD LYS 32 -4.824 -5.181 0.101 220 2HD LYS 32 1HD LYS 32 -4.114 -6.108 1.424 221 1HE LYS 32 2HE LYS 32 -5.678 -5.334 2.984 222 2HE LYS 32 1HE LYS 32 -6.021 -3.863 2.054 223 1HZ LYS 32 1HZ LYS 32 -6.660 -6.625 1.153 224 2HZ LYS 32 2HZ LYS 32 -7.047 -5.183 0.340 225 3HZ LYS 32 3HZ LYS 32 -7.785 -5.549 1.826 226 H TYR 33 H TYR 33 -0.966 -6.530 3.058 227 HA TYR 33 HA TYR 33 0.622 -6.900 0.587 228 1HB TYR 33 2HB TYR 33 0.899 -7.846 3.071 229 2HB TYR 33 1HB TYR 33 -0.156 -9.115 2.447 230 HD1 TYR 33 HD1 TYR 33 3.115 -7.443 2.072 231 HD2 TYR 33 HD2 TYR 33 0.594 -10.648 0.722 232 HE1 TYR 33 HE1 TYR 33 5.047 -8.473 0.909 233 HE2 TYR 33 HE2 TYR 33 2.527 -11.678 -0.441 234 HH TYR 33 HH TYR 33 5.063 -10.302 -1.353 235 H GLU 34 H GLU 34 -0.281 -7.673 -1.278 236 HA GLU 34 HA GLU 34 -3.109 -8.336 -1.440 237 1HB GLU 34 2HB GLU 34 -1.414 -7.279 -3.148 238 2HB GLU 34 1HB GLU 34 -1.045 -8.958 -3.544 239 1HG GLU 34 2HG GLU 34 -2.980 -9.210 -4.680 240 2HG GLU 34 1HG GLU 34 -3.920 -8.491 -3.372 241 H ILE 35 H ILE 35 -3.632 -10.217 -0.327 242 HA ILE 35 HA ILE 35 -3.730 -12.497 0.229 243 HB ILE 35 HB ILE 35 -2.606 -12.712 -2.589 244 1HG1 ILE 35 2HG1 ILE 35 -5.445 -13.158 -2.375 245 2HG1 ILE 35 1HG1 ILE 35 -5.057 -11.594 -1.659 246 1HG2 ILE 35 1HG2 ILE 35 -2.523 -14.894 -1.762 247 2HG2 ILE 35 2HG2 ILE 35 -4.160 -14.838 -2.415 248 3HG2 ILE 35 3HG2 ILE 35 -3.896 -14.644 -0.684 249 1HD1 ILE 35 1HD1 ILE 35 -3.940 -10.870 -3.679 250 2HD1 ILE 35 2HD1 ILE 35 -5.519 -11.508 -4.141 251 3HD1 ILE 35 3HD1 ILE 35 -4.068 -12.481 -4.383 252 1HN NH2 36 1HN NH2 36 -0.955 -13.767 1.612 253 2HN NH2 36 2HN NH2 36 -2.714 -13.560 1.471 Start of MODEL 12 1 1H GLU 1 1H GLU 1 10.880 8.105 -3.806 2 2H GLU 1 2H GLU 1 11.424 9.416 -2.873 3 3H GLU 1 3H GLU 1 9.767 9.234 -3.203 4 HA GLU 1 HA GLU 1 11.421 7.404 -1.531 5 1HB GLU 1 2HB GLU 1 10.834 9.758 -0.726 6 2HB GLU 1 1HB GLU 1 9.144 9.258 -0.782 7 1HG GLU 1 2HG GLU 1 9.478 7.577 0.871 8 2HG GLU 1 1HG GLU 1 11.233 7.682 0.731 9 H CYS 2 H CYS 2 10.456 5.428 -1.150 10 HA CYS 2 HA CYS 2 7.860 4.860 -2.485 11 1HB CYS 2 2HB CYS 2 9.723 3.385 -2.952 12 2HB CYS 2 1HB CYS 2 10.045 3.169 -1.232 13 H LEU 3 H LEU 3 6.097 3.906 -1.329 14 HA LEU 3 HA LEU 3 5.926 4.689 1.521 15 1HB LEU 3 2HB LEU 3 3.948 3.515 -0.466 16 2HB LEU 3 1HB LEU 3 3.527 4.088 1.148 17 HG LEU 3 HG LEU 3 4.950 5.888 -0.812 18 1HD1 LEU 3 1HD1 LEU 3 1.945 5.655 -0.486 19 2HD1 LEU 3 2HD1 LEU 3 2.839 4.969 -1.843 20 3HD1 LEU 3 3HD1 LEU 3 2.816 6.716 -1.594 21 1HD2 LEU 3 1HD2 LEU 3 4.918 6.707 1.444 22 2HD2 LEU 3 2HD2 LEU 3 3.223 6.264 1.649 23 3HD2 LEU 3 3HD2 LEU 3 3.664 7.596 0.580 24 H GLY 4 H GLY 4 6.632 3.203 3.019 25 1HA GLY 4 2HA GLY 4 6.658 0.327 2.363 26 2HA GLY 4 1HA GLY 4 7.331 1.063 3.817 27 H PHE 5 H PHE 5 6.104 -0.916 4.724 28 HA PHE 5 HA PHE 5 3.221 -0.936 4.827 29 1HB PHE 5 2HB PHE 5 4.633 -2.890 5.267 30 2HB PHE 5 1HB PHE 5 5.372 -2.078 6.645 31 HD1 PHE 5 HD1 PHE 5 4.400 -2.225 8.788 32 HD2 PHE 5 HD2 PHE 5 2.076 -3.266 5.328 33 HE1 PHE 5 HE1 PHE 5 2.584 -3.057 10.257 34 HE2 PHE 5 HE2 PHE 5 0.262 -4.099 6.797 35 HZ PHE 5 HZ PHE 5 0.516 -3.995 9.262 36 H GLY 6 H GLY 6 1.830 0.141 6.217 37 1HA GLY 6 2HA GLY 6 1.290 1.188 8.355 38 2HA GLY 6 1HA GLY 6 2.991 1.617 8.535 39 H LYS 7 H LYS 7 3.477 2.724 5.985 40 HA LYS 7 HA LYS 7 2.532 5.412 6.305 41 1HB LYS 7 2HB LYS 7 4.295 3.860 4.625 42 2HB LYS 7 1HB LYS 7 3.341 4.949 3.618 43 1HG LYS 7 2HG LYS 7 4.758 6.597 4.214 44 2HG LYS 7 1HG LYS 7 4.082 6.496 5.839 45 1HD LYS 7 2HD LYS 7 6.255 4.598 4.971 46 2HD LYS 7 1HD LYS 7 6.658 6.215 5.548 47 1HE LYS 7 2HE LYS 7 4.765 4.559 7.190 48 2HE LYS 7 1HE LYS 7 6.500 4.198 7.269 49 1HZ LYS 7 1HZ LYS 7 5.913 5.906 8.878 50 2HZ LYS 7 2HZ LYS 7 5.263 6.879 7.646 51 3HZ LYS 7 3HZ LYS 7 6.930 6.549 7.684 52 H GLY 8 H GLY 8 1.139 6.612 4.775 53 1HA GLY 8 2HA GLY 8 -1.331 5.218 4.193 54 2HA GLY 8 1HA GLY 8 -0.967 6.888 3.760 55 H CYS 9 H CYS 9 -2.321 5.369 1.920 56 HA CYS 9 HA CYS 9 -0.291 5.080 -0.253 57 1HB CYS 9 2HB CYS 9 -1.239 2.909 -0.853 58 2HB CYS 9 1HB CYS 9 -0.765 2.873 0.845 59 H ASN 10 H ASN 10 -1.701 4.527 -2.380 60 HA ASN 10 HA ASN 10 -4.122 6.297 -2.390 61 1HB ASN 10 2HB ASN 10 -1.584 6.341 -3.938 62 2HB ASN 10 1HB ASN 10 -3.054 6.634 -4.868 63 1HD2 ASN 10 1HD2 ASN 10 -4.018 8.695 -4.679 64 2HD2 ASN 10 2HD2 ASN 10 -3.509 9.881 -3.576 65 HA PRO 11 HA PRO 11 -5.778 2.551 -4.178 66 1HB PRO 11 2HB PRO 11 -8.279 3.540 -4.726 67 2HB PRO 11 1HB PRO 11 -7.764 3.050 -3.100 68 1HG PRO 11 2HG PRO 11 -7.935 5.776 -4.286 69 2HG PRO 11 1HG PRO 11 -8.351 5.228 -2.655 70 1HD PRO 11 2HD PRO 11 -6.041 6.534 -3.235 71 2HD PRO 11 1HD PRO 11 -6.184 5.351 -1.916 72 H SER 12 H SER 12 -6.253 5.742 -5.730 73 HA SER 12 HA SER 12 -6.644 4.630 -8.404 74 1HB SER 12 2HB SER 12 -6.530 7.043 -9.017 75 2HB SER 12 1HB SER 12 -7.613 6.768 -7.656 76 HG SER 12 HG SER 12 -6.334 7.921 -6.454 77 H ASN 13 H ASN 13 -3.924 5.983 -6.558 78 HA ASN 13 HA ASN 13 -2.079 5.170 -8.783 79 1HB ASN 13 2HB ASN 13 -2.528 7.682 -8.230 80 2HB ASN 13 1HB ASN 13 -1.556 7.381 -6.790 81 1HD2 ASN 13 1HD2 ASN 13 -1.278 8.492 -9.919 82 2HD2 ASN 13 2HD2 ASN 13 0.345 8.093 -10.213 83 H ASP 14 H ASP 14 -2.185 3.067 -7.438 84 HA ASP 14 HA ASP 14 -1.192 2.864 -4.774 85 1HB ASP 14 2HB ASP 14 -2.327 1.175 -6.453 86 2HB ASP 14 1HB ASP 14 -0.663 0.785 -6.885 87 H GLN 15 H GLN 15 0.816 3.418 -4.044 88 HA GLN 15 HA GLN 15 3.174 2.962 -5.841 89 1HB GLN 15 2HB GLN 15 2.020 5.409 -5.003 90 2HB GLN 15 1HB GLN 15 3.500 5.226 -4.063 91 1HG GLN 15 2HG GLN 15 4.217 4.424 -6.647 92 2HG GLN 15 1HG GLN 15 3.182 5.831 -6.893 93 1HE2 GLN 15 1HE2 GLN 15 3.837 7.876 -5.776 94 2HE2 GLN 15 2HE2 GLN 15 5.459 8.108 -5.335 95 H CYS 16 H CYS 16 2.218 1.208 -3.731 96 HA CYS 16 HA CYS 16 3.805 1.693 -1.314 97 1HB CYS 16 2HB CYS 16 1.546 0.433 -1.663 98 2HB CYS 16 1HB CYS 16 2.558 -0.921 -2.166 99 H CYS 17 H CYS 17 5.500 0.131 -0.606 100 HA CYS 17 HA CYS 17 7.491 -0.328 -2.663 101 1HB CYS 17 2HB CYS 17 7.157 -0.618 0.268 102 2HB CYS 17 1HB CYS 17 8.342 -1.702 -0.460 103 H LYS 18 H LYS 18 8.031 -2.234 -3.703 104 HA LYS 18 HA LYS 18 6.096 -4.469 -3.542 105 1HB LYS 18 2HB LYS 18 8.178 -3.424 -5.392 106 2HB LYS 18 1HB LYS 18 7.907 -5.165 -5.437 107 1HG LYS 18 2HG LYS 18 5.334 -4.244 -5.400 108 2HG LYS 18 1HG LYS 18 6.139 -2.961 -6.305 109 1HD LYS 18 2HD LYS 18 7.091 -5.545 -7.190 110 2HD LYS 18 1HD LYS 18 5.331 -5.482 -7.284 111 1HE LYS 18 2HE LYS 18 5.428 -3.433 -8.618 112 2HE LYS 18 1HE LYS 18 7.194 -3.378 -8.447 113 1HZ LYS 18 1HZ LYS 18 6.538 -4.459 -10.525 114 2HZ LYS 18 2HZ LYS 18 5.651 -5.617 -9.654 115 3HZ LYS 18 3HZ LYS 18 7.342 -5.544 -9.498 116 H SER 19 H SER 19 8.617 -3.780 -1.607 117 HA SER 19 HA SER 19 10.314 -6.103 -1.760 118 1HB SER 19 2HB SER 19 11.411 -4.855 -0.223 119 2HB SER 19 1HB SER 19 10.100 -3.686 -0.314 120 HG SER 19 HG SER 19 10.182 -4.290 1.787 121 H SER 20 H SER 20 7.351 -5.370 0.093 122 HA SER 20 HA SER 20 7.258 -8.245 0.956 123 1HB SER 20 2HB SER 20 7.446 -6.143 2.565 124 2HB SER 20 1HB SER 20 5.714 -6.031 2.269 125 HG SER 20 HG SER 20 7.185 -7.923 3.658 126 H ASN 21 H ASN 21 6.068 -6.501 -1.469 127 HA ASN 21 HA ASN 21 4.094 -6.515 -2.746 128 1HB ASN 21 2HB ASN 21 4.789 -9.050 -2.007 129 2HB ASN 21 1HB ASN 21 3.141 -8.970 -1.379 130 1HD2 ASN 21 1HD2 ASN 21 1.424 -8.253 -3.007 131 2HD2 ASN 21 2HD2 ASN 21 1.656 -8.647 -4.641 132 H LEU 22 H LEU 22 3.491 -4.625 -1.225 133 HA LEU 22 HA LEU 22 1.206 -5.317 0.582 134 1HB LEU 22 2HB LEU 22 3.056 -2.934 0.297 135 2HB LEU 22 1HB LEU 22 1.663 -2.939 1.378 136 HG LEU 22 HG LEU 22 3.581 -5.230 1.547 137 1HD1 LEU 22 1HD1 LEU 22 4.979 -3.145 1.476 138 2HD1 LEU 22 2HD1 LEU 22 5.064 -3.989 3.022 139 3HD1 LEU 22 3HD1 LEU 22 4.072 -2.540 2.862 140 1HD2 LEU 22 1HD2 LEU 22 2.968 -4.916 3.991 141 2HD2 LEU 22 2HD2 LEU 22 1.612 -5.310 2.936 142 3HD2 LEU 22 3HD2 LEU 22 1.856 -3.648 3.475 143 H VAL 23 H VAL 23 -0.819 -4.306 0.273 144 HA VAL 23 HA VAL 23 -1.181 -2.903 -2.357 145 HB VAL 23 HB VAL 23 -3.493 -3.801 -2.222 146 1HG1 VAL 23 1HG1 VAL 23 -1.520 -6.027 -1.677 147 2HG1 VAL 23 2HG1 VAL 23 -1.532 -5.120 -3.188 148 3HG1 VAL 23 3HG1 VAL 23 -2.942 -6.068 -2.718 149 1HG2 VAL 23 1HG2 VAL 23 -4.207 -5.224 -0.439 150 2HG2 VAL 23 2HG2 VAL 23 -3.481 -3.821 0.343 151 3HG2 VAL 23 3HG2 VAL 23 -2.578 -5.332 0.227 152 H CYS 24 H CYS 24 -3.049 -1.285 -2.332 153 HA CYS 24 HA CYS 24 -2.787 0.451 0.050 154 1HB CYS 24 2HB CYS 24 -2.547 1.298 -2.271 155 2HB CYS 24 1HB CYS 24 -4.207 0.808 -2.610 156 H SER 25 H SER 25 -4.339 0.544 1.622 157 HA SER 25 HA SER 25 -6.773 -1.081 1.416 158 1HB SER 25 2HB SER 25 -5.200 -0.611 3.437 159 2HB SER 25 1HB SER 25 -6.080 0.909 3.578 160 HG SER 25 HG SER 25 -7.786 -0.145 4.253 161 H ARG 26 H ARG 26 -8.925 -0.043 2.038 162 HA ARG 26 HA ARG 26 -9.245 2.566 0.598 163 1HB ARG 26 2HB ARG 26 -10.356 0.390 -0.168 164 2HB ARG 26 1HB ARG 26 -11.352 0.502 1.284 165 1HG ARG 26 2HG ARG 26 -11.760 2.976 0.409 166 2HG ARG 26 1HG ARG 26 -11.334 2.257 -1.144 167 1HD ARG 26 2HD ARG 26 -13.685 1.964 -1.034 168 2HD ARG 26 1HD ARG 26 -13.064 0.398 -0.477 169 HE ARG 26 HE ARG 26 -13.263 2.163 1.769 170 1HH1 ARG 26 1HH2 ARG 26 -15.884 2.807 0.544 171 2HH1 ARG 26 2HH2 ARG 26 -16.915 1.563 1.167 172 1HH2 ARG 26 2HH1 ARG 26 -14.287 -0.493 2.139 173 2HH2 ARG 26 1HH1 ARG 26 -16.007 -0.312 2.073 174 H ALA 27 H ALA 27 -10.154 0.811 3.574 175 HA ALA 27 HA ALA 27 -11.752 2.975 4.671 176 1HB ALA 27 1HB ALA 27 -12.009 0.580 5.250 177 2HB ALA 27 2HB ALA 27 -11.686 1.549 6.688 178 3HB ALA 27 3HB ALA 27 -10.397 0.588 5.966 179 H HIS 28 H HIS 28 -8.464 1.760 5.384 180 HA HIS 28 HA HIS 28 -7.912 4.201 7.000 181 1HB HIS 28 2HB HIS 28 -6.825 1.435 6.713 182 2HB HIS 28 1HB HIS 28 -5.701 2.689 7.234 183 HD1 HIS 28 HD1 HIS 28 -7.309 0.249 8.896 184 HD2 HIS 28 HD2 HIS 28 -7.720 4.384 9.229 185 HE1 HIS 28 HE1 HIS 28 -8.283 0.691 11.192 186 H ARG 29 H ARG 29 -7.390 3.011 3.809 187 HA ARG 29 HA ARG 29 -6.031 3.746 2.031 188 1HB ARG 29 2HB ARG 29 -6.519 6.127 3.806 189 2HB ARG 29 1HB ARG 29 -5.477 6.302 2.394 190 1HG ARG 29 2HG ARG 29 -7.462 5.066 1.160 191 2HG ARG 29 1HG ARG 29 -8.407 5.677 2.518 192 1HD ARG 29 2HD ARG 29 -6.584 7.664 1.277 193 2HD ARG 29 1HD ARG 29 -7.941 7.135 0.262 194 HE ARG 29 HE ARG 29 -9.461 7.755 2.141 195 1HH1 ARG 29 2HH1 ARG 29 -7.989 10.252 1.219 196 2HH1 ARG 29 1HH1 ARG 29 -7.510 10.944 2.733 197 1HH2 ARG 29 1HH2 ARG 29 -8.072 8.033 4.545 198 2HH2 ARG 29 2HH2 ARG 29 -7.557 9.686 4.619 199 H TRP 30 H TRP 30 -4.437 2.168 3.325 200 HA TRP 30 HA TRP 30 -1.845 3.597 3.500 201 1HB TRP 30 2HB TRP 30 -1.389 2.817 5.731 202 2HB TRP 30 1HB TRP 30 -2.995 3.539 5.773 203 HD1 TRP 30 HD1 TRP 30 -4.974 1.505 5.065 204 HE1 TRP 30 HE1 TRP 30 -5.222 -0.781 6.234 205 HE3 TRP 30 HE3 TRP 30 -0.330 1.073 7.117 206 HZ2 TRP 30 HZ2 TRP 30 -3.647 -2.557 7.836 207 HZ3 TRP 30 HZ3 TRP 30 0.274 -0.919 8.460 208 HH2 TRP 30 HH2 TRP 30 -1.376 -2.733 8.823 209 H CYS 31 H CYS 31 -0.060 1.823 3.934 210 HA CYS 31 HA CYS 31 -0.408 -0.251 1.887 211 1HB CYS 31 2HB CYS 31 1.778 0.884 3.592 212 2HB CYS 31 1HB CYS 31 2.034 -0.704 2.868 213 H LYS 32 H LYS 32 -1.313 -2.195 2.380 214 HA LYS 32 HA LYS 32 -0.757 -3.409 5.068 215 1HB LYS 32 2HB LYS 32 -3.132 -4.189 5.013 216 2HB LYS 32 1HB LYS 32 -3.007 -2.431 5.007 217 1HG LYS 32 2HG LYS 32 -3.555 -2.275 2.719 218 2HG LYS 32 1HG LYS 32 -3.180 -3.973 2.420 219 1HD LYS 32 2HD LYS 32 -5.117 -4.654 3.774 220 2HD LYS 32 1HD LYS 32 -5.487 -2.961 4.108 221 1HE LYS 32 2HE LYS 32 -5.571 -2.673 1.527 222 2HE LYS 32 1HE LYS 32 -5.697 -4.442 1.482 223 1HZ LYS 32 1HZ LYS 32 -7.429 -2.631 3.084 224 2HZ LYS 32 2HZ LYS 32 -7.543 -4.325 3.033 225 3HZ LYS 32 3HZ LYS 32 -7.888 -3.405 1.648 226 H TYR 33 H TYR 33 -0.994 -5.821 5.037 227 HA TYR 33 HA TYR 33 -0.358 -6.949 2.326 228 1HB TYR 33 2HB TYR 33 1.486 -7.014 3.939 229 2HB TYR 33 1HB TYR 33 0.447 -7.798 5.129 230 HD1 TYR 33 HD1 TYR 33 0.060 -10.151 5.079 231 HD2 TYR 33 HD2 TYR 33 2.019 -8.223 1.777 232 HE1 TYR 33 HE1 TYR 33 0.624 -12.367 4.121 233 HE2 TYR 33 HE2 TYR 33 2.584 -10.440 0.820 234 HH TYR 33 HH TYR 33 2.769 -13.082 2.290 235 H GLU 34 H GLU 34 -1.324 -8.953 1.750 236 HA GLU 34 HA GLU 34 -3.545 -9.919 3.522 237 1HB GLU 34 2HB GLU 34 -3.882 -8.489 1.236 238 2HB GLU 34 1HB GLU 34 -3.810 -10.118 0.563 239 1HG GLU 34 2HG GLU 34 -5.599 -9.398 2.896 240 2HG GLU 34 1HG GLU 34 -6.137 -9.295 1.220 241 H ILE 35 H ILE 35 -3.285 -12.069 3.986 242 HA ILE 35 HA ILE 35 -1.184 -13.658 2.761 243 HB ILE 35 HB ILE 35 -2.003 -13.764 5.138 244 1HG1 ILE 35 2HG1 ILE 35 -2.404 -16.489 3.950 245 2HG1 ILE 35 1HG1 ILE 35 -0.851 -15.686 3.716 246 1HG2 ILE 35 1HG2 ILE 35 -4.466 -13.677 4.399 247 2HG2 ILE 35 2HG2 ILE 35 -4.068 -14.812 5.688 248 3HG2 ILE 35 3HG2 ILE 35 -4.301 -15.395 4.041 249 1HD1 ILE 35 1HD1 ILE 35 -0.276 -15.867 5.919 250 2HD1 ILE 35 2HD1 ILE 35 -1.442 -17.191 5.900 251 3HD1 ILE 35 3HD1 ILE 35 -1.928 -15.596 6.476 252 1HN NH2 36 1HN NH2 36 -4.276 -13.833 0.412 253 2HN NH2 36 2HN NH2 36 -3.565 -12.526 1.383 Start of MODEL 13 1 1H GLU 1 1H GLU 1 10.696 9.075 -0.907 2 2H GLU 1 2H GLU 1 11.342 7.518 -1.120 3 3H GLU 1 3H GLU 1 12.180 8.666 -0.192 4 HA GLU 1 HA GLU 1 11.108 7.094 1.281 5 1HB GLU 1 2HB GLU 1 11.285 9.666 1.609 6 2HB GLU 1 1HB GLU 1 9.549 9.683 1.300 7 1HG GLU 1 2HG GLU 1 10.332 7.604 3.209 8 2HG GLU 1 1HG GLU 1 10.746 9.227 3.763 9 H CYS 2 H CYS 2 9.407 5.680 1.552 10 HA CYS 2 HA CYS 2 6.844 6.238 0.099 11 1HB CYS 2 2HB CYS 2 6.855 3.789 -0.490 12 2HB CYS 2 1HB CYS 2 8.167 4.696 -1.238 13 H LEU 3 H LEU 3 5.089 4.647 0.917 14 HA LEU 3 HA LEU 3 5.116 4.703 3.880 15 1HB LEU 3 2HB LEU 3 3.014 4.030 1.793 16 2HB LEU 3 1HB LEU 3 2.702 4.132 3.525 17 HG LEU 3 HG LEU 3 4.054 6.464 2.240 18 1HD1 LEU 3 1HD1 LEU 3 1.860 7.389 1.545 19 2HD1 LEU 3 2HD1 LEU 3 1.096 5.852 1.950 20 3HD1 LEU 3 3HD1 LEU 3 2.269 5.934 0.636 21 1HD2 LEU 3 1HD2 LEU 3 2.098 7.430 3.844 22 2HD2 LEU 3 2HD2 LEU 3 3.681 6.950 4.457 23 3HD2 LEU 3 3HD2 LEU 3 2.315 5.841 4.577 24 H GLY 4 H GLY 4 5.671 2.887 5.031 25 1HA GLY 4 2HA GLY 4 6.056 0.324 3.671 26 2HA GLY 4 1HA GLY 4 6.353 0.645 5.379 27 H PHE 5 H PHE 5 5.238 -1.437 5.769 28 HA PHE 5 HA PHE 5 2.423 -1.769 5.101 29 1HB PHE 5 2HB PHE 5 3.926 -3.663 5.423 30 2HB PHE 5 1HB PHE 5 4.308 -3.128 7.058 31 HD1 PHE 5 HD1 PHE 5 1.244 -3.852 4.989 32 HD2 PHE 5 HD2 PHE 5 3.209 -4.215 8.794 33 HE1 PHE 5 HE1 PHE 5 -0.691 -5.130 5.868 34 HE2 PHE 5 HE2 PHE 5 1.271 -5.492 9.671 35 HZ PHE 5 HZ PHE 5 -0.677 -5.949 8.206 36 H GLY 6 H GLY 6 0.630 -1.287 6.378 37 1HA GLY 6 2HA GLY 6 -0.591 -0.586 8.282 38 2HA GLY 6 1HA GLY 6 0.917 -0.545 9.197 39 H LYS 7 H LYS 7 0.046 1.126 6.162 40 HA LYS 7 HA LYS 7 0.168 3.747 7.578 41 1HB LYS 7 2HB LYS 7 2.155 2.550 5.762 42 2HB LYS 7 1HB LYS 7 1.662 4.178 5.294 43 1HG LYS 7 2HG LYS 7 2.174 5.004 7.550 44 2HG LYS 7 1HG LYS 7 2.628 3.376 8.055 45 1HD LYS 7 2HD LYS 7 4.568 3.369 6.754 46 2HD LYS 7 1HD LYS 7 3.963 4.618 5.665 47 1HE LYS 7 2HE LYS 7 5.313 6.001 6.903 48 2HE LYS 7 1HE LYS 7 3.979 5.957 8.073 49 1HZ LYS 7 1HZ LYS 7 6.058 5.282 9.117 50 2HZ LYS 7 2HZ LYS 7 6.257 4.045 7.969 51 3HZ LYS 7 3HZ LYS 7 4.967 3.985 9.073 52 H GLY 8 H GLY 8 -1.355 5.142 6.738 53 1HA GLY 8 2HA GLY 8 -3.302 4.306 4.863 54 2HA GLY 8 1HA GLY 8 -3.040 5.981 5.338 55 H CYS 9 H CYS 9 -3.425 4.387 2.664 56 HA CYS 9 HA CYS 9 -1.434 5.999 1.129 57 1HB CYS 9 2HB CYS 9 -0.561 3.696 1.514 58 2HB CYS 9 1HB CYS 9 -2.015 3.039 0.763 59 H ASN 10 H ASN 10 -2.146 6.418 -1.080 60 HA ASN 10 HA ASN 10 -5.102 6.290 -1.400 61 1HB ASN 10 2HB ASN 10 -2.847 7.792 -2.759 62 2HB ASN 10 1HB ASN 10 -4.525 7.901 -3.290 63 1HD2 ASN 10 1HD2 ASN 10 -2.237 9.213 -1.099 64 2HD2 ASN 10 2HD2 ASN 10 -3.325 10.074 -0.120 65 HA PRO 11 HA PRO 11 -4.702 2.999 -4.356 66 1HB PRO 11 2HB PRO 11 -7.175 3.213 -5.511 67 2HB PRO 11 1HB PRO 11 -6.913 2.496 -3.908 68 1HG PRO 11 2HG PRO 11 -7.868 5.223 -4.627 69 2HG PRO 11 1HG PRO 11 -8.399 4.149 -3.323 70 1HD PRO 11 2HD PRO 11 -6.727 6.263 -2.937 71 2HD PRO 11 1HD PRO 11 -6.711 4.805 -1.919 72 H SER 12 H SER 12 -5.860 6.221 -5.378 73 HA SER 12 HA SER 12 -5.498 5.880 -8.209 74 1HB SER 12 2HB SER 12 -5.536 8.238 -6.313 75 2HB SER 12 1HB SER 12 -5.377 8.449 -8.055 76 HG SER 12 HG SER 12 -7.571 8.497 -7.250 77 H ASN 13 H ASN 13 -3.324 7.141 -5.657 78 HA ASN 13 HA ASN 13 -1.054 6.958 -7.610 79 1HB ASN 13 2HB ASN 13 -1.848 9.228 -6.638 80 2HB ASN 13 1HB ASN 13 -1.154 8.667 -5.115 81 1HD2 ASN 13 1HD2 ASN 13 -0.363 9.716 -8.404 82 2HD2 ASN 13 2HD2 ASN 13 1.315 9.808 -8.161 83 H ASP 14 H ASP 14 -1.162 4.609 -6.816 84 HA ASP 14 HA ASP 14 -0.570 3.843 -4.129 85 1HB ASP 14 2HB ASP 14 -0.665 2.694 -6.824 86 2HB ASP 14 1HB ASP 14 0.553 1.925 -5.807 87 H GLN 15 H GLN 15 1.164 4.935 -3.171 88 HA GLN 15 HA GLN 15 3.835 4.688 -4.521 89 1HB GLN 15 2HB GLN 15 2.557 6.964 -3.986 90 2HB GLN 15 1HB GLN 15 3.226 6.696 -2.377 91 1HG GLN 15 2HG GLN 15 5.346 7.152 -3.051 92 2HG GLN 15 1HG GLN 15 5.153 6.267 -4.563 93 1HE2 GLN 15 1HE2 GLN 15 4.404 9.407 -3.002 94 2HE2 GLN 15 2HE2 GLN 15 4.262 10.272 -4.455 95 H CYS 16 H CYS 16 2.718 2.579 -2.902 96 HA CYS 16 HA CYS 16 3.744 2.749 -0.175 97 1HB CYS 16 2HB CYS 16 1.814 1.340 -1.305 98 2HB CYS 16 1HB CYS 16 3.115 0.197 -1.642 99 H CYS 17 H CYS 17 5.417 1.121 0.597 100 HA CYS 17 HA CYS 17 7.848 1.334 -0.994 101 1HB CYS 17 2HB CYS 17 7.126 -0.152 1.555 102 2HB CYS 17 1HB CYS 17 8.771 0.041 0.950 103 H LYS 18 H LYS 18 8.373 -0.051 -2.633 104 HA LYS 18 HA LYS 18 6.914 -2.549 -3.055 105 1HB LYS 18 2HB LYS 18 7.822 -0.862 -4.770 106 2HB LYS 18 1HB LYS 18 9.402 -1.591 -4.479 107 1HG LYS 18 2HG LYS 18 8.891 -3.405 -5.720 108 2HG LYS 18 1HG LYS 18 7.347 -3.616 -4.892 109 1HD LYS 18 2HD LYS 18 7.174 -1.284 -6.553 110 2HD LYS 18 1HD LYS 18 7.798 -2.619 -7.524 111 1HE LYS 18 2HE LYS 18 5.733 -3.751 -5.966 112 2HE LYS 18 1HE LYS 18 5.097 -2.203 -6.555 113 1HZ LYS 18 1HZ LYS 18 5.853 -2.769 -8.779 114 2HZ LYS 18 2HZ LYS 18 4.789 -3.959 -8.201 115 3HZ LYS 18 3HZ LYS 18 6.462 -4.254 -8.223 116 H SER 19 H SER 19 9.540 -1.811 -1.059 117 HA SER 19 HA SER 19 11.323 -4.006 -1.486 118 1HB SER 19 2HB SER 19 11.966 -3.476 0.887 119 2HB SER 19 1HB SER 19 11.879 -2.051 -0.144 120 HG SER 19 HG SER 19 10.712 -1.496 1.602 121 H SER 20 H SER 20 8.353 -3.705 0.469 122 HA SER 20 HA SER 20 8.538 -6.618 1.145 123 1HB SER 20 2HB SER 20 8.350 -4.606 2.844 124 2HB SER 20 1HB SER 20 6.646 -4.644 2.401 125 HG SER 20 HG SER 20 6.449 -6.605 3.275 126 H ASN 21 H ASN 21 7.370 -5.106 -1.369 127 HA ASN 21 HA ASN 21 5.501 -5.322 -2.790 128 1HB ASN 21 2HB ASN 21 5.544 -7.907 -1.207 129 2HB ASN 21 1HB ASN 21 4.498 -7.661 -2.603 130 1HD2 ASN 21 1HD2 ASN 21 7.562 -8.788 -1.710 131 2HD2 ASN 21 2HD2 ASN 21 8.321 -8.682 -3.225 132 H LEU 22 H LEU 22 4.596 -3.519 -1.223 133 HA LEU 22 HA LEU 22 2.166 -4.535 0.214 134 1HB LEU 22 2HB LEU 22 3.818 -2.001 0.433 135 2HB LEU 22 1HB LEU 22 2.330 -2.279 1.339 136 HG LEU 22 HG LEU 22 4.578 -4.287 1.429 137 1HD1 LEU 22 1HD1 LEU 22 4.258 -1.791 3.121 138 2HD1 LEU 22 2HD1 LEU 22 5.602 -2.164 2.043 139 3HD1 LEU 22 3HD1 LEU 22 5.352 -3.121 3.503 140 1HD2 LEU 22 1HD2 LEU 22 2.287 -4.824 2.318 141 2HD2 LEU 22 2HD2 LEU 22 2.461 -3.485 3.454 142 3HD2 LEU 22 3HD2 LEU 22 3.544 -4.874 3.553 143 H VAL 23 H VAL 23 0.136 -3.727 -0.377 144 HA VAL 23 HA VAL 23 0.077 -1.853 -2.725 145 HB VAL 23 HB VAL 23 -2.026 -3.092 -3.325 146 1HG1 VAL 23 1HG1 VAL 23 -0.897 -4.989 -4.254 147 2HG1 VAL 23 2HG1 VAL 23 0.322 -4.971 -2.979 148 3HG1 VAL 23 3HG1 VAL 23 0.291 -3.686 -4.187 149 1HG2 VAL 23 1HG2 VAL 23 -2.858 -4.831 -2.066 150 2HG2 VAL 23 2HG2 VAL 23 -2.091 -3.926 -0.761 151 3HG2 VAL 23 3HG2 VAL 23 -1.265 -5.308 -1.480 152 H CYS 24 H CYS 24 -1.547 -0.228 -2.709 153 HA CYS 24 HA CYS 24 -2.525 0.547 -0.032 154 1HB CYS 24 2HB CYS 24 -2.852 1.887 -2.737 155 2HB CYS 24 1HB CYS 24 -3.022 2.648 -1.156 156 H SER 25 H SER 25 -4.480 -0.219 0.648 157 HA SER 25 HA SER 25 -6.438 -1.372 -1.193 158 1HB SER 25 2HB SER 25 -6.045 -1.000 1.743 159 2HB SER 25 1HB SER 25 -7.686 -1.303 1.184 160 HG SER 25 HG SER 25 -7.065 -3.308 1.128 161 H ARG 26 H ARG 26 -8.768 -0.661 -1.092 162 HA ARG 26 HA ARG 26 -8.962 2.329 -1.162 163 1HB ARG 26 2HB ARG 26 -9.463 0.563 -3.100 164 2HB ARG 26 1HB ARG 26 -11.025 0.471 -2.288 165 1HG ARG 26 2HG ARG 26 -10.683 3.166 -2.363 166 2HG ARG 26 1HG ARG 26 -9.830 2.699 -3.834 167 1HD ARG 26 2HD ARG 26 -12.557 1.547 -3.259 168 2HD ARG 26 1HD ARG 26 -12.401 3.154 -3.996 169 HE ARG 26 HE ARG 26 -10.670 1.231 -5.303 170 1HH1 ARG 26 1HH2 ARG 26 -12.043 3.263 -6.891 171 2HH1 ARG 26 2HH2 ARG 26 -13.318 2.383 -7.665 172 1HH2 ARG 26 1HH1 ARG 26 -13.121 -0.324 -5.494 173 2HH2 ARG 26 2HH1 ARG 26 -13.930 0.345 -6.871 174 H ALA 27 H ALA 27 -10.285 -0.565 0.365 175 HA ALA 27 HA ALA 27 -12.672 0.661 1.456 176 1HB ALA 27 1HB ALA 27 -11.048 -1.747 2.338 177 2HB ALA 27 2HB ALA 27 -12.321 -1.773 1.117 178 3HB ALA 27 3HB ALA 27 -12.717 -1.411 2.797 179 H HIS 28 H HIS 28 -9.432 -0.024 2.782 180 HA HIS 28 HA HIS 28 -10.074 1.697 5.147 181 1HB HIS 28 2HB HIS 28 -8.146 -0.560 4.591 182 2HB HIS 28 1HB HIS 28 -7.955 0.478 6.003 183 HD1 HIS 28 HD1 HIS 28 -10.601 0.817 7.187 184 HD2 HIS 28 HD2 HIS 28 -9.579 -2.787 5.356 185 HE1 HIS 28 HE1 HIS 28 -12.178 -0.933 8.118 186 H ARG 29 H ARG 29 -8.485 1.865 2.169 187 HA ARG 29 HA ARG 29 -6.841 3.302 1.282 188 1HB ARG 29 2HB ARG 29 -8.476 4.676 3.288 189 2HB ARG 29 1HB ARG 29 -6.903 5.442 3.075 190 1HG ARG 29 2HG ARG 29 -8.170 6.493 1.417 191 2HG ARG 29 1HG ARG 29 -7.420 5.177 0.515 192 1HD ARG 29 2HD ARG 29 -9.407 4.054 0.244 193 2HD ARG 29 1HD ARG 29 -10.017 4.544 1.836 194 HE ARG 29 HE ARG 29 -10.245 6.108 -0.653 195 1HH1 ARG 29 1HH1 ARG 29 -12.317 5.638 1.603 196 2HH1 ARG 29 2HH1 ARG 29 -12.415 7.233 2.272 197 1HH2 ARG 29 1HH2 ARG 29 -9.519 8.353 0.718 198 2HH2 ARG 29 2HH2 ARG 29 -10.830 8.770 1.770 199 H TRP 30 H TRP 30 -5.458 1.376 2.503 200 HA TRP 30 HA TRP 30 -3.226 2.821 3.814 201 1HB TRP 30 2HB TRP 30 -3.278 1.492 5.797 202 2HB TRP 30 1HB TRP 30 -4.939 2.010 5.533 203 HD1 TRP 30 HD1 TRP 30 -6.259 0.104 3.764 204 HE1 TRP 30 HE1 TRP 30 -6.413 -2.437 4.190 205 HE3 TRP 30 HE3 TRP 30 -2.331 -0.480 6.961 206 HZ2 TRP 30 HZ2 TRP 30 -5.038 -4.451 5.695 207 HZ3 TRP 30 HZ3 TRP 30 -1.771 -2.712 7.876 208 HH2 TRP 30 HH2 TRP 30 -3.117 -4.698 7.249 209 H CYS 31 H CYS 31 -1.352 1.203 4.198 210 HA CYS 31 HA CYS 31 -1.010 -0.404 1.730 211 1HB CYS 31 2HB CYS 31 0.679 0.913 3.801 212 2HB CYS 31 1HB CYS 31 1.361 -0.516 3.024 213 H LYS 32 H LYS 32 -1.170 -2.606 1.754 214 HA LYS 32 HA LYS 32 -0.819 -4.053 4.354 215 1HB LYS 32 2HB LYS 32 -2.819 -5.407 3.700 216 2HB LYS 32 1HB LYS 32 -3.200 -3.703 3.936 217 1HG LYS 32 2HG LYS 32 -3.694 -3.370 1.735 218 2HG LYS 32 1HG LYS 32 -2.401 -4.431 1.181 219 1HD LYS 32 2HD LYS 32 -4.567 -5.420 0.625 220 2HD LYS 32 1HD LYS 32 -3.764 -6.401 1.852 221 1HE LYS 32 2HE LYS 32 -5.197 -5.657 3.570 222 2HE LYS 32 1HE LYS 32 -5.692 -4.217 2.658 223 1HZ LYS 32 1HZ LYS 32 -6.732 -5.650 1.015 224 2HZ LYS 32 2HZ LYS 32 -7.392 -5.945 2.551 225 3HZ LYS 32 3HZ LYS 32 -6.267 -7.031 1.884 226 H TYR 33 H TYR 33 -0.031 -6.231 4.116 227 HA TYR 33 HA TYR 33 1.514 -6.694 1.652 228 1HB TYR 33 2HB TYR 33 2.432 -7.099 3.915 229 2HB TYR 33 1HB TYR 33 1.178 -8.304 4.207 230 HD1 TYR 33 HD1 TYR 33 3.684 -7.480 1.528 231 HD2 TYR 33 HD2 TYR 33 1.793 -10.529 3.891 232 HE1 TYR 33 HE1 TYR 33 5.069 -9.205 0.409 233 HE2 TYR 33 HE2 TYR 33 3.181 -12.255 2.773 234 HH TYR 33 HH TYR 33 4.479 -12.149 0.152 235 H GLU 34 H GLU 34 1.132 -8.344 0.167 236 HA GLU 34 HA GLU 34 -1.369 -9.965 0.531 237 1HB GLU 34 2HB GLU 34 -1.790 -9.582 -1.863 238 2HB GLU 34 1HB GLU 34 -1.630 -8.041 -1.021 239 1HG GLU 34 2HG GLU 34 0.155 -7.461 -2.272 240 2HG GLU 34 1HG GLU 34 0.961 -8.993 -1.941 241 H ILE 35 H ILE 35 -1.342 -11.938 -0.971 242 HA ILE 35 HA ILE 35 1.391 -13.148 -0.936 243 HB ILE 35 HB ILE 35 -1.417 -14.291 -1.103 244 1HG1 ILE 35 2HG1 ILE 35 0.488 -14.885 1.118 245 2HG1 ILE 35 1HG1 ILE 35 -0.220 -13.270 1.084 246 1HG2 ILE 35 1HG2 ILE 35 0.046 -16.436 -0.517 247 2HG2 ILE 35 2HG2 ILE 35 1.294 -15.535 -1.377 248 3HG2 ILE 35 3HG2 ILE 35 -0.214 -15.948 -2.193 249 1HD1 ILE 35 1HD1 ILE 35 -1.792 -15.862 0.990 250 2HD1 ILE 35 2HD1 ILE 35 -2.477 -14.237 1.013 251 3HD1 ILE 35 3HD1 ILE 35 -1.598 -14.843 2.416 252 1HN NH2 36 1HN NH2 36 -0.663 -12.699 -4.479 253 2HN NH2 36 2HN NH2 36 -1.056 -11.902 -2.940 Start of MODEL 14 1 1H GLU 1 1H GLU 1 7.344 10.690 2.817 2 2H GLU 1 2H GLU 1 8.552 10.830 4.003 3 3H GLU 1 3H GLU 1 7.123 9.973 4.338 4 HA GLU 1 HA GLU 1 9.203 9.177 2.357 5 1HB GLU 1 2HB GLU 1 8.602 8.627 5.225 6 2HB GLU 1 1HB GLU 1 9.079 7.239 4.247 7 1HG GLU 1 2HG GLU 1 11.215 7.893 4.563 8 2HG GLU 1 1HG GLU 1 10.867 9.247 3.490 9 H CYS 2 H CYS 2 8.757 6.665 1.987 10 HA CYS 2 HA CYS 2 6.150 6.428 0.734 11 1HB CYS 2 2HB CYS 2 6.997 4.187 0.154 12 2HB CYS 2 1HB CYS 2 8.261 5.392 -0.080 13 H LEU 3 H LEU 3 4.598 4.647 1.260 14 HA LEU 3 HA LEU 3 4.171 4.452 4.189 15 1HB LEU 3 2HB LEU 3 2.517 3.664 1.764 16 2HB LEU 3 1HB LEU 3 1.948 3.588 3.431 17 HG LEU 3 HG LEU 3 3.030 6.149 2.251 18 1HD1 LEU 3 1HD1 LEU 3 1.081 5.188 0.911 19 2HD1 LEU 3 2HD1 LEU 3 0.820 6.791 1.596 20 3HD1 LEU 3 3HD1 LEU 3 0.106 5.375 2.368 21 1HD2 LEU 3 1HD2 LEU 3 1.433 7.049 4.046 22 2HD2 LEU 3 2HD2 LEU 3 2.871 6.214 4.634 23 3HD2 LEU 3 3HD2 LEU 3 1.313 5.387 4.625 24 H GLY 4 H GLY 4 4.839 2.652 5.284 25 1HA GLY 4 2HA GLY 4 5.679 0.259 3.769 26 2HA GLY 4 1HA GLY 4 5.967 0.554 5.483 27 H PHE 5 H PHE 5 5.182 -1.601 5.933 28 HA PHE 5 HA PHE 5 2.448 -2.394 5.261 29 1HB PHE 5 2HB PHE 5 4.733 -3.686 5.867 30 2HB PHE 5 1HB PHE 5 4.019 -3.645 7.476 31 HD1 PHE 5 HD1 PHE 5 1.081 -3.783 6.656 32 HD2 PHE 5 HD2 PHE 5 4.529 -5.998 5.357 33 HE1 PHE 5 HE1 PHE 5 -0.371 -5.699 6.054 34 HE2 PHE 5 HE2 PHE 5 3.073 -7.908 4.754 35 HZ PHE 5 HZ PHE 5 0.624 -7.760 5.102 36 H GLY 6 H GLY 6 0.648 -1.733 6.385 37 1HA GLY 6 2HA GLY 6 -0.484 -1.652 8.599 38 2HA GLY 6 1HA GLY 6 0.993 -0.951 9.254 39 H LYS 7 H LYS 7 1.498 0.931 7.144 40 HA LYS 7 HA LYS 7 -0.114 3.139 8.011 41 1HB LYS 7 2HB LYS 7 1.850 2.607 5.787 42 2HB LYS 7 1HB LYS 7 1.017 4.160 5.885 43 1HG LYS 7 2HG LYS 7 1.786 4.299 8.300 44 2HG LYS 7 1HG LYS 7 2.811 2.902 7.974 45 1HD LYS 7 2HD LYS 7 3.659 4.321 5.945 46 2HD LYS 7 1HD LYS 7 2.995 5.684 6.846 47 1HE LYS 7 2HE LYS 7 4.381 5.092 8.801 48 2HE LYS 7 1HE LYS 7 5.043 3.705 7.914 49 1HZ LYS 7 1HZ LYS 7 6.472 5.667 7.704 50 2HZ LYS 7 2HZ LYS 7 5.184 6.540 7.022 51 3HZ LYS 7 3HZ LYS 7 5.838 5.202 6.202 52 H GLY 8 H GLY 8 -1.947 4.070 7.122 53 1HA GLY 8 2HA GLY 8 -3.505 2.479 5.226 54 2HA GLY 8 1HA GLY 8 -4.027 3.972 6.001 55 H CYS 9 H CYS 9 -4.019 3.056 3.099 56 HA CYS 9 HA CYS 9 -2.877 5.575 1.988 57 1HB CYS 9 2HB CYS 9 -1.848 4.163 0.150 58 2HB CYS 9 1HB CYS 9 -1.115 3.929 1.735 59 H ASN 10 H ASN 10 -3.478 5.504 -0.554 60 HA ASN 10 HA ASN 10 -6.351 4.648 -0.734 61 1HB ASN 10 2HB ASN 10 -4.808 7.089 -1.547 62 2HB ASN 10 1HB ASN 10 -6.215 6.633 -2.506 63 1HD2 ASN 10 1HD2 ASN 10 -6.276 9.035 -1.011 64 2HD2 ASN 10 2HD2 ASN 10 -7.368 8.864 0.277 65 HA PRO 11 HA PRO 11 -5.153 2.181 -4.188 66 1HB PRO 11 2HB PRO 11 -7.523 2.120 -5.563 67 2HB PRO 11 1HB PRO 11 -7.239 1.199 -4.072 68 1HG PRO 11 2HG PRO 11 -8.669 3.785 -4.454 69 2HG PRO 11 1HG PRO 11 -9.079 2.414 -3.411 70 1HD PRO 11 2HD PRO 11 -7.911 4.683 -2.482 71 2HD PRO 11 1HD PRO 11 -7.653 3.087 -1.741 72 H SER 12 H SER 12 -7.000 5.161 -4.932 73 HA SER 12 HA SER 12 -6.062 5.378 -7.671 74 1HB SER 12 2HB SER 12 -7.353 7.228 -5.657 75 2HB SER 12 1HB SER 12 -6.940 7.772 -7.280 76 HG SER 12 HG SER 12 -8.990 7.007 -7.422 77 H ASN 13 H ASN 13 -5.090 6.914 -4.587 78 HA ASN 13 HA ASN 13 -2.653 8.009 -5.935 79 1HB ASN 13 2HB ASN 13 -4.470 9.309 -4.488 80 2HB ASN 13 1HB ASN 13 -3.522 8.684 -3.138 81 1HD2 ASN 13 1HD2 ASN 13 -3.531 10.997 -5.779 82 2HD2 ASN 13 2HD2 ASN 13 -2.021 11.691 -5.432 83 H ASP 14 H ASP 14 -2.075 5.534 -5.785 84 HA ASP 14 HA ASP 14 -1.386 4.375 -3.236 85 1HB ASP 14 2HB ASP 14 -1.319 3.759 -6.056 86 2HB ASP 14 1HB ASP 14 0.215 3.293 -5.322 87 H GLN 15 H GLN 15 0.205 5.146 -1.923 88 HA GLN 15 HA GLN 15 2.742 6.161 -3.171 89 1HB GLN 15 2HB GLN 15 0.981 7.801 -2.109 90 2HB GLN 15 1HB GLN 15 1.605 7.193 -0.575 91 1HG GLN 15 2HG GLN 15 3.091 8.921 -0.868 92 2HG GLN 15 1HG GLN 15 3.945 7.697 -1.806 93 1HE2 GLN 15 1HE2 GLN 15 4.480 8.343 -3.900 94 2HE2 GLN 15 2HE2 GLN 15 3.675 9.548 -4.783 95 H CYS 16 H CYS 16 2.389 3.468 -2.383 96 HA CYS 16 HA CYS 16 3.497 3.141 0.341 97 1HB CYS 16 2HB CYS 16 2.335 1.448 -1.832 98 2HB CYS 16 1HB CYS 16 3.393 0.663 -0.660 99 H CYS 17 H CYS 17 5.353 1.448 0.480 100 HA CYS 17 HA CYS 17 7.598 2.418 -1.183 101 1HB CYS 17 2HB CYS 17 7.193 1.574 1.463 102 2HB CYS 17 1HB CYS 17 8.156 0.291 0.733 103 H LYS 18 H LYS 18 8.439 1.249 -2.876 104 HA LYS 18 HA LYS 18 7.172 -1.288 -3.656 105 1HB LYS 18 2HB LYS 18 9.389 0.419 -4.835 106 2HB LYS 18 1HB LYS 18 8.680 -0.981 -5.639 107 1HG LYS 18 2HG LYS 18 7.032 1.377 -4.687 108 2HG LYS 18 1HG LYS 18 7.699 1.267 -6.315 109 1HD LYS 18 2HD LYS 18 6.259 -0.409 -6.945 110 2HD LYS 18 1HD LYS 18 6.189 -1.102 -5.325 111 1HE LYS 18 2HE LYS 18 4.855 0.977 -4.635 112 2HE LYS 18 1HE LYS 18 4.709 1.327 -6.369 113 1HZ LYS 18 1HZ LYS 18 2.861 -0.042 -5.645 114 2HZ LYS 18 2HZ LYS 18 3.927 -1.210 -5.025 115 3HZ LYS 18 3HZ LYS 18 3.852 -0.927 -6.699 116 H SER 19 H SER 19 10.037 -0.343 -1.915 117 HA SER 19 HA SER 19 11.779 -2.533 -2.511 118 1HB SER 19 2HB SER 19 12.288 -0.375 -1.298 119 2HB SER 19 1HB SER 19 11.439 -1.026 0.101 120 HG SER 19 HG SER 19 13.110 -2.232 0.517 121 H SER 20 H SER 20 9.188 -2.175 -0.074 122 HA SER 20 HA SER 20 9.640 -4.923 0.941 123 1HB SER 20 2HB SER 20 9.059 -2.770 2.261 124 2HB SER 20 1HB SER 20 7.419 -3.011 1.666 125 HG SER 20 HG SER 20 7.230 -4.771 2.867 126 H ASN 21 H ASN 21 8.152 -3.771 -1.773 127 HA ASN 21 HA ASN 21 6.441 -4.559 -3.181 128 1HB ASN 21 2HB ASN 21 7.321 -6.921 -1.525 129 2HB ASN 21 1HB ASN 21 6.035 -7.107 -2.717 130 1HD2 ASN 21 1HD2 ASN 21 9.473 -6.155 -2.368 131 2HD2 ASN 21 2HD2 ASN 21 9.874 -6.428 -3.994 132 H LEU 22 H LEU 22 5.286 -2.986 -1.369 133 HA LEU 22 HA LEU 22 2.995 -4.544 -0.214 134 1HB LEU 22 2HB LEU 22 4.357 -1.946 0.546 135 2HB LEU 22 1HB LEU 22 2.824 -2.456 1.252 136 HG LEU 22 HG LEU 22 5.273 -4.230 1.270 137 1HD1 LEU 22 1HD1 LEU 22 5.644 -3.462 3.585 138 2HD1 LEU 22 2HD1 LEU 22 4.334 -2.296 3.408 139 3HD1 LEU 22 3HD1 LEU 22 5.801 -2.126 2.446 140 1HD2 LEU 22 1HD2 LEU 22 2.716 -4.157 2.905 141 2HD2 LEU 22 2HD2 LEU 22 4.042 -5.295 3.147 142 3HD2 LEU 22 3HD2 LEU 22 3.111 -5.332 1.651 143 H VAL 23 H VAL 23 1.031 -4.161 -1.142 144 HA VAL 23 HA VAL 23 0.742 -1.771 -2.936 145 HB VAL 23 HB VAL 23 -0.962 -3.186 -4.082 146 1HG1 VAL 23 1HG1 VAL 23 1.437 -4.955 -3.847 147 2HG1 VAL 23 2HG1 VAL 23 1.684 -3.296 -4.395 148 3HG1 VAL 23 3HG1 VAL 23 0.609 -4.369 -5.291 149 1HG2 VAL 23 1HG2 VAL 23 -0.029 -5.424 -2.261 150 2HG2 VAL 23 2HG2 VAL 23 -1.344 -5.465 -3.434 151 3HG2 VAL 23 3HG2 VAL 23 -1.505 -4.508 -1.962 152 H CYS 24 H CYS 24 -1.325 -0.643 -2.867 153 HA CYS 24 HA CYS 24 -2.493 -0.534 -0.174 154 1HB CYS 24 2HB CYS 24 -1.936 1.360 -1.892 155 2HB CYS 24 1HB CYS 24 -3.488 0.933 -2.611 156 H SER 25 H SER 25 -4.150 -1.850 0.411 157 HA SER 25 HA SER 25 -5.691 -3.386 -1.547 158 1HB SER 25 2HB SER 25 -4.882 -4.049 0.804 159 2HB SER 25 1HB SER 25 -6.198 -3.052 1.418 160 HG SER 25 HG SER 25 -6.248 -5.479 0.054 161 H ARG 26 H ARG 26 -8.007 -3.230 -1.825 162 HA ARG 26 HA ARG 26 -9.074 -0.470 -1.432 163 1HB ARG 26 2HB ARG 26 -9.905 -2.837 -3.140 164 2HB ARG 26 1HB ARG 26 -10.743 -1.286 -3.129 165 1HG ARG 26 2HG ARG 26 -8.741 -0.141 -3.905 166 2HG ARG 26 1HG ARG 26 -7.803 -1.630 -3.789 167 1HD ARG 26 2HD ARG 26 -10.284 -1.588 -5.497 168 2HD ARG 26 1HD ARG 26 -8.767 -0.924 -6.132 169 HE ARG 26 HE ARG 26 -7.765 -3.109 -5.952 170 1HH1 ARG 26 2HH1 ARG 26 -10.653 -3.704 -6.935 171 2HH1 ARG 26 1HH1 ARG 26 -11.035 -5.079 -5.953 172 1HH2 ARG 26 1HH2 ARG 26 -8.400 -4.570 -3.747 173 2HH2 ARG 26 2HH2 ARG 26 -9.758 -5.570 -4.145 174 H ALA 27 H ALA 27 -9.003 -2.852 0.625 175 HA ALA 27 HA ALA 27 -11.941 -3.051 1.149 176 1HB ALA 27 1HB ALA 27 -10.808 -4.804 2.848 177 2HB ALA 27 2HB ALA 27 -9.513 -4.710 1.653 178 3HB ALA 27 3HB ALA 27 -11.131 -5.214 1.162 179 H HIS 28 H HIS 28 -8.851 -2.552 2.877 180 HA HIS 28 HA HIS 28 -10.353 -1.017 4.974 181 1HB HIS 28 2HB HIS 28 -7.831 -2.698 5.013 182 2HB HIS 28 1HB HIS 28 -8.318 -1.682 6.368 183 HD1 HIS 28 HD1 HIS 28 -8.241 -4.924 6.260 184 HD2 HIS 28 HD2 HIS 28 -11.625 -2.496 6.056 185 HE1 HIS 28 HE1 HIS 28 -10.197 -6.356 6.997 186 H ARG 29 H ARG 29 -8.760 -0.280 2.276 187 HA ARG 29 HA ARG 29 -7.387 1.493 1.546 188 1HB ARG 29 2HB ARG 29 -9.313 2.338 3.464 189 2HB ARG 29 1HB ARG 29 -7.833 3.235 3.801 190 1HG ARG 29 2HG ARG 29 -8.283 4.578 2.055 191 2HG ARG 29 1HG ARG 29 -8.121 3.189 0.979 192 1HD ARG 29 2HD ARG 29 -10.390 2.936 0.756 193 2HD ARG 29 1HD ARG 29 -10.704 3.381 2.444 194 HE ARG 29 HE ARG 29 -10.301 5.294 0.206 195 1HH1 ARG 29 1HH2 ARG 29 -12.721 5.277 2.011 196 2HH1 ARG 29 2HH2 ARG 29 -12.374 6.594 3.081 197 1HH2 ARG 29 2HH1 ARG 29 -9.001 6.721 2.253 198 2HH2 ARG 29 1HH1 ARG 29 -10.260 7.415 3.219 199 H TRP 30 H TRP 30 -5.699 -0.303 2.512 200 HA TRP 30 HA TRP 30 -3.701 1.302 4.003 201 1HB TRP 30 2HB TRP 30 -3.494 -0.292 5.775 202 2HB TRP 30 1HB TRP 30 -5.220 0.006 5.594 203 HD1 TRP 30 HD1 TRP 30 -6.188 -1.836 3.448 204 HE1 TRP 30 HE1 TRP 30 -5.974 -4.400 3.579 205 HE3 TRP 30 HE3 TRP 30 -2.385 -2.220 6.824 206 HZ2 TRP 30 HZ2 TRP 30 -4.392 -6.358 4.944 207 HZ3 TRP 30 HZ3 TRP 30 -1.544 -4.441 7.525 208 HH2 TRP 30 HH2 TRP 30 -2.541 -6.509 6.590 209 H CYS 31 H CYS 31 -1.566 0.064 4.104 210 HA CYS 31 HA CYS 31 -1.087 -1.192 1.461 211 1HB CYS 31 2HB CYS 31 0.206 0.727 2.824 212 2HB CYS 31 1HB CYS 31 1.075 -0.676 3.447 213 H LYS 32 H LYS 32 -0.620 -3.328 1.215 214 HA LYS 32 HA LYS 32 0.286 -4.957 3.525 215 1HB LYS 32 2HB LYS 32 -1.585 -6.533 3.209 216 2HB LYS 32 1HB LYS 32 -2.199 -4.921 3.573 217 1HG LYS 32 2HG LYS 32 -2.785 -4.519 1.295 218 2HG LYS 32 1HG LYS 32 -1.857 -5.910 0.734 219 1HD LYS 32 2HD LYS 32 -3.707 -6.865 2.674 220 2HD LYS 32 1HD LYS 32 -4.603 -5.821 1.571 221 1HE LYS 32 2HE LYS 32 -4.042 -7.130 -0.320 222 2HE LYS 32 1HE LYS 32 -2.694 -7.920 0.520 223 1HZ LYS 32 1HZ LYS 32 -5.565 -8.172 1.267 224 2HZ LYS 32 2HZ LYS 32 -4.260 -8.939 2.042 225 3HZ LYS 32 3HZ LYS 32 -4.665 -9.352 0.445 226 H TYR 33 H TYR 33 0.974 -7.152 2.783 227 HA TYR 33 HA TYR 33 2.405 -7.028 0.244 228 1HB TYR 33 2HB TYR 33 3.005 -8.138 2.531 229 2HB TYR 33 1HB TYR 33 1.994 -9.472 1.973 230 HD1 TYR 33 HD1 TYR 33 2.691 -10.913 0.162 231 HD2 TYR 33 HD2 TYR 33 5.053 -7.505 1.288 232 HE1 TYR 33 HE1 TYR 33 4.568 -11.755 -1.225 233 HE2 TYR 33 HE2 TYR 33 6.929 -8.348 -0.099 234 HH TYR 33 HH TYR 33 7.480 -11.108 -0.958 235 H GLU 34 H GLU 34 2.051 -8.424 -1.587 236 HA GLU 34 HA GLU 34 -0.766 -9.081 -2.101 237 1HB GLU 34 2HB GLU 34 1.843 -9.198 -3.626 238 2HB GLU 34 1HB GLU 34 0.361 -9.865 -4.310 239 1HG GLU 34 2HG GLU 34 -0.749 -7.651 -3.949 240 2HG GLU 34 1HG GLU 34 0.800 -7.003 -3.410 241 H ILE 35 H ILE 35 -1.582 -10.985 -1.315 242 HA ILE 35 HA ILE 35 -0.078 -13.497 -1.791 243 HB ILE 35 HB ILE 35 0.618 -12.562 0.433 244 1HG1 ILE 35 2HG1 ILE 35 -0.618 -14.770 1.625 245 2HG1 ILE 35 1HG1 ILE 35 -0.539 -15.192 -0.085 246 1HG2 ILE 35 1HG2 ILE 35 -0.946 -12.348 2.232 247 2HG2 ILE 35 2HG2 ILE 35 -2.230 -13.118 1.299 248 3HG2 ILE 35 3HG2 ILE 35 -1.665 -11.505 0.861 249 1HD1 ILE 35 1HD1 ILE 35 1.509 -15.894 1.125 250 2HD1 ILE 35 2HD1 ILE 35 1.803 -14.215 1.577 251 3HD1 ILE 35 3HD1 ILE 35 1.866 -14.696 -0.119 252 1HN NH2 36 1HN NH2 36 -3.904 -12.914 -2.208 253 2HN NH2 36 2HN NH2 36 -2.485 -11.862 -2.404 Start of MODEL 15 1 1H GLU 1 1H GLU 1 12.351 7.132 0.052 2 2H GLU 1 2H GLU 1 13.251 7.291 1.484 3 3H GLU 1 3H GLU 1 11.669 7.907 1.398 4 HA GLU 1 HA GLU 1 12.431 5.027 1.292 5 1HB GLU 1 2HB GLU 1 11.497 6.976 3.368 6 2HB GLU 1 1HB GLU 1 10.929 5.309 3.482 7 1HG GLU 1 2HG GLU 1 13.551 4.847 3.027 8 2HG GLU 1 1HG GLU 1 13.670 6.405 3.847 9 H CYS 2 H CYS 2 10.344 3.706 1.670 10 HA CYS 2 HA CYS 2 8.089 4.908 0.089 11 1HB CYS 2 2HB CYS 2 7.688 2.499 -0.577 12 2HB CYS 2 1HB CYS 2 9.224 3.156 -1.135 13 H LEU 3 H LEU 3 5.950 3.682 0.583 14 HA LEU 3 HA LEU 3 5.491 3.789 3.490 15 1HB LEU 3 2HB LEU 3 3.701 3.224 1.098 16 2HB LEU 3 1HB LEU 3 3.124 3.482 2.745 17 HG LEU 3 HG LEU 3 4.899 5.526 1.424 18 1HD1 LEU 3 1HD1 LEU 3 1.877 5.364 1.197 19 2HD1 LEU 3 2HD1 LEU 3 3.013 5.102 -0.126 20 3HD1 LEU 3 3HD1 LEU 3 2.886 6.693 0.626 21 1HD2 LEU 3 1HD2 LEU 3 2.665 5.765 3.464 22 2HD2 LEU 3 2HD2 LEU 3 3.813 7.021 3.005 23 3HD2 LEU 3 3HD2 LEU 3 4.370 5.597 3.883 24 H GLY 4 H GLY 4 6.212 1.959 4.567 25 1HA GLY 4 2HA GLY 4 6.159 -0.690 3.382 26 2HA GLY 4 1HA GLY 4 6.552 -0.318 5.059 27 H PHE 5 H PHE 5 5.197 -2.399 5.246 28 HA PHE 5 HA PHE 5 2.323 -2.268 4.871 29 1HB PHE 5 2HB PHE 5 3.685 -4.340 4.906 30 2HB PHE 5 1HB PHE 5 4.087 -4.042 6.596 31 HD1 PHE 5 HD1 PHE 5 2.607 -4.677 8.341 32 HD2 PHE 5 HD2 PHE 5 1.242 -4.679 4.267 33 HE1 PHE 5 HE1 PHE 5 0.524 -5.826 9.038 34 HE2 PHE 5 HE2 PHE 5 -0.840 -5.829 4.965 35 HZ PHE 5 HZ PHE 5 -1.198 -6.402 7.351 36 H GLY 6 H GLY 6 0.790 -1.464 6.270 37 1HA GLY 6 2HA GLY 6 -0.096 -1.055 8.498 38 2HA GLY 6 1HA GLY 6 1.555 -0.944 9.101 39 H LYS 7 H LYS 7 2.000 0.793 6.479 40 HA LYS 7 HA LYS 7 1.437 3.357 7.850 41 1HB LYS 7 2HB LYS 7 3.045 2.441 5.460 42 2HB LYS 7 1HB LYS 7 2.810 4.154 5.802 43 1HG LYS 7 2HG LYS 7 4.675 3.907 7.086 44 2HG LYS 7 1HG LYS 7 3.545 3.245 8.266 45 1HD LYS 7 2HD LYS 7 4.182 1.059 7.860 46 2HD LYS 7 1HD LYS 7 4.645 1.394 6.192 47 1HE LYS 7 2HE LYS 7 6.786 1.343 6.992 48 2HE LYS 7 1HE LYS 7 6.426 2.962 7.623 49 1HZ LYS 7 1HZ LYS 7 5.923 0.395 9.042 50 2HZ LYS 7 2HZ LYS 7 5.541 1.942 9.636 51 3HZ LYS 7 3HZ LYS 7 7.164 1.495 9.402 52 H GLY 8 H GLY 8 0.201 5.045 6.867 53 1HA GLY 8 2HA GLY 8 -2.091 4.212 5.334 54 2HA GLY 8 1HA GLY 8 -1.657 5.882 5.697 55 H CYS 9 H CYS 9 -2.631 4.826 3.143 56 HA CYS 9 HA CYS 9 -0.440 5.844 1.412 57 1HB CYS 9 2HB CYS 9 0.099 3.568 1.312 58 2HB CYS 9 1HB CYS 9 -1.579 3.062 1.490 59 H ASN 10 H ASN 10 -1.240 6.715 -0.566 60 HA ASN 10 HA ASN 10 -4.118 7.355 -0.600 61 1HB ASN 10 2HB ASN 10 -1.646 8.132 -2.145 62 2HB ASN 10 1HB ASN 10 -3.244 8.598 -2.729 63 1HD2 ASN 10 1HD2 ASN 10 -4.403 10.236 -1.549 64 2HD2 ASN 10 2HD2 ASN 10 -3.712 11.089 -0.256 65 HA PRO 11 HA PRO 11 -5.011 3.896 -3.271 66 1HB PRO 11 2HB PRO 11 -7.542 4.676 -4.002 67 2HB PRO 11 1HB PRO 11 -7.165 3.942 -2.430 68 1HG PRO 11 2HG PRO 11 -7.535 6.819 -3.132 69 2HG PRO 11 1HG PRO 11 -8.112 5.921 -1.718 70 1HD PRO 11 2HD PRO 11 -5.947 7.531 -1.618 71 2HD PRO 11 1HD PRO 11 -6.080 6.054 -0.636 72 H SER 12 H SER 12 -5.697 7.250 -4.329 73 HA SER 12 HA SER 12 -5.679 6.642 -7.171 74 1HB SER 12 2HB SER 12 -6.743 8.622 -6.001 75 2HB SER 12 1HB SER 12 -5.123 9.255 -5.722 76 HG SER 12 HG SER 12 -6.621 9.095 -8.050 77 H ASN 13 H ASN 13 -3.276 7.911 -4.858 78 HA ASN 13 HA ASN 13 -1.132 7.512 -6.919 79 1HB ASN 13 2HB ASN 13 -1.346 9.308 -4.474 80 2HB ASN 13 1HB ASN 13 0.087 9.194 -5.497 81 1HD2 ASN 13 1HD2 ASN 13 -3.061 10.651 -5.205 82 2HD2 ASN 13 2HD2 ASN 13 -3.058 11.450 -6.702 83 H ASP 14 H ASP 14 -1.547 5.145 -6.011 84 HA ASP 14 HA ASP 14 -0.689 4.448 -3.365 85 1HB ASP 14 2HB ASP 14 -0.649 2.177 -4.278 86 2HB ASP 14 1HB ASP 14 -2.046 3.040 -4.918 87 H GLN 15 H GLN 15 1.330 3.947 -2.552 88 HA GLN 15 HA GLN 15 3.672 3.719 -4.342 89 1HB GLN 15 2HB GLN 15 2.885 6.202 -3.571 90 2HB GLN 15 1HB GLN 15 3.914 5.777 -2.203 91 1HG GLN 15 2HG GLN 15 5.692 5.111 -3.892 92 2HG GLN 15 1HG GLN 15 4.678 5.852 -5.131 93 1HE2 GLN 15 1HE2 GLN 15 6.699 6.549 -2.296 94 2HE2 GLN 15 2HE2 GLN 15 6.749 8.229 -2.530 95 H CYS 16 H CYS 16 2.656 1.726 -2.730 96 HA CYS 16 HA CYS 16 3.854 1.718 -0.064 97 1HB CYS 16 2HB CYS 16 2.554 -0.359 -1.851 98 2HB CYS 16 1HB CYS 16 3.081 -0.703 -0.204 99 H CYS 17 H CYS 17 5.501 0.054 0.559 100 HA CYS 17 HA CYS 17 7.839 0.147 -1.117 101 1HB CYS 17 2HB CYS 17 7.054 -1.522 1.294 102 2HB CYS 17 1HB CYS 17 8.686 -1.477 0.628 103 H LYS 18 H LYS 18 8.498 -1.246 -2.710 104 HA LYS 18 HA LYS 18 6.719 -3.451 -3.520 105 1HB LYS 18 2HB LYS 18 9.284 -2.268 -4.630 106 2HB LYS 18 1HB LYS 18 8.341 -3.515 -5.445 107 1HG LYS 18 2HG LYS 18 7.231 -0.812 -4.627 108 2HG LYS 18 1HG LYS 18 7.824 -1.189 -6.244 109 1HD LYS 18 2HD LYS 18 6.143 -2.916 -6.522 110 2HD LYS 18 1HD LYS 18 5.615 -2.727 -4.850 111 1HE LYS 18 2HE LYS 18 5.503 -0.135 -6.005 112 2HE LYS 18 1HE LYS 18 4.753 -1.242 -7.170 113 1HZ LYS 18 1HZ LYS 18 3.143 -0.543 -5.506 114 2HZ LYS 18 2HZ LYS 18 4.148 -1.109 -4.259 115 3HZ LYS 18 3HZ LYS 18 3.455 -2.204 -5.359 116 H SER 19 H SER 19 9.302 -3.211 -1.352 117 HA SER 19 HA SER 19 10.874 -5.532 -1.908 118 1HB SER 19 2HB SER 19 10.150 -3.962 0.571 119 2HB SER 19 1HB SER 19 11.241 -5.344 0.649 120 HG SER 19 HG SER 19 12.023 -3.015 0.184 121 H SER 20 H SER 20 7.855 -5.120 -0.044 122 HA SER 20 HA SER 20 7.691 -8.098 0.270 123 1HB SER 20 2HB SER 20 6.647 -5.718 1.806 124 2HB SER 20 1HB SER 20 5.955 -7.320 2.043 125 HG SER 20 HG SER 20 8.450 -6.312 2.727 126 H ASN 21 H ASN 21 6.794 -6.190 -2.064 127 HA ASN 21 HA ASN 21 4.964 -6.013 -3.536 128 1HB ASN 21 2HB ASN 21 5.521 -8.611 -2.974 129 2HB ASN 21 1HB ASN 21 3.833 -8.546 -2.466 130 1HD2 ASN 21 1HD2 ASN 21 2.253 -7.668 -4.147 131 2HD2 ASN 21 2HD2 ASN 21 2.604 -7.920 -5.788 132 H LEU 22 H LEU 22 4.108 -4.203 -2.153 133 HA LEU 22 HA LEU 22 1.590 -4.997 -0.717 134 1HB LEU 22 2HB LEU 22 3.672 -2.860 -0.210 135 2HB LEU 22 1HB LEU 22 2.085 -2.822 0.559 136 HG LEU 22 HG LEU 22 3.788 -5.306 0.687 137 1HD1 LEU 22 1HD1 LEU 22 5.201 -3.479 1.516 138 2HD1 LEU 22 2HD1 LEU 22 4.650 -4.472 2.865 139 3HD1 LEU 22 3HD1 LEU 22 3.890 -2.912 2.550 140 1HD2 LEU 22 1HD2 LEU 22 1.477 -5.541 1.391 141 2HD2 LEU 22 2HD2 LEU 22 1.590 -4.093 2.393 142 3HD2 LEU 22 3HD2 LEU 22 2.490 -5.545 2.835 143 H VAL 23 H VAL 23 -0.255 -3.766 -1.150 144 HA VAL 23 HA VAL 23 -0.033 -1.700 -3.320 145 HB VAL 23 HB VAL 23 -2.287 -2.561 -4.026 146 1HG1 VAL 23 1HG1 VAL 23 -0.151 -4.708 -3.880 147 2HG1 VAL 23 2HG1 VAL 23 -0.163 -3.388 -5.048 148 3HG1 VAL 23 3HG1 VAL 23 -1.448 -4.597 -5.070 149 1HG2 VAL 23 1HG2 VAL 23 -2.764 -3.524 -1.690 150 2HG2 VAL 23 2HG2 VAL 23 -1.743 -4.882 -2.161 151 3HG2 VAL 23 3HG2 VAL 23 -3.217 -4.534 -3.063 152 H CYS 24 H CYS 24 -2.181 -0.293 -3.273 153 HA CYS 24 HA CYS 24 -2.453 0.718 -0.506 154 1HB CYS 24 2HB CYS 24 -2.155 1.928 -2.883 155 2HB CYS 24 1HB CYS 24 -3.917 1.877 -2.833 156 H SER 25 H SER 25 -4.571 1.087 0.456 157 HA SER 25 HA SER 25 -6.691 -0.795 -0.542 158 1HB SER 25 2HB SER 25 -5.270 -0.913 1.779 159 2HB SER 25 1HB SER 25 -6.632 0.075 2.297 160 HG SER 25 HG SER 25 -6.797 -2.349 2.367 161 H ARG 26 H ARG 26 -8.939 -0.077 0.376 162 HA ARG 26 HA ARG 26 -9.204 2.896 0.044 163 1HB ARG 26 2HB ARG 26 -10.110 1.251 -1.704 164 2HB ARG 26 1HB ARG 26 -11.295 0.774 -0.488 165 1HG ARG 26 2HG ARG 26 -12.291 2.915 -0.443 166 2HG ARG 26 1HG ARG 26 -10.898 3.676 -1.213 167 1HD ARG 26 2HD ARG 26 -12.284 3.531 -3.065 168 2HD ARG 26 1HD ARG 26 -11.556 1.916 -3.162 169 HE ARG 26 HE ARG 26 -13.670 1.561 -1.410 170 1HH1 ARG 26 2HH1 ARG 26 -13.803 0.191 -3.990 171 2HH1 ARG 26 1HH1 ARG 26 -15.162 0.926 -4.772 172 1HH2 ARG 26 1HH2 ARG 26 -15.221 3.685 -2.659 173 2HH2 ARG 26 2HH2 ARG 26 -15.967 2.908 -4.016 174 H ALA 27 H ALA 27 -10.580 0.055 1.750 175 HA ALA 27 HA ALA 27 -12.403 1.440 3.442 176 1HB ALA 27 1HB ALA 27 -12.238 -0.622 4.801 177 2HB ALA 27 2HB ALA 27 -10.764 -1.067 3.940 178 3HB ALA 27 3HB ALA 27 -12.303 -1.007 3.081 179 H HIS 28 H HIS 28 -8.977 0.592 3.970 180 HA HIS 28 HA HIS 28 -8.961 2.369 6.384 181 1HB HIS 28 2HB HIS 28 -7.787 -0.215 5.640 182 2HB HIS 28 1HB HIS 28 -6.608 0.893 6.341 183 HD1 HIS 28 HD1 HIS 28 -6.450 -0.171 8.655 184 HD2 HIS 28 HD2 HIS 28 -10.368 0.760 7.574 185 HE1 HIS 28 HE1 HIS 28 -7.862 -0.489 10.734 186 H ARG 29 H ARG 29 -7.859 2.169 3.121 187 HA ARG 29 HA ARG 29 -6.378 3.500 1.865 188 1HB ARG 29 2HB ARG 29 -7.941 5.100 3.268 189 2HB ARG 29 1HB ARG 29 -6.454 5.466 4.142 190 1HG ARG 29 2HG ARG 29 -5.384 6.301 2.200 191 2HG ARG 29 1HG ARG 29 -6.575 5.564 1.127 192 1HD ARG 29 2HD ARG 29 -7.806 7.393 3.065 193 2HD ARG 29 1HD ARG 29 -6.639 8.200 1.999 194 HE ARG 29 HE ARG 29 -8.007 7.642 0.127 195 1HH1 ARG 29 1HH2 ARG 29 -10.243 8.009 2.175 196 2HH1 ARG 29 2HH2 ARG 29 -11.193 6.589 1.890 197 1HH2 ARG 29 2HH1 ARG 29 -8.699 4.953 0.110 198 2HH2 ARG 29 1HH1 ARG 29 -10.317 4.856 0.718 199 H TRP 30 H TRP 30 -4.877 1.618 2.821 200 HA TRP 30 HA TRP 30 -2.413 2.951 3.794 201 1HB TRP 30 2HB TRP 30 -2.210 1.467 5.700 202 2HB TRP 30 1HB TRP 30 -3.809 2.202 5.763 203 HD1 TRP 30 HD1 TRP 30 -5.694 0.571 4.247 204 HE1 TRP 30 HE1 TRP 30 -6.077 -1.953 4.594 205 HE3 TRP 30 HE3 TRP 30 -1.307 -0.673 6.537 206 HZ2 TRP 30 HZ2 TRP 30 -4.704 -4.202 5.697 207 HZ3 TRP 30 HZ3 TRP 30 -0.872 -3.014 7.228 208 HH2 TRP 30 HH2 TRP 30 -2.564 -4.777 6.811 209 H CYS 31 H CYS 31 -0.688 0.969 4.048 210 HA CYS 31 HA CYS 31 -0.613 -0.290 1.377 211 1HB CYS 31 2HB CYS 31 1.274 0.072 3.704 212 2HB CYS 31 1HB CYS 31 1.687 -1.003 2.369 213 H LYS 32 H LYS 32 -1.853 -2.138 1.265 214 HA LYS 32 HA LYS 32 -1.559 -4.171 3.456 215 1HB LYS 32 2HB LYS 32 -3.808 -4.916 2.733 216 2HB LYS 32 1HB LYS 32 -3.819 -3.207 3.157 217 1HG LYS 32 2HG LYS 32 -4.305 -2.561 1.035 218 2HG LYS 32 1HG LYS 32 -3.177 -3.716 0.329 219 1HD LYS 32 2HD LYS 32 -4.956 -5.495 1.097 220 2HD LYS 32 1HD LYS 32 -6.052 -4.112 1.102 221 1HE LYS 32 2HE LYS 32 -5.244 -3.613 -1.271 222 2HE LYS 32 1HE LYS 32 -4.472 -5.210 -1.241 223 1HZ LYS 32 1HZ LYS 32 -6.712 -5.401 -2.100 224 2HZ LYS 32 2HZ LYS 32 -7.345 -4.639 -0.720 225 3HZ LYS 32 3HZ LYS 32 -6.617 -6.170 -0.591 226 H TYR 33 H TYR 33 -1.891 -6.491 2.528 227 HA TYR 33 HA TYR 33 -0.001 -6.857 0.298 228 1HB TYR 33 2HB TYR 33 -0.672 -8.203 2.620 229 2HB TYR 33 1HB TYR 33 -1.432 -9.193 1.374 230 HD1 TYR 33 HD1 TYR 33 -0.020 -9.960 -0.609 231 HD2 TYR 33 HD2 TYR 33 1.676 -8.236 2.942 232 HE1 TYR 33 HE1 TYR 33 2.192 -10.907 -1.207 233 HE2 TYR 33 HE2 TYR 33 3.889 -9.183 2.344 234 HH TYR 33 HH TYR 33 4.492 -11.496 0.608 235 H GLU 34 H GLU 34 -0.536 -7.877 -1.704 236 HA GLU 34 HA GLU 34 -3.407 -7.644 -2.477 237 1HB GLU 34 2HB GLU 34 -1.356 -6.562 -3.657 238 2HB GLU 34 1HB GLU 34 -1.049 -8.181 -4.285 239 1HG GLU 34 2HG GLU 34 -3.816 -7.054 -4.520 240 2HG GLU 34 1HG GLU 34 -2.574 -6.483 -5.635 241 H ILE 35 H ILE 35 -4.616 -9.462 -2.829 242 HA ILE 35 HA ILE 35 -3.237 -12.039 -3.440 243 HB ILE 35 HB ILE 35 -3.634 -11.759 -0.973 244 1HG1 ILE 35 2HG1 ILE 35 -5.486 -13.916 -1.354 245 2HG1 ILE 35 1HG1 ILE 35 -4.309 -13.956 -2.667 246 1HG2 ILE 35 1HG2 ILE 35 -5.823 -11.625 -0.073 247 2HG2 ILE 35 2HG2 ILE 35 -6.573 -12.022 -1.619 248 3HG2 ILE 35 3HG2 ILE 35 -5.812 -10.448 -1.387 249 1HD1 ILE 35 1HD1 ILE 35 -3.948 -14.722 0.081 250 2HD1 ILE 35 2HD1 ILE 35 -2.864 -13.383 -0.289 251 3HD1 ILE 35 3HD1 ILE 35 -2.807 -14.855 -1.256 252 1HN NH2 36 1HN NH2 36 -6.585 -10.762 -5.200 253 2HN NH2 36 2HN NH2 36 -5.212 -9.837 -4.555 Start of MODEL 16 1 1H GLU 1 1H GLU 1 11.385 7.433 5.027 2 2H GLU 1 2H GLU 1 9.710 7.206 5.209 3 3H GLU 1 3H GLU 1 10.363 7.554 3.679 4 HA GLU 1 HA GLU 1 11.556 5.422 3.691 5 1HB GLU 1 2HB GLU 1 10.285 5.456 6.423 6 2HB GLU 1 1HB GLU 1 10.676 3.916 5.658 7 1HG GLU 1 2HG GLU 1 12.839 4.159 6.232 8 2HG GLU 1 1HG GLU 1 12.917 5.683 5.345 9 H CYS 2 H CYS 2 10.363 3.320 3.202 10 HA CYS 2 HA CYS 2 7.888 3.852 1.788 11 1HB CYS 2 2HB CYS 2 8.103 1.547 1.130 12 2HB CYS 2 1HB CYS 2 9.743 2.182 1.243 13 H LEU 3 H LEU 3 5.849 2.564 2.214 14 HA LEU 3 HA LEU 3 5.308 2.453 5.153 15 1HB LEU 3 2HB LEU 3 3.443 2.576 2.757 16 2HB LEU 3 1HB LEU 3 2.963 2.723 4.445 17 HG LEU 3 HG LEU 3 4.728 4.632 2.885 18 1HD1 LEU 3 1HD1 LEU 3 1.914 4.660 3.926 19 2HD1 LEU 3 2HD1 LEU 3 2.537 5.230 2.377 20 3HD1 LEU 3 3HD1 LEU 3 2.808 6.179 3.840 21 1HD2 LEU 3 1HD2 LEU 3 4.306 4.227 5.812 22 2HD2 LEU 3 2HD2 LEU 3 4.326 5.892 5.229 23 3HD2 LEU 3 3HD2 LEU 3 5.719 4.845 4.955 24 H GLY 4 H GLY 4 5.353 0.427 6.012 25 1HA GLY 4 2HA GLY 4 5.178 -1.955 4.332 26 2HA GLY 4 1HA GLY 4 5.375 -1.935 6.084 27 H PHE 5 H PHE 5 3.724 -3.329 6.694 28 HA PHE 5 HA PHE 5 1.012 -3.026 5.549 29 1HB PHE 5 2HB PHE 5 2.598 -5.094 6.598 30 2HB PHE 5 1HB PHE 5 1.322 -4.860 7.792 31 HD1 PHE 5 HD1 PHE 5 2.157 -6.477 4.771 32 HD2 PHE 5 HD2 PHE 5 -1.113 -4.526 6.761 33 HE1 PHE 5 HE1 PHE 5 0.553 -7.653 3.292 34 HE2 PHE 5 HE2 PHE 5 -2.714 -5.705 5.280 35 HZ PHE 5 HZ PHE 5 -1.882 -7.265 3.546 36 H GLY 6 H GLY 6 -0.505 -1.730 6.504 37 1HA GLY 6 2HA GLY 6 -1.822 -1.026 8.408 38 2HA GLY 6 1HA GLY 6 -0.440 -1.354 9.453 39 H LYS 7 H LYS 7 -0.906 0.652 6.513 40 HA LYS 7 HA LYS 7 -0.267 3.096 8.059 41 1HB LYS 7 2HB LYS 7 1.655 1.571 6.516 42 2HB LYS 7 1HB LYS 7 1.455 3.177 5.817 43 1HG LYS 7 2HG LYS 7 2.100 2.562 8.717 44 2HG LYS 7 1HG LYS 7 3.217 3.220 7.524 45 1HD LYS 7 2HD LYS 7 0.690 4.561 8.539 46 2HD LYS 7 1HD LYS 7 2.345 5.030 8.924 47 1HE LYS 7 2HE LYS 7 2.537 5.144 6.250 48 2HE LYS 7 1HE LYS 7 0.798 5.458 6.403 49 1HZ LYS 7 1HZ LYS 7 2.109 7.506 6.595 50 2HZ LYS 7 2HZ LYS 7 2.933 6.857 7.933 51 3HZ LYS 7 3HZ LYS 7 1.264 7.171 8.028 52 H GLY 8 H GLY 8 -1.350 4.825 7.176 53 1HA GLY 8 2HA GLY 8 -3.250 4.511 5.094 54 2HA GLY 8 1HA GLY 8 -2.673 6.067 5.690 55 H CYS 9 H CYS 9 -3.204 5.005 2.893 56 HA CYS 9 HA CYS 9 -0.690 6.034 1.682 57 1HB CYS 9 2HB CYS 9 -0.156 3.764 1.617 58 2HB CYS 9 1HB CYS 9 -1.843 3.268 1.502 59 H ASN 10 H ASN 10 -1.038 6.781 -0.524 60 HA ASN 10 HA ASN 10 -3.911 7.345 -1.136 61 1HB ASN 10 2HB ASN 10 -1.254 8.640 -1.646 62 2HB ASN 10 1HB ASN 10 -2.575 8.975 -2.765 63 1HD2 ASN 10 1HD2 ASN 10 -3.719 10.816 -2.172 64 2HD2 ASN 10 2HD2 ASN 10 -3.985 11.331 -0.576 65 HA PRO 11 HA PRO 11 -3.707 4.616 -4.611 66 1HB PRO 11 2HB PRO 11 -5.670 5.737 -6.168 67 2HB PRO 11 1HB PRO 11 -6.015 4.769 -4.721 68 1HG PRO 11 2HG PRO 11 -5.986 7.729 -5.053 69 2HG PRO 11 1HG PRO 11 -7.098 6.708 -4.127 70 1HD PRO 11 2HD PRO 11 -5.077 8.123 -2.984 71 2HD PRO 11 1HD PRO 11 -5.696 6.596 -2.314 72 H SER 12 H SER 12 -3.845 8.135 -5.301 73 HA SER 12 HA SER 12 -2.539 7.884 -7.905 74 1HB SER 12 2HB SER 12 -4.169 9.688 -7.066 75 2HB SER 12 1HB SER 12 -2.814 10.338 -6.146 76 HG SER 12 HG SER 12 -2.266 11.276 -7.938 77 H ASN 13 H ASN 13 -1.551 8.768 -4.598 78 HA ASN 13 HA ASN 13 1.305 8.847 -5.496 79 1HB ASN 13 2HB ASN 13 0.030 10.783 -4.275 80 2HB ASN 13 1HB ASN 13 0.218 9.779 -2.837 81 1HD2 ASN 13 1HD2 ASN 13 1.811 12.096 -4.817 82 2HD2 ASN 13 2HD2 ASN 13 3.367 11.918 -4.162 83 H ASP 14 H ASP 14 0.809 6.341 -5.481 84 HA ASP 14 HA ASP 14 0.454 4.864 -3.080 85 1HB ASP 14 2HB ASP 14 1.243 4.460 -5.844 86 2HB ASP 14 1HB ASP 14 2.178 3.416 -4.774 87 H GLN 15 H GLN 15 1.763 4.829 -1.295 88 HA GLN 15 HA GLN 15 4.716 5.241 -1.685 89 1HB GLN 15 2HB GLN 15 2.707 6.261 0.310 90 2HB GLN 15 1HB GLN 15 4.402 6.125 0.776 91 1HG GLN 15 2HG GLN 15 4.721 7.347 -1.601 92 2HG GLN 15 1HG GLN 15 3.118 7.957 -1.190 93 1HE2 GLN 15 1HE2 GLN 15 6.441 7.662 0.174 94 2HE2 GLN 15 2HE2 GLN 15 6.318 9.040 1.158 95 H CYS 16 H CYS 16 3.053 2.676 -1.525 96 HA CYS 16 HA CYS 16 3.622 1.479 1.075 97 1HB CYS 16 2HB CYS 16 2.793 0.400 -1.636 98 2HB CYS 16 1HB CYS 16 2.888 -0.592 -0.182 99 H CYS 17 H CYS 17 5.078 -0.429 1.311 100 HA CYS 17 HA CYS 17 7.701 0.081 0.108 101 1HB CYS 17 2HB CYS 17 6.816 -0.840 2.500 102 2HB CYS 17 1HB CYS 17 7.153 -2.374 1.697 103 H LYS 18 H LYS 18 8.331 -0.798 -1.806 104 HA LYS 18 HA LYS 18 6.765 -2.827 -3.185 105 1HB LYS 18 2HB LYS 18 8.149 -0.861 -4.107 106 2HB LYS 18 1HB LYS 18 9.562 -1.882 -3.838 107 1HG LYS 18 2HG LYS 18 8.810 -3.522 -5.375 108 2HG LYS 18 1HG LYS 18 7.172 -2.868 -5.397 109 1HD LYS 18 2HD LYS 18 8.300 -0.703 -6.315 110 2HD LYS 18 1HD LYS 18 9.662 -1.762 -6.683 111 1HE LYS 18 2HE LYS 18 8.463 -1.969 -8.665 112 2HE LYS 18 1HE LYS 18 7.702 -3.273 -7.733 113 1HZ LYS 18 1HZ LYS 18 6.757 -0.455 -7.879 114 2HZ LYS 18 2HZ LYS 18 6.051 -1.681 -6.936 115 3HZ LYS 18 3HZ LYS 18 6.023 -1.786 -8.631 116 H SER 19 H SER 19 9.473 -2.930 -0.980 117 HA SER 19 HA SER 19 10.787 -5.323 -1.769 118 1HB SER 19 2HB SER 19 11.439 -3.626 -0.004 119 2HB SER 19 1HB SER 19 10.229 -4.351 1.051 120 HG SER 19 HG SER 19 11.612 -5.869 1.460 121 H SER 20 H SER 20 7.852 -4.855 0.217 122 HA SER 20 HA SER 20 7.520 -7.826 0.371 123 1HB SER 20 2HB SER 20 7.535 -6.222 2.394 124 2HB SER 20 1HB SER 20 5.957 -5.686 1.829 125 HG SER 20 HG SER 20 6.759 -8.145 2.896 126 H ASN 21 H ASN 21 6.841 -5.940 -1.997 127 HA ASN 21 HA ASN 21 5.085 -5.635 -3.542 128 1HB ASN 21 2HB ASN 21 4.966 -8.368 -2.377 129 2HB ASN 21 1HB ASN 21 3.554 -7.868 -3.306 130 1HD2 ASN 21 1HD2 ASN 21 6.934 -8.780 -3.540 131 2HD2 ASN 21 2HD2 ASN 21 7.042 -8.672 -5.230 132 H LEU 22 H LEU 22 4.432 -3.920 -1.696 133 HA LEU 22 HA LEU 22 1.742 -4.595 -0.577 134 1HB LEU 22 2HB LEU 22 3.903 -2.573 -0.005 135 2HB LEU 22 1HB LEU 22 2.267 -2.319 0.600 136 HG LEU 22 HG LEU 22 3.596 -4.976 1.039 137 1HD1 LEU 22 1HD1 LEU 22 5.289 -3.465 1.833 138 2HD1 LEU 22 2HD1 LEU 22 4.404 -4.028 3.250 139 3HD1 LEU 22 3HD1 LEU 22 4.085 -2.422 2.592 140 1HD2 LEU 22 1HD2 LEU 22 1.374 -5.010 1.768 141 2HD2 LEU 22 2HD2 LEU 22 1.409 -3.320 2.273 142 3HD2 LEU 22 3HD2 LEU 22 2.221 -4.548 3.245 143 H VAL 23 H VAL 23 -0.079 -3.538 -1.330 144 HA VAL 23 HA VAL 23 0.316 -1.373 -3.376 145 HB VAL 23 HB VAL 23 -1.713 -2.348 -4.465 146 1HG1 VAL 23 1HG1 VAL 23 0.654 -3.047 -5.041 147 2HG1 VAL 23 2HG1 VAL 23 -0.588 -4.233 -5.441 148 3HG1 VAL 23 3HG1 VAL 23 0.413 -4.455 -4.006 149 1HG2 VAL 23 1HG2 VAL 23 -2.496 -3.398 -2.233 150 2HG2 VAL 23 2HG2 VAL 23 -1.372 -4.706 -2.602 151 3HG2 VAL 23 3HG2 VAL 23 -2.711 -4.359 -3.695 152 H CYS 24 H CYS 24 -1.430 0.245 -3.445 153 HA CYS 24 HA CYS 24 -2.439 0.934 -0.793 154 1HB CYS 24 2HB CYS 24 -1.685 2.308 -2.993 155 2HB CYS 24 1HB CYS 24 -3.428 2.291 -3.250 156 H SER 25 H SER 25 -4.608 0.902 -0.102 157 HA SER 25 HA SER 25 -6.449 -0.812 -1.716 158 1HB SER 25 2HB SER 25 -7.159 -1.621 0.313 159 2HB SER 25 1HB SER 25 -5.601 -1.008 0.855 160 HG SER 25 HG SER 25 -8.139 -0.136 1.401 161 H ARG 26 H ARG 26 -8.866 -0.168 -1.315 162 HA ARG 26 HA ARG 26 -9.117 2.790 -1.739 163 1HB ARG 26 2HB ARG 26 -10.022 0.426 -3.113 164 2HB ARG 26 1HB ARG 26 -11.424 1.353 -2.582 165 1HG ARG 26 2HG ARG 26 -10.758 2.143 -4.785 166 2HG ARG 26 1HG ARG 26 -10.402 3.399 -3.600 167 1HD ARG 26 2HD ARG 26 -8.503 3.083 -5.184 168 2HD ARG 26 1HD ARG 26 -8.029 2.650 -3.531 169 HE ARG 26 HE ARG 26 -7.842 0.404 -4.243 170 1HH1 ARG 26 2HH1 ARG 26 -7.850 1.856 -7.062 171 2HH1 ARG 26 1HH1 ARG 26 -8.879 0.763 -7.928 172 1HH2 ARG 26 1HH2 ARG 26 -10.020 -0.848 -5.067 173 2HH2 ARG 26 2HH2 ARG 26 -10.112 -0.771 -6.795 174 H ALA 27 H ALA 27 -10.386 0.020 0.078 175 HA ALA 27 HA ALA 27 -12.684 1.288 1.229 176 1HB ALA 27 1HB ALA 27 -10.857 -0.952 2.140 177 2HB ALA 27 2HB ALA 27 -12.363 -1.112 1.237 178 3HB ALA 27 3HB ALA 27 -12.396 -0.571 2.915 179 H HIS 28 H HIS 28 -9.520 0.637 2.774 180 HA HIS 28 HA HIS 28 -10.056 2.860 4.697 181 1HB HIS 28 2HB HIS 28 -8.247 0.437 4.649 182 2HB HIS 28 1HB HIS 28 -8.103 1.690 5.882 183 HD1 HIS 28 HD1 HIS 28 -10.461 2.220 7.195 184 HD2 HIS 28 HD2 HIS 28 -10.185 -1.451 5.239 185 HE1 HIS 28 HE1 HIS 28 -12.282 0.754 8.167 186 H ARG 29 H ARG 29 -8.331 2.308 1.825 187 HA ARG 29 HA ARG 29 -6.607 3.486 0.743 188 1HB ARG 29 2HB ARG 29 -8.262 5.248 2.201 189 2HB ARG 29 1HB ARG 29 -6.614 5.788 2.516 190 1HG ARG 29 2HG ARG 29 -6.888 6.897 0.538 191 2HG ARG 29 1HG ARG 29 -6.456 5.334 -0.154 192 1HD ARG 29 2HD ARG 29 -8.595 4.920 -0.885 193 2HD ARG 29 1HD ARG 29 -9.334 5.702 0.527 194 HE ARG 29 HE ARG 29 -8.513 7.055 -1.950 195 1HH1 ARG 29 2HH1 ARG 29 -10.945 7.496 -0.040 196 2HH1 ARG 29 1HH1 ARG 29 -10.585 9.088 0.538 197 1HH2 ARG 29 1HH2 ARG 29 -7.297 9.041 -0.586 198 2HH2 ARG 29 2HH2 ARG 29 -8.515 9.965 0.228 199 H TRP 30 H TRP 30 -5.270 1.714 1.926 200 HA TRP 30 HA TRP 30 -3.037 3.060 3.332 201 1HB TRP 30 2HB TRP 30 -3.140 1.504 5.219 202 2HB TRP 30 1HB TRP 30 -4.687 2.328 5.063 203 HD1 TRP 30 HD1 TRP 30 -6.419 0.835 3.280 204 HE1 TRP 30 HE1 TRP 30 -6.990 -1.669 3.509 205 HE3 TRP 30 HE3 TRP 30 -2.481 -0.693 6.126 206 HZ2 TRP 30 HZ2 TRP 30 -5.910 -4.014 4.749 207 HZ3 TRP 30 HZ3 TRP 30 -2.273 -3.061 6.824 208 HH2 TRP 30 HH2 TRP 30 -3.983 -4.723 6.140 209 H CYS 31 H CYS 31 -1.407 1.018 3.907 210 HA CYS 31 HA CYS 31 -0.864 -0.183 1.254 211 1HB CYS 31 2HB CYS 31 0.635 0.217 3.839 212 2HB CYS 31 1HB CYS 31 1.278 -0.837 2.582 213 H LYS 32 H LYS 32 -1.752 -2.151 0.852 214 HA LYS 32 HA LYS 32 -1.756 -4.197 3.047 215 1HB LYS 32 2HB LYS 32 -3.951 -4.921 2.188 216 2HB LYS 32 1HB LYS 32 -4.001 -3.215 2.623 217 1HG LYS 32 2HG LYS 32 -4.616 -2.683 0.528 218 2HG LYS 32 1HG LYS 32 -3.143 -3.416 -0.104 219 1HD LYS 32 2HD LYS 32 -4.461 -4.975 -1.066 220 2HD LYS 32 1HD LYS 32 -4.758 -5.597 0.557 221 1HE LYS 32 2HE LYS 32 -6.384 -3.288 -0.526 222 2HE LYS 32 1HE LYS 32 -6.839 -4.969 -0.862 223 1HZ LYS 32 1HZ LYS 32 -6.690 -5.417 1.540 224 2HZ LYS 32 2HZ LYS 32 -7.879 -4.257 1.179 225 3HZ LYS 32 3HZ LYS 32 -6.384 -3.771 1.824 226 H TYR 33 H TYR 33 -2.475 -6.424 1.673 227 HA TYR 33 HA TYR 33 -0.313 -6.696 -0.378 228 1HB TYR 33 2HB TYR 33 -0.797 -8.093 1.894 229 2HB TYR 33 1HB TYR 33 -1.744 -9.049 0.755 230 HD1 TYR 33 HD1 TYR 33 -0.642 -10.031 -1.274 231 HD2 TYR 33 HD2 TYR 33 1.601 -8.101 1.841 232 HE1 TYR 33 HE1 TYR 33 1.437 -11.088 -2.116 233 HE2 TYR 33 HE2 TYR 33 3.678 -9.158 0.998 234 HH TYR 33 HH TYR 33 4.194 -10.234 -1.791 235 H GLU 34 H GLU 34 -0.805 -7.722 -2.400 236 HA GLU 34 HA GLU 34 -3.445 -7.215 -3.475 237 1HB GLU 34 2HB GLU 34 -1.024 -7.349 -4.531 238 2HB GLU 34 1HB GLU 34 -1.430 -9.052 -4.742 239 1HG GLU 34 2HG GLU 34 -2.462 -8.408 -6.653 240 2HG GLU 34 1HG GLU 34 -3.724 -7.761 -5.604 241 H ILE 35 H ILE 35 -5.194 -8.491 -3.011 242 HA ILE 35 HA ILE 35 -4.757 -11.408 -2.477 243 HB ILE 35 HB ILE 35 -6.988 -9.469 -1.761 244 1HG1 ILE 35 2HG1 ILE 35 -5.605 -10.839 0.412 245 2HG1 ILE 35 1HG1 ILE 35 -4.481 -9.910 -0.579 246 1HG2 ILE 35 1HG2 ILE 35 -6.649 -12.436 -1.272 247 2HG2 ILE 35 2HG2 ILE 35 -8.017 -11.606 -2.016 248 3HG2 ILE 35 3HG2 ILE 35 -7.716 -11.434 -0.287 249 1HD1 ILE 35 1HD1 ILE 35 -6.060 -7.949 -0.381 250 2HD1 ILE 35 2HD1 ILE 35 -5.312 -8.437 1.140 251 3HD1 ILE 35 3HD1 ILE 35 -6.980 -8.891 0.793 252 1HN NH2 36 1HN NH2 36 -7.267 -12.625 -4.676 253 2HN NH2 36 2HN NH2 36 -6.663 -12.747 -3.009 Start of MODEL 17 1 1H GLU 1 1H GLU 1 11.422 7.015 2.590 2 2H GLU 1 2H GLU 1 10.563 6.847 4.046 3 3H GLU 1 3H GLU 1 11.303 8.327 3.661 4 HA GLU 1 HA GLU 1 8.912 8.468 3.282 5 1HB GLU 1 2HB GLU 1 10.960 8.560 1.084 6 2HB GLU 1 1HB GLU 1 9.280 8.923 0.694 7 1HG GLU 1 2HG GLU 1 9.302 10.897 1.836 8 2HG GLU 1 1HG GLU 1 10.320 10.254 3.125 9 H CYS 2 H CYS 2 8.292 6.072 3.790 10 HA CYS 2 HA CYS 2 7.116 4.896 1.327 11 1HB CYS 2 2HB CYS 2 9.402 3.925 1.666 12 2HB CYS 2 1HB CYS 2 8.892 3.358 3.256 13 H LEU 3 H LEU 3 5.199 3.756 1.773 14 HA LEU 3 HA LEU 3 4.168 4.006 4.553 15 1HB LEU 3 2HB LEU 3 2.860 3.366 1.886 16 2HB LEU 3 1HB LEU 3 1.989 3.576 3.404 17 HG LEU 3 HG LEU 3 3.789 5.694 2.192 18 1HD1 LEU 3 1HD1 LEU 3 1.983 6.624 1.104 19 2HD1 LEU 3 2HD1 LEU 3 0.819 5.986 2.266 20 3HD1 LEU 3 3HD1 LEU 3 1.495 4.931 1.025 21 1HD2 LEU 3 1HD2 LEU 3 1.812 5.653 4.492 22 2HD2 LEU 3 2HD2 LEU 3 2.466 7.140 3.807 23 3HD2 LEU 3 3HD2 LEU 3 3.544 5.975 4.575 24 H GLY 4 H GLY 4 4.749 2.215 5.761 25 1HA GLY 4 2HA GLY 4 4.981 -0.441 4.559 26 2HA GLY 4 1HA GLY 4 5.194 -0.054 6.266 27 H PHE 5 H PHE 5 3.882 -1.965 6.739 28 HA PHE 5 HA PHE 5 1.120 -2.167 5.858 29 1HB PHE 5 2HB PHE 5 2.692 -4.014 6.613 30 2HB PHE 5 1HB PHE 5 2.474 -3.428 8.262 31 HD1 PHE 5 HD1 PHE 5 0.543 -4.584 5.268 32 HD2 PHE 5 HD2 PHE 5 0.641 -4.150 9.541 33 HE1 PHE 5 HE1 PHE 5 -1.573 -5.862 5.448 34 HE2 PHE 5 HE2 PHE 5 -1.475 -5.430 9.718 35 HZ PHE 5 HZ PHE 5 -2.582 -6.286 7.671 36 H GLY 6 H GLY 6 -0.580 -1.012 6.659 37 1HA GLY 6 2HA GLY 6 -1.968 -0.205 8.469 38 2HA GLY 6 1HA GLY 6 -0.536 -0.124 9.496 39 H LYS 7 H LYS 7 -0.967 1.175 6.199 40 HA LYS 7 HA LYS 7 -0.851 3.954 7.286 41 1HB LYS 7 2HB LYS 7 1.253 2.438 5.935 42 2HB LYS 7 1HB LYS 7 0.869 3.929 5.076 43 1HG LYS 7 2HG LYS 7 1.461 5.285 6.881 44 2HG LYS 7 1HG LYS 7 1.215 3.996 8.060 45 1HD LYS 7 2HD LYS 7 3.193 2.803 7.080 46 2HD LYS 7 1HD LYS 7 3.475 4.211 6.057 47 1HE LYS 7 2HE LYS 7 3.369 5.507 8.384 48 2HE LYS 7 1HE LYS 7 3.853 3.920 9.013 49 1HZ LYS 7 1HZ LYS 7 5.790 5.231 8.359 50 2HZ LYS 7 2HZ LYS 7 5.181 5.368 6.778 51 3HZ LYS 7 3HZ LYS 7 5.639 3.848 7.389 52 H GLY 8 H GLY 8 -2.243 5.270 6.148 53 1HA GLY 8 2HA GLY 8 -3.913 4.209 4.069 54 2HA GLY 8 1HA GLY 8 -3.851 5.899 4.560 55 H CYS 9 H CYS 9 -3.814 4.439 1.846 56 HA CYS 9 HA CYS 9 -1.701 6.153 0.637 57 1HB CYS 9 2HB CYS 9 -0.940 4.155 -0.696 58 2HB CYS 9 1HB CYS 9 -0.623 4.006 1.031 59 H ASN 10 H ASN 10 -1.929 5.742 -1.948 60 HA ASN 10 HA ASN 10 -4.859 5.962 -2.550 61 1HB ASN 10 2HB ASN 10 -2.362 7.297 -3.427 62 2HB ASN 10 1HB ASN 10 -3.536 6.990 -4.707 63 1HD2 ASN 10 1HD2 ASN 10 -2.886 8.909 -1.847 64 2HD2 ASN 10 2HD2 ASN 10 -4.302 9.841 -1.915 65 HA PRO 11 HA PRO 11 -4.530 2.257 -4.939 66 1HB PRO 11 2HB PRO 11 -6.672 2.626 -6.611 67 2HB PRO 11 1HB PRO 11 -6.840 2.164 -4.905 68 1HG PRO 11 2HG PRO 11 -7.157 4.834 -6.181 69 2HG PRO 11 1HG PRO 11 -8.092 4.087 -4.877 70 1HD PRO 11 2HD PRO 11 -6.177 5.975 -4.451 71 2HD PRO 11 1HD PRO 11 -6.600 4.724 -3.261 72 H SER 12 H SER 12 -5.157 5.271 -6.801 73 HA SER 12 HA SER 12 -4.030 4.309 -9.280 74 1HB SER 12 2HB SER 12 -4.056 6.767 -9.815 75 2HB SER 12 1HB SER 12 -5.585 6.189 -9.162 76 HG SER 12 HG SER 12 -5.291 7.397 -7.458 77 H ASN 13 H ASN 13 -2.704 6.221 -6.569 78 HA ASN 13 HA ASN 13 0.043 5.827 -7.707 79 1HB ASN 13 2HB ASN 13 -1.064 8.170 -7.364 80 2HB ASN 13 1HB ASN 13 -0.771 7.884 -5.648 81 1HD2 ASN 13 1HD2 ASN 13 0.746 8.765 -8.667 82 2HD2 ASN 13 2HD2 ASN 13 2.328 8.892 -8.065 83 H ASP 14 H ASP 14 -0.350 3.612 -6.569 84 HA ASP 14 HA ASP 14 -0.531 3.371 -3.734 85 1HB ASP 14 2HB ASP 14 0.230 1.089 -4.144 86 2HB ASP 14 1HB ASP 14 -0.848 1.571 -5.452 87 H GLN 15 H GLN 15 0.967 3.605 -2.125 88 HA GLN 15 HA GLN 15 3.839 4.028 -2.900 89 1HB GLN 15 2HB GLN 15 2.247 6.027 -2.237 90 2HB GLN 15 1HB GLN 15 2.505 5.433 -0.598 91 1HG GLN 15 2HG GLN 15 4.999 5.524 -1.070 92 2HG GLN 15 1HG GLN 15 4.606 6.380 -2.562 93 1HE2 GLN 15 1HE2 GLN 15 3.584 8.539 -2.355 94 2HE2 GLN 15 2HE2 GLN 15 3.712 9.412 -0.906 95 H CYS 16 H CYS 16 2.511 1.562 -1.937 96 HA CYS 16 HA CYS 16 3.130 1.232 0.896 97 1HB CYS 16 2HB CYS 16 2.481 -0.684 -1.367 98 2HB CYS 16 1HB CYS 16 2.587 -1.159 0.327 99 H CYS 17 H CYS 17 4.824 -0.181 1.725 100 HA CYS 17 HA CYS 17 7.379 0.142 0.368 101 1HB CYS 17 2HB CYS 17 6.407 -1.262 2.868 102 2HB CYS 17 1HB CYS 17 8.102 -1.282 2.385 103 H LYS 18 H LYS 18 8.501 -1.354 -0.836 104 HA LYS 18 HA LYS 18 7.075 -3.801 -1.677 105 1HB LYS 18 2HB LYS 18 8.857 -3.871 -3.373 106 2HB LYS 18 1HB LYS 18 8.167 -2.253 -3.279 107 1HG LYS 18 2HG LYS 18 10.067 -1.344 -2.328 108 2HG LYS 18 1HG LYS 18 10.527 -2.854 -1.543 109 1HD LYS 18 2HD LYS 18 12.116 -2.636 -3.269 110 2HD LYS 18 1HD LYS 18 10.921 -3.737 -3.955 111 1HE LYS 18 2HE LYS 18 10.076 -2.126 -5.416 112 2HE LYS 18 1HE LYS 18 10.575 -0.777 -4.377 113 1HZ LYS 18 1HZ LYS 18 12.038 -1.065 -6.327 114 2HZ LYS 18 2HZ LYS 18 12.453 -2.615 -5.772 115 3HZ LYS 18 3HZ LYS 18 12.869 -1.241 -4.860 116 H SER 19 H SER 19 9.010 -3.163 0.939 117 HA SER 19 HA SER 19 11.000 -5.222 0.894 118 1HB SER 19 2HB SER 19 9.485 -3.742 3.051 119 2HB SER 19 1HB SER 19 10.736 -4.917 3.444 120 HG SER 19 HG SER 19 11.644 -2.863 3.286 121 H SER 20 H SER 20 7.664 -5.213 2.222 122 HA SER 20 HA SER 20 7.816 -8.202 2.422 123 1HB SER 20 2HB SER 20 6.043 -7.911 4.119 124 2HB SER 20 1HB SER 20 7.448 -6.930 4.513 125 HG SER 20 HG SER 20 6.187 -5.264 4.407 126 H ASN 21 H ASN 21 7.089 -6.441 -0.003 127 HA ASN 21 HA ASN 21 5.525 -6.487 -1.760 128 1HB ASN 21 2HB ASN 21 5.916 -9.042 -0.756 129 2HB ASN 21 1HB ASN 21 4.161 -8.895 -0.757 130 1HD2 ASN 21 1HD2 ASN 21 5.480 -10.679 -2.562 131 2HD2 ASN 21 2HD2 ASN 21 5.284 -10.093 -4.142 132 H LEU 22 H LEU 22 4.549 -4.571 -0.493 133 HA LEU 22 HA LEU 22 1.871 -5.246 0.670 134 1HB LEU 22 2HB LEU 22 3.743 -2.872 0.877 135 2HB LEU 22 1HB LEU 22 2.104 -2.845 1.523 136 HG LEU 22 HG LEU 22 4.191 -4.914 2.276 137 1HD1 LEU 22 1HD1 LEU 22 4.260 -3.656 4.445 138 2HD1 LEU 22 2HD1 LEU 22 3.287 -2.391 3.695 139 3HD1 LEU 22 3HD1 LEU 22 4.906 -2.736 3.086 140 1HD2 LEU 22 1HD2 LEU 22 1.962 -5.765 2.612 141 2HD2 LEU 22 2HD2 LEU 22 1.420 -4.236 3.305 142 3HD2 LEU 22 3HD2 LEU 22 2.553 -5.254 4.193 143 H VAL 23 H VAL 23 0.006 -4.275 -0.192 144 HA VAL 23 HA VAL 23 0.352 -2.617 -2.671 145 HB VAL 23 HB VAL 23 -1.717 -3.883 -3.475 146 1HG1 VAL 23 1HG1 VAL 23 0.739 -5.576 -2.942 147 2HG1 VAL 23 2HG1 VAL 23 0.624 -4.366 -4.220 148 3HG1 VAL 23 3HG1 VAL 23 -0.424 -5.784 -4.251 149 1HG2 VAL 23 1HG2 VAL 23 -2.331 -5.932 -2.396 150 2HG2 VAL 23 2HG2 VAL 23 -2.261 -4.718 -1.119 151 3HG2 VAL 23 3HG2 VAL 23 -0.936 -5.864 -1.319 152 H CYS 24 H CYS 24 -1.253 -0.988 -2.970 153 HA CYS 24 HA CYS 24 -2.546 -0.045 -0.519 154 1HB CYS 24 2HB CYS 24 -1.413 1.296 -2.403 155 2HB CYS 24 1HB CYS 24 -2.881 1.006 -3.337 156 H SER 25 H SER 25 -4.693 -0.275 0.016 157 HA SER 25 HA SER 25 -6.427 -1.879 -1.811 158 1HB SER 25 2HB SER 25 -5.871 -2.498 0.610 159 2HB SER 25 1HB SER 25 -6.853 -1.118 1.093 160 HG SER 25 HG SER 25 -7.589 -3.548 -0.071 161 H ARG 26 H ARG 26 -8.764 -1.217 -1.904 162 HA ARG 26 HA ARG 26 -9.022 1.761 -2.032 163 1HB ARG 26 2HB ARG 26 -9.750 -0.477 -3.689 164 2HB ARG 26 1HB ARG 26 -11.216 0.391 -3.231 165 1HG ARG 26 2HG ARG 26 -9.242 2.347 -3.854 166 2HG ARG 26 1HG ARG 26 -9.222 1.152 -5.152 167 1HD ARG 26 2HD ARG 26 -11.244 1.834 -5.938 168 2HD ARG 26 1HD ARG 26 -11.948 1.872 -4.310 169 HE ARG 26 HE ARG 26 -10.035 4.030 -5.036 170 1HH1 ARG 26 2HH1 ARG 26 -11.891 4.045 -2.621 171 2HH1 ARG 26 1HH1 ARG 26 -13.126 5.138 -3.150 172 1HH2 ARG 26 1HH2 ARG 26 -12.212 4.974 -6.497 173 2HH2 ARG 26 2HH2 ARG 26 -13.308 5.665 -5.348 174 H ALA 27 H ALA 27 -10.537 -1.158 -0.676 175 HA ALA 27 HA ALA 27 -12.939 -0.051 0.348 176 1HB ALA 27 1HB ALA 27 -11.108 -2.216 1.434 177 2HB ALA 27 2HB ALA 27 -12.407 -2.447 0.264 178 3HB ALA 27 3HB ALA 27 -12.787 -1.985 1.923 179 H HIS 28 H HIS 28 -9.760 -0.372 1.952 180 HA HIS 28 HA HIS 28 -10.680 1.556 4.052 181 1HB HIS 28 2HB HIS 28 -8.663 -0.678 3.906 182 2HB HIS 28 1HB HIS 28 -8.548 0.544 5.172 183 HD1 HIS 28 HD1 HIS 28 -11.246 0.991 6.188 184 HD2 HIS 28 HD2 HIS 28 -10.099 -2.804 4.898 185 HE1 HIS 28 HE1 HIS 28 -12.841 -0.647 7.276 186 H ARG 29 H ARG 29 -8.740 1.412 1.249 187 HA ARG 29 HA ARG 29 -7.148 2.887 0.337 188 1HB ARG 29 2HB ARG 29 -9.110 4.353 1.287 189 2HB ARG 29 1HB ARG 29 -7.929 4.819 2.512 190 1HG ARG 29 2HG ARG 29 -6.381 5.580 0.784 191 2HG ARG 29 1HG ARG 29 -7.482 5.031 -0.480 192 1HD ARG 29 2HD ARG 29 -9.224 6.615 0.520 193 2HD ARG 29 1HD ARG 29 -7.902 7.302 1.483 194 HE ARG 29 HE ARG 29 -6.762 7.405 -0.942 195 1HH1 ARG 29 2HH1 ARG 29 -9.393 6.969 -2.304 196 2HH1 ARG 29 1HH1 ARG 29 -9.953 8.589 -2.551 197 1HH2 ARG 29 1HH2 ARG 29 -7.740 9.984 -0.264 198 2HH2 ARG 29 2HH2 ARG 29 -9.015 10.301 -1.393 199 H TRP 30 H TRP 30 -5.861 1.069 1.840 200 HA TRP 30 HA TRP 30 -3.704 2.643 3.128 201 1HB TRP 30 2HB TRP 30 -3.894 1.532 5.229 202 2HB TRP 30 1HB TRP 30 -5.540 1.989 4.803 203 HD1 TRP 30 HD1 TRP 30 -6.711 -0.132 3.149 204 HE1 TRP 30 HE1 TRP 30 -6.848 -2.614 3.832 205 HE3 TRP 30 HE3 TRP 30 -3.004 -0.282 6.655 206 HZ2 TRP 30 HZ2 TRP 30 -5.555 -4.422 5.632 207 HZ3 TRP 30 HZ3 TRP 30 -2.479 -2.395 7.839 208 HH2 TRP 30 HH2 TRP 30 -3.749 -4.462 7.331 209 H CYS 31 H CYS 31 -1.866 1.048 3.796 210 HA CYS 31 HA CYS 31 -1.325 -0.696 1.485 211 1HB CYS 31 2HB CYS 31 0.192 0.337 3.880 212 2HB CYS 31 1HB CYS 31 0.881 -0.922 2.854 213 H LYS 32 H LYS 32 -1.814 -2.826 1.502 214 HA LYS 32 HA LYS 32 -1.926 -4.277 4.128 215 1HB LYS 32 2HB LYS 32 -3.792 -5.576 3.066 216 2HB LYS 32 1HB LYS 32 -4.162 -3.861 3.229 217 1HG LYS 32 2HG LYS 32 -3.879 -3.449 0.932 218 2HG LYS 32 1HG LYS 32 -2.923 -4.911 0.692 219 1HD LYS 32 2HD LYS 32 -5.586 -5.507 1.732 220 2HD LYS 32 1HD LYS 32 -5.653 -4.640 0.198 221 1HE LYS 32 2HE LYS 32 -3.595 -6.720 0.173 222 2HE LYS 32 1HE LYS 32 -5.213 -7.377 0.481 223 1HZ LYS 32 1HZ LYS 32 -4.554 -5.440 -1.678 224 2HZ LYS 32 2HZ LYS 32 -6.065 -6.167 -1.400 225 3HZ LYS 32 3HZ LYS 32 -4.747 -7.109 -1.910 226 H TYR 33 H TYR 33 -1.736 -6.760 3.684 227 HA TYR 33 HA TYR 33 0.724 -7.221 2.179 228 1HB TYR 33 2HB TYR 33 -1.091 -8.672 4.031 229 2HB TYR 33 1HB TYR 33 -0.157 -9.682 2.928 230 HD1 TYR 33 HD1 TYR 33 -0.088 -7.915 6.012 231 HD2 TYR 33 HD2 TYR 33 2.397 -9.090 2.709 232 HE1 TYR 33 HE1 TYR 33 1.932 -7.580 7.410 233 HE2 TYR 33 HE2 TYR 33 4.415 -8.755 4.108 234 HH TYR 33 HH TYR 33 4.707 -7.042 6.524 235 H GLU 34 H GLU 34 0.964 -8.429 0.271 236 HA GLU 34 HA GLU 34 -1.235 -8.392 -1.620 237 1HB GLU 34 2HB GLU 34 1.509 -8.430 -1.702 238 2HB GLU 34 1HB GLU 34 1.125 -10.087 -2.169 239 1HG GLU 34 2HG GLU 34 -0.198 -9.367 -4.019 240 2HG GLU 34 1HG GLU 34 -0.232 -7.701 -3.438 241 H ILE 35 H ILE 35 -2.770 -9.952 -1.903 242 HA ILE 35 HA ILE 35 -2.352 -12.631 -0.629 243 HB ILE 35 HB ILE 35 -4.817 -11.067 -1.474 244 1HG1 ILE 35 2HG1 ILE 35 -4.397 -11.925 1.333 245 2HG1 ILE 35 1HG1 ILE 35 -3.260 -10.712 0.745 246 1HG2 ILE 35 1HG2 ILE 35 -5.884 -12.987 -0.004 247 2HG2 ILE 35 2HG2 ILE 35 -4.446 -13.881 -0.497 248 3HG2 ILE 35 3HG2 ILE 35 -5.559 -13.259 -1.716 249 1HD1 ILE 35 1HD1 ILE 35 -5.179 -9.569 1.700 250 2HD1 ILE 35 2HD1 ILE 35 -6.285 -10.522 0.710 251 3HD1 ILE 35 3HD1 ILE 35 -5.209 -9.349 -0.050 252 1HN NH2 36 1HN NH2 36 -2.633 -12.252 -4.653 253 2HN NH2 36 2HN NH2 36 -2.171 -11.014 -3.465 Start of MODEL 18 1 1H GLU 1 1H GLU 1 12.706 8.227 1.732 2 2H GLU 1 2H GLU 1 11.191 8.712 1.139 3 3H GLU 1 3H GLU 1 11.954 7.334 0.502 4 HA GLU 1 HA GLU 1 11.749 6.210 2.661 5 1HB GLU 1 2HB GLU 1 11.021 8.992 3.296 6 2HB GLU 1 1HB GLU 1 9.937 7.802 4.018 7 1HG GLU 1 2HG GLU 1 12.903 7.366 4.185 8 2HG GLU 1 1HG GLU 1 12.137 8.510 5.287 9 H CYS 2 H CYS 2 10.140 4.688 2.477 10 HA CYS 2 HA CYS 2 7.603 5.488 1.081 11 1HB CYS 2 2HB CYS 2 7.672 3.183 0.135 12 2HB CYS 2 1HB CYS 2 9.092 4.123 -0.309 13 H LEU 3 H LEU 3 5.806 3.803 1.575 14 HA LEU 3 HA LEU 3 5.722 3.390 4.526 15 1HB LEU 3 2HB LEU 3 3.642 3.382 2.312 16 2HB LEU 3 1HB LEU 3 3.266 3.109 4.012 17 HG LEU 3 HG LEU 3 4.814 5.559 3.200 18 1HD1 LEU 3 1HD1 LEU 3 2.069 6.238 3.505 19 2HD1 LEU 3 2HD1 LEU 3 2.146 4.922 2.333 20 3HD1 LEU 3 3HD1 LEU 3 3.067 6.401 2.061 21 1HD2 LEU 3 1HD2 LEU 3 3.587 6.448 5.214 22 2HD2 LEU 3 2HD2 LEU 3 4.654 5.090 5.575 23 3HD2 LEU 3 3HD2 LEU 3 2.913 4.835 5.451 24 H GLY 4 H GLY 4 6.312 1.352 5.203 25 1HA GLY 4 2HA GLY 4 6.267 -0.930 3.370 26 2HA GLY 4 1HA GLY 4 6.783 -0.967 5.055 27 H PHE 5 H PHE 5 5.501 -2.973 5.229 28 HA PHE 5 HA PHE 5 2.644 -3.018 4.808 29 1HB PHE 5 2HB PHE 5 4.388 -4.923 5.033 30 2HB PHE 5 1HB PHE 5 4.199 -4.711 6.773 31 HD1 PHE 5 HD1 PHE 5 1.878 -4.768 3.806 32 HD2 PHE 5 HD2 PHE 5 2.755 -6.255 7.740 33 HE1 PHE 5 HE1 PHE 5 -0.186 -6.139 3.749 34 HE2 PHE 5 HE2 PHE 5 0.688 -7.624 7.681 35 HZ PHE 5 HZ PHE 5 -0.781 -7.567 5.685 36 H GLY 6 H GLY 6 0.968 -2.631 6.269 37 1HA GLY 6 2HA GLY 6 -0.094 -1.979 8.276 38 2HA GLY 6 1HA GLY 6 1.460 -2.117 9.102 39 H LYS 7 H LYS 7 0.775 -0.163 6.216 40 HA LYS 7 HA LYS 7 1.052 2.330 7.847 41 1HB LYS 7 2HB LYS 7 2.733 1.307 5.563 42 2HB LYS 7 1HB LYS 7 2.582 3.041 5.835 43 1HG LYS 7 2HG LYS 7 3.265 1.254 8.148 44 2HG LYS 7 1HG LYS 7 4.528 1.699 7.002 45 1HD LYS 7 2HD LYS 7 4.369 3.979 7.511 46 2HD LYS 7 1HD LYS 7 2.738 3.820 8.165 47 1HE LYS 7 2HE LYS 7 3.634 2.553 10.098 48 2HE LYS 7 1HE LYS 7 5.275 2.740 9.450 49 1HZ LYS 7 1HZ LYS 7 4.991 5.137 9.483 50 2HZ LYS 7 2HZ LYS 7 4.743 4.502 11.039 51 3HZ LYS 7 3HZ LYS 7 3.415 4.972 10.089 52 H GLY 8 H GLY 8 -0.497 3.796 7.234 53 1HA GLY 8 2HA GLY 8 -2.440 3.240 5.229 54 2HA GLY 8 1HA GLY 8 -2.199 4.815 5.986 55 H CYS 9 H CYS 9 -2.715 4.094 3.125 56 HA CYS 9 HA CYS 9 -0.434 5.629 1.952 57 1HB CYS 9 2HB CYS 9 -0.437 3.999 0.055 58 2HB CYS 9 1HB CYS 9 -0.002 3.245 1.588 59 H ASN 10 H ASN 10 -1.138 6.024 -0.541 60 HA ASN 10 HA ASN 10 -3.986 6.975 -0.481 61 1HB ASN 10 2HB ASN 10 -1.591 8.386 -0.683 62 2HB ASN 10 1HB ASN 10 -2.149 8.288 -2.353 63 1HD2 ASN 10 1HD2 ASN 10 -4.304 9.233 -2.848 64 2HD2 ASN 10 2HD2 ASN 10 -4.997 10.375 -1.802 65 HA PRO 11 HA PRO 11 -4.465 4.254 -3.955 66 1HB PRO 11 2HB PRO 11 -6.908 5.171 -4.795 67 2HB PRO 11 1HB PRO 11 -6.702 4.114 -3.384 68 1HG PRO 11 2HG PRO 11 -7.111 7.060 -3.495 69 2HG PRO 11 1HG PRO 11 -7.764 5.870 -2.359 70 1HD PRO 11 2HD PRO 11 -5.665 7.504 -1.773 71 2HD PRO 11 1HD PRO 11 -5.886 5.897 -1.047 72 H SER 12 H SER 12 -5.262 7.732 -4.367 73 HA SER 12 HA SER 12 -4.723 7.721 -7.232 74 1HB SER 12 2HB SER 12 -6.219 9.276 -5.818 75 2HB SER 12 1HB SER 12 -4.728 10.084 -5.341 76 HG SER 12 HG SER 12 -5.792 10.978 -7.226 77 H ASN 13 H ASN 13 -2.925 8.722 -4.309 78 HA ASN 13 HA ASN 13 -0.476 9.106 -5.990 79 1HB ASN 13 2HB ASN 13 -1.622 10.870 -4.351 80 2HB ASN 13 1HB ASN 13 -0.721 9.975 -3.128 81 1HD2 ASN 13 1HD2 ASN 13 -0.407 12.164 -5.872 82 2HD2 ASN 13 2HD2 ASN 13 1.267 12.403 -5.727 83 H ASP 14 H ASP 14 -0.613 6.561 -5.844 84 HA ASP 14 HA ASP 14 -0.084 5.145 -3.431 85 1HB ASP 14 2HB ASP 14 -0.730 4.327 -5.776 86 2HB ASP 14 1HB ASP 14 0.979 4.470 -6.186 87 H GLN 15 H GLN 15 1.683 5.246 -2.123 88 HA GLN 15 HA GLN 15 4.373 5.698 -3.331 89 1HB GLN 15 2HB GLN 15 2.895 7.725 -2.224 90 2HB GLN 15 1HB GLN 15 3.805 7.162 -0.821 91 1HG GLN 15 2HG GLN 15 5.764 7.966 -1.628 92 2HG GLN 15 1HG GLN 15 5.435 7.370 -3.254 93 1HE2 GLN 15 1HE2 GLN 15 4.359 8.813 -4.760 94 2HE2 GLN 15 2HE2 GLN 15 4.113 10.456 -4.409 95 H CYS 16 H CYS 16 3.345 3.238 -2.366 96 HA CYS 16 HA CYS 16 4.281 2.857 0.412 97 1HB CYS 16 2HB CYS 16 2.534 1.595 -1.503 98 2HB CYS 16 1HB CYS 16 3.697 0.407 -0.914 99 H CYS 17 H CYS 17 5.749 0.825 0.739 100 HA CYS 17 HA CYS 17 8.264 1.258 -0.655 101 1HB CYS 17 2HB CYS 17 7.246 -0.810 1.317 102 2HB CYS 17 1HB CYS 17 8.924 -0.725 0.784 103 H LYS 18 H LYS 18 9.003 0.219 -2.460 104 HA LYS 18 HA LYS 18 7.311 -1.853 -3.730 105 1HB LYS 18 2HB LYS 18 9.378 0.120 -4.476 106 2HB LYS 18 1HB LYS 18 9.488 -1.405 -5.356 107 1HG LYS 18 2HG LYS 18 6.895 0.129 -5.056 108 2HG LYS 18 1HG LYS 18 7.989 0.360 -6.420 109 1HD LYS 18 2HD LYS 18 7.560 -2.461 -6.011 110 2HD LYS 18 1HD LYS 18 6.003 -1.641 -6.120 111 1HE LYS 18 2HE LYS 18 7.369 -0.414 -8.154 112 2HE LYS 18 1HE LYS 18 8.049 -2.052 -8.214 113 1HZ LYS 18 1HZ LYS 18 6.005 -1.944 -9.493 114 2HZ LYS 18 2HZ LYS 18 5.155 -1.365 -8.141 115 3HZ LYS 18 3HZ LYS 18 5.789 -2.943 -8.139 116 H SER 19 H SER 19 9.470 -2.135 -1.333 117 HA SER 19 HA SER 19 11.452 -3.986 -2.303 118 1HB SER 19 2HB SER 19 11.418 -2.612 -0.160 119 2HB SER 19 1HB SER 19 10.251 -3.768 0.475 120 HG SER 19 HG SER 19 11.832 -5.111 0.803 121 H SER 20 H SER 20 8.230 -4.444 -0.808 122 HA SER 20 HA SER 20 8.407 -7.371 -1.446 123 1HB SER 20 2HB SER 20 6.988 -5.706 0.624 124 2HB SER 20 1HB SER 20 6.415 -7.327 0.246 125 HG SER 20 HG SER 20 8.096 -7.004 1.974 126 H ASN 21 H ASN 21 7.459 -4.867 -3.130 127 HA ASN 21 HA ASN 21 5.774 -4.408 -4.702 128 1HB ASN 21 2HB ASN 21 6.630 -6.814 -5.158 129 2HB ASN 21 1HB ASN 21 5.105 -7.341 -4.444 130 1HD2 ASN 21 1HD2 ASN 21 6.325 -5.082 -6.988 131 2HD2 ASN 21 2HD2 ASN 21 4.992 -5.297 -8.017 132 H LEU 22 H LEU 22 4.791 -3.426 -2.514 133 HA LEU 22 HA LEU 22 2.258 -4.797 -1.748 134 1HB LEU 22 2HB LEU 22 3.919 -2.506 -0.689 135 2HB LEU 22 1HB LEU 22 2.289 -2.808 -0.087 136 HG LEU 22 HG LEU 22 4.058 -5.184 -0.230 137 1HD1 LEU 22 1HD1 LEU 22 4.489 -2.966 1.797 138 2HD1 LEU 22 2HD1 LEU 22 5.645 -3.486 0.570 139 3HD1 LEU 22 3HD1 LEU 22 5.202 -4.577 1.883 140 1HD2 LEU 22 1HD2 LEU 22 2.041 -4.008 1.695 141 2HD2 LEU 22 2HD2 LEU 22 2.995 -5.436 2.095 142 3HD2 LEU 22 3HD2 LEU 22 1.888 -5.470 0.722 143 H VAL 23 H VAL 23 0.238 -3.551 -1.782 144 HA VAL 23 HA VAL 23 0.238 -1.282 -3.747 145 HB VAL 23 HB VAL 23 -1.893 -2.275 -4.611 146 1HG1 VAL 23 1HG1 VAL 23 0.270 -4.373 -4.686 147 2HG1 VAL 23 2HG1 VAL 23 0.483 -2.814 -5.482 148 3HG1 VAL 23 3HG1 VAL 23 -0.833 -3.882 -5.971 149 1HG2 VAL 23 1HG2 VAL 23 -2.383 -3.528 -2.455 150 2HG2 VAL 23 2HG2 VAL 23 -1.147 -4.690 -2.934 151 3HG2 VAL 23 3HG2 VAL 23 -2.590 -4.478 -3.926 152 H CYS 24 H CYS 24 -1.640 0.176 -3.491 153 HA CYS 24 HA CYS 24 -2.350 0.533 -0.643 154 1HB CYS 24 2HB CYS 24 -1.541 2.307 -2.340 155 2HB CYS 24 1HB CYS 24 -3.173 2.232 -3.004 156 H SER 25 H SER 25 -4.309 -0.079 0.182 157 HA SER 25 HA SER 25 -6.356 -1.214 -1.633 158 1HB SER 25 2HB SER 25 -7.252 -2.116 0.413 159 2HB SER 25 1HB SER 25 -5.501 -2.255 0.519 160 HG SER 25 HG SER 25 -6.836 -1.266 2.343 161 H ARG 26 H ARG 26 -8.736 -0.671 -0.570 162 HA ARG 26 HA ARG 26 -8.952 2.325 -0.593 163 1HB ARG 26 2HB ARG 26 -10.318 0.103 -1.996 164 2HB ARG 26 1HB ARG 26 -11.392 1.369 -1.395 165 1HG ARG 26 2HG ARG 26 -8.946 2.378 -2.699 166 2HG ARG 26 1HG ARG 26 -10.027 1.489 -3.774 167 1HD ARG 26 2HD ARG 26 -11.138 3.597 -1.918 168 2HD ARG 26 1HD ARG 26 -10.439 4.048 -3.487 169 HE ARG 26 HE ARG 26 -12.176 1.834 -3.919 170 1HH1 ARG 26 2HH1 ARG 26 -14.030 3.134 -2.081 171 2HH1 ARG 26 1HH1 ARG 26 -14.846 4.293 -3.076 172 1HH2 ARG 26 1HH2 ARG 26 -12.457 4.194 -5.601 173 2HH2 ARG 26 2HH2 ARG 26 -13.951 4.896 -5.076 174 H ALA 27 H ALA 27 -10.482 -0.668 0.670 175 HA ALA 27 HA ALA 27 -12.311 0.596 2.469 176 1HB ALA 27 1HB ALA 27 -12.444 -1.747 1.770 177 2HB ALA 27 2HB ALA 27 -12.316 -1.664 3.526 178 3HB ALA 27 3HB ALA 27 -10.903 -2.089 2.558 179 H HIS 28 H HIS 28 -9.022 -0.678 3.020 180 HA HIS 28 HA HIS 28 -8.980 0.620 5.708 181 1HB HIS 28 2HB HIS 28 -7.224 -1.431 4.323 182 2HB HIS 28 1HB HIS 28 -6.927 -0.822 5.952 183 HD1 HIS 28 HD1 HIS 28 -9.753 -0.776 7.103 184 HD2 HIS 28 HD2 HIS 28 -8.298 -3.944 4.814 185 HE1 HIS 28 HE1 HIS 28 -11.165 -2.793 7.694 186 H ARG 29 H ARG 29 -7.725 0.989 2.483 187 HA ARG 29 HA ARG 29 -6.206 2.518 1.538 188 1HB ARG 29 2HB ARG 29 -7.929 3.769 3.323 189 2HB ARG 29 1HB ARG 29 -6.344 4.370 3.810 190 1HG ARG 29 2HG ARG 29 -5.934 5.368 1.743 191 2HG ARG 29 1HG ARG 29 -7.053 4.301 0.893 192 1HD ARG 29 2HD ARG 29 -8.947 5.422 2.150 193 2HD ARG 29 1HD ARG 29 -7.761 6.606 2.735 194 HE ARG 29 HE ARG 29 -7.996 6.109 -0.201 195 1HH1 ARG 29 1HH2 ARG 29 -10.170 7.900 0.616 196 2HH1 ARG 29 2HH2 ARG 29 -9.439 9.469 0.565 197 1HH2 ARG 29 2HH1 ARG 29 -6.187 8.242 0.583 198 2HH2 ARG 29 1HH1 ARG 29 -7.175 9.664 0.546 199 H TRP 30 H TRP 30 -4.701 0.586 2.494 200 HA TRP 30 HA TRP 30 -2.390 1.972 3.738 201 1HB TRP 30 2HB TRP 30 -2.271 0.446 5.589 202 2HB TRP 30 1HB TRP 30 -3.946 0.986 5.515 203 HD1 TRP 30 HD1 TRP 30 -5.449 -0.746 3.716 204 HE1 TRP 30 HE1 TRP 30 -5.555 -3.317 3.876 205 HE3 TRP 30 HE3 TRP 30 -1.215 -1.629 6.418 206 HZ2 TRP 30 HZ2 TRP 30 -4.043 -5.464 5.006 207 HZ3 TRP 30 HZ3 TRP 30 -0.570 -3.945 7.024 208 HH2 TRP 30 HH2 TRP 30 -1.979 -5.859 6.323 209 H CYS 31 H CYS 31 -0.533 0.192 3.936 210 HA CYS 31 HA CYS 31 -0.109 -0.880 1.255 211 1HB CYS 31 2HB CYS 31 1.420 -0.005 3.405 212 2HB CYS 31 1HB CYS 31 1.700 -1.746 3.395 213 H LYS 32 H LYS 32 -1.143 -2.752 0.677 214 HA LYS 32 HA LYS 32 -1.214 -5.004 2.664 215 1HB LYS 32 2HB LYS 32 -3.380 -5.604 1.615 216 2HB LYS 32 1HB LYS 32 -3.420 -3.967 2.266 217 1HG LYS 32 2HG LYS 32 -3.757 -3.061 0.224 218 2HG LYS 32 1HG LYS 32 -2.465 -4.019 -0.496 219 1HD LYS 32 2HD LYS 32 -3.886 -5.753 -1.081 220 2HD LYS 32 1HD LYS 32 -5.022 -5.401 0.221 221 1HE LYS 32 2HE LYS 32 -6.090 -3.713 -0.981 222 2HE LYS 32 1HE LYS 32 -4.658 -3.373 -1.971 223 1HZ LYS 32 1HZ LYS 32 -6.209 -5.907 -2.068 224 2HZ LYS 32 2HZ LYS 32 -4.906 -5.477 -3.071 225 3HZ LYS 32 3HZ LYS 32 -6.381 -4.640 -3.181 226 H TYR 33 H TYR 33 -1.387 -7.183 1.515 227 HA TYR 33 HA TYR 33 0.576 -7.279 -0.706 228 1HB TYR 33 2HB TYR 33 -0.555 -9.084 1.374 229 2HB TYR 33 1HB TYR 33 -0.038 -9.854 -0.127 230 HD1 TYR 33 HD1 TYR 33 1.081 -7.601 2.624 231 HD2 TYR 33 HD2 TYR 33 2.269 -10.143 -0.631 232 HE1 TYR 33 HE1 TYR 33 3.444 -7.426 3.349 233 HE2 TYR 33 HE2 TYR 33 4.633 -9.968 0.096 234 HH TYR 33 HH TYR 33 5.723 -7.655 2.269 235 H GLU 34 H GLU 34 0.074 -8.849 -2.533 236 HA GLU 34 HA GLU 34 -2.769 -8.500 -3.418 237 1HB GLU 34 2HB GLU 34 -0.646 -7.530 -4.607 238 2HB GLU 34 1HB GLU 34 -0.413 -9.185 -5.170 239 1HG GLU 34 2HG GLU 34 -2.361 -9.172 -6.447 240 2HG GLU 34 1HG GLU 34 -3.115 -7.913 -5.468 241 H ILE 35 H ILE 35 -3.956 -10.323 -3.978 242 HA ILE 35 HA ILE 35 -2.883 -12.957 -3.226 243 HB ILE 35 HB ILE 35 -5.552 -12.023 -4.351 244 1HG1 ILE 35 2HG1 ILE 35 -5.000 -12.909 -1.523 245 2HG1 ILE 35 1HG1 ILE 35 -4.672 -11.246 -2.010 246 1HG2 ILE 35 1HG2 ILE 35 -6.406 -14.201 -3.573 247 2HG2 ILE 35 2HG2 ILE 35 -4.782 -14.666 -3.065 248 3HG2 ILE 35 3HG2 ILE 35 -5.135 -14.428 -4.777 249 1HD1 ILE 35 1HD1 ILE 35 -7.273 -12.645 -1.689 250 2HD1 ILE 35 2HD1 ILE 35 -7.148 -11.536 -3.056 251 3HD1 ILE 35 3HD1 ILE 35 -6.864 -10.951 -1.416 252 1HN NH2 36 1HN NH2 36 -2.801 -12.147 -7.212 253 2HN NH2 36 2HN NH2 36 -2.901 -10.981 -5.874 Start of MODEL 19 1 1H GLU 1 1H GLU 1 12.381 8.427 -0.166 2 2H GLU 1 2H GLU 1 10.758 8.809 -0.493 3 3H GLU 1 3H GLU 1 11.600 7.732 -1.502 4 HA GLU 1 HA GLU 1 11.779 6.128 0.317 5 1HB GLU 1 2HB GLU 1 10.985 8.563 1.706 6 2HB GLU 1 1HB GLU 1 9.966 7.201 2.172 7 1HG GLU 1 2HG GLU 1 11.991 5.854 2.640 8 2HG GLU 1 1HG GLU 1 12.999 7.234 2.206 9 H CYS 2 H CYS 2 9.934 4.671 0.856 10 HA CYS 2 HA CYS 2 7.466 5.276 -0.749 11 1HB CYS 2 2HB CYS 2 7.529 2.909 -1.424 12 2HB CYS 2 1HB CYS 2 9.051 3.697 -1.837 13 H LEU 3 H LEU 3 5.550 3.967 -0.011 14 HA LEU 3 HA LEU 3 5.477 3.821 2.957 15 1HB LEU 3 2HB LEU 3 3.357 3.677 0.785 16 2HB LEU 3 1HB LEU 3 3.012 3.675 2.514 17 HG LEU 3 HG LEU 3 4.590 5.874 1.156 18 1HD1 LEU 3 1HD1 LEU 3 1.650 5.890 1.896 19 2HD1 LEU 3 2HD1 LEU 3 2.251 5.670 0.253 20 3HD1 LEU 3 3HD1 LEU 3 2.550 7.184 1.107 21 1HD2 LEU 3 1HD2 LEU 3 3.610 5.282 3.897 22 2HD2 LEU 3 2HD2 LEU 3 3.413 6.949 3.357 23 3HD2 LEU 3 3HD2 LEU 3 5.016 6.214 3.383 24 H GLY 4 H GLY 4 5.845 1.855 3.903 25 1HA GLY 4 2HA GLY 4 5.299 -0.615 2.318 26 2HA GLY 4 1HA GLY 4 6.401 -0.520 3.690 27 H PHE 5 H PHE 5 5.229 -2.339 4.625 28 HA PHE 5 HA PHE 5 2.439 -2.384 5.219 29 1HB PHE 5 2HB PHE 5 4.331 -4.177 5.347 30 2HB PHE 5 1HB PHE 5 4.587 -3.563 6.980 31 HD1 PHE 5 HD1 PHE 5 2.968 -3.943 8.739 32 HD2 PHE 5 HD2 PHE 5 2.176 -5.225 4.716 33 HE1 PHE 5 HE1 PHE 5 1.052 -5.293 9.546 34 HE2 PHE 5 HE2 PHE 5 0.260 -6.574 5.524 35 HZ PHE 5 HZ PHE 5 -0.301 -6.609 7.938 36 H GLY 6 H GLY 6 1.244 -1.464 6.871 37 1HA GLY 6 2HA GLY 6 1.005 -0.605 9.146 38 2HA GLY 6 1HA GLY 6 2.695 -0.102 9.095 39 H LYS 7 H LYS 7 2.866 1.292 6.737 40 HA LYS 7 HA LYS 7 1.511 3.789 7.393 41 1HB LYS 7 2HB LYS 7 3.286 2.835 5.125 42 2HB LYS 7 1HB LYS 7 2.732 4.503 5.279 43 1HG LYS 7 2HG LYS 7 3.683 3.949 7.816 44 2HG LYS 7 1HG LYS 7 4.820 3.086 6.781 45 1HD LYS 7 2HD LYS 7 5.532 5.031 5.710 46 2HD LYS 7 1HD LYS 7 4.044 5.901 6.082 47 1HE LYS 7 2HE LYS 7 4.941 6.722 7.994 48 2HE LYS 7 1HE LYS 7 5.395 5.094 8.531 49 1HZ LYS 7 1HZ LYS 7 6.877 6.721 6.529 50 2HZ LYS 7 2HZ LYS 7 7.307 5.166 7.064 51 3HZ LYS 7 3HZ LYS 7 7.354 6.481 8.138 52 H GLY 8 H GLY 8 0.284 5.001 5.598 53 1HA GLY 8 2HA GLY 8 -1.322 3.138 3.903 54 2HA GLY 8 1HA GLY 8 -2.138 4.315 4.929 55 H CYS 9 H CYS 9 -2.420 4.241 2.104 56 HA CYS 9 HA CYS 9 -1.480 6.977 1.438 57 1HB CYS 9 2HB CYS 9 -0.204 6.304 -0.409 58 2HB CYS 9 1HB CYS 9 0.141 5.019 0.745 59 H ASN 10 H ASN 10 -2.332 7.280 -1.080 60 HA ASN 10 HA ASN 10 -5.223 7.192 -0.915 61 1HB ASN 10 2HB ASN 10 -3.108 8.009 -2.878 62 2HB ASN 10 1HB ASN 10 -4.768 7.862 -3.456 63 1HD2 ASN 10 1HD2 ASN 10 -6.182 9.587 -2.981 64 2HD2 ASN 10 2HD2 ASN 10 -5.805 10.865 -1.931 65 HA PRO 11 HA PRO 11 -5.850 3.164 -2.636 66 1HB PRO 11 2HB PRO 11 -8.447 3.456 -3.458 67 2HB PRO 11 1HB PRO 11 -7.985 3.253 -1.756 68 1HG PRO 11 2HG PRO 11 -8.724 5.722 -3.236 69 2HG PRO 11 1HG PRO 11 -9.091 5.249 -1.570 70 1HD PRO 11 2HD PRO 11 -7.129 7.031 -2.253 71 2HD PRO 11 1HD PRO 11 -7.110 6.054 -0.769 72 H SER 12 H SER 12 -7.074 5.918 -4.597 73 HA SER 12 HA SER 12 -6.835 4.477 -7.122 74 1HB SER 12 2HB SER 12 -7.358 6.758 -8.027 75 2HB SER 12 1HB SER 12 -8.478 6.252 -6.768 76 HG SER 12 HG SER 12 -7.837 7.894 -5.636 77 H ASN 13 H ASN 13 -4.981 7.123 -5.567 78 HA ASN 13 HA ASN 13 -2.753 6.650 -7.510 79 1HB ASN 13 2HB ASN 13 -3.525 8.950 -5.683 80 2HB ASN 13 1HB ASN 13 -2.046 8.927 -6.643 81 1HD2 ASN 13 1HD2 ASN 13 -2.380 8.661 -9.086 82 2HD2 ASN 13 2HD2 ASN 13 -3.782 9.326 -9.772 83 H ASP 14 H ASP 14 -2.532 4.625 -5.947 84 HA ASP 14 HA ASP 14 -1.361 5.151 -3.321 85 1HB ASP 14 2HB ASP 14 -1.228 2.726 -3.222 86 2HB ASP 14 1HB ASP 14 -2.766 3.167 -3.958 87 H GLN 15 H GLN 15 0.803 5.067 -2.755 88 HA GLN 15 HA GLN 15 2.806 4.630 -4.945 89 1HB GLN 15 2HB GLN 15 2.209 7.056 -4.197 90 2HB GLN 15 1HB GLN 15 3.099 6.661 -2.726 91 1HG GLN 15 2HG GLN 15 5.123 6.297 -3.917 92 2HG GLN 15 1HG GLN 15 4.288 6.219 -5.468 93 1HE2 GLN 15 1HE2 GLN 15 4.761 8.080 -6.651 94 2HE2 GLN 15 2HE2 GLN 15 4.849 9.647 -6.006 95 H CYS 16 H CYS 16 2.028 2.598 -3.157 96 HA CYS 16 HA CYS 16 3.750 2.495 -0.804 97 1HB CYS 16 2HB CYS 16 1.720 0.863 -2.201 98 2HB CYS 16 1HB CYS 16 2.943 -0.078 -1.349 99 H CYS 17 H CYS 17 5.342 0.594 -0.581 100 HA CYS 17 HA CYS 17 7.302 0.721 -2.749 101 1HB CYS 17 2HB CYS 17 7.239 0.205 0.019 102 2HB CYS 17 1HB CYS 17 7.776 -1.304 -0.719 103 H LYS 18 H LYS 18 7.425 -0.686 -4.441 104 HA LYS 18 HA LYS 18 5.599 -2.980 -4.617 105 1HB LYS 18 2HB LYS 18 6.380 -3.058 -6.900 106 2HB LYS 18 1HB LYS 18 6.211 -1.358 -6.468 107 1HG LYS 18 2HG LYS 18 8.761 -1.669 -5.734 108 2HG LYS 18 1HG LYS 18 8.692 -2.960 -6.932 109 1HD LYS 18 2HD LYS 18 9.190 -1.261 -8.380 110 2HD LYS 18 1HD LYS 18 7.449 -0.988 -8.312 111 1HE LYS 18 2HE LYS 18 8.597 0.342 -6.057 112 2HE LYS 18 1HE LYS 18 9.541 0.796 -7.489 113 1HZ LYS 18 1HZ LYS 18 7.582 2.203 -7.272 114 2HZ LYS 18 2HZ LYS 18 6.572 0.836 -7.283 115 3HZ LYS 18 3HZ LYS 18 7.472 1.245 -8.666 116 H SER 19 H SER 19 8.753 -2.526 -3.375 117 HA SER 19 HA SER 19 10.090 -4.931 -4.146 118 1HB SER 19 2HB SER 19 10.712 -2.700 -2.769 119 2HB SER 19 1HB SER 19 10.449 -3.790 -1.410 120 HG SER 19 HG SER 19 12.478 -3.704 -3.240 121 H SER 20 H SER 20 7.883 -4.240 -1.414 122 HA SER 20 HA SER 20 7.988 -7.114 -0.609 123 1HB SER 20 2HB SER 20 7.391 -4.490 0.651 124 2HB SER 20 1HB SER 20 6.454 -5.858 1.245 125 HG SER 20 HG SER 20 8.200 -6.657 2.122 126 H ASN 21 H ASN 21 6.387 -5.747 -2.963 127 HA ASN 21 HA ASN 21 4.246 -5.939 -3.932 128 1HB ASN 21 2HB ASN 21 4.675 -8.421 -2.267 129 2HB ASN 21 1HB ASN 21 3.215 -8.230 -3.236 130 1HD2 ASN 21 1HD2 ASN 21 3.492 -9.378 -5.160 131 2HD2 ASN 21 2HD2 ASN 21 4.911 -9.384 -6.092 132 H LEU 22 H LEU 22 3.979 -4.052 -2.058 133 HA LEU 22 HA LEU 22 1.657 -4.854 -0.335 134 1HB LEU 22 2HB LEU 22 3.660 -2.579 -0.148 135 2HB LEU 22 1HB LEU 22 2.335 -2.843 0.984 136 HG LEU 22 HG LEU 22 4.436 -4.943 0.409 137 1HD1 LEU 22 1HD1 LEU 22 4.336 -2.955 2.697 138 2HD1 LEU 22 2HD1 LEU 22 5.472 -2.883 1.350 139 3HD1 LEU 22 3HD1 LEU 22 5.530 -4.234 2.483 140 1HD2 LEU 22 1HD2 LEU 22 2.582 -5.988 1.406 141 2HD2 LEU 22 2HD2 LEU 22 2.195 -4.577 2.390 142 3HD2 LEU 22 3HD2 LEU 22 3.582 -5.586 2.802 143 H VAL 23 H VAL 23 -0.286 -3.763 -0.608 144 HA VAL 23 HA VAL 23 -0.340 -1.452 -2.520 145 HB VAL 23 HB VAL 23 -2.389 -2.471 -3.491 146 1HG1 VAL 23 1HG1 VAL 23 -1.283 -4.165 -4.770 147 2HG1 VAL 23 2HG1 VAL 23 -0.146 -4.502 -3.465 148 3HG1 VAL 23 3HG1 VAL 23 -0.046 -2.980 -4.350 149 1HG2 VAL 23 1HG2 VAL 23 -1.717 -4.796 -1.656 150 2HG2 VAL 23 2HG2 VAL 23 -2.976 -4.794 -2.889 151 3HG2 VAL 23 3HG2 VAL 23 -3.112 -3.730 -1.490 152 H CYS 24 H CYS 24 -1.931 0.128 -2.041 153 HA CYS 24 HA CYS 24 -2.813 0.264 0.733 154 1HB CYS 24 2HB CYS 24 -2.999 1.933 -1.757 155 2HB CYS 24 1HB CYS 24 -4.002 2.353 -0.368 156 H SER 25 H SER 25 -4.944 0.026 1.520 157 HA SER 25 HA SER 25 -6.765 -1.566 -0.167 158 1HB SER 25 2HB SER 25 -7.866 -2.018 1.911 159 2HB SER 25 1HB SER 25 -6.146 -1.980 2.280 160 HG SER 25 HG SER 25 -7.730 -0.719 3.637 161 H ARG 26 H ARG 26 -9.271 -0.830 0.573 162 HA ARG 26 HA ARG 26 -9.522 1.939 -0.545 163 1HB ARG 26 2HB ARG 26 -10.641 -0.583 -1.177 164 2HB ARG 26 1HB ARG 26 -11.955 0.372 -0.492 165 1HG ARG 26 2HG ARG 26 -10.602 2.159 -2.168 166 2HG ARG 26 1HG ARG 26 -10.630 0.645 -3.072 167 1HD ARG 26 2HD ARG 26 -12.844 0.875 -3.507 168 2HD ARG 26 1HD ARG 26 -13.204 1.147 -1.791 169 HE ARG 26 HE ARG 26 -12.426 3.269 -3.736 170 1HH1 ARG 26 2HH1 ARG 26 -11.369 3.966 -1.073 171 2HH1 ARG 26 1HH1 ARG 26 -12.698 4.788 -0.325 172 1HH2 ARG 26 1HH2 ARG 26 -15.054 3.588 -2.580 173 2HH2 ARG 26 2HH2 ARG 26 -14.790 4.573 -1.180 174 H ALA 27 H ALA 27 -10.723 -0.204 2.045 175 HA ALA 27 HA ALA 27 -12.494 1.799 3.204 176 1HB ALA 27 1HB ALA 27 -12.977 -0.530 3.511 177 2HB ALA 27 2HB ALA 27 -12.474 0.071 5.091 178 3HB ALA 27 3HB ALA 27 -11.346 -0.854 4.100 179 H HIS 28 H HIS 28 -9.443 0.334 4.365 180 HA HIS 28 HA HIS 28 -9.060 2.572 6.271 181 1HB HIS 28 2HB HIS 28 -7.636 -0.045 5.704 182 2HB HIS 28 1HB HIS 28 -7.112 1.089 6.949 183 HD1 HIS 28 HD1 HIS 28 -9.369 -1.705 6.413 184 HD2 HIS 28 HD2 HIS 28 -9.328 1.634 8.909 185 HE1 HIS 28 HE1 HIS 28 -11.035 -2.171 8.263 186 H ARG 29 H ARG 29 -8.070 1.738 3.073 187 HA ARG 29 HA ARG 29 -6.456 2.645 1.617 188 1HB ARG 29 2HB ARG 29 -6.894 4.862 3.641 189 2HB ARG 29 1HB ARG 29 -5.990 5.086 2.145 190 1HG ARG 29 2HG ARG 29 -7.923 5.427 1.047 191 2HG ARG 29 1HG ARG 29 -8.425 3.787 1.455 192 1HD ARG 29 2HD ARG 29 -10.128 5.254 2.331 193 2HD ARG 29 1HD ARG 29 -9.164 4.738 3.729 194 HE ARG 29 HE ARG 29 -8.414 7.257 2.318 195 1HH1 ARG 29 2HH1 ARG 29 -7.133 6.398 4.905 196 2HH1 ARG 29 1HH1 ARG 29 -7.993 7.354 6.065 197 1HH2 ARG 29 1HH2 ARG 29 -10.585 8.143 3.892 198 2HH2 ARG 29 2HH2 ARG 29 -9.950 8.343 5.490 199 H TRP 30 H TRP 30 -5.428 0.920 3.664 200 HA TRP 30 HA TRP 30 -2.822 2.229 4.345 201 1HB TRP 30 2HB TRP 30 -2.845 0.999 6.330 202 2HB TRP 30 1HB TRP 30 -4.565 1.279 6.086 203 HD1 TRP 30 HD1 TRP 30 -5.631 -0.832 4.345 204 HE1 TRP 30 HE1 TRP 30 -5.404 -3.358 4.798 205 HE3 TRP 30 HE3 TRP 30 -1.616 -0.793 7.485 206 HZ2 TRP 30 HZ2 TRP 30 -3.730 -5.130 6.299 207 HZ3 TRP 30 HZ3 TRP 30 -0.722 -2.911 8.413 208 HH2 TRP 30 HH2 TRP 30 -1.775 -5.077 7.824 209 H CYS 31 H CYS 31 -0.897 0.908 4.089 210 HA CYS 31 HA CYS 31 -0.911 -0.719 1.671 211 1HB CYS 31 2HB CYS 31 0.870 0.890 2.910 212 2HB CYS 31 1HB CYS 31 1.419 -0.667 3.529 213 H LYS 32 H LYS 32 -1.171 -2.906 1.572 214 HA LYS 32 HA LYS 32 -0.636 -4.552 4.018 215 1HB LYS 32 2HB LYS 32 -2.771 -5.731 3.552 216 2HB LYS 32 1HB LYS 32 -3.038 -4.015 3.850 217 1HG LYS 32 2HG LYS 32 -3.751 -3.628 1.724 218 2HG LYS 32 1HG LYS 32 -2.534 -4.690 1.020 219 1HD LYS 32 2HD LYS 32 -4.370 -5.993 0.586 220 2HD LYS 32 1HD LYS 32 -4.067 -6.545 2.234 221 1HE LYS 32 2HE LYS 32 -6.299 -5.964 2.469 222 2HE LYS 32 1HE LYS 32 -5.585 -4.369 2.779 223 1HZ LYS 32 1HZ LYS 32 -5.738 -3.866 0.425 224 2HZ LYS 32 2HZ LYS 32 -7.275 -4.264 1.031 225 3HZ LYS 32 3HZ LYS 32 -6.405 -5.394 0.108 226 H TYR 33 H TYR 33 -0.282 -6.862 3.491 227 HA TYR 33 HA TYR 33 1.200 -7.202 0.977 228 1HB TYR 33 2HB TYR 33 1.355 -8.186 3.552 229 2HB TYR 33 1HB TYR 33 0.665 -9.553 2.679 230 HD1 TYR 33 HD1 TYR 33 3.672 -7.903 3.541 231 HD2 TYR 33 HD2 TYR 33 1.812 -10.087 0.343 232 HE1 TYR 33 HE1 TYR 33 5.905 -8.423 2.599 233 HE2 TYR 33 HE2 TYR 33 4.047 -10.608 -0.599 234 HH TYR 33 HH TYR 33 6.681 -10.645 0.826 235 H GLU 34 H GLU 34 -0.337 -7.209 -0.718 236 HA GLU 34 HA GLU 34 -2.623 -9.113 -0.573 237 1HB GLU 34 2HB GLU 34 -2.685 -6.646 -1.348 238 2HB GLU 34 1HB GLU 34 -1.886 -7.217 -2.813 239 1HG GLU 34 2HG GLU 34 -3.747 -8.336 -3.559 240 2HG GLU 34 1HG GLU 34 -4.280 -8.751 -1.930 241 H ILE 35 H ILE 35 -2.902 -10.729 -2.260 242 HA ILE 35 HA ILE 35 -0.400 -11.967 -3.142 243 HB ILE 35 HB ILE 35 -3.344 -12.577 -3.591 244 1HG1 ILE 35 2HG1 ILE 35 -1.479 -14.225 -1.921 245 2HG1 ILE 35 1HG1 ILE 35 -2.067 -12.704 -1.251 246 1HG2 ILE 35 1HG2 ILE 35 -2.310 -14.919 -4.097 247 2HG2 ILE 35 2HG2 ILE 35 -0.831 -14.016 -4.427 248 3HG2 ILE 35 3HG2 ILE 35 -2.287 -13.697 -5.370 249 1HD1 ILE 35 1HD1 ILE 35 -3.765 -14.995 -2.281 250 2HD1 ILE 35 2HD1 ILE 35 -4.405 -13.438 -1.754 251 3HD1 ILE 35 3HD1 ILE 35 -3.587 -14.492 -0.600 252 1HN NH2 36 1HN NH2 36 -0.465 -11.419 -6.722 253 2HN NH2 36 2HN NH2 36 -0.299 -12.761 -5.568 Start of MODEL 20 1 1H GLU 1 1H GLU 1 13.308 4.222 0.420 2 2H GLU 1 2H GLU 1 13.577 2.574 0.732 3 3H GLU 1 3H GLU 1 14.544 3.751 1.482 4 HA GLU 1 HA GLU 1 12.963 2.952 3.093 5 1HB GLU 1 2HB GLU 1 12.680 5.694 1.875 6 2HB GLU 1 1HB GLU 1 11.720 5.257 3.289 7 1HG GLU 1 2HG GLU 1 13.495 5.636 4.617 8 2HG GLU 1 1HG GLU 1 14.404 4.394 3.757 9 H CYS 2 H CYS 2 10.964 2.004 3.421 10 HA CYS 2 HA CYS 2 8.801 2.515 1.415 11 1HB CYS 2 2HB CYS 2 8.456 0.139 1.188 12 2HB CYS 2 1HB CYS 2 10.182 0.428 0.974 13 H LEU 3 H LEU 3 6.647 1.777 2.232 14 HA LEU 3 HA LEU 3 6.389 2.310 5.156 15 1HB LEU 3 2HB LEU 3 4.481 2.353 2.794 16 2HB LEU 3 1HB LEU 3 3.980 2.675 4.453 17 HG LEU 3 HG LEU 3 6.238 4.205 3.151 18 1HD1 LEU 3 1HD1 LEU 3 3.290 4.928 3.209 19 2HD1 LEU 3 2HD1 LEU 3 4.202 4.474 1.770 20 3HD1 LEU 3 3HD1 LEU 3 4.593 5.965 2.627 21 1HD2 LEU 3 1HD2 LEU 3 6.188 4.451 5.532 22 2HD2 LEU 3 2HD2 LEU 3 4.431 4.593 5.551 23 3HD2 LEU 3 3HD2 LEU 3 5.415 5.900 4.890 24 H GLY 4 H GLY 4 4.819 0.973 6.380 25 1HA GLY 4 2HA GLY 4 4.739 -1.842 5.368 26 2HA GLY 4 1HA GLY 4 4.792 -1.403 7.075 27 H PHE 5 H PHE 5 2.833 -2.678 7.379 28 HA PHE 5 HA PHE 5 0.353 -1.834 6.035 29 1HB PHE 5 2HB PHE 5 0.757 -4.178 6.578 30 2HB PHE 5 1HB PHE 5 1.014 -3.778 8.275 31 HD1 PHE 5 HD1 PHE 5 -1.547 -3.623 5.551 32 HD2 PHE 5 HD2 PHE 5 -0.794 -3.708 9.780 33 HE1 PHE 5 HE1 PHE 5 -3.980 -3.842 5.981 34 HE2 PHE 5 HE2 PHE 5 -3.226 -3.925 10.209 35 HZ PHE 5 HZ PHE 5 -4.819 -3.992 8.310 36 H GLY 6 H GLY 6 -1.207 -0.487 6.930 37 1HA GLY 6 2HA GLY 6 -2.344 0.468 8.898 38 2HA GLY 6 1HA GLY 6 -0.794 0.448 9.739 39 H LYS 7 H LYS 7 0.861 1.547 7.748 40 HA LYS 7 HA LYS 7 0.390 4.367 8.081 41 1HB LYS 7 2HB LYS 7 2.428 2.592 7.192 42 2HB LYS 7 1HB LYS 7 2.169 3.757 5.894 43 1HG LYS 7 2HG LYS 7 2.425 4.663 8.759 44 2HG LYS 7 1HG LYS 7 3.854 4.385 7.764 45 1HD LYS 7 2HD LYS 7 3.575 6.499 7.009 46 2HD LYS 7 1HD LYS 7 2.192 5.881 6.105 47 1HE LYS 7 2HE LYS 7 1.131 7.558 7.319 48 2HE LYS 7 1HE LYS 7 0.986 6.234 8.490 49 1HZ LYS 7 1HZ LYS 7 1.977 8.177 9.531 50 2HZ LYS 7 2HZ LYS 7 3.208 8.208 8.361 51 3HZ LYS 7 3HZ LYS 7 3.107 6.914 9.458 52 H GLY 8 H GLY 8 -0.506 5.869 6.657 53 1HA GLY 8 2HA GLY 8 -2.181 4.805 4.491 54 2HA GLY 8 1HA GLY 8 -2.152 6.476 5.049 55 H CYS 9 H CYS 9 -1.863 5.167 2.295 56 HA CYS 9 HA CYS 9 0.374 6.891 1.390 57 1HB CYS 9 2HB CYS 9 1.390 4.984 0.166 58 2HB CYS 9 1HB CYS 9 1.368 4.687 1.904 59 H ASN 10 H ASN 10 0.144 7.483 -0.837 60 HA ASN 10 HA ASN 10 -2.587 7.182 -1.900 61 1HB ASN 10 2HB ASN 10 -1.892 8.929 -3.415 62 2HB ASN 10 1HB ASN 10 -1.239 9.320 -1.828 63 1HD2 ASN 10 1HD2 ASN 10 -0.253 9.939 -4.691 64 2HD2 ASN 10 2HD2 ASN 10 1.369 9.441 -4.679 65 HA PRO 11 HA PRO 11 -1.672 3.940 -4.727 66 1HB PRO 11 2HB PRO 11 -3.496 4.482 -6.694 67 2HB PRO 11 1HB PRO 11 -3.944 3.803 -5.116 68 1HG PRO 11 2HG PRO 11 -4.142 6.606 -6.098 69 2HG PRO 11 1HG PRO 11 -5.259 5.684 -5.079 70 1HD PRO 11 2HD PRO 11 -3.516 7.543 -4.107 71 2HD PRO 11 1HD PRO 11 -4.107 6.160 -3.161 72 H SER 12 H SER 12 -1.801 7.260 -6.037 73 HA SER 12 HA SER 12 -0.639 6.819 -8.593 74 1HB SER 12 2HB SER 12 -0.617 9.102 -6.614 75 2HB SER 12 1HB SER 12 0.159 9.247 -8.188 76 HG SER 12 HG SER 12 -1.740 9.398 -9.077 77 H ASN 13 H ASN 13 0.913 7.286 -5.419 78 HA ASN 13 HA ASN 13 3.487 6.330 -6.618 79 1HB ASN 13 2HB ASN 13 3.244 8.867 -6.205 80 2HB ASN 13 1HB ASN 13 3.257 8.468 -4.487 81 1HD2 ASN 13 1HD2 ASN 13 5.242 8.539 -7.420 82 2HD2 ASN 13 2HD2 ASN 13 6.719 8.238 -6.640 83 H ASP 14 H ASP 14 2.327 4.316 -5.596 84 HA ASP 14 HA ASP 14 2.079 4.035 -2.759 85 1HB ASP 14 2HB ASP 14 2.015 1.636 -3.290 86 2HB ASP 14 1HB ASP 14 1.107 2.535 -4.503 87 H GLN 15 H GLN 15 3.642 3.836 -1.205 88 HA GLN 15 HA GLN 15 6.456 3.290 -2.106 89 1HB GLN 15 2HB GLN 15 5.206 5.121 -0.065 90 2HB GLN 15 1HB GLN 15 6.891 4.628 0.104 91 1HG GLN 15 2HG GLN 15 7.509 5.623 -1.957 92 2HG GLN 15 1HG GLN 15 5.832 5.764 -2.487 93 1HE2 GLN 15 1HE2 GLN 15 8.150 7.051 -0.064 94 2HE2 GLN 15 2HE2 GLN 15 7.340 8.528 0.152 95 H CYS 16 H CYS 16 4.118 1.500 -0.929 96 HA CYS 16 HA CYS 16 5.109 0.588 1.646 97 1HB CYS 16 2HB CYS 16 2.989 -0.019 -0.305 98 2HB CYS 16 1HB CYS 16 3.561 -1.432 0.582 99 H CYS 17 H CYS 17 6.211 -1.420 2.061 100 HA CYS 17 HA CYS 17 8.279 -2.110 0.152 101 1HB CYS 17 2HB CYS 17 7.537 -2.601 2.909 102 2HB CYS 17 1HB CYS 17 8.054 -4.104 2.146 103 H LYS 18 H LYS 18 8.324 -3.777 -1.321 104 HA LYS 18 HA LYS 18 5.860 -5.157 -2.027 105 1HB LYS 18 2HB LYS 18 8.358 -4.484 -3.175 106 2HB LYS 18 1HB LYS 18 8.265 -6.244 -3.220 107 1HG LYS 18 2HG LYS 18 5.889 -4.607 -4.066 108 2HG LYS 18 1HG LYS 18 7.228 -4.851 -5.188 109 1HD LYS 18 2HD LYS 18 6.875 -7.395 -4.273 110 2HD LYS 18 1HD LYS 18 5.220 -6.789 -4.195 111 1HE LYS 18 2HE LYS 18 5.044 -7.093 -6.432 112 2HE LYS 18 1HE LYS 18 6.328 -5.893 -6.672 113 1HZ LYS 18 1HZ LYS 18 6.751 -8.770 -6.045 114 2HZ LYS 18 2HZ LYS 18 7.975 -7.613 -6.269 115 3HZ LYS 18 3HZ LYS 18 6.972 -8.056 -7.567 116 H SER 19 H SER 19 8.515 -5.897 0.101 117 HA SER 19 HA SER 19 8.540 -8.753 -0.017 118 1HB SER 19 2HB SER 19 10.172 -7.186 1.107 119 2HB SER 19 1HB SER 19 8.980 -6.944 2.380 120 HG SER 19 HG SER 19 9.487 -8.826 3.168 121 H SER 20 H SER 20 6.447 -6.489 1.773 122 HA SER 20 HA SER 20 5.030 -8.742 3.096 123 1HB SER 20 2HB SER 20 5.036 -5.731 3.298 124 2HB SER 20 1HB SER 20 3.810 -6.698 4.113 125 HG SER 20 HG SER 20 5.664 -6.282 5.422 126 H ASN 21 H ASN 21 4.845 -7.628 0.060 127 HA ASN 21 HA ASN 21 3.143 -7.403 -1.557 128 1HB ASN 21 2HB ASN 21 2.940 -9.738 -0.202 129 2HB ASN 21 1HB ASN 21 1.350 -9.060 0.152 130 1HD2 ASN 21 1HD2 ASN 21 3.444 -10.237 -2.462 131 2HD2 ASN 21 2HD2 ASN 21 2.231 -10.281 -3.648 132 H LEU 22 H LEU 22 3.150 -5.197 0.155 133 HA LEU 22 HA LEU 22 0.367 -4.752 1.088 134 1HB LEU 22 2HB LEU 22 3.061 -3.475 1.382 135 2HB LEU 22 1HB LEU 22 1.636 -2.469 1.639 136 HG LEU 22 HG LEU 22 1.772 -5.159 2.963 137 1HD1 LEU 22 1HD1 LEU 22 2.930 -4.171 4.885 138 2HD1 LEU 22 2HD1 LEU 22 3.067 -2.633 4.034 139 3HD1 LEU 22 3HD1 LEU 22 3.942 -4.046 3.446 140 1HD2 LEU 22 1HD2 LEU 22 -0.239 -3.528 2.931 141 2HD2 LEU 22 2HD2 LEU 22 0.719 -2.533 4.027 142 3HD2 LEU 22 3HD2 LEU 22 0.258 -4.169 4.497 143 H VAL 23 H VAL 23 -1.063 -3.375 0.040 144 HA VAL 23 HA VAL 23 -0.079 -1.995 -2.441 145 HB VAL 23 HB VAL 23 -2.400 -2.521 -3.325 146 1HG1 VAL 23 1HG1 VAL 23 -1.856 -4.826 -3.885 147 2HG1 VAL 23 2HG1 VAL 23 -0.749 -4.932 -2.515 148 3HG1 VAL 23 3HG1 VAL 23 -0.373 -3.872 -3.874 149 1HG2 VAL 23 1HG2 VAL 23 -2.555 -4.565 -1.111 150 2HG2 VAL 23 2HG2 VAL 23 -3.835 -3.999 -2.183 151 3HG2 VAL 23 3HG2 VAL 23 -3.240 -2.955 -0.893 152 H CYS 24 H CYS 24 -0.769 0.127 -2.714 153 HA CYS 24 HA CYS 24 -2.006 1.461 -0.402 154 1HB CYS 24 2HB CYS 24 -0.841 2.299 -3.065 155 2HB CYS 24 1HB CYS 24 -1.617 3.464 -1.991 156 H SER 25 H SER 25 -4.215 1.201 -0.257 157 HA SER 25 HA SER 25 -5.949 0.858 -2.564 158 1HB SER 25 2HB SER 25 -6.304 -0.055 -0.251 159 2HB SER 25 1HB SER 25 -6.588 1.589 0.314 160 HG SER 25 HG SER 25 -8.502 0.340 -0.282 161 H ARG 26 H ARG 26 -7.224 2.402 -3.590 162 HA ARG 26 HA ARG 26 -6.535 5.238 -3.140 163 1HB ARG 26 2HB ARG 26 -7.719 5.548 -5.250 164 2HB ARG 26 1HB ARG 26 -6.670 4.139 -5.390 165 1HG ARG 26 2HG ARG 26 -8.527 3.070 -6.136 166 2HG ARG 26 1HG ARG 26 -9.001 3.018 -4.439 167 1HD ARG 26 2HD ARG 26 -10.094 5.299 -4.793 168 2HD ARG 26 1HD ARG 26 -9.840 5.047 -6.531 169 HE ARG 26 HE ARG 26 -11.000 2.671 -5.612 170 1HH1 ARG 26 1HH2 ARG 26 -12.274 4.505 -7.645 171 2HH1 ARG 26 2HH2 ARG 26 -13.760 4.922 -6.859 172 1HH2 ARG 26 2HH1 ARG 26 -12.711 3.859 -3.724 173 2HH2 ARG 26 1HH1 ARG 26 -14.009 4.555 -4.635 174 H ALA 27 H ALA 27 -9.193 3.048 -2.450 175 HA ALA 27 HA ALA 27 -11.265 5.024 -2.072 176 1HB ALA 27 1HB ALA 27 -12.438 3.145 -1.060 177 2HB ALA 27 2HB ALA 27 -10.918 2.287 -0.810 178 3HB ALA 27 3HB ALA 27 -11.526 2.547 -2.445 179 H HIS 28 H HIS 28 -9.016 3.396 0.169 180 HA HIS 28 HA HIS 28 -9.853 5.288 2.333 181 1HB HIS 28 2HB HIS 28 -8.371 2.637 2.372 182 2HB HIS 28 1HB HIS 28 -8.813 3.566 3.805 183 HD1 HIS 28 HD1 HIS 28 -11.586 4.235 3.707 184 HD2 HIS 28 HD2 HIS 28 -10.302 0.748 1.818 185 HE1 HIS 28 HE1 HIS 28 -13.641 2.788 3.402 186 H ARG 29 H ARG 29 -7.473 5.058 0.000 187 HA ARG 29 HA ARG 29 -5.310 5.959 -0.239 188 1HB ARG 29 2HB ARG 29 -6.940 7.653 1.544 189 2HB ARG 29 1HB ARG 29 -5.205 7.944 1.665 190 1HG ARG 29 2HG ARG 29 -5.332 9.157 -0.225 191 2HG ARG 29 1HG ARG 29 -5.746 7.679 -1.093 192 1HD ARG 29 2HD ARG 29 -7.944 8.263 -1.267 193 2HD ARG 29 1HD ARG 29 -8.005 8.869 0.400 194 HE ARG 29 HE ARG 29 -6.655 10.870 -0.537 195 1HH1 ARG 29 2HH1 ARG 29 -9.534 11.219 -1.066 196 2HH1 ARG 29 1HH1 ARG 29 -9.593 11.466 -2.779 197 1HH2 ARG 29 1HH2 ARG 29 -6.403 10.203 -3.336 198 2HH2 ARG 29 2HH2 ARG 29 -7.814 10.889 -4.068 199 H TRP 30 H TRP 30 -5.438 3.627 1.504 200 HA TRP 30 HA TRP 30 -3.061 4.211 3.212 201 1HB TRP 30 2HB TRP 30 -4.083 3.360 5.128 202 2HB TRP 30 1HB TRP 30 -5.448 4.145 4.340 203 HD1 TRP 30 HD1 TRP 30 -6.544 2.228 2.357 204 HE1 TRP 30 HE1 TRP 30 -7.396 -0.128 2.966 205 HE3 TRP 30 HE3 TRP 30 -4.078 1.518 6.764 206 HZ2 TRP 30 HZ2 TRP 30 -7.070 -2.060 5.054 207 HZ3 TRP 30 HZ3 TRP 30 -4.362 -0.586 8.045 208 HH2 TRP 30 HH2 TRP 30 -5.855 -2.373 7.194 209 H CYS 31 H CYS 31 -2.019 2.052 3.931 210 HA CYS 31 HA CYS 31 -1.932 0.259 1.563 211 1HB CYS 31 2HB CYS 31 -0.031 1.410 3.202 212 2HB CYS 31 1HB CYS 31 -0.114 -0.240 3.820 213 H LYS 32 H LYS 32 -2.593 -1.862 1.633 214 HA LYS 32 HA LYS 32 -3.301 -3.095 4.260 215 1HB LYS 32 2HB LYS 32 -5.508 -3.723 3.310 216 2HB LYS 32 1HB LYS 32 -5.304 -1.973 3.352 217 1HG LYS 32 2HG LYS 32 -5.258 -1.788 1.075 218 2HG LYS 32 1HG LYS 32 -4.373 -3.299 0.868 219 1HD LYS 32 2HD LYS 32 -6.501 -3.788 -0.020 220 2HD LYS 32 1HD LYS 32 -6.577 -4.448 1.615 221 1HE LYS 32 2HE LYS 32 -7.481 -2.033 2.225 222 2HE LYS 32 1HE LYS 32 -7.909 -1.994 0.504 223 1HZ LYS 32 1HZ LYS 32 -8.608 -4.169 2.410 224 2HZ LYS 32 2HZ LYS 32 -9.005 -4.134 0.757 225 3HZ LYS 32 3HZ LYS 32 -9.683 -2.996 1.822 226 H TYR 33 H TYR 33 -3.977 -5.500 3.800 227 HA TYR 33 HA TYR 33 -1.903 -6.674 2.030 228 1HB TYR 33 2HB TYR 33 -2.951 -7.237 4.553 229 2HB TYR 33 1HB TYR 33 -3.656 -8.485 3.525 230 HD1 TYR 33 HD1 TYR 33 -2.195 -10.005 2.208 231 HD2 TYR 33 HD2 TYR 33 -0.587 -7.174 5.009 232 HE1 TYR 33 HE1 TYR 33 -0.033 -11.216 2.189 233 HE2 TYR 33 HE2 TYR 33 1.576 -8.385 4.992 234 HH TYR 33 HH TYR 33 2.104 -11.194 4.293 235 H GLU 34 H GLU 34 -2.407 -7.683 0.107 236 HA GLU 34 HA GLU 34 -5.227 -8.477 -0.442 237 1HB GLU 34 2HB GLU 34 -4.308 -6.024 -1.163 238 2HB GLU 34 1HB GLU 34 -3.821 -6.958 -2.577 239 1HG GLU 34 2HG GLU 34 -6.445 -7.806 -1.947 240 2HG GLU 34 1HG GLU 34 -6.458 -6.045 -1.835 241 H ILE 35 H ILE 35 -5.383 -9.930 -2.311 242 HA ILE 35 HA ILE 35 -2.768 -11.120 -3.174 243 HB ILE 35 HB ILE 35 -3.925 -12.398 -1.349 244 1HG1 ILE 35 2HG1 ILE 35 -4.152 -14.063 -3.836 245 2HG1 ILE 35 1HG1 ILE 35 -2.580 -13.388 -3.405 246 1HG2 ILE 35 1HG2 ILE 35 -6.254 -11.762 -2.168 247 2HG2 ILE 35 2HG2 ILE 35 -6.041 -13.455 -1.724 248 3HG2 ILE 35 3HG2 ILE 35 -6.051 -12.984 -3.424 249 1HD1 ILE 35 1HD1 ILE 35 -4.284 -14.947 -1.448 250 2HD1 ILE 35 2HD1 ILE 35 -2.587 -14.496 -1.280 251 3HD1 ILE 35 3HD1 ILE 35 -3.063 -15.708 -2.470 252 1HN NH2 36 1HN NH2 36 -5.869 -10.144 -5.524 253 2HN NH2 36 2HN NH2 36 -5.345 -9.485 -3.960
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