NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22064 | 2j5h | 7299 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 1 H LYS 1 13.620 11.376 -9.923 2 HA LYS 1 HA LYS 1 13.809 13.467 -7.856 3 1HB LYS 1 2HB LYS 1 12.699 13.364 -10.688 4 2HB LYS 1 3HB LYS 1 12.297 14.681 -9.594 5 1HG LYS 1 2HG LYS 1 14.084 15.389 -10.975 6 2HG LYS 1 3HG LYS 1 14.644 15.280 -9.307 7 1HD LYS 1 2HD LYS 1 15.838 13.203 -9.785 8 2HD LYS 1 3HD LYS 1 15.191 13.151 -11.432 9 1HE LYS 1 2HE LYS 1 16.963 15.366 -10.299 10 2HE LYS 1 3HE LYS 1 17.564 13.988 -11.229 11 1HZ LYS 1 2HZ LYS 1 15.662 16.007 -12.235 12 2HZ LYS 1 3HZ LYS 1 17.260 15.922 -12.613 13 3HZ LYS 1 1HZ LYS 1 16.240 14.726 -13.093 14 H GLU 2 H GLU 2 12.758 11.921 -6.323 15 HA GLU 2 HA GLU 2 9.841 12.395 -6.266 16 1HB GLU 2 2HB GLU 2 9.354 10.052 -5.829 17 2HB GLU 2 3HB GLU 2 10.181 10.215 -7.373 18 1HG GLU 2 2HG GLU 2 12.364 9.654 -5.983 19 2HG GLU 2 3HG GLU 2 11.228 9.066 -4.767 20 HE2 GLU 2 2HE GLU 2 10.523 6.224 -6.662 21 H HIS 3 H HIS 3 8.950 12.111 -4.173 22 HA HIS 3 HA HIS 3 10.783 11.881 -1.832 23 1HB HIS 3 2HB HIS 3 8.674 14.051 -2.205 24 2HB HIS 3 3HB HIS 3 9.648 13.783 -0.767 25 H CYS 4 H CYS 4 8.772 10.027 -3.268 26 HA CYS 4 HA CYS 4 8.048 8.727 -0.960 27 1HB CYS 4 2HB CYS 4 5.688 8.991 -0.938 28 2HB CYS 4 3HB CYS 4 6.368 10.532 -0.602 29 H GLY 5 H GLY 5 6.098 7.148 -1.595 30 1HA GLY 5 3HA GLY 5 5.577 5.278 -2.790 31 2HA GLY 5 2HA GLY 5 6.778 5.708 -4.022 32 H SER 6 H SER 6 3.488 5.256 -3.685 33 HA SER 6 HA SER 6 2.485 7.102 -5.583 34 1HB SER 6 2HB SER 6 2.709 5.704 -7.620 35 2HB SER 6 3HB SER 6 4.265 6.292 -7.039 36 HG SER 6 HG SER 6 4.339 4.073 -7.571 37 H ILE 7 H ILE 7 1.230 4.449 -6.988 38 HA ILE 7 HA ILE 7 -0.614 3.708 -4.878 39 HB ILE 7 HB ILE 7 -1.387 4.621 -7.673 40 1HD1 ILE 7 1HD ILE 7 -2.820 6.250 -4.475 41 2HD1 ILE 7 2HD ILE 7 -1.150 5.793 -4.157 42 3HD1 ILE 7 3HD ILE 7 -1.520 7.478 -4.541 43 H LEU 8 H LEU 8 -1.632 1.658 -5.610 44 HA LEU 8 HA LEU 8 -0.476 0.243 -7.852 45 1HB LEU 8 2HB LEU 8 1.291 0.246 -6.161 46 2HB LEU 8 3HB LEU 8 0.244 -0.558 -5.002 47 HG LEU 8 HG LEU 8 0.468 -2.141 -7.453 48 H HIS 9 H HIS 9 -1.102 -2.237 -7.001 49 HA HIS 9 HA HIS 9 -3.462 -3.087 -5.997 50 1HB HIS 9 2HB HIS 9 -4.888 -3.263 -8.091 51 2HB HIS 9 3HB HIS 9 -4.925 -1.787 -7.150 52 H GLY 10 H GLY 10 -1.587 -4.345 -5.698 53 1HA GLY 10 3HA GLY 10 -0.323 -6.242 -6.013 54 2HA GLY 10 2HA GLY 10 -0.552 -6.133 -7.775 55 H THR 11 H THR 11 -2.655 -6.569 -8.588 56 HA THR 11 HA THR 11 -4.118 -8.790 -7.303 57 HB THR 11 HB THR 11 -6.027 -6.931 -8.412 58 H TRP 12 H TRP 12 -4.156 -6.497 -10.011 59 HA TRP 12 HA TRP 12 -4.877 -6.505 -12.059 60 1HB TRP 12 2HB TRP 12 -4.084 -8.528 -13.596 61 2HB TRP 12 3HB TRP 12 -2.980 -7.336 -12.978 62 H LEU 13 H LEU 13 -5.980 -7.651 -13.903 63 HA LEU 13 HA LEU 13 -8.024 -8.186 -14.664 64 1HB LEU 13 2HB LEU 13 -8.182 -10.216 -12.419 65 2HB LEU 13 3HB LEU 13 -8.943 -10.306 -14.027 66 HG LEU 13 HG LEU 13 -6.000 -10.526 -13.468 67 HA PRO 14 HA PRO 14 -10.843 -5.730 -12.375 68 1HB PRO 14 2HB PRO 14 -13.340 -6.748 -12.107 69 2HB PRO 14 3HB PRO 14 -12.594 -6.448 -13.702 70 1HG PRO 14 2HG PRO 14 -12.740 -9.073 -12.191 71 2HG PRO 14 3HG PRO 14 -13.146 -8.758 -13.908 72 1HD PRO 14 2HD PRO 14 -10.733 -9.737 -13.066 73 2HD PRO 14 3HD PRO 14 -10.881 -8.703 -14.526 74 H LYS 15 H LYS 15 -9.192 -6.186 -10.510 75 HA LYS 15 HA LYS 15 -10.768 -6.786 -8.040 76 1HB LYS 15 2HB LYS 15 -7.966 -7.755 -8.664 77 2HB LYS 15 3HB LYS 15 -8.848 -7.999 -7.140 78 1HG LYS 15 2HG LYS 15 -10.452 -9.459 -8.269 79 2HG LYS 15 3HG LYS 15 -9.645 -9.177 -9.828 80 1HD LYS 15 2HD LYS 15 -7.554 -10.172 -8.962 81 2HD LYS 15 3HD LYS 15 -8.315 -10.426 -7.387 82 1HE LYS 15 2HE LYS 15 -8.282 -12.506 -8.650 83 2HE LYS 15 3HE LYS 15 -9.948 -11.972 -8.378 84 1HZ LYS 15 2HZ LYS 15 -8.418 -11.559 -10.864 85 2HZ LYS 15 3HZ LYS 15 -9.567 -12.726 -10.644 86 3HZ LYS 15 1HZ LYS 15 -9.988 -11.133 -10.616 87 H LYS 16 H LYS 16 -10.027 -5.835 -6.137 88 HA LYS 16 HA LYS 16 -8.318 -3.437 -6.460 89 1HB LYS 16 2HB LYS 16 -9.981 -2.044 -5.378 90 2HB LYS 16 3HB LYS 16 -10.569 -2.696 -6.893 91 1HG LYS 16 2HG LYS 16 -12.424 -3.436 -5.883 92 2HG LYS 16 3HG LYS 16 -11.469 -4.531 -4.890 93 1HD LYS 16 2HD LYS 16 -11.094 -2.566 -3.281 94 2HD LYS 16 3HD LYS 16 -12.284 -1.667 -4.238 95 1HE LYS 16 2HE LYS 16 -13.982 -3.399 -3.773 96 2HE LYS 16 3HE LYS 16 -12.777 -4.373 -2.913 97 1HZ LYS 16 1HZ LYS 16 -12.578 -2.608 -1.295 98 2HZ LYS 16 2HZ LYS 16 -13.696 -1.693 -2.084 99 3HZ LYS 16 3HZ LYS 16 -14.139 -3.117 -1.390 100 H CYS 17 H CYS 17 -6.795 -4.895 -5.382 101 HA CYS 17 HA CYS 17 -6.999 -4.761 -2.471 102 1HB CYS 17 2HB CYS 17 -6.116 -7.394 -3.562 103 2HB CYS 17 3HB CYS 17 -6.900 -7.036 -2.050 104 H SER 18 H SER 18 -4.855 -4.488 -1.624 105 HA SER 18 HA SER 18 -2.584 -4.348 -1.557 106 1HB SER 18 2HB SER 18 -2.453 -4.934 -4.455 107 2HB SER 18 3HB SER 18 -1.096 -4.844 -3.339 108 HG SER 18 HG SER 18 -2.410 -6.972 -4.039 109 H LEU 19 H LEU 19 -1.250 -2.443 -1.672 110 HA LEU 19 HA LEU 19 -2.006 -0.328 -3.494 111 1HB LEU 19 2HB LEU 19 -3.501 -0.645 -1.121 112 2HB LEU 19 3HB LEU 19 -2.293 0.490 -0.620 113 HG LEU 19 HG LEU 19 -4.328 1.588 -1.297 114 H CYS 20 H CYS 20 -0.933 1.731 -1.873 115 HA CYS 20 HA CYS 20 1.707 1.125 -0.907 116 1HB CYS 20 2HB CYS 20 1.237 3.081 -3.161 117 2HB CYS 20 3HB CYS 20 2.775 2.878 -2.353 118 H ARG 21 H ARG 21 2.553 3.590 -0.600 119 HA ARG 21 HA ARG 21 0.396 5.425 -0.042 120 1HB ARG 21 2HB ARG 21 2.452 4.911 2.175 121 2HB ARG 21 3HB ARG 21 1.406 6.310 2.079 122 1HG ARG 21 2HG ARG 21 -0.604 4.864 2.201 123 2HG ARG 21 3HG ARG 21 0.447 3.457 2.465 124 1HD ARG 21 2HD ARG 21 1.352 4.467 4.516 125 2HD ARG 21 3HD ARG 21 0.509 5.976 4.188 126 HE ARG 21 HE ARG 21 -1.452 5.146 4.962 127 H CYS 22 H CYS 22 1.616 7.629 0.527 128 HA CYS 22 HA CYS 22 4.176 7.737 -0.885 129 1HB CYS 22 2HB CYS 22 2.859 8.746 -2.493 130 2HB CYS 22 3HB CYS 22 1.731 9.417 -1.307 131 H TRP 23 H TRP 23 5.426 7.785 1.100 132 HA TRP 23 HA TRP 23 4.986 10.218 2.730 133 1HB TRP 23 2HB TRP 23 4.887 7.468 3.582 134 2HB TRP 23 3HB TRP 23 6.360 8.163 4.219 135 H HIS 24 H HIS 24 7.053 10.986 3.628 136 HA HIS 24 HA HIS 24 8.986 11.407 1.619 137 1HB HIS 24 2HB HIS 24 8.253 12.753 3.784 138 2HB HIS 24 3HB HIS 24 9.572 11.872 4.544 139 H GLY 25 H GLY 25 8.867 8.679 3.643 140 1HA GLY 25 3HA GLY 25 11.675 8.121 3.904 141 2HA GLY 25 2HA GLY 25 11.002 7.359 2.452 142 H GLN 26 H GLN 26 8.261 6.774 3.538 143 HA GLN 26 HA GLN 26 8.939 4.642 5.408 144 1HB GLN 26 2HB GLN 26 8.511 6.765 6.766 145 2HB GLN 26 3HB GLN 26 6.874 6.792 6.103 146 1HG GLN 26 2HG GLN 26 6.436 4.568 7.121 147 2HG GLN 26 3HG GLN 26 8.087 4.533 7.761 148 H LEU 27 H LEU 27 7.597 2.949 4.933 149 HA LEU 27 HA LEU 27 6.225 1.630 3.777 150 1HB LEU 27 2HB LEU 27 4.589 2.948 5.146 151 2HB LEU 27 3HB LEU 27 4.292 3.972 3.755 152 HG LEU 27 HG LEU 27 2.546 2.339 4.069 153 H HIS 28 H HIS 28 7.226 1.144 1.879 154 HA HIS 28 HA HIS 28 6.994 2.906 -0.465 155 1HB HIS 28 2HB HIS 28 8.117 0.100 -0.097 156 2HB HIS 28 3HB HIS 28 7.904 0.841 -1.679 157 H CYS 29 H CYS 29 6.057 -0.575 -0.511 158 HA CYS 29 HA CYS 29 3.309 0.113 -1.298 159 1HB CYS 29 2HB CYS 29 5.392 -1.192 -3.051 160 2HB CYS 29 3HB CYS 29 3.658 -1.377 -3.313 161 H LEU 30 H LEU 30 2.019 -1.237 -0.164 162 HA LEU 30 HA LEU 30 2.566 -4.037 0.136 163 1HB LEU 30 2HB LEU 30 2.590 -2.063 2.460 164 2HB LEU 30 3HB LEU 30 2.120 -3.741 2.698 165 HG LEU 30 HG LEU 30 4.845 -2.767 1.780 166 HA PRO 31 HA PRO 31 -1.949 -3.655 0.328 167 1HB PRO 31 2HB PRO 31 -2.669 -6.050 1.503 168 2HB PRO 31 3HB PRO 31 -2.141 -5.912 -0.193 169 1HG PRO 31 2HG PRO 31 -0.515 -6.789 2.177 170 2HG PRO 31 3HG PRO 31 -0.537 -7.447 0.511 171 1HD PRO 31 2HD PRO 31 1.385 -5.706 1.450 172 2HD PRO 31 3HD PRO 31 0.888 -5.784 -0.267 173 H GLN 32 H GLN 32 -1.072 -5.418 3.280 174 HA GLN 32 HA GLN 32 -1.091 -4.888 5.515 175 1HB GLN 32 2HB GLN 32 0.129 -2.826 4.904 176 2HB GLN 32 3HB GLN 32 -1.400 -1.964 4.728 177 1HG GLN 32 2HG GLN 32 -1.909 -2.304 7.110 178 2HG GLN 32 3HG GLN 32 -0.429 -3.250 7.305 179 H THR 33 H THR 33 -3.006 -6.210 5.132 180 HA THR 33 HA THR 33 -5.117 -6.811 5.141 181 HB THR 33 HB THR 33 -4.314 -5.913 7.511 182 H PHE 34 H PHE 34 -4.598 -4.420 3.370 183 HA PHE 34 HA PHE 34 -6.578 -2.623 3.178 184 1HB PHE 34 2HB PHE 34 -4.606 -2.758 1.757 185 2HB PHE 34 3HB PHE 34 -5.236 -4.153 0.911 186 HZ PHE 34 HZ PHE 34 -8.004 0.134 -2.035 187 H LEU 35 H LEU 35 -6.970 -6.026 2.116 188 HA LEU 35 HA LEU 35 -9.819 -5.684 2.420 189 1HB LEU 35 2HB LEU 35 -9.404 -5.099 -0.014 190 2HB LEU 35 3HB LEU 35 -8.798 -6.733 -0.250 191 HG LEU 35 HG LEU 35 -11.081 -7.571 0.601 192 HA PRO 36 HA PRO 36 -8.099 -9.661 3.972 193 1HB PRO 36 2HB PRO 36 -9.731 -10.057 6.124 194 2HB PRO 36 3HB PRO 36 -8.398 -8.868 6.117 195 1HG PRO 36 2HG PRO 36 -11.332 -8.338 5.499 196 2HG PRO 36 3HG PRO 36 -10.285 -7.492 6.690 197 1HD PRO 36 2HD PRO 36 -10.630 -6.460 4.230 198 2HD PRO 36 3HD PRO 36 -9.018 -6.466 4.990 199 H GLY 37 H GLY 37 -9.091 -10.061 1.782 200 1HA GLY 37 3HA GLY 37 -11.524 -11.245 1.217 201 2HA GLY 37 2HA GLY 37 -10.560 -12.570 1.899 202 H CYS 38 H CYS 38 -8.099 -10.898 0.584 203 HA CYS 38 HA CYS 38 -8.162 -11.962 -2.099 204 1HB CYS 38 2HB CYS 38 -9.893 -10.185 -2.207 205 2HB CYS 38 3HB CYS 38 -8.744 -9.044 -1.507 206 H ASP 39 H ASP 39 -6.255 -12.636 -0.805 207 HA ASP 39 HA ASP 39 -4.068 -12.608 -0.231 208 1HB ASP 39 2HB ASP 39 -3.781 -10.180 -2.052 209 2HB ASP 39 3HB ASP 39 -2.468 -11.151 -1.390 No H/Q in entry = 209 Start of MODEL 2 1 H LYS 1 H LYS 1 14.804 11.521 -8.777 2 HA LYS 1 HA LYS 1 14.943 10.265 -6.214 3 1HB LYS 1 2HB LYS 1 15.537 12.544 -5.412 4 2HB LYS 1 3HB LYS 1 16.491 11.941 -6.743 5 1HG LYS 1 2HG LYS 1 16.162 14.240 -7.098 6 2HG LYS 1 3HG LYS 1 15.241 13.401 -8.336 7 1HD LYS 1 2HD LYS 1 13.146 13.869 -7.168 8 2HD LYS 1 3HD LYS 1 14.012 14.556 -5.786 9 1HE LYS 1 2HE LYS 1 14.072 15.666 -8.631 10 2HE LYS 1 3HE LYS 1 12.989 16.236 -7.355 11 1HZ LYS 1 1HZ LYS 1 14.916 16.876 -6.068 12 2HZ LYS 1 2HZ LYS 1 15.938 16.352 -7.254 13 3HZ LYS 1 3HZ LYS 1 14.928 17.620 -7.534 14 H GLU 2 H GLU 2 12.357 9.900 -7.169 15 HA GLU 2 HA GLU 2 10.392 11.743 -6.789 16 1HB GLU 2 2HB GLU 2 10.286 9.492 -7.919 17 2HB GLU 2 3HB GLU 2 10.157 8.745 -6.333 18 1HG GLU 2 2HG GLU 2 8.065 10.388 -6.081 19 2HG GLU 2 3HG GLU 2 8.160 10.457 -7.835 20 HE2 GLU 2 2HE GLU 2 7.057 7.026 -5.984 21 H HIS 3 H HIS 3 10.961 9.155 -4.344 22 HA HIS 3 HA HIS 3 10.105 8.882 -2.241 23 1HB HIS 3 2HB HIS 3 11.123 11.697 -1.746 24 2HB HIS 3 3HB HIS 3 10.901 10.423 -0.561 25 H CYS 4 H CYS 4 8.081 9.942 -4.199 26 HA CYS 4 HA CYS 4 6.110 9.737 -2.129 27 1HB CYS 4 2HB CYS 4 6.554 12.249 -2.300 28 2HB CYS 4 3HB CYS 4 5.926 12.175 -3.938 29 H GLY 5 H GLY 5 5.439 7.817 -3.151 30 1HA GLY 5 3HA GLY 5 4.279 8.108 -5.894 31 2HA GLY 5 2HA GLY 5 3.346 7.523 -4.516 32 H SER 6 H SER 6 3.388 5.322 -4.086 33 HA SER 6 HA SER 6 5.094 3.679 -5.929 34 1HB SER 6 2HB SER 6 4.612 3.309 -2.965 35 2HB SER 6 3HB SER 6 5.484 2.164 -4.020 36 HG SER 6 HG SER 6 6.797 4.125 -4.537 37 H ILE 7 H ILE 7 2.312 4.519 -6.018 38 HA ILE 7 HA ILE 7 0.343 2.785 -5.194 39 HB ILE 7 HB ILE 7 0.371 4.204 -7.857 40 1HD1 ILE 7 2HD ILE 7 0.492 5.002 -4.145 41 2HD1 ILE 7 1HD ILE 7 -1.220 5.310 -4.522 42 3HD1 ILE 7 3HD ILE 7 -0.081 6.659 -4.379 43 H LEU 8 H LEU 8 -0.880 1.129 -6.260 44 HA LEU 8 HA LEU 8 0.522 -0.563 -8.198 45 1HB LEU 8 2HB LEU 8 1.423 -0.698 -5.657 46 2HB LEU 8 3HB LEU 8 0.020 -1.753 -5.487 47 HG LEU 8 HG LEU 8 1.010 -3.110 -7.443 48 H HIS 9 H HIS 9 -0.703 -2.876 -7.424 49 HA HIS 9 HA HIS 9 -3.279 -3.580 -7.792 50 1HB HIS 9 2HB HIS 9 -3.890 -3.015 -10.141 51 2HB HIS 9 3HB HIS 9 -3.905 -1.661 -9.033 52 H GLY 10 H GLY 10 -1.299 -5.254 -7.269 53 1HA GLY 10 3HA GLY 10 0.079 -6.919 -7.972 54 2HA GLY 10 2HA GLY 10 0.098 -6.271 -9.617 55 H THR 11 H THR 11 -2.820 -6.254 -10.026 56 HA THR 11 HA THR 11 -3.711 -9.046 -9.670 57 HB THR 11 HB THR 11 -4.894 -6.571 -8.299 58 H TRP 12 H TRP 12 -5.739 -9.413 -10.752 59 HA TRP 12 HA TRP 12 -6.146 -7.727 -13.102 60 1HB TRP 12 2HB TRP 12 -7.626 -9.711 -13.731 61 2HB TRP 12 3HB TRP 12 -5.959 -10.153 -13.408 62 H LEU 13 H LEU 13 -8.413 -7.547 -13.836 63 HA LEU 13 HA LEU 13 -10.005 -6.001 -13.814 64 1HB LEU 13 2HB LEU 13 -10.646 -7.458 -11.363 65 2HB LEU 13 3HB LEU 13 -10.916 -5.750 -11.126 66 HG LEU 13 HG LEU 13 -12.305 -5.739 -13.256 67 HA PRO 14 HA PRO 14 -7.744 -2.465 -12.665 68 1HB PRO 14 2HB PRO 14 -9.432 -0.396 -12.142 69 2HB PRO 14 3HB PRO 14 -9.329 -1.178 -13.746 70 1HG PRO 14 2HG PRO 14 -11.358 -1.709 -11.555 71 2HG PRO 14 3HG PRO 14 -11.657 -1.422 -13.299 72 1HD PRO 14 2HD PRO 14 -11.526 -3.912 -12.193 73 2HD PRO 14 3HD PRO 14 -10.968 -3.599 -13.866 74 H LYS 15 H LYS 15 -7.027 -3.855 -10.767 75 HA LYS 15 HA LYS 15 -6.152 -3.836 -8.652 76 1HB LYS 15 2HB LYS 15 -8.153 -1.812 -7.639 77 2HB LYS 15 3HB LYS 15 -6.667 -2.326 -6.893 78 1HG LYS 15 2HG LYS 15 -5.508 -0.648 -7.750 79 2HG LYS 15 3HG LYS 15 -6.004 -1.029 -9.398 80 1HD LYS 15 2HD LYS 15 -6.547 1.273 -8.757 81 2HD LYS 15 3HD LYS 15 -7.975 0.350 -9.213 82 1HE LYS 15 2HE LYS 15 -8.485 -0.010 -6.782 83 2HE LYS 15 3HE LYS 15 -7.088 0.991 -6.366 84 1HZ LYS 15 2HZ LYS 15 -9.444 1.865 -7.916 85 2HZ LYS 15 3HZ LYS 15 -9.144 2.242 -6.344 86 3HZ LYS 15 1HZ LYS 15 -8.160 2.821 -7.529 87 H LYS 16 H LYS 16 -7.180 -4.239 -6.453 88 HA LYS 16 HA LYS 16 -9.693 -5.080 -5.813 89 1HB LYS 16 2HB LYS 16 -8.358 -7.081 -7.554 90 2HB LYS 16 3HB LYS 16 -8.790 -7.744 -5.980 91 1HG LYS 16 2HG LYS 16 -11.112 -7.169 -6.268 92 2HG LYS 16 3HG LYS 16 -10.775 -6.273 -7.756 93 1HD LYS 16 2HD LYS 16 -9.911 -8.383 -8.806 94 2HD LYS 16 3HD LYS 16 -10.400 -9.280 -7.362 95 1HE LYS 16 2HE LYS 16 -12.228 -7.641 -9.176 96 2HE LYS 16 3HE LYS 16 -12.046 -9.400 -9.236 97 1HZ LYS 16 2HZ LYS 16 -13.073 -7.877 -6.929 98 2HZ LYS 16 3HZ LYS 16 -13.987 -8.754 -7.978 99 3HZ LYS 16 1HZ LYS 16 -12.908 -9.512 -6.993 100 H CYS 17 H CYS 17 -6.221 -5.957 -5.801 101 HA CYS 17 HA CYS 17 -6.046 -5.899 -2.876 102 1HB CYS 17 2HB CYS 17 -5.521 -8.440 -4.500 103 2HB CYS 17 3HB CYS 17 -5.166 -8.212 -2.790 104 H SER 18 H SER 18 -4.302 -4.585 -2.876 105 HA SER 18 HA SER 18 -1.773 -4.457 -3.228 106 1HB SER 18 2HB SER 18 -2.613 -4.489 -6.078 107 2HB SER 18 3HB SER 18 -1.036 -3.962 -5.445 108 HG SER 18 HG SER 18 -2.220 -6.511 -5.261 109 H LEU 19 H LEU 19 -1.729 -2.320 -2.411 110 HA LEU 19 HA LEU 19 -2.151 -0.313 -4.374 111 1HB LEU 19 2HB LEU 19 -4.350 -0.794 -2.676 112 2HB LEU 19 3HB LEU 19 -3.487 0.403 -1.757 113 HG LEU 19 HG LEU 19 -5.295 1.329 -3.095 114 H CYS 20 H CYS 20 -1.510 1.931 -2.941 115 HA CYS 20 HA CYS 20 0.327 1.590 -0.811 116 1HB CYS 20 2HB CYS 20 1.592 0.741 -2.988 117 2HB CYS 20 3HB CYS 20 1.676 2.467 -3.326 118 H ARG 21 H ARG 21 1.777 3.837 -1.169 119 HA ARG 21 HA ARG 21 -0.194 6.026 -1.537 120 1HB ARG 21 2HB ARG 21 1.180 5.297 1.084 121 2HB ARG 21 3HB ARG 21 0.668 6.952 0.760 122 1HG ARG 21 2HG ARG 21 -1.648 6.091 0.240 123 2HG ARG 21 3HG ARG 21 -1.140 4.513 0.879 124 1HD ARG 21 2HD ARG 21 -0.697 5.488 3.068 125 2HD ARG 21 3HD ARG 21 -0.909 7.128 2.421 126 HE ARG 21 HE ARG 21 -3.203 5.325 2.155 127 H CYS 22 H CYS 22 1.091 8.137 -0.727 128 HA CYS 22 HA CYS 22 3.677 8.343 -2.111 129 1HB CYS 22 2HB CYS 22 1.745 9.047 -3.555 130 2HB CYS 22 3HB CYS 22 1.244 10.161 -2.291 131 H TRP 23 H TRP 23 4.896 8.495 -0.156 132 HA TRP 23 HA TRP 23 4.576 10.988 1.206 133 1HB TRP 23 2HB TRP 23 3.167 9.227 2.519 134 2HB TRP 23 3HB TRP 23 4.709 8.484 2.933 135 H HIS 24 H HIS 24 6.617 11.266 2.597 136 HA HIS 24 HA HIS 24 8.873 10.373 0.955 137 1HB HIS 24 2HB HIS 24 8.512 12.726 1.649 138 2HB HIS 24 3HB HIS 24 8.715 12.264 3.338 139 H GLY 25 H GLY 25 8.648 8.069 1.493 140 1HA GLY 25 3HA GLY 25 9.988 7.367 4.091 141 2HA GLY 25 2HA GLY 25 10.491 6.723 2.528 142 H GLN 26 H GLN 26 7.224 6.946 2.301 143 HA GLN 26 HA GLN 26 5.430 5.546 2.715 144 1HB GLN 26 2HB GLN 26 7.402 4.016 0.972 145 2HB GLN 26 3HB GLN 26 5.645 3.793 1.013 146 1HG GLN 26 2HG GLN 26 5.480 5.344 -0.538 147 2HG GLN 26 3HG GLN 26 5.854 6.523 0.702 148 H LEU 27 H LEU 27 5.924 5.290 4.961 149 HA LEU 27 HA LEU 27 5.928 3.628 6.801 150 1HB LEU 27 2HB LEU 27 3.412 3.318 6.843 151 2HB LEU 27 3HB LEU 27 4.023 4.950 6.799 152 HG LEU 27 HG LEU 27 3.378 3.820 4.106 153 H HIS 28 H HIS 28 3.577 2.072 4.632 154 HA HIS 28 HA HIS 28 5.426 0.374 3.474 155 1HB HIS 28 2HB HIS 28 3.385 -0.904 5.354 156 2HB HIS 28 3HB HIS 28 3.887 -1.734 3.892 157 H CYS 29 H CYS 29 4.168 -0.781 1.649 158 HA CYS 29 HA CYS 29 1.817 0.681 0.670 159 1HB CYS 29 2HB CYS 29 3.146 -1.943 -0.158 160 2HB CYS 29 3HB CYS 29 1.798 -1.194 -0.985 161 H LEU 30 H LEU 30 -0.205 -0.790 0.218 162 HA LEU 30 HA LEU 30 -0.762 -2.686 2.363 163 1HB LEU 30 2HB LEU 30 -2.224 -0.072 1.917 164 2HB LEU 30 3HB LEU 30 -3.017 -1.481 2.625 165 HG LEU 30 HG LEU 30 -0.647 -0.020 3.840 166 HA PRO 31 HA PRO 31 -2.616 -3.984 -1.471 167 1HB PRO 31 2HB PRO 31 -3.433 -6.523 -0.832 168 2HB PRO 31 3HB PRO 31 -1.730 -6.087 -1.171 169 1HG PRO 31 2HG PRO 31 -3.083 -6.373 1.511 170 2HG PRO 31 3HG PRO 31 -1.460 -6.961 1.000 171 1HD PRO 31 2HD PRO 31 -1.911 -4.619 2.425 172 2HD PRO 31 3HD PRO 31 -0.514 -4.832 1.321 173 H GLN 32 H GLN 32 -4.210 -4.176 1.618 174 HA GLN 32 HA GLN 32 -6.107 -2.363 0.795 175 1HB GLN 32 2HB GLN 32 -8.175 -3.839 1.619 176 2HB GLN 32 3HB GLN 32 -7.731 -3.619 -0.057 177 1HG GLN 32 2HG GLN 32 -8.364 -5.916 0.355 178 2HG GLN 32 3HG GLN 32 -6.689 -5.831 -0.172 179 H THR 33 H THR 33 -6.328 -4.975 3.299 180 HA THR 33 HA THR 33 -6.126 -2.923 5.386 181 HB THR 33 HB THR 33 -6.984 -5.785 5.787 182 H PHE 34 H PHE 34 -4.273 -5.496 4.025 183 HA PHE 34 HA PHE 34 -2.541 -6.794 4.672 184 1HB PHE 34 2HB PHE 34 -1.479 -4.601 4.534 185 2HB PHE 34 3HB PHE 34 -1.786 -4.322 6.241 186 HZ PHE 34 HZ PHE 34 3.230 -7.329 6.633 187 H LEU 35 H LEU 35 -4.565 -7.792 5.798 188 HA LEU 35 HA LEU 35 -3.318 -9.024 8.068 189 1HB LEU 35 2HB LEU 35 -5.645 -7.339 8.578 190 2HB LEU 35 3HB LEU 35 -6.023 -9.023 8.947 191 HG LEU 35 HG LEU 35 -3.556 -7.607 10.025 192 HA PRO 36 HA PRO 36 -5.852 -11.672 5.037 193 1HB PRO 36 2HB PRO 36 -7.717 -10.472 3.473 194 2HB PRO 36 3HB PRO 36 -8.155 -11.256 5.022 195 1HG PRO 36 2HG PRO 36 -7.696 -8.316 4.483 196 2HG PRO 36 3HG PRO 36 -9.023 -9.077 5.414 197 1HD PRO 36 2HD PRO 36 -6.765 -7.988 6.558 198 2HD PRO 36 3HD PRO 36 -7.658 -9.353 7.287 199 H GLY 37 H GLY 37 -4.583 -11.750 3.209 200 1HA GLY 37 3HA GLY 37 -3.165 -11.057 1.521 201 2HA GLY 37 2HA GLY 37 -3.059 -9.456 2.287 202 H CYS 38 H CYS 38 -6.176 -10.907 1.459 203 HA CYS 38 HA CYS 38 -6.717 -8.965 -0.614 204 1HB CYS 38 2HB CYS 38 -5.249 -10.613 -1.735 205 2HB CYS 38 3HB CYS 38 -6.340 -11.917 -1.273 206 H ASP 39 H ASP 39 -8.134 -8.674 1.206 207 HA ASP 39 HA ASP 39 -10.318 -10.346 1.907 208 1HB ASP 39 2HB ASP 39 -9.780 -8.292 3.134 209 2HB ASP 39 3HB ASP 39 -10.162 -7.307 1.714 No H/Q in entry = 209 Start of MODEL 3 1 H LYS 1 H LYS 1 13.916 14.574 -6.103 2 HA LYS 1 HA LYS 1 14.674 12.909 -3.769 3 1HB LYS 1 2HB LYS 1 13.882 14.791 -2.394 4 2HB LYS 1 3HB LYS 1 15.255 15.173 -3.423 5 1HG LYS 1 2HG LYS 1 13.549 16.248 -5.067 6 2HG LYS 1 3HG LYS 1 12.376 16.113 -3.745 7 1HD LYS 1 2HD LYS 1 13.984 17.364 -2.284 8 2HD LYS 1 3HD LYS 1 15.053 17.572 -3.677 9 1HE LYS 1 2HE LYS 1 12.181 18.601 -3.495 10 2HE LYS 1 3HE LYS 1 13.619 19.567 -3.148 11 1HZ LYS 1 1HZ LYS 1 14.332 19.239 -5.420 12 2HZ LYS 1 2HZ LYS 1 12.987 18.348 -5.758 13 3HZ LYS 1 3HZ LYS 1 12.848 19.940 -5.375 14 H GLU 2 H GLU 2 13.226 11.413 -5.172 15 HA GLU 2 HA GLU 2 10.401 11.829 -5.208 16 1HB GLU 2 2HB GLU 2 11.874 10.439 -6.783 17 2HB GLU 2 3HB GLU 2 11.838 9.175 -5.550 18 1HG GLU 2 2HG GLU 2 9.270 9.270 -5.707 19 2HG GLU 2 3HG GLU 2 9.465 10.391 -7.048 20 HE2 GLU 2 2HE GLU 2 11.060 7.576 -8.856 21 H HIS 3 H HIS 3 10.934 12.290 -2.603 22 HA HIS 3 HA HIS 3 10.533 9.979 -0.866 23 1HB HIS 3 2HB HIS 3 10.304 11.756 0.899 24 2HB HIS 3 3HB HIS 3 11.796 11.777 -0.014 25 H CYS 4 H CYS 4 8.520 9.939 -2.829 26 HA CYS 4 HA CYS 4 6.095 10.361 -1.223 27 1HB CYS 4 2HB CYS 4 6.603 12.332 -2.884 28 2HB CYS 4 3HB CYS 4 5.965 11.257 -4.103 29 H GLY 5 H GLY 5 4.961 9.588 -4.320 30 1HA GLY 5 3HA GLY 5 4.378 7.013 -3.306 31 2HA GLY 5 2HA GLY 5 5.588 6.926 -4.587 32 H SER 6 H SER 6 2.873 5.749 -4.481 33 HA SER 6 HA SER 6 1.418 6.847 -6.638 34 1HB SER 6 2HB SER 6 3.609 6.301 -7.788 35 2HB SER 6 3HB SER 6 3.386 4.605 -7.311 36 HG SER 6 HG SER 6 2.623 5.218 -9.460 37 H ILE 7 H ILE 7 0.687 4.404 -7.643 38 HA ILE 7 HA ILE 7 -1.025 3.411 -5.396 39 HB ILE 7 HB ILE 7 -1.753 3.719 -8.323 40 1HD1 ILE 7 2HD ILE 7 -1.476 5.678 -5.064 41 2HD1 ILE 7 1HD ILE 7 -3.228 5.423 -5.206 42 3HD1 ILE 7 3HD ILE 7 -2.509 6.982 -5.658 43 H LEU 8 H LEU 8 -2.028 1.231 -5.728 44 HA LEU 8 HA LEU 8 -0.851 -0.697 -7.489 45 1HB LEU 8 2HB LEU 8 0.790 -0.444 -5.448 46 2HB LEU 8 3HB LEU 8 -0.483 -1.225 -4.519 47 HG LEU 8 HG LEU 8 -0.226 -2.990 -6.628 48 H HIS 9 H HIS 9 -1.772 -2.921 -6.298 49 HA HIS 9 HA HIS 9 -4.446 -2.849 -5.271 50 1HB HIS 9 2HB HIS 9 -5.218 -4.104 -7.497 51 2HB HIS 9 3HB HIS 9 -5.451 -2.398 -7.163 52 H GLY 10 H GLY 10 -1.730 -4.253 -4.921 53 1HA GLY 10 3HA GLY 10 -2.239 -6.829 -4.308 54 2HA GLY 10 2HA GLY 10 -0.649 -6.264 -4.838 55 H THR 11 H THR 11 -3.737 -7.456 -5.973 56 HA THR 11 HA THR 11 -2.768 -9.350 -7.896 57 HB THR 11 HB THR 11 -5.472 -8.105 -7.226 58 H TRP 12 H TRP 12 -3.182 -9.212 -10.205 59 HA TRP 12 HA TRP 12 -2.742 -6.546 -11.338 60 1HB TRP 12 2HB TRP 12 -2.469 -8.000 -13.453 61 2HB TRP 12 3HB TRP 12 -1.301 -8.274 -12.173 62 H LEU 13 H LEU 13 -3.897 -6.139 -13.466 63 HA LEU 13 HA LEU 13 -5.750 -5.054 -14.141 64 1HB LEU 13 2HB LEU 13 -6.732 -7.773 -13.651 65 2HB LEU 13 3HB LEU 13 -7.955 -6.624 -13.220 66 HG LEU 13 HG LEU 13 -7.649 -5.556 -15.520 67 HA PRO 14 HA PRO 14 -7.011 -2.767 -10.556 68 1HB PRO 14 2HB PRO 14 -9.561 -1.846 -10.838 69 2HB PRO 14 3HB PRO 14 -8.248 -1.392 -11.956 70 1HG PRO 14 2HG PRO 14 -10.292 -3.609 -12.322 71 2HG PRO 14 3HG PRO 14 -9.889 -2.282 -13.464 72 1HD PRO 14 2HD PRO 14 -8.784 -4.733 -13.674 73 2HD PRO 14 3HD PRO 14 -7.816 -3.273 -14.023 74 H LYS 15 H LYS 15 -7.064 -5.568 -10.016 75 HA LYS 15 HA LYS 15 -9.594 -6.304 -8.695 76 1HB LYS 15 2HB LYS 15 -6.835 -7.469 -9.006 77 2HB LYS 15 3HB LYS 15 -7.988 -8.210 -7.902 78 1HG LYS 15 2HG LYS 15 -8.718 -7.775 -10.834 79 2HG LYS 15 3HG LYS 15 -7.723 -9.140 -10.335 80 1HD LYS 15 2HD LYS 15 -9.537 -9.730 -8.632 81 2HD LYS 15 3HD LYS 15 -10.581 -8.576 -9.496 82 1HE LYS 15 2HE LYS 15 -10.230 -9.840 -11.597 83 2HE LYS 15 3HE LYS 15 -9.084 -10.912 -10.780 84 1HZ LYS 15 1HZ LYS 15 -10.884 -11.671 -9.369 85 2HZ LYS 15 2HZ LYS 15 -11.960 -10.702 -10.156 86 3HZ LYS 15 3HZ LYS 15 -11.227 -11.940 -10.952 87 H LYS 16 H LYS 16 -9.954 -5.118 -6.769 88 HA LYS 16 HA LYS 16 -7.893 -3.898 -5.289 89 1HB LYS 16 2HB LYS 16 -9.636 -3.248 -3.710 90 2HB LYS 16 3HB LYS 16 -10.048 -2.973 -5.381 91 1HG LYS 16 2HG LYS 16 -12.043 -3.739 -4.728 92 2HG LYS 16 3HG LYS 16 -11.356 -5.300 -5.115 93 1HD LYS 16 2HD LYS 16 -11.580 -6.009 -3.003 94 2HD LYS 16 3HD LYS 16 -10.722 -4.633 -2.332 95 1HE LYS 16 2HE LYS 16 -13.670 -4.626 -3.092 96 2HE LYS 16 3HE LYS 16 -13.038 -4.899 -1.461 97 1HZ LYS 16 1HZ LYS 16 -12.050 -2.706 -1.529 98 2HZ LYS 16 2HZ LYS 16 -12.648 -2.439 -3.039 99 3HZ LYS 16 3HZ LYS 16 -13.677 -2.612 -1.767 100 H CYS 17 H CYS 17 -6.329 -5.586 -4.918 101 HA CYS 17 HA CYS 17 -6.790 -6.971 -2.301 102 1HB CYS 17 2HB CYS 17 -5.167 -7.775 -4.725 103 2HB CYS 17 3HB CYS 17 -5.115 -8.604 -3.189 104 H SER 18 H SER 18 -5.384 -4.248 -3.307 105 HA SER 18 HA SER 18 -3.783 -3.980 -1.030 106 1HB SER 18 2HB SER 18 -2.135 -5.180 -2.634 107 2HB SER 18 3HB SER 18 -2.114 -3.564 -3.416 108 HG SER 18 HG SER 18 -0.529 -3.966 -1.670 109 H LEU 19 H LEU 19 -2.536 -1.802 -1.486 110 HA LEU 19 HA LEU 19 -3.464 -0.182 -3.543 111 1HB LEU 19 2HB LEU 19 -5.163 0.016 -1.376 112 2HB LEU 19 3HB LEU 19 -3.966 1.163 -0.851 113 HG LEU 19 HG LEU 19 -6.025 2.048 -1.936 114 H CYS 20 H CYS 20 -2.268 2.233 -2.783 115 HA CYS 20 HA CYS 20 0.140 1.738 -1.310 116 1HB CYS 20 2HB CYS 20 0.475 0.650 -3.581 117 2HB CYS 20 3HB CYS 20 0.362 2.252 -4.305 118 H ARG 21 H ARG 21 1.503 3.863 -1.573 119 HA ARG 21 HA ARG 21 -0.045 6.266 -1.927 120 1HB ARG 21 2HB ARG 21 0.305 5.023 0.848 121 2HB ARG 21 3HB ARG 21 0.279 6.774 0.660 122 1HG ARG 21 2HG ARG 21 -1.931 6.706 -0.373 123 2HG ARG 21 3HG ARG 21 -1.991 4.945 -0.226 124 1HD ARG 21 2HD ARG 21 -1.528 6.631 2.238 125 2HD ARG 21 3HD ARG 21 -3.149 6.484 1.577 126 HE ARG 21 HE ARG 21 -1.587 4.438 2.940 127 H CYS 22 H CYS 22 1.294 8.123 -1.360 128 HA CYS 22 HA CYS 22 4.108 7.860 -1.586 129 1HB CYS 22 2HB CYS 22 2.377 10.031 -0.323 130 2HB CYS 22 3HB CYS 22 4.108 10.175 -0.490 131 H TRP 23 H TRP 23 5.825 7.701 -0.073 132 HA TRP 23 HA TRP 23 5.336 8.621 2.540 133 1HB TRP 23 2HB TRP 23 5.664 6.842 3.947 134 2HB TRP 23 3HB TRP 23 4.598 6.139 2.750 135 H HIS 24 H HIS 24 7.458 8.448 3.866 136 HA HIS 24 HA HIS 24 9.412 9.833 2.453 137 1HB HIS 24 2HB HIS 24 8.965 9.844 4.937 138 2HB HIS 24 3HB HIS 24 9.810 8.304 5.062 139 H GLY 25 H GLY 25 9.218 6.298 2.903 140 1HA GLY 25 3HA GLY 25 10.815 4.655 2.483 141 2HA GLY 25 2HA GLY 25 12.003 5.883 2.067 142 H GLN 26 H GLN 26 9.339 6.778 0.308 143 HA GLN 26 HA GLN 26 8.686 6.697 -1.762 144 1HB GLN 26 2HB GLN 26 11.076 6.441 -2.506 145 2HB GLN 26 3HB GLN 26 10.802 4.687 -2.568 146 1HG GLN 26 2HG GLN 26 8.903 5.071 -4.139 147 2HG GLN 26 3HG GLN 26 9.239 6.807 -4.110 148 H LEU 27 H LEU 27 6.896 5.838 -2.198 149 HA LEU 27 HA LEU 27 5.130 4.544 -1.291 150 1HB LEU 27 2HB LEU 27 4.313 3.582 -3.307 151 2HB LEU 27 3HB LEU 27 5.021 5.105 -3.515 152 HG LEU 27 HG LEU 27 7.113 3.257 -4.161 153 H HIS 28 H HIS 28 5.010 3.209 0.324 154 HA HIS 28 HA HIS 28 6.536 0.789 0.538 155 1HB HIS 28 2HB HIS 28 5.528 2.569 2.313 156 2HB HIS 28 3HB HIS 28 4.233 1.396 2.386 157 H CYS 29 H CYS 29 3.676 1.234 -1.104 158 HA CYS 29 HA CYS 29 1.618 0.169 -1.225 159 1HB CYS 29 2HB CYS 29 3.570 -1.759 -2.507 160 2HB CYS 29 3HB CYS 29 1.860 -1.547 -2.874 161 H LEU 30 H LEU 30 0.611 -0.527 0.682 162 HA LEU 30 HA LEU 30 1.039 -3.340 1.377 163 1HB LEU 30 2HB LEU 30 2.446 -2.667 2.947 164 2HB LEU 30 3HB LEU 30 1.922 -0.995 2.861 165 HG LEU 30 HG LEU 30 -0.041 -1.574 4.309 166 HA PRO 31 HA PRO 31 -3.424 -2.866 1.340 167 1HB PRO 31 2HB PRO 31 -4.068 -5.409 2.375 168 2HB PRO 31 3HB PRO 31 -3.767 -5.043 0.677 169 1HG PRO 31 2HG PRO 31 -1.953 -6.312 2.645 170 2HG PRO 31 3HG PRO 31 -2.022 -6.506 0.862 171 1HD PRO 31 2HD PRO 31 -0.112 -5.018 2.254 172 2HD PRO 31 3HD PRO 31 -0.520 -4.783 0.548 173 H GLN 32 H GLN 32 -2.354 -4.796 4.099 174 HA GLN 32 HA GLN 32 -2.407 -4.699 6.317 175 1HB GLN 32 2HB GLN 32 -1.723 -2.264 5.939 176 2HB GLN 32 3HB GLN 32 -3.406 -1.829 6.236 177 1HG GLN 32 2HG GLN 32 -3.292 -2.872 8.473 178 2HG GLN 32 3HG GLN 32 -1.629 -3.395 8.160 179 H THR 33 H THR 33 -5.102 -2.928 5.019 180 HA THR 33 HA THR 33 -7.116 -4.692 6.372 181 HB THR 33 HB THR 33 -7.330 -1.683 5.994 182 H PHE 34 H PHE 34 -5.873 -3.570 3.446 183 HA PHE 34 HA PHE 34 -8.254 -2.811 2.116 184 1HB PHE 34 2HB PHE 34 -5.757 -2.135 1.793 185 2HB PHE 34 3HB PHE 34 -5.662 -3.507 0.723 186 HZ PHE 34 HZ PHE 34 -8.654 0.323 -2.635 187 H LEU 35 H LEU 35 -9.491 -4.646 2.622 188 HA LEU 35 HA LEU 35 -10.730 -6.450 2.199 189 1HB LEU 35 2HB LEU 35 -10.770 -5.914 -0.178 190 2HB LEU 35 3HB LEU 35 -9.290 -6.834 -0.426 191 HG LEU 35 HG LEU 35 -11.101 -8.544 1.042 192 HA PRO 36 HA PRO 36 -7.319 -8.938 3.945 193 1HB PRO 36 2HB PRO 36 -8.413 -9.590 6.357 194 2HB PRO 36 3HB PRO 36 -7.811 -7.943 6.016 195 1HG PRO 36 2HG PRO 36 -10.675 -8.941 5.768 196 2HG PRO 36 3HG PRO 36 -10.084 -7.508 6.673 197 1HD PRO 36 2HD PRO 36 -11.056 -7.314 4.137 198 2HD PRO 36 3HD PRO 36 -9.694 -6.302 4.696 199 H GLY 37 H GLY 37 -8.552 -9.909 1.906 200 1HA GLY 37 3HA GLY 37 -10.138 -11.940 1.515 201 2HA GLY 37 2HA GLY 37 -8.991 -12.767 2.603 202 H CYS 38 H CYS 38 -7.031 -10.632 1.059 203 HA CYS 38 HA CYS 38 -6.088 -12.361 -1.038 204 1HB CYS 38 2HB CYS 38 -8.267 -11.479 -1.949 205 2HB CYS 38 3HB CYS 38 -7.662 -9.846 -1.703 206 H ASP 39 H ASP 39 -4.404 -11.830 0.582 207 HA ASP 39 HA ASP 39 -3.543 -9.187 1.152 208 1HB ASP 39 2HB ASP 39 -3.060 -11.223 2.511 209 2HB ASP 39 3HB ASP 39 -1.930 -11.769 1.265 No H/Q in entry = 209 Start of MODEL 4 1 H LYS 1 H LYS 1 7.206 6.539 -4.787 2 HA LYS 1 HA LYS 1 9.104 7.928 -6.645 3 1HB LYS 1 2HB LYS 1 6.343 6.773 -6.920 4 2HB LYS 1 3HB LYS 1 6.640 8.277 -7.768 5 1HG LYS 1 2HG LYS 1 7.035 6.451 -9.246 6 2HG LYS 1 3HG LYS 1 8.530 7.329 -8.990 7 1HD LYS 1 2HD LYS 1 7.895 4.820 -7.393 8 2HD LYS 1 3HD LYS 1 8.476 4.687 -9.045 9 1HE LYS 1 2HE LYS 1 9.983 6.111 -6.813 10 2HE LYS 1 3HE LYS 1 10.268 4.451 -7.327 11 1HZ LYS 1 2HZ LYS 1 10.586 6.819 -9.054 12 2HZ LYS 1 3HZ LYS 1 11.806 5.987 -8.334 13 3HZ LYS 1 1HZ LYS 1 10.889 5.262 -9.490 14 H GLU 2 H GLU 2 8.597 10.028 -7.366 15 HA GLU 2 HA GLU 2 8.909 12.161 -6.744 16 1HB GLU 2 2HB GLU 2 6.735 13.377 -6.438 17 2HB GLU 2 3HB GLU 2 6.889 12.399 -7.882 18 1HG GLU 2 2HG GLU 2 5.319 10.809 -7.195 19 2HG GLU 2 3HG GLU 2 5.517 11.179 -5.483 20 HE2 GLU 2 2HE GLU 2 2.846 13.259 -7.522 21 H HIS 3 H HIS 3 6.484 12.724 -4.421 22 HA HIS 3 HA HIS 3 8.051 11.636 -2.187 23 1HB HIS 3 2HB HIS 3 7.035 14.498 -2.240 24 2HB HIS 3 3HB HIS 3 7.554 13.637 -0.793 25 H CYS 4 H CYS 4 6.231 10.170 -3.261 26 HA CYS 4 HA CYS 4 3.845 10.528 -1.527 27 1HB CYS 4 2HB CYS 4 3.335 11.075 -3.835 28 2HB CYS 4 3HB CYS 4 3.898 9.505 -4.384 29 H GLY 5 H GLY 5 4.333 7.618 -3.539 30 1HA GLY 5 3HA GLY 5 3.418 5.807 -2.006 31 2HA GLY 5 2HA GLY 5 4.904 6.057 -1.063 32 H SER 6 H SER 6 4.402 3.599 -1.907 33 HA SER 6 HA SER 6 6.224 3.305 -4.286 34 1HB SER 6 2HB SER 6 7.173 1.324 -3.433 35 2HB SER 6 3HB SER 6 7.386 2.657 -2.297 36 HG SER 6 HG SER 6 6.406 1.532 -0.843 37 H ILE 7 H ILE 7 5.088 0.316 -3.561 38 HA ILE 7 HA ILE 7 3.974 0.187 -6.220 39 HB ILE 7 HB ILE 7 3.775 -1.920 -4.044 40 1HD1 ILE 7 2HD ILE 7 6.312 -0.277 -6.378 41 2HD1 ILE 7 3HD ILE 7 7.506 -1.561 -6.125 42 3HD1 ILE 7 1HD ILE 7 6.079 -1.878 -7.123 43 H LEU 8 H LEU 8 1.747 -0.612 -6.806 44 HA LEU 8 HA LEU 8 -0.378 -0.465 -4.775 45 1HB LEU 8 2HB LEU 8 0.033 1.941 -5.578 46 2HB LEU 8 3HB LEU 8 -0.491 1.385 -7.175 47 HG LEU 8 HG LEU 8 -2.603 0.533 -6.059 48 H HIS 9 H HIS 9 -1.881 -1.793 -5.274 49 HA HIS 9 HA HIS 9 -3.177 -3.457 -6.340 50 1HB HIS 9 2HB HIS 9 -3.186 -1.088 -8.153 51 2HB HIS 9 3HB HIS 9 -4.331 -2.436 -8.247 52 H GLY 10 H GLY 10 -0.711 -4.474 -6.598 53 1HA GLY 10 3HA GLY 10 0.731 -5.647 -7.989 54 2HA GLY 10 2HA GLY 10 0.017 -4.865 -9.410 55 H THR 11 H THR 11 -1.676 -6.707 -6.820 56 HA THR 11 HA THR 11 -2.264 -9.049 -8.215 57 HB THR 11 HB THR 11 -4.258 -7.898 -6.292 58 H TRP 12 H TRP 12 -2.878 -8.483 -10.409 59 HA TRP 12 HA TRP 12 -5.010 -6.574 -10.806 60 1HB TRP 12 2HB TRP 12 -2.838 -7.155 -12.241 61 2HB TRP 12 3HB TRP 12 -3.913 -8.295 -13.033 62 H LEU 13 H LEU 13 -6.705 -7.016 -12.460 63 HA LEU 13 HA LEU 13 -8.874 -7.557 -12.532 64 1HB LEU 13 2HB LEU 13 -7.751 -10.209 -12.402 65 2HB LEU 13 3HB LEU 13 -9.073 -10.124 -11.256 66 HG LEU 13 HG LEU 13 -10.520 -9.240 -13.181 67 HA PRO 14 HA PRO 14 -9.954 -6.238 -8.515 68 1HB PRO 14 2HB PRO 14 -12.429 -7.106 -7.794 69 2HB PRO 14 3HB PRO 14 -12.143 -6.022 -9.189 70 1HG PRO 14 2HG PRO 14 -12.503 -9.033 -9.222 71 2HG PRO 14 3HG PRO 14 -13.299 -7.810 -10.262 72 1HD PRO 14 2HD PRO 14 -11.100 -9.223 -11.031 73 2HD PRO 14 3HD PRO 14 -11.364 -7.535 -11.574 74 H LYS 15 H LYS 15 -8.103 -7.399 -7.642 75 HA LYS 15 HA LYS 15 -8.730 -9.701 -5.894 76 1HB LYS 15 2HB LYS 15 -6.120 -8.683 -6.884 77 2HB LYS 15 3HB LYS 15 -6.393 -10.193 -5.993 78 1HG LYS 15 2HG LYS 15 -7.501 -9.599 -8.761 79 2HG LYS 15 3HG LYS 15 -5.995 -10.443 -8.430 80 1HD LYS 15 2HD LYS 15 -7.137 -12.299 -7.416 81 2HD LYS 15 3HD LYS 15 -8.683 -11.436 -7.422 82 1HE LYS 15 2HE LYS 15 -8.442 -13.152 -9.252 83 2HE LYS 15 3HE LYS 15 -8.889 -11.527 -9.774 84 1HZ LYS 15 2HZ LYS 15 -6.161 -12.647 -9.929 85 2HZ LYS 15 3HZ LYS 15 -7.196 -12.460 -11.195 86 3HZ LYS 15 1HZ LYS 15 -6.596 -11.136 -10.424 87 H LYS 16 H LYS 16 -6.718 -9.599 -4.073 88 HA LYS 16 HA LYS 16 -7.053 -7.132 -2.513 89 1HB LYS 16 2HB LYS 16 -5.506 -8.041 -0.952 90 2HB LYS 16 3HB LYS 16 -6.716 -9.250 -1.348 91 1HG LYS 16 2HG LYS 16 -4.884 -10.201 -2.992 92 2HG LYS 16 3HG LYS 16 -3.770 -9.205 -2.037 93 1HD LYS 16 2HD LYS 16 -4.795 -10.382 0.045 94 2HD LYS 16 3HD LYS 16 -5.488 -11.520 -1.121 95 1HE LYS 16 2HE LYS 16 -3.480 -12.553 -0.517 96 2HE LYS 16 3HE LYS 16 -3.068 -11.762 -2.048 97 1HZ LYS 16 2HZ LYS 16 -2.528 -10.671 0.657 98 2HZ LYS 16 3HZ LYS 16 -1.397 -11.385 -0.322 99 3HZ LYS 16 1HZ LYS 16 -2.089 -9.928 -0.692 100 H CYS 17 H CYS 17 -6.680 -5.921 -4.685 101 HA CYS 17 HA CYS 17 -4.227 -5.827 -5.962 102 1HB CYS 17 2HB CYS 17 -6.171 -3.546 -5.659 103 2HB CYS 17 3HB CYS 17 -5.153 -3.962 -7.020 104 H SER 18 H SER 18 -2.467 -5.463 -4.913 105 HA SER 18 HA SER 18 -1.791 -5.068 -2.596 106 1HB SER 18 2HB SER 18 -0.567 -3.512 -4.952 107 2HB SER 18 3HB SER 18 0.374 -4.061 -3.603 108 HG SER 18 HG SER 18 -0.070 -6.215 -4.322 109 H LEU 19 H LEU 19 -1.686 -3.481 -0.865 110 HA LEU 19 HA LEU 19 -3.319 -1.144 -1.466 111 1HB LEU 19 2HB LEU 19 -3.841 -2.602 0.495 112 2HB LEU 19 3HB LEU 19 -2.274 -2.199 1.196 113 HG LEU 19 HG LEU 19 -3.115 0.324 0.987 114 H CYS 20 H CYS 20 -0.279 -1.582 0.410 115 HA CYS 20 HA CYS 20 1.455 -0.164 0.888 116 1HB CYS 20 2HB CYS 20 1.579 -0.217 -1.588 117 2HB CYS 20 3HB CYS 20 0.572 1.211 -1.700 118 H ARG 21 H ARG 21 1.978 2.322 0.833 119 HA ARG 21 HA ARG 21 -0.207 4.047 1.759 120 1HB ARG 21 2HB ARG 21 1.877 2.919 3.624 121 2HB ARG 21 3HB ARG 21 1.461 4.634 3.786 122 1HG ARG 21 2HG ARG 21 -0.880 4.137 4.082 123 2HG ARG 21 3HG ARG 21 -0.611 2.406 3.843 124 1HD ARG 21 2HD ARG 21 0.776 3.964 6.046 125 2HD ARG 21 3HD ARG 21 -0.829 3.241 6.261 126 HE ARG 21 HE ARG 21 0.475 1.124 5.340 127 H CYS 22 H CYS 22 0.164 5.774 0.522 128 HA CYS 22 HA CYS 22 2.869 6.663 -0.187 129 1HB CYS 22 2HB CYS 22 1.269 7.039 -1.899 130 2HB CYS 22 3HB CYS 22 0.019 7.521 -0.764 131 H TRP 23 H TRP 23 3.839 8.475 0.801 132 HA TRP 23 HA TRP 23 2.385 10.010 2.817 133 1HB TRP 23 2HB TRP 23 3.200 7.961 4.033 134 2HB TRP 23 3HB TRP 23 4.846 8.445 3.681 135 H HIS 24 H HIS 24 5.749 9.329 1.802 136 HA HIS 24 HA HIS 24 6.088 12.094 0.893 137 1HB HIS 24 2HB HIS 24 6.421 11.860 3.533 138 2HB HIS 24 3HB HIS 24 8.023 11.300 3.058 139 H GLY 25 H GLY 25 6.476 9.278 -0.184 140 1HA GLY 25 3HA GLY 25 9.148 9.681 -1.415 141 2HA GLY 25 2HA GLY 25 7.879 8.558 -1.933 142 H GLN 26 H GLN 26 7.230 7.159 0.352 143 HA GLN 26 HA GLN 26 9.642 5.737 1.196 144 1HB GLN 26 2HB GLN 26 9.194 6.170 3.576 145 2HB GLN 26 3HB GLN 26 9.567 7.665 2.727 146 1HG GLN 26 2HG GLN 26 7.170 8.242 2.629 147 2HG GLN 26 3HG GLN 26 6.742 6.734 3.433 148 H LEU 27 H LEU 27 8.959 4.165 2.797 149 HA LEU 27 HA LEU 27 7.824 2.455 3.693 150 1HB LEU 27 2HB LEU 27 5.331 3.626 2.431 151 2HB LEU 27 3HB LEU 27 5.333 2.169 3.391 152 HG LEU 27 HG LEU 27 6.532 4.724 4.521 153 H HIS 28 H HIS 28 8.364 0.548 3.088 154 HA HIS 28 HA HIS 28 8.603 -0.270 0.362 155 1HB HIS 28 2HB HIS 28 9.944 -1.067 2.382 156 2HB HIS 28 3HB HIS 28 8.566 -2.074 2.819 157 H CYS 29 H CYS 29 5.873 -0.315 2.537 158 HA CYS 29 HA CYS 29 3.614 -0.844 2.157 159 1HB CYS 29 2HB CYS 29 4.653 -0.903 -0.658 160 2HB CYS 29 3HB CYS 29 2.982 -1.111 -0.172 161 H LEU 30 H LEU 30 2.138 -2.620 1.861 162 HA LEU 30 HA LEU 30 3.349 -5.261 1.708 163 1HB LEU 30 2HB LEU 30 2.716 -5.988 3.824 164 2HB LEU 30 3HB LEU 30 3.772 -4.604 3.957 165 HG LEU 30 HG LEU 30 0.799 -4.724 4.581 166 HA PRO 31 HA PRO 31 -0.827 -5.488 -0.099 167 1HB PRO 31 2HB PRO 31 -0.310 -7.167 -2.126 168 2HB PRO 31 3HB PRO 31 0.495 -5.568 -2.058 169 1HG PRO 31 2HG PRO 31 1.640 -8.209 -1.128 170 2HG PRO 31 3HG PRO 31 2.361 -7.022 -2.274 171 1HD PRO 31 2HD PRO 31 2.878 -7.049 0.452 172 2HD PRO 31 3HD PRO 31 2.928 -5.558 -0.543 173 H GLN 32 H GLN 32 0.323 -7.162 2.242 174 HA GLN 32 HA GLN 32 -0.316 -9.915 1.891 175 1HB GLN 32 2HB GLN 32 1.398 -9.077 3.415 176 2HB GLN 32 3HB GLN 32 0.208 -8.162 4.315 177 1HG GLN 32 2HG GLN 32 -0.753 -10.846 4.380 178 2HG GLN 32 3HG GLN 32 0.993 -10.992 4.524 179 H THR 33 H THR 33 -1.797 -8.118 4.574 180 HA THR 33 HA THR 33 -4.530 -8.723 3.544 181 HB THR 33 HB THR 33 -3.557 -9.044 6.403 182 H PHE 34 H PHE 34 -2.551 -6.206 4.232 183 HA PHE 34 HA PHE 34 -3.478 -4.946 6.454 184 1HB PHE 34 2HB PHE 34 -1.450 -4.515 4.850 185 2HB PHE 34 3HB PHE 34 -2.485 -3.314 4.108 186 HZ PHE 34 HZ PHE 34 -0.774 -0.438 8.955 187 H LEU 35 H LEU 35 -4.798 -4.438 3.171 188 HA LEU 35 HA LEU 35 -7.364 -4.140 4.295 189 1HB LEU 35 2HB LEU 35 -6.797 -1.794 4.590 190 2HB LEU 35 3HB LEU 35 -6.278 -1.672 2.917 191 HG LEU 35 HG LEU 35 -8.579 -2.033 2.125 192 HA PRO 36 HA PRO 36 -7.378 -5.988 0.041 193 1HB PRO 36 2HB PRO 36 -9.525 -7.617 0.346 194 2HB PRO 36 3HB PRO 36 -7.916 -8.017 1.019 195 1HG PRO 36 2HG PRO 36 -10.266 -6.739 2.453 196 2HG PRO 36 3HG PRO 36 -9.279 -8.140 2.981 197 1HD PRO 36 2HD PRO 36 -8.808 -5.608 3.860 198 2HD PRO 36 3HD PRO 36 -7.468 -6.755 3.574 199 H GLY 37 H GLY 37 -9.208 -6.062 -1.618 200 1HA GLY 37 3HA GLY 37 -11.391 -4.129 -1.070 201 2HA GLY 37 2HA GLY 37 -11.411 -5.518 -2.185 202 H CYS 38 H CYS 38 -8.580 -4.123 -2.863 203 HA CYS 38 HA CYS 38 -7.862 -3.167 -4.713 204 1HB CYS 38 2HB CYS 38 -9.607 -4.926 -5.525 205 2HB CYS 38 3HB CYS 38 -10.528 -3.514 -6.028 206 H ASP 39 H ASP 39 -9.460 -1.428 -2.836 207 HA ASP 39 HA ASP 39 -11.061 0.466 -3.812 208 1HB ASP 39 2HB ASP 39 -10.435 0.388 -1.471 209 2HB ASP 39 3HB ASP 39 -8.790 0.936 -1.849 No H/Q in entry = 209 Start of MODEL 5 1 H LYS 1 H LYS 1 4.799 16.218 -5.145 2 HA LYS 1 HA LYS 1 5.058 14.979 -2.588 3 1HB LYS 1 2HB LYS 1 2.655 14.706 -2.647 4 2HB LYS 1 3HB LYS 1 3.114 16.286 -3.228 5 1HG LYS 1 2HG LYS 1 1.479 15.763 -4.740 6 2HG LYS 1 3HG LYS 1 2.905 15.276 -5.630 7 1HD LYS 1 2HD LYS 1 1.195 13.617 -5.950 8 2HD LYS 1 3HD LYS 1 2.461 12.890 -4.989 9 1HE LYS 1 2HE LYS 1 0.361 12.199 -4.064 10 2HE LYS 1 3HE LYS 1 1.099 13.316 -2.917 11 1HZ LYS 1 1HZ LYS 1 -0.345 15.052 -3.804 12 2HZ LYS 1 2HZ LYS 1 -1.032 13.988 -4.852 13 3HZ LYS 1 3HZ LYS 1 -1.233 13.792 -3.233 14 H GLU 2 H GLU 2 6.063 13.685 -5.231 15 HA GLU 2 HA GLU 2 5.111 10.919 -5.040 16 1HB GLU 2 2HB GLU 2 5.795 11.924 -7.216 17 2HB GLU 2 3HB GLU 2 7.426 12.132 -6.607 18 1HG GLU 2 2HG GLU 2 7.244 9.499 -6.161 19 2HG GLU 2 3HG GLU 2 5.968 9.596 -7.361 20 HE2 GLU 2 2HE GLU 2 8.271 10.074 -9.952 21 H HIS 3 H HIS 3 8.545 11.783 -5.103 22 HA HIS 3 HA HIS 3 10.351 10.931 -4.054 23 1HB HIS 3 2HB HIS 3 9.718 11.865 -2.014 24 2HB HIS 3 3HB HIS 3 8.638 10.478 -1.752 25 H CYS 4 H CYS 4 10.489 9.235 -5.637 26 HA CYS 4 HA CYS 4 10.918 7.154 -6.224 27 1HB CYS 4 2HB CYS 4 12.107 6.230 -4.694 28 2HB CYS 4 3HB CYS 4 11.401 7.230 -3.466 29 H GLY 5 H GLY 5 9.877 4.605 -5.880 30 1HA GLY 5 3HA GLY 5 7.566 4.428 -7.316 31 2HA GLY 5 2HA GLY 5 6.996 4.664 -5.658 32 H SER 6 H SER 6 6.483 2.530 -4.713 33 HA SER 6 HA SER 6 7.989 0.279 -5.799 34 1HB SER 6 2HB SER 6 7.041 0.716 -2.922 35 2HB SER 6 3HB SER 6 7.750 -0.774 -3.578 36 HG SER 6 HG SER 6 9.303 0.497 -2.488 37 H ILE 7 H ILE 7 6.437 -1.183 -6.514 38 HA ILE 7 HA ILE 7 3.552 -0.584 -6.005 39 HB ILE 7 HB ILE 7 4.867 -1.199 -8.647 40 1HD1 ILE 7 3HD ILE 7 5.112 2.271 -9.547 41 2HD1 ILE 7 2HD ILE 7 4.748 0.729 -10.354 42 3HD1 ILE 7 1HD ILE 7 6.098 0.837 -9.199 43 H LEU 8 H LEU 8 2.173 -2.434 -6.521 44 HA LEU 8 HA LEU 8 3.371 -5.106 -6.332 45 1HB LEU 8 2HB LEU 8 1.514 -3.951 -4.258 46 2HB LEU 8 3HB LEU 8 1.469 -5.680 -4.614 47 HG LEU 8 HG LEU 8 3.957 -4.243 -3.707 48 H HIS 9 H HIS 9 -0.001 -4.708 -5.655 49 HA HIS 9 HA HIS 9 -0.791 -5.487 -8.431 50 1HB HIS 9 2HB HIS 9 -1.100 -7.047 -5.867 51 2HB HIS 9 3HB HIS 9 -1.771 -7.543 -7.428 52 H GLY 10 H GLY 10 -1.609 -3.653 -5.685 53 1HA GLY 10 3HA GLY 10 -3.536 -2.665 -4.961 54 2HA GLY 10 2HA GLY 10 -4.468 -3.853 -5.865 55 H THR 11 H THR 11 -3.962 -3.569 -8.375 56 HA THR 11 HA THR 11 -3.673 -1.134 -9.617 57 HB THR 11 HB THR 11 -5.343 -3.515 -10.528 58 H TRP 12 H TRP 12 -5.155 -0.041 -7.772 59 HA TRP 12 HA TRP 12 -7.040 1.207 -7.335 60 1HB TRP 12 2HB TRP 12 -8.145 1.950 -9.757 61 2HB TRP 12 3HB TRP 12 -6.876 2.745 -8.878 62 H LEU 13 H LEU 13 -9.483 1.331 -8.699 63 HA LEU 13 HA LEU 13 -11.309 -0.357 -7.533 64 1HB LEU 13 2HB LEU 13 -11.252 0.880 -10.238 65 2HB LEU 13 3HB LEU 13 -12.506 -0.289 -9.850 66 HG LEU 13 HG LEU 13 -13.215 2.019 -9.553 67 HA PRO 14 HA PRO 14 -10.477 -4.199 -10.160 68 1HB PRO 14 2HB PRO 14 -9.062 -4.180 -12.500 69 2HB PRO 14 3HB PRO 14 -10.698 -3.484 -12.380 70 1HG PRO 14 2HG PRO 14 -8.050 -2.013 -12.168 71 2HG PRO 14 3HG PRO 14 -9.446 -1.622 -13.218 72 1HD PRO 14 2HD PRO 14 -9.119 -0.435 -10.740 73 2HD PRO 14 3HD PRO 14 -10.734 -0.838 -11.398 74 H LYS 15 H LYS 15 -8.562 -3.030 -8.215 75 HA LYS 15 HA LYS 15 -6.073 -4.125 -8.173 76 1HB LYS 15 2HB LYS 15 -6.474 -4.687 -5.755 77 2HB LYS 15 3HB LYS 15 -6.953 -3.064 -6.231 78 1HG LYS 15 2HG LYS 15 -9.323 -4.514 -6.599 79 2HG LYS 15 3HG LYS 15 -8.591 -5.365 -5.253 80 1HD LYS 15 2HD LYS 15 -8.578 -3.370 -3.895 81 2HD LYS 15 3HD LYS 15 -8.918 -2.337 -5.302 82 1HE LYS 15 2HE LYS 15 -11.081 -3.542 -5.639 83 2HE LYS 15 3HE LYS 15 -10.800 -4.411 -4.117 84 1HZ LYS 15 1HZ LYS 15 -10.771 -2.255 -3.004 85 2HZ LYS 15 2HZ LYS 15 -11.048 -1.486 -4.436 86 3HZ LYS 15 3HZ LYS 15 -12.194 -2.481 -3.804 87 H LYS 16 H LYS 16 -5.000 -6.000 -7.918 88 HA LYS 16 HA LYS 16 -6.534 -8.491 -8.415 89 1HB LYS 16 2HB LYS 16 -5.029 -7.841 -10.198 90 2HB LYS 16 3HB LYS 16 -3.658 -7.747 -9.086 91 1HG LYS 16 2HG LYS 16 -3.679 -10.113 -8.689 92 2HG LYS 16 3HG LYS 16 -5.243 -10.322 -9.477 93 1HD LYS 16 2HD LYS 16 -2.729 -9.366 -10.916 94 2HD LYS 16 3HD LYS 16 -3.190 -11.062 -10.807 95 1HE LYS 16 2HE LYS 16 -4.904 -8.874 -12.071 96 2HE LYS 16 3HE LYS 16 -3.849 -9.977 -12.962 97 1HZ LYS 16 1HZ LYS 16 -5.169 -11.815 -12.159 98 2HZ LYS 16 2HZ LYS 16 -6.153 -10.801 -11.316 99 3HZ LYS 16 3HZ LYS 16 -6.121 -10.739 -12.958 100 H CYS 17 H CYS 17 -3.907 -7.129 -6.322 101 HA CYS 17 HA CYS 17 -4.689 -9.223 -4.380 102 1HB CYS 17 2HB CYS 17 -2.867 -10.246 -5.557 103 2HB CYS 17 3HB CYS 17 -1.838 -8.867 -5.280 104 H SER 18 H SER 18 -2.069 -6.629 -4.375 105 HA SER 18 HA SER 18 -3.596 -5.153 -2.397 106 1HB SER 18 2HB SER 18 -2.578 -6.864 -0.999 107 2HB SER 18 3HB SER 18 -0.977 -6.529 -1.736 108 HG SER 18 HG SER 18 -1.087 -5.497 0.202 109 H LEU 19 H LEU 19 -2.709 -3.125 -1.931 110 HA LEU 19 HA LEU 19 -1.426 -1.946 -4.291 111 1HB LEU 19 2HB LEU 19 -3.513 -1.033 -3.420 112 2HB LEU 19 3HB LEU 19 -2.798 -0.712 -1.864 113 HG LEU 19 HG LEU 19 -1.494 0.562 -4.249 114 H CYS 20 H CYS 20 0.306 -0.404 -4.106 115 HA CYS 20 HA CYS 20 1.885 -0.211 -1.740 116 1HB CYS 20 2HB CYS 20 2.598 -2.364 -2.739 117 2HB CYS 20 3HB CYS 20 2.907 -1.572 -4.254 118 H ARG 21 H ARG 21 3.685 1.468 -2.372 119 HA ARG 21 HA ARG 21 3.555 2.947 -4.633 120 1HB ARG 21 2HB ARG 21 2.650 5.056 -3.980 121 2HB ARG 21 3HB ARG 21 1.396 3.848 -3.754 122 1HG ARG 21 2HG ARG 21 1.972 3.851 -1.261 123 2HG ARG 21 3HG ARG 21 3.077 5.194 -1.592 124 1HD ARG 21 2HD ARG 21 1.098 6.273 -0.924 125 2HD ARG 21 3HD ARG 21 1.076 6.393 -2.686 126 HE ARG 21 HE ARG 21 -0.246 4.008 -1.852 127 H CYS 22 H CYS 22 4.939 5.116 -3.887 128 HA CYS 22 HA CYS 22 6.434 4.546 -1.439 129 1HB CYS 22 2HB CYS 22 7.866 4.228 -3.516 130 2HB CYS 22 3HB CYS 22 7.628 5.966 -3.775 131 H TRP 23 H TRP 23 6.872 6.681 -0.398 132 HA TRP 23 HA TRP 23 5.442 8.943 -1.569 133 1HB TRP 23 2HB TRP 23 3.957 7.477 0.072 134 2HB TRP 23 3HB TRP 23 4.863 8.315 1.318 135 H HIS 24 H HIS 24 5.772 10.904 0.022 136 HA HIS 24 HA HIS 24 8.636 11.355 -0.001 137 1HB HIS 24 2HB HIS 24 6.612 12.862 -0.724 138 2HB HIS 24 3HB HIS 24 6.602 13.363 0.960 139 H GLY 25 H GLY 25 8.386 9.423 1.819 140 1HA GLY 25 3HA GLY 25 8.977 10.742 4.440 141 2HA GLY 25 2HA GLY 25 9.657 9.219 3.870 142 H GLN 26 H GLN 26 6.786 8.314 2.911 143 HA GLN 26 HA GLN 26 5.800 7.495 5.549 144 1HB GLN 26 2HB GLN 26 4.165 9.032 3.482 145 2HB GLN 26 3HB GLN 26 3.463 8.135 4.829 146 1HG GLN 26 2HG GLN 26 4.676 9.600 6.435 147 2HG GLN 26 3HG GLN 26 5.310 10.540 5.076 148 H LEU 27 H LEU 27 4.209 5.896 5.369 149 HA LEU 27 HA LEU 27 3.158 4.054 4.738 150 1HB LEU 27 2HB LEU 27 2.924 5.722 2.545 151 2HB LEU 27 3HB LEU 27 3.523 4.265 1.799 152 HG LEU 27 HG LEU 27 1.147 4.206 3.722 153 H HIS 28 H HIS 28 3.434 1.861 4.032 154 HA HIS 28 HA HIS 28 6.146 1.033 3.175 155 1HB HIS 28 2HB HIS 28 4.720 0.088 5.695 156 2HB HIS 28 3HB HIS 28 6.119 -0.711 4.995 157 H CYS 29 H CYS 29 3.413 1.094 1.964 158 HA CYS 29 HA CYS 29 2.264 0.000 0.424 159 1HB CYS 29 2HB CYS 29 4.384 -2.151 0.678 160 2HB CYS 29 3HB CYS 29 3.089 -2.122 -0.512 161 H LEU 30 H LEU 30 0.258 -0.657 0.683 162 HA LEU 30 HA LEU 30 -0.472 -3.050 1.995 163 1HB LEU 30 2HB LEU 30 -1.525 -2.198 3.968 164 2HB LEU 30 3HB LEU 30 0.109 -1.606 3.939 165 HG LEU 30 HG LEU 30 -1.129 0.535 2.771 166 HA PRO 31 HA PRO 31 -3.887 -2.215 -0.799 167 1HB PRO 31 2HB PRO 31 -5.902 -3.740 0.173 168 2HB PRO 31 3HB PRO 31 -4.411 -4.420 -0.521 169 1HG PRO 31 2HG PRO 31 -5.167 -4.170 2.363 170 2HG PRO 31 3HG PRO 31 -4.281 -5.488 1.544 171 1HD PRO 31 2HD PRO 31 -3.135 -3.401 3.028 172 2HD PRO 31 3HD PRO 31 -2.263 -4.397 1.845 173 H GLN 32 H GLN 32 -5.484 -2.334 2.388 174 HA GLN 32 HA GLN 32 -5.840 0.428 2.684 175 1HB GLN 32 2HB GLN 32 -7.568 0.309 0.958 176 2HB GLN 32 3HB GLN 32 -8.339 -1.065 1.756 177 1HG GLN 32 2HG GLN 32 -9.578 1.018 2.128 178 2HG GLN 32 3HG GLN 32 -9.004 0.361 3.652 179 H THR 33 H THR 33 -7.625 -2.628 3.356 180 HA THR 33 HA THR 33 -7.427 -2.067 6.270 181 HB THR 33 HB THR 33 -9.625 -1.895 5.020 182 H PHE 34 H PHE 34 -6.245 -4.130 3.940 183 HA PHE 34 HA PHE 34 -4.997 -5.959 3.864 184 1HB PHE 34 2HB PHE 34 -3.710 -4.537 5.315 185 2HB PHE 34 3HB PHE 34 -4.495 -5.203 6.736 186 HZ PHE 34 HZ PHE 34 -0.288 -9.225 6.012 187 H LEU 35 H LEU 35 -7.530 -6.274 6.251 188 HA LEU 35 HA LEU 35 -7.471 -8.977 6.767 189 1HB LEU 35 2HB LEU 35 -9.154 -7.207 7.545 190 2HB LEU 35 3HB LEU 35 -10.017 -7.489 6.050 191 HG LEU 35 HG LEU 35 -10.033 -10.011 6.767 192 HA PRO 36 HA PRO 36 -8.990 -10.328 2.469 193 1HB PRO 36 2HB PRO 36 -9.439 -8.635 0.412 194 2HB PRO 36 3HB PRO 36 -10.657 -8.832 1.703 195 1HG PRO 36 2HG PRO 36 -8.546 -6.654 1.462 196 2HG PRO 36 3HG PRO 36 -10.304 -6.460 1.738 197 1HD PRO 36 2HD PRO 36 -8.472 -6.486 3.766 198 2HD PRO 36 3HD PRO 36 -10.131 -7.131 3.958 199 H GLY 37 H GLY 37 -6.761 -10.624 3.259 200 1HA GLY 37 3HA GLY 37 -4.571 -11.139 2.753 201 2HA GLY 37 2HA GLY 37 -4.480 -9.378 2.909 202 H CYS 38 H CYS 38 -6.040 -10.951 0.272 203 HA CYS 38 HA CYS 38 -4.181 -9.749 -1.637 204 1HB CYS 38 2HB CYS 38 -3.149 -11.882 -0.840 205 2HB CYS 38 3HB CYS 38 -4.510 -12.762 -1.518 206 H ASP 39 H ASP 39 -6.985 -9.543 -0.911 207 HA ASP 39 HA ASP 39 -9.108 -9.673 -1.493 208 1HB ASP 39 2HB ASP 39 -9.667 -8.501 -3.520 209 2HB ASP 39 3HB ASP 39 -8.333 -7.755 -2.650 No H/Q in entry = 209 Start of MODEL 6 1 H LYS 1 H LYS 1 15.100 4.402 -0.748 2 HA LYS 1 HA LYS 1 13.676 1.790 -0.511 3 1HB LYS 1 2HB LYS 1 13.397 4.354 1.125 4 2HB LYS 1 3HB LYS 1 12.075 3.219 0.958 5 1HG LYS 1 2HG LYS 1 13.071 2.759 3.009 6 2HG LYS 1 3HG LYS 1 13.439 1.407 1.955 7 1HD LYS 1 2HD LYS 1 15.522 3.561 2.085 8 2HD LYS 1 3HD LYS 1 15.226 2.737 3.603 9 1HE LYS 1 2HE LYS 1 15.830 1.256 1.017 10 2HE LYS 1 3HE LYS 1 17.081 1.773 2.154 11 1HZ LYS 1 2HZ LYS 1 14.861 -0.065 2.779 12 2HZ LYS 1 3HZ LYS 1 16.421 -0.500 2.505 13 3HZ LYS 1 1HZ LYS 1 16.044 0.401 3.829 14 H GLU 2 H GLU 2 11.336 2.030 -1.091 15 HA GLU 2 HA GLU 2 10.997 3.066 -3.665 16 1HB GLU 2 2HB GLU 2 9.778 1.175 -2.749 17 2HB GLU 2 3HB GLU 2 8.952 2.206 -1.588 18 1HG GLU 2 2HG GLU 2 7.795 3.381 -3.453 19 2HG GLU 2 3HG GLU 2 8.653 2.362 -4.620 20 HE2 GLU 2 2HE GLU 2 6.649 -0.442 -3.806 21 H HIS 3 H HIS 3 10.718 4.829 -0.681 22 HA HIS 3 HA HIS 3 9.919 6.907 -0.150 23 1HB HIS 3 2HB HIS 3 10.749 8.734 -1.546 24 2HB HIS 3 3HB HIS 3 11.947 7.548 -1.104 25 H CYS 4 H CYS 4 9.171 8.479 -2.813 26 HA CYS 4 HA CYS 4 6.304 8.326 -2.323 27 1HB CYS 4 2HB CYS 4 8.033 9.948 -4.175 28 2HB CYS 4 3HB CYS 4 6.296 9.844 -4.456 29 H GLY 5 H GLY 5 5.958 6.127 -2.614 30 1HA GLY 5 3HA GLY 5 5.136 4.313 -3.784 31 2HA GLY 5 2HA GLY 5 6.125 4.823 -5.161 32 H SER 6 H SER 6 3.166 6.021 -3.420 33 HA SER 6 HA SER 6 1.023 6.268 -4.150 34 1HB SER 6 2HB SER 6 2.549 7.807 -6.251 35 2HB SER 6 3HB SER 6 0.779 7.820 -6.127 36 HG SER 6 HG SER 6 1.591 9.511 -4.975 37 H ILE 7 H ILE 7 2.483 3.886 -5.308 38 HA ILE 7 HA ILE 7 1.402 3.139 -7.807 39 HB ILE 7 HB ILE 7 1.796 1.326 -5.411 40 1HD1 ILE 7 3HD ILE 7 5.482 1.004 -5.934 41 2HD1 ILE 7 2HD ILE 7 4.351 -0.196 -6.562 42 3HD1 ILE 7 1HD ILE 7 4.121 0.471 -4.924 43 H LEU 8 H LEU 8 -0.477 1.890 -8.333 44 HA LEU 8 HA LEU 8 -2.693 1.869 -6.391 45 1HB LEU 8 2HB LEU 8 -2.684 4.043 -7.790 46 2HB LEU 8 3HB LEU 8 -3.207 3.001 -9.111 47 HG LEU 8 HG LEU 8 -5.123 2.240 -7.641 48 H HIS 9 H HIS 9 -3.645 0.052 -6.403 49 HA HIS 9 HA HIS 9 -4.235 -2.123 -6.780 50 1HB HIS 9 2HB HIS 9 -3.993 -2.297 -9.688 51 2HB HIS 9 3HB HIS 9 -5.350 -2.630 -8.639 52 H GLY 10 H GLY 10 -3.494 -4.084 -7.204 53 1HA GLY 10 3HA GLY 10 -1.036 -4.992 -6.963 54 2HA GLY 10 2HA GLY 10 -0.963 -4.597 -8.683 55 H THR 11 H THR 11 -3.886 -5.389 -9.134 56 HA THR 11 HA THR 11 -3.395 -8.251 -9.406 57 HB THR 11 HB THR 11 -6.068 -8.240 -8.673 58 H TRP 12 H TRP 12 -4.664 -9.244 -10.952 59 HA TRP 12 HA TRP 12 -5.874 -7.579 -13.054 60 1HB TRP 12 2HB TRP 12 -4.246 -9.577 -13.383 61 2HB TRP 12 3HB TRP 12 -5.603 -10.602 -12.942 62 H LEU 13 H LEU 13 -7.854 -9.094 -13.946 63 HA LEU 13 HA LEU 13 -10.109 -9.382 -13.774 64 1HB LEU 13 2HB LEU 13 -9.000 -11.020 -11.800 65 2HB LEU 13 3HB LEU 13 -10.135 -10.089 -10.880 66 HG LEU 13 HG LEU 13 -11.888 -10.837 -12.710 67 HA PRO 14 HA PRO 14 -11.541 -5.547 -11.879 68 1HB PRO 14 2HB PRO 14 -13.608 -5.721 -10.115 69 2HB PRO 14 3HB PRO 14 -13.762 -6.148 -11.841 70 1HG PRO 14 2HG PRO 14 -13.233 -8.023 -9.518 71 2HG PRO 14 3HG PRO 14 -14.495 -8.164 -10.786 72 1HD PRO 14 2HD PRO 14 -12.138 -9.458 -10.942 73 2HD PRO 14 3HD PRO 14 -12.911 -8.803 -12.419 74 H LYS 15 H LYS 15 -9.257 -6.755 -10.660 75 HA LYS 15 HA LYS 15 -7.713 -6.515 -9.102 76 1HB LYS 15 2HB LYS 15 -9.273 -4.120 -8.051 77 2HB LYS 15 3HB LYS 15 -7.585 -4.496 -7.783 78 1HG LYS 15 2HG LYS 15 -7.571 -2.791 -9.332 79 2HG LYS 15 3HG LYS 15 -7.172 -4.226 -10.273 80 1HD LYS 15 2HD LYS 15 -9.333 -4.213 -11.329 81 2HD LYS 15 3HD LYS 15 -9.995 -3.082 -10.122 82 1HE LYS 15 2HE LYS 15 -8.482 -1.321 -10.988 83 2HE LYS 15 3HE LYS 15 -7.832 -2.464 -12.178 84 1HZ LYS 15 2HZ LYS 15 -10.651 -1.591 -12.018 85 2HZ LYS 15 3HZ LYS 15 -9.552 -1.065 -13.125 86 3HZ LYS 15 1HZ LYS 15 -10.034 -2.637 -13.128 87 H LYS 16 H LYS 16 -7.288 -6.403 -6.644 88 HA LYS 16 HA LYS 16 -9.567 -7.489 -5.046 89 1HB LYS 16 2HB LYS 16 -6.793 -8.658 -5.331 90 2HB LYS 16 3HB LYS 16 -7.627 -8.762 -3.801 91 1HG LYS 16 2HG LYS 16 -8.211 -10.764 -4.777 92 2HG LYS 16 3HG LYS 16 -9.612 -9.756 -5.071 93 1HD LYS 16 2HD LYS 16 -8.207 -9.323 -7.410 94 2HD LYS 16 3HD LYS 16 -7.551 -10.878 -6.965 95 1HE LYS 16 2HE LYS 16 -9.444 -11.103 -8.499 96 2HE LYS 16 3HE LYS 16 -9.802 -11.874 -6.946 97 1HZ LYS 16 2HZ LYS 16 -10.662 -9.117 -7.585 98 2HZ LYS 16 3HZ LYS 16 -11.614 -10.448 -7.898 99 3HZ LYS 16 1HZ LYS 16 -11.173 -10.061 -6.359 100 H CYS 17 H CYS 17 -6.536 -5.376 -4.980 101 HA CYS 17 HA CYS 17 -7.891 -3.914 -2.949 102 1HB CYS 17 2HB CYS 17 -5.445 -5.535 -2.262 103 2HB CYS 17 3HB CYS 17 -5.435 -3.843 -1.795 104 H SER 18 H SER 18 -6.554 -1.815 -2.683 105 HA SER 18 HA SER 18 -4.451 -1.262 -4.505 106 1HB SER 18 2HB SER 18 -7.050 0.135 -5.179 107 2HB SER 18 3HB SER 18 -5.472 0.289 -5.969 108 HG SER 18 HG SER 18 -6.279 -2.281 -5.992 109 H LEU 19 H LEU 19 -3.448 -0.183 -2.756 110 HA LEU 19 HA LEU 19 -4.169 2.601 -3.050 111 1HB LEU 19 2HB LEU 19 -5.448 1.984 -0.953 112 2HB LEU 19 3HB LEU 19 -3.969 1.348 -0.252 113 HG LEU 19 HG LEU 19 -3.017 3.642 -0.159 114 H CYS 20 H CYS 20 -2.301 4.045 -2.722 115 HA CYS 20 HA CYS 20 -0.334 3.144 -0.926 116 1HB CYS 20 2HB CYS 20 0.490 2.207 -3.168 117 2HB CYS 20 3HB CYS 20 0.595 3.869 -3.718 118 H ARG 21 H ARG 21 1.224 5.060 -0.595 119 HA ARG 21 HA ARG 21 0.160 7.661 -1.550 120 1HB ARG 21 2HB ARG 21 0.293 6.755 1.340 121 2HB ARG 21 3HB ARG 21 0.590 8.447 0.932 122 1HG ARG 21 2HG ARG 21 -1.562 8.614 -0.222 123 2HG ARG 21 3HG ARG 21 -1.924 6.917 0.166 124 1HD ARG 21 2HD ARG 21 -1.877 7.407 2.564 125 2HD ARG 21 3HD ARG 21 -1.358 9.072 2.240 126 HE ARG 21 HE ARG 21 -3.831 8.399 0.915 127 H CYS 22 H CYS 22 1.849 8.664 -2.474 128 HA CYS 22 HA CYS 22 4.504 8.757 -1.343 129 1HB CYS 22 2HB CYS 22 4.101 9.496 -3.633 130 2HB CYS 22 3HB CYS 22 2.810 10.562 -3.103 131 H TRP 23 H TRP 23 3.932 8.770 0.964 132 HA TRP 23 HA TRP 23 3.438 11.604 1.807 133 1HB TRP 23 2HB TRP 23 2.868 8.986 3.165 134 2HB TRP 23 3HB TRP 23 3.409 10.344 4.138 135 H HIS 24 H HIS 24 5.758 9.244 1.190 136 HA HIS 24 HA HIS 24 7.938 9.193 1.102 137 1HB HIS 24 2HB HIS 24 7.576 11.536 0.241 138 2HB HIS 24 3HB HIS 24 7.926 12.147 1.847 139 H GLY 25 H GLY 25 6.954 10.952 4.063 140 1HA GLY 25 3HA GLY 25 7.729 10.680 6.255 141 2HA GLY 25 2HA GLY 25 9.025 9.612 5.691 142 H GLN 26 H GLN 26 5.979 8.718 4.188 143 HA GLN 26 HA GLN 26 6.091 6.302 5.765 144 1HB GLN 26 2HB GLN 26 4.436 7.636 7.001 145 2HB GLN 26 3HB GLN 26 3.515 7.930 5.518 146 1HG GLN 26 2HG GLN 26 2.830 5.647 5.372 147 2HG GLN 26 3HG GLN 26 4.096 5.114 6.488 148 H LEU 27 H LEU 27 5.169 4.614 4.670 149 HA LEU 27 HA LEU 27 4.024 4.923 2.055 150 1HB LEU 27 2HB LEU 27 6.376 3.159 2.772 151 2HB LEU 27 3HB LEU 27 5.184 2.532 1.641 152 HG LEU 27 HG LEU 27 6.552 5.201 1.159 153 H HIS 28 H HIS 28 4.903 2.105 3.999 154 HA HIS 28 HA HIS 28 3.823 0.199 4.330 155 1HB HIS 28 2HB HIS 28 1.392 1.896 5.020 156 2HB HIS 28 3HB HIS 28 1.394 0.142 4.997 157 H CYS 29 H CYS 29 1.284 2.176 2.836 158 HA CYS 29 HA CYS 29 -0.024 1.913 1.026 159 1HB CYS 29 2HB CYS 29 2.403 0.576 -0.206 160 2HB CYS 29 3HB CYS 29 0.961 1.137 -1.049 161 H LEU 30 H LEU 30 -1.139 0.364 -0.364 162 HA LEU 30 HA LEU 30 -0.979 -2.486 0.296 163 1HB LEU 30 2HB LEU 30 -3.407 -0.806 0.781 164 2HB LEU 30 3HB LEU 30 -3.470 -2.571 0.530 165 HG LEU 30 HG LEU 30 -2.029 -1.232 2.847 166 HA PRO 31 HA PRO 31 -1.900 -1.034 -4.085 167 1HB PRO 31 2HB PRO 31 0.222 -2.256 -5.345 168 2HB PRO 31 3HB PRO 31 0.294 -0.628 -4.605 169 1HG PRO 31 2HG PRO 31 1.223 -3.254 -3.432 170 2HG PRO 31 3HG PRO 31 2.045 -1.658 -3.398 171 1HD PRO 31 2HD PRO 31 0.521 -2.645 -1.279 172 2HD PRO 31 3HD PRO 31 0.655 -0.898 -1.635 173 H GLN 32 H GLN 32 -0.723 -4.143 -2.830 174 HA GLN 32 HA GLN 32 -3.318 -5.252 -3.442 175 1HB GLN 32 2HB GLN 32 -2.043 -6.123 -5.299 176 2HB GLN 32 3HB GLN 32 -0.754 -6.707 -4.250 177 1HG GLN 32 2HG GLN 32 -2.386 -8.435 -5.152 178 2HG GLN 32 3HG GLN 32 -2.123 -8.486 -3.425 179 H THR 33 H THR 33 -0.769 -7.330 -2.207 180 HA THR 33 HA THR 33 -1.901 -6.972 0.522 181 HB THR 33 HB THR 33 -0.735 -9.504 -0.679 182 H PHE 34 H PHE 34 -0.109 -5.181 0.360 183 HA PHE 34 HA PHE 34 2.630 -6.051 0.819 184 1HB PHE 34 2HB PHE 34 1.868 -3.770 0.010 185 2HB PHE 34 3HB PHE 34 1.325 -3.438 1.650 186 HZ PHE 34 HZ PHE 34 7.051 -2.311 2.264 187 H LEU 35 H LEU 35 -0.253 -5.933 2.737 188 HA LEU 35 HA LEU 35 1.180 -7.094 5.003 189 1HB LEU 35 2HB LEU 35 0.546 -4.672 5.542 190 2HB LEU 35 3HB LEU 35 -1.126 -5.107 5.202 191 HG LEU 35 HG LEU 35 -0.907 -6.874 7.069 192 HA PRO 36 HA PRO 36 -2.138 -9.942 3.823 193 1HB PRO 36 2HB PRO 36 -2.072 -11.781 5.842 194 2HB PRO 36 3HB PRO 36 -0.782 -11.628 4.616 195 1HG PRO 36 2HG PRO 36 -0.843 -10.388 7.390 196 2HG PRO 36 3HG PRO 36 0.466 -11.366 6.646 197 1HD PRO 36 2HD PRO 36 0.534 -8.661 6.607 198 2HD PRO 36 3HD PRO 36 1.078 -9.600 5.186 199 H GLY 37 H GLY 37 -3.341 -7.881 4.235 200 1HA GLY 37 3HA GLY 37 -4.701 -6.782 6.070 201 2HA GLY 37 2HA GLY 37 -5.572 -8.341 6.165 202 H CYS 38 H CYS 38 -5.121 -8.465 3.066 203 HA CYS 38 HA CYS 38 -7.185 -6.572 2.205 204 1HB CYS 38 2HB CYS 38 -4.752 -5.583 2.615 205 2HB CYS 38 3HB CYS 38 -4.425 -6.281 1.038 206 H ASP 39 H ASP 39 -7.735 -9.034 2.025 207 HA ASP 39 HA ASP 39 -6.763 -10.503 -0.263 208 1HB ASP 39 2HB ASP 39 -8.621 -11.990 0.164 209 2HB ASP 39 3HB ASP 39 -7.863 -11.568 1.700 No H/Q in entry = 209 Start of MODEL 7 1 H LYS 1 H LYS 1 7.468 17.816 5.887 2 HA LYS 1 HA LYS 1 8.044 15.053 5.869 3 1HB LYS 1 2HB LYS 1 6.008 14.803 7.200 4 2HB LYS 1 3HB LYS 1 7.022 16.116 7.741 5 1HG LYS 1 2HG LYS 1 4.822 16.852 7.983 6 2HG LYS 1 3HG LYS 1 5.462 17.757 6.615 7 1HD LYS 1 2HD LYS 1 4.143 16.451 5.050 8 2HD LYS 1 3HD LYS 1 3.793 15.230 6.280 9 1HE LYS 1 2HE LYS 1 1.819 16.561 5.938 10 2HE LYS 1 3HE LYS 1 2.451 16.840 7.564 11 1HZ LYS 1 2HZ LYS 1 2.819 18.640 5.249 12 2HZ LYS 1 3HZ LYS 1 1.789 18.883 6.505 13 3HZ LYS 1 1HZ LYS 1 3.409 18.905 6.767 14 H GLU 2 H GLU 2 7.522 16.118 3.147 15 HA GLU 2 HA GLU 2 5.034 15.024 2.148 16 1HB GLU 2 2HB GLU 2 6.346 16.958 1.161 17 2HB GLU 2 3HB GLU 2 7.532 15.790 0.578 18 1HG GLU 2 2HG GLU 2 5.657 14.658 -0.713 19 2HG GLU 2 3HG GLU 2 4.566 15.919 -0.143 20 HE2 GLU 2 2HE GLU 2 5.499 17.864 -2.836 21 H HIS 3 H HIS 3 8.431 14.042 1.436 22 HA HIS 3 HA HIS 3 9.404 12.012 0.918 23 1HB HIS 3 2HB HIS 3 6.971 10.422 1.685 24 2HB HIS 3 3HB HIS 3 8.666 9.970 1.721 25 H CYS 4 H CYS 4 8.534 9.914 -0.715 26 HA CYS 4 HA CYS 4 7.614 11.436 -3.070 27 1HB CYS 4 2HB CYS 4 8.318 9.302 -4.264 28 2HB CYS 4 3HB CYS 4 9.566 10.286 -3.535 29 H GLY 5 H GLY 5 6.272 9.639 -4.605 30 1HA GLY 5 3HA GLY 5 3.684 9.277 -3.930 31 2HA GLY 5 2HA GLY 5 4.500 7.955 -3.068 32 H SER 6 H SER 6 4.235 6.020 -4.409 33 HA SER 6 HA SER 6 4.422 6.329 -7.300 34 1HB SER 6 2HB SER 6 5.112 3.876 -7.119 35 2HB SER 6 3HB SER 6 6.324 5.051 -6.577 36 HG SER 6 HG SER 6 5.830 3.158 -5.167 37 H ILE 7 H ILE 7 3.056 4.904 -8.314 38 HA ILE 7 HA ILE 7 0.449 4.396 -6.966 39 HB ILE 7 HB ILE 7 0.914 5.015 -9.888 40 1HD1 ILE 7 1HD ILE 7 -0.971 7.200 -7.345 41 2HD1 ILE 7 2HD ILE 7 0.550 6.776 -6.531 42 3HD1 ILE 7 3HD ILE 7 0.366 8.365 -7.286 43 H LEU 8 H LEU 8 -0.829 2.623 -7.750 44 HA LEU 8 HA LEU 8 0.162 0.511 -9.449 45 1HB LEU 8 2HB LEU 8 1.347 0.463 -7.064 46 2HB LEU 8 3HB LEU 8 -0.175 -0.255 -6.552 47 HG LEU 8 HG LEU 8 0.196 -2.036 -8.313 48 H HIS 9 H HIS 9 -1.394 -1.496 -8.580 49 HA HIS 9 HA HIS 9 -3.985 -1.744 -8.013 50 1HB HIS 9 2HB HIS 9 -5.308 -1.218 -10.009 51 2HB HIS 9 3HB HIS 9 -4.779 0.205 -9.141 52 H GLY 10 H GLY 10 -3.696 -3.793 -7.932 53 1HA GLY 10 3HA GLY 10 -2.098 -5.245 -9.916 54 2HA GLY 10 2HA GLY 10 -3.821 -5.677 -9.906 55 H THR 11 H THR 11 -4.531 -7.092 -8.304 56 HA THR 11 HA THR 11 -2.534 -8.070 -6.378 57 HB THR 11 HB THR 11 -5.431 -7.751 -5.577 58 H TRP 12 H TRP 12 -2.304 -10.143 -7.056 59 HA TRP 12 HA TRP 12 -4.246 -11.356 -8.804 60 1HB TRP 12 2HB TRP 12 -1.559 -11.537 -8.612 61 2HB TRP 12 3HB TRP 12 -1.969 -12.929 -7.625 62 H LEU 13 H LEU 13 -4.627 -13.830 -8.367 63 HA LEU 13 HA LEU 13 -6.274 -15.122 -7.547 64 1HB LEU 13 2HB LEU 13 -4.729 -14.529 -5.170 65 2HB LEU 13 3HB LEU 13 -6.415 -14.403 -4.752 66 HG LEU 13 HG LEU 13 -6.731 -16.735 -5.794 67 HA PRO 14 HA PRO 14 -9.703 -12.244 -7.383 68 1HB PRO 14 2HB PRO 14 -11.724 -13.191 -5.850 69 2HB PRO 14 3HB PRO 14 -11.182 -14.026 -7.333 70 1HG PRO 14 2HG PRO 14 -10.400 -14.649 -4.471 71 2HG PRO 14 3HG PRO 14 -10.968 -15.785 -5.735 72 1HD PRO 14 2HD PRO 14 -8.337 -15.371 -5.156 73 2HD PRO 14 3HD PRO 14 -8.879 -15.764 -6.818 74 H LYS 15 H LYS 15 -7.805 -11.029 -6.185 75 HA LYS 15 HA LYS 15 -8.756 -10.102 -3.536 76 1HB LYS 15 2HB LYS 15 -6.137 -9.932 -4.920 77 2HB LYS 15 3HB LYS 15 -6.631 -8.598 -3.876 78 1HG LYS 15 2HG LYS 15 -5.296 -10.241 -2.628 79 2HG LYS 15 3HG LYS 15 -6.885 -9.960 -1.958 80 1HD LYS 15 2HD LYS 15 -6.617 -12.300 -3.803 81 2HD LYS 15 3HD LYS 15 -5.739 -12.413 -2.289 82 1HE LYS 15 2HE LYS 15 -8.729 -11.842 -2.499 83 2HE LYS 15 3HE LYS 15 -8.020 -13.423 -2.185 84 1HZ LYS 15 2HZ LYS 15 -7.702 -11.065 -0.427 85 2HZ LYS 15 3HZ LYS 15 -8.700 -12.334 -0.146 86 3HZ LYS 15 1HZ LYS 15 -7.075 -12.555 -0.150 87 H LYS 16 H LYS 16 -7.349 -8.736 -6.549 88 HA LYS 16 HA LYS 16 -7.481 -6.866 -7.731 89 1HB LYS 16 2HB LYS 16 -9.649 -7.874 -8.379 90 2HB LYS 16 3HB LYS 16 -10.448 -6.925 -7.118 91 1HG LYS 16 2HG LYS 16 -9.577 -4.816 -8.266 92 2HG LYS 16 3HG LYS 16 -8.910 -5.851 -9.530 93 1HD LYS 16 2HD LYS 16 -10.974 -4.955 -10.326 94 2HD LYS 16 3HD LYS 16 -11.250 -6.676 -10.003 95 1HE LYS 16 2HE LYS 16 -12.306 -6.097 -7.832 96 2HE LYS 16 3HE LYS 16 -11.952 -4.386 -8.101 97 1HZ LYS 16 2HZ LYS 16 -13.735 -6.038 -9.778 98 2HZ LYS 16 3HZ LYS 16 -14.220 -4.927 -8.667 99 3HZ LYS 16 1HZ LYS 16 -13.411 -4.440 -10.012 100 H CYS 17 H CYS 17 -6.142 -5.300 -6.554 101 HA CYS 17 HA CYS 17 -7.431 -3.192 -5.241 102 1HB CYS 17 2HB CYS 17 -7.396 -5.257 -3.564 103 2HB CYS 17 3HB CYS 17 -5.692 -4.908 -3.427 104 H SER 18 H SER 18 -4.853 -2.874 -3.707 105 HA SER 18 HA SER 18 -2.646 -2.522 -3.893 106 1HB SER 18 2HB SER 18 -2.607 -3.116 -6.759 107 2HB SER 18 3HB SER 18 -1.244 -2.759 -5.722 108 HG SER 18 HG SER 18 -1.812 -5.069 -6.140 109 H LEU 19 H LEU 19 -1.596 -0.553 -3.869 110 HA LEU 19 HA LEU 19 -2.400 1.427 -5.862 111 1HB LEU 19 2HB LEU 19 -4.104 1.521 -3.977 112 2HB LEU 19 3HB LEU 19 -2.834 2.066 -2.903 113 HG LEU 19 HG LEU 19 -4.461 3.754 -3.878 114 H CYS 20 H CYS 20 -0.372 0.762 -2.964 115 HA CYS 20 HA CYS 20 1.778 1.199 -2.566 116 1HB CYS 20 2HB CYS 20 2.029 0.602 -5.057 117 2HB CYS 20 3HB CYS 20 2.237 2.338 -5.309 118 H ARG 21 H ARG 21 3.470 3.108 -2.538 119 HA ARG 21 HA ARG 21 2.548 5.795 -2.604 120 1HB ARG 21 2HB ARG 21 2.147 6.230 -0.174 121 2HB ARG 21 3HB ARG 21 0.905 5.292 -0.933 122 1HG ARG 21 2HG ARG 21 1.875 3.188 0.012 123 2HG ARG 21 3HG ARG 21 3.166 4.123 0.752 124 1HD ARG 21 2HD ARG 21 1.560 3.748 2.464 125 2HD ARG 21 3HD ARG 21 1.410 5.445 2.027 126 HE ARG 21 HE ARG 21 -0.450 3.215 1.468 127 H CYS 22 H CYS 22 5.047 4.702 -3.275 128 HA CYS 22 HA CYS 22 7.216 4.489 -2.369 129 1HB CYS 22 2HB CYS 22 6.935 5.774 -4.394 130 2HB CYS 22 3HB CYS 22 6.751 7.238 -3.447 131 H TRP 23 H TRP 23 7.982 4.443 -0.224 132 HA TRP 23 HA TRP 23 7.449 6.731 1.570 133 1HB TRP 23 2HB TRP 23 8.661 3.976 1.921 134 2HB TRP 23 3HB TRP 23 9.042 5.226 3.057 135 H HIS 24 H HIS 24 9.221 7.565 2.737 136 HA HIS 24 HA HIS 24 11.389 8.811 1.521 137 1HB HIS 24 2HB HIS 24 12.284 8.419 4.068 138 2HB HIS 24 3HB HIS 24 11.133 9.641 3.595 139 H GLY 25 H GLY 25 12.537 7.426 0.086 140 1HA GLY 25 3HA GLY 25 14.669 5.880 1.290 141 2HA GLY 25 2HA GLY 25 14.451 6.265 -0.414 142 H GLN 26 H GLN 26 11.500 4.838 0.144 143 HA GLN 26 HA GLN 26 12.495 2.148 -0.559 144 1HB GLN 26 2HB GLN 26 10.797 2.798 1.895 145 2HB GLN 26 3HB GLN 26 10.852 1.191 1.154 146 1HG GLN 26 2HG GLN 26 13.194 0.947 1.627 147 2HG GLN 26 3HG GLN 26 13.298 2.608 2.235 148 H LEU 27 H LEU 27 11.081 1.142 -2.007 149 HA LEU 27 HA LEU 27 9.037 2.735 -3.046 150 1HB LEU 27 2HB LEU 27 8.542 1.107 -4.602 151 2HB LEU 27 3HB LEU 27 10.259 1.046 -4.323 152 HG LEU 27 HG LEU 27 9.593 -1.133 -4.667 153 H HIS 28 H HIS 28 8.965 0.420 -0.553 154 HA HIS 28 HA HIS 28 7.263 -0.514 0.763 155 1HB HIS 28 2HB HIS 28 8.617 1.430 1.685 156 2HB HIS 28 3HB HIS 28 7.207 2.439 1.363 157 H CYS 29 H CYS 29 5.791 -0.796 -1.344 158 HA CYS 29 HA CYS 29 3.502 0.869 -1.529 159 1HB CYS 29 2HB CYS 29 3.818 -2.105 -2.170 160 2HB CYS 29 3HB CYS 29 2.457 -1.114 -2.663 161 H LEU 30 H LEU 30 1.237 0.213 -1.022 162 HA LEU 30 HA LEU 30 0.930 -2.071 0.592 163 1HB LEU 30 2HB LEU 30 -0.182 -1.235 2.427 164 2HB LEU 30 3HB LEU 30 1.231 -0.213 2.239 165 HG LEU 30 HG LEU 30 -0.302 1.520 1.141 166 HA PRO 31 HA PRO 31 -2.505 -1.678 -2.168 167 1HB PRO 31 2HB PRO 31 -3.708 -4.104 -1.924 168 2HB PRO 31 3HB PRO 31 -1.995 -3.957 -2.431 169 1HG PRO 31 2HG PRO 31 -3.064 -4.600 0.299 170 2HG PRO 31 3HG PRO 31 -1.696 -5.340 -0.608 171 1HD PRO 31 2HD PRO 31 -1.440 -3.335 1.346 172 2HD PRO 31 3HD PRO 31 -0.253 -3.706 0.060 173 H GLN 32 H GLN 32 -3.712 -2.756 0.995 174 HA GLN 32 HA GLN 32 -5.522 -2.004 2.226 175 1HB GLN 32 2HB GLN 32 -6.866 -1.070 -0.348 176 2HB GLN 32 3HB GLN 32 -7.655 -1.183 1.186 177 1HG GLN 32 2HG GLN 32 -5.273 0.600 0.639 178 2HG GLN 32 3HG GLN 32 -6.958 1.101 0.754 179 H THR 33 H THR 33 -4.998 -4.457 0.012 180 HA THR 33 HA THR 33 -7.360 -5.962 0.698 181 HB THR 33 HB THR 33 -4.554 -6.963 0.101 182 H PHE 34 H PHE 34 -4.090 -6.717 1.905 183 HA PHE 34 HA PHE 34 -3.321 -7.568 3.771 184 1HB PHE 34 2HB PHE 34 -3.417 -5.528 4.810 185 2HB PHE 34 3HB PHE 34 -5.152 -5.494 4.918 186 HZ PHE 34 HZ PHE 34 -4.104 -8.113 10.062 187 H LEU 35 H LEU 35 -6.902 -7.612 4.050 188 HA LEU 35 HA LEU 35 -6.777 -10.557 4.358 189 1HB LEU 35 2HB LEU 35 -8.075 -8.667 6.324 190 2HB LEU 35 3HB LEU 35 -8.683 -10.308 6.115 191 HG LEU 35 HG LEU 35 -5.807 -9.627 6.878 192 HA PRO 36 HA PRO 36 -11.126 -9.531 2.390 193 1HB PRO 36 2HB PRO 36 -11.973 -6.998 2.200 194 2HB PRO 36 3HB PRO 36 -12.223 -7.930 3.710 195 1HG PRO 36 2HG PRO 36 -10.036 -5.924 3.094 196 2HG PRO 36 3HG PRO 36 -11.060 -6.034 4.565 197 1HD PRO 36 2HD PRO 36 -8.541 -7.091 4.385 198 2HD PRO 36 3HD PRO 36 -9.814 -7.837 5.391 199 H GLY 37 H GLY 37 -11.381 -9.200 0.180 200 1HA GLY 37 3HA GLY 37 -10.775 -8.586 -1.972 201 2HA GLY 37 2HA GLY 37 -9.188 -9.177 -1.448 202 H CYS 38 H CYS 38 -10.752 -6.359 -0.087 203 HA CYS 38 HA CYS 38 -8.766 -4.513 -0.633 204 1HB CYS 38 2HB CYS 38 -9.532 -5.033 -3.070 205 2HB CYS 38 3HB CYS 38 -10.964 -4.114 -2.693 206 H ASP 39 H ASP 39 -9.451 -4.100 1.457 207 HA ASP 39 HA ASP 39 -11.259 -1.856 1.534 208 1HB ASP 39 2HB ASP 39 -12.974 -3.513 1.977 209 2HB ASP 39 3HB ASP 39 -12.010 -4.252 3.256 No H/Q in entry = 209 Start of MODEL 8 1 H LYS 1 H LYS 1 14.004 15.688 -2.593 2 HA LYS 1 HA LYS 1 12.650 15.131 -0.076 3 1HB LYS 1 2HB LYS 1 11.594 17.290 0.195 4 2HB LYS 1 3HB LYS 1 13.322 17.386 0.406 5 1HG LYS 1 2HG LYS 1 12.026 18.163 -2.242 6 2HG LYS 1 3HG LYS 1 12.054 19.253 -0.857 7 1HD LYS 1 2HD LYS 1 14.588 19.013 -0.787 8 2HD LYS 1 3HD LYS 1 14.476 18.122 -2.308 9 1HE LYS 1 2HE LYS 1 15.014 20.373 -2.864 10 2HE LYS 1 3HE LYS 1 13.339 20.093 -3.355 11 1HZ LYS 1 2HZ LYS 1 14.206 21.481 -0.891 12 2HZ LYS 1 3HZ LYS 1 13.608 22.205 -2.240 13 3HZ LYS 1 1HZ LYS 1 12.641 21.229 -1.336 14 H GLU 2 H GLU 2 12.649 14.141 -2.864 15 HA GLU 2 HA GLU 2 10.132 14.761 -4.093 16 1HB GLU 2 2HB GLU 2 10.536 12.787 -5.455 17 2HB GLU 2 3HB GLU 2 11.954 13.807 -5.394 18 1HG GLU 2 2HG GLU 2 11.778 11.465 -3.471 19 2HG GLU 2 3HG GLU 2 12.078 11.160 -5.174 20 HE2 GLU 2 2HE GLU 2 15.437 11.689 -4.634 21 H HIS 3 H HIS 3 8.626 12.666 -4.537 22 HA HIS 3 HA HIS 3 7.768 11.546 -1.946 23 1HB HIS 3 2HB HIS 3 6.648 13.789 -2.500 24 2HB HIS 3 3HB HIS 3 5.944 13.008 -3.910 25 H CYS 4 H CYS 4 5.975 9.886 -2.429 26 HA CYS 4 HA CYS 4 6.530 8.423 -4.945 27 1HB CYS 4 2HB CYS 4 6.601 6.378 -3.418 28 2HB CYS 4 3HB CYS 4 8.006 7.424 -3.496 29 H GLY 5 H GLY 5 4.488 7.448 -2.110 30 1HA GLY 5 3HA GLY 5 2.036 8.242 -3.327 31 2HA GLY 5 2HA GLY 5 2.226 7.213 -1.909 32 H SER 6 H SER 6 3.279 4.730 -2.782 33 HA SER 6 HA SER 6 2.777 4.583 -5.632 34 1HB SER 6 2HB SER 6 4.103 2.623 -3.774 35 2HB SER 6 3HB SER 6 4.275 2.777 -5.545 36 HG SER 6 HG SER 6 6.032 3.773 -4.596 37 H ILE 7 H ILE 7 0.253 4.391 -5.216 38 HA ILE 7 HA ILE 7 -0.826 2.054 -4.192 39 HB ILE 7 HB ILE 7 -1.983 3.208 -6.644 40 1HD1 ILE 7 3HD ILE 7 -1.610 6.698 -5.813 41 2HD1 ILE 7 1HD ILE 7 -0.542 5.447 -6.474 42 3HD1 ILE 7 2HD ILE 7 -2.191 5.616 -7.093 43 H LEU 8 H LEU 8 -0.841 0.025 -4.805 44 HA LEU 8 HA LEU 8 0.336 -0.873 -7.411 45 1HB LEU 8 2HB LEU 8 1.421 -1.734 -5.480 46 2HB LEU 8 3HB LEU 8 -0.106 -2.405 -4.865 47 HG LEU 8 HG LEU 8 -0.176 -3.784 -6.982 48 H HIS 9 H HIS 9 -2.481 -1.896 -5.368 49 HA HIS 9 HA HIS 9 -4.542 -2.571 -5.934 50 1HB HIS 9 2HB HIS 9 -5.759 -0.940 -7.156 51 2HB HIS 9 3HB HIS 9 -4.574 -0.195 -6.094 52 H GLY 10 H GLY 10 -2.713 -4.284 -7.408 53 1HA GLY 10 3HA GLY 10 -2.593 -4.615 -9.979 54 2HA GLY 10 2HA GLY 10 -4.326 -4.973 -9.815 55 H THR 11 H THR 11 -4.644 -7.183 -9.801 56 HA THR 11 HA THR 11 -2.801 -8.982 -8.437 57 HB THR 11 HB THR 11 -5.678 -9.258 -7.669 58 H TRP 12 H TRP 12 -3.706 -11.315 -8.848 59 HA TRP 12 HA TRP 12 -4.765 -11.616 -11.533 60 1HB TRP 12 2HB TRP 12 -4.772 -14.044 -10.861 61 2HB TRP 12 3HB TRP 12 -3.214 -13.251 -10.775 62 H LEU 13 H LEU 13 -6.724 -13.149 -11.732 63 HA LEU 13 HA LEU 13 -8.959 -13.100 -11.899 64 1HB LEU 13 2HB LEU 13 -8.539 -13.384 -9.079 65 2HB LEU 13 3HB LEU 13 -9.758 -12.168 -9.248 66 HG LEU 13 HG LEU 13 -10.999 -13.828 -10.812 67 HA PRO 14 HA PRO 14 -9.806 -8.767 -12.650 68 1HB PRO 14 2HB PRO 14 -12.297 -7.967 -11.931 69 2HB PRO 14 3HB PRO 14 -12.008 -9.207 -13.182 70 1HG PRO 14 2HG PRO 14 -12.650 -9.662 -10.252 71 2HG PRO 14 3HG PRO 14 -13.451 -10.388 -11.683 72 1HD PRO 14 2HD PRO 14 -11.499 -11.652 -10.308 73 2HD PRO 14 3HD PRO 14 -11.628 -11.831 -12.083 74 H LYS 15 H LYS 15 -8.102 -8.875 -10.856 75 HA LYS 15 HA LYS 15 -6.955 -8.257 -9.147 76 1HB LYS 15 2HB LYS 15 -6.847 -5.945 -8.487 77 2HB LYS 15 3HB LYS 15 -7.056 -6.064 -10.227 78 1HG LYS 15 2HG LYS 15 -9.335 -5.360 -10.118 79 2HG LYS 15 3HG LYS 15 -9.420 -5.598 -8.362 80 1HD LYS 15 2HD LYS 15 -7.878 -3.706 -8.027 81 2HD LYS 15 3HD LYS 15 -7.776 -3.472 -9.791 82 1HE LYS 15 2HE LYS 15 -10.210 -3.096 -9.901 83 2HE LYS 15 3HE LYS 15 -10.368 -3.419 -8.171 84 1HZ LYS 15 2HZ LYS 15 -8.865 -1.167 -9.344 85 2HZ LYS 15 3HZ LYS 15 -10.352 -1.068 -8.651 86 3HZ LYS 15 1HZ LYS 15 -9.052 -1.460 -7.729 87 H LYS 16 H LYS 16 -6.791 -7.530 -6.842 88 HA LYS 16 HA LYS 16 -9.317 -7.667 -5.313 89 1HB LYS 16 2HB LYS 16 -7.900 -9.839 -5.288 90 2HB LYS 16 3HB LYS 16 -6.768 -8.941 -4.263 91 1HG LYS 16 2HG LYS 16 -8.543 -8.583 -2.588 92 2HG LYS 16 3HG LYS 16 -9.757 -9.258 -3.690 93 1HD LYS 16 2HD LYS 16 -8.633 -11.457 -3.598 94 2HD LYS 16 3HD LYS 16 -7.414 -10.789 -2.484 95 1HE LYS 16 2HE LYS 16 -9.180 -10.249 -0.848 96 2HE LYS 16 3HE LYS 16 -10.425 -10.821 -1.968 97 1HZ LYS 16 2HZ LYS 16 -8.310 -12.504 -0.779 98 2HZ LYS 16 3HZ LYS 16 -9.891 -12.480 -0.321 99 3HZ LYS 16 1HZ LYS 16 -9.480 -13.025 -1.816 100 H CYS 17 H CYS 17 -7.347 -5.563 -6.405 101 HA CYS 17 HA CYS 17 -6.622 -3.567 -5.889 102 1HB CYS 17 2HB CYS 17 -9.033 -3.662 -4.869 103 2HB CYS 17 3HB CYS 17 -8.174 -3.474 -3.340 104 H SER 18 H SER 18 -4.809 -5.359 -5.401 105 HA SER 18 HA SER 18 -3.295 -5.842 -3.406 106 1HB SER 18 2HB SER 18 -2.395 -4.426 -5.867 107 2HB SER 18 3HB SER 18 -1.352 -5.355 -4.804 108 HG SER 18 HG SER 18 -2.285 -6.545 -6.669 109 H LEU 19 H LEU 19 -2.676 -4.885 -1.549 110 HA LEU 19 HA LEU 19 -2.581 -2.056 -1.221 111 1HB LEU 19 2HB LEU 19 -3.210 -3.714 0.500 112 2HB LEU 19 3HB LEU 19 -1.570 -4.322 0.546 113 HG LEU 19 HG LEU 19 -2.450 -1.518 1.374 114 H CYS 20 H CYS 20 -1.116 -0.819 -2.109 115 HA CYS 20 HA CYS 20 1.421 -0.941 -0.856 116 1HB CYS 20 2HB CYS 20 1.891 -1.965 -3.124 117 2HB CYS 20 3HB CYS 20 1.357 -0.444 -3.844 118 H ARG 21 H ARG 21 2.327 1.376 -1.046 119 HA ARG 21 HA ARG 21 1.199 3.558 -2.060 120 1HB ARG 21 2HB ARG 21 0.275 3.090 0.817 121 2HB ARG 21 3HB ARG 21 0.594 4.699 0.189 122 1HG ARG 21 2HG ARG 21 -1.059 3.890 -1.781 123 2HG ARG 21 3HG ARG 21 -1.641 2.840 -0.482 124 1HD ARG 21 2HD ARG 21 -3.011 4.763 -0.396 125 2HD ARG 21 3HD ARG 21 -1.902 4.915 0.957 126 HE ARG 21 HE ARG 21 -0.841 6.697 -0.049 127 H CYS 22 H CYS 22 2.478 5.447 -0.791 128 HA CYS 22 HA CYS 22 4.673 4.492 0.800 129 1HB CYS 22 2HB CYS 22 5.628 3.947 -1.254 130 2HB CYS 22 3HB CYS 22 5.166 5.471 -1.991 131 H TRP 23 H TRP 23 4.455 5.954 2.459 132 HA TRP 23 HA TRP 23 3.149 8.520 1.809 133 1HB TRP 23 2HB TRP 23 2.845 6.808 3.981 134 2HB TRP 23 3HB TRP 23 3.762 8.134 4.662 135 H HIS 24 H HIS 24 4.821 9.364 0.666 136 HA HIS 24 HA HIS 24 6.473 10.823 0.234 137 1HB HIS 24 2HB HIS 24 5.517 11.882 2.409 138 2HB HIS 24 3HB HIS 24 6.978 11.286 3.179 139 H GLY 25 H GLY 25 7.175 8.161 2.249 140 1HA GLY 25 3HA GLY 25 10.025 8.216 2.331 141 2HA GLY 25 2HA GLY 25 9.458 7.225 0.975 142 H GLN 26 H GLN 26 7.369 7.444 3.865 143 HA GLN 26 HA GLN 26 8.301 4.906 4.986 144 1HB GLN 26 2HB GLN 26 5.919 6.708 5.612 145 2HB GLN 26 3HB GLN 26 6.398 5.279 6.537 146 1HG GLN 26 2HG GLN 26 8.622 6.346 6.992 147 2HG GLN 26 3HG GLN 26 8.047 7.820 6.198 148 H LEU 27 H LEU 27 6.697 3.271 5.384 149 HA LEU 27 HA LEU 27 5.345 1.562 4.771 150 1HB LEU 27 2HB LEU 27 4.094 3.271 2.601 151 2HB LEU 27 3HB LEU 27 3.505 1.741 3.215 152 HG LEU 27 HG LEU 27 3.611 4.328 4.815 153 H HIS 28 H HIS 28 4.651 0.555 2.231 154 HA HIS 28 HA HIS 28 6.331 0.594 0.134 155 1HB HIS 28 2HB HIS 28 7.636 -1.602 0.498 156 2HB HIS 28 3HB HIS 28 8.274 -0.153 1.226 157 H CYS 29 H CYS 29 6.067 -1.715 -1.053 158 HA CYS 29 HA CYS 29 3.225 -2.191 -1.075 159 1HB CYS 29 2HB CYS 29 5.479 -3.631 -2.528 160 2HB CYS 29 3HB CYS 29 3.759 -3.762 -2.869 161 H LEU 30 H LEU 30 2.053 -3.731 -0.126 162 HA LEU 30 HA LEU 30 3.243 -6.261 0.693 163 1HB LEU 30 2HB LEU 30 2.024 -4.341 2.634 164 2HB LEU 30 3HB LEU 30 2.124 -6.099 2.912 165 HG LEU 30 HG LEU 30 4.507 -4.243 2.632 166 HA PRO 31 HA PRO 31 -1.069 -6.212 -1.041 167 1HB PRO 31 2HB PRO 31 -0.722 -7.927 -3.120 168 2HB PRO 31 3HB PRO 31 -0.086 -6.256 -3.147 169 1HG PRO 31 2HG PRO 31 1.405 -8.793 -2.439 170 2HG PRO 31 3HG PRO 31 1.900 -7.491 -3.576 171 1HD PRO 31 2HD PRO 31 2.709 -7.623 -0.896 172 2HD PRO 31 3HD PRO 31 2.539 -6.070 -1.778 173 H GLN 32 H GLN 32 0.323 -8.060 1.074 174 HA GLN 32 HA GLN 32 -0.831 -10.729 0.833 175 1HB GLN 32 2HB GLN 32 0.719 -9.190 2.955 176 2HB GLN 32 3HB GLN 32 0.249 -10.881 3.150 177 1HG GLN 32 2HG GLN 32 1.765 -11.678 1.619 178 2HG GLN 32 3HG GLN 32 1.759 -10.216 0.642 179 H THR 33 H THR 33 -2.808 -8.819 0.611 180 HA THR 33 HA THR 33 -4.430 -7.583 1.301 181 HB THR 33 HB THR 33 -5.040 -10.065 1.824 182 H PHE 34 H PHE 34 -2.932 -8.624 4.362 183 HA PHE 34 HA PHE 34 -2.600 -7.636 6.340 184 1HB PHE 34 2HB PHE 34 -0.604 -7.039 5.241 185 2HB PHE 34 3HB PHE 34 -1.356 -5.698 4.400 186 HZ PHE 34 HZ PHE 34 0.135 -2.866 9.313 187 H LEU 35 H LEU 35 -3.473 -4.665 4.562 188 HA LEU 35 HA LEU 35 -5.759 -4.203 6.337 189 1HB LEU 35 2HB LEU 35 -3.752 -3.179 7.487 190 2HB LEU 35 3HB LEU 35 -3.517 -2.157 6.076 191 HG LEU 35 HG LEU 35 -5.894 -1.252 6.479 192 HA PRO 36 HA PRO 36 -5.535 -3.674 1.812 193 1HB PRO 36 2HB PRO 36 -7.650 -5.159 0.915 194 2HB PRO 36 3HB PRO 36 -6.207 -5.886 1.662 195 1HG PRO 36 2HG PRO 36 -8.812 -5.146 3.056 196 2HG PRO 36 3HG PRO 36 -7.994 -6.741 3.054 197 1HD PRO 36 2HD PRO 36 -7.589 -4.990 5.072 198 2HD PRO 36 3HD PRO 36 -6.227 -5.943 4.413 199 H GLY 37 H GLY 37 -6.112 -1.387 2.689 200 1HA GLY 37 3HA GLY 37 -7.320 0.545 2.624 201 2HA GLY 37 2HA GLY 37 -8.779 -0.488 2.499 202 H CYS 38 H CYS 38 -6.792 -1.024 -0.116 203 HA CYS 38 HA CYS 38 -6.965 -0.615 -2.271 204 1HB CYS 38 2HB CYS 38 -9.124 -1.655 -1.623 205 2HB CYS 38 3HB CYS 38 -9.854 -0.064 -1.515 206 H ASP 39 H ASP 39 -6.676 1.834 -0.482 207 HA ASP 39 HA ASP 39 -7.719 4.089 -1.915 208 1HB ASP 39 2HB ASP 39 -7.232 4.206 0.470 209 2HB ASP 39 3HB ASP 39 -5.506 3.949 0.169 No H/Q in entry = 209 Start of MODEL 9 1 H LYS 1 H LYS 1 8.727 10.402 5.634 2 HA LYS 1 HA LYS 1 9.664 12.823 4.174 3 1HB LYS 1 2HB LYS 1 11.875 11.985 4.143 4 2HB LYS 1 3HB LYS 1 11.319 12.074 5.789 5 1HG LYS 1 2HG LYS 1 11.318 9.425 4.272 6 2HG LYS 1 3HG LYS 1 12.763 10.085 5.020 7 1HD LYS 1 2HD LYS 1 11.563 10.125 7.238 8 2HD LYS 1 3HD LYS 1 10.193 9.327 6.457 9 1HE LYS 1 2HE LYS 1 11.471 7.626 7.537 10 2HE LYS 1 3HE LYS 1 11.678 7.433 5.795 11 1HZ LYS 1 2HZ LYS 1 13.612 8.717 7.634 12 2HZ LYS 1 3HZ LYS 1 13.760 7.219 6.976 13 3HZ LYS 1 1HZ LYS 1 13.822 8.545 6.010 14 H GLU 2 H GLU 2 11.337 11.121 2.463 15 HA GLU 2 HA GLU 2 11.437 10.112 0.535 16 1HB GLU 2 2HB GLU 2 10.913 8.278 2.121 17 2HB GLU 2 3HB GLU 2 9.217 8.350 1.609 18 1HG GLU 2 2HG GLU 2 9.866 7.815 -0.685 19 2HG GLU 2 3HG GLU 2 11.579 7.878 -0.260 20 HE2 GLU 2 2HE GLU 2 11.411 4.464 0.212 21 H HIS 3 H HIS 3 7.901 10.095 0.923 22 HA HIS 3 HA HIS 3 6.273 10.030 -0.695 23 1HB HIS 3 2HB HIS 3 5.637 12.244 -1.360 24 2HB HIS 3 3HB HIS 3 6.146 12.187 0.313 25 H CYS 4 H CYS 4 6.904 8.449 -2.202 26 HA CYS 4 HA CYS 4 7.447 9.623 -4.867 27 1HB CYS 4 2HB CYS 4 8.757 7.562 -5.425 28 2HB CYS 4 3HB CYS 4 9.526 8.818 -4.500 29 H GLY 5 H GLY 5 4.883 9.265 -3.899 30 1HA GLY 5 3HA GLY 5 4.030 6.633 -4.728 31 2HA GLY 5 2HA GLY 5 3.351 7.972 -5.681 32 H SER 6 H SER 6 2.403 5.814 -3.368 33 HA SER 6 HA SER 6 1.469 7.119 -1.205 34 1HB SER 6 2HB SER 6 -0.406 7.450 -3.588 35 2HB SER 6 3HB SER 6 -1.018 7.354 -1.926 36 HG SER 6 HG SER 6 1.052 9.134 -2.686 37 H ILE 7 H ILE 7 -0.009 5.772 -0.125 38 HA ILE 7 HA ILE 7 -0.159 2.975 -0.657 39 HB ILE 7 HB ILE 7 -2.207 4.676 0.761 40 1HD1 ILE 7 3HD ILE 7 1.239 3.408 2.983 41 2HD1 ILE 7 1HD ILE 7 0.157 2.125 2.429 42 3HD1 ILE 7 2HD ILE 7 1.169 3.001 1.258 43 H LEU 8 H LEU 8 -1.521 1.886 -1.798 44 HA LEU 8 HA LEU 8 -3.730 3.017 -3.384 45 1HB LEU 8 2HB LEU 8 -1.038 2.338 -4.497 46 2HB LEU 8 3HB LEU 8 -2.444 1.820 -5.435 47 HG LEU 8 HG LEU 8 -2.196 4.695 -4.559 48 H HIS 9 H HIS 9 -2.287 -0.014 -4.619 49 HA HIS 9 HA HIS 9 -4.753 -1.378 -3.461 50 1HB HIS 9 2HB HIS 9 -4.042 -0.852 -6.332 51 2HB HIS 9 3HB HIS 9 -5.489 -1.586 -5.662 52 H GLY 10 H GLY 10 -4.679 -3.719 -3.816 53 1HA GLY 10 3HA GLY 10 -2.121 -4.963 -3.634 54 2HA GLY 10 2HA GLY 10 -2.664 -4.949 -5.307 55 H THR 11 H THR 11 -3.002 -6.461 -2.249 56 HA THR 11 HA THR 11 -4.406 -7.857 -1.257 57 HB THR 11 HB THR 11 -6.540 -7.425 -3.361 58 H TRP 12 H TRP 12 -4.184 -8.152 -4.713 59 HA TRP 12 HA TRP 12 -3.613 -9.634 -6.171 60 1HB TRP 12 2HB TRP 12 -1.849 -9.995 -4.226 61 2HB TRP 12 3HB TRP 12 -2.551 -11.589 -4.142 62 H LEU 13 H LEU 13 -3.700 -11.902 -7.005 63 HA LEU 13 HA LEU 13 -5.237 -13.148 -8.097 64 1HB LEU 13 2HB LEU 13 -5.462 -13.914 -5.317 65 2HB LEU 13 3HB LEU 13 -7.073 -13.860 -5.963 66 HG LEU 13 HG LEU 13 -6.191 -15.342 -7.901 67 HA PRO 14 HA PRO 14 -8.639 -10.409 -8.930 68 1HB PRO 14 2HB PRO 14 -11.028 -11.701 -9.202 69 2HB PRO 14 3HB PRO 14 -9.664 -11.896 -10.342 70 1HG PRO 14 2HG PRO 14 -10.418 -13.704 -8.032 71 2HG PRO 14 3HG PRO 14 -10.025 -14.167 -9.718 72 1HD PRO 14 2HD PRO 14 -8.210 -14.282 -7.718 73 2HD PRO 14 3HD PRO 14 -7.718 -13.821 -9.374 74 H LYS 15 H LYS 15 -8.116 -9.508 -6.692 75 HA LYS 15 HA LYS 15 -10.335 -9.742 -4.739 76 1HB LYS 15 2HB LYS 15 -7.516 -8.826 -4.735 77 2HB LYS 15 3HB LYS 15 -8.649 -8.118 -3.599 78 1HG LYS 15 2HG LYS 15 -7.252 -10.244 -2.940 79 2HG LYS 15 3HG LYS 15 -8.887 -10.037 -2.343 80 1HD LYS 15 2HD LYS 15 -8.412 -11.709 -4.811 81 2HD LYS 15 3HD LYS 15 -7.966 -12.344 -3.239 82 1HE LYS 15 2HE LYS 15 -10.100 -12.501 -2.444 83 2HE LYS 15 3HE LYS 15 -10.697 -11.145 -3.397 84 1HZ LYS 15 2HZ LYS 15 -10.030 -13.772 -4.556 85 2HZ LYS 15 3HZ LYS 15 -11.551 -13.260 -4.172 86 3HZ LYS 15 1HZ LYS 15 -10.698 -12.475 -5.341 87 H LYS 16 H LYS 16 -8.679 -6.736 -5.661 88 HA LYS 16 HA LYS 16 -11.326 -5.740 -6.440 89 1HB LYS 16 2HB LYS 16 -11.134 -5.612 -3.874 90 2HB LYS 16 3HB LYS 16 -9.876 -4.428 -4.139 91 1HG LYS 16 2HG LYS 16 -11.706 -3.078 -3.827 92 2HG LYS 16 3HG LYS 16 -11.704 -3.168 -5.584 93 1HD LYS 16 2HD LYS 16 -13.457 -4.831 -3.698 94 2HD LYS 16 3HD LYS 16 -13.933 -3.347 -4.500 95 1HE LYS 16 2HE LYS 16 -14.824 -4.642 -6.058 96 2HE LYS 16 3HE LYS 16 -13.182 -4.764 -6.694 97 1HZ LYS 16 2HZ LYS 16 -14.448 -6.687 -4.823 98 2HZ LYS 16 3HZ LYS 16 -14.278 -6.916 -6.441 99 3HZ LYS 16 1HZ LYS 16 -12.951 -6.872 -5.488 100 H CYS 17 H CYS 17 -7.942 -4.239 -5.621 101 HA CYS 17 HA CYS 17 -7.666 -3.978 -8.465 102 1HB CYS 17 2HB CYS 17 -7.426 -1.543 -8.357 103 2HB CYS 17 3HB CYS 17 -9.059 -2.067 -8.046 104 H SER 18 H SER 18 -5.356 -3.149 -8.883 105 HA SER 18 HA SER 18 -3.584 -3.245 -6.547 106 1HB SER 18 2HB SER 18 -2.045 -4.704 -7.907 107 2HB SER 18 3HB SER 18 -3.466 -5.514 -7.241 108 HG SER 18 HG SER 18 -3.182 -6.070 -9.429 109 H LEU 19 H LEU 19 -1.742 -2.347 -6.670 110 HA LEU 19 HA LEU 19 -0.473 -0.858 -8.554 111 1HB LEU 19 2HB LEU 19 -2.999 0.445 -7.910 112 2HB LEU 19 3HB LEU 19 -1.637 1.431 -7.461 113 HG LEU 19 HG LEU 19 -1.866 0.212 -10.230 114 H CYS 20 H CYS 20 1.327 -1.086 -7.570 115 HA CYS 20 HA CYS 20 2.005 -0.177 -4.854 116 1HB CYS 20 2HB CYS 20 3.560 -1.676 -5.863 117 2HB CYS 20 3HB CYS 20 3.331 -0.970 -7.467 118 H ARG 21 H ARG 21 2.055 2.228 -4.461 119 HA ARG 21 HA ARG 21 4.105 3.124 -6.155 120 1HB ARG 21 2HB ARG 21 1.933 5.168 -5.512 121 2HB ARG 21 3HB ARG 21 3.529 5.456 -6.253 122 1HG ARG 21 2HG ARG 21 2.968 4.261 -8.223 123 2HG ARG 21 3HG ARG 21 1.354 3.885 -7.568 124 1HD ARG 21 2HD ARG 21 0.869 6.316 -7.400 125 2HD ARG 21 3HD ARG 21 2.403 6.649 -8.233 126 HE ARG 21 HE ARG 21 1.232 4.878 -9.904 127 H CYS 22 H CYS 22 5.378 4.765 -4.796 128 HA CYS 22 HA CYS 22 5.501 3.634 -2.187 129 1HB CYS 22 2HB CYS 22 7.683 3.919 -2.805 130 2HB CYS 22 3HB CYS 22 7.236 5.088 -4.028 131 H TRP 23 H TRP 23 5.295 4.458 -0.020 132 HA TRP 23 HA TRP 23 3.383 6.642 -0.123 133 1HB TRP 23 2HB TRP 23 2.918 4.593 1.099 134 2HB TRP 23 3HB TRP 23 4.240 4.928 2.203 135 H HIS 24 H HIS 24 3.547 8.087 2.048 136 HA HIS 24 HA HIS 24 5.807 9.846 1.536 137 1HB HIS 24 2HB HIS 24 3.392 10.551 1.779 138 2HB HIS 24 3HB HIS 24 3.517 10.195 3.499 139 H GLY 25 H GLY 25 7.005 7.667 2.469 140 1HA GLY 25 3HA GLY 25 7.686 8.163 5.335 141 2HA GLY 25 2HA GLY 25 8.849 8.628 4.093 142 H GLN 26 H GLN 26 7.113 5.710 3.198 143 HA GLN 26 HA GLN 26 9.424 4.074 3.547 144 1HB GLN 26 2HB GLN 26 6.844 3.629 5.122 145 2HB GLN 26 3HB GLN 26 7.923 2.299 4.666 146 1HG GLN 26 2HG GLN 26 9.730 3.360 6.012 147 2HG GLN 26 3HG GLN 26 8.573 4.602 6.537 148 H LEU 27 H LEU 27 9.064 2.269 2.185 149 HA LEU 27 HA LEU 27 7.910 2.944 -0.129 150 1HB LEU 27 2HB LEU 27 9.549 0.943 0.580 151 2HB LEU 27 3HB LEU 27 8.099 -0.023 0.312 152 HG LEU 27 HG LEU 27 9.475 1.873 -1.654 153 H HIS 28 H HIS 28 6.396 0.293 1.814 154 HA HIS 28 HA HIS 28 4.322 -0.675 1.606 155 1HB HIS 28 2HB HIS 28 3.515 2.209 2.074 156 2HB HIS 28 3HB HIS 28 2.468 0.810 2.290 157 H CYS 29 H CYS 29 5.019 -0.938 -0.785 158 HA CYS 29 HA CYS 29 2.633 -0.527 -2.456 159 1HB CYS 29 2HB CYS 29 3.617 0.846 -3.904 160 2HB CYS 29 3HB CYS 29 4.857 1.190 -2.748 161 H LEU 30 H LEU 30 2.126 -2.532 -3.097 162 HA LEU 30 HA LEU 30 3.819 -4.153 -4.448 163 1HB LEU 30 2HB LEU 30 3.994 -6.057 -3.095 164 2HB LEU 30 3HB LEU 30 4.894 -4.758 -2.355 165 HG LEU 30 HG LEU 30 2.194 -5.735 -1.330 166 HA PRO 31 HA PRO 31 -0.527 -4.931 -5.152 167 1HB PRO 31 2HB PRO 31 -0.470 -6.771 -7.157 168 2HB PRO 31 3HB PRO 31 -0.024 -5.047 -7.351 169 1HG PRO 31 2HG PRO 31 1.809 -7.387 -6.991 170 2HG PRO 31 3HG PRO 31 1.926 -6.016 -8.153 171 1HD PRO 31 2HD PRO 31 3.308 -6.110 -5.749 172 2HD PRO 31 3HD PRO 31 2.780 -4.586 -6.523 173 H GLN 32 H GLN 32 1.490 -6.972 -3.410 174 HA GLN 32 HA GLN 32 -0.434 -9.180 -3.115 175 1HB GLN 32 2HB GLN 32 2.361 -8.858 -2.001 176 2HB GLN 32 3HB GLN 32 1.274 -10.201 -1.677 177 1HG GLN 32 2HG GLN 32 2.732 -10.966 -3.348 178 2HG GLN 32 3HG GLN 32 1.182 -10.682 -4.141 179 H THR 33 H THR 33 1.443 -8.107 -0.331 180 HA THR 33 HA THR 33 -0.880 -8.229 1.274 181 HB THR 33 HB THR 33 1.821 -7.089 2.080 182 H PHE 34 H PHE 34 -2.167 -6.744 0.146 183 HA PHE 34 HA PHE 34 -1.946 -3.944 1.110 184 1HB PHE 34 2HB PHE 34 -1.190 -4.849 -1.444 185 2HB PHE 34 3HB PHE 34 -2.804 -4.199 -1.675 186 HZ PHE 34 HZ PHE 34 0.103 0.748 -0.326 187 H LEU 35 H LEU 35 -3.659 -6.201 1.880 188 HA LEU 35 HA LEU 35 -6.330 -5.873 1.128 189 1HB LEU 35 2HB LEU 35 -5.188 -6.462 3.900 190 2HB LEU 35 3HB LEU 35 -6.897 -6.409 3.518 191 HG LEU 35 HG LEU 35 -6.351 -8.219 1.713 192 HA PRO 36 HA PRO 36 -6.647 -1.878 3.563 193 1HB PRO 36 2HB PRO 36 -4.516 -0.640 4.760 194 2HB PRO 36 3HB PRO 36 -5.450 -1.917 5.601 195 1HG PRO 36 2HG PRO 36 -2.818 -2.198 4.116 196 2HG PRO 36 3HG PRO 36 -3.266 -2.856 5.718 197 1HD PRO 36 2HD PRO 36 -3.371 -4.306 3.388 198 2HD PRO 36 3HD PRO 36 -4.450 -4.616 4.767 199 H GLY 37 H GLY 37 -7.023 -1.158 1.629 200 1HA GLY 37 3HA GLY 37 -4.925 -0.559 -0.301 201 2HA GLY 37 2HA GLY 37 -5.816 0.868 0.266 202 H CYS 38 H CYS 38 -6.944 -2.483 -0.229 203 HA CYS 38 HA CYS 38 -9.139 -1.575 -1.848 204 1HB CYS 38 2HB CYS 38 -7.037 -1.395 -3.363 205 2HB CYS 38 3HB CYS 38 -7.208 -3.128 -3.566 206 H ASP 39 H ASP 39 -9.822 -2.675 -0.012 207 HA ASP 39 HA ASP 39 -10.795 -4.355 1.145 208 1HB ASP 39 2HB ASP 39 -11.749 -4.901 -1.676 209 2HB ASP 39 3HB ASP 39 -12.543 -5.452 -0.202 No H/Q in entry = 209 Start of MODEL 10 1 H LYS 1 H LYS 1 9.060 18.693 4.964 2 HA LYS 1 HA LYS 1 10.510 16.270 3.999 3 1HB LYS 1 2HB LYS 1 8.942 16.672 6.575 4 2HB LYS 1 3HB LYS 1 9.828 15.227 6.095 5 1HG LYS 1 2HG LYS 1 11.011 17.955 6.773 6 2HG LYS 1 3HG LYS 1 11.089 16.480 7.736 7 1HD LYS 1 2HD LYS 1 12.425 15.397 5.876 8 2HD LYS 1 3HD LYS 1 12.403 16.946 5.023 9 1HE LYS 1 2HE LYS 1 14.503 16.802 6.133 10 2HE LYS 1 3HE LYS 1 13.536 18.033 6.953 11 1HZ LYS 1 2HZ LYS 1 13.946 15.258 7.886 12 2HZ LYS 1 3HZ LYS 1 14.661 16.598 8.512 13 3HZ LYS 1 1HZ LYS 1 13.036 16.393 8.659 14 H GLU 2 H GLU 2 9.271 16.390 2.117 15 HA GLU 2 HA GLU 2 6.403 15.824 2.076 16 1HB GLU 2 2HB GLU 2 6.742 15.635 -0.371 17 2HB GLU 2 3HB GLU 2 7.241 17.180 0.280 18 1HG GLU 2 2HG GLU 2 9.238 14.951 -0.325 19 2HG GLU 2 3HG GLU 2 8.718 16.137 -1.524 20 HE2 GLU 2 2HE GLU 2 11.107 17.267 1.525 21 H HIS 3 H HIS 3 5.810 13.820 0.536 22 HA HIS 3 HA HIS 3 7.237 11.422 1.574 23 1HB HIS 3 2HB HIS 3 4.215 11.608 1.559 24 2HB HIS 3 3HB HIS 3 5.240 10.488 2.434 25 H CYS 4 H CYS 4 7.698 10.139 -0.138 26 HA CYS 4 HA CYS 4 6.457 10.293 -2.726 27 1HB CYS 4 2HB CYS 4 8.592 9.368 -2.599 28 2HB CYS 4 3HB CYS 4 8.225 8.371 -1.211 29 H GLY 5 H GLY 5 4.945 8.727 -3.677 30 1HA GLY 5 3HA GLY 5 2.557 8.291 -2.450 31 2HA GLY 5 2HA GLY 5 3.431 6.791 -2.152 32 H SER 6 H SER 6 2.852 5.153 -3.915 33 HA SER 6 HA SER 6 1.530 6.418 -6.138 34 1HB SER 6 2HB SER 6 2.695 4.863 -7.734 35 2HB SER 6 3HB SER 6 3.724 6.166 -7.118 36 HG SER 6 HG SER 6 4.778 4.145 -7.077 37 H ILE 7 H ILE 7 -0.078 4.934 -6.886 38 HA ILE 7 HA ILE 7 -0.377 2.340 -5.484 39 HB ILE 7 HB ILE 7 -2.611 4.299 -5.972 40 1HD1 ILE 7 2HD ILE 7 -2.590 6.279 -4.471 41 2HD1 ILE 7 1HD ILE 7 -0.835 6.139 -4.696 42 3HD1 ILE 7 3HD ILE 7 -1.506 6.271 -3.066 43 H LEU 8 H LEU 8 -1.511 0.827 -6.721 44 HA LEU 8 HA LEU 8 -1.376 1.309 -9.667 45 1HB LEU 8 2HB LEU 8 0.574 0.267 -8.558 46 2HB LEU 8 3HB LEU 8 -0.402 -1.136 -8.148 47 HG LEU 8 HG LEU 8 0.071 -0.161 -11.003 48 H HIS 9 H HIS 9 -2.838 -0.977 -7.240 49 HA HIS 9 HA HIS 9 -5.042 -1.993 -7.285 50 1HB HIS 9 2HB HIS 9 -6.013 -0.460 -9.579 51 2HB HIS 9 3HB HIS 9 -6.788 -0.902 -8.069 52 H GLY 10 H GLY 10 -2.726 -2.830 -9.019 53 1HA GLY 10 3HA GLY 10 -2.848 -4.276 -11.100 54 2HA GLY 10 2HA GLY 10 -4.292 -4.988 -10.356 55 H THR 11 H THR 11 -3.932 -5.688 -7.918 56 HA THR 11 HA THR 11 -1.377 -6.965 -7.423 57 HB THR 11 HB THR 11 -3.611 -8.354 -6.241 58 H TRP 12 H TRP 12 -1.089 -9.317 -7.714 59 HA TRP 12 HA TRP 12 -2.198 -10.253 -10.219 60 1HB TRP 12 2HB TRP 12 0.135 -10.755 -8.821 61 2HB TRP 12 3HB TRP 12 -0.787 -12.207 -8.481 62 H LEU 13 H LEU 13 -3.006 -12.669 -10.198 63 HA LEU 13 HA LEU 13 -4.934 -13.873 -10.001 64 1HB LEU 13 2HB LEU 13 -4.897 -13.221 -7.048 65 2HB LEU 13 3HB LEU 13 -5.695 -14.585 -7.850 66 HG LEU 13 HG LEU 13 -2.696 -14.299 -7.729 67 HA PRO 14 HA PRO 14 -8.232 -11.134 -10.539 68 1HB PRO 14 2HB PRO 14 -10.449 -11.366 -8.978 69 2HB PRO 14 3HB PRO 14 -9.820 -12.725 -9.946 70 1HG PRO 14 2HG PRO 14 -9.270 -12.144 -7.016 71 2HG PRO 14 3HG PRO 14 -9.879 -13.671 -7.741 72 1HD PRO 14 2HD PRO 14 -7.246 -13.251 -7.218 73 2HD PRO 14 3HD PRO 14 -7.759 -14.178 -8.672 74 H LYS 15 H LYS 15 -6.208 -9.975 -8.875 75 HA LYS 15 HA LYS 15 -5.510 -8.448 -7.472 76 1HB LYS 15 2HB LYS 15 -6.195 -6.149 -7.842 77 2HB LYS 15 3HB LYS 15 -6.035 -7.019 -9.362 78 1HG LYS 15 2HG LYS 15 -8.396 -7.200 -9.627 79 2HG LYS 15 3HG LYS 15 -8.717 -6.625 -7.971 80 1HD LYS 15 2HD LYS 15 -7.814 -4.403 -8.625 81 2HD LYS 15 3HD LYS 15 -7.583 -4.998 -10.282 82 1HE LYS 15 2HE LYS 15 -10.212 -4.760 -8.746 83 2HE LYS 15 3HE LYS 15 -9.684 -3.732 -10.086 84 1HZ LYS 15 2HZ LYS 15 -10.252 -6.625 -10.261 85 2HZ LYS 15 3HZ LYS 15 -11.239 -5.425 -10.806 86 3HZ LYS 15 1HZ LYS 15 -9.774 -5.676 -11.517 87 H LYS 16 H LYS 16 -6.018 -6.748 -5.714 88 HA LYS 16 HA LYS 16 -8.501 -7.390 -4.216 89 1HB LYS 16 2HB LYS 16 -7.399 -7.837 -2.200 90 2HB LYS 16 3HB LYS 16 -6.804 -8.955 -3.400 91 1HG LYS 16 2HG LYS 16 -4.686 -7.982 -3.548 92 2HG LYS 16 3HG LYS 16 -5.179 -6.437 -2.893 93 1HD LYS 16 2HD LYS 16 -4.606 -8.994 -1.410 94 2HD LYS 16 3HD LYS 16 -3.864 -7.407 -1.212 95 1HE LYS 16 2HE LYS 16 -6.610 -8.334 -0.350 96 2HE LYS 16 3HE LYS 16 -5.291 -7.844 0.699 97 1HZ LYS 16 2HZ LYS 16 -6.574 -5.932 -1.180 98 2HZ LYS 16 3HZ LYS 16 -7.233 -6.294 0.257 99 3HZ LYS 16 1HZ LYS 16 -5.747 -5.592 0.234 100 H CYS 17 H CYS 17 -7.762 -4.994 -5.731 101 HA CYS 17 HA CYS 17 -8.831 -3.024 -5.516 102 1HB CYS 17 2HB CYS 17 -8.372 -3.072 -2.502 103 2HB CYS 17 3HB CYS 17 -9.046 -1.759 -3.434 104 H SER 18 H SER 18 -5.803 -3.721 -3.741 105 HA SER 18 HA SER 18 -4.514 -1.792 -5.540 106 1HB SER 18 2HB SER 18 -3.105 -0.961 -3.746 107 2HB SER 18 3HB SER 18 -4.670 -0.274 -4.166 108 HG SER 18 HG SER 18 -4.006 -0.989 -1.743 109 H LEU 19 H LEU 19 -2.561 -1.838 -5.782 110 HA LEU 19 HA LEU 19 -0.874 -3.448 -4.385 111 1HB LEU 19 2HB LEU 19 -0.860 -4.793 -6.462 112 2HB LEU 19 3HB LEU 19 -0.603 -3.349 -7.425 113 HG LEU 19 HG LEU 19 1.643 -3.059 -6.483 114 H CYS 20 H CYS 20 1.224 -2.184 -4.501 115 HA CYS 20 HA CYS 20 2.378 -0.423 -4.126 116 1HB CYS 20 2HB CYS 20 0.847 0.770 -6.398 117 2HB CYS 20 3HB CYS 20 2.178 1.596 -5.601 118 H ARG 21 H ARG 21 2.670 1.474 -3.283 119 HA ARG 21 HA ARG 21 1.082 3.274 -2.143 120 1HB ARG 21 2HB ARG 21 1.517 3.036 0.190 121 2HB ARG 21 3HB ARG 21 0.728 1.554 -0.336 122 1HG ARG 21 2HG ARG 21 2.792 0.296 -0.171 123 2HG ARG 21 3HG ARG 21 3.758 1.757 -0.012 124 1HD ARG 21 2HD ARG 21 2.420 2.248 2.133 125 2HD ARG 21 3HD ARG 21 1.889 0.557 2.035 126 HE ARG 21 HE ARG 21 4.705 0.675 1.742 127 H CYS 22 H CYS 22 3.171 4.399 -0.587 128 HA CYS 22 HA CYS 22 5.656 3.424 -1.742 129 1HB CYS 22 2HB CYS 22 5.234 5.623 -2.746 130 2HB CYS 22 3HB CYS 22 5.246 6.304 -1.102 131 H TRP 23 H TRP 23 7.256 3.238 -0.017 132 HA TRP 23 HA TRP 23 6.223 3.323 2.737 133 1HB TRP 23 2HB TRP 23 7.979 1.667 1.596 134 2HB TRP 23 3HB TRP 23 9.123 2.914 2.059 135 H HIS 24 H HIS 24 7.172 5.615 0.611 136 HA HIS 24 HA HIS 24 7.264 7.849 0.786 137 1HB HIS 24 2HB HIS 24 7.540 7.671 3.791 138 2HB HIS 24 3HB HIS 24 7.066 9.055 2.828 139 H GLY 25 H GLY 25 9.636 6.158 2.829 140 1HA GLY 25 3HA GLY 25 11.932 6.880 3.152 141 2HA GLY 25 2HA GLY 25 11.812 7.898 1.717 142 H GLN 26 H GLN 26 10.290 4.916 1.061 143 HA GLN 26 HA GLN 26 12.360 4.108 -0.784 144 1HB GLN 26 2HB GLN 26 12.866 2.819 1.377 145 2HB GLN 26 3HB GLN 26 11.228 2.166 1.299 146 1HG GLN 26 2HG GLN 26 11.861 1.207 -1.002 147 2HG GLN 26 3HG GLN 26 13.522 1.686 -0.650 148 H LEU 27 H LEU 27 11.270 2.993 -2.513 149 HA LEU 27 HA LEU 27 8.556 3.584 -2.774 150 1HB LEU 27 2HB LEU 27 10.391 3.070 -4.591 151 2HB LEU 27 3HB LEU 27 9.717 1.445 -4.526 152 HG LEU 27 HG LEU 27 8.288 4.066 -5.166 153 H HIS 28 H HIS 28 9.969 0.328 -2.658 154 HA HIS 28 HA HIS 28 9.272 -1.697 -2.147 155 1HB HIS 28 2HB HIS 28 9.055 -0.772 0.141 156 2HB HIS 28 3HB HIS 28 7.337 -0.512 -0.140 157 H CYS 29 H CYS 29 6.325 0.351 -2.349 158 HA CYS 29 HA CYS 29 4.187 -0.057 -3.030 159 1HB CYS 29 2HB CYS 29 5.608 -1.952 -4.966 160 2HB CYS 29 3HB CYS 29 3.876 -1.901 -4.859 161 H LEU 30 H LEU 30 2.628 -0.988 -1.874 162 HA LEU 30 HA LEU 30 2.272 -3.753 -2.079 163 1HB LEU 30 2HB LEU 30 2.345 -4.487 0.104 164 2HB LEU 30 3HB LEU 30 3.800 -3.553 -0.066 165 HG LEU 30 HG LEU 30 2.021 -1.666 0.994 166 HA PRO 31 HA PRO 31 -1.886 -2.275 -2.517 167 1HB PRO 31 2HB PRO 31 -2.800 -4.002 -0.234 168 2HB PRO 31 3HB PRO 31 -3.467 -3.843 -1.881 169 1HG PRO 31 2HG PRO 31 -1.932 -5.983 -1.190 170 2HG PRO 31 3HG PRO 31 -1.722 -5.212 -2.790 171 1HD PRO 31 2HD PRO 31 -0.018 -4.936 -0.345 172 2HD PRO 31 3HD PRO 31 0.455 -5.012 -2.064 173 H GLN 32 H GLN 32 -0.760 -2.361 0.820 174 HA GLN 32 HA GLN 32 -0.858 -1.182 2.638 175 1HB GLN 32 2HB GLN 32 -0.418 0.806 1.336 176 2HB GLN 32 3HB GLN 32 -2.142 1.046 1.026 177 1HG GLN 32 2HG GLN 32 -1.322 2.536 2.790 178 2HG GLN 32 3HG GLN 32 -2.540 1.435 3.424 179 H THR 33 H THR 33 -3.879 -1.049 0.841 180 HA THR 33 HA THR 33 -5.524 -1.711 3.197 181 HB THR 33 HB THR 33 -6.222 -1.897 0.231 182 H PHE 34 H PHE 34 -3.851 -3.332 3.778 183 HA PHE 34 HA PHE 34 -3.494 -5.682 2.123 184 1HB PHE 34 2HB PHE 34 -1.693 -5.059 3.536 185 2HB PHE 34 3HB PHE 34 -2.719 -4.989 4.965 186 HZ PHE 34 HZ PHE 34 -1.482 -10.722 5.147 187 H LEU 35 H LEU 35 -4.917 -5.498 5.426 188 HA LEU 35 HA LEU 35 -6.412 -7.941 4.818 189 1HB LEU 35 2HB LEU 35 -4.851 -7.512 6.862 190 2HB LEU 35 3HB LEU 35 -6.222 -6.682 7.558 191 HG LEU 35 HG LEU 35 -6.051 -8.923 8.373 192 HA PRO 36 HA PRO 36 -10.062 -5.507 6.385 193 1HB PRO 36 2HB PRO 36 -10.094 -2.894 7.093 194 2HB PRO 36 3HB PRO 36 -9.280 -4.103 8.133 195 1HG PRO 36 2HG PRO 36 -8.018 -2.265 6.071 196 2HG PRO 36 3HG PRO 36 -7.493 -2.557 7.759 197 1HD PRO 36 2HD PRO 36 -6.462 -3.859 5.540 198 2HD PRO 36 3HD PRO 36 -6.482 -4.573 7.183 199 H GLY 37 H GLY 37 -11.816 -4.250 5.455 200 1HA GLY 37 3HA GLY 37 -11.383 -2.245 3.465 201 2HA GLY 37 2HA GLY 37 -12.937 -2.901 4.003 202 H CYS 38 H CYS 38 -10.451 -4.976 2.739 203 HA CYS 38 HA CYS 38 -12.013 -5.857 0.454 204 1HB CYS 38 2HB CYS 38 -11.304 -3.644 -0.339 205 2HB CYS 38 3HB CYS 38 -9.611 -4.053 -0.053 206 H ASP 39 H ASP 39 -11.519 -7.561 1.919 207 HA ASP 39 HA ASP 39 -10.408 -9.524 2.533 208 1HB ASP 39 2HB ASP 39 -10.469 -9.418 -0.499 209 2HB ASP 39 3HB ASP 39 -10.278 -10.896 0.452 No H/Q in entry = 209
Contact the webmaster for help, if required. Sunday, May 12, 2024 4:25:48 PM GMT (wattos1)