NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7413 | 1kgm | 5272 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1HT GLU 1 7.859 -0.265 9.996 2 2H GLU 1 2HT GLU 1 7.651 0.957 8.833 3 3H GLU 1 3HT GLU 1 6.660 -0.424 8.806 4 HA GLU 1 HA GLU 1 5.878 0.280 11.112 5 1HB GLU 1 2HB GLU 1 7.404 2.685 10.073 6 2HB GLU 1 1HB GLU 1 6.252 2.781 11.405 7 1HG GLU 1 2HG GLU 1 7.604 0.895 12.502 8 2HG GLU 1 1HG GLU 1 8.844 1.233 11.295 9 H VAL 2 H VAL 2 4.108 -0.388 9.607 10 HA VAL 2 HA VAL 2 3.012 1.843 7.944 11 HB VAL 2 HB VAL 2 2.266 -1.095 8.050 12 1HG1 VAL 2 1HG1 VAL 2 0.620 0.539 7.052 13 2HG1 VAL 2 2HG1 VAL 2 1.209 -0.672 5.916 14 3HG1 VAL 2 3HG1 VAL 2 1.853 0.967 5.868 15 1HG2 VAL 2 1HG2 VAL 2 3.629 -0.999 5.807 16 2HG2 VAL 2 2HG2 VAL 2 4.494 -1.166 7.335 17 3HG2 VAL 2 3HG2 VAL 2 4.393 0.409 6.545 18 H THR 3 H THR 3 0.671 2.221 8.068 19 HA THR 3 HA THR 3 -0.601 1.366 10.642 20 HB THR 3 HB THR 3 0.293 3.581 10.986 21 HG1 THR 3 1HG THR 3 -1.748 4.825 10.936 22 1HG2 THR 3 1HG2 THR 3 0.812 4.271 8.767 23 2HG2 THR 3 2HG2 THR 3 -0.393 5.420 9.345 24 3HG2 THR 3 3HG2 THR 3 -0.867 4.123 8.250 25 H CYS 4 H CYS 4 -1.713 -0.150 9.085 26 HA CYS 4 HA CYS 4 -4.211 1.043 8.088 27 1HB CYS 4 2HB CYS 4 -3.739 0.265 5.749 28 2HB CYS 4 1HB CYS 4 -2.632 1.534 6.283 29 H GLU 5 H GLU 5 -5.593 -0.741 7.067 30 HA GLU 5 HA GLU 5 -5.212 -3.267 8.590 31 1HB GLU 5 2HB GLU 5 -7.379 -1.583 7.827 32 2HB GLU 5 1HB GLU 5 -7.611 -3.123 6.999 33 1HG GLU 5 2HG GLU 5 -7.855 -4.306 8.965 34 2HG GLU 5 1HG GLU 5 -6.818 -3.209 9.877 35 HA PRO 6 HA PRO 6 -3.964 -5.460 5.000 36 1HB PRO 6 2HB PRO 6 -5.021 -7.936 5.513 37 2HB PRO 6 1HB PRO 6 -3.607 -7.288 6.368 38 1HG PRO 6 2HG PRO 6 -6.441 -7.438 7.249 39 2HG PRO 6 1HG PRO 6 -4.955 -7.680 8.177 40 1HD PRO 6 2HD PRO 6 -6.433 -5.383 8.259 41 2HD PRO 6 1HD PRO 6 -4.684 -5.441 8.574 42 H GLY 7 H GLY 7 -4.943 -4.941 3.082 43 1HA GLY 7 2HA GLY 7 -6.502 -5.631 1.325 44 2HA GLY 7 1HA GLY 7 -7.682 -6.011 2.584 45 H THR 8 H THR 8 -5.687 -3.092 2.053 46 HA THR 8 HA THR 8 -8.111 -1.513 1.435 47 HB THR 8 HB THR 8 -6.415 -0.663 3.766 48 HG1 THR 8 1HG THR 8 -8.301 -1.794 4.913 49 1HG2 THR 8 1HG2 THR 8 -9.223 -0.253 4.072 50 2HG2 THR 8 2HG2 THR 8 -8.778 0.239 2.439 51 3HG2 THR 8 3HG2 THR 8 -7.965 0.959 3.827 52 H THR 9 H THR 9 -4.611 -1.620 1.960 53 HA THR 9 HA THR 9 -2.876 -0.219 1.166 54 HB THR 9 HB THR 9 -3.781 -1.609 -0.767 55 HG1 THR 9 1HG THR 9 -2.431 -0.593 -2.130 56 1HG2 THR 9 1HG2 THR 9 -5.244 0.985 -1.234 57 2HG2 THR 9 2HG2 THR 9 -5.883 -0.658 -1.248 58 3HG2 THR 9 3HG2 THR 9 -4.855 -0.100 -2.567 59 H PHE 10 H PHE 10 -2.689 1.936 -0.424 60 HA PHE 10 HA PHE 10 -4.713 3.938 -0.238 61 1HB PHE 10 2HB PHE 10 -3.590 5.186 1.727 62 2HB PHE 10 1HB PHE 10 -4.554 3.766 2.130 63 HD1 PHE 10 1HD PHE 10 -1.103 5.048 1.685 64 HD2 PHE 10 2HD PHE 10 -3.537 1.757 2.992 65 HE1 PHE 10 1HE PHE 10 0.883 3.988 2.726 66 HE2 PHE 10 2HE PHE 10 -1.552 0.701 4.024 67 HZ PHE 10 HZ PHE 10 0.658 1.811 3.898 68 H LYS 11 H LYS 11 -3.396 6.259 -0.053 69 HA LYS 11 HA LYS 11 -1.351 6.079 -2.203 70 1HB LYS 11 2HB LYS 11 -3.114 8.205 -0.989 71 2HB LYS 11 1HB LYS 11 -1.777 8.645 -2.051 72 1HG LYS 11 2HG LYS 11 -2.980 6.598 -3.450 73 2HG LYS 11 1HG LYS 11 -4.361 7.416 -2.716 74 1HD LYS 11 2HD LYS 11 -2.232 9.095 -3.982 75 2HD LYS 11 1HD LYS 11 -3.365 8.246 -5.036 76 1HE LYS 11 2HE LYS 11 -4.589 9.665 -2.727 77 2HE LYS 11 1HE LYS 11 -3.901 10.695 -4.000 78 1HZ LYS 11 1HZ LYS 11 -5.386 9.983 -5.503 79 2HZ LYS 11 2HZ LYS 11 -6.312 9.514 -4.159 80 3HZ LYS 11 3HZ LYS 11 -5.338 8.377 -4.960 81 H ASP 12 H ASP 12 0.796 6.255 -1.681 82 HA ASP 12 HA ASP 12 1.512 7.630 0.889 83 1HB ASP 12 2HB ASP 12 1.662 4.941 0.329 84 2HB ASP 12 1HB ASP 12 3.288 5.490 -0.093 85 H LYS 13 H LYS 13 3.347 8.934 0.812 86 HA LYS 13 HA LYS 13 4.612 10.584 -0.388 87 1HB LYS 13 2HB LYS 13 6.667 9.241 -1.210 88 2HB LYS 13 1HB LYS 13 6.210 9.093 0.489 89 1HG LYS 13 2HG LYS 13 5.319 6.956 0.202 90 2HG LYS 13 1HG LYS 13 5.050 7.200 -1.523 91 1HD LYS 13 2HD LYS 13 7.754 7.477 -1.408 92 2HD LYS 13 1HD LYS 13 7.491 6.316 -0.106 93 1HE LYS 13 2HE LYS 13 6.549 4.711 -1.553 94 2HE LYS 13 1HE LYS 13 6.181 5.920 -2.799 95 1HZ LYS 13 1HZ LYS 13 8.344 6.047 -3.461 96 2HZ LYS 13 2HZ LYS 13 8.322 4.423 -2.961 97 3HZ LYS 13 3HZ LYS 13 8.964 5.621 -1.941 98 H CYS 14 H CYS 14 5.788 8.432 -2.779 99 HA CYS 14 HA CYS 14 4.160 9.862 -4.851 100 1HB CYS 14 2HB CYS 14 6.909 8.589 -5.036 101 2HB CYS 14 1HB CYS 14 6.142 9.612 -6.253 102 H ASN 15 H ASN 15 3.760 7.143 -3.356 103 HA ASN 15 HA ASN 15 3.049 5.628 -5.805 104 1HB ASN 15 2HB ASN 15 5.018 4.738 -3.681 105 2HB ASN 15 1HB ASN 15 4.310 3.640 -4.864 106 1HD2 ASN 15 1HD2 ASN 15 6.373 6.549 -4.562 107 2HD2 ASN 15 2HD2 ASN 15 7.115 6.377 -6.088 108 H THR 16 H THR 16 2.034 3.422 -5.016 109 HA THR 16 HA THR 16 0.170 4.066 -2.765 110 HB THR 16 HB THR 16 0.082 2.435 -5.295 111 HG1 THR 16 1HG THR 16 -1.510 3.780 -5.735 112 1HG2 THR 16 1HG2 THR 16 -2.290 1.778 -4.221 113 2HG2 THR 16 2HG2 THR 16 -1.336 1.860 -2.741 114 3HG2 THR 16 3HG2 THR 16 -0.860 0.761 -4.035 115 H CYS 17 H CYS 17 0.214 2.821 -0.952 116 HA CYS 17 HA CYS 17 2.106 0.508 -0.907 117 1HB CYS 17 2HB CYS 17 1.875 2.814 0.597 118 2HB CYS 17 1HB CYS 17 1.089 1.606 1.614 119 H ARG 18 H ARG 18 0.992 -1.397 -1.145 120 HA ARG 18 HA ARG 18 -1.806 -1.697 -0.361 121 1HB ARG 18 2HB ARG 18 -1.148 -2.922 -2.253 122 2HB ARG 18 1HB ARG 18 0.395 -3.380 -1.537 123 1HG ARG 18 2HG ARG 18 -1.261 -5.270 -1.666 124 2HG ARG 18 1HG ARG 18 -0.692 -4.933 -0.030 125 1HD ARG 18 2HD ARG 18 -2.809 -4.520 0.652 126 2HD ARG 18 1HD ARG 18 -3.011 -3.299 -0.620 127 HE ARG 18 HE ARG 18 -4.293 -4.941 -1.725 128 1HH1 ARG 18 1HH2 ARG 18 -3.013 -6.644 0.781 129 2HH1 ARG 18 2HH2 ARG 18 -2.750 -8.123 -0.082 130 1HH2 ARG 18 1HH1 ARG 18 -3.388 -6.731 -3.192 131 2HH2 ARG 18 2HH1 ARG 18 -2.965 -8.171 -2.330 132 H CYS 19 H CYS 19 -2.273 -1.849 1.812 133 HA CYS 19 HA CYS 19 -0.520 -2.478 3.919 134 1HB CYS 19 2HB CYS 19 -3.010 -1.613 3.754 135 2HB CYS 19 1HB CYS 19 -3.407 -3.324 3.952 136 H GLY 20 H GLY 20 0.507 -4.367 4.428 137 1HA GLY 20 2HA GLY 20 0.192 -6.776 2.945 138 2HA GLY 20 1HA GLY 20 1.035 -6.650 4.492 139 H SER 21 H SER 21 0.114 -8.726 5.070 140 HA SER 21 HA SER 21 -2.833 -8.758 5.548 141 1HB SER 21 2HB SER 21 -0.899 -10.583 4.601 142 2HB SER 21 1HB SER 21 -1.391 -11.184 6.181 143 HG SER 21 HG SER 21 -2.791 -11.016 3.823 144 H ASP 22 H ASP 22 0.020 -8.055 7.187 145 HA ASP 22 HA ASP 22 -0.851 -9.175 9.793 146 1HB ASP 22 2HB ASP 22 1.474 -9.399 9.273 147 2HB ASP 22 1HB ASP 22 1.588 -7.715 8.748 148 H GLY 23 H GLY 23 -1.561 -6.473 7.997 149 1HA GLY 23 2HA GLY 23 -2.649 -4.478 8.586 150 2HA GLY 23 1HA GLY 23 -2.719 -5.088 10.241 151 H LYS 24 H LYS 24 0.454 -5.139 9.021 152 HA LYS 24 HA LYS 24 1.053 -2.388 10.005 153 1HB LYS 24 2HB LYS 24 1.098 -4.113 11.869 154 2HB LYS 24 1HB LYS 24 2.441 -4.883 11.023 155 1HG LYS 24 2HG LYS 24 3.375 -2.374 11.034 156 2HG LYS 24 1HG LYS 24 2.358 -2.277 12.472 157 1HD LYS 24 2HD LYS 24 4.622 -4.216 11.947 158 2HD LYS 24 1HD LYS 24 4.531 -2.987 13.209 159 1HE LYS 24 2HE LYS 24 2.290 -4.357 13.818 160 2HE LYS 24 1HE LYS 24 3.237 -5.671 13.092 161 1HZ LYS 24 1HZ LYS 24 3.557 -4.845 15.616 162 2HZ LYS 24 2HZ LYS 24 4.713 -3.880 14.832 163 3HZ LYS 24 3HZ LYS 24 4.786 -5.572 14.702 164 H SER 25 H SER 25 1.330 -4.400 7.522 165 HA SER 25 HA SER 25 4.128 -3.530 6.870 166 1HB SER 25 2HB SER 25 2.692 -6.157 6.619 167 2HB SER 25 1HB SER 25 3.968 -5.765 5.464 168 HG SER 25 HG SER 25 5.397 -5.548 7.161 169 H ALA 26 H ALA 26 4.469 -3.124 4.554 170 HA ALA 26 HA ALA 26 2.020 -2.977 2.870 171 1HB ALA 26 1HB ALA 26 2.522 -0.862 4.317 172 2HB ALA 26 2HB ALA 26 2.165 -0.640 2.605 173 3HB ALA 26 3HB ALA 26 3.833 -0.589 3.171 174 H ALA 27 H ALA 27 2.506 -2.937 0.620 175 HA ALA 27 HA ALA 27 5.191 -3.931 -0.087 176 1HB ALA 27 1HB ALA 27 2.523 -4.236 -0.960 177 2HB ALA 27 2HB ALA 27 3.957 -4.996 -1.650 178 3HB ALA 27 3HB ALA 27 3.381 -3.455 -2.289 179 H CYS 28 H CYS 28 3.054 -1.260 -1.076 180 HA CYS 28 HA CYS 28 3.576 0.850 -1.980 181 1HB CYS 28 2HB CYS 28 5.826 -0.002 -0.284 182 2HB CYS 28 1HB CYS 28 6.274 1.188 -1.500 183 H THR 29 H THR 29 3.447 0.657 -4.209 184 HA THR 29 HA THR 29 4.759 -1.017 -5.967 185 HB THR 29 HB THR 29 4.272 0.630 -7.649 186 HG1 THR 29 1HG THR 29 5.269 2.422 -6.927 187 1HG2 THR 29 1HG2 THR 29 2.362 -0.270 -6.114 188 2HG2 THR 29 2HG2 THR 29 2.015 1.065 -7.212 189 3HG2 THR 29 3HG2 THR 29 2.308 1.383 -5.503 190 H LEU 30 H LEU 30 6.031 2.060 -4.695 191 HA LEU 30 HA LEU 30 8.236 2.881 -4.583 192 1HB LEU 30 2HB LEU 30 8.522 -0.120 -4.673 193 2HB LEU 30 1HB LEU 30 9.944 0.917 -4.569 194 HG LEU 30 HG LEU 30 7.663 1.392 -2.687 195 1HD1 LEU 30 1HD1 LEU 30 8.549 -1.130 -2.844 196 2HD1 LEU 30 2HD1 LEU 30 8.172 -0.376 -1.295 197 3HD1 LEU 30 3HD1 LEU 30 9.843 -0.466 -1.849 198 1HD2 LEU 30 1HD2 LEU 30 10.197 2.489 -3.103 199 2HD2 LEU 30 2HD2 LEU 30 10.397 1.464 -1.682 200 3HD2 LEU 30 3HD2 LEU 30 9.177 2.737 -1.686 201 H LYS 31 H LYS 31 8.137 3.992 -6.626 202 HA LYS 31 HA LYS 31 9.632 2.607 -8.828 203 1HB LYS 31 2HB LYS 31 7.030 4.023 -8.733 204 2HB LYS 31 1HB LYS 31 8.062 4.449 -10.099 205 1HG LYS 31 2HG LYS 31 6.976 2.608 -10.984 206 2HG LYS 31 1HG LYS 31 8.369 1.814 -10.248 207 1HD LYS 31 2HD LYS 31 6.788 0.532 -9.222 208 2HD LYS 31 1HD LYS 31 6.658 1.910 -8.127 209 1HE LYS 31 2HE LYS 31 4.486 2.095 -8.747 210 2HE LYS 31 1HE LYS 31 5.047 2.546 -10.368 211 1HZ LYS 31 1HZ LYS 31 5.410 0.069 -10.701 212 2HZ LYS 31 2HZ LYS 31 3.799 0.608 -10.702 213 3HZ LYS 31 3HZ LYS 31 4.440 -0.160 -9.329 214 H ALA 32 H ALA 32 8.877 5.611 -7.128 215 HA ALA 32 HA ALA 32 11.484 6.708 -7.296 216 1HB ALA 32 1HB ALA 32 9.662 7.133 -9.621 217 2HB ALA 32 2HB ALA 32 11.419 7.002 -9.585 218 3HB ALA 32 3HB ALA 32 10.638 8.507 -9.101 219 H CYS 33 H CYS 33 11.562 8.768 -6.252 220 HA CYS 33 HA CYS 33 9.274 10.444 -5.768 221 1HB CYS 33 2HB CYS 33 8.675 8.299 -4.557 222 2HB CYS 33 1HB CYS 33 10.060 8.588 -3.501 223 HA PRO 34 HA PRO 34 13.283 12.320 -4.680 224 1HB PRO 34 2HB PRO 34 12.598 14.823 -5.552 225 2HB PRO 34 1HB PRO 34 13.212 13.556 -6.633 226 1HG PRO 34 2HG PRO 34 10.415 14.469 -6.183 227 2HG PRO 34 1HG PRO 34 11.214 13.975 -7.684 228 1HD PRO 34 2HD PRO 34 9.515 12.366 -6.279 229 2HD PRO 34 1HD PRO 34 10.825 11.750 -7.314 230 H GLN 35 H GLN 35 9.977 13.173 -3.896 231 HA GLN 35 HA GLN 35 10.729 13.898 -1.165 232 1HB GLN 35 2HB GLN 35 9.939 16.248 -1.383 233 2HB GLN 35 1HB GLN 35 11.329 15.932 -2.423 234 1HG GLN 35 2HG GLN 35 9.563 15.353 -4.239 235 2HG GLN 35 1HG GLN 35 8.430 16.215 -3.197 236 1HE2 GLN 35 1HE2 GLN 35 8.586 17.582 -5.417 237 2HE2 GLN 35 2HE2 GLN 35 9.693 18.869 -5.368 Start of MODEL 2 1 1H GLU 1 1HT GLU 1 8.126 2.672 10.137 2 2H GLU 1 2HT GLU 1 6.684 3.569 10.099 3 3H GLU 1 3HT GLU 1 7.328 2.931 8.663 4 HA GLU 1 HA GLU 1 6.815 0.716 9.284 5 1HB GLU 1 2HB GLU 1 7.581 1.426 11.684 6 2HB GLU 1 1HB GLU 1 5.870 1.764 11.947 7 1HG GLU 1 2HG GLU 1 5.764 -0.705 10.756 8 2HG GLU 1 1HG GLU 1 7.252 -0.826 11.694 9 H VAL 2 H VAL 2 5.127 0.894 7.769 10 HA VAL 2 HA VAL 2 2.846 2.602 8.014 11 HB VAL 2 HB VAL 2 3.367 1.701 5.877 12 1HG1 VAL 2 1HG1 VAL 2 4.725 -0.159 6.261 13 2HG1 VAL 2 2HG1 VAL 2 3.250 -0.915 5.660 14 3HG1 VAL 2 3HG1 VAL 2 3.582 -0.884 7.392 15 1HG2 VAL 2 1HG2 VAL 2 0.860 1.333 6.960 16 2HG2 VAL 2 2HG2 VAL 2 1.235 -0.276 6.342 17 3HG2 VAL 2 3HG2 VAL 2 1.260 1.113 5.257 18 H THR 3 H THR 3 0.928 2.324 9.118 19 HA THR 3 HA THR 3 0.469 -0.316 10.472 20 HB THR 3 HB THR 3 0.093 2.519 11.493 21 HG1 THR 3 1HG THR 3 2.229 1.700 11.523 22 1HG2 THR 3 1HG2 THR 3 -1.563 0.526 12.140 23 2HG2 THR 3 2HG2 THR 3 -1.015 1.700 13.338 24 3HG2 THR 3 3HG2 THR 3 -0.239 0.119 13.233 25 H CYS 4 H CYS 4 -0.918 -0.642 8.475 26 HA CYS 4 HA CYS 4 -3.553 0.775 8.754 27 1HB CYS 4 2HB CYS 4 -3.674 0.334 6.246 28 2HB CYS 4 1HB CYS 4 -2.432 1.485 6.748 29 H GLU 5 H GLU 5 -5.308 -0.629 7.551 30 HA GLU 5 HA GLU 5 -5.286 -3.301 8.794 31 1HB GLU 5 2HB GLU 5 -7.157 -1.303 7.958 32 2HB GLU 5 1HB GLU 5 -7.547 -2.797 7.108 33 1HG GLU 5 2HG GLU 5 -8.625 -3.395 9.010 34 2HG GLU 5 1HG GLU 5 -7.015 -3.689 9.669 35 HA PRO 6 HA PRO 6 -3.984 -5.359 5.114 36 1HB PRO 6 2HB PRO 6 -5.007 -7.846 5.626 37 2HB PRO 6 1HB PRO 6 -3.571 -7.202 6.448 38 1HG PRO 6 2HG PRO 6 -6.385 -7.366 7.407 39 2HG PRO 6 1HG PRO 6 -4.874 -7.638 8.289 40 1HD PRO 6 2HD PRO 6 -6.324 -5.338 8.475 41 2HD PRO 6 1HD PRO 6 -4.560 -5.405 8.704 42 H GLY 7 H GLY 7 -4.981 -5.036 3.163 43 1HA GLY 7 2HA GLY 7 -6.620 -5.659 1.489 44 2HA GLY 7 1HA GLY 7 -7.748 -6.060 2.790 45 H THR 8 H THR 8 -5.844 -3.144 1.954 46 HA THR 8 HA THR 8 -8.283 -1.582 1.496 47 HB THR 8 HB THR 8 -6.536 -1.023 3.913 48 HG1 THR 8 1HG THR 8 -9.185 -1.785 4.175 49 1HG2 THR 8 1HG2 THR 8 -8.604 0.410 4.467 50 2HG2 THR 8 2HG2 THR 8 -9.039 0.212 2.769 51 3HG2 THR 8 3HG2 THR 8 -7.525 1.007 3.205 52 H THR 9 H THR 9 -4.786 -1.642 2.022 53 HA THR 9 HA THR 9 -3.073 -0.209 1.232 54 HB THR 9 HB THR 9 -3.871 -1.683 -0.665 55 HG1 THR 9 1HG THR 9 -2.900 -0.241 -2.273 56 1HG2 THR 9 1HG2 THR 9 -6.037 -0.873 -1.158 57 2HG2 THR 9 2HG2 THR 9 -5.050 -0.320 -2.511 58 3HG2 THR 9 3HG2 THR 9 -5.487 0.802 -1.223 59 H PHE 10 H PHE 10 -2.970 1.862 -0.518 60 HA PHE 10 HA PHE 10 -5.025 3.833 -0.387 61 1HB PHE 10 2HB PHE 10 -3.841 5.222 1.461 62 2HB PHE 10 1HB PHE 10 -4.819 3.847 1.972 63 HD1 PHE 10 1HD PHE 10 -3.830 1.924 3.000 64 HD2 PHE 10 2HD PHE 10 -1.347 5.009 1.340 65 HE1 PHE 10 1HE PHE 10 -1.849 0.916 4.092 66 HE2 PHE 10 2HE PHE 10 0.637 4.000 2.434 67 HZ PHE 10 HZ PHE 10 0.388 1.948 3.815 68 H LYS 11 H LYS 11 -3.665 6.190 -0.287 69 HA LYS 11 HA LYS 11 -1.501 5.837 -2.337 70 1HB LYS 11 2HB LYS 11 -3.910 7.493 -2.090 71 2HB LYS 11 1HB LYS 11 -2.476 8.429 -2.517 72 1HG LYS 11 2HG LYS 11 -2.034 6.583 -4.274 73 2HG LYS 11 1HG LYS 11 -3.711 6.111 -4.001 74 1HD LYS 11 2HD LYS 11 -2.776 8.875 -4.830 75 2HD LYS 11 1HD LYS 11 -3.537 7.688 -5.890 76 1HE LYS 11 2HE LYS 11 -5.561 7.714 -4.426 77 2HE LYS 11 1HE LYS 11 -4.804 8.993 -3.454 78 1HZ LYS 11 1HZ LYS 11 -4.440 10.158 -5.668 79 2HZ LYS 11 2HZ LYS 11 -6.028 10.138 -5.067 80 3HZ LYS 11 3HZ LYS 11 -5.574 9.074 -6.311 81 H ASP 12 H ASP 12 0.484 6.320 -1.494 82 HA ASP 12 HA ASP 12 0.680 8.591 0.452 83 1HB ASP 12 2HB ASP 12 0.787 6.061 1.254 84 2HB ASP 12 1HB ASP 12 2.445 6.173 0.651 85 H LYS 13 H LYS 13 3.082 9.256 0.642 86 HA LYS 13 HA LYS 13 4.766 10.399 -0.587 87 1HB LYS 13 2HB LYS 13 6.320 8.632 -1.493 88 2HB LYS 13 1HB LYS 13 5.772 8.353 0.162 89 1HG LYS 13 2HG LYS 13 4.145 6.748 -0.560 90 2HG LYS 13 1HG LYS 13 4.415 7.170 -2.251 91 1HD LYS 13 2HD LYS 13 5.615 5.110 -1.788 92 2HD LYS 13 1HD LYS 13 6.794 6.406 -1.998 93 1HE LYS 13 2HE LYS 13 6.135 6.467 0.739 94 2HE LYS 13 1HE LYS 13 6.337 4.750 0.338 95 1HZ LYS 13 1HZ LYS 13 8.420 6.205 0.843 96 2HZ LYS 13 2HZ LYS 13 8.220 6.722 -0.764 97 3HZ LYS 13 3HZ LYS 13 8.465 5.076 -0.423 98 H CYS 14 H CYS 14 5.444 8.432 -3.161 99 HA CYS 14 HA CYS 14 3.762 10.124 -4.971 100 1HB CYS 14 2HB CYS 14 5.640 10.174 -6.440 101 2HB CYS 14 1HB CYS 14 6.305 10.409 -4.822 102 H ASN 15 H ASN 15 2.887 7.505 -3.909 103 HA ASN 15 HA ASN 15 2.099 6.279 -6.429 104 1HB ASN 15 2HB ASN 15 4.469 5.349 -4.937 105 2HB ASN 15 1HB ASN 15 3.371 4.079 -5.470 106 1HD2 ASN 15 1HD2 ASN 15 5.941 6.068 -6.491 107 2HD2 ASN 15 2HD2 ASN 15 5.777 5.830 -8.172 108 H THR 16 H THR 16 2.779 4.204 -3.704 109 HA THR 16 HA THR 16 0.348 4.542 -2.216 110 HB THR 16 HB THR 16 0.324 2.977 -4.752 111 HG1 THR 16 1HG THR 16 -2.056 3.581 -4.073 112 1HG2 THR 16 1HG2 THR 16 0.094 1.230 -2.933 113 2HG2 THR 16 2HG2 THR 16 -1.295 1.358 -4.009 114 3HG2 THR 16 3HG2 THR 16 -1.360 2.075 -2.402 115 H CYS 17 H CYS 17 -0.160 2.397 -1.019 116 HA CYS 17 HA CYS 17 2.266 0.731 -0.603 117 1HB CYS 17 2HB CYS 17 1.285 2.976 0.975 118 2HB CYS 17 1HB CYS 17 1.388 1.507 1.932 119 H ARG 18 H ARG 18 0.804 -0.996 -1.406 120 HA ARG 18 HA ARG 18 -1.773 -1.600 -0.402 121 1HB ARG 18 2HB ARG 18 -0.807 -2.664 -2.356 122 2HB ARG 18 1HB ARG 18 0.496 -3.356 -1.385 123 1HG ARG 18 2HG ARG 18 -1.119 -5.104 -1.709 124 2HG ARG 18 1HG ARG 18 -1.296 -4.557 -0.042 125 1HD ARG 18 2HD ARG 18 -3.431 -3.880 -0.412 126 2HD ARG 18 1HD ARG 18 -2.961 -3.006 -1.885 127 HE ARG 18 HE ARG 18 -3.128 -5.978 -1.976 128 1HH1 ARG 18 1HH2 ARG 18 -5.224 -3.403 -2.218 129 2HH1 ARG 18 2HH2 ARG 18 -5.724 -3.720 -3.847 130 1HH2 ARG 18 1HH1 ARG 18 -3.322 -6.161 -4.389 131 2HH2 ARG 18 2HH1 ARG 18 -4.650 -5.284 -5.073 132 H CYS 19 H CYS 19 -2.257 -1.824 1.751 133 HA CYS 19 HA CYS 19 -0.496 -2.390 3.876 134 1HB CYS 19 2HB CYS 19 -3.036 -1.657 3.670 135 2HB CYS 19 1HB CYS 19 -3.328 -3.386 3.884 136 H GLY 20 H GLY 20 0.432 -4.269 4.628 137 1HA GLY 20 2HA GLY 20 0.539 -6.638 3.094 138 2HA GLY 20 1HA GLY 20 0.970 -6.545 4.805 139 H SER 21 H SER 21 -0.016 -8.770 4.809 140 HA SER 21 HA SER 21 -2.977 -8.846 4.634 141 1HB SER 21 2HB SER 21 -1.074 -11.066 5.392 142 2HB SER 21 1HB SER 21 -2.658 -11.203 4.635 143 HG SER 21 HG SER 21 -0.544 -11.304 3.333 144 H ASP 22 H ASP 22 -0.445 -8.648 7.021 145 HA ASP 22 HA ASP 22 -2.427 -9.238 9.192 146 1HB ASP 22 2HB ASP 22 -0.248 -9.498 10.526 147 2HB ASP 22 1HB ASP 22 -0.542 -10.710 9.273 148 H GLY 23 H GLY 23 -1.443 -6.639 7.569 149 1HA GLY 23 2HA GLY 23 -1.573 -4.352 8.139 150 2HA GLY 23 1HA GLY 23 -1.892 -4.829 9.809 151 H LYS 24 H LYS 24 -0.251 -2.790 9.746 152 HA LYS 24 HA LYS 24 1.911 -2.043 10.351 153 1HB LYS 24 2HB LYS 24 1.821 -4.958 11.134 154 2HB LYS 24 1HB LYS 24 3.258 -3.981 11.441 155 1HG LYS 24 2HG LYS 24 1.976 -3.790 13.427 156 2HG LYS 24 1HG LYS 24 1.657 -2.293 12.547 157 1HD LYS 24 2HD LYS 24 -0.523 -2.813 12.215 158 2HD LYS 24 1HD LYS 24 -0.154 -4.494 11.826 159 1HE LYS 24 2HE LYS 24 0.409 -4.058 14.613 160 2HE LYS 24 1HE LYS 24 -1.238 -3.501 14.257 161 1HZ LYS 24 1HZ LYS 24 -0.056 -6.128 13.529 162 2HZ LYS 24 2HZ LYS 24 -1.574 -5.581 12.996 163 3HZ LYS 24 3HZ LYS 24 -1.298 -5.856 14.651 164 H SER 25 H SER 25 1.385 -3.175 7.582 165 HA SER 25 HA SER 25 4.174 -3.164 6.692 166 1HB SER 25 2HB SER 25 2.481 -5.654 6.818 167 2HB SER 25 1HB SER 25 3.730 -5.494 5.582 168 HG SER 25 HG SER 25 5.050 -6.078 7.102 169 H ALA 26 H ALA 26 4.293 -2.745 4.438 170 HA ALA 26 HA ALA 26 1.756 -2.771 2.886 171 1HB ALA 26 1HB ALA 26 3.548 -0.350 3.241 172 2HB ALA 26 2HB ALA 26 2.009 -0.583 4.068 173 3HB ALA 26 3HB ALA 26 2.050 -0.410 2.314 174 H ALA 27 H ALA 27 2.150 -3.348 0.757 175 HA ALA 27 HA ALA 27 4.714 -4.256 -0.111 176 1HB ALA 27 1HB ALA 27 3.590 -4.582 -2.208 177 2HB ALA 27 2HB ALA 27 2.442 -3.290 -1.864 178 3HB ALA 27 3HB ALA 27 2.357 -4.805 -0.966 179 H CYS 28 H CYS 28 2.898 -1.459 -1.354 180 HA CYS 28 HA CYS 28 3.628 0.668 -2.051 181 1HB CYS 28 2HB CYS 28 6.163 -0.060 -0.569 182 2HB CYS 28 1HB CYS 28 5.492 1.549 -0.828 183 H THR 29 H THR 29 3.902 0.493 -4.261 184 HA THR 29 HA THR 29 6.136 -0.942 -5.482 185 HB THR 29 HB THR 29 4.232 -0.867 -6.843 186 HG1 THR 29 1HG THR 29 6.120 -0.075 -7.933 187 1HG2 THR 29 1HG2 THR 29 3.768 1.725 -5.540 188 2HG2 THR 29 2HG2 THR 29 2.608 0.575 -6.198 189 3HG2 THR 29 3HG2 THR 29 3.391 1.742 -7.262 190 H LEU 30 H LEU 30 5.315 2.473 -6.045 191 HA LEU 30 HA LEU 30 6.852 4.187 -6.704 192 1HB LEU 30 2HB LEU 30 7.892 4.873 -4.395 193 2HB LEU 30 1HB LEU 30 6.151 4.913 -4.618 194 HG LEU 30 HG LEU 30 7.291 2.335 -3.684 195 1HD1 LEU 30 1HD1 LEU 30 7.801 4.865 -2.339 196 2HD1 LEU 30 2HD1 LEU 30 8.432 3.258 -1.978 197 3HD1 LEU 30 3HD1 LEU 30 6.870 3.758 -1.331 198 1HD2 LEU 30 1HD2 LEU 30 5.216 2.898 -2.077 199 2HD2 LEU 30 2HD2 LEU 30 4.978 2.260 -3.704 200 3HD2 LEU 30 3HD2 LEU 30 4.820 3.989 -3.405 201 H LYS 31 H LYS 31 8.601 3.836 -7.979 202 HA LYS 31 HA LYS 31 10.920 2.280 -7.003 203 1HB LYS 31 2HB LYS 31 10.893 3.924 -9.523 204 2HB LYS 31 1HB LYS 31 11.575 2.328 -9.252 205 1HG LYS 31 2HG LYS 31 8.678 2.285 -8.933 206 2HG LYS 31 1HG LYS 31 9.143 2.901 -10.513 207 1HD LYS 31 2HD LYS 31 10.121 0.915 -11.145 208 2HD LYS 31 1HD LYS 31 10.550 0.477 -9.489 209 1HE LYS 31 2HE LYS 31 8.494 -0.475 -9.064 210 2HE LYS 31 1HE LYS 31 7.635 0.671 -10.113 211 1HZ LYS 31 1HZ LYS 31 7.694 -1.419 -11.236 212 2HZ LYS 31 2HZ LYS 31 9.361 -1.593 -10.965 213 3HZ LYS 31 3HZ LYS 31 8.791 -0.394 -12.025 214 H ALA 32 H ALA 32 10.587 4.206 -5.257 215 HA ALA 32 HA ALA 32 11.865 5.896 -4.182 216 1HB ALA 32 1HB ALA 32 13.153 6.802 -6.682 217 2HB ALA 32 2HB ALA 32 13.495 5.130 -6.233 218 3HB ALA 32 3HB ALA 32 13.873 6.440 -5.113 219 H CYS 33 H CYS 33 11.327 8.106 -3.932 220 HA CYS 33 HA CYS 33 9.472 9.173 -6.032 221 1HB CYS 33 2HB CYS 33 9.553 9.491 -3.016 222 2HB CYS 33 1HB CYS 33 8.453 10.393 -4.063 223 HA PRO 34 HA PRO 34 12.857 12.177 -6.081 224 1HB PRO 34 2HB PRO 34 12.368 13.017 -8.635 225 2HB PRO 34 1HB PRO 34 13.310 11.558 -8.264 226 1HG PRO 34 2HG PRO 34 10.490 11.813 -9.161 227 2HG PRO 34 1HG PRO 34 11.697 10.579 -9.556 228 1HD PRO 34 2HD PRO 34 9.664 10.239 -7.735 229 2HD PRO 34 1HD PRO 34 11.187 9.318 -7.730 230 H GLN 35 H GLN 35 9.577 12.658 -7.379 231 HA GLN 35 HA GLN 35 9.314 15.156 -5.809 232 1HB GLN 35 2HB GLN 35 10.201 15.155 -8.463 233 2HB GLN 35 1HB GLN 35 8.485 15.550 -8.581 234 1HG GLN 35 2HG GLN 35 8.704 17.471 -7.243 235 2HG GLN 35 1HG GLN 35 10.232 16.926 -6.549 236 1HE2 GLN 35 1HE2 GLN 35 9.395 19.413 -8.261 237 2HE2 GLN 35 2HE2 GLN 35 10.591 19.467 -9.467 Start of MODEL 3 1 1H GLU 1 1HT GLU 1 5.365 -0.836 11.086 2 2H GLU 1 2HT GLU 1 6.808 -0.391 11.866 3 3H GLU 1 3HT GLU 1 6.705 -0.341 10.171 4 HA GLU 1 HA GLU 1 5.585 1.522 12.156 5 1HB GLU 1 2HB GLU 1 7.721 1.963 11.059 6 2HB GLU 1 1HB GLU 1 7.001 1.665 9.476 7 1HG GLU 1 2HG GLU 1 7.043 4.037 9.716 8 2HG GLU 1 1HG GLU 1 5.371 3.562 10.023 9 H VAL 2 H VAL 2 4.880 -0.076 9.090 10 HA VAL 2 HA VAL 2 2.904 1.623 8.011 11 HB VAL 2 HB VAL 2 3.163 -1.401 8.103 12 1HG1 VAL 2 1HG1 VAL 2 1.663 0.144 5.997 13 2HG1 VAL 2 2HG1 VAL 2 0.852 -0.359 7.481 14 3HG1 VAL 2 3HG1 VAL 2 1.550 -1.568 6.405 15 1HG2 VAL 2 1HG2 VAL 2 4.071 0.748 6.169 16 2HG2 VAL 2 2HG2 VAL 2 4.050 -0.966 5.757 17 3HG2 VAL 2 3HG2 VAL 2 5.080 -0.386 7.066 18 H THR 3 H THR 3 1.014 2.322 8.927 19 HA THR 3 HA THR 3 -0.293 0.581 10.991 20 HB THR 3 HB THR 3 0.657 2.729 11.794 21 HG1 THR 3 1HG THR 3 -1.637 3.623 12.293 22 1HG2 THR 3 1HG2 THR 3 -0.339 3.669 9.321 23 2HG2 THR 3 2HG2 THR 3 0.501 4.600 10.561 24 3HG2 THR 3 3HG2 THR 3 -1.260 4.501 10.574 25 H CYS 4 H CYS 4 -1.420 -0.468 9.107 26 HA CYS 4 HA CYS 4 -3.896 1.037 8.436 27 1HB CYS 4 2HB CYS 4 -3.544 0.384 6.022 28 2HB CYS 4 1HB CYS 4 -2.348 1.536 6.627 29 H GLU 5 H GLU 5 -5.487 -0.512 7.328 30 HA GLU 5 HA GLU 5 -5.428 -3.107 8.739 31 1HB GLU 5 2HB GLU 5 -7.439 -1.638 7.007 32 2HB GLU 5 1HB GLU 5 -7.763 -3.199 7.761 33 1HG GLU 5 2HG GLU 5 -6.880 -0.760 9.323 34 2HG GLU 5 1HG GLU 5 -8.573 -1.196 9.086 35 HA PRO 6 HA PRO 6 -4.040 -5.351 5.221 36 1HB PRO 6 2HB PRO 6 -5.121 -7.801 5.801 37 2HB PRO 6 1HB PRO 6 -3.711 -7.137 6.649 38 1HG PRO 6 2HG PRO 6 -6.558 -7.230 7.505 39 2HG PRO 6 1HG PRO 6 -5.086 -7.467 8.456 40 1HD PRO 6 2HD PRO 6 -6.524 -5.151 8.468 41 2HD PRO 6 1HD PRO 6 -4.773 -5.222 8.780 42 H GLY 7 H GLY 7 -4.950 -5.062 3.228 43 1HA GLY 7 2HA GLY 7 -6.506 -5.689 1.489 44 2HA GLY 7 1HA GLY 7 -7.687 -6.110 2.738 45 H THR 8 H THR 8 -5.770 -3.144 2.264 46 HA THR 8 HA THR 8 -8.207 -1.607 1.600 47 HB THR 8 HB THR 8 -6.564 -0.936 4.050 48 HG1 THR 8 1HG THR 8 -7.855 -2.168 5.211 49 1HG2 THR 8 1HG2 THR 8 -9.276 -0.093 4.177 50 2HG2 THR 8 2HG2 THR 8 -8.663 0.351 2.584 51 3HG2 THR 8 3HG2 THR 8 -7.835 0.913 4.037 52 H THR 9 H THR 9 -4.725 -1.674 2.217 53 HA THR 9 HA THR 9 -3.003 -0.204 1.517 54 HB THR 9 HB THR 9 -3.766 -1.619 -0.450 55 HG1 THR 9 1HG THR 9 -2.060 0.225 -0.338 56 1HG2 THR 9 1HG2 THR 9 -5.918 -0.750 -0.947 57 2HG2 THR 9 2HG2 THR 9 -4.892 -0.213 -2.277 58 3HG2 THR 9 3HG2 THR 9 -5.323 0.910 -0.988 59 H PHE 10 H PHE 10 -2.966 1.923 -0.235 60 HA PHE 10 HA PHE 10 -5.064 3.844 0.038 61 1HB PHE 10 2HB PHE 10 -3.763 5.223 1.836 62 2HB PHE 10 1HB PHE 10 -4.735 3.854 2.374 63 HD1 PHE 10 1HD PHE 10 -3.734 1.911 3.338 64 HD2 PHE 10 2HD PHE 10 -1.278 4.964 1.581 65 HE1 PHE 10 1HE PHE 10 -1.718 0.848 4.312 66 HE2 PHE 10 2HE PHE 10 0.741 3.900 2.555 67 HZ PHE 10 HZ PHE 10 0.521 1.839 3.921 68 H LYS 11 H LYS 11 -3.833 6.220 0.005 69 HA LYS 11 HA LYS 11 -1.891 5.961 -2.245 70 1HB LYS 11 2HB LYS 11 -4.037 7.812 -1.389 71 2HB LYS 11 1HB LYS 11 -2.631 8.585 -2.124 72 1HG LYS 11 2HG LYS 11 -2.814 7.026 -4.054 73 2HG LYS 11 1HG LYS 11 -4.269 6.337 -3.334 74 1HD LYS 11 2HD LYS 11 -5.483 7.955 -4.313 75 2HD LYS 11 1HD LYS 11 -4.622 9.152 -3.345 76 1HE LYS 11 2HE LYS 11 -4.128 9.873 -5.526 77 2HE LYS 11 1HE LYS 11 -2.739 8.819 -5.192 78 1HZ LYS 11 1HZ LYS 11 -3.739 7.033 -6.302 79 2HZ LYS 11 2HZ LYS 11 -4.016 8.363 -7.321 80 3HZ LYS 11 3HZ LYS 11 -5.264 7.775 -6.330 81 H ASP 12 H ASP 12 0.142 5.817 -1.259 82 HA ASP 12 HA ASP 12 0.893 8.073 0.568 83 1HB ASP 12 2HB ASP 12 0.665 5.535 1.345 84 2HB ASP 12 1HB ASP 12 2.258 5.403 0.591 85 H LYS 13 H LYS 13 3.424 8.274 0.511 86 HA LYS 13 HA LYS 13 5.239 8.943 -0.851 87 1HB LYS 13 2HB LYS 13 4.744 6.437 -2.413 88 2HB LYS 13 1HB LYS 13 6.263 7.066 -1.765 89 1HG LYS 13 2HG LYS 13 4.843 6.675 0.531 90 2HG LYS 13 1HG LYS 13 4.218 5.385 -0.475 91 1HD LYS 13 2HD LYS 13 6.059 4.271 0.324 92 2HD LYS 13 1HD LYS 13 6.843 5.102 -1.019 93 1HE LYS 13 2HE LYS 13 7.389 6.996 0.565 94 2HE LYS 13 1HE LYS 13 6.790 5.975 1.889 95 1HZ LYS 13 1HZ LYS 13 9.306 5.884 0.909 96 2HZ LYS 13 2HZ LYS 13 8.559 4.620 0.055 97 3HZ LYS 13 3HZ LYS 13 8.553 4.622 1.755 98 H CYS 14 H CYS 14 5.448 7.919 -3.700 99 HA CYS 14 HA CYS 14 3.648 9.977 -4.902 100 1HB CYS 14 2HB CYS 14 5.719 8.573 -6.518 101 2HB CYS 14 1HB CYS 14 5.342 10.290 -6.437 102 H ASN 15 H ASN 15 3.147 6.934 -4.138 103 HA ASN 15 HA ASN 15 1.626 6.364 -6.632 104 1HB ASN 15 2HB ASN 15 3.926 4.817 -5.478 105 2HB ASN 15 1HB ASN 15 2.652 3.951 -6.335 106 1HD2 ASN 15 1HD2 ASN 15 5.469 4.363 -7.232 107 2HD2 ASN 15 2HD2 ASN 15 5.364 5.188 -8.722 108 H THR 16 H THR 16 2.406 3.947 -4.210 109 HA THR 16 HA THR 16 0.011 4.391 -2.581 110 HB THR 16 HB THR 16 0.095 2.546 -4.943 111 HG1 THR 16 1HG THR 16 -1.660 4.350 -3.718 112 1HG2 THR 16 1HG2 THR 16 -1.605 2.010 -2.492 113 2HG2 THR 16 2HG2 THR 16 -0.197 1.056 -2.958 114 3HG2 THR 16 3HG2 THR 16 -1.618 1.098 -4.003 115 H CYS 17 H CYS 17 -0.365 2.432 -1.157 116 HA CYS 17 HA CYS 17 2.119 0.874 -0.651 117 1HB CYS 17 2HB CYS 17 1.029 3.170 0.776 118 2HB CYS 17 1HB CYS 17 1.184 1.773 1.826 119 H ARG 18 H ARG 18 0.874 -1.012 -1.252 120 HA ARG 18 HA ARG 18 -1.723 -1.682 -0.307 121 1HB ARG 18 2HB ARG 18 -0.858 -2.910 -2.105 122 2HB ARG 18 1HB ARG 18 0.698 -3.152 -1.317 123 1HG ARG 18 2HG ARG 18 -0.500 -5.258 -1.280 124 2HG ARG 18 1HG ARG 18 -0.454 -4.624 0.365 125 1HD ARG 18 2HD ARG 18 -2.736 -3.864 0.228 126 2HD ARG 18 1HD ARG 18 -2.794 -4.180 -1.518 127 HE ARG 18 HE ARG 18 -2.059 -6.525 0.074 128 1HH1 ARG 18 1HH2 ARG 18 -3.695 -6.139 -2.575 129 2HH1 ARG 18 2HH2 ARG 18 -5.225 -6.768 -2.061 130 1HH2 ARG 18 1HH1 ARG 18 -4.422 -6.690 1.313 131 2HH2 ARG 18 2HH1 ARG 18 -5.638 -7.080 0.143 132 H CYS 19 H CYS 19 -2.404 -2.213 1.720 133 HA CYS 19 HA CYS 19 -0.500 -2.531 3.919 134 1HB CYS 19 2HB CYS 19 -2.838 -1.407 3.844 135 2HB CYS 19 1HB CYS 19 -3.478 -3.048 3.964 136 H GLY 20 H GLY 20 0.512 -4.472 4.205 137 1HA GLY 20 2HA GLY 20 -0.138 -6.922 3.001 138 2HA GLY 20 1HA GLY 20 0.796 -6.784 4.494 139 H SER 21 H SER 21 -0.682 -8.958 4.470 140 HA SER 21 HA SER 21 -3.429 -8.619 5.363 141 1HB SER 21 2HB SER 21 -1.959 -10.619 4.297 142 2HB SER 21 1HB SER 21 -1.843 -11.060 5.999 143 HG SER 21 HG SER 21 -3.942 -11.443 6.054 144 H ASP 22 H ASP 22 -0.433 -8.146 6.878 145 HA ASP 22 HA ASP 22 -1.489 -8.815 9.589 146 1HB ASP 22 2HB ASP 22 1.147 -8.578 8.242 147 2HB ASP 22 1HB ASP 22 1.100 -8.042 9.926 148 H GLY 23 H GLY 23 -1.637 -6.256 7.558 149 1HA GLY 23 2HA GLY 23 -2.148 -3.994 7.955 150 2HA GLY 23 1HA GLY 23 -2.131 -4.356 9.684 151 H LYS 24 H LYS 24 0.287 -4.957 10.412 152 HA LYS 24 HA LYS 24 1.853 -2.532 9.942 153 1HB LYS 24 2HB LYS 24 1.499 -4.404 11.955 154 2HB LYS 24 1HB LYS 24 3.113 -4.781 11.352 155 1HG LYS 24 2HG LYS 24 3.880 -2.548 11.741 156 2HG LYS 24 1HG LYS 24 2.240 -1.967 12.037 157 1HD LYS 24 2HD LYS 24 3.386 -4.157 13.750 158 2HD LYS 24 1HD LYS 24 3.795 -2.473 14.083 159 1HE LYS 24 2HE LYS 24 0.905 -3.116 13.652 160 2HE LYS 24 1HE LYS 24 1.640 -3.601 15.193 161 1HZ LYS 24 1HZ LYS 24 1.952 -0.903 13.995 162 2HZ LYS 24 2HZ LYS 24 2.430 -1.401 15.547 163 3HZ LYS 24 3HZ LYS 24 0.781 -1.274 15.163 164 H SER 25 H SER 25 1.647 -3.799 7.475 165 HA SER 25 HA SER 25 4.443 -4.256 6.795 166 1HB SER 25 2HB SER 25 2.446 -6.531 6.929 167 2HB SER 25 1HB SER 25 3.932 -6.633 5.983 168 HG SER 25 HG SER 25 5.089 -6.240 7.903 169 H ALA 26 H ALA 26 4.156 -2.746 5.103 170 HA ALA 26 HA ALA 26 2.044 -3.397 3.079 171 1HB ALA 26 1HB ALA 26 3.416 -0.858 3.977 172 2HB ALA 26 2HB ALA 26 1.693 -1.233 4.002 173 3HB ALA 26 3HB ALA 26 2.508 -0.930 2.468 174 H ALA 27 H ALA 27 2.703 -2.904 0.795 175 HA ALA 27 HA ALA 27 5.547 -3.698 0.342 176 1HB ALA 27 1HB ALA 27 4.494 -5.180 -1.009 177 2HB ALA 27 2HB ALA 27 4.038 -3.822 -2.036 178 3HB ALA 27 3HB ALA 27 2.949 -4.367 -0.760 179 H CYS 28 H CYS 28 3.036 -1.671 -1.167 180 HA CYS 28 HA CYS 28 3.172 0.471 -2.138 181 1HB CYS 28 2HB CYS 28 5.935 0.570 -0.906 182 2HB CYS 28 1HB CYS 28 4.859 1.919 -1.248 183 H THR 29 H THR 29 3.791 1.168 -4.177 184 HA THR 29 HA THR 29 6.011 -0.359 -5.499 185 HB THR 29 HB THR 29 3.691 -0.781 -6.298 186 HG1 THR 29 1HG THR 29 4.996 0.777 -8.244 187 1HG2 THR 29 1HG2 THR 29 2.217 0.893 -6.627 188 2HG2 THR 29 2HG2 THR 29 3.363 1.793 -7.621 189 3HG2 THR 29 3HG2 THR 29 3.395 1.961 -5.865 190 H LEU 30 H LEU 30 7.583 1.288 -4.821 191 HA LEU 30 HA LEU 30 7.341 3.833 -6.391 192 1HB LEU 30 2HB LEU 30 8.719 4.752 -4.395 193 2HB LEU 30 1HB LEU 30 7.008 4.423 -4.117 194 HG LEU 30 HG LEU 30 8.872 2.156 -3.651 195 1HD1 LEU 30 1HD1 LEU 30 8.982 4.743 -2.171 196 2HD1 LEU 30 2HD1 LEU 30 10.252 3.552 -2.447 197 3HD1 LEU 30 3HD1 LEU 30 9.026 3.262 -1.213 198 1HD2 LEU 30 1HD2 LEU 30 7.302 1.717 -1.839 199 2HD2 LEU 30 2HD2 LEU 30 6.389 2.085 -3.303 200 3HD2 LEU 30 3HD2 LEU 30 6.570 3.308 -2.045 201 H LYS 31 H LYS 31 9.215 4.430 -7.509 202 HA LYS 31 HA LYS 31 11.599 2.632 -7.188 203 1HB LYS 31 2HB LYS 31 9.852 2.780 -9.309 204 2HB LYS 31 1HB LYS 31 11.121 3.897 -9.809 205 1HG LYS 31 2HG LYS 31 11.783 1.742 -10.613 206 2HG LYS 31 1HG LYS 31 12.792 2.072 -9.205 207 1HD LYS 31 2HD LYS 31 12.006 -0.177 -8.952 208 2HD LYS 31 1HD LYS 31 11.071 0.806 -7.824 209 1HE LYS 31 2HE LYS 31 9.441 -0.547 -8.920 210 2HE LYS 31 1HE LYS 31 9.344 1.011 -9.763 211 1HZ LYS 31 1HZ LYS 31 10.763 -1.445 -10.611 212 2HZ LYS 31 2HZ LYS 31 11.154 0.077 -11.257 213 3HZ LYS 31 3HZ LYS 31 9.594 -0.561 -11.463 214 H ALA 32 H ALA 32 10.515 5.839 -8.366 215 HA ALA 32 HA ALA 32 13.262 6.895 -7.830 216 1HB ALA 32 1HB ALA 32 11.618 8.778 -9.166 217 2HB ALA 32 2HB ALA 32 11.256 7.207 -9.882 218 3HB ALA 32 3HB ALA 32 12.913 7.809 -9.866 219 H CYS 33 H CYS 33 10.180 8.628 -7.934 220 HA CYS 33 HA CYS 33 9.163 10.065 -6.359 221 1HB CYS 33 2HB CYS 33 10.402 7.829 -4.797 222 2HB CYS 33 1HB CYS 33 9.749 9.215 -3.918 223 HA PRO 34 HA PRO 34 12.155 13.042 -5.140 224 1HB PRO 34 2HB PRO 34 10.844 14.338 -3.128 225 2HB PRO 34 1HB PRO 34 10.367 14.484 -4.832 226 1HG PRO 34 2HG PRO 34 9.150 12.875 -2.657 227 2HG PRO 34 1HG PRO 34 8.379 13.715 -4.010 228 1HD PRO 34 2HD PRO 34 8.845 11.000 -3.899 229 2HD PRO 34 1HD PRO 34 8.599 11.928 -5.396 230 H GLN 35 H GLN 35 13.096 10.754 -4.122 231 HA GLN 35 HA GLN 35 14.413 9.861 -2.372 232 1HB GLN 35 2HB GLN 35 15.290 12.186 -2.447 233 2HB GLN 35 1HB GLN 35 14.036 12.683 -1.312 234 1HG GLN 35 2HG GLN 35 15.670 10.350 -0.484 235 2HG GLN 35 1HG GLN 35 16.508 11.902 -0.527 236 1HE2 GLN 35 1HE2 GLN 35 16.505 12.698 1.590 237 2HE2 GLN 35 2HE2 GLN 35 15.148 12.730 2.610 Start of MODEL 4 1 1H GLU 1 1HT GLU 1 7.982 0.178 9.817 2 2H GLU 1 2HT GLU 1 6.985 0.073 8.446 3 3H GLU 1 3HT GLU 1 6.469 -0.580 9.928 4 HA GLU 1 HA GLU 1 6.293 1.600 10.905 5 1HB GLU 1 2HB GLU 1 7.747 2.210 8.349 6 2HB GLU 1 1HB GLU 1 6.781 3.476 9.110 7 1HG GLU 1 2HG GLU 1 8.487 3.869 10.522 8 2HG GLU 1 1HG GLU 1 8.253 2.253 11.190 9 H VAL 2 H VAL 2 4.412 -0.142 9.881 10 HA VAL 2 HA VAL 2 2.708 1.596 8.127 11 HB VAL 2 HB VAL 2 2.651 -1.416 8.494 12 1HG1 VAL 2 1HG1 VAL 2 1.101 0.568 6.924 13 2HG1 VAL 2 2HG1 VAL 2 0.612 -1.010 7.544 14 3HG1 VAL 2 3HG1 VAL 2 1.569 -0.901 6.067 15 1HG2 VAL 2 1HG2 VAL 2 3.719 0.031 6.075 16 2HG2 VAL 2 2HG2 VAL 2 3.987 -1.641 6.568 17 3HG2 VAL 2 3HG2 VAL 2 4.774 -0.327 7.443 18 H THR 3 H THR 3 0.308 1.160 8.504 19 HA THR 3 HA THR 3 -0.577 0.100 11.066 20 HB THR 3 HB THR 3 0.512 2.150 11.832 21 HG1 THR 3 1HG THR 3 -1.155 2.785 12.979 22 1HG2 THR 3 1HG2 THR 3 0.292 3.201 9.483 23 2HG2 THR 3 2HG2 THR 3 0.146 4.276 10.873 24 3HG2 THR 3 3HG2 THR 3 -1.300 3.737 10.021 25 H CYS 4 H CYS 4 -1.794 -0.847 9.096 26 HA CYS 4 HA CYS 4 -4.303 0.705 8.703 27 1HB CYS 4 2HB CYS 4 -4.053 0.186 6.211 28 2HB CYS 4 1HB CYS 4 -2.923 1.384 6.851 29 H GLU 5 H GLU 5 -5.835 -0.787 7.284 30 HA GLU 5 HA GLU 5 -5.885 -3.437 8.592 31 1HB GLU 5 2HB GLU 5 -7.716 -1.529 7.351 32 2HB GLU 5 1HB GLU 5 -8.027 -3.181 6.817 33 1HG GLU 5 2HG GLU 5 -9.298 -2.607 8.878 34 2HG GLU 5 1HG GLU 5 -8.170 -3.938 9.140 35 HA PRO 6 HA PRO 6 -4.218 -5.528 5.101 36 1HB PRO 6 2HB PRO 6 -5.423 -7.971 5.388 37 2HB PRO 6 1HB PRO 6 -4.096 -7.416 6.428 38 1HG PRO 6 2HG PRO 6 -7.024 -7.457 6.959 39 2HG PRO 6 1HG PRO 6 -5.677 -7.817 8.048 40 1HD PRO 6 2HD PRO 6 -7.032 -5.455 8.075 41 2HD PRO 6 1HD PRO 6 -5.325 -5.608 8.558 42 H GLY 7 H GLY 7 -5.094 -4.571 3.243 43 1HA GLY 7 2HA GLY 7 -6.390 -5.261 1.223 44 2HA GLY 7 1HA GLY 7 -7.718 -5.671 2.313 45 H THR 8 H THR 8 -5.618 -2.784 2.163 46 HA THR 8 HA THR 8 -7.980 -1.124 1.442 47 HB THR 8 HB THR 8 -6.292 -0.864 3.947 48 HG1 THR 8 1HG THR 8 -7.876 -1.970 4.721 49 1HG2 THR 8 1HG2 THR 8 -8.430 0.961 2.815 50 2HG2 THR 8 2HG2 THR 8 -6.724 1.353 3.033 51 3HG2 THR 8 3HG2 THR 8 -7.756 1.095 4.440 52 H THR 9 H THR 9 -4.495 -1.347 2.024 53 HA THR 9 HA THR 9 -2.704 -0.004 1.261 54 HB THR 9 HB THR 9 -3.574 -1.395 -0.674 55 HG1 THR 9 1HG THR 9 -1.783 0.389 -0.615 56 1HG2 THR 9 1HG2 THR 9 -5.053 1.179 -1.170 57 2HG2 THR 9 2HG2 THR 9 -5.663 -0.474 -1.221 58 3HG2 THR 9 3HG2 THR 9 -4.615 0.120 -2.510 59 H PHE 10 H PHE 10 -2.425 2.122 -0.356 60 HA PHE 10 HA PHE 10 -4.370 4.189 -0.284 61 1HB PHE 10 2HB PHE 10 -3.274 5.422 1.741 62 2HB PHE 10 1HB PHE 10 -4.411 4.117 2.070 63 HD1 PHE 10 1HD PHE 10 -0.775 4.900 1.748 64 HD2 PHE 10 2HD PHE 10 -3.738 2.172 3.242 65 HE1 PHE 10 1HE PHE 10 0.981 3.680 3.008 66 HE2 PHE 10 2HE PHE 10 -1.984 0.955 4.495 67 HZ PHE 10 HZ PHE 10 0.374 1.705 4.384 68 H LYS 11 H LYS 11 -2.910 6.468 0.078 69 HA LYS 11 HA LYS 11 -0.734 6.152 -1.945 70 1HB LYS 11 2HB LYS 11 -2.906 7.984 -1.445 71 2HB LYS 11 1HB LYS 11 -1.380 8.869 -1.457 72 1HG LYS 11 2HG LYS 11 -1.012 8.468 -3.672 73 2HG LYS 11 1HG LYS 11 -1.682 6.838 -3.591 74 1HD LYS 11 2HD LYS 11 -3.966 8.068 -3.252 75 2HD LYS 11 1HD LYS 11 -3.123 9.456 -3.940 76 1HE LYS 11 2HE LYS 11 -2.769 6.891 -5.403 77 2HE LYS 11 1HE LYS 11 -4.386 7.619 -5.482 78 1HZ LYS 11 1HZ LYS 11 -2.961 8.551 -7.196 79 2HZ LYS 11 2HZ LYS 11 -1.817 9.015 -6.029 80 3HZ LYS 11 3HZ LYS 11 -3.353 9.740 -6.052 81 H ASP 12 H ASP 12 1.261 6.011 -1.004 82 HA ASP 12 HA ASP 12 1.856 7.811 1.325 83 1HB ASP 12 2HB ASP 12 1.839 5.028 1.172 84 2HB ASP 12 1HB ASP 12 3.548 5.442 0.992 85 H LYS 13 H LYS 13 3.832 8.946 1.202 86 HA LYS 13 HA LYS 13 5.458 10.153 -0.049 87 1HB LYS 13 2HB LYS 13 7.303 8.630 -0.597 88 2HB LYS 13 1HB LYS 13 6.554 8.155 0.932 89 1HG LYS 13 2HG LYS 13 5.361 6.365 -0.102 90 2HG LYS 13 1HG LYS 13 5.743 6.962 -1.716 91 1HD LYS 13 2HD LYS 13 8.233 6.651 -0.958 92 2HD LYS 13 1HD LYS 13 7.540 5.579 0.259 93 1HE LYS 13 2HE LYS 13 6.240 4.607 -1.875 94 2HE LYS 13 1HE LYS 13 7.682 5.228 -2.705 95 1HZ LYS 13 1HZ LYS 13 9.033 4.122 -0.965 96 2HZ LYS 13 2HZ LYS 13 8.160 3.028 -1.929 97 3HZ LYS 13 3HZ LYS 13 7.621 3.402 -0.362 98 H CYS 14 H CYS 14 6.830 8.953 -2.435 99 HA CYS 14 HA CYS 14 4.941 9.945 -4.443 100 1HB CYS 14 2HB CYS 14 6.844 9.833 -5.876 101 2HB CYS 14 1HB CYS 14 7.482 10.272 -4.288 102 H ASN 15 H ASN 15 3.975 7.520 -3.156 103 HA ASN 15 HA ASN 15 3.355 5.945 -5.502 104 1HB ASN 15 2HB ASN 15 5.671 5.264 -3.787 105 2HB ASN 15 1HB ASN 15 4.597 3.915 -4.157 106 1HD2 ASN 15 1HD2 ASN 15 7.375 5.187 -5.268 107 2HD2 ASN 15 2HD2 ASN 15 7.197 4.925 -6.944 108 H THR 16 H THR 16 2.727 3.516 -4.311 109 HA THR 16 HA THR 16 0.814 4.314 -2.139 110 HB THR 16 HB THR 16 0.564 2.904 -4.733 111 HG1 THR 16 1HG THR 16 -1.718 3.620 -4.049 112 1HG2 THR 16 1HG2 THR 16 -0.971 1.911 -2.312 113 2HG2 THR 16 2HG2 THR 16 0.258 0.997 -3.186 114 3HG2 THR 16 3HG2 THR 16 -1.254 1.428 -3.985 115 H CYS 17 H CYS 17 0.129 2.321 -0.831 116 HA CYS 17 HA CYS 17 2.299 0.289 -0.614 117 1HB CYS 17 2HB CYS 17 2.135 2.559 0.948 118 2HB CYS 17 1HB CYS 17 1.312 1.354 1.940 119 H ARG 18 H ARG 18 1.062 -1.548 -0.996 120 HA ARG 18 HA ARG 18 -1.718 -1.809 -0.242 121 1HB ARG 18 2HB ARG 18 -0.796 -3.024 -2.113 122 2HB ARG 18 1HB ARG 18 0.456 -3.742 -1.098 123 1HG ARG 18 2HG ARG 18 -1.259 -5.410 -1.419 124 2HG ARG 18 1HG ARG 18 -1.379 -4.840 0.245 125 1HD ARG 18 2HD ARG 18 -3.567 -4.408 -0.185 126 2HD ARG 18 1HD ARG 18 -3.010 -3.086 -1.230 127 HE ARG 18 HE ARG 18 -4.050 -5.617 -2.162 128 1HH1 ARG 18 1HH2 ARG 18 -3.267 -2.675 -3.292 129 2HH1 ARG 18 2HH2 ARG 18 -2.465 -3.190 -4.739 130 1HH2 ARG 18 1HH1 ARG 18 -2.331 -6.523 -3.793 131 2HH2 ARG 18 2HH1 ARG 18 -1.934 -5.370 -5.021 132 H CYS 19 H CYS 19 -2.313 -1.928 1.896 133 HA CYS 19 HA CYS 19 -0.686 -2.582 4.105 134 1HB CYS 19 2HB CYS 19 -3.110 -1.606 3.838 135 2HB CYS 19 1HB CYS 19 -3.609 -3.296 3.962 136 H GLY 20 H GLY 20 0.227 -4.507 4.700 137 1HA GLY 20 2HA GLY 20 -0.119 -6.922 3.229 138 2HA GLY 20 1HA GLY 20 0.642 -6.813 4.820 139 H SER 21 H SER 21 -0.741 -9.039 4.560 140 HA SER 21 HA SER 21 -3.581 -8.818 5.158 141 1HB SER 21 2HB SER 21 -1.773 -10.753 4.314 142 2HB SER 21 1HB SER 21 -2.191 -11.277 5.943 143 HG SER 21 HG SER 21 -4.131 -10.479 4.041 144 H ASP 22 H ASP 22 -0.804 -8.274 6.998 145 HA ASP 22 HA ASP 22 -2.020 -9.185 9.552 146 1HB ASP 22 2HB ASP 22 0.429 -9.507 8.712 147 2HB ASP 22 1HB ASP 22 0.639 -7.814 9.174 148 H GLY 23 H GLY 23 -2.153 -6.480 7.617 149 1HA GLY 23 2HA GLY 23 -3.212 -4.418 8.144 150 2HA GLY 23 1HA GLY 23 -3.086 -4.825 9.857 151 H LYS 24 H LYS 24 -0.101 -5.475 9.165 152 HA LYS 24 HA LYS 24 0.805 -2.646 9.511 153 1HB LYS 24 2HB LYS 24 1.526 -5.300 10.605 154 2HB LYS 24 1HB LYS 24 2.893 -4.241 10.260 155 1HG LYS 24 2HG LYS 24 2.076 -2.535 11.701 156 2HG LYS 24 1HG LYS 24 0.481 -3.282 11.805 157 1HD LYS 24 2HD LYS 24 2.996 -4.644 12.794 158 2HD LYS 24 1HD LYS 24 1.982 -3.639 13.831 159 1HE LYS 24 2HE LYS 24 0.523 -5.689 12.253 160 2HE LYS 24 1HE LYS 24 1.589 -6.318 13.524 161 1HZ LYS 24 1HZ LYS 24 0.322 -4.051 14.543 162 2HZ LYS 24 2HZ LYS 24 0.104 -5.666 15.023 163 3HZ LYS 24 3HZ LYS 24 -0.886 -4.995 13.818 164 H SER 25 H SER 25 3.010 -5.222 8.695 165 HA SER 25 HA SER 25 4.575 -4.116 6.804 166 1HB SER 25 2HB SER 25 3.270 -6.852 6.723 167 2HB SER 25 1HB SER 25 4.682 -6.410 5.764 168 HG SER 25 HG SER 25 5.703 -7.032 7.507 169 H ALA 26 H ALA 26 4.085 -2.829 5.096 170 HA ALA 26 HA ALA 26 1.735 -3.562 3.379 171 1HB ALA 26 1HB ALA 26 2.840 -1.034 4.514 172 2HB ALA 26 2HB ALA 26 1.160 -1.508 4.265 173 3HB ALA 26 3HB ALA 26 2.127 -0.940 2.904 174 H ALA 27 H ALA 27 2.075 -3.525 1.118 175 HA ALA 27 HA ALA 27 4.882 -3.732 0.230 176 1HB ALA 27 1HB ALA 27 2.498 -3.804 -1.580 177 2HB ALA 27 2HB ALA 27 2.685 -5.093 -0.390 178 3HB ALA 27 3HB ALA 27 3.941 -4.817 -1.597 179 H CYS 28 H CYS 28 5.859 -1.730 -0.105 180 HA CYS 28 HA CYS 28 4.224 0.434 -1.315 181 1HB CYS 28 2HB CYS 28 6.529 0.172 0.475 182 2HB CYS 28 1HB CYS 28 6.785 1.388 -0.775 183 H THR 29 H THR 29 4.257 0.458 -3.539 184 HA THR 29 HA THR 29 6.295 -0.843 -5.122 185 HB THR 29 HB THR 29 4.045 -0.571 -5.951 186 HG1 THR 29 1HG THR 29 4.939 -0.279 -7.809 187 1HG2 THR 29 1HG2 THR 29 3.630 2.103 -6.473 188 2HG2 THR 29 2HG2 THR 29 4.424 2.143 -4.899 189 3HG2 THR 29 3HG2 THR 29 2.940 1.217 -5.114 190 H LEU 30 H LEU 30 8.375 -0.007 -4.824 191 HA LEU 30 HA LEU 30 8.811 2.914 -4.750 192 1HB LEU 30 2HB LEU 30 10.822 0.649 -4.769 193 2HB LEU 30 1HB LEU 30 11.038 2.274 -4.115 194 HG LEU 30 HG LEU 30 8.734 1.205 -2.864 195 1HD1 LEU 30 1HD1 LEU 30 10.980 -0.762 -3.216 196 2HD1 LEU 30 2HD1 LEU 30 9.239 -1.043 -3.265 197 3HD1 LEU 30 3HD1 LEU 30 10.044 -0.762 -1.721 198 1HD2 LEU 30 1HD2 LEU 30 10.353 1.234 -0.859 199 2HD2 LEU 30 2HD2 LEU 30 10.130 2.754 -1.725 200 3HD2 LEU 30 3HD2 LEU 30 11.575 1.783 -2.008 201 H LYS 31 H LYS 31 9.046 4.018 -6.646 202 HA LYS 31 HA LYS 31 10.488 2.682 -8.901 203 1HB LYS 31 2HB LYS 31 7.903 2.693 -8.996 204 2HB LYS 31 1HB LYS 31 8.049 4.431 -9.255 205 1HG LYS 31 2HG LYS 31 7.917 3.112 -11.388 206 2HG LYS 31 1HG LYS 31 9.385 4.078 -11.250 207 1HD LYS 31 2HD LYS 31 9.699 1.664 -12.040 208 2HD LYS 31 1HD LYS 31 10.706 2.173 -10.685 209 1HE LYS 31 2HE LYS 31 9.671 -0.066 -10.284 210 2HE LYS 31 1HE LYS 31 9.108 1.131 -9.102 211 1HZ LYS 31 1HZ LYS 31 7.723 0.396 -11.628 212 2HZ LYS 31 2HZ LYS 31 7.200 1.580 -10.528 213 3HZ LYS 31 3HZ LYS 31 7.234 -0.056 -10.068 214 H ALA 32 H ALA 32 9.181 5.771 -7.650 215 HA ALA 32 HA ALA 32 11.638 7.197 -7.777 216 1HB ALA 32 1HB ALA 32 9.888 7.250 -10.247 217 2HB ALA 32 2HB ALA 32 11.604 6.853 -10.147 218 3HB ALA 32 3HB ALA 32 11.068 8.514 -9.905 219 H CYS 33 H CYS 33 11.340 9.417 -7.150 220 HA CYS 33 HA CYS 33 8.497 10.202 -6.604 221 1HB CYS 33 2HB CYS 33 10.898 10.812 -4.859 222 2HB CYS 33 1HB CYS 33 9.194 10.989 -4.442 223 HA PRO 34 HA PRO 34 9.580 13.885 -8.746 224 1HB PRO 34 2HB PRO 34 7.632 15.537 -7.757 225 2HB PRO 34 1HB PRO 34 7.307 14.267 -8.954 226 1HG PRO 34 2HG PRO 34 6.839 14.263 -6.015 227 2HG PRO 34 1HG PRO 34 5.850 13.584 -7.317 228 1HD PRO 34 2HD PRO 34 7.485 12.087 -5.724 229 2HD PRO 34 1HD PRO 34 7.047 11.635 -7.388 230 H GLN 35 H GLN 35 8.251 15.473 -5.915 231 HA GLN 35 HA GLN 35 10.240 17.336 -5.467 232 1HB GLN 35 2HB GLN 35 8.075 16.079 -4.015 233 2HB GLN 35 1HB GLN 35 9.408 16.438 -2.917 234 1HG GLN 35 2HG GLN 35 9.417 18.755 -4.196 235 2HG GLN 35 1HG GLN 35 7.747 18.317 -4.556 236 1HE2 GLN 35 1HE2 GLN 35 9.948 19.289 -1.992 237 2HE2 GLN 35 2HE2 GLN 35 8.771 19.425 -0.777 Start of MODEL 5 1 1H GLU 1 1HT GLU 1 6.176 -1.694 12.103 2 2H GLU 1 2HT GLU 1 4.660 -1.715 11.336 3 3H GLU 1 3HT GLU 1 4.814 -1.081 12.904 4 HA GLU 1 HA GLU 1 5.812 0.859 12.198 5 1HB GLU 1 2HB GLU 1 6.649 0.717 9.641 6 2HB GLU 1 1HB GLU 1 7.660 0.204 10.987 7 1HG GLU 1 2HG GLU 1 7.450 -2.023 10.474 8 2HG GLU 1 1HG GLU 1 5.804 -1.841 9.875 9 H VAL 2 H VAL 2 4.288 -0.888 9.445 10 HA VAL 2 HA VAL 2 2.839 1.381 8.468 11 HB VAL 2 HB VAL 2 2.387 -1.615 8.269 12 1HG1 VAL 2 1HG1 VAL 2 0.813 -1.242 6.591 13 2HG1 VAL 2 2HG1 VAL 2 1.401 0.387 6.260 14 3HG1 VAL 2 3HG1 VAL 2 0.443 0.073 7.707 15 1HG2 VAL 2 1HG2 VAL 2 4.143 -1.570 6.860 16 2HG2 VAL 2 2HG2 VAL 2 4.357 0.151 7.179 17 3HG2 VAL 2 3HG2 VAL 2 3.311 -0.379 5.861 18 H THR 3 H THR 3 0.571 1.887 8.739 19 HA THR 3 HA THR 3 -0.775 0.571 11.070 20 HB THR 3 HB THR 3 0.409 2.738 11.624 21 HG1 THR 3 1HG THR 3 -2.134 3.526 12.008 22 1HG2 THR 3 1HG2 THR 3 -1.636 4.429 10.446 23 2HG2 THR 3 2HG2 THR 3 -0.748 3.548 9.202 24 3HG2 THR 3 3HG2 THR 3 0.120 4.570 10.347 25 H CYS 4 H CYS 4 -1.693 -0.396 8.859 26 HA CYS 4 HA CYS 4 -4.153 1.182 8.211 27 1HB CYS 4 2HB CYS 4 -3.769 0.409 5.824 28 2HB CYS 4 1HB CYS 4 -2.565 1.556 6.421 29 H GLU 5 H GLU 5 -5.555 -0.472 6.708 30 HA GLU 5 HA GLU 5 -5.886 -2.906 8.382 31 1HB GLU 5 2HB GLU 5 -7.705 -1.198 7.726 32 2HB GLU 5 1HB GLU 5 -7.626 -1.916 6.115 33 1HG GLU 5 2HG GLU 5 -8.294 -4.057 6.930 34 2HG GLU 5 1HG GLU 5 -8.041 -3.576 8.608 35 HA PRO 6 HA PRO 6 -3.977 -5.411 5.303 36 1HB PRO 6 2HB PRO 6 -5.052 -7.825 6.037 37 2HB PRO 6 1HB PRO 6 -3.747 -7.029 6.937 38 1HG PRO 6 2HG PRO 6 -6.667 -7.102 7.513 39 2HG PRO 6 1HG PRO 6 -5.296 -7.222 8.626 40 1HD PRO 6 2HD PRO 6 -6.730 -4.941 8.297 41 2HD PRO 6 1HD PRO 6 -5.001 -4.943 8.720 42 H GLY 7 H GLY 7 -4.794 -5.051 3.265 43 1HA GLY 7 2HA GLY 7 -6.083 -5.986 1.411 44 2HA GLY 7 1HA GLY 7 -7.366 -6.387 2.560 45 H THR 8 H THR 8 -5.565 -3.353 2.072 46 HA THR 8 HA THR 8 -8.031 -2.020 1.099 47 HB THR 8 HB THR 8 -6.590 -0.959 3.526 48 HG1 THR 8 1HG THR 8 -8.925 -2.490 3.730 49 1HG2 THR 8 1HG2 THR 8 -9.020 -0.352 1.981 50 2HG2 THR 8 2HG2 THR 8 -8.066 0.691 3.036 51 3HG2 THR 8 3HG2 THR 8 -9.271 -0.397 3.725 52 H THR 9 H THR 9 -4.559 -1.951 1.674 53 HA THR 9 HA THR 9 -2.863 -0.522 0.891 54 HB THR 9 HB THR 9 -3.840 -1.777 -1.114 55 HG1 THR 9 1HG THR 9 -2.804 -0.173 -2.582 56 1HG2 THR 9 1HG2 THR 9 -5.279 0.856 -1.340 57 2HG2 THR 9 2HG2 THR 9 -5.912 -0.775 -1.553 58 3HG2 THR 9 3HG2 THR 9 -4.872 -0.064 -2.786 59 H PHE 10 H PHE 10 -2.575 1.753 -0.325 60 HA PHE 10 HA PHE 10 -4.604 3.757 -0.106 61 1HB PHE 10 2HB PHE 10 -3.732 4.782 2.054 62 2HB PHE 10 1HB PHE 10 -4.583 3.252 2.255 63 HD1 PHE 10 1HD PHE 10 -1.286 4.904 2.246 64 HD2 PHE 10 2HD PHE 10 -3.392 1.211 2.858 65 HE1 PHE 10 1HE PHE 10 0.740 3.919 3.285 66 HE2 PHE 10 2HE PHE 10 -1.366 0.227 3.891 67 HZ PHE 10 HZ PHE 10 0.698 1.581 4.108 68 H LYS 11 H LYS 11 -3.141 5.987 0.627 69 HA LYS 11 HA LYS 11 -0.890 5.952 -1.354 70 1HB LYS 11 2HB LYS 11 -3.194 7.613 -0.882 71 2HB LYS 11 1HB LYS 11 -1.735 8.585 -0.682 72 1HG LYS 11 2HG LYS 11 -1.105 8.346 -2.881 73 2HG LYS 11 1HG LYS 11 -1.817 6.737 -3.019 74 1HD LYS 11 2HD LYS 11 -3.278 8.035 -4.311 75 2HD LYS 11 1HD LYS 11 -4.092 7.999 -2.747 76 1HE LYS 11 2HE LYS 11 -4.081 10.305 -3.508 77 2HE LYS 11 1HE LYS 11 -2.890 10.182 -2.198 78 1HZ LYS 11 1HZ LYS 11 -1.935 9.502 -4.855 79 2HZ LYS 11 2HZ LYS 11 -1.166 10.371 -3.615 80 3HZ LYS 11 3HZ LYS 11 -2.302 11.141 -4.617 81 H ASP 12 H ASP 12 1.003 7.289 -0.795 82 HA ASP 12 HA ASP 12 1.272 8.126 2.037 83 1HB ASP 12 2HB ASP 12 1.850 5.594 1.489 84 2HB ASP 12 1HB ASP 12 3.359 6.301 0.901 85 H LYS 13 H LYS 13 2.930 7.677 -1.082 86 HA LYS 13 HA LYS 13 4.071 10.423 -0.800 87 1HB LYS 13 2HB LYS 13 5.653 7.981 -1.655 88 2HB LYS 13 1HB LYS 13 6.281 9.591 -1.291 89 1HG LYS 13 2HG LYS 13 5.078 9.131 1.044 90 2HG LYS 13 1HG LYS 13 5.350 7.453 0.574 91 1HD LYS 13 2HD LYS 13 7.720 7.813 0.363 92 2HD LYS 13 1HD LYS 13 7.528 9.556 0.550 93 1HE LYS 13 2HE LYS 13 6.626 9.159 2.863 94 2HE LYS 13 1HE LYS 13 7.017 7.439 2.667 95 1HZ LYS 13 1HZ LYS 13 9.021 8.099 3.434 96 2HZ LYS 13 2HZ LYS 13 8.801 9.717 2.964 97 3HZ LYS 13 3HZ LYS 13 9.274 8.555 1.819 98 H CYS 14 H CYS 14 5.757 9.543 -3.254 99 HA CYS 14 HA CYS 14 3.881 10.463 -5.261 100 1HB CYS 14 2HB CYS 14 5.812 10.747 -6.464 101 2HB CYS 14 1HB CYS 14 6.590 10.444 -4.914 102 H ASN 15 H ASN 15 4.399 7.440 -3.834 103 HA ASN 15 HA ASN 15 3.131 6.043 -6.172 104 1HB ASN 15 2HB ASN 15 5.403 5.368 -4.336 105 2HB ASN 15 1HB ASN 15 4.427 4.055 -4.995 106 1HD2 ASN 15 1HD2 ASN 15 3.852 4.981 -7.571 107 2HD2 ASN 15 2HD2 ASN 15 5.299 5.176 -8.452 108 H THR 16 H THR 16 2.514 3.672 -4.985 109 HA THR 16 HA THR 16 0.649 4.445 -2.766 110 HB THR 16 HB THR 16 0.465 2.685 -5.201 111 HG1 THR 16 1HG THR 16 -0.519 4.562 -5.513 112 1HG2 THR 16 1HG2 THR 16 -0.139 1.234 -3.288 113 2HG2 THR 16 2HG2 THR 16 -1.543 1.610 -4.286 114 3HG2 THR 16 3HG2 THR 16 -1.305 2.445 -2.751 115 H CYS 17 H CYS 17 0.045 2.456 -1.412 116 HA CYS 17 HA CYS 17 2.223 0.452 -1.183 117 1HB CYS 17 2HB CYS 17 2.154 2.835 0.271 118 2HB CYS 17 1HB CYS 17 1.510 1.630 1.386 119 H ARG 18 H ARG 18 0.995 -1.394 -1.268 120 HA ARG 18 HA ARG 18 -1.744 -1.573 -0.385 121 1HB ARG 18 2HB ARG 18 0.346 -3.182 -1.636 122 2HB ARG 18 1HB ARG 18 -0.646 -4.137 -0.532 123 1HG ARG 18 2HG ARG 18 -2.140 -2.272 -2.277 124 2HG ARG 18 1HG ARG 18 -1.347 -3.611 -3.107 125 1HD ARG 18 2HD ARG 18 -2.755 -4.369 -0.617 126 2HD ARG 18 1HD ARG 18 -3.803 -3.823 -1.943 127 HE ARG 18 HE ARG 18 -1.766 -5.593 -2.950 128 1HH1 ARG 18 1HH1 ARG 18 -5.003 -5.321 -2.879 129 2HH1 ARG 18 2HH1 ARG 18 -5.366 -6.985 -2.569 130 1HH2 ARG 18 1HH2 ARG 18 -2.091 -7.831 -1.801 131 2HH2 ARG 18 2HH2 ARG 18 -3.716 -8.407 -1.958 132 H CYS 19 H CYS 19 -2.550 -2.311 1.583 133 HA CYS 19 HA CYS 19 -0.708 -2.377 3.864 134 1HB CYS 19 2HB CYS 19 -3.094 -1.420 3.708 135 2HB CYS 19 1HB CYS 19 -3.648 -3.095 3.802 136 H GLY 20 H GLY 20 0.472 -4.221 4.186 137 1HA GLY 20 2HA GLY 20 0.005 -6.766 3.110 138 2HA GLY 20 1HA GLY 20 0.915 -6.491 4.599 139 H SER 21 H SER 21 -0.713 -8.758 4.268 140 HA SER 21 HA SER 21 -3.343 -8.401 5.437 141 1HB SER 21 2HB SER 21 -1.592 -10.490 4.417 142 2HB SER 21 1HB SER 21 -2.448 -11.023 5.861 143 HG SER 21 HG SER 21 -3.611 -9.828 3.557 144 H ASP 22 H ASP 22 -0.273 -8.121 6.761 145 HA ASP 22 HA ASP 22 -0.932 -9.284 9.399 146 1HB ASP 22 2HB ASP 22 1.350 -8.990 7.894 147 2HB ASP 22 1HB ASP 22 1.497 -7.643 9.026 148 H GLY 23 H GLY 23 -1.686 -6.463 7.824 149 1HA GLY 23 2HA GLY 23 -2.659 -4.497 8.693 150 2HA GLY 23 1HA GLY 23 -2.337 -5.114 10.314 151 H LYS 24 H LYS 24 0.256 -5.294 10.641 152 HA LYS 24 HA LYS 24 1.219 -2.515 10.332 153 1HB LYS 24 2HB LYS 24 2.599 -4.859 11.654 154 2HB LYS 24 1HB LYS 24 2.762 -3.145 12.036 155 1HG LYS 24 2HG LYS 24 0.365 -4.924 12.537 156 2HG LYS 24 1HG LYS 24 1.356 -4.092 13.736 157 1HD LYS 24 2HD LYS 24 0.502 -2.063 12.010 158 2HD LYS 24 1HD LYS 24 -0.915 -3.092 12.218 159 1HE LYS 24 2HE LYS 24 -0.329 -3.013 14.759 160 2HE LYS 24 1HE LYS 24 0.645 -1.595 14.322 161 1HZ LYS 24 1HZ LYS 24 -2.249 -2.024 13.833 162 2HZ LYS 24 2HZ LYS 24 -1.356 -0.796 13.070 163 3HZ LYS 24 3HZ LYS 24 -1.527 -0.800 14.760 164 H SER 25 H SER 25 1.177 -3.567 7.818 165 HA SER 25 HA SER 25 4.005 -3.586 7.074 166 1HB SER 25 2HB SER 25 2.284 -6.064 6.723 167 2HB SER 25 1HB SER 25 3.926 -5.867 6.107 168 HG SER 25 HG SER 25 4.665 -5.732 8.207 169 H ALA 26 H ALA 26 4.240 -3.225 4.782 170 HA ALA 26 HA ALA 26 1.907 -3.391 3.019 171 1HB ALA 26 1HB ALA 26 2.069 -1.190 4.635 172 2HB ALA 26 2HB ALA 26 1.272 -1.196 3.062 173 3HB ALA 26 3HB ALA 26 2.934 -0.624 3.207 174 H ALA 27 H ALA 27 2.488 -3.084 0.816 175 HA ALA 27 HA ALA 27 5.440 -2.964 0.304 176 1HB ALA 27 1HB ALA 27 4.282 -3.929 -1.965 177 2HB ALA 27 2HB ALA 27 3.112 -4.460 -0.757 178 3HB ALA 27 3HB ALA 27 4.800 -4.957 -0.630 179 H CYS 28 H CYS 28 6.136 -1.132 -0.764 180 HA CYS 28 HA CYS 28 4.064 0.631 -1.950 181 1HB CYS 28 2HB CYS 28 6.734 0.885 -0.703 182 2HB CYS 28 1HB CYS 28 6.453 1.976 -2.060 183 H THR 29 H THR 29 3.911 0.901 -4.163 184 HA THR 29 HA THR 29 4.975 -0.777 -6.090 185 HB THR 29 HB THR 29 4.399 0.961 -7.667 186 HG1 THR 29 1HG THR 29 4.051 3.125 -6.731 187 1HG2 THR 29 1HG2 THR 29 2.528 1.943 -5.662 188 2HG2 THR 29 2HG2 THR 29 2.712 0.191 -5.586 189 3HG2 THR 29 3HG2 THR 29 2.221 0.961 -7.094 190 H LEU 30 H LEU 30 6.590 1.865 -4.449 191 HA LEU 30 HA LEU 30 8.796 2.696 -4.617 192 1HB LEU 30 2HB LEU 30 8.791 -0.275 -4.911 193 2HB LEU 30 1HB LEU 30 10.318 0.560 -5.206 194 HG LEU 30 HG LEU 30 8.743 1.307 -2.773 195 1HD1 LEU 30 1HD1 LEU 30 9.589 -1.376 -3.332 196 2HD1 LEU 30 2HD1 LEU 30 8.862 -0.744 -1.856 197 3HD1 LEU 30 3HD1 LEU 30 10.614 -0.719 -2.056 198 1HD2 LEU 30 1HD2 LEU 30 11.074 2.191 -3.777 199 2HD2 LEU 30 2HD2 LEU 30 11.687 0.831 -2.838 200 3HD2 LEU 30 3HD2 LEU 30 10.775 2.114 -2.041 201 H LYS 31 H LYS 31 7.980 3.848 -6.683 202 HA LYS 31 HA LYS 31 9.134 2.680 -9.174 203 1HB LYS 31 2HB LYS 31 6.736 3.846 -8.630 204 2HB LYS 31 1HB LYS 31 7.649 5.250 -9.185 205 1HG LYS 31 2HG LYS 31 7.043 4.530 -11.259 206 2HG LYS 31 1HG LYS 31 8.378 3.395 -11.050 207 1HD LYS 31 2HD LYS 31 5.454 2.885 -10.438 208 2HD LYS 31 1HD LYS 31 6.409 2.144 -11.723 209 1HE LYS 31 2HE LYS 31 7.888 1.108 -10.008 210 2HE LYS 31 1HE LYS 31 6.862 1.803 -8.736 211 1HZ LYS 31 1HZ LYS 31 6.182 -0.469 -9.347 212 2HZ LYS 31 2HZ LYS 31 5.887 0.057 -10.934 213 3HZ LYS 31 3HZ LYS 31 4.962 0.670 -9.648 214 H ALA 32 H ALA 32 9.233 5.644 -7.176 215 HA ALA 32 HA ALA 32 12.014 6.131 -7.688 216 1HB ALA 32 1HB ALA 32 11.825 6.931 -9.796 217 2HB ALA 32 2HB ALA 32 11.000 8.323 -9.098 218 3HB ALA 32 3HB ALA 32 10.065 6.951 -9.692 219 H CYS 33 H CYS 33 9.274 8.410 -7.705 220 HA CYS 33 HA CYS 33 8.690 10.118 -6.177 221 1HB CYS 33 2HB CYS 33 10.057 8.144 -4.314 222 2HB CYS 33 1HB CYS 33 9.021 9.476 -3.793 223 HA PRO 34 HA PRO 34 12.303 12.610 -5.915 224 1HB PRO 34 2HB PRO 34 11.341 14.619 -4.329 225 2HB PRO 34 1HB PRO 34 10.874 14.425 -6.030 226 1HG PRO 34 2HG PRO 34 9.386 13.695 -3.565 227 2HG PRO 34 1HG PRO 34 8.784 14.327 -5.104 228 1HD PRO 34 2HD PRO 34 8.639 11.690 -4.351 229 2HD PRO 34 1HD PRO 34 8.627 12.255 -6.037 230 H GLN 35 H GLN 35 12.606 10.439 -4.238 231 HA GLN 35 HA GLN 35 13.556 9.729 -2.186 232 1HB GLN 35 2HB GLN 35 14.657 12.553 -2.369 233 2HB GLN 35 1HB GLN 35 15.403 11.190 -1.535 234 1HG GLN 35 2HG GLN 35 16.039 10.150 -3.507 235 2HG GLN 35 1HG GLN 35 14.738 10.890 -4.439 236 1HE2 GLN 35 1HE2 GLN 35 17.991 10.945 -4.309 237 2HE2 GLN 35 2HE2 GLN 35 18.295 12.570 -4.695 Start of MODEL 6 1 1H GLU 1 1HT GLU 1 3.655 0.690 13.279 2 2H GLU 1 2HT GLU 1 4.974 -0.046 12.500 3 3H GLU 1 3HT GLU 1 3.394 -0.607 12.219 4 HA GLU 1 HA GLU 1 3.604 2.180 11.630 5 1HB GLU 1 2HB GLU 1 5.481 0.181 10.329 6 2HB GLU 1 1HB GLU 1 5.131 1.773 9.653 7 1HG GLU 1 2HG GLU 1 6.174 2.900 11.431 8 2HG GLU 1 1HG GLU 1 6.064 1.504 12.503 9 H VAL 2 H VAL 2 3.245 2.055 8.934 10 HA VAL 2 HA VAL 2 1.575 1.561 7.333 11 HB VAL 2 HB VAL 2 2.029 -1.167 8.580 12 1HG1 VAL 2 1HG1 VAL 2 0.253 -1.576 7.167 13 2HG1 VAL 2 2HG1 VAL 2 1.562 -1.659 5.987 14 3HG1 VAL 2 3HG1 VAL 2 0.611 -0.182 6.146 15 1HG2 VAL 2 1HG2 VAL 2 3.830 -1.412 7.035 16 2HG2 VAL 2 2HG2 VAL 2 4.053 0.173 7.775 17 3HG2 VAL 2 3HG2 VAL 2 3.365 0.046 6.156 18 H THR 3 H THR 3 0.700 2.336 10.054 19 HA THR 3 HA THR 3 -1.410 0.860 11.152 20 HB THR 3 HB THR 3 -1.222 3.851 10.654 21 HG1 THR 3 1HG THR 3 0.256 3.803 12.122 22 1HG2 THR 3 1HG2 THR 3 -2.775 4.139 12.418 23 2HG2 THR 3 2HG2 THR 3 -2.624 2.460 12.934 24 3HG2 THR 3 3HG2 THR 3 -3.461 2.848 11.431 25 H CYS 4 H CYS 4 -2.523 -0.262 9.414 26 HA CYS 4 HA CYS 4 -4.748 1.246 8.255 27 1HB CYS 4 2HB CYS 4 -3.396 1.918 6.523 28 2HB CYS 4 1HB CYS 4 -2.225 0.634 6.814 29 H GLU 5 H GLU 5 -6.094 -0.301 6.837 30 HA GLU 5 HA GLU 5 -6.242 -2.929 8.171 31 1HB GLU 5 2HB GLU 5 -7.941 -1.689 5.982 32 2HB GLU 5 1HB GLU 5 -8.398 -3.023 7.043 33 1HG GLU 5 2HG GLU 5 -8.203 -1.517 9.001 34 2HG GLU 5 1HG GLU 5 -7.796 -0.183 7.922 35 HA PRO 6 HA PRO 6 -3.965 -4.930 4.953 36 1HB PRO 6 2HB PRO 6 -4.744 -7.501 5.512 37 2HB PRO 6 1HB PRO 6 -3.541 -6.617 6.473 38 1HG PRO 6 2HG PRO 6 -6.442 -7.053 7.015 39 2HG PRO 6 1HG PRO 6 -5.063 -7.123 8.127 40 1HD PRO 6 2HD PRO 6 -6.704 -4.982 7.999 41 2HD PRO 6 1HD PRO 6 -4.970 -4.831 8.370 42 H GLY 7 H GLY 7 -4.566 -5.031 2.837 43 1HA GLY 7 2HA GLY 7 -5.808 -6.001 1.003 44 2HA GLY 7 1HA GLY 7 -7.133 -6.343 2.121 45 H THR 8 H THR 8 -5.483 -3.227 1.957 46 HA THR 8 HA THR 8 -7.764 -2.048 0.454 47 HB THR 8 HB THR 8 -6.956 -1.217 3.256 48 HG1 THR 8 1HG THR 8 -8.341 -2.646 3.863 49 1HG2 THR 8 1HG2 THR 8 -8.186 0.636 2.917 50 2HG2 THR 8 2HG2 THR 8 -9.538 -0.319 2.311 51 3HG2 THR 8 3HG2 THR 8 -8.265 0.204 1.209 52 H THR 9 H THR 9 -4.442 -2.053 1.158 53 HA THR 9 HA THR 9 -2.693 -0.507 0.784 54 HB THR 9 HB THR 9 -3.453 -1.355 -1.433 55 HG1 THR 9 1HG THR 9 -2.579 0.459 -2.609 56 1HG2 THR 9 1HG2 THR 9 -5.190 1.114 -1.300 57 2HG2 THR 9 2HG2 THR 9 -5.695 -0.553 -1.574 58 3HG2 THR 9 3HG2 THR 9 -4.796 0.310 -2.820 59 H PHE 10 H PHE 10 -2.471 1.958 -0.250 60 HA PHE 10 HA PHE 10 -4.409 3.936 0.328 61 1HB PHE 10 2HB PHE 10 -3.453 4.648 2.603 62 2HB PHE 10 1HB PHE 10 -4.430 3.183 2.602 63 HD1 PHE 10 1HD PHE 10 -0.966 4.503 2.675 64 HD2 PHE 10 2HD PHE 10 -3.462 1.032 3.088 65 HE1 PHE 10 1HE PHE 10 0.951 3.234 3.604 66 HE2 PHE 10 2HE PHE 10 -1.544 -0.237 4.016 67 HZ PHE 10 HZ PHE 10 0.662 0.865 4.273 68 H LYS 11 H LYS 11 -3.180 6.139 0.920 69 HA LYS 11 HA LYS 11 -0.957 6.367 -0.996 70 1HB LYS 11 2HB LYS 11 -2.406 8.356 0.782 71 2HB LYS 11 1HB LYS 11 -1.294 8.779 -0.518 72 1HG LYS 11 2HG LYS 11 -3.811 7.142 -0.916 73 2HG LYS 11 1HG LYS 11 -3.710 8.880 -1.198 74 1HD LYS 11 2HD LYS 11 -1.562 7.342 -2.493 75 2HD LYS 11 1HD LYS 11 -3.177 6.955 -3.089 76 1HE LYS 11 2HE LYS 11 -2.402 9.842 -2.746 77 2HE LYS 11 1HE LYS 11 -1.865 8.953 -4.186 78 1HZ LYS 11 1HZ LYS 11 -4.608 8.460 -3.429 79 2HZ LYS 11 2HZ LYS 11 -3.946 8.777 -4.961 80 3HZ LYS 11 3HZ LYS 11 -4.309 10.059 -3.908 81 H ASP 12 H ASP 12 1.193 6.809 -0.426 82 HA ASP 12 HA ASP 12 1.824 7.192 2.465 83 1HB ASP 12 2HB ASP 12 1.908 4.775 1.823 84 2HB ASP 12 1HB ASP 12 3.131 5.178 0.613 85 H LYS 13 H LYS 13 3.269 6.975 -0.800 86 HA LYS 13 HA LYS 13 4.833 9.448 -0.160 87 1HB LYS 13 2HB LYS 13 5.913 7.020 -1.619 88 2HB LYS 13 1HB LYS 13 6.828 8.401 -1.003 89 1HG LYS 13 2HG LYS 13 5.731 7.661 1.302 90 2HG LYS 13 1HG LYS 13 5.639 6.097 0.491 91 1HD LYS 13 2HD LYS 13 8.218 7.592 0.309 92 2HD LYS 13 1HD LYS 13 7.817 6.840 1.854 93 1HE LYS 13 2HE LYS 13 7.567 4.659 0.795 94 2HE LYS 13 1HE LYS 13 7.802 5.378 -0.810 95 1HZ LYS 13 1HZ LYS 13 9.920 4.651 -0.201 96 2HZ LYS 13 2HZ LYS 13 9.745 5.162 1.410 97 3HZ LYS 13 3HZ LYS 13 9.947 6.305 0.170 98 H CYS 14 H CYS 14 6.213 8.969 -2.820 99 HA CYS 14 HA CYS 14 4.460 10.549 -4.462 100 1HB CYS 14 2HB CYS 14 6.275 10.458 -5.989 101 2HB CYS 14 1HB CYS 14 7.034 10.301 -4.403 102 H ASN 15 H ASN 15 4.354 7.233 -3.763 103 HA ASN 15 HA ASN 15 2.821 6.727 -6.293 104 1HB ASN 15 2HB ASN 15 5.095 5.357 -5.016 105 2HB ASN 15 1HB ASN 15 3.784 4.276 -5.488 106 1HD2 ASN 15 1HD2 ASN 15 4.904 7.305 -7.081 107 2HD2 ASN 15 2HD2 ASN 15 5.257 6.562 -8.575 108 H THR 16 H THR 16 3.267 4.410 -3.703 109 HA THR 16 HA THR 16 0.897 4.986 -2.180 110 HB THR 16 HB THR 16 0.702 3.440 -4.732 111 HG1 THR 16 1HG THR 16 -0.362 5.302 -4.769 112 1HG2 THR 16 1HG2 THR 16 -1.180 2.116 -3.965 113 2HG2 THR 16 2HG2 THR 16 -1.067 2.819 -2.352 114 3HG2 THR 16 3HG2 THR 16 0.210 1.756 -2.942 115 H CYS 17 H CYS 17 0.194 2.857 -0.977 116 HA CYS 17 HA CYS 17 2.428 0.907 -0.746 117 1HB CYS 17 2HB CYS 17 2.262 3.141 0.844 118 2HB CYS 17 1HB CYS 17 1.399 1.944 1.813 119 H ARG 18 H ARG 18 1.247 -0.937 -1.161 120 HA ARG 18 HA ARG 18 -1.515 -1.353 -0.514 121 1HB ARG 18 2HB ARG 18 -0.424 -2.656 -2.209 122 2HB ARG 18 1HB ARG 18 0.848 -3.159 -1.094 123 1HG ARG 18 2HG ARG 18 -0.662 -5.015 -1.288 124 2HG ARG 18 1HG ARG 18 -0.964 -4.282 0.289 125 1HD ARG 18 2HD ARG 18 -2.984 -3.281 -0.427 126 2HD ARG 18 1HD ARG 18 -2.561 -3.451 -2.142 127 HE ARG 18 HE ARG 18 -3.800 -5.499 -0.537 128 1HH1 ARG 18 1HH1 ARG 18 -1.265 -6.890 -0.948 129 2HH1 ARG 18 2HH1 ARG 18 -1.445 -7.605 -2.516 130 1HH2 ARG 18 1HH2 ARG 18 -4.101 -5.576 -3.433 131 2HH2 ARG 18 2HH2 ARG 18 -3.048 -6.862 -3.921 132 H CYS 19 H CYS 19 -2.469 -2.288 1.284 133 HA CYS 19 HA CYS 19 -0.927 -2.254 3.773 134 1HB CYS 19 2HB CYS 19 -3.470 -1.674 3.042 135 2HB CYS 19 1HB CYS 19 -3.695 -3.323 3.632 136 H GLY 20 H GLY 20 0.362 -4.012 4.185 137 1HA GLY 20 2HA GLY 20 0.346 -6.529 3.049 138 2HA GLY 20 1HA GLY 20 0.846 -6.258 4.722 139 H SER 21 H SER 21 -0.366 -8.651 4.101 140 HA SER 21 HA SER 21 -3.253 -8.483 4.670 141 1HB SER 21 2HB SER 21 -1.350 -10.324 3.549 142 2HB SER 21 1HB SER 21 -2.218 -11.131 4.852 143 HG SER 21 HG SER 21 -4.084 -10.847 3.802 144 H ASP 22 H ASP 22 -0.360 -8.612 6.502 145 HA ASP 22 HA ASP 22 -1.726 -9.883 8.834 146 1HB ASP 22 2HB ASP 22 0.467 -10.745 8.125 147 2HB ASP 22 1HB ASP 22 1.164 -9.127 8.279 148 H GLY 23 H GLY 23 -1.478 -6.858 7.584 149 1HA GLY 23 2HA GLY 23 -1.822 -4.740 8.541 150 2HA GLY 23 1HA GLY 23 -2.125 -5.563 10.076 151 H LYS 24 H LYS 24 -0.614 -3.149 9.853 152 HA LYS 24 HA LYS 24 1.396 -2.252 10.714 153 1HB LYS 24 2HB LYS 24 2.029 -5.101 11.510 154 2HB LYS 24 1HB LYS 24 2.474 -3.613 12.345 155 1HG LYS 24 2HG LYS 24 -0.285 -4.841 12.112 156 2HG LYS 24 1HG LYS 24 0.653 -4.574 13.582 157 1HD LYS 24 2HD LYS 24 -0.204 -2.300 11.782 158 2HD LYS 24 1HD LYS 24 -1.203 -2.877 13.114 159 1HE LYS 24 2HE LYS 24 1.660 -1.887 13.384 160 2HE LYS 24 1HE LYS 24 0.206 -0.986 13.860 161 1HZ LYS 24 1HZ LYS 24 1.411 -3.342 15.089 162 2HZ LYS 24 2HZ LYS 24 -0.287 -3.305 15.030 163 3HZ LYS 24 3HZ LYS 24 0.567 -2.059 15.808 164 H SER 25 H SER 25 1.192 -3.822 7.999 165 HA SER 25 HA SER 25 4.060 -3.527 7.346 166 1HB SER 25 2HB SER 25 2.535 -6.147 7.195 167 2HB SER 25 1HB SER 25 4.124 -5.883 6.473 168 HG SER 25 HG SER 25 4.189 -6.805 8.605 169 H ALA 26 H ALA 26 4.174 -2.671 5.299 170 HA ALA 26 HA ALA 26 1.806 -3.050 3.491 171 1HB ALA 26 1HB ALA 26 3.671 -0.715 3.988 172 2HB ALA 26 2HB ALA 26 1.934 -0.783 4.290 173 3HB ALA 26 3HB ALA 26 2.543 -0.765 2.633 174 H ALA 27 H ALA 27 2.727 -2.229 1.130 175 HA ALA 27 HA ALA 27 5.158 -3.908 0.599 176 1HB ALA 27 1HB ALA 27 4.076 -4.527 -1.461 177 2HB ALA 27 2HB ALA 27 2.845 -3.283 -1.251 178 3HB ALA 27 3HB ALA 27 2.867 -4.689 -0.188 179 H CYS 28 H CYS 28 3.254 -1.202 -0.721 180 HA CYS 28 HA CYS 28 3.948 0.799 -1.752 181 1HB CYS 28 2HB CYS 28 6.056 -0.030 0.123 182 2HB CYS 28 1HB CYS 28 6.639 1.022 -1.168 183 H THR 29 H THR 29 3.999 0.622 -3.957 184 HA THR 29 HA THR 29 5.461 -1.331 -5.437 185 HB THR 29 HB THR 29 3.451 0.186 -6.044 186 HG1 THR 29 1HG THR 29 3.892 -0.158 -8.140 187 1HG2 THR 29 1HG2 THR 29 5.633 2.023 -7.033 188 2HG2 THR 29 2HG2 THR 29 4.827 2.281 -5.485 189 3HG2 THR 29 3HG2 THR 29 3.896 2.320 -6.982 190 H LEU 30 H LEU 30 6.428 1.724 -4.071 191 HA LEU 30 HA LEU 30 8.443 2.961 -4.248 192 1HB LEU 30 2HB LEU 30 9.172 0.030 -4.342 193 2HB LEU 30 1HB LEU 30 10.410 1.284 -4.262 194 HG LEU 30 HG LEU 30 8.161 0.863 -2.271 195 1HD1 LEU 30 1HD1 LEU 30 10.217 0.537 -0.748 196 2HD1 LEU 30 2HD1 LEU 30 11.138 0.348 -2.240 197 3HD1 LEU 30 3HD1 LEU 30 9.832 -0.774 -1.862 198 1HD2 LEU 30 1HD2 LEU 30 8.460 3.043 -1.768 199 2HD2 LEU 30 2HD2 LEU 30 9.794 3.176 -2.913 200 3HD2 LEU 30 3HD2 LEU 30 10.101 2.635 -1.263 201 H LYS 31 H LYS 31 7.603 3.666 -6.507 202 HA LYS 31 HA LYS 31 9.347 2.536 -8.668 203 1HB LYS 31 2HB LYS 31 6.592 2.892 -8.486 204 2HB LYS 31 1HB LYS 31 7.119 4.269 -9.453 205 1HG LYS 31 2HG LYS 31 6.633 2.383 -10.927 206 2HG LYS 31 1HG LYS 31 8.366 2.708 -10.942 207 1HD LYS 31 2HD LYS 31 8.131 0.333 -10.724 208 2HD LYS 31 1HD LYS 31 8.592 0.928 -9.131 209 1HE LYS 31 2HE LYS 31 6.644 0.217 -8.212 210 2HE LYS 31 1HE LYS 31 5.686 0.936 -9.522 211 1HZ LYS 31 1HZ LYS 31 6.175 -0.889 -10.936 212 2HZ LYS 31 2HZ LYS 31 5.657 -1.553 -9.460 213 3HZ LYS 31 3HZ LYS 31 7.310 -1.525 -9.850 214 H ALA 32 H ALA 32 10.638 4.289 -7.019 215 HA ALA 32 HA ALA 32 11.952 6.248 -7.147 216 1HB ALA 32 1HB ALA 32 12.593 6.367 -9.306 217 2HB ALA 32 2HB ALA 32 11.122 7.269 -9.673 218 3HB ALA 32 3HB ALA 32 11.132 5.509 -9.798 219 H CYS 33 H CYS 33 11.681 8.512 -6.795 220 HA CYS 33 HA CYS 33 8.901 9.595 -7.002 221 1HB CYS 33 2HB CYS 33 10.717 9.535 -4.567 222 2HB CYS 33 1HB CYS 33 9.209 10.450 -4.656 223 HA PRO 34 HA PRO 34 10.958 13.268 -8.267 224 1HB PRO 34 2HB PRO 34 9.370 15.220 -7.186 225 2HB PRO 34 1HB PRO 34 8.876 14.228 -8.574 226 1HG PRO 34 2HG PRO 34 8.123 13.976 -5.707 227 2HG PRO 34 1HG PRO 34 7.138 13.738 -7.158 228 1HD PRO 34 2HD PRO 34 8.190 11.688 -5.697 229 2HD PRO 34 1HD PRO 34 7.835 11.577 -7.436 230 H GLN 35 H GLN 35 9.772 14.836 -5.371 231 HA GLN 35 HA GLN 35 10.909 15.691 -3.482 232 1HB GLN 35 2HB GLN 35 11.551 13.061 -3.746 233 2HB GLN 35 1HB GLN 35 13.155 13.787 -3.863 234 1HG GLN 35 2HG GLN 35 13.081 14.635 -1.710 235 2HG GLN 35 1HG GLN 35 11.321 14.739 -1.699 236 1HE2 GLN 35 1HE2 GLN 35 11.269 13.520 0.358 237 2HE2 GLN 35 2HE2 GLN 35 11.533 11.844 0.370 Start of MODEL 7 1 1H GLU 1 1HT GLU 1 6.896 1.022 6.323 2 2H GLU 1 2HT GLU 1 8.363 1.085 7.179 3 3H GLU 1 3HT GLU 1 7.642 2.516 6.613 4 HA GLU 1 HA GLU 1 6.819 0.806 8.880 5 1HB GLU 1 2HB GLU 1 7.249 3.772 8.385 6 2HB GLU 1 1HB GLU 1 6.848 3.051 9.945 7 1HG GLU 1 2HG GLU 1 8.973 1.533 9.351 8 2HG GLU 1 1HG GLU 1 9.411 2.966 8.420 9 H VAL 2 H VAL 2 4.655 0.343 8.992 10 HA VAL 2 HA VAL 2 2.667 2.389 8.246 11 HB VAL 2 HB VAL 2 3.017 1.438 6.096 12 1HG1 VAL 2 1HG1 VAL 2 4.369 -0.498 6.999 13 2HG1 VAL 2 2HG1 VAL 2 3.287 -0.920 5.675 14 3HG1 VAL 2 3HG1 VAL 2 2.846 -1.321 7.334 15 1HG2 VAL 2 1HG2 VAL 2 0.804 -0.318 7.163 16 2HG2 VAL 2 2HG2 VAL 2 0.915 0.471 5.589 17 3HG2 VAL 2 3HG2 VAL 2 0.604 1.430 7.038 18 H THR 3 H THR 3 0.494 1.765 8.972 19 HA THR 3 HA THR 3 0.252 -0.702 10.599 20 HB THR 3 HB THR 3 -0.026 2.115 11.700 21 HG1 THR 3 1HG THR 3 1.920 0.096 11.895 22 1HG2 THR 3 1HG2 THR 3 0.020 0.292 13.798 23 2HG2 THR 3 2HG2 THR 3 -1.005 -0.487 12.593 24 3HG2 THR 3 3HG2 THR 3 -1.408 1.125 13.186 25 H CYS 4 H CYS 4 -1.082 0.026 8.205 26 HA CYS 4 HA CYS 4 -3.738 1.067 9.006 27 1HB CYS 4 2HB CYS 4 -3.580 1.915 6.917 28 2HB CYS 4 1HB CYS 4 -2.027 1.111 6.725 29 H GLU 5 H GLU 5 -5.565 -0.267 7.651 30 HA GLU 5 HA GLU 5 -5.674 -2.900 8.912 31 1HB GLU 5 2HB GLU 5 -7.434 -1.297 7.039 32 2HB GLU 5 1HB GLU 5 -7.890 -2.897 7.626 33 1HG GLU 5 2HG GLU 5 -8.182 -2.168 9.801 34 2HG GLU 5 1HG GLU 5 -7.010 -0.860 9.632 35 HA PRO 6 HA PRO 6 -3.987 -5.115 5.492 36 1HB PRO 6 2HB PRO 6 -4.975 -7.597 6.085 37 2HB PRO 6 1HB PRO 6 -3.630 -6.855 6.974 38 1HG PRO 6 2HG PRO 6 -6.498 -7.080 7.725 39 2HG PRO 6 1HG PRO 6 -5.052 -7.199 8.738 40 1HD PRO 6 2HD PRO 6 -6.642 -4.973 8.599 41 2HD PRO 6 1HD PRO 6 -4.918 -4.938 9.035 42 H GLY 7 H GLY 7 -4.932 -4.671 3.522 43 1HA GLY 7 2HA GLY 7 -6.369 -5.605 1.747 44 2HA GLY 7 1HA GLY 7 -7.598 -5.907 2.981 45 H THR 8 H THR 8 -5.693 -2.942 2.665 46 HA THR 8 HA THR 8 -8.172 -1.506 1.788 47 HB THR 8 HB THR 8 -6.329 -1.012 4.129 48 HG1 THR 8 1HG THR 8 -8.614 -0.643 4.953 49 1HG2 THR 8 1HG2 THR 8 -6.421 1.148 3.165 50 2HG2 THR 8 2HG2 THR 8 -7.713 1.151 4.366 51 3HG2 THR 8 3HG2 THR 8 -8.097 0.941 2.658 52 H THR 9 H THR 9 -4.647 -1.569 1.996 53 HA THR 9 HA THR 9 -2.987 -0.337 0.862 54 HB THR 9 HB THR 9 -4.151 -1.886 -0.811 55 HG1 THR 9 1HG THR 9 -3.221 -0.506 -2.611 56 1HG2 THR 9 1HG2 THR 9 -5.275 -0.473 -2.677 57 2HG2 THR 9 2HG2 THR 9 -5.526 0.726 -1.411 58 3HG2 THR 9 3HG2 THR 9 -6.227 -0.884 -1.253 59 H PHE 10 H PHE 10 -2.720 1.675 -0.713 60 HA PHE 10 HA PHE 10 -4.639 3.764 -0.810 61 1HB PHE 10 2HB PHE 10 -3.652 5.093 1.177 62 2HB PHE 10 1HB PHE 10 -4.722 3.750 1.570 63 HD1 PHE 10 1HD PHE 10 -1.151 4.760 1.283 64 HD2 PHE 10 2HD PHE 10 -3.934 1.841 2.764 65 HE1 PHE 10 1HE PHE 10 0.665 3.691 2.591 66 HE2 PHE 10 2HE PHE 10 -2.117 0.774 4.070 67 HZ PHE 10 HZ PHE 10 0.182 1.698 3.985 68 H LYS 11 H LYS 11 -3.032 6.013 -0.327 69 HA LYS 11 HA LYS 11 -0.761 5.557 -2.235 70 1HB LYS 11 2HB LYS 11 -3.017 7.138 -2.457 71 2HB LYS 11 1HB LYS 11 -1.806 8.286 -1.883 72 1HG LYS 11 2HG LYS 11 -0.790 8.317 -3.892 73 2HG LYS 11 1HG LYS 11 -0.684 6.557 -3.919 74 1HD LYS 11 2HD LYS 11 -2.319 6.477 -5.458 75 2HD LYS 11 1HD LYS 11 -3.418 7.278 -4.333 76 1HE LYS 11 2HE LYS 11 -1.396 8.853 -5.946 77 2HE LYS 11 1HE LYS 11 -3.014 8.484 -6.575 78 1HZ LYS 11 1HZ LYS 11 -2.559 10.589 -5.053 79 2HZ LYS 11 2HZ LYS 11 -2.832 9.448 -3.824 80 3HZ LYS 11 3HZ LYS 11 -4.026 9.739 -4.997 81 H ASP 12 H ASP 12 1.256 6.006 -1.417 82 HA ASP 12 HA ASP 12 1.507 7.934 0.838 83 1HB ASP 12 2HB ASP 12 1.307 5.491 1.564 84 2HB ASP 12 1HB ASP 12 2.842 5.214 0.733 85 H LYS 13 H LYS 13 3.201 9.312 0.417 86 HA LYS 13 HA LYS 13 5.221 10.118 -0.507 87 1HB LYS 13 2HB LYS 13 5.876 7.367 -1.480 88 2HB LYS 13 1HB LYS 13 6.928 8.561 -0.713 89 1HG LYS 13 2HG LYS 13 5.121 8.084 1.280 90 2HG LYS 13 1HG LYS 13 5.200 6.518 0.501 91 1HD LYS 13 2HD LYS 13 7.756 7.961 1.097 92 2HD LYS 13 1HD LYS 13 6.928 7.108 2.400 93 1HE LYS 13 2HE LYS 13 7.169 5.006 1.346 94 2HE LYS 13 1HE LYS 13 7.471 5.739 -0.242 95 1HZ LYS 13 1HZ LYS 13 9.467 6.808 0.804 96 2HZ LYS 13 2HZ LYS 13 9.574 5.124 0.613 97 3HZ LYS 13 3HZ LYS 13 9.239 5.788 2.140 98 H CYS 14 H CYS 14 6.405 8.672 -2.910 99 HA CYS 14 HA CYS 14 4.608 9.876 -4.945 100 1HB CYS 14 2HB CYS 14 7.424 8.739 -4.955 101 2HB CYS 14 1HB CYS 14 6.633 9.387 -6.395 102 H ASN 15 H ASN 15 4.128 7.243 -3.456 103 HA ASN 15 HA ASN 15 3.447 5.639 -5.856 104 1HB ASN 15 2HB ASN 15 5.450 4.935 -3.722 105 2HB ASN 15 1HB ASN 15 4.595 3.667 -4.593 106 1HD2 ASN 15 1HD2 ASN 15 4.482 4.554 -7.185 107 2HD2 ASN 15 2HD2 ASN 15 6.046 4.843 -7.803 108 H THR 16 H THR 16 2.456 3.449 -4.913 109 HA THR 16 HA THR 16 0.487 4.251 -2.806 110 HB THR 16 HB THR 16 0.502 2.604 -5.293 111 HG1 THR 16 1HG THR 16 -1.071 4.477 -3.975 112 1HG2 THR 16 1HG2 THR 16 -1.478 1.302 -4.546 113 2HG2 THR 16 2HG2 THR 16 -1.247 1.921 -2.912 114 3HG2 THR 16 3HG2 THR 16 -0.025 0.879 -3.639 115 H CYS 17 H CYS 17 -0.221 2.336 -1.403 116 HA CYS 17 HA CYS 17 1.973 0.366 -0.956 117 1HB CYS 17 2HB CYS 17 1.678 2.736 0.450 118 2HB CYS 17 1HB CYS 17 0.871 1.556 1.484 119 H ARG 18 H ARG 18 0.853 -1.545 -1.168 120 HA ARG 18 HA ARG 18 -1.972 -1.793 -0.427 121 1HB ARG 18 2HB ARG 18 -1.191 -3.011 -2.326 122 2HB ARG 18 1HB ARG 18 0.207 -3.628 -1.445 123 1HG ARG 18 2HG ARG 18 -1.464 -5.395 -1.637 124 2HG ARG 18 1HG ARG 18 -1.341 -4.893 0.050 125 1HD ARG 18 2HD ARG 18 -3.404 -3.774 0.004 126 2HD ARG 18 1HD ARG 18 -3.377 -3.600 -1.762 127 HE ARG 18 HE ARG 18 -3.352 -6.328 -1.429 128 1HH1 ARG 18 1HH2 ARG 18 -5.512 -3.736 -1.098 129 2HH1 ARG 18 2HH2 ARG 18 -6.836 -4.702 -0.535 130 1HH2 ARG 18 1HH1 ARG 18 -4.961 -7.608 -0.295 131 2HH2 ARG 18 2HH1 ARG 18 -6.523 -6.892 -0.081 132 H CYS 19 H CYS 19 -2.477 -1.895 1.698 133 HA CYS 19 HA CYS 19 -0.786 -2.539 3.862 134 1HB CYS 19 2HB CYS 19 -3.402 -1.745 3.374 135 2HB CYS 19 1HB CYS 19 -3.600 -3.313 4.156 136 H GLY 20 H GLY 20 0.250 -4.478 4.180 137 1HA GLY 20 2HA GLY 20 -0.200 -6.897 2.871 138 2HA GLY 20 1HA GLY 20 0.512 -6.798 4.485 139 H SER 21 H SER 21 -0.917 -8.994 4.196 140 HA SER 21 HA SER 21 -3.756 -8.556 4.885 141 1HB SER 21 2HB SER 21 -2.701 -10.363 3.363 142 2HB SER 21 1HB SER 21 -2.207 -11.149 4.859 143 HG SER 21 HG SER 21 -4.230 -11.642 5.273 144 H ASP 22 H ASP 22 -0.768 -8.880 6.541 145 HA ASP 22 HA ASP 22 -2.042 -9.944 9.010 146 1HB ASP 22 2HB ASP 22 0.617 -9.816 7.778 147 2HB ASP 22 1HB ASP 22 0.641 -9.421 9.501 148 H GLY 23 H GLY 23 -1.494 -6.964 7.551 149 1HA GLY 23 2HA GLY 23 -1.896 -4.804 8.423 150 2HA GLY 23 1HA GLY 23 -2.115 -5.533 10.018 151 H LYS 24 H LYS 24 -0.710 -3.267 10.074 152 HA LYS 24 HA LYS 24 1.377 -2.325 10.665 153 1HB LYS 24 2HB LYS 24 1.134 -5.062 11.691 154 2HB LYS 24 1HB LYS 24 2.810 -4.528 11.555 155 1HG LYS 24 2HG LYS 24 2.560 -3.302 13.422 156 2HG LYS 24 1HG LYS 24 1.311 -2.352 12.616 157 1HD LYS 24 2HD LYS 24 -0.202 -4.450 13.188 158 2HD LYS 24 1HD LYS 24 1.015 -4.710 14.440 159 1HE LYS 24 2HE LYS 24 0.223 -1.905 14.318 160 2HE LYS 24 1HE LYS 24 -1.167 -2.968 14.625 161 1HZ LYS 24 1HZ LYS 24 0.475 -2.243 16.554 162 2HZ LYS 24 2HZ LYS 24 1.337 -3.596 15.994 163 3HZ LYS 24 3HZ LYS 24 -0.265 -3.768 16.533 164 H SER 25 H SER 25 0.989 -3.756 7.919 165 HA SER 25 HA SER 25 3.790 -3.426 7.060 166 1HB SER 25 2HB SER 25 2.333 -6.051 7.261 167 2HB SER 25 1HB SER 25 3.541 -5.821 5.995 168 HG SER 25 HG SER 25 4.084 -5.147 8.680 169 H ALA 26 H ALA 26 3.839 -2.772 4.909 170 HA ALA 26 HA ALA 26 1.473 -3.287 3.184 171 1HB ALA 26 1HB ALA 26 1.696 -1.002 4.705 172 2HB ALA 26 2HB ALA 26 0.767 -1.118 3.211 173 3HB ALA 26 3HB ALA 26 2.417 -0.492 3.178 174 H ALA 27 H ALA 27 2.023 -3.307 0.985 175 HA ALA 27 HA ALA 27 4.921 -3.262 0.357 176 1HB ALA 27 1HB ALA 27 4.280 -4.544 -1.495 177 2HB ALA 27 2HB ALA 27 2.680 -3.807 -1.569 178 3HB ALA 27 3HB ALA 27 3.051 -4.986 -0.311 179 H CYS 28 H CYS 28 5.674 -1.196 -0.110 180 HA CYS 28 HA CYS 28 3.862 0.689 -1.476 181 1HB CYS 28 2HB CYS 28 6.285 0.753 0.190 182 2HB CYS 28 1HB CYS 28 6.301 1.936 -1.118 183 H THR 29 H THR 29 4.135 1.333 -3.622 184 HA THR 29 HA THR 29 5.853 -0.318 -5.321 185 HB THR 29 HB THR 29 4.621 0.623 -7.063 186 HG1 THR 29 1HG THR 29 3.981 2.737 -7.093 187 1HG2 THR 29 1HG2 THR 29 2.597 1.611 -5.165 188 2HG2 THR 29 2HG2 THR 29 3.179 -0.017 -4.825 189 3HG2 THR 29 3HG2 THR 29 2.469 0.354 -6.395 190 H LEU 30 H LEU 30 7.650 0.801 -3.671 191 HA LEU 30 HA LEU 30 8.706 3.335 -3.989 192 1HB LEU 30 2HB LEU 30 10.072 0.628 -3.919 193 2HB LEU 30 1HB LEU 30 10.933 2.151 -3.699 194 HG LEU 30 HG LEU 30 8.505 1.808 -2.034 195 1HD1 LEU 30 1HD1 LEU 30 10.351 0.539 -0.460 196 2HD1 LEU 30 2HD1 LEU 30 10.733 -0.134 -2.044 197 3HD1 LEU 30 3HD1 LEU 30 9.103 -0.294 -1.387 198 1HD2 LEU 30 1HD2 LEU 30 10.534 3.593 -2.119 199 2HD2 LEU 30 2HD2 LEU 30 11.197 2.457 -0.944 200 3HD2 LEU 30 3HD2 LEU 30 9.644 3.234 -0.639 201 H LYS 31 H LYS 31 8.341 4.184 -6.122 202 HA LYS 31 HA LYS 31 10.186 3.074 -8.208 203 1HB LYS 31 2HB LYS 31 7.270 3.428 -8.156 204 2HB LYS 31 1HB LYS 31 8.030 4.147 -9.575 205 1HG LYS 31 2HG LYS 31 7.430 1.800 -10.013 206 2HG LYS 31 1HG LYS 31 9.181 2.007 -10.037 207 1HD LYS 31 2HD LYS 31 9.484 0.722 -8.184 208 2HD LYS 31 1HD LYS 31 8.058 1.379 -7.381 209 1HE LYS 31 2HE LYS 31 7.432 -0.860 -7.796 210 2HE LYS 31 1HE LYS 31 6.734 -0.004 -9.186 211 1HZ LYS 31 1HZ LYS 31 9.075 -0.368 -10.193 212 2HZ LYS 31 2HZ LYS 31 7.958 -1.647 -10.213 213 3HZ LYS 31 3HZ LYS 31 9.196 -1.615 -9.050 214 H ALA 32 H ALA 32 11.444 4.976 -7.079 215 HA ALA 32 HA ALA 32 12.378 7.126 -7.395 216 1HB ALA 32 1HB ALA 32 12.462 7.342 -9.640 217 2HB ALA 32 2HB ALA 32 10.860 8.076 -9.593 218 3HB ALA 32 3HB ALA 32 11.026 6.337 -9.820 219 H CYS 33 H CYS 33 11.837 9.340 -6.897 220 HA CYS 33 HA CYS 33 9.034 10.170 -6.640 221 1HB CYS 33 2HB CYS 33 9.278 8.707 -4.705 222 2HB CYS 33 1HB CYS 33 10.776 9.519 -4.239 223 HA PRO 34 HA PRO 34 11.915 13.635 -7.256 224 1HB PRO 34 2HB PRO 34 10.143 15.147 -8.691 225 2HB PRO 34 1HB PRO 34 11.126 13.858 -9.416 226 1HG PRO 34 2HG PRO 34 8.269 13.824 -8.594 227 2HG PRO 34 1HG PRO 34 9.051 13.072 -9.992 228 1HD PRO 34 2HD PRO 34 8.337 11.711 -7.729 229 2HD PRO 34 1HD PRO 34 9.654 11.208 -8.815 230 H GLN 35 H GLN 35 8.767 13.407 -5.806 231 HA GLN 35 HA GLN 35 9.012 16.151 -4.648 232 1HB GLN 35 2HB GLN 35 6.911 14.543 -5.675 233 2HB GLN 35 1HB GLN 35 6.614 14.710 -3.945 234 1HG GLN 35 2HG GLN 35 6.081 16.898 -4.146 235 2HG GLN 35 1HG GLN 35 7.478 17.219 -5.175 236 1HE2 GLN 35 1HE2 GLN 35 6.779 18.031 -7.149 237 2HE2 GLN 35 2HE2 GLN 35 5.418 17.485 -8.003 Start of MODEL 8 1 1H GLU 1 1HT GLU 1 4.320 3.839 11.186 2 2H GLU 1 2HT GLU 1 6.006 4.022 11.265 3 3H GLU 1 3HT GLU 1 5.244 2.771 12.124 4 HA GLU 1 HA GLU 1 6.283 2.679 9.525 5 1HB GLU 1 2HB GLU 1 5.788 1.062 11.667 6 2HB GLU 1 1HB GLU 1 4.514 0.536 10.567 7 1HG GLU 1 2HG GLU 1 6.917 0.842 9.051 8 2HG GLU 1 1HG GLU 1 7.292 -0.118 10.482 9 H VAL 2 H VAL 2 4.271 0.656 8.604 10 HA VAL 2 HA VAL 2 2.783 2.254 6.784 11 HB VAL 2 HB VAL 2 2.283 -0.541 7.858 12 1HG1 VAL 2 1HG1 VAL 2 0.781 -0.882 6.138 13 2HG1 VAL 2 2HG1 VAL 2 1.543 0.318 5.093 14 3HG1 VAL 2 3HG1 VAL 2 0.500 0.835 6.419 15 1HG2 VAL 2 1HG2 VAL 2 3.641 0.147 5.261 16 2HG2 VAL 2 2HG2 VAL 2 3.764 -1.328 6.220 17 3HG2 VAL 2 3HG2 VAL 2 4.566 0.147 6.763 18 H THR 3 H THR 3 1.894 0.889 9.939 19 HA THR 3 HA THR 3 -0.092 1.167 11.222 20 HB THR 3 HB THR 3 0.219 3.970 10.118 21 HG1 THR 3 1HG THR 3 2.082 4.057 11.055 22 1HG2 THR 3 1HG2 THR 3 -0.468 4.601 12.401 23 2HG2 THR 3 2HG2 THR 3 -0.593 2.894 12.833 24 3HG2 THR 3 3HG2 THR 3 -1.686 3.583 11.631 25 H CYS 4 H CYS 4 -1.251 -0.130 9.418 26 HA CYS 4 HA CYS 4 -3.596 1.424 8.521 27 1HB CYS 4 2HB CYS 4 -2.417 1.876 6.596 28 2HB CYS 4 1HB CYS 4 -1.332 0.505 6.822 29 H GLU 5 H GLU 5 -5.215 -0.123 7.457 30 HA GLU 5 HA GLU 5 -5.311 -2.638 8.999 31 1HB GLU 5 2HB GLU 5 -7.167 -1.075 7.194 32 2HB GLU 5 1HB GLU 5 -7.602 -2.674 7.799 33 1HG GLU 5 2HG GLU 5 -7.022 -1.740 10.138 34 2HG GLU 5 1HG GLU 5 -7.098 -0.151 9.375 35 HA PRO 6 HA PRO 6 -3.931 -5.187 5.687 36 1HB PRO 6 2HB PRO 6 -5.249 -7.505 6.314 37 2HB PRO 6 1HB PRO 6 -3.840 -6.915 7.219 38 1HG PRO 6 2HG PRO 6 -6.737 -6.708 7.883 39 2HG PRO 6 1HG PRO 6 -5.357 -7.039 8.944 40 1HD PRO 6 2HD PRO 6 -6.551 -4.603 8.780 41 2HD PRO 6 1HD PRO 6 -4.827 -4.816 9.170 42 H GLY 7 H GLY 7 -4.631 -5.645 3.601 43 1HA GLY 7 2HA GLY 7 -6.091 -5.890 1.777 44 2HA GLY 7 1HA GLY 7 -7.339 -6.371 2.932 45 H THR 8 H THR 8 -5.582 -3.425 1.903 46 HA THR 8 HA THR 8 -8.105 -1.989 1.521 47 HB THR 8 HB THR 8 -6.306 -0.873 3.649 48 HG1 THR 8 1HG THR 8 -7.333 -2.084 5.180 49 1HG2 THR 8 1HG2 THR 8 -7.952 0.663 3.515 50 2HG2 THR 8 2HG2 THR 8 -8.986 -0.529 4.303 51 3HG2 THR 8 3HG2 THR 8 -8.965 -0.406 2.544 52 H THR 9 H THR 9 -4.584 -1.915 1.769 53 HA THR 9 HA THR 9 -2.970 -0.548 0.746 54 HB THR 9 HB THR 9 -4.142 -1.946 -1.068 55 HG1 THR 9 1HG THR 9 -3.221 -0.184 -2.665 56 1HG2 THR 9 1HG2 THR 9 -5.216 -0.315 -2.805 57 2HG2 THR 9 2HG2 THR 9 -5.517 0.710 -1.405 58 3HG2 THR 9 3HG2 THR 9 -6.200 -0.914 -1.473 59 H PHE 10 H PHE 10 -2.748 1.631 -0.584 60 HA PHE 10 HA PHE 10 -4.742 3.666 -0.441 61 1HB PHE 10 2HB PHE 10 -3.813 4.812 1.640 62 2HB PHE 10 1HB PHE 10 -4.706 3.323 1.944 63 HD1 PHE 10 1HD PHE 10 -3.595 1.327 2.734 64 HD2 PHE 10 2HD PHE 10 -1.337 4.839 1.727 65 HE1 PHE 10 1HE PHE 10 -1.590 0.350 3.821 66 HE2 PHE 10 2HE PHE 10 0.666 3.864 2.814 67 HZ PHE 10 HZ PHE 10 0.541 1.619 3.861 68 H LYS 11 H LYS 11 -3.332 5.933 0.035 69 HA LYS 11 HA LYS 11 -0.943 5.707 -1.765 70 1HB LYS 11 2HB LYS 11 -3.225 7.640 -1.475 71 2HB LYS 11 1HB LYS 11 -1.693 8.217 -2.125 72 1HG LYS 11 2HG LYS 11 -1.884 6.982 -4.052 73 2HG LYS 11 1HG LYS 11 -2.743 5.669 -3.247 74 1HD LYS 11 2HD LYS 11 -4.784 7.004 -3.161 75 2HD LYS 11 1HD LYS 11 -3.941 8.388 -3.859 76 1HE LYS 11 2HE LYS 11 -3.608 7.219 -5.955 77 2HE LYS 11 1HE LYS 11 -4.223 5.706 -5.260 78 1HZ LYS 11 1HZ LYS 11 -6.183 7.413 -4.634 79 2HZ LYS 11 2HZ LYS 11 -6.188 6.450 -6.033 80 3HZ LYS 11 3HZ LYS 11 -5.677 8.067 -6.114 81 H ASP 12 H ASP 12 0.931 6.898 -1.121 82 HA ASP 12 HA ASP 12 0.765 8.422 1.437 83 1HB ASP 12 2HB ASP 12 1.463 5.825 1.424 84 2HB ASP 12 1HB ASP 12 3.038 6.535 1.047 85 H LYS 13 H LYS 13 3.159 7.280 -0.965 86 HA LYS 13 HA LYS 13 4.242 10.075 -1.047 87 1HB LYS 13 2HB LYS 13 5.605 7.404 -1.517 88 2HB LYS 13 1HB LYS 13 6.399 8.984 -1.519 89 1HG LYS 13 2HG LYS 13 5.031 9.002 0.879 90 2HG LYS 13 1HG LYS 13 5.555 7.324 0.747 91 1HD LYS 13 2HD LYS 13 7.414 8.306 1.761 92 2HD LYS 13 1HD LYS 13 7.857 8.394 0.056 93 1HE LYS 13 2HE LYS 13 8.279 10.590 0.864 94 2HE LYS 13 1HE LYS 13 6.680 10.728 0.109 95 1HZ LYS 13 1HZ LYS 13 6.650 9.769 2.836 96 2HZ LYS 13 2HZ LYS 13 5.665 10.931 2.082 97 3HZ LYS 13 3HZ LYS 13 7.198 11.365 2.671 98 H CYS 14 H CYS 14 5.944 8.762 -3.353 99 HA CYS 14 HA CYS 14 4.391 9.836 -5.527 100 1HB CYS 14 2HB CYS 14 6.944 8.328 -5.111 101 2HB CYS 14 1HB CYS 14 6.306 8.446 -6.755 102 H ASN 15 H ASN 15 3.952 6.946 -3.866 103 HA ASN 15 HA ASN 15 2.417 5.823 -6.155 104 1HB ASN 15 2HB ASN 15 4.861 4.695 -4.855 105 2HB ASN 15 1HB ASN 15 3.600 3.568 -5.357 106 1HD2 ASN 15 1HD2 ASN 15 3.741 2.897 -7.496 107 2HD2 ASN 15 2HD2 ASN 15 4.539 3.750 -8.739 108 H THR 16 H THR 16 1.557 3.506 -5.173 109 HA THR 16 HA THR 16 0.108 4.262 -2.677 110 HB THR 16 HB THR 16 -0.406 2.745 -5.163 111 HG1 THR 16 1HG THR 16 -2.432 3.579 -4.795 112 1HG2 THR 16 1HG2 THR 16 -2.038 1.204 -4.152 113 2HG2 THR 16 2HG2 THR 16 -1.558 1.740 -2.541 114 3HG2 THR 16 3HG2 THR 16 -0.413 0.864 -3.556 115 H CYS 17 H CYS 17 -0.226 2.452 -1.082 116 HA CYS 17 HA CYS 17 2.065 0.518 -1.073 117 1HB CYS 17 2HB CYS 17 1.897 2.750 0.456 118 2HB CYS 17 1HB CYS 17 1.035 1.609 1.492 119 H ARG 18 H ARG 18 0.729 -1.261 -1.671 120 HA ARG 18 HA ARG 18 -1.849 -1.885 -0.692 121 1HB ARG 18 2HB ARG 18 0.106 -3.002 -2.327 122 2HB ARG 18 1HB ARG 18 -0.052 -4.179 -1.022 123 1HG ARG 18 2HG ARG 18 -2.404 -3.039 -2.557 124 2HG ARG 18 1HG ARG 18 -1.631 -4.576 -2.944 125 1HD ARG 18 2HD ARG 18 -2.440 -4.167 -0.099 126 2HD ARG 18 1HD ARG 18 -3.736 -4.449 -1.280 127 HE ARG 18 HE ARG 18 -1.359 -6.260 -1.207 128 1HH1 ARG 18 1HH1 ARG 18 -4.563 -5.807 -0.181 129 2HH1 ARG 18 2HH1 ARG 18 -5.099 -7.392 -0.626 130 1HH2 ARG 18 1HH2 ARG 18 -2.115 -8.255 -2.172 131 2HH2 ARG 18 2HH2 ARG 18 -3.712 -8.779 -1.754 132 H CYS 19 H CYS 19 -2.495 -2.254 1.364 133 HA CYS 19 HA CYS 19 -0.611 -2.621 3.544 134 1HB CYS 19 2HB CYS 19 -3.131 -1.636 3.210 135 2HB CYS 19 1HB CYS 19 -3.492 -3.221 3.900 136 H GLY 20 H GLY 20 0.254 -4.563 4.144 137 1HA GLY 20 2HA GLY 20 -0.431 -7.050 2.929 138 2HA GLY 20 1HA GLY 20 0.526 -6.879 4.405 139 H SER 21 H SER 21 -1.466 -8.921 3.945 140 HA SER 21 HA SER 21 -3.979 -8.313 5.202 141 1HB SER 21 2HB SER 21 -3.101 -10.325 3.759 142 2HB SER 21 1HB SER 21 -2.604 -10.990 5.312 143 HG SER 21 HG SER 21 -4.723 -10.909 5.995 144 H ASP 22 H ASP 22 -0.836 -8.520 6.477 145 HA ASP 22 HA ASP 22 -1.786 -9.300 9.195 146 1HB ASP 22 2HB ASP 22 0.994 -8.848 8.055 147 2HB ASP 22 1HB ASP 22 0.619 -9.572 9.623 148 H GLY 23 H GLY 23 -1.754 -6.552 7.487 149 1HA GLY 23 2HA GLY 23 -1.579 -4.275 8.021 150 2HA GLY 23 1HA GLY 23 -1.908 -4.788 9.679 151 H LYS 24 H LYS 24 -0.308 -2.808 9.855 152 HA LYS 24 HA LYS 24 1.889 -2.027 10.302 153 1HB LYS 24 2HB LYS 24 1.271 -4.574 11.575 154 2HB LYS 24 1HB LYS 24 3.010 -4.373 11.357 155 1HG LYS 24 2HG LYS 24 2.113 -3.431 13.527 156 2HG LYS 24 1HG LYS 24 2.990 -2.268 12.532 157 1HD LYS 24 2HD LYS 24 1.171 -0.949 12.447 158 2HD LYS 24 1HD LYS 24 0.245 -2.260 11.715 159 1HE LYS 24 2HE LYS 24 -0.724 -1.408 13.899 160 2HE LYS 24 1HE LYS 24 -0.341 -3.140 13.918 161 1HZ LYS 24 1HZ LYS 24 1.366 -2.839 15.322 162 2HZ LYS 24 2HZ LYS 24 0.607 -1.368 15.706 163 3HZ LYS 24 3HZ LYS 24 1.874 -1.404 14.576 164 H SER 25 H SER 25 1.418 -3.378 7.624 165 HA SER 25 HA SER 25 4.208 -3.502 6.787 166 1HB SER 25 2HB SER 25 2.547 -5.969 7.245 167 2HB SER 25 1HB SER 25 3.774 -5.967 5.977 168 HG SER 25 HG SER 25 5.315 -5.468 7.526 169 H ALA 26 H ALA 26 4.335 -3.212 4.539 170 HA ALA 26 HA ALA 26 1.863 -3.586 2.917 171 1HB ALA 26 1HB ALA 26 1.957 -1.283 2.157 172 2HB ALA 26 2HB ALA 26 3.469 -1.014 3.025 173 3HB ALA 26 3HB ALA 26 1.971 -1.270 3.920 174 H ALA 27 H ALA 27 2.611 -2.659 0.539 175 HA ALA 27 HA ALA 27 5.179 -4.083 -0.074 176 1HB ALA 27 1HB ALA 27 2.530 -4.343 -1.004 177 2HB ALA 27 2HB ALA 27 3.964 -5.113 -1.685 178 3HB ALA 27 3HB ALA 27 3.414 -3.560 -2.314 179 H CYS 28 H CYS 28 3.120 -1.370 -1.077 180 HA CYS 28 HA CYS 28 3.668 0.721 -1.990 181 1HB CYS 28 2HB CYS 28 5.870 -0.110 -0.218 182 2HB CYS 28 1HB CYS 28 6.340 1.083 -1.420 183 H THR 29 H THR 29 3.494 0.148 -4.221 184 HA THR 29 HA THR 29 5.776 -1.090 -5.616 185 HB THR 29 HB THR 29 3.261 -1.386 -6.072 186 HG1 THR 29 1HG THR 29 5.263 -0.829 -7.927 187 1HG2 THR 29 1HG2 THR 29 3.211 0.881 -7.901 188 2HG2 THR 29 2HG2 THR 29 3.366 1.398 -6.223 189 3HG2 THR 29 3HG2 THR 29 2.012 0.380 -6.710 190 H LEU 30 H LEU 30 6.510 1.300 -4.318 191 HA LEU 30 HA LEU 30 6.440 3.530 -6.199 192 1HB LEU 30 2HB LEU 30 7.266 4.722 -4.357 193 2HB LEU 30 1HB LEU 30 6.346 3.430 -3.594 194 HG LEU 30 HG LEU 30 9.347 3.502 -4.009 195 1HD1 LEU 30 1HD1 LEU 30 8.463 3.038 -1.317 196 2HD1 LEU 30 2HD1 LEU 30 7.644 4.467 -1.945 197 3HD1 LEU 30 3HD1 LEU 30 9.407 4.391 -1.941 198 1HD2 LEU 30 1HD2 LEU 30 8.358 1.203 -4.264 199 2HD2 LEU 30 2HD2 LEU 30 7.681 1.369 -2.650 200 3HD2 LEU 30 3HD2 LEU 30 9.428 1.357 -2.874 201 H LYS 31 H LYS 31 8.401 4.571 -6.970 202 HA LYS 31 HA LYS 31 10.823 2.835 -7.176 203 1HB LYS 31 2HB LYS 31 8.932 3.801 -9.263 204 2HB LYS 31 1HB LYS 31 10.644 3.916 -9.659 205 1HG LYS 31 2HG LYS 31 10.809 1.686 -9.958 206 2HG LYS 31 1HG LYS 31 10.016 1.363 -8.415 207 1HD LYS 31 2HD LYS 31 8.635 2.017 -11.035 208 2HD LYS 31 1HD LYS 31 8.664 0.445 -10.236 209 1HE LYS 31 2HE LYS 31 7.627 1.697 -8.199 210 2HE LYS 31 1HE LYS 31 7.229 2.959 -9.382 211 1HZ LYS 31 1HZ LYS 31 6.691 0.128 -9.993 212 2HZ LYS 31 2HZ LYS 31 5.954 1.518 -10.632 213 3HZ LYS 31 3HZ LYS 31 5.588 1.009 -9.053 214 H ALA 32 H ALA 32 11.282 4.633 -5.467 215 HA ALA 32 HA ALA 32 12.588 6.553 -4.986 216 1HB ALA 32 1HB ALA 32 13.945 7.350 -6.729 217 2HB ALA 32 2HB ALA 32 12.690 7.107 -7.944 218 3HB ALA 32 3HB ALA 32 13.564 5.722 -7.289 219 H CYS 33 H CYS 33 12.096 8.835 -4.779 220 HA CYS 33 HA CYS 33 9.818 9.905 -6.346 221 1HB CYS 33 2HB CYS 33 8.810 8.598 -4.534 222 2HB CYS 33 1HB CYS 33 9.789 9.463 -3.344 223 HA PRO 34 HA PRO 34 12.596 13.326 -5.491 224 1HB PRO 34 2HB PRO 34 11.522 14.996 -7.372 225 2HB PRO 34 1HB PRO 34 12.666 13.700 -7.774 226 1HG PRO 34 2HG PRO 34 9.715 13.780 -8.086 227 2HG PRO 34 1HG PRO 34 10.943 13.035 -9.120 228 1HD PRO 34 2HD PRO 34 9.359 11.654 -7.346 229 2HD PRO 34 1HD PRO 34 10.943 11.091 -7.932 230 H GLN 35 H GLN 35 9.237 12.984 -5.095 231 HA GLN 35 HA GLN 35 9.062 14.949 -3.006 232 1HB GLN 35 2HB GLN 35 9.287 16.383 -5.065 233 2HB GLN 35 1HB GLN 35 7.773 15.695 -5.650 234 1HG GLN 35 2HG GLN 35 7.088 17.681 -4.586 235 2HG GLN 35 1HG GLN 35 6.799 16.443 -3.363 236 1HE2 GLN 35 1HE2 GLN 35 7.041 18.536 -1.940 237 2HE2 GLN 35 2HE2 GLN 35 8.612 18.906 -1.414 Start of MODEL 9 1 1H GLU 1 1HT GLU 1 5.587 0.924 12.673 2 2H GLU 1 2HT GLU 1 4.366 -0.058 12.018 3 3H GLU 1 3HT GLU 1 3.993 1.066 13.237 4 HA GLU 1 HA GLU 1 4.053 2.859 11.825 5 1HB GLU 1 2HB GLU 1 5.431 2.586 9.658 6 2HB GLU 1 1HB GLU 1 6.332 2.605 11.175 7 1HG GLU 1 2HG GLU 1 6.492 0.194 11.190 8 2HG GLU 1 1HG GLU 1 5.407 0.066 9.806 9 H VAL 2 H VAL 2 3.299 3.093 9.343 10 HA VAL 2 HA VAL 2 1.601 2.616 7.780 11 HB VAL 2 HB VAL 2 2.359 -0.203 8.615 12 1HG1 VAL 2 1HG1 VAL 2 1.143 -0.984 6.849 13 2HG1 VAL 2 2HG1 VAL 2 1.523 0.413 5.843 14 3HG1 VAL 2 3HG1 VAL 2 0.244 0.519 7.053 15 1HG2 VAL 2 1HG2 VAL 2 4.174 1.476 7.785 16 2HG2 VAL 2 2HG2 VAL 2 3.392 1.298 6.213 17 3HG2 VAL 2 3HG2 VAL 2 4.086 -0.110 7.018 18 H THR 3 H THR 3 1.020 -0.173 9.899 19 HA THR 3 HA THR 3 -0.949 -0.814 11.050 20 HB THR 3 HB THR 3 -0.777 2.175 11.551 21 HG1 THR 3 1HG THR 3 0.965 1.341 12.451 22 1HG2 THR 3 1HG2 THR 3 -2.672 2.015 12.744 23 2HG2 THR 3 2HG2 THR 3 -1.972 0.708 13.700 24 3HG2 THR 3 3HG2 THR 3 -2.851 0.342 12.216 25 H CYS 4 H CYS 4 -2.212 -1.370 9.161 26 HA CYS 4 HA CYS 4 -4.487 0.473 8.697 27 1HB CYS 4 2HB CYS 4 -4.073 0.201 6.193 28 2HB CYS 4 1HB CYS 4 -2.886 1.192 7.047 29 H GLU 5 H GLU 5 -5.659 -0.894 6.574 30 HA GLU 5 HA GLU 5 -6.271 -3.526 7.838 31 1HB GLU 5 2HB GLU 5 -7.683 -1.431 6.334 32 2HB GLU 5 1HB GLU 5 -8.083 -3.064 5.799 33 1HG GLU 5 2HG GLU 5 -9.599 -2.849 7.529 34 2HG GLU 5 1HG GLU 5 -8.225 -3.505 8.420 35 HA PRO 6 HA PRO 6 -4.064 -5.524 4.560 36 1HB PRO 6 2HB PRO 6 -5.064 -8.046 4.952 37 2HB PRO 6 1HB PRO 6 -3.826 -7.322 5.998 38 1HG PRO 6 2HG PRO 6 -6.759 -7.579 6.439 39 2HG PRO 6 1HG PRO 6 -5.425 -7.774 7.586 40 1HD PRO 6 2HD PRO 6 -6.958 -5.533 7.459 41 2HD PRO 6 1HD PRO 6 -5.254 -5.519 7.974 42 H GLY 7 H GLY 7 -4.930 -4.793 2.616 43 1HA GLY 7 2HA GLY 7 -6.107 -5.735 0.616 44 2HA GLY 7 1HA GLY 7 -7.455 -6.111 1.697 45 H THR 8 H THR 8 -5.654 -3.129 2.002 46 HA THR 8 HA THR 8 -7.933 -1.632 0.760 47 HB THR 8 HB THR 8 -6.556 -1.157 3.421 48 HG1 THR 8 1HG THR 8 -8.807 -1.530 4.096 49 1HG2 THR 8 1HG2 THR 8 -8.392 0.487 1.746 50 2HG2 THR 8 2HG2 THR 8 -7.121 0.998 2.856 51 3HG2 THR 8 3HG2 THR 8 -8.683 0.471 3.486 52 H THR 9 H THR 9 -4.524 -1.730 1.644 53 HA THR 9 HA THR 9 -2.710 -0.338 1.053 54 HB THR 9 HB THR 9 -3.435 -1.686 -0.986 55 HG1 THR 9 1HG THR 9 -1.984 -0.609 -2.244 56 1HG2 THR 9 1HG2 THR 9 -5.464 -0.678 -1.656 57 2HG2 THR 9 2HG2 THR 9 -4.297 -0.139 -2.862 58 3HG2 THR 9 3HG2 THR 9 -4.788 0.948 -1.564 59 H PHE 10 H PHE 10 -2.324 1.831 -0.450 60 HA PHE 10 HA PHE 10 -4.292 3.877 -0.509 61 1HB PHE 10 2HB PHE 10 -3.473 5.067 1.630 62 2HB PHE 10 1HB PHE 10 -4.509 3.659 1.855 63 HD1 PHE 10 1HD PHE 10 -3.687 1.651 2.886 64 HD2 PHE 10 2HD PHE 10 -0.992 4.851 1.910 65 HE1 PHE 10 1HE PHE 10 -1.901 0.552 4.210 66 HE2 PHE 10 2HE PHE 10 0.794 3.750 3.233 67 HZ PHE 10 HZ PHE 10 0.339 1.601 4.383 68 H LYS 11 H LYS 11 -2.816 6.133 0.167 69 HA LYS 11 HA LYS 11 -0.296 5.825 -1.438 70 1HB LYS 11 2HB LYS 11 -2.594 7.084 -2.207 71 2HB LYS 11 1HB LYS 11 -1.729 8.419 -1.443 72 1HG LYS 11 2HG LYS 11 -0.266 8.558 -3.153 73 2HG LYS 11 1HG LYS 11 0.040 6.820 -3.114 74 1HD LYS 11 2HD LYS 11 -1.894 6.373 -4.480 75 2HD LYS 11 1HD LYS 11 -2.433 8.048 -4.358 76 1HE LYS 11 2HE LYS 11 -1.001 8.746 -5.994 77 2HE LYS 11 1HE LYS 11 0.319 7.718 -5.400 78 1HZ LYS 11 1HZ LYS 11 -1.035 7.144 -7.599 79 2HZ LYS 11 2HZ LYS 11 -2.034 6.366 -6.465 80 3HZ LYS 11 3HZ LYS 11 -0.394 5.943 -6.587 81 H ASP 12 H ASP 12 1.425 6.260 -0.121 82 HA ASP 12 HA ASP 12 1.046 8.117 2.189 83 1HB ASP 12 2HB ASP 12 1.853 5.714 2.432 84 2HB ASP 12 1HB ASP 12 3.319 6.209 1.579 85 H LYS 13 H LYS 13 3.074 7.491 -0.642 86 HA LYS 13 HA LYS 13 4.094 10.296 -0.453 87 1HB LYS 13 2HB LYS 13 5.798 7.910 -1.214 88 2HB LYS 13 1HB LYS 13 6.336 9.527 -0.751 89 1HG LYS 13 2HG LYS 13 5.227 9.081 1.517 90 2HG LYS 13 1HG LYS 13 5.123 7.394 1.014 91 1HD LYS 13 2HD LYS 13 7.384 7.060 1.179 92 2HD LYS 13 1HD LYS 13 7.768 8.705 0.670 93 1HE LYS 13 2HE LYS 13 6.482 9.121 3.087 94 2HE LYS 13 1HE LYS 13 7.418 7.644 3.386 95 1HZ LYS 13 1HZ LYS 13 9.204 8.985 2.016 96 2HZ LYS 13 2HZ LYS 13 9.051 9.181 3.697 97 3HZ LYS 13 3HZ LYS 13 8.357 10.316 2.640 98 H CYS 14 H CYS 14 5.841 8.981 -2.841 99 HA CYS 14 HA CYS 14 3.979 9.904 -4.931 100 1HB CYS 14 2HB CYS 14 6.760 8.727 -5.200 101 2HB CYS 14 1HB CYS 14 5.943 9.830 -6.313 102 H ASN 15 H ASN 15 4.034 7.122 -3.305 103 HA ASN 15 HA ASN 15 3.254 5.518 -5.705 104 1HB ASN 15 2HB ASN 15 5.190 4.735 -3.503 105 2HB ASN 15 1HB ASN 15 4.584 3.630 -4.734 106 1HD2 ASN 15 1HD2 ASN 15 7.226 5.506 -4.047 107 2HD2 ASN 15 2HD2 ASN 15 7.761 5.838 -5.632 108 H THR 16 H THR 16 2.255 3.350 -4.842 109 HA THR 16 HA THR 16 0.409 4.049 -2.591 110 HB THR 16 HB THR 16 0.286 2.359 -5.080 111 HG1 THR 16 1HG THR 16 -0.456 4.580 -4.911 112 1HG2 THR 16 1HG2 THR 16 -1.558 2.108 -2.687 113 2HG2 THR 16 2HG2 THR 16 -0.465 0.861 -3.287 114 3HG2 THR 16 3HG2 THR 16 -1.836 1.375 -4.268 115 H CYS 17 H CYS 17 0.581 2.951 -0.734 116 HA CYS 17 HA CYS 17 2.421 0.615 -0.607 117 1HB CYS 17 2HB CYS 17 2.046 2.970 0.852 118 2HB CYS 17 1HB CYS 17 1.403 1.697 1.886 119 H ARG 18 H ARG 18 1.362 -1.294 -0.827 120 HA ARG 18 HA ARG 18 -1.453 -1.662 -0.239 121 1HB ARG 18 2HB ARG 18 -0.528 -2.992 -1.949 122 2HB ARG 18 1HB ARG 18 0.911 -3.368 -1.003 123 1HG ARG 18 2HG ARG 18 -0.548 -5.330 -1.099 124 2HG ARG 18 1HG ARG 18 -0.491 -4.711 0.551 125 1HD ARG 18 2HD ARG 18 -2.683 -3.958 0.490 126 2HD ARG 18 1HD ARG 18 -2.647 -3.680 -1.263 127 HE ARG 18 HE ARG 18 -2.361 -6.492 -0.428 128 1HH1 ARG 18 1HH1 ARG 18 -4.723 -4.057 -0.745 129 2HH1 ARG 18 2HH1 ARG 18 -5.823 -5.032 -1.659 130 1HH2 ARG 18 1HH2 ARG 18 -3.642 -7.714 -1.925 131 2HH2 ARG 18 2HH2 ARG 18 -5.213 -7.104 -2.324 132 H CYS 19 H CYS 19 -2.324 -2.103 1.742 133 HA CYS 19 HA CYS 19 -0.791 -2.275 4.146 134 1HB CYS 19 2HB CYS 19 -3.249 -1.643 3.717 135 2HB CYS 19 1HB CYS 19 -3.569 -3.379 3.698 136 H GLY 20 H GLY 20 0.453 -3.985 4.794 137 1HA GLY 20 2HA GLY 20 0.673 -6.482 3.575 138 2HA GLY 20 1HA GLY 20 1.042 -6.212 5.282 139 H SER 21 H SER 21 0.045 -8.641 4.761 140 HA SER 21 HA SER 21 -2.854 -8.800 4.788 141 1HB SER 21 2HB SER 21 -0.734 -10.471 4.312 142 2HB SER 21 1HB SER 21 -1.240 -11.010 5.910 143 HG SER 21 HG SER 21 -2.301 -11.772 3.741 144 H ASP 22 H ASP 22 -0.583 -7.917 7.154 145 HA ASP 22 HA ASP 22 -2.601 -8.408 9.312 146 1HB ASP 22 2HB ASP 22 -0.630 -8.988 10.769 147 2HB ASP 22 1HB ASP 22 -0.887 -10.130 9.446 148 H GLY 23 H GLY 23 -2.255 -5.948 7.917 149 1HA GLY 23 2HA GLY 23 -1.729 -3.678 8.257 150 2HA GLY 23 1HA GLY 23 -2.084 -4.051 9.946 151 H LYS 24 H LYS 24 -0.298 -2.266 10.053 152 HA LYS 24 HA LYS 24 1.976 -1.680 10.432 153 1HB LYS 24 2HB LYS 24 1.235 -4.240 11.724 154 2HB LYS 24 1HB LYS 24 2.971 -3.939 11.628 155 1HG LYS 24 2HG LYS 24 2.795 -1.904 12.839 156 2HG LYS 24 1HG LYS 24 1.044 -1.837 12.626 157 1HD LYS 24 2HD LYS 24 1.664 -4.323 13.877 158 2HD LYS 24 1HD LYS 24 2.522 -3.055 14.754 159 1HE LYS 24 2HE LYS 24 0.030 -1.913 14.315 160 2HE LYS 24 1HE LYS 24 -0.355 -3.611 14.657 161 1HZ LYS 24 1HZ LYS 24 0.071 -1.950 16.611 162 2HZ LYS 24 2HZ LYS 24 1.703 -2.267 16.263 163 3HZ LYS 24 3HZ LYS 24 0.661 -3.539 16.693 164 H SER 25 H SER 25 1.525 -2.665 7.766 165 HA SER 25 HA SER 25 4.244 -3.450 7.053 166 1HB SER 25 2HB SER 25 1.930 -5.396 7.013 167 2HB SER 25 1HB SER 25 3.339 -5.619 5.973 168 HG SER 25 HG SER 25 3.173 -5.591 8.794 169 H ALA 26 H ALA 26 4.614 -2.710 4.966 170 HA ALA 26 HA ALA 26 2.322 -2.465 3.090 171 1HB ALA 26 1HB ALA 26 2.445 -0.129 2.974 172 2HB ALA 26 2HB ALA 26 4.095 -0.089 3.595 173 3HB ALA 26 3HB ALA 26 2.750 -0.418 4.687 174 H ALA 27 H ALA 27 2.983 -2.883 1.017 175 HA ALA 27 HA ALA 27 5.792 -3.537 0.489 176 1HB ALA 27 1HB ALA 27 4.833 -4.758 -1.177 177 2HB ALA 27 2HB ALA 27 3.866 -3.392 -1.733 178 3HB ALA 27 3HB ALA 27 3.313 -4.369 -0.372 179 H CYS 28 H CYS 28 3.441 -1.159 -0.699 180 HA CYS 28 HA CYS 28 3.770 0.929 -1.723 181 1HB CYS 28 2HB CYS 28 6.171 0.362 -0.131 182 2HB CYS 28 1HB CYS 28 6.460 1.485 -1.459 183 H THR 29 H THR 29 3.720 1.089 -3.896 184 HA THR 29 HA THR 29 4.988 -0.767 -5.673 185 HB THR 29 HB THR 29 4.002 0.594 -7.364 186 HG1 THR 29 1HG THR 29 4.621 2.597 -7.153 187 1HG2 THR 29 1HG2 THR 29 1.874 0.378 -6.642 188 2HG2 THR 29 2HG2 THR 29 2.112 1.557 -5.354 189 3HG2 THR 29 3HG2 THR 29 2.565 -0.128 -5.101 190 H LEU 30 H LEU 30 5.988 2.386 -4.430 191 HA LEU 30 HA LEU 30 8.053 3.522 -4.617 192 1HB LEU 30 2HB LEU 30 8.983 0.799 -5.587 193 2HB LEU 30 1HB LEU 30 9.978 2.052 -4.847 194 HG LEU 30 HG LEU 30 7.605 0.869 -3.406 195 1HD1 LEU 30 1HD1 LEU 30 8.935 -0.834 -2.482 196 2HD1 LEU 30 2HD1 LEU 30 10.440 -0.050 -2.964 197 3HD1 LEU 30 3HD1 LEU 30 9.425 -0.835 -4.175 198 1HD2 LEU 30 1HD2 LEU 30 8.897 1.655 -1.431 199 2HD2 LEU 30 2HD2 LEU 30 8.526 2.976 -2.540 200 3HD2 LEU 30 3HD2 LEU 30 10.144 2.274 -2.513 201 H LYS 31 H LYS 31 10.044 2.557 -6.734 202 HA LYS 31 HA LYS 31 10.542 3.108 -8.972 203 1HB LYS 31 2HB LYS 31 9.216 1.613 -10.031 204 2HB LYS 31 1HB LYS 31 8.001 1.739 -8.766 205 1HG LYS 31 2HG LYS 31 7.229 3.894 -9.940 206 2HG LYS 31 1HG LYS 31 8.235 3.381 -11.296 207 1HD LYS 31 2HD LYS 31 6.213 2.407 -11.885 208 2HD LYS 31 1HD LYS 31 6.939 1.092 -10.959 209 1HE LYS 31 2HE LYS 31 4.983 1.165 -9.767 210 2HE LYS 31 1HE LYS 31 5.719 2.572 -8.976 211 1HZ LYS 31 1HZ LYS 31 4.848 3.926 -10.861 212 2HZ LYS 31 2HZ LYS 31 3.640 3.274 -9.861 213 3HZ LYS 31 3HZ LYS 31 3.966 2.571 -11.372 214 H ALA 32 H ALA 32 9.112 5.134 -6.973 215 HA ALA 32 HA ALA 32 8.928 7.303 -9.000 216 1HB ALA 32 1HB ALA 32 6.798 6.942 -6.894 217 2HB ALA 32 2HB ALA 32 6.678 6.121 -8.450 218 3HB ALA 32 3HB ALA 32 6.719 7.883 -8.383 219 H CYS 33 H CYS 33 8.145 9.363 -7.399 220 HA CYS 33 HA CYS 33 8.884 10.832 -5.702 221 1HB CYS 33 2HB CYS 33 8.569 8.238 -4.626 222 2HB CYS 33 1HB CYS 33 10.100 8.842 -3.987 223 HA PRO 34 HA PRO 34 13.111 11.221 -7.008 224 1HB PRO 34 2HB PRO 34 13.611 13.605 -5.763 225 2HB PRO 34 1HB PRO 34 12.676 13.478 -7.266 226 1HG PRO 34 2HG PRO 34 11.720 13.798 -4.464 227 2HG PRO 34 1HG PRO 34 11.107 14.529 -5.956 228 1HD PRO 34 2HD PRO 34 9.921 12.405 -4.731 229 2HD PRO 34 1HD PRO 34 9.832 12.701 -6.484 230 H GLN 35 H GLN 35 12.087 11.597 -3.642 231 HA GLN 35 HA GLN 35 14.692 10.376 -2.796 232 1HB GLN 35 2HB GLN 35 14.649 11.945 -0.879 233 2HB GLN 35 1HB GLN 35 14.658 12.817 -2.413 234 1HG GLN 35 2HG GLN 35 12.970 13.906 -1.183 235 2HG GLN 35 1HG GLN 35 12.070 12.782 -2.201 236 1HE2 GLN 35 1HE2 GLN 35 10.429 11.837 -0.986 237 2HE2 GLN 35 2HE2 GLN 35 10.580 11.322 0.624 Start of MODEL 10 1 1H GLU 1 1HT GLU 1 4.255 3.522 11.568 2 2H GLU 1 2HT GLU 1 2.780 4.299 11.243 3 3H GLU 1 3HT GLU 1 4.182 5.216 11.528 4 HA GLU 1 HA GLU 1 4.202 5.326 9.267 5 1HB GLU 1 2HB GLU 1 5.882 3.460 10.521 6 2HB GLU 1 1HB GLU 1 5.329 2.651 9.053 7 1HG GLU 1 2HG GLU 1 6.098 5.489 8.713 8 2HG GLU 1 1HG GLU 1 7.421 4.394 9.114 9 H VAL 2 H VAL 2 3.663 1.801 9.594 10 HA VAL 2 HA VAL 2 1.715 1.933 7.371 11 HB VAL 2 HB VAL 2 2.859 -0.382 8.968 12 1HG1 VAL 2 1HG1 VAL 2 2.210 -1.468 6.624 13 2HG1 VAL 2 2HG1 VAL 2 1.032 -0.156 6.608 14 3HG1 VAL 2 3HG1 VAL 2 1.024 -1.333 7.922 15 1HG2 VAL 2 1HG2 VAL 2 4.755 0.091 7.840 16 2HG2 VAL 2 2HG2 VAL 2 3.944 1.323 6.871 17 3HG2 VAL 2 3HG2 VAL 2 3.894 -0.368 6.371 18 H THR 3 H THR 3 1.499 -0.220 10.174 19 HA THR 3 HA THR 3 -0.440 -0.849 11.379 20 HB THR 3 HB THR 3 -0.584 0.701 13.034 21 HG1 THR 3 1HG THR 3 -1.674 2.444 12.676 22 1HG2 THR 3 1HG2 THR 3 1.800 0.848 12.323 23 2HG2 THR 3 2HG2 THR 3 1.217 2.330 13.080 24 3HG2 THR 3 3HG2 THR 3 1.381 2.242 11.326 25 H CYS 4 H CYS 4 -1.013 -0.550 8.607 26 HA CYS 4 HA CYS 4 -3.575 0.959 8.490 27 1HB CYS 4 2HB CYS 4 -3.294 0.496 6.042 28 2HB CYS 4 1HB CYS 4 -1.901 1.319 6.751 29 H GLU 5 H GLU 5 -5.273 -0.263 7.038 30 HA GLU 5 HA GLU 5 -5.860 -2.843 8.354 31 1HB GLU 5 2HB GLU 5 -7.500 -0.955 8.000 32 2HB GLU 5 1HB GLU 5 -7.392 -1.256 6.265 33 1HG GLU 5 2HG GLU 5 -7.903 -3.766 7.104 34 2HG GLU 5 1HG GLU 5 -8.711 -2.868 8.390 35 HA PRO 6 HA PRO 6 -4.142 -5.166 5.007 36 1HB PRO 6 2HB PRO 6 -5.415 -7.545 5.524 37 2HB PRO 6 1HB PRO 6 -4.026 -6.958 6.461 38 1HG PRO 6 2HG PRO 6 -6.939 -6.804 7.098 39 2HG PRO 6 1HG PRO 6 -5.572 -7.200 8.156 40 1HD PRO 6 2HD PRO 6 -6.725 -4.761 8.158 41 2HD PRO 6 1HD PRO 6 -4.983 -4.985 8.449 42 H GLY 7 H GLY 7 -4.783 -5.388 2.890 43 1HA GLY 7 2HA GLY 7 -6.218 -5.713 1.039 44 2HA GLY 7 1HA GLY 7 -7.516 -6.121 2.168 45 H THR 8 H THR 8 -5.511 -3.204 1.573 46 HA THR 8 HA THR 8 -7.895 -1.641 0.863 47 HB THR 8 HB THR 8 -6.425 -1.292 3.491 48 HG1 THR 8 1HG THR 8 -8.003 -2.487 4.138 49 1HG2 THR 8 1HG2 THR 8 -8.321 0.484 1.980 50 2HG2 THR 8 2HG2 THR 8 -6.846 0.915 2.849 51 3HG2 THR 8 3HG2 THR 8 -8.310 0.505 3.744 52 H THR 9 H THR 9 -4.452 -1.708 1.681 53 HA THR 9 HA THR 9 -2.679 -0.279 1.052 54 HB THR 9 HB THR 9 -3.433 -1.635 -0.983 55 HG1 THR 9 1HG THR 9 -1.798 -0.756 -1.965 56 1HG2 THR 9 1HG2 THR 9 -4.315 -0.070 -2.839 57 2HG2 THR 9 2HG2 THR 9 -4.808 0.996 -1.525 58 3HG2 THR 9 3HG2 THR 9 -5.470 -0.636 -1.635 59 H PHE 10 H PHE 10 -2.386 1.938 -0.431 60 HA PHE 10 HA PHE 10 -4.429 3.913 -0.417 61 1HB PHE 10 2HB PHE 10 -3.647 5.076 1.744 62 2HB PHE 10 1HB PHE 10 -4.606 3.613 1.951 63 HD1 PHE 10 1HD PHE 10 -3.734 1.760 3.133 64 HD2 PHE 10 2HD PHE 10 -1.084 4.845 1.751 65 HE1 PHE 10 1HE PHE 10 -1.865 0.714 4.382 66 HE2 PHE 10 2HE PHE 10 0.786 3.798 3.002 67 HZ PHE 10 HZ PHE 10 0.396 1.732 4.318 68 H LYS 11 H LYS 11 -3.335 6.225 -0.157 69 HA LYS 11 HA LYS 11 -0.848 6.175 -1.779 70 1HB LYS 11 2HB LYS 11 -3.183 7.887 -1.352 71 2HB LYS 11 1HB LYS 11 -1.678 8.807 -1.340 72 1HG LYS 11 2HG LYS 11 -1.035 7.741 -3.491 73 2HG LYS 11 1HG LYS 11 -2.584 6.898 -3.515 74 1HD LYS 11 2HD LYS 11 -3.080 8.770 -4.807 75 2HD LYS 11 1HD LYS 11 -3.569 9.326 -3.206 76 1HE LYS 11 2HE LYS 11 -2.093 11.032 -3.386 77 2HE LYS 11 1HE LYS 11 -0.772 9.850 -3.473 78 1HZ LYS 11 1HZ LYS 11 -1.134 9.599 -5.815 79 2HZ LYS 11 2HZ LYS 11 -0.946 11.255 -5.487 80 3HZ LYS 11 3HZ LYS 11 -2.491 10.613 -5.772 81 H ASP 12 H ASP 12 1.134 6.811 -0.910 82 HA ASP 12 HA ASP 12 1.107 8.033 1.824 83 1HB ASP 12 2HB ASP 12 1.491 5.504 1.689 84 2HB ASP 12 1HB ASP 12 3.021 5.887 0.891 85 H LYS 13 H LYS 13 3.192 7.254 -0.972 86 HA LYS 13 HA LYS 13 4.571 9.874 -0.503 87 1HB LYS 13 2HB LYS 13 5.700 7.210 -1.416 88 2HB LYS 13 1HB LYS 13 6.631 8.701 -1.230 89 1HG LYS 13 2HG LYS 13 5.305 8.486 1.194 90 2HG LYS 13 1HG LYS 13 5.713 6.814 0.815 91 1HD LYS 13 2HD LYS 13 8.020 8.202 0.138 92 2HD LYS 13 1HD LYS 13 7.466 9.019 1.600 93 1HE LYS 13 2HE LYS 13 7.638 7.081 2.909 94 2HE LYS 13 1HE LYS 13 7.533 6.006 1.500 95 1HZ LYS 13 1HZ LYS 13 9.729 7.961 1.744 96 2HZ LYS 13 2HZ LYS 13 9.670 6.533 0.825 97 3HZ LYS 13 3HZ LYS 13 9.840 6.454 2.513 98 H CYS 14 H CYS 14 5.827 8.186 -3.152 99 HA CYS 14 HA CYS 14 4.366 9.988 -5.011 100 1HB CYS 14 2HB CYS 14 6.258 9.471 -6.484 101 2HB CYS 14 1HB CYS 14 6.857 9.906 -4.880 102 H ASN 15 H ASN 15 3.244 7.362 -3.885 103 HA ASN 15 HA ASN 15 2.112 6.395 -6.387 104 1HB ASN 15 2HB ASN 15 4.536 5.212 -5.247 105 2HB ASN 15 1HB ASN 15 3.255 4.025 -5.493 106 1HD2 ASN 15 1HD2 ASN 15 5.238 3.505 -7.158 107 2HD2 ASN 15 2HD2 ASN 15 4.978 4.117 -8.730 108 H THR 16 H THR 16 2.818 4.234 -3.711 109 HA THR 16 HA THR 16 0.576 4.735 -2.039 110 HB THR 16 HB THR 16 0.092 3.396 -4.633 111 HG1 THR 16 1HG THR 16 -1.819 4.384 -4.374 112 1HG2 THR 16 1HG2 THR 16 -1.562 1.816 -3.810 113 2HG2 THR 16 2HG2 THR 16 -1.250 2.301 -2.143 114 3HG2 THR 16 3HG2 THR 16 -0.007 1.449 -3.061 115 H CYS 17 H CYS 17 -0.012 2.632 -0.786 116 HA CYS 17 HA CYS 17 2.278 0.709 -0.752 117 1HB CYS 17 2HB CYS 17 2.053 2.833 0.952 118 2HB CYS 17 1HB CYS 17 1.175 1.594 1.854 119 H ARG 18 H ARG 18 1.427 -1.334 -0.829 120 HA ARG 18 HA ARG 18 -1.422 -1.811 -0.384 121 1HB ARG 18 2HB ARG 18 -0.383 -3.035 -2.125 122 2HB ARG 18 1HB ARG 18 1.012 -3.437 -1.124 123 1HG ARG 18 2HG ARG 18 -0.428 -5.404 -1.368 124 2HG ARG 18 1HG ARG 18 -0.449 -4.852 0.306 125 1HD ARG 18 2HD ARG 18 -2.576 -3.613 -0.167 126 2HD ARG 18 1HD ARG 18 -2.575 -4.311 -1.799 127 HE ARG 18 HE ARG 18 -3.196 -5.751 0.660 128 1HH1 ARG 18 1HH2 ARG 18 -3.601 -5.947 -2.567 129 2HH1 ARG 18 2HH2 ARG 18 -3.189 -7.620 -2.745 130 1HH2 ARG 18 1HH1 ARG 18 -1.925 -7.927 0.467 131 2HH2 ARG 18 2HH1 ARG 18 -2.244 -8.741 -1.028 132 H CYS 19 H CYS 19 -2.291 -2.258 1.598 133 HA CYS 19 HA CYS 19 -0.626 -2.683 3.947 134 1HB CYS 19 2HB CYS 19 -2.954 -1.548 3.637 135 2HB CYS 19 1HB CYS 19 -3.593 -3.193 3.728 136 H GLY 20 H GLY 20 0.360 -4.646 4.264 137 1HA GLY 20 2HA GLY 20 -0.267 -7.079 3.000 138 2HA GLY 20 1HA GLY 20 0.594 -6.966 4.538 139 H SER 21 H SER 21 -0.798 -9.089 4.671 140 HA SER 21 HA SER 21 -3.632 -8.727 5.309 141 1HB SER 21 2HB SER 21 -2.026 -10.763 4.443 142 2HB SER 21 1HB SER 21 -2.181 -11.165 6.150 143 HG SER 21 HG SER 21 -3.929 -12.071 5.207 144 H ASP 22 H ASP 22 -0.735 -8.223 7.006 145 HA ASP 22 HA ASP 22 -1.964 -8.830 9.655 146 1HB ASP 22 2HB ASP 22 0.765 -8.555 8.490 147 2HB ASP 22 1HB ASP 22 0.574 -8.072 10.180 148 H GLY 23 H GLY 23 -1.982 -6.309 7.567 149 1HA GLY 23 2HA GLY 23 -2.544 -4.047 7.896 150 2HA GLY 23 1HA GLY 23 -2.610 -4.375 9.631 151 H LYS 24 H LYS 24 -0.198 -4.993 10.449 152 HA LYS 24 HA LYS 24 1.371 -2.556 10.024 153 1HB LYS 24 2HB LYS 24 1.604 -5.069 11.691 154 2HB LYS 24 1HB LYS 24 2.866 -3.837 11.696 155 1HG LYS 24 2HG LYS 24 1.654 -2.502 13.045 156 2HG LYS 24 1HG LYS 24 0.250 -2.623 11.984 157 1HD LYS 24 2HD LYS 24 -0.328 -3.521 14.176 158 2HD LYS 24 1HD LYS 24 -0.283 -4.838 13.004 159 1HE LYS 24 2HE LYS 24 2.288 -4.925 13.814 160 2HE LYS 24 1HE LYS 24 1.543 -4.291 15.296 161 1HZ LYS 24 1HZ LYS 24 1.542 -6.823 14.929 162 2HZ LYS 24 2HZ LYS 24 0.297 -6.518 13.814 163 3HZ LYS 24 3HZ LYS 24 0.104 -6.084 15.446 164 H SER 25 H SER 25 1.310 -3.697 7.570 165 HA SER 25 HA SER 25 4.120 -4.322 7.056 166 1HB SER 25 2HB SER 25 1.921 -6.396 6.863 167 2HB SER 25 1HB SER 25 3.449 -6.561 5.996 168 HG SER 25 HG SER 25 4.075 -7.405 7.827 169 H ALA 26 H ALA 26 4.144 -2.702 5.466 170 HA ALA 26 HA ALA 26 2.095 -2.894 3.294 171 1HB ALA 26 1HB ALA 26 2.627 -0.806 4.851 172 2HB ALA 26 2HB ALA 26 2.270 -0.576 3.138 173 3HB ALA 26 3HB ALA 26 3.942 -0.565 3.701 174 H ALA 27 H ALA 27 2.977 -2.360 1.083 175 HA ALA 27 HA ALA 27 5.692 -3.571 0.734 176 1HB ALA 27 1HB ALA 27 4.427 -4.897 -0.613 177 2HB ALA 27 2HB ALA 27 4.376 -3.518 -1.713 178 3HB ALA 27 3HB ALA 27 3.069 -3.773 -0.556 179 H CYS 28 H CYS 28 3.531 -1.046 -0.484 180 HA CYS 28 HA CYS 28 3.986 1.033 -1.456 181 1HB CYS 28 2HB CYS 28 6.321 0.352 0.252 182 2HB CYS 28 1HB CYS 28 6.551 1.671 -0.896 183 H THR 29 H THR 29 3.920 0.723 -3.672 184 HA THR 29 HA THR 29 5.977 -0.772 -5.111 185 HB THR 29 HB THR 29 3.574 -0.649 -5.746 186 HG1 THR 29 1HG THR 29 5.104 0.650 -7.727 187 1HG2 THR 29 1HG2 THR 29 3.505 1.868 -7.047 188 2HG2 THR 29 2HG2 THR 29 4.083 2.160 -5.406 189 3HG2 THR 29 3HG2 THR 29 2.541 1.343 -5.666 190 H LEU 30 H LEU 30 7.712 0.765 -4.077 191 HA LEU 30 HA LEU 30 7.979 3.482 -4.920 192 1HB LEU 30 2HB LEU 30 10.175 1.479 -4.331 193 2HB LEU 30 1HB LEU 30 10.221 3.224 -4.071 194 HG LEU 30 HG LEU 30 7.925 2.198 -2.719 195 1HD1 LEU 30 1HD1 LEU 30 8.708 0.457 -1.388 196 2HD1 LEU 30 2HD1 LEU 30 10.398 0.890 -1.637 197 3HD1 LEU 30 3HD1 LEU 30 9.498 0.084 -2.920 198 1HD2 LEU 30 1HD2 LEU 30 10.124 3.953 -2.313 199 2HD2 LEU 30 2HD2 LEU 30 10.101 2.835 -0.949 200 3HD2 LEU 30 3HD2 LEU 30 8.673 3.800 -1.323 201 H LYS 31 H LYS 31 8.952 4.384 -6.736 202 HA LYS 31 HA LYS 31 10.214 2.583 -8.744 203 1HB LYS 31 2HB LYS 31 7.547 3.343 -8.839 204 2HB LYS 31 1HB LYS 31 8.333 4.525 -9.888 205 1HG LYS 31 2HG LYS 31 7.813 2.700 -11.319 206 2HG LYS 31 1HG LYS 31 9.532 2.520 -10.965 207 1HD LYS 31 2HD LYS 31 8.270 0.373 -10.748 208 2HD LYS 31 1HD LYS 31 9.047 0.865 -9.242 209 1HE LYS 31 2HE LYS 31 7.048 1.203 -8.180 210 2HE LYS 31 1HE LYS 31 6.294 1.903 -9.625 211 1HZ LYS 31 1HZ LYS 31 6.560 -0.907 -8.846 212 2HZ LYS 31 2HZ LYS 31 6.666 -0.539 -10.502 213 3HZ LYS 31 3HZ LYS 31 5.274 -0.120 -9.623 214 H ALA 32 H ALA 32 9.317 5.919 -7.844 215 HA ALA 32 HA ALA 32 12.000 6.824 -8.772 216 1HB ALA 32 1HB ALA 32 10.089 8.795 -9.501 217 2HB ALA 32 2HB ALA 32 9.468 7.246 -10.069 218 3HB ALA 32 3HB ALA 32 11.063 7.798 -10.580 219 H CYS 33 H CYS 33 8.941 8.105 -7.444 220 HA CYS 33 HA CYS 33 8.571 9.619 -5.665 221 1HB CYS 33 2HB CYS 33 10.515 7.539 -4.885 222 2HB CYS 33 1HB CYS 33 10.504 8.960 -3.835 223 HA PRO 34 HA PRO 34 11.747 12.591 -6.950 224 1HB PRO 34 2HB PRO 34 10.055 14.739 -6.932 225 2HB PRO 34 1HB PRO 34 10.174 13.618 -8.303 226 1HG PRO 34 2HG PRO 34 8.120 13.778 -6.162 227 2HG PRO 34 1HG PRO 34 7.936 13.388 -7.878 228 1HD PRO 34 2HD PRO 34 7.951 11.524 -5.865 229 2HD PRO 34 1HD PRO 34 8.392 11.178 -7.554 230 H GLN 35 H GLN 35 9.988 12.048 -4.135 231 HA GLN 35 HA GLN 35 11.579 14.116 -2.662 232 1HB GLN 35 2HB GLN 35 9.481 14.285 -1.202 233 2HB GLN 35 1HB GLN 35 9.332 14.948 -2.831 234 1HG GLN 35 2HG GLN 35 8.164 13.012 -3.614 235 2HG GLN 35 1HG GLN 35 8.547 12.108 -2.148 236 1HE2 GLN 35 1HE2 GLN 35 6.999 12.183 -0.501 237 2HE2 GLN 35 2HE2 GLN 35 5.728 13.305 -0.421
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