NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22006 | 2iwj | 7342 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 23 2H ARG 23 -2.079 1.163 -3.628 2 H2 ARG 23 1H ARG 23 -3.457 0.855 -4.446 3 H3 ARG 23 3H ARG 23 -1.991 0.756 -5.219 4 HA ARG 23 HA ARG 23 -1.629 3.109 -5.029 5 1HB ARG 23 1HB ARG 23 -4.407 2.464 -6.108 6 2HB ARG 23 2HB ARG 23 -3.527 3.945 -6.450 7 1HG ARG 23 1HG ARG 23 -1.827 2.823 -7.709 8 2HG ARG 23 2HG ARG 23 -2.405 1.223 -7.224 9 1HD ARG 23 1HD ARG 23 -4.047 3.159 -8.889 10 2HD ARG 23 2HD ARG 23 -3.050 1.838 -9.536 11 HE ARG 23 HE ARG 23 -4.879 0.921 -7.464 12 1HH1 ARG 23 2HH1 ARG 23 -4.884 1.544 -10.920 13 2HH1 ARG 23 1HH1 ARG 23 -6.186 0.407 -11.163 14 1HH2 ARG 23 1HH2 ARG 23 -6.361 -0.374 -7.784 15 2HH2 ARG 23 2HH2 ARG 23 -7.054 -0.696 -9.378 16 H ALA 24 H ALA 24 -3.165 5.242 -4.746 17 HA ALA 24 HA ALA 24 -3.830 6.704 -3.121 18 1HB ALA 24 3HB ALA 24 -5.855 5.946 -4.235 19 2HB ALA 24 2HB ALA 24 -6.183 6.358 -2.542 20 3HB ALA 24 1HB ALA 24 -6.068 4.655 -3.035 21 HA PRO 25 HA PRO 25 -2.170 3.955 0.289 22 1HB PRO 25 1HB PRO 25 0.026 5.416 1.081 23 2HB PRO 25 2HB PRO 25 0.009 4.341 -0.349 24 1HG PRO 25 1HG PRO 25 -0.466 7.335 -0.303 25 2HG PRO 25 2HG PRO 25 0.676 6.414 -1.334 26 1HD PRO 25 1HD PRO 25 -1.749 7.100 -2.273 27 2HD PRO 25 2HD PRO 25 -1.095 5.466 -2.604 28 H ARG 26 H ARG 26 -3.126 7.302 0.440 29 HA ARG 26 HA ARG 26 -2.772 8.030 3.082 30 1HB ARG 26 1HB ARG 26 -3.531 9.545 1.333 31 2HB ARG 26 2HB ARG 26 -5.054 8.674 1.170 32 1HG ARG 26 1HG ARG 26 -5.366 10.783 2.356 33 2HG ARG 26 2HG ARG 26 -5.786 9.419 3.379 34 1HD ARG 26 1HD ARG 26 -3.446 9.640 4.437 35 2HD ARG 26 2HD ARG 26 -3.254 11.111 3.492 36 HE ARG 26 HE ARG 26 -4.741 12.226 4.899 37 1HH1 ARG 26 1HH2 ARG 26 -4.938 8.796 5.720 38 2HH1 ARG 26 2HH2 ARG 26 -5.778 9.138 7.211 39 1HH2 ARG 26 1HH1 ARG 26 -5.850 12.542 6.788 40 2HH2 ARG 26 2HH1 ARG 26 -6.296 11.185 7.779 41 H ARG 27 H ARG 27 -5.235 5.762 1.990 42 HA ARG 27 HA ARG 27 -6.820 5.847 4.400 43 1HB ARG 27 1HB ARG 27 -8.004 3.977 3.555 44 2HB ARG 27 2HB ARG 27 -7.680 5.105 2.249 45 1HG ARG 27 1HG ARG 27 -5.760 3.565 1.528 46 2HG ARG 27 2HG ARG 27 -6.355 2.399 2.730 47 1HD ARG 27 1HD ARG 27 -8.633 2.542 1.661 48 2HD ARG 27 2HD ARG 27 -7.966 3.592 0.415 49 HE ARG 27 HE ARG 27 -7.873 0.726 0.514 50 1HH1 ARG 27 2HH2 ARG 27 -5.801 3.371 -0.581 51 2HH1 ARG 27 1HH2 ARG 27 -5.161 2.400 -1.864 52 1HH2 ARG 27 2HH1 ARG 27 -7.114 -0.337 -1.285 53 2HH2 ARG 27 1HH1 ARG 27 -5.951 0.455 -2.339 54 H GLN 28 H GLN 28 -3.730 4.537 4.036 55 HA GLN 28 HA GLN 28 -3.929 3.453 6.807 56 1HB GLN 28 1HB GLN 28 -4.176 1.633 4.979 57 2HB GLN 28 2HB GLN 28 -2.487 1.955 4.593 58 1HG GLN 28 1HG GLN 28 -2.077 1.422 7.153 59 2HG GLN 28 2HG GLN 28 -3.702 0.751 7.102 60 1HE2 GLN 28 2HE2 GLN 28 -4.018 -1.233 5.801 61 2HE2 GLN 28 1HE2 GLN 28 -2.617 -2.134 5.248 62 H GLY 29 H GLY 29 -2.114 5.198 4.412 63 1HA GLY 29 2HA GLY 29 0.294 5.615 6.024 64 2HA GLY 29 1HA GLY 29 0.006 6.099 4.346 65 H CYS 30 H CYS 30 -0.881 3.212 3.830 66 HA CYS 30 HA CYS 30 -0.260 1.094 3.590 67 1HB CYS 30 1HB CYS 30 1.760 2.753 2.094 68 2HB CYS 30 2HB CYS 30 1.822 0.985 2.008 69 H TRP 31 H TRP 31 1.037 2.202 6.193 70 HA TRP 31 HA TRP 31 3.624 1.122 6.388 71 1HB TRP 31 1HB TRP 31 2.540 2.852 7.854 72 2HB TRP 31 2HB TRP 31 1.706 1.546 8.695 73 HD1 TRP 31 HD1 TRP 31 2.936 0.767 10.791 74 HE1 TRP 31 HE1 TRP 31 5.348 0.752 11.675 75 HE3 TRP 31 HE3 TRP 31 5.302 2.840 6.742 76 HZ2 TRP 31 HZ2 TRP 31 7.973 1.489 10.727 77 HZ3 TRP 31 HZ3 TRP 31 7.771 3.151 6.755 78 HH2 TRP 31 HH2 TRP 31 9.110 2.480 8.735 79 H LYS 32 H LYS 32 0.662 -0.655 6.588 80 HA LYS 32 HA LYS 32 2.168 -3.123 7.388 81 1HB LYS 32 1HB LYS 32 0.370 -2.528 8.967 82 2HB LYS 32 2HB LYS 32 -0.793 -2.459 7.646 83 1HG LYS 32 1HG LYS 32 -1.112 -4.518 8.831 84 2HG LYS 32 2HG LYS 32 -0.495 -4.884 7.238 85 1HD LYS 32 1HD LYS 32 1.882 -4.846 8.651 86 2HD LYS 32 2HD LYS 32 0.756 -5.226 9.946 87 1HE LYS 32 1HE LYS 32 1.394 -7.340 9.150 88 2HE LYS 32 2HE LYS 32 -0.171 -7.067 8.379 89 1HZ LYS 32 3HZ LYS 32 1.165 -6.231 6.400 90 2HZ LYS 32 1HZ LYS 32 2.513 -6.763 7.139 91 3HZ LYS 32 2HZ LYS 32 1.358 -7.833 6.713 92 H CYS 33 H CYS 33 0.206 -1.644 4.908 93 HA CYS 33 HA CYS 33 -0.180 -3.802 3.106 94 1HB CYS 33 1HB CYS 33 -1.230 -1.609 2.913 95 2HB CYS 33 2HB CYS 33 0.348 -0.825 2.774 96 H GLY 34 H GLY 34 2.597 -1.586 3.519 97 1HA GLY 34 2HA GLY 34 4.326 -3.243 1.744 98 2HA GLY 34 1HA GLY 34 4.697 -3.207 3.465 99 H LYS 35 H LYS 35 3.864 -0.144 3.382 100 HA LYS 35 HA LYS 35 5.425 1.276 1.571 101 1HB LYS 35 1HB LYS 35 3.657 2.155 3.039 102 2HB LYS 35 2HB LYS 35 4.727 2.100 4.426 103 1HG LYS 35 1HG LYS 35 5.648 3.602 1.976 104 2HG LYS 35 2HG LYS 35 4.299 4.290 2.861 105 1HD LYS 35 1HD LYS 35 5.503 4.684 4.802 106 2HD LYS 35 2HD LYS 35 6.768 3.512 4.437 107 1HE LYS 35 1HE LYS 35 6.329 5.987 2.726 108 2HE LYS 35 2HE LYS 35 7.320 6.038 4.188 109 1HZ LYS 35 2HZ LYS 35 7.846 4.118 1.984 110 2HZ LYS 35 3HZ LYS 35 8.605 5.569 2.116 111 3HZ LYS 35 1HZ LYS 35 8.799 4.421 3.260 112 H THR 36 H THR 36 6.718 -0.492 4.210 113 HA THR 36 HA THR 36 9.278 0.734 4.555 114 HB THR 36 HB THR 36 9.960 -1.576 5.270 115 HG1 THR 36 HG1 THR 36 8.342 -3.138 5.327 116 1HG2 THR 36 1HG2 THR 36 8.889 0.010 6.874 117 2HG2 THR 36 2HG2 THR 36 7.295 -0.651 6.450 118 3HG2 THR 36 3HG2 THR 36 8.510 -1.682 7.233 119 H GLY 37 H GLY 37 8.013 -1.072 1.814 120 1HA GLY 37 2HA GLY 37 10.381 -2.002 0.609 121 2HA GLY 37 1HA GLY 37 10.300 -0.282 0.238 122 H HIS 38 H HIS 38 7.084 -1.432 0.254 123 HA HIS 38 HA HIS 38 7.012 -2.739 -2.288 124 1HB HIS 38 1HB HIS 38 4.731 -2.897 -2.012 125 2HB HIS 38 2HB HIS 38 5.343 -2.943 -0.381 126 HD1 HIS 38 HD1 HIS 38 5.288 0.652 -1.070 127 HD2 HIS 38 HD2 HIS 38 2.405 -2.360 -0.539 128 HE1 HIS 38 HE1 HIS 38 3.106 1.840 -0.488 129 H VAL 39 H VAL 39 5.381 -1.965 -3.989 130 HA VAL 39 HA VAL 39 5.867 0.884 -4.790 131 HB VAL 39 HB VAL 39 5.556 -1.542 -6.609 132 1HG1 VAL 39 1HG1 VAL 39 6.202 1.374 -7.248 133 2HG1 VAL 39 2HG1 VAL 39 6.264 0.030 -8.406 134 3HG1 VAL 39 3HG1 VAL 39 4.722 0.497 -7.708 135 1HG2 VAL 39 3HG2 VAL 39 8.036 0.111 -5.950 136 2HG2 VAL 39 1HG2 VAL 39 7.770 -1.597 -5.536 137 3HG2 VAL 39 2HG2 VAL 39 7.932 -1.124 -7.225 138 H MET 40 H MET 40 4.065 1.989 -5.639 139 HA MET 40 HA MET 40 1.590 1.342 -4.437 140 1HB MET 40 1HB MET 40 2.220 3.346 -6.637 141 2HB MET 40 2HB MET 40 0.705 3.292 -5.728 142 1HG MET 40 1HG MET 40 3.465 3.763 -4.543 143 2HG MET 40 2HG MET 40 2.231 4.985 -4.824 144 1HE MET 40 3HE MET 40 2.871 5.661 -2.267 145 2HE MET 40 1HE MET 40 2.621 4.577 -0.880 146 3HE MET 40 2HE MET 40 3.898 4.224 -2.065 147 H ALA 41 H ALA 41 2.727 0.146 -7.452 148 HA ALA 41 HA ALA 41 0.047 -0.688 -8.376 149 1HB ALA 41 3HB ALA 41 1.740 0.125 -9.982 150 2HB ALA 41 1HB ALA 41 2.839 -1.189 -9.499 151 3HB ALA 41 2HB ALA 41 1.298 -1.561 -10.302 152 H LYS 42 H LYS 42 2.462 -1.958 -6.276 153 HA LYS 42 HA LYS 42 1.469 -4.774 -6.470 154 1HB LYS 42 1HB LYS 42 3.926 -4.331 -6.400 155 2HB LYS 42 2HB LYS 42 3.734 -3.519 -4.852 156 1HG LYS 42 1HG LYS 42 4.619 -5.752 -4.573 157 2HG LYS 42 2HG LYS 42 3.049 -5.624 -3.782 158 1HD LYS 42 1HD LYS 42 1.968 -6.928 -5.488 159 2HD LYS 42 2HD LYS 42 3.361 -6.779 -6.587 160 1HE LYS 42 1HE LYS 42 4.761 -8.094 -5.074 161 2HE LYS 42 2HE LYS 42 3.456 -8.182 -3.884 162 1HZ LYS 42 3HZ LYS 42 3.237 -9.329 -6.613 163 2HZ LYS 42 1HZ LYS 42 3.647 -10.194 -5.288 164 3HZ LYS 42 2HZ LYS 42 2.170 -9.519 -5.371 165 H CYS 43 H CYS 43 1.569 -1.974 -4.361 166 HA CYS 43 HA CYS 43 0.341 -2.571 -2.041 167 1HB CYS 43 1HB CYS 43 1.123 -0.409 -2.753 168 2HB CYS 43 2HB CYS 43 -0.084 -0.322 -4.022 169 HA PRO 44 HA PRO 44 -4.192 -2.564 -3.899 170 1HB PRO 44 1HB PRO 44 -3.691 -4.080 -6.450 171 2HB PRO 44 2HB PRO 44 -4.914 -2.819 -6.107 172 1HG PRO 44 1HG PRO 44 -2.684 -2.228 -7.538 173 2HG PRO 44 2HG PRO 44 -3.270 -1.085 -6.289 174 1HD PRO 44 1HD PRO 44 -1.104 -3.163 -6.055 175 2HD PRO 44 2HD PRO 44 -1.051 -1.449 -5.561 176 H GLU 45 H GLU 45 -1.846 -5.164 -4.307 177 HA GLU 45 HA GLU 45 -3.477 -7.475 -3.998 178 1HB GLU 45 1HB GLU 45 -1.113 -7.333 -4.773 179 2HB GLU 45 2HB GLU 45 -0.624 -6.904 -3.134 180 1HG GLU 45 1HG GLU 45 -1.334 -9.129 -2.325 181 2HG GLU 45 2HG GLU 45 -1.836 -9.558 -3.973 182 H ARG 46 H ARG 46 -2.495 -5.085 -1.626 183 HA ARG 46 HA ARG 46 -3.302 -6.863 0.658 184 1HB ARG 46 1HB ARG 46 -1.528 -4.396 0.731 185 2HB ARG 46 2HB ARG 46 -1.875 -5.502 2.052 186 1HG ARG 46 1HG ARG 46 0.141 -6.359 1.480 187 2HG ARG 46 2HG ARG 46 -0.844 -7.311 0.370 188 1HD ARG 46 1HD ARG 46 -0.358 -5.446 -1.374 189 2HD ARG 46 2HD ARG 46 0.822 -4.821 -0.237 190 HE ARG 46 HE ARG 46 0.960 -7.340 -1.809 191 1HH1 ARG 46 1HH2 ARG 46 2.559 -5.568 0.798 192 2HH1 ARG 46 2HH2 ARG 46 3.988 -6.559 0.632 193 1HH2 ARG 46 2HH1 ARG 46 2.606 -8.533 -1.851 194 2HH2 ARG 46 1HH1 ARG 46 4.037 -8.246 -0.853 195 H GLN 47 H GLN 47 -4.375 -4.151 -1.066 196 HA GLN 47 HA GLN 47 -6.260 -3.384 1.130 197 1HB GLN 47 1HB GLN 47 -4.686 -1.447 -0.608 198 2HB GLN 47 2HB GLN 47 -5.856 -1.037 0.661 199 1HG GLN 47 1HG GLN 47 -4.354 -2.127 2.343 200 2HG GLN 47 2HG GLN 47 -3.132 -2.285 1.066 201 1HE2 GLN 47 1HE2 GLN 47 -2.712 -0.083 -0.184 202 2HE2 GLN 47 2HE2 GLN 47 -2.521 1.271 0.903 203 H ALA 48 H ALA 48 -6.340 -4.702 -1.792 204 HA ALA 48 HA ALA 48 -7.693 -4.777 -3.571 205 1HB ALA 48 1HB ALA 48 -9.116 -5.550 -1.711 206 2HB ALA 48 2HB ALA 48 -9.770 -3.906 -1.529 207 3HB ALA 48 3HB ALA 48 -10.066 -4.827 -3.020 208 H GLY 49 H GLY 49 -6.329 -2.229 -3.474 209 1HA GLY 49 2HA GLY 49 -7.805 0.084 -3.985 210 2HA GLY 49 1HA GLY 49 -7.782 -0.775 -5.523 No H/Q in entry = 210 Start of MODEL 2 1 H1 ARG 23 1H ARG 23 -9.704 0.940 0.206 2 H2 ARG 23 3H ARG 23 -11.282 0.519 0.331 3 H3 ARG 23 2H ARG 23 -10.640 0.864 -1.133 4 HA ARG 23 HA ARG 23 -11.835 2.736 -0.682 5 1HB ARG 23 1HB ARG 23 -11.892 3.919 1.434 6 2HB ARG 23 2HB ARG 23 -12.482 2.280 1.519 7 1HG ARG 23 1HG ARG 23 -9.928 1.842 2.409 8 2HG ARG 23 2HG ARG 23 -10.124 3.537 2.872 9 1HD ARG 23 1HD ARG 23 -10.804 2.218 4.743 10 2HD ARG 23 2HD ARG 23 -12.287 2.880 4.025 11 HE ARG 23 HE ARG 23 -11.589 0.277 2.910 12 1HH1 ARG 23 1HH1 ARG 23 -13.241 1.605 5.709 13 2HH1 ARG 23 2HH1 ARG 23 -14.200 0.158 5.886 14 1HH2 ARG 23 2HH2 ARG 23 -12.748 -1.381 3.141 15 2HH2 ARG 23 1HH2 ARG 23 -13.920 -1.551 4.441 16 H ALA 24 H ALA 24 -9.035 3.672 1.316 17 HA ALA 24 HA ALA 24 -7.435 4.427 -1.018 18 1HB ALA 24 1HB ALA 24 -8.523 6.474 0.987 19 2HB ALA 24 3HB ALA 24 -8.932 6.380 -0.740 20 3HB ALA 24 2HB ALA 24 -7.286 6.807 -0.247 21 HA PRO 25 HA PRO 25 -4.413 2.992 1.715 22 1HB PRO 25 1HB PRO 25 -2.087 4.372 1.066 23 2HB PRO 25 2HB PRO 25 -2.838 3.090 0.070 24 1HG PRO 25 1HG PRO 25 -3.155 6.088 -0.205 25 2HG PRO 25 2HG PRO 25 -2.818 4.883 -1.490 26 1HD PRO 25 1HD PRO 25 -5.323 5.800 -1.065 27 2HD PRO 25 2HD PRO 25 -5.047 4.071 -1.434 28 H ARG 26 H ARG 26 -4.878 6.449 1.926 29 HA ARG 26 HA ARG 26 -3.478 7.069 4.298 30 1HB ARG 26 1HB ARG 26 -4.901 8.988 4.480 31 2HB ARG 26 2HB ARG 26 -4.475 8.726 2.793 32 1HG ARG 26 1HG ARG 26 -6.714 7.682 2.395 33 2HG ARG 26 2HG ARG 26 -7.158 7.993 4.078 34 1HD ARG 26 1HD ARG 26 -6.388 10.117 2.034 35 2HD ARG 26 2HD ARG 26 -8.048 9.682 2.476 36 HE ARG 26 HE ARG 26 -6.834 10.306 4.899 37 1HH1 ARG 26 1HH2 ARG 26 -7.441 12.107 1.956 38 2HH1 ARG 26 2HH2 ARG 26 -7.477 13.635 2.793 39 1HH2 ARG 26 1HH1 ARG 26 -6.879 12.286 5.900 40 2HH2 ARG 26 2HH1 ARG 26 -7.173 13.724 4.968 41 H ARG 27 H ARG 27 -6.275 5.037 4.072 42 HA ARG 27 HA ARG 27 -7.157 5.210 6.812 43 1HB ARG 27 1HB ARG 27 -8.428 3.259 6.373 44 2HB ARG 27 2HB ARG 27 -8.444 4.241 4.925 45 1HG ARG 27 1HG ARG 27 -8.040 2.287 3.884 46 2HG ARG 27 2HG ARG 27 -6.355 2.606 4.277 47 1HD ARG 27 1HD ARG 27 -6.524 1.141 6.251 48 2HD ARG 27 2HD ARG 27 -8.253 0.945 6.000 49 HE ARG 27 HE ARG 27 -6.081 -0.106 4.206 50 1HH1 ARG 27 2HH2 ARG 27 -9.553 -0.167 4.933 51 2HH1 ARG 27 1HH2 ARG 27 -9.767 -1.447 3.729 52 1HH2 ARG 27 2HH1 ARG 27 -6.556 -1.954 2.999 53 2HH2 ARG 27 1HH1 ARG 27 -8.272 -2.351 2.789 54 H GLN 28 H GLN 28 -4.268 3.917 5.556 55 HA GLN 28 HA GLN 28 -3.572 2.748 8.226 56 1HB GLN 28 1HB GLN 28 -4.276 1.072 6.335 57 2HB GLN 28 2HB GLN 28 -2.752 1.523 5.582 58 1HG GLN 28 1HG GLN 28 -1.657 0.803 7.846 59 2HG GLN 28 2HG GLN 28 -3.222 0.071 8.206 60 1HE2 GLN 28 2HE2 GLN 28 -3.862 -1.826 6.900 61 2HE2 GLN 28 1HE2 GLN 28 -2.696 -2.587 5.831 62 H GLY 29 H GLY 29 -2.567 4.641 5.436 63 1HA GLY 29 2HA GLY 29 0.001 5.427 6.545 64 2HA GLY 29 1HA GLY 29 -0.618 5.749 4.917 65 H CYS 30 H CYS 30 -1.101 2.848 4.488 66 HA CYS 30 HA CYS 30 -0.279 0.889 3.947 67 1HB CYS 30 1HB CYS 30 1.775 2.756 2.741 68 2HB CYS 30 2HB CYS 30 1.816 1.016 2.438 69 H TRP 31 H TRP 31 0.867 1.879 6.668 70 HA TRP 31 HA TRP 31 3.462 0.925 6.994 71 1HB TRP 31 1HB TRP 31 2.223 2.363 8.560 72 2HB TRP 31 2HB TRP 31 1.227 0.993 9.040 73 HD1 TRP 31 HD1 TRP 31 1.938 0.139 11.301 74 HE1 TRP 31 HE1 TRP 31 4.123 -0.206 12.604 75 HE3 TRP 31 HE3 TRP 31 5.255 2.011 7.858 76 HZ2 TRP 31 HZ2 TRP 31 6.944 0.217 12.188 77 HZ3 TRP 31 HZ3 TRP 31 7.691 2.000 8.335 78 HH2 TRP 31 HH2 TRP 31 8.547 1.107 10.489 79 H LYS 32 H LYS 32 0.651 -1.100 6.725 80 HA LYS 32 HA LYS 32 2.368 -3.510 7.189 81 1HB LYS 32 1HB LYS 32 0.587 -3.221 8.911 82 2HB LYS 32 2HB LYS 32 -0.619 -3.202 7.638 83 1HG LYS 32 1HG LYS 32 -0.763 -5.306 8.584 84 2HG LYS 32 2HG LYS 32 0.037 -5.593 7.063 85 1HD LYS 32 1HD LYS 32 1.378 -5.421 9.805 86 2HD LYS 32 2HD LYS 32 0.896 -6.911 9.020 87 1HE LYS 32 1HE LYS 32 3.096 -5.021 8.095 88 2HE LYS 32 2HE LYS 32 3.291 -6.583 8.871 89 1HZ LYS 32 2HZ LYS 32 2.175 -7.603 6.928 90 2HZ LYS 32 3HZ LYS 32 2.126 -6.143 6.172 91 3HZ LYS 32 1HZ LYS 32 3.558 -6.844 6.512 92 H CYS 33 H CYS 33 0.169 -1.889 5.013 93 HA CYS 33 HA CYS 33 -0.191 -3.794 2.972 94 1HB CYS 33 1HB CYS 33 -1.294 -1.622 3.070 95 2HB CYS 33 2HB CYS 33 0.277 -0.804 2.974 96 H GLY 34 H GLY 34 2.603 -1.670 3.644 97 1HA GLY 34 2HA GLY 34 4.244 -3.031 1.545 98 2HA GLY 34 1HA GLY 34 4.696 -3.211 3.233 99 H LYS 35 H LYS 35 3.886 -0.235 3.688 100 HA LYS 35 HA LYS 35 5.165 1.641 2.172 101 1HB LYS 35 1HB LYS 35 3.836 1.937 4.298 102 2HB LYS 35 2HB LYS 35 5.291 1.529 5.212 103 1HG LYS 35 1HG LYS 35 6.377 3.571 4.026 104 2HG LYS 35 2HG LYS 35 4.750 3.925 3.423 105 1HD LYS 35 1HD LYS 35 4.073 3.741 5.987 106 2HD LYS 35 2HD LYS 35 5.803 3.874 6.277 107 1HE LYS 35 1HE LYS 35 4.841 6.054 6.496 108 2HE LYS 35 2HE LYS 35 5.828 6.051 5.031 109 1HZ LYS 35 1HZ LYS 35 2.895 5.571 5.001 110 2HZ LYS 35 2HZ LYS 35 3.545 7.073 4.808 111 3HZ LYS 35 3HZ LYS 35 3.842 5.899 3.713 112 H THR 36 H THR 36 6.852 -0.597 4.272 113 HA THR 36 HA THR 36 9.426 0.583 4.422 114 HB THR 36 HB THR 36 10.168 -1.751 4.942 115 HG1 THR 36 HG1 THR 36 8.576 -3.341 5.001 116 1HG2 THR 36 3HG2 THR 36 9.168 -0.280 6.709 117 2HG2 THR 36 1HG2 THR 36 7.571 -0.977 6.360 118 3HG2 THR 36 2HG2 THR 36 8.875 -2.004 6.989 119 H GLY 37 H GLY 37 7.954 -0.968 1.638 120 1HA GLY 37 2HA GLY 37 10.294 -1.853 0.284 121 2HA GLY 37 1HA GLY 37 10.140 -0.126 -0.016 122 H HIS 38 H HIS 38 6.954 -1.260 0.100 123 HA HIS 38 HA HIS 38 6.774 -2.544 -2.458 124 1HB HIS 38 1HB HIS 38 4.472 -2.618 -2.109 125 2HB HIS 38 2HB HIS 38 5.193 -2.813 -0.531 126 HD1 HIS 38 HD1 HIS 38 5.311 0.800 -0.865 127 HD2 HIS 38 HD2 HIS 38 2.279 -2.081 -0.442 128 HE1 HIS 38 HE1 HIS 38 3.264 2.036 0.022 129 H VAL 39 H VAL 39 5.014 -1.697 -4.035 130 HA VAL 39 HA VAL 39 5.509 1.118 -4.884 131 HB VAL 39 HB VAL 39 5.791 0.278 -7.225 132 1HG1 VAL 39 2HG1 VAL 39 7.737 0.970 -5.874 133 2HG1 VAL 39 3HG1 VAL 39 7.947 -0.706 -5.322 134 3HG1 VAL 39 1HG1 VAL 39 8.136 -0.304 -7.039 135 1HG2 VAL 39 2HG2 VAL 39 4.835 -2.030 -6.890 136 2HG2 VAL 39 3HG2 VAL 39 6.415 -2.009 -7.687 137 3HG2 VAL 39 1HG2 VAL 39 6.296 -2.458 -5.978 138 H MET 40 H MET 40 4.020 1.772 -6.668 139 HA MET 40 HA MET 40 1.308 1.395 -6.039 140 1HB MET 40 1HB MET 40 0.823 2.660 -8.013 141 2HB MET 40 2HB MET 40 2.229 3.353 -7.217 142 1HG MET 40 1HG MET 40 2.307 1.543 -9.671 143 2HG MET 40 2HG MET 40 2.377 3.296 -9.699 144 1HE MET 40 1HE MET 40 4.492 3.002 -11.319 145 2HE MET 40 2HE MET 40 5.960 2.114 -10.857 146 3HE MET 40 3HE MET 40 4.439 1.234 -11.121 147 H ALA 41 H ALA 41 3.289 -0.616 -8.116 148 HA ALA 41 HA ALA 41 1.084 -2.022 -9.385 149 1HB ALA 41 1HB ALA 41 3.338 -1.784 -10.390 150 2HB ALA 41 2HB ALA 41 4.028 -2.763 -9.076 151 3HB ALA 41 3HB ALA 41 2.872 -3.483 -10.212 152 H LYS 42 H LYS 42 2.153 -2.118 -6.183 153 HA LYS 42 HA LYS 42 1.141 -4.906 -5.724 154 1HB LYS 42 1HB LYS 42 3.782 -4.317 -5.715 155 2HB LYS 42 2HB LYS 42 3.405 -3.754 -4.097 156 1HG LYS 42 1HG LYS 42 4.118 -5.973 -3.816 157 2HG LYS 42 2HG LYS 42 2.359 -6.092 -3.694 158 1HD LYS 42 1HD LYS 42 2.278 -6.838 -6.102 159 2HD LYS 42 2HD LYS 42 4.028 -6.634 -6.199 160 1HE LYS 42 1HE LYS 42 3.743 -8.936 -5.904 161 2HE LYS 42 2HE LYS 42 4.248 -8.339 -4.319 162 1HZ LYS 42 2HZ LYS 42 1.429 -8.909 -5.117 163 2HZ LYS 42 3HZ LYS 42 2.350 -9.872 -4.144 164 3HZ LYS 42 1HZ LYS 42 1.844 -8.372 -3.683 165 H CYS 43 H CYS 43 1.368 -1.631 -4.490 166 HA CYS 43 HA CYS 43 0.327 -1.936 -1.924 167 1HB CYS 43 1HB CYS 43 1.448 0.037 -2.736 168 2HB CYS 43 2HB CYS 43 0.210 0.332 -3.948 169 HA PRO 44 HA PRO 44 -4.161 -1.045 -3.700 170 1HB PRO 44 1HB PRO 44 -3.975 -2.816 -6.143 171 2HB PRO 44 2HB PRO 44 -5.018 -1.384 -5.865 172 1HG PRO 44 1HG PRO 44 -2.756 -1.137 -7.325 173 2HG PRO 44 2HG PRO 44 -3.155 0.103 -6.090 174 1HD PRO 44 1HD PRO 44 -1.223 -2.211 -5.878 175 2HD PRO 44 2HD PRO 44 -1.023 -0.512 -5.362 176 H GLU 45 H GLU 45 -2.538 -4.157 -3.999 177 HA GLU 45 HA GLU 45 -4.549 -6.050 -3.651 178 1HB GLU 45 1HB GLU 45 -1.769 -5.960 -2.454 179 2HB GLU 45 2HB GLU 45 -2.748 -7.426 -2.615 180 1HG GLU 45 1HG GLU 45 -2.690 -7.203 -5.073 181 2HG GLU 45 2HG GLU 45 -1.692 -5.749 -4.934 182 H ARG 46 H ARG 46 -3.267 -3.890 -1.188 183 HA ARG 46 HA ARG 46 -4.982 -5.164 0.934 184 1HB ARG 46 1HB ARG 46 -2.134 -4.120 1.047 185 2HB ARG 46 2HB ARG 46 -3.095 -4.343 2.509 186 1HG ARG 46 1HG ARG 46 -3.337 -6.688 2.173 187 2HG ARG 46 2HG ARG 46 -2.710 -6.619 0.534 188 1HD ARG 46 1HD ARG 46 -1.103 -6.063 3.060 189 2HD ARG 46 2HD ARG 46 -1.066 -7.564 2.136 190 HE ARG 46 HE ARG 46 0.379 -5.129 1.549 191 1HH1 ARG 46 2HH2 ARG 46 -0.909 -7.935 -0.131 192 2HH1 ARG 46 1HH2 ARG 46 -0.163 -7.434 -1.643 193 1HH2 ARG 46 2HH1 ARG 46 1.255 -4.617 -0.313 194 2HH2 ARG 46 1HH1 ARG 46 0.850 -5.503 -1.779 195 H GLN 47 H GLN 47 -5.071 -2.612 -0.962 196 HA GLN 47 HA GLN 47 -6.181 -0.795 1.148 197 1HB GLN 47 1HB GLN 47 -4.381 0.019 -1.152 198 2HB GLN 47 2HB GLN 47 -5.161 1.130 -0.030 199 1HG GLN 47 1HG GLN 47 -3.113 -0.972 0.820 200 2HG GLN 47 2HG GLN 47 -2.733 0.677 0.391 201 1HE2 GLN 47 1HE2 GLN 47 -1.971 1.424 2.389 202 2HE2 GLN 47 2HE2 GLN 47 -3.066 1.558 3.765 203 H ALA 48 H ALA 48 -6.627 -2.136 -2.059 204 HA ALA 48 HA ALA 48 -8.550 -0.304 -3.050 205 1HB ALA 48 2HB ALA 48 -8.267 -3.307 -3.488 206 2HB ALA 48 1HB ALA 48 -7.454 -2.020 -4.411 207 3HB ALA 48 3HB ALA 48 -9.215 -2.193 -4.497 208 H GLY 49 H GLY 49 -8.902 -2.828 -0.612 209 1HA GLY 49 2HA GLY 49 -10.995 -3.759 0.221 210 2HA GLY 49 1HA GLY 49 -11.856 -2.331 -0.347 No H/Q in entry = 210 Start of MODEL 3 1 H1 ARG 23 2H ARG 23 -7.554 6.455 -6.094 2 H2 ARG 23 1H ARG 23 -7.734 4.848 -6.354 3 H3 ARG 23 3H ARG 23 -8.221 5.493 -4.940 4 HA ARG 23 HA ARG 23 -6.187 4.354 -4.539 5 1HB ARG 23 1HB ARG 23 -5.091 6.044 -6.803 6 2HB ARG 23 2HB ARG 23 -4.077 5.193 -5.639 7 1HG ARG 23 1HG ARG 23 -6.134 3.837 -7.438 8 2HG ARG 23 2HG ARG 23 -4.419 3.948 -7.787 9 1HD ARG 23 1HD ARG 23 -5.508 2.584 -5.284 10 2HD ARG 23 2HD ARG 23 -5.218 1.753 -6.804 11 HE ARG 23 HE ARG 23 -2.845 2.444 -6.650 12 1HH1 ARG 23 2HH1 ARG 23 -4.541 2.243 -3.484 13 2HH1 ARG 23 1HH1 ARG 23 -3.013 1.831 -2.743 14 1HH2 ARG 23 1HH2 ARG 23 -1.126 1.788 -5.528 15 2HH2 ARG 23 2HH2 ARG 23 -1.206 1.694 -3.784 16 H ALA 24 H ALA 24 -6.359 5.052 -2.560 17 HA ALA 24 HA ALA 24 -5.214 7.708 -1.836 18 1HB ALA 24 1HB ALA 24 -7.621 8.059 -2.131 19 2HB ALA 24 2HB ALA 24 -7.974 6.731 -1.004 20 3HB ALA 24 3HB ALA 24 -7.164 8.201 -0.425 21 HA PRO 25 HA PRO 25 -3.891 4.023 0.716 22 1HB PRO 25 1HB PRO 25 -1.155 4.506 0.739 23 2HB PRO 25 2HB PRO 25 -2.029 3.574 -0.515 24 1HG PRO 25 1HG PRO 25 -1.228 6.494 -0.572 25 2HG PRO 25 2HG PRO 25 -1.016 5.258 -1.855 26 1HD PRO 25 1HD PRO 25 -3.082 6.999 -1.915 27 2HD PRO 25 2HD PRO 25 -3.319 5.290 -2.391 28 H ARG 26 H ARG 26 -3.500 7.406 1.165 29 HA ARG 26 HA ARG 26 -2.446 7.817 3.695 30 1HB ARG 26 1HB ARG 26 -3.194 9.541 2.108 31 2HB ARG 26 2HB ARG 26 -4.870 9.078 2.358 32 1HG ARG 26 1HG ARG 26 -4.411 11.137 3.474 33 2HG ARG 26 2HG ARG 26 -4.785 9.926 4.686 34 1HD ARG 26 1HD ARG 26 -1.922 10.672 3.942 35 2HD ARG 26 2HD ARG 26 -2.869 11.592 5.124 36 HE ARG 26 HE ARG 26 -3.009 8.864 5.871 37 1HH1 ARG 26 2HH1 ARG 26 -0.618 11.427 5.867 38 2HH1 ARG 26 1HH1 ARG 26 0.255 10.733 7.206 39 1HH2 ARG 26 1HH2 ARG 26 -1.861 8.031 7.540 40 2HH2 ARG 26 2HH2 ARG 26 -0.440 8.845 8.131 41 H ARG 27 H ARG 27 -5.543 6.249 3.034 42 HA ARG 27 HA ARG 27 -6.707 6.300 5.622 43 1HB ARG 27 1HB ARG 27 -8.013 4.426 4.927 44 2HB ARG 27 2HB ARG 27 -7.806 5.495 3.540 45 1HG ARG 27 1HG ARG 27 -6.030 3.978 2.646 46 2HG ARG 27 2HG ARG 27 -6.223 2.932 4.058 47 1HD ARG 27 1HD ARG 27 -7.461 1.863 2.371 48 2HD ARG 27 2HD ARG 27 -8.645 2.616 3.423 49 HE ARG 27 HE ARG 27 -9.284 4.054 1.705 50 1HH1 ARG 27 2HH2 ARG 27 -6.345 2.440 0.662 51 2HH1 ARG 27 1HH2 ARG 27 -6.632 2.823 -1.031 52 1HH2 ARG 27 2HH1 ARG 27 -9.580 4.509 -0.427 53 2HH2 ARG 27 1HH1 ARG 27 -8.420 3.975 -1.618 54 H GLN 28 H GLN 28 -3.877 4.593 4.659 55 HA GLN 28 HA GLN 28 -3.627 3.337 7.372 56 1HB GLN 28 1HB GLN 28 -4.339 1.787 5.397 57 2HB GLN 28 2HB GLN 28 -2.716 2.070 4.776 58 1HG GLN 28 1HG GLN 28 -1.906 1.171 7.106 59 2HG GLN 28 2HG GLN 28 -3.559 0.576 7.268 60 1HE2 GLN 28 2HE2 GLN 28 -4.330 -0.807 5.270 61 2HE2 GLN 28 1HE2 GLN 28 -3.109 -1.796 4.504 62 H GLY 29 H GLY 29 -2.119 5.145 4.771 63 1HA GLY 29 2HA GLY 29 0.425 5.578 6.085 64 2HA GLY 29 1HA GLY 29 0.008 5.932 4.401 65 H CYS 30 H CYS 30 -0.832 3.128 3.921 66 HA CYS 30 HA CYS 30 -0.229 0.995 3.646 67 1HB CYS 30 1HB CYS 30 1.919 2.636 2.309 68 2HB CYS 30 2HB CYS 30 1.935 0.869 2.180 69 H TRP 31 H TRP 31 0.725 1.965 6.331 70 HA TRP 31 HA TRP 31 3.305 0.963 6.836 71 1HB TRP 31 1HB TRP 31 1.669 2.559 8.169 72 2HB TRP 31 2HB TRP 31 1.268 1.087 9.042 73 HD1 TRP 31 HD1 TRP 31 3.150 0.144 10.677 74 HE1 TRP 31 HE1 TRP 31 5.362 1.081 11.587 75 HE3 TRP 31 HE3 TRP 31 3.734 4.096 7.465 76 HZ2 TRP 31 HZ2 TRP 31 7.164 3.260 10.989 77 HZ3 TRP 31 HZ3 TRP 31 5.711 5.593 7.667 78 HH2 TRP 31 HH2 TRP 31 7.429 5.181 9.412 79 H LYS 32 H LYS 32 0.469 -0.902 6.439 80 HA LYS 32 HA LYS 32 1.910 -3.380 7.345 81 1HB LYS 32 1HB LYS 32 -0.083 -2.773 8.717 82 2HB LYS 32 2HB LYS 32 -1.099 -2.898 7.274 83 1HG LYS 32 1HG LYS 32 -0.522 -5.286 7.046 84 2HG LYS 32 2HG LYS 32 0.579 -5.182 8.422 85 1HD LYS 32 1HD LYS 32 -2.440 -4.732 8.481 86 2HD LYS 32 2HD LYS 32 -1.631 -6.214 8.974 87 1HE LYS 32 1HE LYS 32 -1.286 -3.491 10.317 88 2HE LYS 32 2HE LYS 32 -2.349 -4.780 10.878 89 1HZ LYS 32 2HZ LYS 32 -0.388 -6.198 11.175 90 2HZ LYS 32 3HZ LYS 32 0.609 -4.996 10.689 91 3HZ LYS 32 1HZ LYS 32 -0.252 -4.840 12.064 92 H CYS 33 H CYS 33 0.136 -1.789 4.780 93 HA CYS 33 HA CYS 33 -0.016 -3.833 2.835 94 1HB CYS 33 1HB CYS 33 -1.119 -1.635 2.752 95 2HB CYS 33 2HB CYS 33 0.461 -0.842 2.646 96 H GLY 34 H GLY 34 2.694 -1.645 3.627 97 1HA GLY 34 2HA GLY 34 4.515 -3.184 1.808 98 2HA GLY 34 1HA GLY 34 4.837 -3.141 3.537 99 H LYS 35 H LYS 35 3.968 -0.159 3.599 100 HA LYS 35 HA LYS 35 5.379 1.444 1.844 101 1HB LYS 35 1HB LYS 35 3.723 2.172 3.494 102 2HB LYS 35 2HB LYS 35 4.865 1.968 4.809 103 1HG LYS 35 1HG LYS 35 5.663 3.731 2.491 104 2HG LYS 35 2HG LYS 35 4.378 4.319 3.525 105 1HD LYS 35 1HD LYS 35 5.690 4.467 5.427 106 2HD LYS 35 2HD LYS 35 6.928 3.355 4.855 107 1HE LYS 35 1HE LYS 35 6.399 6.026 3.499 108 2HE LYS 35 2HE LYS 35 7.485 5.884 4.885 109 1HZ LYS 35 1HZ LYS 35 7.844 4.278 2.411 110 2HZ LYS 35 2HZ LYS 35 8.631 5.692 2.696 111 3HZ LYS 35 3HZ LYS 35 8.880 4.396 3.655 112 H THR 36 H THR 36 6.887 -0.412 4.349 113 HA THR 36 HA THR 36 9.421 0.852 4.536 114 HB THR 36 HB THR 36 8.560 -0.952 5.988 115 HG1 THR 36 HG1 THR 36 11.086 -1.409 4.791 116 1HG2 THR 36 1HG2 THR 36 7.713 -2.547 4.293 117 2HG2 THR 36 2HG2 THR 36 9.377 -2.872 3.764 118 3HG2 THR 36 3HG2 THR 36 8.862 -3.294 5.408 119 H GLY 37 H GLY 37 8.108 -0.884 1.771 120 1HA GLY 37 2HA GLY 37 10.525 -1.683 0.507 121 2HA GLY 37 1HA GLY 37 10.271 0.016 0.119 122 H HIS 38 H HIS 38 7.151 -1.254 0.234 123 HA HIS 38 HA HIS 38 7.074 -2.716 -2.223 124 1HB HIS 38 1HB HIS 38 4.794 -2.863 -1.913 125 2HB HIS 38 2HB HIS 38 5.441 -2.836 -0.294 126 HD1 HIS 38 HD1 HIS 38 5.424 0.716 -0.966 127 HD2 HIS 38 HD2 HIS 38 2.468 -2.243 -0.589 128 HE1 HIS 38 HE1 HIS 38 3.241 1.939 -0.464 129 H VAL 39 H VAL 39 5.314 -2.035 -3.905 130 HA VAL 39 HA VAL 39 5.886 0.711 -4.963 131 HB VAL 39 HB VAL 39 5.544 -1.852 -6.577 132 1HG1 VAL 39 3HG1 VAL 39 6.312 0.976 -7.434 133 2HG1 VAL 39 1HG1 VAL 39 6.344 -0.459 -8.477 134 3HG1 VAL 39 2HG1 VAL 39 4.808 0.122 -7.855 135 1HG2 VAL 39 3HG2 VAL 39 8.068 -0.241 -5.990 136 2HG2 VAL 39 1HG2 VAL 39 7.730 -1.904 -5.458 137 3HG2 VAL 39 2HG2 VAL 39 7.945 -1.564 -7.172 138 H MET 40 H MET 40 4.139 1.777 -5.933 139 HA MET 40 HA MET 40 1.606 1.259 -4.793 140 1HB MET 40 1HB MET 40 2.469 3.136 -7.016 141 2HB MET 40 2HB MET 40 0.831 3.119 -6.355 142 1HG MET 40 1HG MET 40 3.348 3.610 -4.726 143 2HG MET 40 2HG MET 40 2.238 4.848 -5.307 144 1HE MET 40 2HE MET 40 3.229 4.451 -2.257 145 2HE MET 40 3HE MET 40 2.172 5.783 -2.781 146 3HE MET 40 1HE MET 40 1.717 4.782 -1.384 147 H ALA 41 H ALA 41 2.838 -0.279 -7.580 148 HA ALA 41 HA ALA 41 0.221 -1.014 -8.697 149 1HB ALA 41 2HB ALA 41 2.220 -0.777 -10.125 150 2HB ALA 41 3HB ALA 41 3.039 -2.069 -9.215 151 3HB ALA 41 1HB ALA 41 1.589 -2.433 -10.175 152 H LYS 42 H LYS 42 2.559 -2.424 -6.404 153 HA LYS 42 HA LYS 42 1.162 -4.999 -6.065 154 1HB LYS 42 1HB LYS 42 3.535 -4.862 -5.640 155 2HB LYS 42 2HB LYS 42 3.358 -3.531 -4.511 156 1HG LYS 42 1HG LYS 42 2.104 -6.239 -3.975 157 2HG LYS 42 2HG LYS 42 3.792 -5.923 -3.617 158 1HD LYS 42 1HD LYS 42 3.339 -4.868 -1.690 159 2HD LYS 42 2HD LYS 42 2.169 -3.793 -2.447 160 1HE LYS 42 1HE LYS 42 0.540 -5.782 -2.421 161 2HE LYS 42 2HE LYS 42 1.701 -6.611 -1.389 162 1HZ LYS 42 1HZ LYS 42 0.321 -4.048 -0.714 163 2HZ LYS 42 2HZ LYS 42 -0.011 -5.538 -0.126 164 3HZ LYS 42 3HZ LYS 42 1.415 -4.806 0.249 165 H CYS 43 H CYS 43 1.276 -1.885 -4.507 166 HA CYS 43 HA CYS 43 0.272 -2.189 -2.097 167 1HB CYS 43 1HB CYS 43 1.178 -0.187 -2.953 168 2HB CYS 43 2HB CYS 43 -0.115 -0.020 -4.135 169 HA PRO 44 HA PRO 44 -4.492 -1.767 -3.316 170 1HB PRO 44 1HB PRO 44 -4.312 -3.577 -5.730 171 2HB PRO 44 2HB PRO 44 -5.547 -2.334 -5.342 172 1HG PRO 44 1HG PRO 44 -3.545 -1.728 -7.047 173 2HG PRO 44 2HG PRO 44 -3.989 -0.559 -5.760 174 1HD PRO 44 1HD PRO 44 -1.701 -2.527 -5.808 175 2HD PRO 44 2HD PRO 44 -1.707 -0.818 -5.286 176 H GLU 45 H GLU 45 -2.519 -4.705 -3.584 177 HA GLU 45 HA GLU 45 -4.371 -6.679 -2.759 178 1HB GLU 45 1HB GLU 45 -2.322 -7.250 -3.731 179 2HB GLU 45 2HB GLU 45 -1.375 -6.362 -2.565 180 1HG GLU 45 1HG GLU 45 -3.004 -8.737 -1.631 181 2HG GLU 45 2HG GLU 45 -1.528 -8.989 -2.547 182 H ARG 46 H ARG 46 -2.994 -4.142 -0.781 183 HA ARG 46 HA ARG 46 -4.548 -5.195 1.553 184 1HB ARG 46 1HB ARG 46 -1.649 -4.820 1.380 185 2HB ARG 46 2HB ARG 46 -2.314 -3.819 2.652 186 1HG ARG 46 1HG ARG 46 -3.331 -5.675 3.771 187 2HG ARG 46 2HG ARG 46 -3.019 -6.769 2.417 188 1HD ARG 46 1HD ARG 46 -0.810 -5.433 4.028 189 2HD ARG 46 2HD ARG 46 -1.468 -7.032 4.394 190 HE ARG 46 HE ARG 46 -0.847 -7.135 1.682 191 1HH1 ARG 46 1HH1 ARG 46 1.288 -6.307 4.344 192 2HH1 ARG 46 2HH1 ARG 46 2.558 -7.319 3.711 193 1HH2 ARG 46 1HH2 ARG 46 0.692 -8.406 1.005 194 2HH2 ARG 46 2HH2 ARG 46 2.266 -8.425 1.789 195 H GLN 47 H GLN 47 -4.889 -3.058 -0.566 196 HA GLN 47 HA GLN 47 -5.772 -0.856 1.270 197 1HB GLN 47 1HB GLN 47 -4.025 -0.718 -1.203 198 2HB GLN 47 2HB GLN 47 -4.992 0.666 -0.736 199 1HG GLN 47 1HG GLN 47 -3.077 -0.649 1.246 200 2HG GLN 47 2HG GLN 47 -2.568 0.557 0.088 201 1HE2 GLN 47 1HE2 GLN 47 -1.939 1.854 1.944 202 2HE2 GLN 47 2HE2 GLN 47 -3.183 2.873 2.660 203 H ALA 48 H ALA 48 -6.506 -2.795 -1.526 204 HA ALA 48 HA ALA 48 -8.151 -2.974 -2.969 205 1HB ALA 48 2HB ALA 48 -9.853 -1.593 -0.872 206 2HB ALA 48 3HB ALA 48 -10.422 -2.639 -2.187 207 3HB ALA 48 1HB ALA 48 -9.416 -3.317 -0.894 208 H GLY 49 H GLY 49 -7.382 0.308 -2.235 209 1HA GLY 49 2HA GLY 49 -9.015 1.676 -4.155 210 2HA GLY 49 1HA GLY 49 -7.464 1.238 -4.888 No H/Q in entry = 210 Start of MODEL 4 1 H1 ARG 23 1H ARG 23 -9.206 -1.609 3.373 2 H2 ARG 23 3H ARG 23 -10.449 -1.724 2.295 3 H3 ARG 23 2H ARG 23 -9.150 -2.731 2.194 4 HA ARG 23 HA ARG 23 -7.677 -0.949 1.695 5 1HB ARG 23 1HB ARG 23 -8.831 -2.190 -0.163 6 2HB ARG 23 2HB ARG 23 -10.043 -0.919 -0.204 7 1HG ARG 23 1HG ARG 23 -8.662 -0.233 -1.883 8 2HG ARG 23 2HG ARG 23 -7.962 0.704 -0.576 9 1HD ARG 23 1HD ARG 23 -6.922 -1.989 -1.568 10 2HD ARG 23 2HD ARG 23 -6.347 -0.424 -2.142 11 HE ARG 23 HE ARG 23 -5.982 -0.399 0.670 12 1HH1 ARG 23 1HH2 ARG 23 -4.676 -2.161 -2.053 13 2HH1 ARG 23 2HH2 ARG 23 -3.119 -2.345 -1.277 14 1HH2 ARG 23 2HH1 ARG 23 -4.152 -0.706 1.581 15 2HH2 ARG 23 1HH1 ARG 23 -2.822 -1.570 0.794 16 H ALA 24 H ALA 24 -7.503 0.626 3.114 17 HA ALA 24 HA ALA 24 -8.747 3.229 2.599 18 1HB ALA 24 1HB ALA 24 -10.416 2.238 4.104 19 2HB ALA 24 3HB ALA 24 -9.504 3.493 4.958 20 3HB ALA 24 2HB ALA 24 -9.148 1.778 5.260 21 HA PRO 25 HA PRO 25 -4.270 2.639 3.847 22 1HB PRO 25 1HB PRO 25 -3.063 4.267 1.964 23 2HB PRO 25 2HB PRO 25 -3.490 2.547 1.717 24 1HG PRO 25 1HG PRO 25 -5.082 4.993 0.906 25 2HG PRO 25 2HG PRO 25 -4.690 3.545 -0.078 26 1HD PRO 25 1HD PRO 25 -7.086 3.798 1.155 27 2HD PRO 25 2HD PRO 25 -6.254 2.213 1.101 28 H ARG 26 H ARG 26 -6.143 5.588 3.438 29 HA ARG 26 HA ARG 26 -4.556 7.523 4.708 30 1HB ARG 26 1HB ARG 26 -6.707 7.953 3.600 31 2HB ARG 26 2HB ARG 26 -7.571 7.094 4.885 32 1HG ARG 26 1HG ARG 26 -6.874 8.781 6.532 33 2HG ARG 26 2HG ARG 26 -5.879 9.600 5.313 34 1HD ARG 26 1HD ARG 26 -7.902 10.160 4.016 35 2HD ARG 26 2HD ARG 26 -8.896 9.219 5.127 36 HE ARG 26 HE ARG 26 -8.850 10.922 6.685 37 1HH1 ARG 26 2HH2 ARG 26 -6.469 11.759 4.247 38 2HH1 ARG 26 1HH2 ARG 26 -6.222 13.349 4.915 39 1HH2 ARG 26 2HH1 ARG 26 -8.480 12.952 7.476 40 2HH2 ARG 26 1HH1 ARG 26 -7.335 14.001 6.691 41 H ARG 27 H ARG 27 -6.428 4.939 6.334 42 HA ARG 27 HA ARG 27 -5.630 6.014 8.980 43 1HB ARG 27 1HB ARG 27 -7.098 4.492 10.000 44 2HB ARG 27 2HB ARG 27 -7.915 5.265 8.665 45 1HG ARG 27 1HG ARG 27 -8.642 3.012 8.788 46 2HG ARG 27 2HG ARG 27 -7.689 3.169 7.324 47 1HD ARG 27 1HD ARG 27 -5.787 2.039 8.430 48 2HD ARG 27 2HD ARG 27 -6.643 2.059 9.967 49 HE ARG 27 HE ARG 27 -7.778 0.162 9.344 50 1HH1 ARG 27 1HH2 ARG 27 -6.619 1.522 6.303 51 2HH1 ARG 27 2HH2 ARG 27 -6.812 -0.025 5.508 52 1HH2 ARG 27 2HH1 ARG 27 -7.882 -1.763 8.180 53 2HH2 ARG 27 1HH1 ARG 27 -7.320 -1.799 6.530 54 H GLN 28 H GLN 28 -3.969 4.239 6.823 55 HA GLN 28 HA GLN 28 -2.512 2.646 8.902 56 1HB GLN 28 1HB GLN 28 -3.993 1.310 7.418 57 2HB GLN 28 2HB GLN 28 -3.163 1.948 6.006 58 1HG GLN 28 1HG GLN 28 -2.469 -0.338 6.534 59 2HG GLN 28 2HG GLN 28 -1.109 0.763 6.637 60 1HE2 GLN 28 2HE2 GLN 28 -0.261 1.295 8.814 61 2HE2 GLN 28 1HE2 GLN 28 -0.613 0.192 10.144 62 H GLY 29 H GLY 29 -2.163 4.953 6.302 63 1HA GLY 29 2HA GLY 29 0.572 5.570 6.705 64 2HA GLY 29 1HA GLY 29 -0.384 5.911 5.253 65 H CYS 30 H CYS 30 -0.949 3.167 4.590 66 HA CYS 30 HA CYS 30 -0.252 1.141 4.001 67 1HB CYS 30 1HB CYS 30 1.496 3.055 2.487 68 2HB CYS 30 2HB CYS 30 1.790 1.326 2.303 69 H TRP 31 H TRP 31 1.273 2.147 6.570 70 HA TRP 31 HA TRP 31 3.849 1.014 6.448 71 1HB TRP 31 1HB TRP 31 2.301 2.406 8.356 72 2HB TRP 31 2HB TRP 31 2.786 0.928 9.159 73 HD1 TRP 31 HD1 TRP 31 5.644 0.439 8.507 74 HE1 TRP 31 HE1 TRP 31 7.562 2.098 8.910 75 HE3 TRP 31 HE3 TRP 31 2.920 4.774 8.798 76 HZ2 TRP 31 HZ2 TRP 31 7.884 4.946 9.240 77 HZ3 TRP 31 HZ3 TRP 31 4.068 6.953 9.168 78 HH2 TRP 31 HH2 TRP 31 6.542 7.049 9.376 79 H LYS 32 H LYS 32 0.853 -0.658 7.061 80 HA LYS 32 HA LYS 32 2.325 -3.227 7.464 81 1HB LYS 32 1HB LYS 32 0.601 -2.552 9.153 82 2HB LYS 32 2HB LYS 32 -0.605 -2.556 7.874 83 1HG LYS 32 1HG LYS 32 -0.929 -4.506 9.093 84 2HG LYS 32 2HG LYS 32 -0.246 -5.033 7.579 85 1HD LYS 32 1HD LYS 32 1.283 -4.721 10.208 86 2HD LYS 32 2HD LYS 32 0.553 -6.216 9.661 87 1HE LYS 32 1HE LYS 32 2.912 -4.792 8.371 88 2HE LYS 32 2HE LYS 32 2.942 -6.266 9.321 89 1HZ LYS 32 2HZ LYS 32 1.539 -7.312 7.580 90 2HZ LYS 32 3HZ LYS 32 1.666 -5.955 6.658 91 3HZ LYS 32 1HZ LYS 32 2.991 -6.839 7.008 92 H CYS 33 H CYS 33 0.377 -1.529 5.150 93 HA CYS 33 HA CYS 33 -0.317 -3.646 3.350 94 1HB CYS 33 1HB CYS 33 -1.272 -1.363 3.357 95 2HB CYS 33 2HB CYS 33 0.320 -0.694 2.945 96 H GLY 34 H GLY 34 2.551 -1.521 3.618 97 1HA GLY 34 2HA GLY 34 4.121 -3.257 1.764 98 2HA GLY 34 1HA GLY 34 4.567 -3.213 3.467 99 H LYS 35 H LYS 35 3.868 -0.111 3.373 100 HA LYS 35 HA LYS 35 5.398 1.227 1.479 101 1HB LYS 35 1HB LYS 35 3.818 2.224 3.123 102 2HB LYS 35 2HB LYS 35 5.045 2.044 4.382 103 1HG LYS 35 1HG LYS 35 6.544 3.598 3.122 104 2HG LYS 35 2HG LYS 35 5.358 3.670 1.808 105 1HD LYS 35 1HD LYS 35 5.182 5.671 3.130 106 2HD LYS 35 2HD LYS 35 3.731 4.697 3.388 107 1HE LYS 35 1HE LYS 35 4.863 3.781 5.502 108 2HE LYS 35 2HE LYS 35 6.158 4.959 5.238 109 1HZ LYS 35 1HZ LYS 35 4.426 6.708 5.385 110 2HZ LYS 35 2HZ LYS 35 3.290 5.549 5.669 111 3HZ LYS 35 3HZ LYS 35 4.488 5.815 6.760 112 H THR 36 H THR 36 6.725 -0.550 4.140 113 HA THR 36 HA THR 36 9.376 0.465 4.287 114 HB THR 36 HB THR 36 9.928 -1.845 5.086 115 HG1 THR 36 HG1 THR 36 8.216 -3.296 5.263 116 1HG2 THR 36 2HG2 THR 36 8.996 -0.115 6.640 117 2HG2 THR 36 3HG2 THR 36 7.360 -0.724 6.310 118 3HG2 THR 36 1HG2 THR 36 8.559 -1.768 7.098 119 H GLY 37 H GLY 37 7.881 -1.268 1.647 120 1HA GLY 37 2HA GLY 37 10.015 -2.454 0.309 121 2HA GLY 37 1HA GLY 37 10.240 -0.729 0.034 122 H HIS 38 H HIS 38 6.859 -1.540 0.131 123 HA HIS 38 HA HIS 38 6.610 -2.488 -2.562 124 1HB HIS 38 1HB HIS 38 4.344 -2.615 -2.202 125 2HB HIS 38 2HB HIS 38 5.026 -2.915 -0.624 126 HD1 HIS 38 HD1 HIS 38 4.937 0.786 -1.045 127 HD2 HIS 38 HD2 HIS 38 2.206 -2.315 -0.263 128 HE1 HIS 38 HE1 HIS 38 2.849 1.891 -0.085 129 H VAL 39 H VAL 39 5.085 -1.465 -4.125 130 HA VAL 39 HA VAL 39 5.371 1.484 -4.480 131 HB VAL 39 HB VAL 39 5.930 -0.641 -6.606 132 1HG1 VAL 39 2HG1 VAL 39 6.040 2.403 -6.780 133 2HG1 VAL 39 3HG1 VAL 39 6.716 1.299 -7.993 134 3HG1 VAL 39 1HG1 VAL 39 4.988 1.307 -7.719 135 1HG2 VAL 39 1HG2 VAL 39 7.836 1.302 -5.229 136 2HG2 VAL 39 2HG2 VAL 39 7.848 -0.469 -5.080 137 3HG2 VAL 39 3HG2 VAL 39 8.246 0.276 -6.622 138 H MET 40 H MET 40 3.662 2.296 -6.019 139 HA MET 40 HA MET 40 1.085 1.348 -5.491 140 1HB MET 40 1HB MET 40 0.315 2.863 -7.208 141 2HB MET 40 2HB MET 40 1.607 3.609 -6.269 142 1HG MET 40 1HG MET 40 3.223 3.072 -8.091 143 2HG MET 40 2HG MET 40 1.911 2.350 -9.029 144 1HE MET 40 2HE MET 40 3.885 4.523 -10.181 145 2HE MET 40 3HE MET 40 2.550 3.800 -11.108 146 3HE MET 40 1HE MET 40 2.749 5.565 -11.064 147 H ALA 41 H ALA 41 3.248 0.030 -7.892 148 HA ALA 41 HA ALA 41 1.228 -1.427 -9.404 149 1HB ALA 41 1HB ALA 41 3.391 -0.693 -10.360 150 2HB ALA 41 2HB ALA 41 4.259 -1.739 -9.209 151 3HB ALA 41 3HB ALA 41 3.208 -2.453 -10.450 152 H LYS 42 H LYS 42 2.445 -1.893 -6.293 153 HA LYS 42 HA LYS 42 1.920 -4.848 -6.257 154 1HB LYS 42 1HB LYS 42 4.349 -4.171 -6.251 155 2HB LYS 42 2HB LYS 42 4.066 -3.273 -4.768 156 1HG LYS 42 1HG LYS 42 5.131 -5.380 -4.298 157 2HG LYS 42 2HG LYS 42 3.523 -5.381 -3.577 158 1HD LYS 42 1HD LYS 42 2.666 -6.885 -5.242 159 2HD LYS 42 2HD LYS 42 4.068 -6.625 -6.307 160 1HE LYS 42 1HE LYS 42 5.557 -7.700 -4.684 161 2HE LYS 42 2HE LYS 42 4.219 -7.904 -3.546 162 1HZ LYS 42 1HZ LYS 42 4.282 -9.160 -6.237 163 2HZ LYS 42 2HZ LYS 42 4.692 -9.927 -4.852 164 3HZ LYS 42 3HZ LYS 42 3.160 -9.417 -5.058 165 H CYS 43 H CYS 43 1.727 -1.799 -4.458 166 HA CYS 43 HA CYS 43 0.582 -2.498 -2.064 167 1HB CYS 43 1HB CYS 43 1.244 -0.272 -2.743 168 2HB CYS 43 2HB CYS 43 -0.028 -0.193 -3.954 169 HA PRO 44 HA PRO 44 -3.882 -2.966 -4.136 170 1HB PRO 44 1HB PRO 44 -2.875 -4.279 -6.665 171 2HB PRO 44 2HB PRO 44 -4.411 -3.394 -6.389 172 1HG PRO 44 1HG PRO 44 -2.346 -2.142 -7.592 173 2HG PRO 44 2HG PRO 44 -3.258 -1.292 -6.299 174 1HD PRO 44 1HD PRO 44 -0.612 -2.733 -6.108 175 2HD PRO 44 2HD PRO 44 -1.091 -1.149 -5.430 176 H GLU 45 H GLU 45 -1.196 -5.253 -4.198 177 HA GLU 45 HA GLU 45 -2.707 -7.709 -4.083 178 1HB GLU 45 1HB GLU 45 -0.328 -7.444 -4.738 179 2HB GLU 45 2HB GLU 45 0.063 -6.970 -3.091 180 1HG GLU 45 1HG GLU 45 -0.545 -9.229 -2.282 181 2HG GLU 45 2HG GLU 45 -0.931 -9.704 -3.949 182 H ARG 46 H ARG 46 -2.246 -5.210 -1.736 183 HA ARG 46 HA ARG 46 -2.876 -7.025 0.569 184 1HB ARG 46 1HB ARG 46 -1.258 -4.455 0.594 185 2HB ARG 46 2HB ARG 46 -1.597 -5.508 1.965 186 1HG ARG 46 1HG ARG 46 0.443 -6.354 1.489 187 2HG ARG 46 2HG ARG 46 -0.458 -7.345 0.347 188 1HD ARG 46 1HD ARG 46 0.029 -5.542 -1.416 189 2HD ARG 46 2HD ARG 46 1.077 -4.764 -0.251 190 HE ARG 46 HE ARG 46 1.565 -7.289 -1.712 191 1HH1 ARG 46 2HH1 ARG 46 2.703 -5.408 1.040 192 2HH1 ARG 46 1HH1 ARG 46 4.223 -6.279 1.057 193 1HH2 ARG 46 2HH2 ARG 46 3.288 -8.359 -1.554 194 2HH2 ARG 46 1HH2 ARG 46 4.577 -7.960 -0.410 195 H GLN 47 H GLN 47 -5.041 -6.441 -0.586 196 HA GLN 47 HA GLN 47 -6.423 -4.046 -0.230 197 1HB GLN 47 1HB GLN 47 -7.439 -6.912 -0.110 198 2HB GLN 47 2HB GLN 47 -8.491 -5.509 -0.239 199 1HG GLN 47 1HG GLN 47 -6.367 -6.276 -2.290 200 2HG GLN 47 2HG GLN 47 -8.079 -6.640 -2.418 201 1HE2 GLN 47 1HE2 GLN 47 -5.963 -4.682 -3.813 202 2HE2 GLN 47 2HE2 GLN 47 -7.003 -3.275 -4.071 203 H ALA 48 H ALA 48 -5.591 -6.245 2.374 204 HA ALA 48 HA ALA 48 -7.498 -5.447 4.330 205 1HB ALA 48 1HB ALA 48 -5.834 -6.338 5.915 206 2HB ALA 48 2HB ALA 48 -6.019 -7.413 4.517 207 3HB ALA 48 3HB ALA 48 -4.599 -6.345 4.639 208 H GLY 49 H GLY 49 -4.750 -3.678 3.047 209 1HA GLY 49 2HA GLY 49 -3.857 -1.575 3.598 210 2HA GLY 49 1HA GLY 49 -4.701 -1.603 5.151 No H/Q in entry = 210 Start of MODEL 5 1 H1 ARG 23 3H ARG 23 -7.731 -3.675 6.380 2 H2 ARG 23 2H ARG 23 -9.172 -3.305 7.083 3 H3 ARG 23 1H ARG 23 -8.964 -4.740 6.291 4 HA ARG 23 HA ARG 23 -8.648 -3.625 4.199 5 1HB ARG 23 1HB ARG 23 -11.212 -2.816 5.642 6 2HB ARG 23 2HB ARG 23 -10.941 -2.612 3.910 7 1HG ARG 23 1HG ARG 23 -10.594 -5.049 3.643 8 2HG ARG 23 2HG ARG 23 -10.934 -5.301 5.361 9 1HD ARG 23 1HD ARG 23 -12.855 -4.056 3.353 10 2HD ARG 23 2HD ARG 23 -12.876 -5.754 3.855 11 HE ARG 23 HE ARG 23 -13.058 -4.478 6.257 12 1HH1 ARG 23 1HH2 ARG 23 -14.990 -4.193 3.352 13 2HH1 ARG 23 2HH2 ARG 23 -16.414 -3.720 4.239 14 1HH2 ARG 23 2HH1 ARG 23 -14.896 -3.854 7.320 15 2HH2 ARG 23 1HH1 ARG 23 -16.354 -3.543 6.426 16 H ALA 24 H ALA 24 -8.508 -1.745 2.969 17 HA ALA 24 HA ALA 24 -7.775 0.315 2.443 18 1HB ALA 24 2HB ALA 24 -9.538 1.228 4.730 19 2HB ALA 24 1HB ALA 24 -10.061 0.865 3.068 20 3HB ALA 24 3HB ALA 24 -8.952 2.214 3.376 21 HA PRO 25 HA PRO 25 -4.367 0.329 5.656 22 1HB PRO 25 1HB PRO 25 -2.271 -0.148 3.967 23 2HB PRO 25 2HB PRO 25 -3.282 -1.435 4.686 24 1HG PRO 25 1HG PRO 25 -3.558 -0.166 1.942 25 2HG PRO 25 2HG PRO 25 -3.524 -1.912 2.350 26 1HD PRO 25 1HD PRO 25 -5.860 -0.616 1.983 27 2HD PRO 25 2HD PRO 25 -5.694 -1.835 3.282 28 H ARG 26 H ARG 26 -5.135 2.250 2.897 29 HA ARG 26 HA ARG 26 -3.261 4.362 3.073 30 1HB ARG 26 1HB ARG 26 -4.948 4.216 1.317 31 2HB ARG 26 2HB ARG 26 -6.254 4.366 2.492 32 1HG ARG 26 1HG ARG 26 -5.928 6.449 1.252 33 2HG ARG 26 2HG ARG 26 -5.643 6.681 2.970 34 1HD ARG 26 1HD ARG 26 -3.127 6.465 2.469 35 2HD ARG 26 2HD ARG 26 -3.555 6.441 0.763 36 HE ARG 26 HE ARG 26 -4.014 8.723 0.837 37 1HH1 ARG 26 2HH2 ARG 26 -3.654 7.656 4.187 38 2HH1 ARG 26 1HH2 ARG 26 -3.532 9.298 4.760 39 1HH2 ARG 26 2HH1 ARG 26 -3.887 10.765 1.679 40 2HH2 ARG 26 1HH1 ARG 26 -3.681 10.996 3.389 41 H ARG 27 H ARG 27 -5.801 3.503 5.346 42 HA ARG 27 HA ARG 27 -5.912 5.777 7.030 43 1HB ARG 27 1HB ARG 27 -6.810 4.295 8.661 44 2HB ARG 27 2HB ARG 27 -7.265 3.575 7.112 45 1HG ARG 27 1HG ARG 27 -5.126 2.147 7.321 46 2HG ARG 27 2HG ARG 27 -5.003 2.776 8.973 47 1HD ARG 27 1HD ARG 27 -7.062 1.693 9.613 48 2HD ARG 27 2HD ARG 27 -7.283 1.083 7.962 49 HE ARG 27 HE ARG 27 -5.046 0.357 9.849 50 1HH1 ARG 27 1HH1 ARG 27 -6.907 -0.588 7.026 51 2HH1 ARG 27 2HH1 ARG 27 -5.792 -1.886 6.647 52 1HH2 ARG 27 2HH2 ARG 27 -3.572 -1.184 9.122 53 2HH2 ARG 27 1HH2 ARG 27 -4.088 -2.265 7.814 54 H GLN 28 H GLN 28 -3.267 3.645 6.532 55 HA GLN 28 HA GLN 28 -1.743 4.544 8.935 56 1HB GLN 28 1HB GLN 28 -2.902 2.308 9.014 57 2HB GLN 28 2HB GLN 28 -1.913 1.766 7.663 58 1HG GLN 28 1HG GLN 28 0.079 1.839 9.067 59 2HG GLN 28 2HG GLN 28 -0.793 2.703 10.338 60 1HE2 GLN 28 2HE2 GLN 28 0.293 0.715 11.504 61 2HE2 GLN 28 1HE2 GLN 28 -0.749 -0.695 11.628 62 H GLY 29 H GLY 29 -1.740 5.374 5.959 63 1HA GLY 29 2HA GLY 29 0.993 5.866 5.537 64 2HA GLY 29 1HA GLY 29 -0.259 5.891 4.288 65 H CYS 30 H CYS 30 -0.889 3.020 4.573 66 HA CYS 30 HA CYS 30 -0.333 0.977 3.984 67 1HB CYS 30 1HB CYS 30 1.547 2.459 2.130 68 2HB CYS 30 2HB CYS 30 1.389 0.701 2.109 69 H TRP 31 H TRP 31 1.456 2.271 6.280 70 HA TRP 31 HA TRP 31 3.918 0.848 6.175 71 1HB TRP 31 1HB TRP 31 3.223 2.767 7.704 72 2HB TRP 31 2HB TRP 31 2.484 1.547 8.738 73 HD1 TRP 31 HD1 TRP 31 4.079 0.487 10.470 74 HE1 TRP 31 HE1 TRP 31 6.613 0.424 10.881 75 HE3 TRP 31 HE3 TRP 31 5.656 2.854 6.208 76 HZ2 TRP 31 HZ2 TRP 31 9.021 1.257 9.516 77 HZ3 TRP 31 HZ3 TRP 31 8.082 3.171 5.769 78 HH2 TRP 31 HH2 TRP 31 9.769 2.388 7.417 79 H LYS 32 H LYS 32 0.764 -0.305 7.238 80 HA LYS 32 HA LYS 32 1.759 -2.950 8.065 81 1HB LYS 32 1HB LYS 32 -0.182 -1.978 9.174 82 2HB LYS 32 2HB LYS 32 -1.019 -1.767 7.636 83 1HG LYS 32 1HG LYS 32 -1.991 -3.620 8.822 84 2HG LYS 32 2HG LYS 32 -1.212 -4.206 7.372 85 1HD LYS 32 1HD LYS 32 0.845 -4.653 9.104 86 2HD LYS 32 2HD LYS 32 -0.472 -4.586 10.274 87 1HE LYS 32 1HE LYS 32 -0.376 -6.866 9.734 88 2HE LYS 32 2HE LYS 32 -1.689 -6.273 8.712 89 1HZ LYS 32 2HZ LYS 32 0.097 -6.028 6.924 90 2HZ LYS 32 3HZ LYS 32 1.105 -6.854 7.891 91 3HZ LYS 32 1HZ LYS 32 -0.248 -7.583 7.343 92 H CYS 33 H CYS 33 0.662 -1.516 5.102 93 HA CYS 33 HA CYS 33 -0.069 -3.986 3.729 94 1HB CYS 33 1HB CYS 33 -1.368 -2.312 2.983 95 2HB CYS 33 2HB CYS 33 -0.203 -1.049 3.364 96 H GLY 34 H GLY 34 2.629 -1.664 3.565 97 1HA GLY 34 2HA GLY 34 4.129 -3.267 1.614 98 2HA GLY 34 1HA GLY 34 4.741 -3.384 3.263 99 H LYS 35 H LYS 35 3.801 -0.240 3.314 100 HA LYS 35 HA LYS 35 5.428 1.193 1.541 101 1HB LYS 35 1HB LYS 35 3.660 2.149 2.946 102 2HB LYS 35 2HB LYS 35 4.615 1.861 4.386 103 1HG LYS 35 1HG LYS 35 4.678 4.205 3.826 104 2HG LYS 35 2HG LYS 35 6.273 3.525 3.690 105 1HD LYS 35 1HD LYS 35 5.910 5.061 1.857 106 2HD LYS 35 2HD LYS 35 6.049 3.436 1.212 107 1HE LYS 35 1HE LYS 35 4.287 4.577 0.041 108 2HE LYS 35 2HE LYS 35 3.566 3.295 1.022 109 1HZ LYS 35 1HZ LYS 35 3.663 6.157 1.824 110 2HZ LYS 35 2HZ LYS 35 2.355 5.426 1.176 111 3HZ LYS 35 3HZ LYS 35 2.901 4.950 2.642 112 H THR 36 H THR 36 6.589 -0.676 4.183 113 HA THR 36 HA THR 36 9.187 0.379 4.642 114 HB THR 36 HB THR 36 9.762 -2.018 5.147 115 HG1 THR 36 HG1 THR 36 8.088 -3.508 5.032 116 1HG2 THR 36 1HG2 THR 36 8.757 -0.569 6.888 117 2HG2 THR 36 2HG2 THR 36 7.130 -1.063 6.375 118 3HG2 THR 36 3HG2 THR 36 8.252 -2.254 7.063 119 H GLY 37 H GLY 37 7.929 -1.216 1.754 120 1HA GLY 37 2HA GLY 37 10.288 -2.081 0.499 121 2HA GLY 37 1HA GLY 37 10.242 -0.337 0.261 122 H HIS 38 H HIS 38 7.005 -1.364 0.172 123 HA HIS 38 HA HIS 38 6.905 -2.546 -2.426 124 1HB HIS 38 1HB HIS 38 4.618 -2.634 -2.176 125 2HB HIS 38 2HB HIS 38 5.214 -2.783 -0.546 126 HD1 HIS 38 HD1 HIS 38 5.176 0.869 -1.299 127 HD2 HIS 38 HD2 HIS 38 2.364 -2.144 -0.499 128 HE1 HIS 38 HE1 HIS 38 3.001 2.056 -0.690 129 H VAL 39 H VAL 39 5.350 -1.669 -4.109 130 HA VAL 39 HA VAL 39 5.666 1.246 -4.679 131 HB VAL 39 HB VAL 39 5.944 -1.012 -6.714 132 1HG1 VAL 39 2HG1 VAL 39 6.204 2.014 -7.037 133 2HG1 VAL 39 3HG1 VAL 39 6.652 0.815 -8.267 134 3HG1 VAL 39 1HG1 VAL 39 4.973 0.966 -7.789 135 1HG2 VAL 39 2HG2 VAL 39 8.050 0.897 -5.603 136 2HG2 VAL 39 3HG2 VAL 39 7.996 -0.864 -5.367 137 3HG2 VAL 39 1HG2 VAL 39 8.289 -0.208 -6.975 138 H MET 40 H MET 40 3.857 2.112 -5.910 139 HA MET 40 HA MET 40 1.348 1.090 -5.060 140 1HB MET 40 1HB MET 40 1.866 3.128 -7.252 141 2HB MET 40 2HB MET 40 0.353 2.877 -6.380 142 1HG MET 40 1HG MET 40 2.964 3.971 -5.307 143 2HG MET 40 2HG MET 40 1.422 4.795 -5.439 144 1HE MET 40 1HE MET 40 -0.677 4.315 -3.864 145 2HE MET 40 2HE MET 40 -0.628 2.561 -4.169 146 3HE MET 40 3HE MET 40 -0.659 3.171 -2.503 147 H ALA 41 H ALA 41 3.152 0.050 -7.789 148 HA ALA 41 HA ALA 41 0.960 -1.115 -9.298 149 1HB ALA 41 1HB ALA 41 3.167 -0.583 -10.281 150 2HB ALA 41 2HB ALA 41 3.941 -1.769 -9.201 151 3HB ALA 41 3HB ALA 41 2.789 -2.307 -10.442 152 H LYS 42 H LYS 42 2.424 -1.957 -6.302 153 HA LYS 42 HA LYS 42 1.369 -4.763 -6.372 154 1HB LYS 42 1HB LYS 42 3.818 -4.633 -6.328 155 2HB LYS 42 2HB LYS 42 3.772 -3.553 -4.943 156 1HG LYS 42 1HG LYS 42 4.411 -5.833 -4.308 157 2HG LYS 42 2HG LYS 42 2.956 -5.296 -3.487 158 1HD LYS 42 1HD LYS 42 2.724 -7.604 -4.117 159 2HD LYS 42 2HD LYS 42 1.566 -6.652 -5.039 160 1HE LYS 42 1HE LYS 42 3.256 -6.698 -6.973 161 2HE LYS 42 2HE LYS 42 4.193 -7.843 -6.001 162 1HZ LYS 42 1HZ LYS 42 2.030 -9.183 -5.907 163 2HZ LYS 42 2HZ LYS 42 1.467 -8.229 -7.094 164 3HZ LYS 42 3HZ LYS 42 2.786 -9.150 -7.372 165 H CYS 43 H CYS 43 1.432 -1.759 -4.529 166 HA CYS 43 HA CYS 43 0.218 -2.395 -2.160 167 1HB CYS 43 1HB CYS 43 1.003 -0.192 -2.961 168 2HB CYS 43 2HB CYS 43 -0.427 -0.052 -3.993 169 HA PRO 44 HA PRO 44 -4.250 -2.726 -4.293 170 1HB PRO 44 1HB PRO 44 -3.190 -4.203 -6.709 171 2HB PRO 44 2HB PRO 44 -4.728 -3.297 -6.527 172 1HG PRO 44 1HG PRO 44 -2.625 -2.111 -7.731 173 2HG PRO 44 2HG PRO 44 -3.565 -1.196 -6.505 174 1HD PRO 44 1HD PRO 44 -0.929 -2.620 -6.186 175 2HD PRO 44 2HD PRO 44 -1.433 -1.018 -5.566 176 H GLU 45 H GLU 45 -1.625 -5.122 -4.271 177 HA GLU 45 HA GLU 45 -3.222 -7.506 -3.950 178 1HB GLU 45 1HB GLU 45 -0.799 -7.299 -4.662 179 2HB GLU 45 2HB GLU 45 -0.395 -6.915 -2.988 180 1HG GLU 45 1HG GLU 45 -1.249 -9.171 -2.305 181 2HG GLU 45 2HG GLU 45 -1.585 -9.527 -4.006 182 H ARG 46 H ARG 46 -2.532 -4.901 -1.808 183 HA ARG 46 HA ARG 46 -2.721 -6.557 0.674 184 1HB ARG 46 1HB ARG 46 -1.561 -3.796 0.220 185 2HB ARG 46 2HB ARG 46 -1.319 -4.804 1.645 186 1HG ARG 46 1HG ARG 46 -0.242 -5.380 -1.155 187 2HG ARG 46 2HG ARG 46 0.673 -4.707 0.177 188 1HD ARG 46 1HD ARG 46 0.472 -6.741 1.483 189 2HD ARG 46 2HD ARG 46 -0.704 -7.415 0.351 190 HE ARG 46 HE ARG 46 0.973 -8.097 -1.064 191 1HH1 ARG 46 2HH2 ARG 46 2.536 -5.826 1.158 192 2HH1 ARG 46 1HH2 ARG 46 4.109 -6.275 0.544 193 1HH2 ARG 46 2HH1 ARG 46 2.823 -8.540 -1.745 194 2HH2 ARG 46 1HH1 ARG 46 4.300 -7.808 -1.105 195 H GLN 47 H GLN 47 -4.796 -4.608 -0.984 196 HA GLN 47 HA GLN 47 -5.612 -2.687 0.928 197 1HB GLN 47 1HB GLN 47 -7.226 -3.912 -1.339 198 2HB GLN 47 2HB GLN 47 -7.628 -2.424 -0.477 199 1HG GLN 47 1HG GLN 47 -5.169 -2.898 -2.211 200 2HG GLN 47 2HG GLN 47 -6.559 -1.900 -2.613 201 1HE2 GLN 47 1HE2 GLN 47 -3.389 -1.749 -1.442 202 2HE2 GLN 47 2HE2 GLN 47 -3.512 -0.175 -0.700 203 H ALA 48 H ALA 48 -6.353 -6.066 0.937 204 HA ALA 48 HA ALA 48 -8.680 -5.983 2.638 205 1HB ALA 48 1HB ALA 48 -8.053 -7.929 1.258 206 2HB ALA 48 3HB ALA 48 -8.155 -8.366 2.974 207 3HB ALA 48 2HB ALA 48 -6.565 -8.140 2.214 208 H GLY 49 H GLY 49 -5.273 -5.475 3.302 209 1HA GLY 49 2HA GLY 49 -4.025 -5.713 5.301 210 2HA GLY 49 1HA GLY 49 -5.495 -6.033 6.221 No H/Q in entry = 210 Start of MODEL 6 1 H1 ARG 23 1H ARG 23 -7.062 -6.371 4.028 2 H2 ARG 23 3H ARG 23 -7.267 -7.250 2.653 3 H3 ARG 23 2H ARG 23 -6.199 -6.010 2.668 4 HA ARG 23 HA ARG 23 -8.103 -5.332 1.488 5 1HB ARG 23 1HB ARG 23 -9.480 -7.016 3.183 6 2HB ARG 23 2HB ARG 23 -9.997 -5.464 3.789 7 1HG ARG 23 1HG ARG 23 -11.130 -4.897 1.843 8 2HG ARG 23 2HG ARG 23 -10.006 -5.758 0.789 9 1HD ARG 23 1HD ARG 23 -12.084 -7.112 2.543 10 2HD ARG 23 2HD ARG 23 -12.222 -6.818 0.796 11 HE ARG 23 HE ARG 23 -9.754 -8.158 1.298 12 1HH1 ARG 23 1HH2 ARG 23 -13.145 -9.055 1.266 13 2HH1 ARG 23 2HH2 ARG 23 -12.745 -10.744 1.078 14 1HH2 ARG 23 2HH1 ARG 23 -9.333 -10.131 1.170 15 2HH2 ARG 23 1HH1 ARG 23 -10.570 -11.372 0.994 16 H ALA 24 H ALA 24 -8.144 -3.230 1.293 17 HA ALA 24 HA ALA 24 -7.418 -1.111 1.605 18 1HB ALA 24 1HB ALA 24 -9.577 -1.331 3.718 19 2HB ALA 24 3HB ALA 24 -9.839 -1.250 1.960 20 3HB ALA 24 2HB ALA 24 -9.118 0.125 2.808 21 HA PRO 25 HA PRO 25 -4.938 -1.211 5.691 22 1HB PRO 25 1HB PRO 25 -2.416 -1.926 4.945 23 2HB PRO 25 2HB PRO 25 -3.677 -3.113 5.391 24 1HG PRO 25 1HG PRO 25 -2.940 -2.182 2.593 25 2HG PRO 25 2HG PRO 25 -3.066 -3.866 3.202 26 1HD PRO 25 1HD PRO 25 -5.118 -2.686 1.897 27 2HD PRO 25 2HD PRO 25 -5.397 -3.741 3.311 28 H ARG 26 H ARG 26 -4.764 0.304 2.590 29 HA ARG 26 HA ARG 26 -2.844 2.319 2.887 30 1HB ARG 26 1HB ARG 26 -4.219 1.999 0.892 31 2HB ARG 26 2HB ARG 26 -5.674 2.461 1.770 32 1HG ARG 26 1HG ARG 26 -4.949 4.264 0.321 33 2HG ARG 26 2HG ARG 26 -4.831 4.770 1.996 34 1HD ARG 26 1HD ARG 26 -2.879 5.569 0.807 35 2HD ARG 26 2HD ARG 26 -2.365 4.332 1.942 36 HE ARG 26 HE ARG 26 -1.773 2.918 0.203 37 1HH1 ARG 26 2HH2 ARG 26 -3.381 5.703 -1.210 38 2HH1 ARG 26 1HH2 ARG 26 -2.973 5.226 -2.835 39 1HH2 ARG 26 1HH1 ARG 26 -1.380 2.323 -1.908 40 2HH2 ARG 26 2HH1 ARG 26 -1.802 3.405 -3.201 41 H ARG 27 H ARG 27 -5.879 2.050 4.675 42 HA ARG 27 HA ARG 27 -5.970 4.634 5.857 43 1HB ARG 27 1HB ARG 27 -7.452 3.703 7.468 44 2HB ARG 27 2HB ARG 27 -7.792 2.971 5.918 45 1HG ARG 27 1HG ARG 27 -7.557 0.918 6.766 46 2HG ARG 27 2HG ARG 27 -5.899 1.235 7.256 47 1HD ARG 27 1HD ARG 27 -8.405 1.876 8.869 48 2HD ARG 27 2HD ARG 27 -7.347 0.499 9.140 49 HE ARG 27 HE ARG 27 -6.798 3.349 9.766 50 1HH1 ARG 27 2HH1 ARG 27 -5.479 0.081 9.877 51 2HH1 ARG 27 1HH1 ARG 27 -4.137 0.615 10.877 52 1HH2 ARG 27 1HH2 ARG 27 -5.061 3.867 11.056 53 2HH2 ARG 27 2HH2 ARG 27 -3.940 2.598 11.518 54 H GLN 28 H GLN 28 -3.638 2.181 6.470 55 HA GLN 28 HA GLN 28 -2.728 3.367 9.017 56 1HB GLN 28 1HB GLN 28 -2.938 0.870 8.529 57 2HB GLN 28 2HB GLN 28 -1.616 1.035 7.388 58 1HG GLN 28 1HG GLN 28 -0.969 0.096 9.609 59 2HG GLN 28 2HG GLN 28 -0.044 1.508 9.151 60 1HE2 GLN 28 2HE2 GLN 28 -0.045 3.294 10.566 61 2HE2 GLN 28 1HE2 GLN 28 -1.022 3.338 12.030 62 H GLY 29 H GLY 29 -2.397 4.465 5.961 63 1HA GLY 29 2HA GLY 29 0.257 5.658 6.232 64 2HA GLY 29 1HA GLY 29 -0.822 5.716 4.829 65 H CYS 30 H CYS 30 -1.103 2.789 4.764 66 HA CYS 30 HA CYS 30 -0.291 0.882 4.034 67 1HB CYS 30 1HB CYS 30 1.387 2.841 2.484 68 2HB CYS 30 2HB CYS 30 1.713 1.118 2.333 69 H TRP 31 H TRP 31 1.299 2.215 6.523 70 HA TRP 31 HA TRP 31 3.825 0.962 6.498 71 1HB TRP 31 1HB TRP 31 2.941 2.742 8.077 72 2HB TRP 31 2HB TRP 31 2.217 1.433 9.008 73 HD1 TRP 31 HD1 TRP 31 3.723 0.478 10.842 74 HE1 TRP 31 HE1 TRP 31 6.228 0.478 11.407 75 HE3 TRP 31 HE3 TRP 31 5.494 2.913 6.696 76 HZ2 TRP 31 HZ2 TRP 31 8.693 1.353 10.182 77 HZ3 TRP 31 HZ3 TRP 31 7.935 3.281 6.400 78 HH2 TRP 31 HH2 TRP 31 9.539 2.512 8.135 79 H LYS 32 H LYS 32 0.743 -0.548 7.180 80 HA LYS 32 HA LYS 32 2.081 -3.147 7.757 81 1HB LYS 32 1HB LYS 32 0.224 -2.351 9.224 82 2HB LYS 32 2HB LYS 32 -0.851 -2.354 7.834 83 1HG LYS 32 1HG LYS 32 -1.369 -4.251 9.080 84 2HG LYS 32 2HG LYS 32 -0.558 -4.862 7.666 85 1HD LYS 32 1HD LYS 32 0.703 -4.496 10.428 86 2HD LYS 32 2HD LYS 32 -0.018 -5.988 9.859 87 1HE LYS 32 1HE LYS 32 2.512 -4.691 8.774 88 2HE LYS 32 2HE LYS 32 2.393 -6.120 9.786 89 1HZ LYS 32 3HZ LYS 32 1.155 -7.212 7.954 90 2HZ LYS 32 1HZ LYS 32 1.411 -5.900 6.993 91 3HZ LYS 32 2HZ LYS 32 2.670 -6.795 7.515 92 H CYS 33 H CYS 33 0.528 -1.496 5.146 93 HA CYS 33 HA CYS 33 -0.207 -3.698 3.447 94 1HB CYS 33 1HB CYS 33 -0.971 -1.310 3.261 95 2HB CYS 33 2HB CYS 33 0.680 -0.846 2.846 96 H GLY 34 H GLY 34 2.686 -1.641 3.679 97 1HA GLY 34 2HA GLY 34 4.228 -3.257 1.737 98 2HA GLY 34 1HA GLY 34 4.782 -3.320 3.409 99 H LYS 35 H LYS 35 3.872 -0.276 3.541 100 HA LYS 35 HA LYS 35 5.205 1.381 1.785 101 1HB LYS 35 1HB LYS 35 3.654 1.968 3.652 102 2HB LYS 35 2HB LYS 35 4.966 1.700 4.792 103 1HG LYS 35 1HG LYS 35 4.656 4.011 4.528 104 2HG LYS 35 2HG LYS 35 6.177 3.651 3.722 105 1HD LYS 35 1HD LYS 35 5.160 3.814 1.532 106 2HD LYS 35 2HD LYS 35 3.526 3.809 2.204 107 1HE LYS 35 1HE LYS 35 5.580 6.030 2.586 108 2HE LYS 35 2HE LYS 35 4.234 6.047 1.442 109 1HZ LYS 35 2HZ LYS 35 2.738 5.766 3.437 110 2HZ LYS 35 3HZ LYS 35 4.020 6.034 4.398 111 3HZ LYS 35 1HZ LYS 35 3.523 7.210 3.381 112 H THR 36 H THR 36 6.782 -0.559 4.196 113 HA THR 36 HA THR 36 9.341 0.672 4.390 114 HB THR 36 HB THR 36 10.088 -1.639 5.016 115 HG1 THR 36 HG1 THR 36 8.506 -3.233 5.114 116 1HG2 THR 36 3HG2 THR 36 9.078 -0.115 6.712 117 2HG2 THR 36 1HG2 THR 36 7.475 -0.791 6.356 118 3HG2 THR 36 2HG2 THR 36 8.745 -1.821 7.047 119 H GLY 37 H GLY 37 7.946 -1.067 1.673 120 1HA GLY 37 2HA GLY 37 10.232 -2.020 0.353 121 2HA GLY 37 1HA GLY 37 10.194 -0.292 0.021 122 H HIS 38 H HIS 38 6.950 -1.427 0.152 123 HA HIS 38 HA HIS 38 6.765 -2.579 -2.465 124 1HB HIS 38 1HB HIS 38 4.475 -2.708 -2.118 125 2HB HIS 38 2HB HIS 38 5.183 -2.943 -0.539 126 HD1 HIS 38 HD1 HIS 38 5.117 0.725 -1.003 127 HD2 HIS 38 HD2 HIS 38 2.330 -2.331 -0.242 128 HE1 HIS 38 HE1 HIS 38 3.037 1.866 -0.061 129 H VAL 39 H VAL 39 5.133 -1.700 -4.087 130 HA VAL 39 HA VAL 39 5.532 1.200 -4.696 131 HB VAL 39 HB VAL 39 5.885 -1.096 -6.676 132 1HG1 VAL 39 3HG1 VAL 39 6.323 1.908 -6.994 133 2HG1 VAL 39 1HG1 VAL 39 6.817 0.678 -8.174 134 3HG1 VAL 39 2HG1 VAL 39 5.113 0.915 -7.846 135 1HG2 VAL 39 1HG2 VAL 39 7.995 0.707 -5.411 136 2HG2 VAL 39 2HG2 VAL 39 7.839 -1.051 -5.191 137 3HG2 VAL 39 3HG2 VAL 39 8.280 -0.408 -6.767 138 H MET 40 H MET 40 3.881 2.052 -6.147 139 HA MET 40 HA MET 40 1.225 1.193 -5.637 140 1HB MET 40 1HB MET 40 2.326 2.995 -7.828 141 2HB MET 40 2HB MET 40 0.612 2.824 -7.437 142 1HG MET 40 1HG MET 40 2.750 3.843 -5.530 143 2HG MET 40 2HG MET 40 1.598 4.831 -6.421 144 1HE MET 40 2HE MET 40 2.129 4.964 -3.255 145 2HE MET 40 3HE MET 40 1.005 6.038 -4.121 146 3HE MET 40 1HE MET 40 0.467 5.173 -2.665 147 H ALA 41 H ALA 41 3.410 -0.144 -7.948 148 HA ALA 41 HA ALA 41 1.450 -1.372 -9.697 149 1HB ALA 41 1HB ALA 41 3.812 -0.981 -10.326 150 2HB ALA 41 2HB ALA 41 4.343 -2.104 -9.049 151 3HB ALA 41 3HB ALA 41 3.394 -2.701 -10.426 152 H LYS 42 H LYS 42 2.288 -1.995 -6.430 153 HA LYS 42 HA LYS 42 1.143 -4.770 -6.496 154 1HB LYS 42 1HB LYS 42 3.734 -4.344 -6.184 155 2HB LYS 42 2HB LYS 42 3.296 -3.916 -4.540 156 1HG LYS 42 1HG LYS 42 2.712 -6.575 -5.936 157 2HG LYS 42 2HG LYS 42 4.078 -6.251 -4.872 158 1HD LYS 42 1HD LYS 42 2.431 -5.788 -2.998 159 2HD LYS 42 2HD LYS 42 1.148 -6.384 -4.082 160 1HE LYS 42 1HE LYS 42 2.332 -8.527 -4.349 161 2HE LYS 42 2HE LYS 42 3.613 -7.964 -3.268 162 1HZ LYS 42 3HZ LYS 42 1.944 -7.800 -1.495 163 2HZ LYS 42 1HZ LYS 42 0.754 -8.337 -2.497 164 3HZ LYS 42 2HZ LYS 42 1.988 -9.321 -2.085 165 H CYS 43 H CYS 43 1.532 -1.789 -4.548 166 HA CYS 43 HA CYS 43 0.147 -2.378 -2.275 167 1HB CYS 43 1HB CYS 43 1.316 -0.302 -2.761 168 2HB CYS 43 2HB CYS 43 0.062 0.189 -3.904 169 HA PRO 44 HA PRO 44 -4.272 -1.662 -4.410 170 1HB PRO 44 1HB PRO 44 -3.489 -2.960 -7.020 171 2HB PRO 44 2HB PRO 44 -4.805 -1.788 -6.689 172 1HG PRO 44 1HG PRO 44 -2.490 -0.921 -7.764 173 2HG PRO 44 2HG PRO 44 -3.231 0.003 -6.413 174 1HD PRO 44 1HD PRO 44 -0.966 -1.993 -6.313 175 2HD PRO 44 2HD PRO 44 -1.100 -0.395 -5.520 176 H GLU 45 H GLU 45 -2.144 -4.495 -4.970 177 HA GLU 45 HA GLU 45 -4.204 -6.513 -4.937 178 1HB GLU 45 1HB GLU 45 -1.937 -6.817 -5.836 179 2HB GLU 45 2HB GLU 45 -1.242 -6.658 -4.232 180 1HG GLU 45 1HG GLU 45 -3.252 -8.830 -4.916 181 2HG GLU 45 2HG GLU 45 -1.532 -9.005 -5.251 182 H ARG 46 H ARG 46 -2.304 -4.936 -2.369 183 HA ARG 46 HA ARG 46 -3.516 -6.526 -0.220 184 1HB ARG 46 1HB ARG 46 -1.906 -3.960 -0.164 185 2HB ARG 46 2HB ARG 46 -2.323 -4.900 1.261 186 1HG ARG 46 1HG ARG 46 -0.555 -5.949 -0.999 187 2HG ARG 46 2HG ARG 46 0.033 -5.130 0.435 188 1HD ARG 46 1HD ARG 46 0.326 -7.436 0.834 189 2HD ARG 46 2HD ARG 46 -0.983 -6.903 1.873 190 HE ARG 46 HE ARG 46 -1.324 -8.417 -0.723 191 1HH1 ARG 46 2HH1 ARG 46 -2.662 -7.733 2.498 192 2HH1 ARG 46 1HH1 ARG 46 -4.132 -8.605 2.049 193 1HH2 ARG 46 1HH2 ARG 46 -3.156 -9.621 -0.977 194 2HH2 ARG 46 2HH2 ARG 46 -4.368 -9.572 0.315 195 H GLN 47 H GLN 47 -4.332 -3.524 -1.818 196 HA GLN 47 HA GLN 47 -6.337 -2.770 0.138 197 1HB GLN 47 1HB GLN 47 -6.398 -2.035 -2.800 198 2HB GLN 47 2HB GLN 47 -7.218 -1.253 -1.456 199 1HG GLN 47 1HG GLN 47 -4.350 -1.071 -2.293 200 2HG GLN 47 2HG GLN 47 -5.460 0.207 -1.862 201 1HE2 GLN 47 2HE2 GLN 47 -2.737 -1.418 -0.851 202 2HE2 GLN 47 1HE2 GLN 47 -2.849 -1.099 0.867 203 H ALA 48 H ALA 48 -6.471 -4.708 -2.871 204 HA ALA 48 HA ALA 48 -9.292 -5.281 -2.637 205 1HB ALA 48 3HB ALA 48 -8.832 -6.744 -4.569 206 2HB ALA 48 2HB ALA 48 -7.084 -6.567 -4.305 207 3HB ALA 48 1HB ALA 48 -8.063 -5.160 -4.774 208 H GLY 49 H GLY 49 -6.383 -7.085 -1.616 209 1HA GLY 49 2HA GLY 49 -6.222 -9.383 -1.102 210 2HA GLY 49 1HA GLY 49 -7.968 -9.510 -0.934 No H/Q in entry = 210 Start of MODEL 7 1 H1 ARG 23 3H ARG 23 -10.929 0.891 -0.576 2 H2 ARG 23 2H ARG 23 -10.680 1.355 -2.128 3 H3 ARG 23 1H ARG 23 -10.274 -0.163 -1.642 4 HA ARG 23 HA ARG 23 -8.584 0.668 -0.183 5 1HB ARG 23 1HB ARG 23 -8.225 0.259 -2.788 6 2HB ARG 23 2HB ARG 23 -8.045 1.997 -2.851 7 1HG ARG 23 1HG ARG 23 -5.855 1.154 -2.659 8 2HG ARG 23 2HG ARG 23 -6.225 1.730 -1.032 9 1HD ARG 23 1HD ARG 23 -6.765 -0.624 -0.358 10 2HD ARG 23 2HD ARG 23 -6.388 -1.160 -1.995 11 HE ARG 23 HE ARG 23 -4.116 -1.015 -1.544 12 1HH1 ARG 23 1HH1 ARG 23 -5.767 0.485 1.220 13 2HH1 ARG 23 2HH1 ARG 23 -4.236 0.509 2.083 14 1HH2 ARG 23 2HH2 ARG 23 -2.366 -0.939 -0.272 15 2HH2 ARG 23 1HH2 ARG 23 -2.489 -0.242 1.334 16 H ALA 24 H ALA 24 -8.105 2.197 1.202 17 HA ALA 24 HA ALA 24 -8.289 5.087 0.600 18 1HB ALA 24 3HB ALA 24 -10.533 4.545 1.440 19 2HB ALA 24 1HB ALA 24 -9.833 3.747 2.866 20 3HB ALA 24 2HB ALA 24 -9.640 5.498 2.637 21 HA PRO 25 HA PRO 25 -4.718 3.156 2.889 22 1HB PRO 25 1HB PRO 25 -2.599 4.464 1.702 23 2HB PRO 25 2HB PRO 25 -3.427 3.037 1.015 24 1HG PRO 25 1HG PRO 25 -3.913 5.958 0.375 25 2HG PRO 25 2HG PRO 25 -3.698 4.594 -0.767 26 1HD PRO 25 1HD PRO 25 -6.161 5.511 -0.096 27 2HD PRO 25 2HD PRO 25 -5.864 3.764 -0.320 28 H ARG 26 H ARG 26 -5.614 6.517 2.753 29 HA ARG 26 HA ARG 26 -3.924 7.688 4.687 30 1HB ARG 26 1HB ARG 26 -5.514 8.964 3.362 31 2HB ARG 26 2HB ARG 26 -6.879 8.099 4.065 32 1HG ARG 26 1HG ARG 26 -6.698 10.352 4.980 33 2HG ARG 26 2HG ARG 26 -6.502 9.143 6.239 34 1HD ARG 26 1HD ARG 26 -3.956 9.480 6.004 35 2HD ARG 26 2HD ARG 26 -4.322 10.809 4.911 36 HE ARG 26 HE ARG 26 -5.015 12.118 6.710 37 1HH1 ARG 26 1HH1 ARG 26 -4.603 8.831 7.938 38 2HH1 ARG 26 2HH1 ARG 26 -4.682 9.374 9.595 39 1HH2 ARG 26 2HH2 ARG 26 -5.142 12.690 8.845 40 2HH2 ARG 26 1HH2 ARG 26 -4.997 11.481 10.086 41 H ARG 27 H ARG 27 -6.524 5.351 5.259 42 HA ARG 27 HA ARG 27 -6.325 5.714 8.199 43 1HB ARG 27 1HB ARG 27 -8.245 4.417 8.396 44 2HB ARG 27 2HB ARG 27 -8.495 5.363 6.935 45 1HG ARG 27 1HG ARG 27 -7.616 3.238 5.670 46 2HG ARG 27 2HG ARG 27 -7.861 2.397 7.201 47 1HD ARG 27 1HD ARG 27 -10.242 3.141 7.214 48 2HD ARG 27 2HD ARG 27 -9.981 3.968 5.678 49 HE ARG 27 HE ARG 27 -9.641 1.846 4.560 50 1HH1 ARG 27 2HH2 ARG 27 -10.848 1.339 7.833 51 2HH1 ARG 27 1HH2 ARG 27 -11.382 -0.272 7.435 52 1HH2 ARG 27 2HH1 ARG 27 -10.250 -0.063 4.173 53 2HH2 ARG 27 1HH1 ARG 27 -11.050 -1.086 5.369 54 H GLN 28 H GLN 28 -4.374 4.207 6.123 55 HA GLN 28 HA GLN 28 -3.671 1.910 7.920 56 1HB GLN 28 1HB GLN 28 -4.857 1.400 5.747 57 2HB GLN 28 2HB GLN 28 -3.512 2.151 4.891 58 1HG GLN 28 1HG GLN 28 -1.992 0.370 5.891 59 2HG GLN 28 2HG GLN 28 -3.434 -0.381 6.585 60 1HE2 GLN 28 2HE2 GLN 28 -4.025 -2.166 5.272 61 2HE2 GLN 28 1HE2 GLN 28 -3.989 -2.112 3.511 62 H GLY 29 H GLY 29 -2.484 4.645 6.020 63 1HA GLY 29 2HA GLY 29 0.078 4.893 7.225 64 2HA GLY 29 1HA GLY 29 -0.443 5.598 5.688 65 H CYS 30 H CYS 30 -1.000 2.917 4.533 66 HA CYS 30 HA CYS 30 -0.256 0.885 4.040 67 1HB CYS 30 1HB CYS 30 1.734 2.791 2.819 68 2HB CYS 30 2HB CYS 30 1.841 1.051 2.499 69 H TRP 31 H TRP 31 0.617 1.564 6.781 70 HA TRP 31 HA TRP 31 3.290 0.578 7.159 71 1HB TRP 31 1HB TRP 31 1.373 2.009 8.665 72 2HB TRP 31 2HB TRP 31 1.661 0.548 9.584 73 HD1 TRP 31 HD1 TRP 31 4.448 0.023 9.921 74 HE1 TRP 31 HE1 TRP 31 6.318 1.673 10.538 75 HE3 TRP 31 HE3 TRP 31 2.111 4.405 8.649 76 HZ2 TRP 31 HZ2 TRP 31 6.778 4.519 10.400 77 HZ3 TRP 31 HZ3 TRP 31 3.304 6.577 8.887 78 HH2 TRP 31 HH2 TRP 31 5.634 6.643 9.749 79 H LYS 32 H LYS 32 0.668 -1.196 6.400 80 HA LYS 32 HA LYS 32 2.081 -3.685 7.200 81 1HB LYS 32 1HB LYS 32 0.051 -3.156 8.726 82 2HB LYS 32 2HB LYS 32 -0.954 -3.437 7.316 83 1HG LYS 32 1HG LYS 32 -0.892 -5.412 8.709 84 2HG LYS 32 2HG LYS 32 -0.131 -5.763 7.167 85 1HD LYS 32 1HD LYS 32 1.044 -6.807 9.027 86 2HD LYS 32 2HD LYS 32 2.109 -5.686 8.204 87 1HE LYS 32 1HE LYS 32 0.553 -4.614 10.553 88 2HE LYS 32 2HE LYS 32 1.748 -5.855 10.917 89 1HZ LYS 32 2HZ LYS 32 3.453 -4.490 9.873 90 2HZ LYS 32 3HZ LYS 32 2.390 -3.298 9.522 91 3HZ LYS 32 1HZ LYS 32 2.731 -3.663 11.071 92 H CYS 33 H CYS 33 0.100 -1.971 4.909 93 HA CYS 33 HA CYS 33 -0.058 -3.812 2.782 94 1HB CYS 33 1HB CYS 33 -1.214 -1.688 2.846 95 2HB CYS 33 2HB CYS 33 0.327 -0.807 2.926 96 H GLY 34 H GLY 34 2.625 -1.603 3.713 97 1HA GLY 34 2HA GLY 34 4.502 -3.174 1.963 98 2HA GLY 34 1HA GLY 34 4.775 -2.993 3.689 99 H LYS 35 H LYS 35 3.963 -0.040 3.627 100 HA LYS 35 HA LYS 35 5.254 1.463 1.701 101 1HB LYS 35 1HB LYS 35 3.735 2.232 3.586 102 2HB LYS 35 2HB LYS 35 5.157 2.266 4.627 103 1HG LYS 35 1HG LYS 35 6.202 3.970 3.164 104 2HG LYS 35 2HG LYS 35 4.914 3.761 1.978 105 1HD LYS 35 1HD LYS 35 4.443 5.774 3.013 106 2HD LYS 35 2HD LYS 35 3.283 4.663 3.713 107 1HE LYS 35 1HE LYS 35 5.914 5.535 5.028 108 2HE LYS 35 2HE LYS 35 4.361 6.333 5.281 109 1HZ LYS 35 3HZ LYS 35 3.498 4.180 6.111 110 2HZ LYS 35 1HZ LYS 35 5.019 3.559 6.072 111 3HZ LYS 35 2HZ LYS 35 4.676 4.815 7.059 112 H THR 36 H THR 36 6.903 -0.159 4.294 113 HA THR 36 HA THR 36 9.432 1.100 4.250 114 HB THR 36 HB THR 36 8.614 -0.555 5.899 115 HG1 THR 36 HG1 THR 36 11.118 -1.085 4.690 116 1HG2 THR 36 3HG2 THR 36 7.745 -2.313 4.383 117 2HG2 THR 36 1HG2 THR 36 9.404 -2.681 3.862 118 3HG2 THR 36 2HG2 THR 36 8.917 -2.938 5.550 119 H GLY 37 H GLY 37 8.046 -0.857 1.691 120 1HA GLY 37 2HA GLY 37 10.356 -1.862 0.430 121 2HA GLY 37 1HA GLY 37 10.257 -0.166 -0.036 122 H HIS 38 H HIS 38 7.037 -1.203 0.181 123 HA HIS 38 HA HIS 38 6.816 -2.713 -2.236 124 1HB HIS 38 1HB HIS 38 4.505 -2.646 -1.896 125 2HB HIS 38 2HB HIS 38 5.225 -2.734 -0.309 126 HD1 HIS 38 HD1 HIS 38 5.410 0.859 -1.171 127 HD2 HIS 38 HD2 HIS 38 2.439 -1.913 -0.119 128 HE1 HIS 38 HE1 HIS 38 3.414 2.228 -0.365 129 H VAL 39 H VAL 39 5.075 -1.974 -3.902 130 HA VAL 39 HA VAL 39 5.803 0.673 -5.095 131 HB VAL 39 HB VAL 39 5.698 -2.008 -6.551 132 1HG1 VAL 39 1HG1 VAL 39 6.544 0.759 -7.521 133 2HG1 VAL 39 2HG1 VAL 39 6.737 -0.751 -8.432 134 3HG1 VAL 39 3HG1 VAL 39 5.124 -0.166 -8.071 135 1HG2 VAL 39 2HG2 VAL 39 8.114 -0.315 -5.772 136 2HG2 VAL 39 3HG2 VAL 39 7.735 -1.951 -5.185 137 3HG2 VAL 39 1HG2 VAL 39 8.155 -1.708 -6.875 138 H MET 40 H MET 40 4.177 1.564 -6.482 139 HA MET 40 HA MET 40 1.491 1.125 -5.705 140 1HB MET 40 1HB MET 40 0.876 2.739 -7.347 141 2HB MET 40 2HB MET 40 2.332 3.272 -6.531 142 1HG MET 40 1HG MET 40 2.241 1.964 -9.283 143 2HG MET 40 2HG MET 40 2.264 3.692 -9.003 144 1HE MET 40 1HE MET 40 4.310 5.116 -8.310 145 2HE MET 40 2HE MET 40 4.437 4.238 -6.768 146 3HE MET 40 3HE MET 40 5.871 4.447 -7.791 147 H ALA 41 H ALA 41 3.284 -0.666 -8.036 148 HA ALA 41 HA ALA 41 1.065 -1.765 -9.532 149 1HB ALA 41 3HB ALA 41 3.408 -1.739 -10.332 150 2HB ALA 41 1HB ALA 41 3.882 -2.819 -8.998 151 3HB ALA 41 2HB ALA 41 2.770 -3.391 -10.261 152 H LYS 42 H LYS 42 2.031 -2.233 -6.278 153 HA LYS 42 HA LYS 42 0.577 -4.850 -6.049 154 1HB LYS 42 1HB LYS 42 3.106 -4.969 -5.993 155 2HB LYS 42 2HB LYS 42 3.082 -3.950 -4.562 156 1HG LYS 42 1HG LYS 42 3.401 -6.263 -3.960 157 2HG LYS 42 2HG LYS 42 1.853 -5.715 -3.315 158 1HD LYS 42 1HD LYS 42 0.619 -6.939 -4.984 159 2HD LYS 42 2HD LYS 42 2.079 -7.219 -5.961 160 1HE LYS 42 1HE LYS 42 3.042 -8.617 -4.184 161 2HE LYS 42 2HE LYS 42 1.641 -8.309 -3.151 162 1HZ LYS 42 2HZ LYS 42 1.475 -9.681 -5.780 163 2HZ LYS 42 3HZ LYS 42 1.497 -10.448 -4.337 164 3HZ LYS 42 1HZ LYS 42 0.243 -9.477 -4.707 165 H CYS 43 H CYS 43 1.349 -1.778 -4.443 166 HA CYS 43 HA CYS 43 0.090 -2.029 -2.024 167 1HB CYS 43 1HB CYS 43 1.424 -0.144 -2.719 168 2HB CYS 43 2HB CYS 43 0.236 0.334 -3.930 169 HA PRO 44 HA PRO 44 -4.334 -1.016 -3.927 170 1HB PRO 44 1HB PRO 44 -3.962 -2.561 -6.494 171 2HB PRO 44 2HB PRO 44 -5.048 -1.176 -6.158 172 1HG PRO 44 1HG PRO 44 -2.723 -0.772 -7.469 173 2HG PRO 44 2HG PRO 44 -3.204 0.355 -6.156 174 1HD PRO 44 1HD PRO 44 -1.274 -1.968 -6.031 175 2HD PRO 44 2HD PRO 44 -1.090 -0.308 -5.391 176 H GLU 45 H GLU 45 -2.532 -4.037 -4.014 177 HA GLU 45 HA GLU 45 -4.752 -5.878 -3.987 178 1HB GLU 45 1HB GLU 45 -2.366 -6.379 -4.551 179 2HB GLU 45 2HB GLU 45 -1.942 -6.122 -2.856 180 1HG GLU 45 1HG GLU 45 -3.395 -8.044 -2.216 181 2HG GLU 45 2HG GLU 45 -3.769 -8.303 -3.930 182 H ARG 46 H ARG 46 -3.208 -3.954 -1.454 183 HA ARG 46 HA ARG 46 -4.320 -5.625 0.714 184 1HB ARG 46 1HB ARG 46 -2.352 -3.312 0.773 185 2HB ARG 46 2HB ARG 46 -2.927 -4.194 2.190 186 1HG ARG 46 1HG ARG 46 -1.081 -5.472 1.832 187 2HG ARG 46 2HG ARG 46 -2.183 -6.334 0.786 188 1HD ARG 46 1HD ARG 46 -1.240 -4.711 -1.091 189 2HD ARG 46 2HD ARG 46 0.074 -4.451 0.047 190 HE ARG 46 HE ARG 46 -0.623 -6.963 -1.397 191 1HH1 ARG 46 1HH1 ARG 46 1.650 -5.593 0.956 192 2HH1 ARG 46 2HH1 ARG 46 2.539 -7.089 0.992 193 1HH2 ARG 46 1HH2 ARG 46 0.485 -8.672 -1.285 194 2HH2 ARG 46 2HH2 ARG 46 1.922 -8.824 -0.264 195 H GLN 47 H GLN 47 -6.363 -4.898 -0.376 196 HA GLN 47 HA GLN 47 -7.743 -2.509 0.144 197 1HB GLN 47 1HB GLN 47 -8.724 -5.368 -0.139 198 2HB GLN 47 2HB GLN 47 -9.793 -3.973 -0.163 199 1HG GLN 47 1HG GLN 47 -7.527 -4.425 -2.154 200 2HG GLN 47 2HG GLN 47 -9.203 -4.863 -2.426 201 1HE2 GLN 47 1HE2 GLN 47 -7.460 -2.936 -3.909 202 2HE2 GLN 47 2HE2 GLN 47 -8.476 -1.500 -3.974 203 H ALA 48 H ALA 48 -6.711 -4.581 2.627 204 HA ALA 48 HA ALA 48 -8.716 -4.195 4.617 205 1HB ALA 48 1HB ALA 48 -6.846 -4.610 6.172 206 2HB ALA 48 3HB ALA 48 -5.679 -4.386 4.850 207 3HB ALA 48 2HB ALA 48 -6.818 -5.755 4.820 208 H GLY 49 H GLY 49 -6.680 -1.869 3.070 209 1HA GLY 49 2HA GLY 49 -6.163 0.408 3.946 210 2HA GLY 49 1HA GLY 49 -7.629 0.299 4.927 No H/Q in entry = 210 Start of MODEL 8 1 H1 ARG 23 1H ARG 23 -9.351 1.926 0.823 2 H2 ARG 23 3H ARG 23 -9.866 1.549 -0.671 3 H3 ARG 23 2H ARG 23 -8.260 1.760 -0.395 4 HA ARG 23 HA ARG 23 -8.832 3.784 -1.386 5 1HB ARG 23 1HB ARG 23 -11.394 3.479 0.230 6 2HB ARG 23 2HB ARG 23 -10.962 4.999 -0.561 7 1HG ARG 23 1HG ARG 23 -11.137 4.125 -2.728 8 2HG ARG 23 2HG ARG 23 -10.929 2.459 -2.201 9 1HD ARG 23 1HD ARG 23 -13.182 2.567 -1.070 10 2HD ARG 23 2HD ARG 23 -13.391 4.186 -1.744 11 HE ARG 23 HE ARG 23 -13.874 3.257 -3.805 12 1HH1 ARG 23 2HH2 ARG 23 -12.380 0.695 -1.891 13 2HH1 ARG 23 1HH2 ARG 23 -12.437 -0.422 -3.218 14 1HH2 ARG 23 1HH1 ARG 23 -14.099 1.687 -5.368 15 2HH2 ARG 23 2HH1 ARG 23 -13.568 0.061 -5.042 16 H ALA 24 H ALA 24 -8.478 5.972 -0.548 17 HA ALA 24 HA ALA 24 -7.120 7.305 0.713 18 1HB ALA 24 1HB ALA 24 -9.402 7.760 1.450 19 2HB ALA 24 2HB ALA 24 -9.238 6.564 2.756 20 3HB ALA 24 3HB ALA 24 -8.234 8.030 2.757 21 HA PRO 25 HA PRO 25 -4.824 3.710 2.693 22 1HB PRO 25 1HB PRO 25 -2.339 4.173 1.549 23 2HB PRO 25 2HB PRO 25 -3.644 3.182 0.828 24 1HG PRO 25 1HG PRO 25 -2.980 6.084 0.284 25 2HG PRO 25 2HG PRO 25 -3.313 4.778 -0.900 26 1HD PRO 25 1HD PRO 25 -5.233 6.536 -0.193 27 2HD PRO 25 2HD PRO 25 -5.632 4.804 -0.406 28 H ARG 26 H ARG 26 -4.243 7.127 2.779 29 HA ARG 26 HA ARG 26 -2.376 7.458 4.862 30 1HB ARG 26 1HB ARG 26 -3.424 9.249 3.519 31 2HB ARG 26 2HB ARG 26 -4.972 8.943 4.293 32 1HG ARG 26 1HG ARG 26 -3.963 10.940 5.166 33 2HG ARG 26 2HG ARG 26 -4.089 9.756 6.454 34 1HD ARG 26 1HD ARG 26 -1.521 10.181 4.864 35 2HD ARG 26 2HD ARG 26 -1.945 11.177 6.266 36 HE ARG 26 HE ARG 26 -2.192 8.507 7.110 37 1HH1 ARG 26 2HH2 ARG 26 0.436 10.612 6.137 38 2HH1 ARG 26 1HH2 ARG 26 1.601 9.751 7.105 39 1HH2 ARG 26 1HH1 ARG 26 -0.684 7.470 8.314 40 2HH2 ARG 26 2HH1 ARG 26 0.970 8.013 8.321 41 H ARG 27 H ARG 27 -5.620 6.106 5.088 42 HA ARG 27 HA ARG 27 -6.071 6.093 7.876 43 1HB ARG 27 1HB ARG 27 -7.530 4.241 7.474 44 2HB ARG 27 2HB ARG 27 -7.633 5.325 6.090 45 1HG ARG 27 1HG ARG 27 -5.980 3.766 4.887 46 2HG ARG 27 2HG ARG 27 -6.166 2.649 6.248 47 1HD ARG 27 1HD ARG 27 -8.594 2.529 5.836 48 2HD ARG 27 2HD ARG 27 -8.427 3.677 4.490 49 HE ARG 27 HE ARG 27 -6.661 1.532 3.957 50 1HH1 ARG 27 1HH1 ARG 27 -10.176 1.942 4.114 51 2HH1 ARG 27 2HH1 ARG 27 -10.384 0.671 2.900 52 1HH2 ARG 27 2HH2 ARG 27 -7.121 -0.019 2.485 53 2HH2 ARG 27 1HH2 ARG 27 -8.831 -0.363 2.093 54 H GLN 28 H GLN 28 -3.631 4.336 6.163 55 HA GLN 28 HA GLN 28 -2.687 3.050 8.702 56 1HB GLN 28 1HB GLN 28 -3.891 1.572 6.910 57 2HB GLN 28 2HB GLN 28 -2.458 1.850 5.924 58 1HG GLN 28 1HG GLN 28 -1.151 0.902 8.026 59 2HG GLN 28 2HG GLN 28 -2.735 0.328 8.538 60 1HE2 GLN 28 1HE2 GLN 28 -3.782 -1.358 7.163 61 2HE2 GLN 28 2HE2 GLN 28 -2.809 -2.217 5.981 62 H GLY 29 H GLY 29 -1.902 5.065 5.997 63 1HA GLY 29 2HA GLY 29 0.891 5.468 6.591 64 2HA GLY 29 1HA GLY 29 0.037 5.901 5.100 65 H CYS 30 H CYS 30 -0.869 3.158 4.596 66 HA CYS 30 HA CYS 30 -0.365 1.036 4.119 67 1HB CYS 30 1HB CYS 30 1.561 2.688 2.490 68 2HB CYS 30 2HB CYS 30 1.552 0.927 2.338 69 H TRP 31 H TRP 31 1.100 1.908 6.654 70 HA TRP 31 HA TRP 31 3.715 0.874 6.604 71 1HB TRP 31 1HB TRP 31 2.665 2.463 8.257 72 2HB TRP 31 2HB TRP 31 1.942 1.066 9.052 73 HD1 TRP 31 HD1 TRP 31 3.354 0.180 10.989 74 HE1 TRP 31 HE1 TRP 31 5.820 0.224 11.707 75 HE3 TRP 31 HE3 TRP 31 5.329 2.673 6.968 76 HZ2 TRP 31 HZ2 TRP 31 8.333 1.173 10.652 77 HZ3 TRP 31 HZ3 TRP 31 7.775 3.119 6.847 78 HH2 TRP 31 HH2 TRP 31 9.279 2.375 8.675 79 H LYS 32 H LYS 32 0.836 -0.999 6.738 80 HA LYS 32 HA LYS 32 2.441 -3.469 7.275 81 1HB LYS 32 1HB LYS 32 0.738 -2.985 9.029 82 2HB LYS 32 2HB LYS 32 -0.507 -2.959 7.792 83 1HG LYS 32 1HG LYS 32 -0.748 -4.998 8.850 84 2HG LYS 32 2HG LYS 32 -0.009 -5.412 7.325 85 1HD LYS 32 1HD LYS 32 1.419 -5.180 10.019 86 2HD LYS 32 2HD LYS 32 0.824 -6.677 9.327 87 1HE LYS 32 1HE LYS 32 3.105 -4.978 8.242 88 2HE LYS 32 2HE LYS 32 3.230 -6.504 9.099 89 1HZ LYS 32 3HZ LYS 32 1.995 -7.556 7.246 90 2HZ LYS 32 1HZ LYS 32 2.019 -6.139 6.410 91 3HZ LYS 32 2HZ LYS 32 3.412 -6.913 6.756 92 H CYS 33 H CYS 33 0.182 -1.891 5.110 93 HA CYS 33 HA CYS 33 -0.236 -3.854 3.125 94 1HB CYS 33 1HB CYS 33 -1.360 -1.743 3.097 95 2HB CYS 33 2HB CYS 33 0.161 -0.851 3.172 96 H GLY 34 H GLY 34 2.543 -1.639 3.592 97 1HA GLY 34 2HA GLY 34 4.231 -3.208 1.692 98 2HA GLY 34 1HA GLY 34 4.636 -3.242 3.404 99 H LYS 35 H LYS 35 3.806 -0.186 3.477 100 HA LYS 35 HA LYS 35 5.329 1.305 1.683 101 1HB LYS 35 1HB LYS 35 3.574 2.128 3.174 102 2HB LYS 35 2HB LYS 35 4.634 2.012 4.568 103 1HG LYS 35 1HG LYS 35 5.566 3.626 2.192 104 2HG LYS 35 2HG LYS 35 4.224 4.275 3.113 105 1HD LYS 35 1HD LYS 35 5.434 4.554 5.075 106 2HD LYS 35 2HD LYS 35 6.697 3.406 4.637 107 1HE LYS 35 1HE LYS 35 6.250 5.977 3.077 108 2HE LYS 35 2HE LYS 35 7.253 5.938 4.530 109 1HZ LYS 35 1HZ LYS 35 7.756 4.149 2.215 110 2HZ LYS 35 2HZ LYS 35 8.517 5.591 2.419 111 3HZ LYS 35 3HZ LYS 35 8.723 4.381 3.496 112 H THR 36 H THR 36 6.685 -0.567 4.208 113 HA THR 36 HA THR 36 9.246 0.664 4.540 114 HB THR 36 HB THR 36 9.963 -1.670 5.130 115 HG1 THR 36 HG1 THR 36 8.357 -3.244 5.166 116 1HG2 THR 36 3HG2 THR 36 8.934 -0.162 6.832 117 2HG2 THR 36 1HG2 THR 36 7.332 -0.816 6.430 118 3HG2 THR 36 2HG2 THR 36 8.578 -1.870 7.130 119 H GLY 37 H GLY 37 7.912 -1.022 1.753 120 1HA GLY 37 2HA GLY 37 10.263 -1.864 0.444 121 2HA GLY 37 1HA GLY 37 10.140 -0.133 0.150 122 H HIS 38 H HIS 38 6.939 -1.269 0.190 123 HA HIS 38 HA HIS 38 6.796 -2.552 -2.355 124 1HB HIS 38 1HB HIS 38 4.476 -2.577 -2.062 125 2HB HIS 38 2HB HIS 38 5.161 -2.774 -0.468 126 HD1 HIS 38 HD1 HIS 38 5.243 0.875 -1.100 127 HD2 HIS 38 HD2 HIS 38 2.342 -2.034 -0.214 128 HE1 HIS 38 HE1 HIS 38 3.214 2.136 -0.206 129 H VAL 39 H VAL 39 5.171 -1.764 -4.043 130 HA VAL 39 HA VAL 39 5.582 1.081 -4.849 131 HB VAL 39 HB VAL 39 5.956 -1.357 -6.646 132 1HG1 VAL 39 2HG1 VAL 39 6.280 1.618 -7.247 133 2HG1 VAL 39 3HG1 VAL 39 6.815 0.303 -8.310 134 3HG1 VAL 39 1HG1 VAL 39 5.105 0.501 -7.991 135 1HG2 VAL 39 3HG2 VAL 39 8.013 0.629 -5.583 136 2HG2 VAL 39 1HG2 VAL 39 7.919 -1.103 -5.189 137 3HG2 VAL 39 2HG2 VAL 39 8.326 -0.603 -6.825 138 H MET 40 H MET 40 3.945 1.844 -6.335 139 HA MET 40 HA MET 40 1.282 1.149 -5.717 140 1HB MET 40 1HB MET 40 2.434 2.669 -8.081 141 2HB MET 40 2HB MET 40 0.711 2.598 -7.687 142 1HG MET 40 1HG MET 40 1.126 3.579 -5.481 143 2HG MET 40 2HG MET 40 2.854 3.677 -5.811 144 1HE MET 40 1HE MET 40 4.021 5.405 -7.315 145 2HE MET 40 2HE MET 40 3.173 4.777 -8.748 146 3HE MET 40 3HE MET 40 3.188 6.520 -8.417 147 H ALA 41 H ALA 41 3.336 -0.472 -7.998 148 HA ALA 41 HA ALA 41 1.289 -1.744 -9.587 149 1HB ALA 41 1HB ALA 41 3.656 -1.528 -10.274 150 2HB ALA 41 2HB ALA 41 4.151 -2.578 -8.923 151 3HB ALA 41 3HB ALA 41 3.149 -3.226 -10.238 152 H LYS 42 H LYS 42 2.196 -2.203 -6.296 153 HA LYS 42 HA LYS 42 0.802 -4.855 -6.151 154 1HB LYS 42 1HB LYS 42 3.326 -4.986 -6.086 155 2HB LYS 42 2HB LYS 42 3.302 -3.992 -4.635 156 1HG LYS 42 1HG LYS 42 3.602 -6.298 -4.031 157 2HG LYS 42 2HG LYS 42 2.023 -5.780 -3.444 158 1HD LYS 42 1HD LYS 42 0.907 -6.952 -5.301 159 2HD LYS 42 2HD LYS 42 2.480 -7.328 -6.039 160 1HE LYS 42 1HE LYS 42 3.088 -8.632 -3.989 161 2HE LYS 42 2HE LYS 42 1.479 -8.305 -3.326 162 1HZ LYS 42 1HZ LYS 42 2.008 -9.797 -5.844 163 2HZ LYS 42 2HZ LYS 42 1.544 -10.463 -4.423 164 3HZ LYS 42 3HZ LYS 42 0.520 -9.483 -5.227 165 H CYS 43 H CYS 43 1.509 -1.810 -4.477 166 HA CYS 43 HA CYS 43 0.322 -2.111 -2.035 167 1HB CYS 43 1HB CYS 43 1.518 -0.155 -2.738 168 2HB CYS 43 2HB CYS 43 0.318 0.233 -3.964 169 HA PRO 44 HA PRO 44 -4.205 -1.276 -3.814 170 1HB PRO 44 1HB PRO 44 -3.805 -2.830 -6.377 171 2HB PRO 44 2HB PRO 44 -4.985 -1.528 -6.019 172 1HG PRO 44 1HG PRO 44 -2.729 -0.957 -7.392 173 2HG PRO 44 2HG PRO 44 -3.265 0.139 -6.076 174 1HD PRO 44 1HD PRO 44 -1.134 -1.998 -5.997 175 2HD PRO 44 2HD PRO 44 -1.101 -0.336 -5.339 176 H GLU 45 H GLU 45 -2.297 -4.265 -4.254 177 HA GLU 45 HA GLU 45 -4.462 -6.116 -3.913 178 1HB GLU 45 1HB GLU 45 -1.967 -6.372 -4.809 179 2HB GLU 45 2HB GLU 45 -1.633 -6.780 -3.124 180 1HG GLU 45 1HG GLU 45 -3.516 -8.536 -3.346 181 2HG GLU 45 2HG GLU 45 -3.554 -8.150 -5.064 182 H ARG 46 H ARG 46 -3.155 -3.994 -1.634 183 HA ARG 46 HA ARG 46 -4.460 -5.500 0.620 184 1HB ARG 46 1HB ARG 46 -2.061 -3.654 0.794 185 2HB ARG 46 2HB ARG 46 -2.787 -4.515 2.141 186 1HG ARG 46 1HG ARG 46 -1.337 -5.814 -0.208 187 2HG ARG 46 2HG ARG 46 -0.641 -5.482 1.370 188 1HD ARG 46 1HD ARG 46 -2.178 -7.006 2.471 189 2HD ARG 46 2HD ARG 46 -3.056 -7.295 0.971 190 HE ARG 46 HE ARG 46 -0.370 -8.316 1.708 191 1HH1 ARG 46 1HH1 ARG 46 -2.807 -8.156 -0.849 192 2HH1 ARG 46 2HH1 ARG 46 -1.884 -9.278 -1.844 193 1HH2 ARG 46 1HH2 ARG 46 0.625 -9.821 0.346 194 2HH2 ARG 46 2HH2 ARG 46 -0.146 -10.215 -1.173 195 H GLN 47 H GLN 47 -4.869 -2.915 -1.362 196 HA GLN 47 HA GLN 47 -6.239 -1.253 0.710 197 1HB GLN 47 1HB GLN 47 -4.254 -0.303 -1.386 198 2HB GLN 47 2HB GLN 47 -5.260 0.783 -0.442 199 1HG GLN 47 1HG GLN 47 -3.224 -1.100 0.820 200 2HG GLN 47 2HG GLN 47 -2.894 0.543 0.317 201 1HE2 GLN 47 1HE2 GLN 47 -2.329 1.133 2.495 202 2HE2 GLN 47 2HE2 GLN 47 -3.595 1.348 3.702 203 H ALA 48 H ALA 48 -6.697 -2.787 -2.279 204 HA ALA 48 HA ALA 48 -8.298 -0.914 -3.664 205 1HB ALA 48 2HB ALA 48 -8.318 -3.960 -3.688 206 2HB ALA 48 1HB ALA 48 -7.324 -2.888 -4.707 207 3HB ALA 48 3HB ALA 48 -9.078 -2.917 -4.909 208 H GLY 49 H GLY 49 -9.118 -2.326 -0.707 209 1HA GLY 49 2HA GLY 49 -11.266 -2.616 0.362 210 2HA GLY 49 1HA GLY 49 -12.065 -1.874 -1.028 No H/Q in entry = 210 Start of MODEL 9 1 H1 ARG 23 3H ARG 23 -10.680 1.388 1.289 2 H2 ARG 23 2H ARG 23 -11.185 1.706 -0.241 3 H3 ARG 23 1H ARG 23 -10.817 0.166 0.218 4 HA ARG 23 HA ARG 23 -8.537 0.643 0.473 5 1HB ARG 23 1HB ARG 23 -9.705 0.186 -1.876 6 2HB ARG 23 2HB ARG 23 -9.202 1.816 -2.243 7 1HG ARG 23 1HG ARG 23 -7.063 1.166 -2.590 8 2HG ARG 23 2HG ARG 23 -6.968 0.394 -1.018 9 1HD ARG 23 1HD ARG 23 -7.983 -0.852 -3.598 10 2HD ARG 23 2HD ARG 23 -6.483 -1.236 -2.743 11 HE ARG 23 HE ARG 23 -8.807 -1.634 -1.041 12 1HH1 ARG 23 1HH2 ARG 23 -7.013 -3.404 -3.493 13 2HH1 ARG 23 2HH2 ARG 23 -8.056 -4.792 -3.301 14 1HH2 ARG 23 2HH1 ARG 23 -9.901 -3.315 -0.783 15 2HH2 ARG 23 1HH1 ARG 23 -9.654 -4.783 -1.730 16 H ALA 24 H ALA 24 -7.208 2.083 1.419 17 HA ALA 24 HA ALA 24 -6.970 4.821 0.564 18 1HB ALA 24 3HB ALA 24 -8.995 5.117 1.937 19 2HB ALA 24 2HB ALA 24 -7.608 5.860 2.746 20 3HB ALA 24 1HB ALA 24 -8.220 4.288 3.304 21 HA PRO 25 HA PRO 25 -3.080 3.678 2.649 22 1HB PRO 25 1HB PRO 25 -1.518 5.794 1.973 23 2HB PRO 25 2HB PRO 25 -2.029 4.555 0.790 24 1HG PRO 25 1HG PRO 25 -3.254 7.287 1.259 25 2HG PRO 25 2HG PRO 25 -2.815 6.517 -0.296 26 1HD PRO 25 1HD PRO 25 -5.369 6.475 0.724 27 2HD PRO 25 2HD PRO 25 -4.705 5.138 -0.262 28 H ARG 26 H ARG 26 -4.507 6.927 3.132 29 HA ARG 26 HA ARG 26 -2.839 7.881 5.141 30 1HB ARG 26 1HB ARG 26 -4.464 9.195 3.825 31 2HB ARG 26 2HB ARG 26 -5.801 8.485 4.743 32 1HG ARG 26 1HG ARG 26 -4.967 9.534 6.815 33 2HG ARG 26 2HG ARG 26 -3.546 10.155 5.954 34 1HD ARG 26 1HD ARG 26 -4.980 11.544 4.531 35 2HD ARG 26 2HD ARG 26 -6.433 10.881 5.276 36 HE ARG 26 HE ARG 26 -4.556 12.857 6.416 37 1HH1 ARG 26 2HH1 ARG 26 -7.296 10.792 7.158 38 2HH1 ARG 26 1HH1 ARG 26 -7.678 11.677 8.610 39 1HH2 ARG 26 1HH2 ARG 26 -5.103 13.929 8.277 40 2HH2 ARG 26 2HH2 ARG 26 -6.467 13.403 9.219 41 H ARG 27 H ARG 27 -5.664 5.857 5.645 42 HA ARG 27 HA ARG 27 -5.850 5.932 8.490 43 1HB ARG 27 1HB ARG 27 -7.129 3.834 8.248 44 2HB ARG 27 2HB ARG 27 -7.628 5.056 7.077 45 1HG ARG 27 1HG ARG 27 -6.277 3.959 5.326 46 2HG ARG 27 2HG ARG 27 -5.742 2.725 6.477 47 1HD ARG 27 1HD ARG 27 -8.037 1.920 6.725 48 2HD ARG 27 2HD ARG 27 -8.630 3.213 5.654 49 HE ARG 27 HE ARG 27 -6.636 1.904 4.200 50 1HH1 ARG 27 2HH1 ARG 27 -9.857 1.013 5.379 51 2HH1 ARG 27 1HH1 ARG 27 -10.027 -0.153 4.062 52 1HH2 ARG 27 1HH2 ARG 27 -6.973 0.219 2.727 53 2HH2 ARG 27 2HH2 ARG 27 -8.557 -0.571 2.763 54 H GLN 28 H GLN 28 -3.376 4.454 6.622 55 HA GLN 28 HA GLN 28 -2.341 2.965 9.010 56 1HB GLN 28 1HB GLN 28 -3.666 1.640 7.180 57 2HB GLN 28 2HB GLN 28 -2.266 1.939 6.155 58 1HG GLN 28 1HG GLN 28 -0.893 0.808 8.090 59 2HG GLN 28 2HG GLN 28 -2.463 0.297 8.710 60 1HE2 GLN 28 2HE2 GLN 28 -3.706 -1.276 7.369 61 2HE2 GLN 28 1HE2 GLN 28 -2.881 -2.132 6.075 62 H GLY 29 H GLY 29 -1.609 5.141 6.413 63 1HA GLY 29 2HA GLY 29 1.224 5.387 6.846 64 2HA GLY 29 1HA GLY 29 0.301 5.921 5.432 65 H CYS 30 H CYS 30 -0.739 3.219 4.859 66 HA CYS 30 HA CYS 30 -0.319 1.094 4.292 67 1HB CYS 30 1HB CYS 30 1.497 2.767 2.588 68 2HB CYS 30 2HB CYS 30 1.570 1.010 2.440 69 H TRP 31 H TRP 31 1.199 1.859 6.774 70 HA TRP 31 HA TRP 31 3.772 0.705 6.823 71 1HB TRP 31 1HB TRP 31 2.908 2.304 8.450 72 2HB TRP 31 2HB TRP 31 1.726 1.132 9.019 73 HD1 TRP 31 HD1 TRP 31 5.593 1.397 8.805 74 HE1 TRP 31 HE1 TRP 31 6.621 0.258 10.863 75 HE3 TRP 31 HE3 TRP 31 1.289 -0.250 11.052 76 HZ2 TRP 31 HZ2 TRP 31 5.699 -1.232 13.159 77 HZ3 TRP 31 HZ3 TRP 31 1.398 -1.542 13.172 78 HH2 TRP 31 HH2 TRP 31 3.590 -2.040 14.230 79 H LYS 32 H LYS 32 0.870 -1.067 6.558 80 HA LYS 32 HA LYS 32 2.358 -3.589 7.174 81 1HB LYS 32 1HB LYS 32 0.495 -2.772 8.883 82 2HB LYS 32 2HB LYS 32 -0.621 -3.338 7.655 83 1HG LYS 32 1HG LYS 32 -0.292 -5.066 9.303 84 2HG LYS 32 2HG LYS 32 0.390 -5.608 7.777 85 1HD LYS 32 1HD LYS 32 1.773 -6.231 9.710 86 2HD LYS 32 2HD LYS 32 2.672 -5.222 8.598 87 1HE LYS 32 1HE LYS 32 1.275 -3.654 10.693 88 2HE LYS 32 2HE LYS 32 2.330 -4.881 11.382 89 1HZ LYS 32 2HZ LYS 32 3.247 -2.841 9.410 90 2HZ LYS 32 3HZ LYS 32 3.493 -2.778 11.024 91 3HZ LYS 32 1HZ LYS 32 4.183 -3.966 10.140 92 H CYS 33 H CYS 33 0.125 -1.922 5.087 93 HA CYS 33 HA CYS 33 -0.288 -3.818 3.035 94 1HB CYS 33 1HB CYS 33 -1.301 -1.610 3.154 95 2HB CYS 33 2HB CYS 33 0.279 -0.829 3.096 96 H GLY 34 H GLY 34 2.488 -1.552 3.478 97 1HA GLY 34 2HA GLY 34 4.235 -3.233 1.745 98 2HA GLY 34 1HA GLY 34 4.593 -3.193 3.468 99 H LYS 35 H LYS 35 3.835 -0.170 3.499 100 HA LYS 35 HA LYS 35 5.332 1.291 1.646 101 1HB LYS 35 1HB LYS 35 3.579 2.123 3.144 102 2HB LYS 35 2HB LYS 35 4.663 2.055 4.523 103 1HG LYS 35 1HG LYS 35 5.504 3.623 2.081 104 2HG LYS 35 2HG LYS 35 4.200 4.283 3.053 105 1HD LYS 35 1HD LYS 35 5.497 4.562 4.972 106 2HD LYS 35 2HD LYS 35 6.755 3.452 4.460 107 1HE LYS 35 1HE LYS 35 6.187 6.157 3.169 108 2HE LYS 35 2HE LYS 35 7.444 5.837 4.368 109 1HZ LYS 35 1HZ LYS 35 8.372 4.173 2.769 110 2HZ LYS 35 2HZ LYS 35 7.314 4.674 1.643 111 3HZ LYS 35 3HZ LYS 35 8.439 5.713 2.208 112 H THR 36 H THR 36 6.713 -0.572 4.149 113 HA THR 36 HA THR 36 9.282 0.654 4.461 114 HB THR 36 HB THR 36 10.014 -1.685 4.997 115 HG1 THR 36 HG1 THR 36 8.421 -3.271 5.022 116 1HG2 THR 36 2HG2 THR 36 8.993 -0.212 6.740 117 2HG2 THR 36 3HG2 THR 36 7.394 -0.885 6.351 118 3HG2 THR 36 1HG2 THR 36 8.668 -1.930 7.013 119 H GLY 37 H GLY 37 7.901 -1.016 1.683 120 1HA GLY 37 2HA GLY 37 10.229 -1.804 0.305 121 2HA GLY 37 1HA GLY 37 10.078 -0.070 0.043 122 H HIS 38 H HIS 38 6.888 -1.242 0.145 123 HA HIS 38 HA HIS 38 6.704 -2.489 -2.411 124 1HB HIS 38 1HB HIS 38 4.383 -2.507 -2.102 125 2HB HIS 38 2HB HIS 38 5.093 -2.752 -0.524 126 HD1 HIS 38 HD1 HIS 38 5.119 0.922 -1.148 127 HD2 HIS 38 HD2 HIS 38 2.327 -2.039 -0.093 128 HE1 HIS 38 HE1 HIS 38 3.125 2.146 -0.127 129 H VAL 39 H VAL 39 5.146 -1.720 -4.110 130 HA VAL 39 HA VAL 39 5.566 1.123 -4.937 131 HB VAL 39 HB VAL 39 6.010 -1.361 -6.659 132 1HG1 VAL 39 2HG1 VAL 39 6.344 1.596 -7.339 133 2HG1 VAL 39 3HG1 VAL 39 6.940 0.254 -8.334 134 3HG1 VAL 39 1HG1 VAL 39 5.217 0.441 -8.103 135 1HG2 VAL 39 2HG2 VAL 39 8.021 0.662 -5.577 136 2HG2 VAL 39 3HG2 VAL 39 7.914 -1.056 -5.136 137 3HG2 VAL 39 1HG2 VAL 39 8.382 -0.606 -6.769 138 H MET 40 H MET 40 3.987 1.793 -6.607 139 HA MET 40 HA MET 40 1.300 1.106 -6.036 140 1HB MET 40 1HB MET 40 2.516 2.510 -8.446 141 2HB MET 40 2HB MET 40 0.783 2.430 -8.103 142 1HG MET 40 1HG MET 40 1.139 3.546 -5.930 143 2HG MET 40 2HG MET 40 2.867 3.676 -6.273 144 1HE MET 40 3HE MET 40 2.765 6.257 -5.732 145 2HE MET 40 1HE MET 40 1.628 7.386 -6.501 146 3HE MET 40 2HE MET 40 1.021 6.123 -5.407 147 H ALA 41 H ALA 41 3.457 -0.706 -8.027 148 HA ALA 41 HA ALA 41 1.456 -2.095 -9.612 149 1HB ALA 41 2HB ALA 41 3.843 -1.928 -10.248 150 2HB ALA 41 3HB ALA 41 4.299 -2.854 -8.797 151 3HB ALA 41 1HB ALA 41 3.336 -3.617 -10.079 152 H LYS 42 H LYS 42 2.189 -2.202 -6.276 153 HA LYS 42 HA LYS 42 0.960 -4.913 -5.883 154 1HB LYS 42 1HB LYS 42 3.444 -4.959 -5.831 155 2HB LYS 42 2HB LYS 42 3.450 -3.721 -4.583 156 1HG LYS 42 1HG LYS 42 3.900 -5.909 -3.657 157 2HG LYS 42 2HG LYS 42 2.402 -5.267 -2.989 158 1HD LYS 42 1HD LYS 42 1.061 -6.761 -4.358 159 2HD LYS 42 2HD LYS 42 2.480 -7.236 -5.321 160 1HE LYS 42 1HE LYS 42 3.521 -8.249 -3.326 161 2HE LYS 42 2HE LYS 42 2.147 -7.756 -2.333 162 1HZ LYS 42 3HZ LYS 42 1.976 -9.638 -4.626 163 2HZ LYS 42 1HZ LYS 42 1.950 -10.074 -3.053 164 3HZ LYS 42 2HZ LYS 42 0.718 -9.197 -3.676 165 H CYS 43 H CYS 43 1.579 -1.712 -4.431 166 HA CYS 43 HA CYS 43 0.255 -1.962 -2.016 167 1HB CYS 43 1HB CYS 43 1.592 -0.061 -2.669 168 2HB CYS 43 2HB CYS 43 0.432 0.414 -3.905 169 HA PRO 44 HA PRO 44 -4.067 -0.952 -4.083 170 1HB PRO 44 1HB PRO 44 -3.635 -2.397 -6.699 171 2HB PRO 44 2HB PRO 44 -4.707 -1.006 -6.340 172 1HG PRO 44 1HG PRO 44 -2.341 -0.603 -7.574 173 2HG PRO 44 2HG PRO 44 -2.843 0.493 -6.244 174 1HD PRO 44 1HD PRO 44 -0.949 -1.864 -6.119 175 2HD PRO 44 2HD PRO 44 -0.756 -0.222 -5.442 176 H GLU 45 H GLU 45 -2.280 -3.988 -4.547 177 HA GLU 45 HA GLU 45 -4.650 -5.691 -4.003 178 1HB GLU 45 1HB GLU 45 -2.808 -6.406 -5.556 179 2HB GLU 45 2HB GLU 45 -1.682 -6.359 -4.202 180 1HG GLU 45 1HG GLU 45 -3.272 -8.061 -3.044 181 2HG GLU 45 2HG GLU 45 -4.033 -8.234 -4.624 182 H ARG 46 H ARG 46 -1.534 -4.855 -2.441 183 HA ARG 46 HA ARG 46 -1.922 -6.285 -0.009 184 1HB ARG 46 1HB ARG 46 -0.164 -3.965 -0.878 185 2HB ARG 46 2HB ARG 46 -0.141 -4.538 0.775 186 1HG ARG 46 1HG ARG 46 0.503 -6.222 -1.674 187 2HG ARG 46 2HG ARG 46 1.675 -5.511 -0.562 188 1HD ARG 46 1HD ARG 46 -0.309 -7.731 0.005 189 2HD ARG 46 2HD ARG 46 1.450 -7.835 0.000 190 HE ARG 46 HE ARG 46 1.237 -6.064 1.944 191 1HH1 ARG 46 1HH2 ARG 46 -0.918 -8.813 1.542 192 2HH1 ARG 46 2HH2 ARG 46 -1.369 -8.813 3.223 193 1HH2 ARG 46 2HH1 ARG 46 0.659 -6.182 4.107 194 2HH2 ARG 46 1HH1 ARG 46 -0.486 -7.387 4.616 195 H GLN 47 H GLN 47 -3.085 -3.112 -0.843 196 HA GLN 47 HA GLN 47 -3.894 -2.101 1.634 197 1HB GLN 47 1HB GLN 47 -4.811 -1.939 -1.218 198 2HB GLN 47 2HB GLN 47 -5.962 -1.402 -0.013 199 1HG GLN 47 1HG GLN 47 -3.081 -0.403 -0.024 200 2HG GLN 47 2HG GLN 47 -4.345 0.368 -0.979 201 1HE2 GLN 47 1HE2 GLN 47 -2.755 1.145 1.708 202 2HE2 GLN 47 2HE2 GLN 47 -4.123 1.757 2.637 203 H ALA 48 H ALA 48 -5.280 -4.861 -0.024 204 HA ALA 48 HA ALA 48 -6.824 -6.377 0.434 205 1HB ALA 48 1HB ALA 48 -6.054 -5.733 3.295 206 2HB ALA 48 2HB ALA 48 -6.718 -7.267 2.695 207 3HB ALA 48 3HB ALA 48 -5.118 -6.728 2.156 208 H GLY 49 H GLY 49 -7.860 -3.312 1.559 209 1HA GLY 49 2HA GLY 49 -10.212 -3.599 2.911 210 2HA GLY 49 1HA GLY 49 -10.702 -4.050 1.276 No H/Q in entry = 210 Start of MODEL 10 1 H1 ARG 23 3H ARG 23 -11.319 -0.200 -1.264 2 H2 ARG 23 2H ARG 23 -10.792 -1.756 -1.188 3 H3 ARG 23 1H ARG 23 -10.763 -0.841 0.151 4 HA ARG 23 HA ARG 23 -8.540 -0.981 -0.622 5 1HB ARG 23 1HB ARG 23 -9.644 0.114 -3.238 6 2HB ARG 23 2HB ARG 23 -7.939 -0.047 -2.861 7 1HG ARG 23 1HG ARG 23 -9.876 -2.403 -3.100 8 2HG ARG 23 2HG ARG 23 -8.842 -1.781 -4.367 9 1HD ARG 23 1HD ARG 23 -7.619 -3.556 -3.655 10 2HD ARG 23 2HD ARG 23 -6.847 -2.234 -2.769 11 HE ARG 23 HE ARG 23 -8.899 -3.395 -1.115 12 1HH1 ARG 23 2HH1 ARG 23 -5.842 -4.485 -2.441 13 2HH1 ARG 23 1HH1 ARG 23 -5.567 -5.556 -1.081 14 1HH2 ARG 23 1HH2 ARG 23 -8.525 -4.673 0.457 15 2HH2 ARG 23 2HH2 ARG 23 -6.977 -5.512 0.637 16 H ALA 24 H ALA 24 -7.406 0.604 0.307 17 HA ALA 24 HA ALA 24 -7.665 3.373 -0.166 18 1HB ALA 24 1HB ALA 24 -9.709 3.275 1.200 19 2HB ALA 24 3HB ALA 24 -8.438 4.129 2.084 20 3HB ALA 24 2HB ALA 24 -8.830 2.449 2.504 21 HA PRO 25 HA PRO 25 -3.735 2.648 2.092 22 1HB PRO 25 1HB PRO 25 -2.262 4.694 1.131 23 2HB PRO 25 2HB PRO 25 -2.777 3.340 0.082 24 1HG PRO 25 1HG PRO 25 -4.053 6.079 0.318 25 2HG PRO 25 2HG PRO 25 -3.616 5.177 -1.163 26 1HD PRO 25 1HD PRO 25 -6.155 5.156 -0.056 27 2HD PRO 25 2HD PRO 25 -5.479 3.795 -0.998 28 H ARG 26 H ARG 26 -5.389 5.819 2.133 29 HA ARG 26 HA ARG 26 -3.649 7.132 3.881 30 1HB ARG 26 1HB ARG 26 -5.274 8.893 4.010 31 2HB ARG 26 2HB ARG 26 -5.190 8.266 2.370 32 1HG ARG 26 1HG ARG 26 -7.288 7.004 2.700 33 2HG ARG 26 2HG ARG 26 -7.386 7.547 4.380 34 1HD ARG 26 1HD ARG 26 -7.393 9.396 1.963 35 2HD ARG 26 2HD ARG 26 -8.845 8.819 2.799 36 HE ARG 26 HE ARG 26 -7.250 9.958 4.796 37 1HH1 ARG 26 1HH2 ARG 26 -8.854 11.168 1.927 38 2HH1 ARG 26 2HH2 ARG 26 -9.019 12.773 2.587 39 1HH2 ARG 26 1HH1 ARG 26 -7.481 12.023 5.572 40 2HH2 ARG 26 2HH1 ARG 26 -8.262 13.235 4.600 41 H ARG 27 H ARG 27 -6.243 5.066 4.847 42 HA ARG 27 HA ARG 27 -6.525 5.788 7.606 43 1HB ARG 27 1HB ARG 27 -7.507 3.548 7.864 44 2HB ARG 27 2HB ARG 27 -8.113 4.353 6.413 45 1HG ARG 27 1HG ARG 27 -6.453 3.066 5.040 46 2HG ARG 27 2HG ARG 27 -5.936 2.205 6.496 47 1HD ARG 27 1HD ARG 27 -8.059 1.113 6.712 48 2HD ARG 27 2HD ARG 27 -8.800 2.192 5.501 49 HE ARG 27 HE ARG 27 -6.517 0.885 4.372 50 1HH1 ARG 27 1HH2 ARG 27 -9.893 0.072 5.069 51 2HH1 ARG 27 2HH2 ARG 27 -9.981 -0.830 3.554 52 1HH2 ARG 27 2HH1 ARG 27 -6.868 -0.110 2.531 53 2HH2 ARG 27 1HH1 ARG 27 -8.406 -0.963 2.272 54 H GLN 28 H GLN 28 -3.894 4.218 6.043 55 HA GLN 28 HA GLN 28 -2.627 3.498 8.668 56 1HB GLN 28 1HB GLN 28 -3.688 1.603 7.267 57 2HB GLN 28 2HB GLN 28 -2.445 1.938 6.065 58 1HG GLN 28 1HG GLN 28 -0.740 1.499 7.997 59 2HG GLN 28 2HG GLN 28 -2.121 0.867 8.895 60 1HE2 GLN 28 1HE2 GLN 28 -3.134 -1.149 8.054 61 2HE2 GLN 28 2HE2 GLN 28 -2.263 -2.113 6.871 62 H GLY 29 H GLY 29 -2.236 4.971 5.500 63 1HA GLY 29 2HA GLY 29 0.485 5.888 5.927 64 2HA GLY 29 1HA GLY 29 -0.445 5.925 4.418 65 H CYS 30 H CYS 30 -1.005 3.067 4.447 66 HA CYS 30 HA CYS 30 -0.294 1.004 4.108 67 1HB CYS 30 1HB CYS 30 1.385 2.685 2.247 68 2HB CYS 30 2HB CYS 30 1.449 0.917 2.203 69 H TRP 31 H TRP 31 1.431 2.328 6.367 70 HA TRP 31 HA TRP 31 4.012 1.167 6.146 71 1HB TRP 31 1HB TRP 31 3.243 3.143 7.543 72 2HB TRP 31 2HB TRP 31 2.653 1.980 8.725 73 HD1 TRP 31 HD1 TRP 31 4.339 1.659 10.606 74 HE1 TRP 31 HE1 TRP 31 6.889 1.724 10.903 75 HE3 TRP 31 HE3 TRP 31 5.696 2.749 5.786 76 HZ2 TRP 31 HZ2 TRP 31 9.219 2.151 9.253 77 HZ3 TRP 31 HZ3 TRP 31 8.093 2.968 5.172 78 HH2 TRP 31 HH2 TRP 31 9.859 2.672 6.894 79 H LYS 32 H LYS 32 1.274 -0.639 6.562 80 HA LYS 32 HA LYS 32 2.953 -2.949 7.408 81 1HB LYS 32 1HB LYS 32 1.460 -2.047 9.313 82 2HB LYS 32 2HB LYS 32 0.086 -2.577 8.358 83 1HG LYS 32 1HG LYS 32 0.625 -4.215 10.059 84 2HG LYS 32 2HG LYS 32 0.868 -4.909 8.467 85 1HD LYS 32 1HD LYS 32 2.592 -5.603 10.039 86 2HD LYS 32 2HD LYS 32 3.319 -4.725 8.711 87 1HE LYS 32 1HE LYS 32 2.561 -3.118 11.145 88 2HE LYS 32 2HE LYS 32 3.828 -4.318 11.377 89 1HZ LYS 32 2HZ LYS 32 5.099 -3.287 9.590 90 2HZ LYS 32 3HZ LYS 32 3.963 -2.134 9.348 91 3HZ LYS 32 1HZ LYS 32 4.781 -2.198 10.755 92 H CYS 33 H CYS 33 0.322 -1.746 5.470 93 HA CYS 33 HA CYS 33 -0.302 -3.906 3.775 94 1HB CYS 33 1HB CYS 33 -1.356 -1.756 3.625 95 2HB CYS 33 2HB CYS 33 0.192 -0.932 3.468 96 H GLY 34 H GLY 34 2.472 -1.625 3.543 97 1HA GLY 34 2HA GLY 34 3.980 -3.421 1.748 98 2HA GLY 34 1HA GLY 34 4.523 -3.410 3.422 99 H LYS 35 H LYS 35 3.734 -0.233 3.170 100 HA LYS 35 HA LYS 35 5.529 0.823 1.239 101 1HB LYS 35 1HB LYS 35 3.545 1.907 2.507 102 2HB LYS 35 2HB LYS 35 4.732 2.323 3.737 103 1HG LYS 35 1HG LYS 35 6.052 3.515 1.864 104 2HG LYS 35 2HG LYS 35 4.730 3.097 0.775 105 1HD LYS 35 1HD LYS 35 4.370 5.349 1.453 106 2HD LYS 35 2HD LYS 35 3.176 4.375 2.319 107 1HE LYS 35 1HE LYS 35 4.865 4.330 4.277 108 2HE LYS 35 2HE LYS 35 5.802 5.533 3.382 109 1HZ LYS 35 2HZ LYS 35 3.782 6.960 3.444 110 2HZ LYS 35 3HZ LYS 35 3.012 5.808 4.338 111 3HZ LYS 35 1HZ LYS 35 4.307 6.600 4.952 112 H THR 36 H THR 36 6.472 -0.727 4.046 113 HA THR 36 HA THR 36 9.056 0.424 4.554 114 HB THR 36 HB THR 36 9.628 -1.931 5.231 115 HG1 THR 36 HG1 THR 36 7.956 -3.426 5.203 116 1HG2 THR 36 2HG2 THR 36 8.599 -0.349 6.851 117 2HG2 THR 36 3HG2 THR 36 6.982 -0.896 6.362 118 3HG2 THR 36 1HG2 THR 36 8.108 -2.023 7.149 119 H GLY 37 H GLY 37 7.794 -1.308 1.768 120 1HA GLY 37 2HA GLY 37 10.053 -2.241 0.453 121 2HA GLY 37 1HA GLY 37 10.150 -0.494 0.263 122 H HIS 38 H HIS 38 6.834 -1.520 0.196 123 HA HIS 38 HA HIS 38 6.716 -2.443 -2.495 124 1HB HIS 38 1HB HIS 38 4.430 -2.605 -2.237 125 2HB HIS 38 2HB HIS 38 5.061 -2.903 -0.638 126 HD1 HIS 38 HD1 HIS 38 4.813 0.817 -1.252 127 HD2 HIS 38 HD2 HIS 38 2.308 -2.380 -0.157 128 HE1 HIS 38 HE1 HIS 38 2.692 1.858 -0.296 129 H VAL 39 H VAL 39 5.215 -1.491 -4.132 130 HA VAL 39 HA VAL 39 5.402 1.466 -4.484 131 HB VAL 39 HB VAL 39 6.043 -0.618 -6.623 132 1HG1 VAL 39 3HG1 VAL 39 6.130 2.431 -6.728 133 2HG1 VAL 39 1HG1 VAL 39 6.822 1.357 -7.958 134 3HG1 VAL 39 2HG1 VAL 39 5.092 1.357 -7.702 135 1HG2 VAL 39 3HG2 VAL 39 7.900 1.319 -5.172 136 2HG2 VAL 39 1HG2 VAL 39 7.935 -0.456 -5.065 137 3HG2 VAL 39 2HG2 VAL 39 8.346 0.331 -6.582 138 H MET 40 H MET 40 3.707 2.232 -6.058 139 HA MET 40 HA MET 40 1.148 1.066 -5.601 140 1HB MET 40 1HB MET 40 2.071 3.100 -7.664 141 2HB MET 40 2HB MET 40 0.378 2.684 -7.372 142 1HG MET 40 1HG MET 40 2.274 3.827 -5.287 143 2HG MET 40 2HG MET 40 1.056 4.733 -6.179 144 1HE MET 40 2HE MET 40 1.453 4.590 -2.945 145 2HE MET 40 3HE MET 40 0.279 5.655 -3.754 146 3HE MET 40 1HE MET 40 -0.249 4.589 -2.433 147 H ALA 41 H ALA 41 3.491 0.027 -7.891 148 HA ALA 41 HA ALA 41 1.707 -1.398 -9.680 149 1HB ALA 41 3HB ALA 41 4.037 -0.787 -10.248 150 2HB ALA 41 1HB ALA 41 4.638 -1.844 -8.946 151 3HB ALA 41 2HB ALA 41 3.788 -2.539 -10.343 152 H LYS 42 H LYS 42 2.462 -1.889 -6.395 153 HA LYS 42 HA LYS 42 1.621 -4.762 -6.422 154 1HB LYS 42 1HB LYS 42 4.069 -4.474 -6.071 155 2HB LYS 42 2HB LYS 42 3.751 -3.333 -4.779 156 1HG LYS 42 1HG LYS 42 4.324 -5.180 -3.597 157 2HG LYS 42 2HG LYS 42 2.586 -5.300 -3.542 158 1HD LYS 42 1HD LYS 42 4.513 -6.874 -5.289 159 2HD LYS 42 2HD LYS 42 3.624 -7.478 -3.899 160 1HE LYS 42 1HE LYS 42 2.452 -6.655 -6.587 161 2HE LYS 42 2HE LYS 42 2.688 -8.297 -5.998 162 1HZ LYS 42 1HZ LYS 42 1.064 -7.819 -4.192 163 2HZ LYS 42 2HZ LYS 42 0.820 -6.319 -4.783 164 3HZ LYS 42 3HZ LYS 42 0.412 -7.631 -5.673 165 H CYS 43 H CYS 43 1.581 -1.709 -4.602 166 HA CYS 43 HA CYS 43 0.273 -2.363 -2.313 167 1HB CYS 43 1HB CYS 43 1.254 -0.197 -2.898 168 2HB CYS 43 2HB CYS 43 -0.113 0.150 -3.969 169 HA PRO 44 HA PRO 44 -4.158 -1.844 -4.422 170 1HB PRO 44 1HB PRO 44 -3.446 -3.417 -6.908 171 2HB PRO 44 2HB PRO 44 -4.759 -2.217 -6.673 172 1HG PRO 44 1HG PRO 44 -2.462 -1.454 -7.864 173 2HG PRO 44 2HG PRO 44 -3.183 -0.407 -6.596 174 1HD PRO 44 1HD PRO 44 -0.900 -2.366 -6.355 175 2HD PRO 44 2HD PRO 44 -1.044 -0.712 -5.686 176 H GLU 45 H GLU 45 -2.109 -4.751 -4.607 177 HA GLU 45 HA GLU 45 -4.337 -6.547 -3.770 178 1HB GLU 45 1HB GLU 45 -2.786 -7.468 -5.286 179 2HB GLU 45 2HB GLU 45 -1.401 -6.878 -4.398 180 1HG GLU 45 1HG GLU 45 -3.260 -8.937 -3.162 181 2HG GLU 45 2HG GLU 45 -2.059 -9.415 -4.352 182 H ARG 46 H ARG 46 -1.470 -4.975 -2.402 183 HA ARG 46 HA ARG 46 -1.249 -6.515 -0.044 184 1HB ARG 46 1HB ARG 46 -0.316 -3.704 -0.716 185 2HB ARG 46 2HB ARG 46 0.255 -4.599 0.674 186 1HG ARG 46 1HG ARG 46 0.654 -5.668 -2.133 187 2HG ARG 46 2HG ARG 46 1.723 -4.451 -1.440 188 1HD ARG 46 1HD ARG 46 2.688 -6.652 -1.163 189 2HD ARG 46 2HD ARG 46 2.321 -5.944 0.406 190 HE ARG 46 HE ARG 46 0.683 -8.041 -1.007 191 1HH1 ARG 46 2HH2 ARG 46 1.501 -6.514 2.083 192 2HH1 ARG 46 1HH2 ARG 46 0.649 -7.739 2.978 193 1HH2 ARG 46 1HH1 ARG 46 -0.571 -9.305 0.165 194 2HH2 ARG 46 2HH1 ARG 46 -0.494 -9.326 1.920 195 H GLN 47 H GLN 47 -3.154 -3.624 -0.529 196 HA GLN 47 HA GLN 47 -3.324 -2.685 2.087 197 1HB GLN 47 1HB GLN 47 -5.323 -2.575 -0.191 198 2HB GLN 47 2HB GLN 47 -5.540 -1.675 1.311 199 1HG GLN 47 1HG GLN 47 -3.562 -0.357 0.936 200 2HG GLN 47 2HG GLN 47 -3.038 -1.393 -0.387 201 1HE2 GLN 47 2HE2 GLN 47 -2.934 0.516 -1.776 202 2HE2 GLN 47 1HE2 GLN 47 -4.436 1.164 -2.439 203 H ALA 48 H ALA 48 -4.891 -2.705 3.723 204 HA ALA 48 HA ALA 48 -5.648 -5.300 4.573 205 1HB ALA 48 1HB ALA 48 -6.471 -4.092 6.559 206 2HB ALA 48 2HB ALA 48 -4.898 -3.462 6.042 207 3HB ALA 48 3HB ALA 48 -6.385 -2.553 5.677 208 H GLY 49 H GLY 49 -7.531 -3.054 2.717 209 1HA GLY 49 2HA GLY 49 -10.171 -3.446 3.586 210 2HA GLY 49 1HA GLY 49 -9.849 -4.788 2.490 No H/Q in entry = 210 Start of MODEL 11 1 H1 ARG 23 2H ARG 23 -6.164 -6.951 4.986 2 H2 ARG 23 1H ARG 23 -7.453 -6.902 5.996 3 H3 ARG 23 3H ARG 23 -7.641 -7.434 4.449 4 HA ARG 23 HA ARG 23 -7.185 -5.303 3.542 5 1HB ARG 23 1HB ARG 23 -9.527 -5.769 4.197 6 2HB ARG 23 2HB ARG 23 -9.211 -5.155 5.815 7 1HG ARG 23 1HG ARG 23 -10.431 -3.505 4.587 8 2HG ARG 23 2HG ARG 23 -8.824 -2.887 4.892 9 1HD ARG 23 1HD ARG 23 -8.710 -4.176 2.328 10 2HD ARG 23 2HD ARG 23 -10.245 -3.304 2.376 11 HE ARG 23 HE ARG 23 -8.118 -1.623 3.356 12 1HH1 ARG 23 2HH1 ARG 23 -9.339 -2.765 0.272 13 2HH1 ARG 23 1HH1 ARG 23 -8.570 -1.449 -0.577 14 1HH2 ARG 23 1HH2 ARG 23 -7.134 -0.140 2.267 15 2HH2 ARG 23 2HH2 ARG 23 -7.251 -0.019 0.521 16 H ALA 24 H ALA 24 -6.176 -3.335 3.666 17 HA ALA 24 HA ALA 24 -5.070 -2.480 6.316 18 1HB ALA 24 1HB ALA 24 -3.910 -2.034 3.538 19 2HB ALA 24 2HB ALA 24 -3.170 -1.574 5.082 20 3HB ALA 24 3HB ALA 24 -3.376 -3.289 4.676 21 HA PRO 25 HA PRO 25 -7.672 0.962 5.829 22 1HB PRO 25 1HB PRO 25 -6.797 2.700 7.730 23 2HB PRO 25 2HB PRO 25 -7.383 1.058 8.135 24 1HG PRO 25 1HG PRO 25 -4.511 1.939 7.692 25 2HG PRO 25 2HG PRO 25 -5.178 1.076 9.120 26 1HD PRO 25 1HD PRO 25 -3.973 -0.267 7.089 27 2HD PRO 25 2HD PRO 25 -5.429 -0.928 7.896 28 H ARG 26 H ARG 26 -4.480 1.443 4.764 29 HA ARG 26 HA ARG 26 -3.252 2.972 3.670 30 1HB ARG 26 1HB ARG 26 -4.785 2.708 1.903 31 2HB ARG 26 2HB ARG 26 -5.972 3.770 2.645 32 1HG ARG 26 1HG ARG 26 -4.954 4.882 0.770 33 2HG ARG 26 2HG ARG 26 -4.580 5.723 2.257 34 1HD ARG 26 1HD ARG 26 -2.562 5.809 1.105 35 2HD ARG 26 2HD ARG 26 -2.298 4.480 2.214 36 HE ARG 26 HE ARG 26 -2.079 3.037 0.451 37 1HH1 ARG 26 2HH2 ARG 26 -3.571 5.944 -0.845 38 2HH1 ARG 26 1HH2 ARG 26 -3.232 5.493 -2.492 39 1HH2 ARG 26 2HH1 ARG 26 -1.663 2.544 -1.693 40 2HH2 ARG 26 1HH1 ARG 26 -2.178 3.638 -2.946 41 H ARG 27 H ARG 27 -5.746 4.689 5.559 42 HA ARG 27 HA ARG 27 -4.480 7.172 5.938 43 1HB ARG 27 1HB ARG 27 -6.740 6.567 6.713 44 2HB ARG 27 2HB ARG 27 -6.063 5.465 7.903 45 1HG ARG 27 1HG ARG 27 -6.846 7.456 8.976 46 2HG ARG 27 2HG ARG 27 -5.106 7.369 9.167 47 1HD ARG 27 1HD ARG 27 -6.464 9.047 7.010 48 2HD ARG 27 2HD ARG 27 -6.158 9.649 8.649 49 HE ARG 27 HE ARG 27 -3.697 8.664 7.743 50 1HH1 ARG 27 2HH1 ARG 27 -5.821 11.300 6.831 51 2HH1 ARG 27 1HH1 ARG 27 -4.510 12.242 6.173 52 1HH2 ARG 27 1HH2 ARG 27 -2.097 9.885 6.884 53 2HH2 ARG 27 2HH2 ARG 27 -2.442 11.454 6.210 54 H GLN 28 H GLN 28 -3.616 4.121 7.350 55 HA GLN 28 HA GLN 28 -1.678 4.754 9.293 56 1HB GLN 28 1HB GLN 28 -2.675 2.572 8.850 57 2HB GLN 28 2HB GLN 28 -1.943 2.519 7.242 58 1HG GLN 28 1HG GLN 28 0.314 2.360 8.341 59 2HG GLN 28 2HG GLN 28 -0.497 2.326 9.916 60 1HE2 GLN 28 1HE2 GLN 28 -1.371 0.285 10.586 61 2HE2 GLN 28 2HE2 GLN 28 -1.371 -1.120 9.533 62 H GLY 29 H GLY 29 -1.437 5.289 5.827 63 1HA GLY 29 2HA GLY 29 1.441 5.942 5.915 64 2HA GLY 29 1HA GLY 29 0.343 6.045 4.533 65 H CYS 30 H CYS 30 -0.694 3.368 4.721 66 HA CYS 30 HA CYS 30 -0.362 1.198 4.240 67 1HB CYS 30 1HB CYS 30 1.255 2.828 2.320 68 2HB CYS 30 2HB CYS 30 1.481 1.088 2.262 69 H TRP 31 H TRP 31 1.499 2.045 6.535 70 HA TRP 31 HA TRP 31 3.985 0.796 6.229 71 1HB TRP 31 1HB TRP 31 3.146 2.368 8.054 72 2HB TRP 31 2HB TRP 31 2.512 0.940 8.867 73 HD1 TRP 31 HD1 TRP 31 4.175 -0.197 10.464 74 HE1 TRP 31 HE1 TRP 31 6.697 -0.082 10.930 75 HE3 TRP 31 HE3 TRP 31 5.582 2.831 6.576 76 HZ2 TRP 31 HZ2 TRP 31 9.025 1.179 9.780 77 HZ3 TRP 31 HZ3 TRP 31 7.971 3.474 6.287 78 HH2 TRP 31 HH2 TRP 31 9.691 2.661 7.880 79 H LYS 32 H LYS 32 0.953 -0.800 7.161 80 HA LYS 32 HA LYS 32 2.276 -3.448 7.474 81 1HB LYS 32 1HB LYS 32 0.512 -2.647 9.026 82 2HB LYS 32 2HB LYS 32 -0.656 -2.631 7.710 83 1HG LYS 32 1HG LYS 32 0.849 -5.191 8.288 84 2HG LYS 32 2HG LYS 32 -0.354 -4.668 9.450 85 1HD LYS 32 1HD LYS 32 -0.955 -5.227 6.511 86 2HD LYS 32 2HD LYS 32 -1.234 -6.314 7.872 87 1HE LYS 32 1HE LYS 32 -2.645 -4.380 8.890 88 2HE LYS 32 2HE LYS 32 -2.605 -3.671 7.269 89 1HZ LYS 32 1HZ LYS 32 -3.607 -5.806 6.448 90 2HZ LYS 32 2HZ LYS 32 -3.691 -6.346 7.985 91 3HZ LYS 32 3HZ LYS 32 -4.575 -5.052 7.518 92 H CYS 33 H CYS 33 0.326 -1.706 5.128 93 HA CYS 33 HA CYS 33 -0.249 -3.806 3.272 94 1HB CYS 33 1HB CYS 33 -1.273 -1.589 3.223 95 2HB CYS 33 2HB CYS 33 0.299 -0.830 2.951 96 H GLY 34 H GLY 34 2.539 -1.556 3.496 97 1HA GLY 34 2HA GLY 34 4.240 -3.322 1.810 98 2HA GLY 34 1HA GLY 34 4.610 -3.227 3.532 99 H LYS 35 H LYS 35 3.807 -0.174 3.350 100 HA LYS 35 HA LYS 35 5.429 1.137 1.480 101 1HB LYS 35 1HB LYS 35 3.563 2.086 2.752 102 2HB LYS 35 2HB LYS 35 4.535 2.134 4.218 103 1HG LYS 35 1HG LYS 35 5.573 3.504 1.734 104 2HG LYS 35 2HG LYS 35 4.201 4.235 2.545 105 1HD LYS 35 1HD LYS 35 5.345 4.671 4.531 106 2HD LYS 35 2HD LYS 35 6.625 3.514 4.213 107 1HE LYS 35 1HE LYS 35 6.207 6.118 2.681 108 2HE LYS 35 2HE LYS 35 7.361 5.869 3.995 109 1HZ LYS 35 1HZ LYS 35 8.357 4.060 2.586 110 2HZ LYS 35 2HZ LYS 35 7.419 4.536 1.348 111 3HZ LYS 35 3HZ LYS 35 8.531 5.566 1.952 112 H THR 36 H THR 36 6.639 -0.563 4.153 113 HA THR 36 HA THR 36 9.219 0.613 4.528 114 HB THR 36 HB THR 36 9.883 -1.739 5.102 115 HG1 THR 36 HG1 THR 36 8.252 -3.288 5.093 116 1HG2 THR 36 1HG2 THR 36 8.861 -0.253 6.813 117 2HG2 THR 36 2HG2 THR 36 7.247 -0.851 6.370 118 3HG2 THR 36 3HG2 THR 36 8.449 -1.954 7.073 119 H GLY 37 H GLY 37 7.886 -1.109 1.753 120 1HA GLY 37 2HA GLY 37 10.177 -1.966 0.403 121 2HA GLY 37 1HA GLY 37 10.122 -0.227 0.133 122 H HIS 38 H HIS 38 6.882 -1.361 0.212 123 HA HIS 38 HA HIS 38 6.712 -2.505 -2.394 124 1HB HIS 38 1HB HIS 38 4.419 -2.632 -2.086 125 2HB HIS 38 2HB HIS 38 5.102 -2.854 -0.495 126 HD1 HIS 38 HD1 HIS 38 4.951 0.824 -1.104 127 HD2 HIS 38 HD2 HIS 38 2.289 -2.282 -0.133 128 HE1 HIS 38 HE1 HIS 38 2.868 1.938 -0.144 129 H VAL 39 H VAL 39 5.159 -1.678 -4.070 130 HA VAL 39 HA VAL 39 5.642 1.186 -4.794 131 HB VAL 39 HB VAL 39 6.019 -1.266 -6.575 132 1HG1 VAL 39 2HG1 VAL 39 6.423 1.695 -7.193 133 2HG1 VAL 39 3HG1 VAL 39 7.001 0.361 -8.210 134 3HG1 VAL 39 1HG1 VAL 39 5.280 0.576 -7.987 135 1HG2 VAL 39 1HG2 VAL 39 8.076 0.682 -5.442 136 2HG2 VAL 39 2HG2 VAL 39 7.922 -1.041 -5.034 137 3HG2 VAL 39 3HG2 VAL 39 8.410 -0.572 -6.656 138 H MET 40 H MET 40 4.094 1.978 -6.423 139 HA MET 40 HA MET 40 1.404 1.420 -5.899 140 1HB MET 40 1HB MET 40 0.895 2.855 -7.783 141 2HB MET 40 2HB MET 40 2.237 3.507 -6.848 142 1HG MET 40 1HG MET 40 3.836 2.592 -8.552 143 2HG MET 40 2HG MET 40 2.466 1.969 -9.469 144 1HE MET 40 1HE MET 40 4.594 5.047 -8.438 145 2HE MET 40 2HE MET 40 3.664 6.427 -9.060 146 3HE MET 40 3HE MET 40 3.070 5.527 -7.652 147 H ALA 41 H ALA 41 3.433 -0.446 -8.019 148 HA ALA 41 HA ALA 41 1.270 -1.740 -9.490 149 1HB ALA 41 2HB ALA 41 3.556 -1.459 -10.401 150 2HB ALA 41 3HB ALA 41 4.205 -2.483 -9.096 151 3HB ALA 41 1HB ALA 41 3.101 -3.169 -10.307 152 H LYS 42 H LYS 42 2.290 -2.016 -6.283 153 HA LYS 42 HA LYS 42 1.322 -4.840 -5.954 154 1HB LYS 42 1HB LYS 42 3.782 -4.652 -5.923 155 2HB LYS 42 2HB LYS 42 3.696 -3.413 -4.680 156 1HG LYS 42 1HG LYS 42 4.382 -5.539 -3.757 157 2HG LYS 42 2HG LYS 42 2.850 -5.035 -3.049 158 1HD LYS 42 1HD LYS 42 1.617 -6.665 -4.351 159 2HD LYS 42 2HD LYS 42 3.035 -7.015 -5.365 160 1HE LYS 42 1HE LYS 42 4.243 -7.939 -3.449 161 2HE LYS 42 2HE LYS 42 2.926 -7.502 -2.356 162 1HZ LYS 42 1HZ LYS 42 2.654 -9.436 -4.595 163 2HZ LYS 42 2HZ LYS 42 2.829 -9.851 -3.023 164 3HZ LYS 42 3HZ LYS 42 1.485 -9.060 -3.517 165 H CYS 43 H CYS 43 1.565 -1.612 -4.437 166 HA CYS 43 HA CYS 43 0.271 -2.099 -2.032 167 1HB CYS 43 1HB CYS 43 1.362 -0.019 -2.620 168 2HB CYS 43 2HB CYS 43 0.136 0.352 -3.829 169 HA PRO 44 HA PRO 44 -4.130 -1.548 -4.088 170 1HB PRO 44 1HB PRO 44 -3.539 -2.829 -6.756 171 2HB PRO 44 2HB PRO 44 -4.756 -1.580 -6.347 172 1HG PRO 44 1HG PRO 44 -2.447 -0.877 -7.566 173 2HG PRO 44 2HG PRO 44 -3.074 0.113 -6.206 174 1HD PRO 44 1HD PRO 44 -0.918 -2.009 -6.146 175 2HD PRO 44 2HD PRO 44 -0.923 -0.379 -5.414 176 H GLU 45 H GLU 45 -2.003 -4.306 -4.838 177 HA GLU 45 HA GLU 45 -4.069 -6.352 -4.361 178 1HB GLU 45 1HB GLU 45 -2.155 -6.672 -5.944 179 2HB GLU 45 2HB GLU 45 -1.040 -6.541 -4.591 180 1HG GLU 45 1HG GLU 45 -2.784 -8.561 -3.735 181 2HG GLU 45 2HG GLU 45 -2.723 -8.817 -5.471 182 H ARG 46 H ARG 46 -1.125 -5.159 -2.653 183 HA ARG 46 HA ARG 46 -1.417 -6.787 -0.328 184 1HB ARG 46 1HB ARG 46 0.079 -4.240 -0.996 185 2HB ARG 46 2HB ARG 46 0.019 -4.791 0.663 186 1HG ARG 46 1HG ARG 46 1.059 -6.436 -1.678 187 2HG ARG 46 2HG ARG 46 2.055 -5.550 -0.522 188 1HD ARG 46 1HD ARG 46 0.337 -7.997 0.018 189 2HD ARG 46 2HD ARG 46 2.087 -7.865 0.116 190 HE ARG 46 HE ARG 46 1.679 -6.167 1.987 191 1HH1 ARG 46 1HH1 ARG 46 -0.782 -8.680 1.527 192 2HH1 ARG 46 2HH1 ARG 46 -1.501 -8.224 3.079 193 1HH2 ARG 46 2HH2 ARG 46 0.727 -5.943 4.022 194 2HH2 ARG 46 1HH2 ARG 46 -0.750 -6.869 4.308 195 H GLN 47 H GLN 47 -2.889 -3.656 -1.003 196 HA GLN 47 HA GLN 47 -3.958 -3.073 1.525 197 1HB GLN 47 1HB GLN 47 -4.862 -2.590 -1.318 198 2HB GLN 47 2HB GLN 47 -5.940 -2.190 0.010 199 1HG GLN 47 1HG GLN 47 -4.262 -0.712 1.025 200 2HG GLN 47 2HG GLN 47 -3.103 -1.126 -0.238 201 1HE2 GLN 47 1HE2 GLN 47 -3.005 0.372 -1.882 202 2HE2 GLN 47 2HE2 GLN 47 -4.365 1.385 -2.377 203 H ALA 48 H ALA 48 -4.955 -5.748 -0.580 204 HA ALA 48 HA ALA 48 -7.503 -6.185 0.735 205 1HB ALA 48 1HB ALA 48 -6.967 -6.939 -1.575 206 2HB ALA 48 2HB ALA 48 -5.786 -8.091 -0.907 207 3HB ALA 48 3HB ALA 48 -7.510 -8.266 -0.531 208 H GLY 49 H GLY 49 -4.244 -6.853 1.725 209 1HA GLY 49 2HA GLY 49 -3.623 -8.980 2.914 210 2HA GLY 49 1HA GLY 49 -5.128 -8.848 3.807 No H/Q in entry = 210 Start of MODEL 12 1 H1 ARG 23 3H ARG 23 -10.201 0.813 -0.605 2 H2 ARG 23 2H ARG 23 -10.218 0.763 -2.244 3 H3 ARG 23 1H ARG 23 -9.852 -0.583 -1.353 4 HA ARG 23 HA ARG 23 -7.819 0.263 -0.607 5 1HB ARG 23 1HB ARG 23 -8.248 0.453 -3.605 6 2HB ARG 23 2HB ARG 23 -6.743 1.014 -2.899 7 1HG ARG 23 1HG ARG 23 -6.143 -1.098 -3.375 8 2HG ARG 23 2HG ARG 23 -6.624 -1.279 -1.694 9 1HD ARG 23 1HD ARG 23 -8.827 -2.230 -2.485 10 2HD ARG 23 2HD ARG 23 -8.273 -2.028 -4.146 11 HE ARG 23 HE ARG 23 -6.700 -3.770 -3.881 12 1HH1 ARG 23 2HH2 ARG 23 -8.318 -3.313 -0.760 13 2HH1 ARG 23 1HH2 ARG 23 -7.557 -4.781 -0.158 14 1HH2 ARG 23 1HH1 ARG 23 -5.792 -5.462 -2.956 15 2HH2 ARG 23 2HH1 ARG 23 -6.139 -5.878 -1.279 16 H ALA 24 H ALA 24 -6.765 1.854 0.247 17 HA ALA 24 HA ALA 24 -6.533 4.493 -0.846 18 1HB ALA 24 2HB ALA 24 -8.719 4.842 0.235 19 2HB ALA 24 1HB ALA 24 -7.462 5.714 1.126 20 3HB ALA 24 3HB ALA 24 -8.099 4.182 1.763 21 HA PRO 25 HA PRO 25 -2.927 3.430 1.736 22 1HB PRO 25 1HB PRO 25 -1.132 5.288 0.882 23 2HB PRO 25 2HB PRO 25 -1.674 3.933 -0.151 24 1HG PRO 25 1HG PRO 25 -2.691 6.788 -0.166 25 2HG PRO 25 2HG PRO 25 -2.193 5.777 -1.559 26 1HD PRO 25 1HD PRO 25 -4.815 6.048 -0.787 27 2HD PRO 25 2HD PRO 25 -4.178 4.535 -1.497 28 H ARG 26 H ARG 26 -4.223 6.741 1.624 29 HA ARG 26 HA ARG 26 -2.598 7.855 3.655 30 1HB ARG 26 1HB ARG 26 -3.892 9.819 3.417 31 2HB ARG 26 2HB ARG 26 -3.768 9.086 1.837 32 1HG ARG 26 1HG ARG 26 -5.998 9.018 1.606 33 2HG ARG 26 2HG ARG 26 -6.202 8.076 3.074 34 1HD ARG 26 1HD ARG 26 -6.016 11.112 2.895 35 2HD ARG 26 2HD ARG 26 -7.485 10.155 3.160 36 HE ARG 26 HE ARG 26 -5.446 9.609 5.168 37 1HH1 ARG 26 1HH1 ARG 26 -7.918 11.978 4.415 38 2HH1 ARG 26 2HH1 ARG 26 -8.060 12.476 6.081 39 1HH2 ARG 26 1HH2 ARG 26 -5.677 10.267 7.233 40 2HH2 ARG 26 2HH2 ARG 26 -6.813 11.524 7.640 41 H ARG 27 H ARG 27 -5.034 5.693 4.249 42 HA ARG 27 HA ARG 27 -5.746 6.633 6.974 43 1HB ARG 27 1HB ARG 27 -7.136 4.617 7.052 44 2HB ARG 27 2HB ARG 27 -7.439 5.544 5.582 45 1HG ARG 27 1HG ARG 27 -5.873 3.979 4.354 46 2HG ARG 27 2HG ARG 27 -5.782 2.984 5.812 47 1HD ARG 27 1HD ARG 27 -8.117 2.437 5.682 48 2HD ARG 27 2HD ARG 27 -8.405 3.679 4.440 49 HE ARG 27 HE ARG 27 -6.472 2.092 3.296 50 1HH1 ARG 27 2HH1 ARG 27 -9.811 1.504 4.303 51 2HH1 ARG 27 1HH1 ARG 27 -9.981 0.266 3.053 52 1HH2 ARG 27 1HH2 ARG 27 -6.831 0.367 1.887 53 2HH2 ARG 27 2HH2 ARG 27 -8.473 -0.294 1.844 54 H GLN 28 H GLN 28 -3.199 4.858 5.584 55 HA GLN 28 HA GLN 28 -2.305 3.806 8.245 56 1HB GLN 28 1HB GLN 28 -3.523 2.145 6.657 57 2HB GLN 28 2HB GLN 28 -2.119 2.303 5.606 58 1HG GLN 28 1HG GLN 28 -0.721 1.524 7.666 59 2HG GLN 28 2HG GLN 28 -2.268 1.141 8.418 60 1HE2 GLN 28 2HE2 GLN 28 -3.571 -0.625 7.391 61 2HE2 GLN 28 1HE2 GLN 28 -2.758 -1.741 6.306 62 H GLY 29 H GLY 29 -1.466 5.501 5.339 63 1HA GLY 29 2HA GLY 29 1.368 5.793 5.831 64 2HA GLY 29 1HA GLY 29 0.494 6.117 4.324 65 H CYS 30 H CYS 30 -0.625 3.407 4.171 66 HA CYS 30 HA CYS 30 -0.280 1.197 3.999 67 1HB CYS 30 1HB CYS 30 1.468 2.560 1.979 68 2HB CYS 30 2HB CYS 30 1.505 0.791 2.085 69 H TRP 31 H TRP 31 1.370 2.241 6.280 70 HA TRP 31 HA TRP 31 3.920 1.000 6.195 71 1HB TRP 31 1HB TRP 31 3.057 2.964 7.599 72 2HB TRP 31 2HB TRP 31 2.442 1.758 8.722 73 HD1 TRP 31 HD1 TRP 31 4.082 1.340 10.631 74 HE1 TRP 31 HE1 TRP 31 6.618 1.488 11.018 75 HE3 TRP 31 HE3 TRP 31 5.550 2.722 5.915 76 HZ2 TRP 31 HZ2 TRP 31 8.977 2.125 9.485 77 HZ3 TRP 31 HZ3 TRP 31 7.961 3.078 5.410 78 HH2 TRP 31 HH2 TRP 31 9.673 2.796 7.182 79 H LYS 32 H LYS 32 1.096 -0.700 6.375 80 HA LYS 32 HA LYS 32 2.600 -3.107 7.298 81 1HB LYS 32 1HB LYS 32 0.870 -2.182 9.024 82 2HB LYS 32 2HB LYS 32 -0.349 -2.683 7.865 83 1HG LYS 32 1HG LYS 32 -0.304 -4.478 9.272 84 2HG LYS 32 2HG LYS 32 0.789 -5.053 8.032 85 1HD LYS 32 1HD LYS 32 1.574 -3.857 10.740 86 2HD LYS 32 2HD LYS 32 1.512 -5.557 10.326 87 1HE LYS 32 1HE LYS 32 3.707 -5.350 10.039 88 2HE LYS 32 2HE LYS 32 3.252 -4.845 8.418 89 1HZ LYS 32 1HZ LYS 32 3.810 -2.999 10.699 90 2HZ LYS 32 2HZ LYS 32 4.871 -3.344 9.515 91 3HZ LYS 32 3HZ LYS 32 3.525 -2.511 9.158 92 H CYS 33 H CYS 33 0.206 -1.743 5.122 93 HA CYS 33 HA CYS 33 -0.244 -3.908 3.358 94 1HB CYS 33 1HB CYS 33 -1.359 -1.773 3.174 95 2HB CYS 33 2HB CYS 33 0.176 -0.917 3.006 96 H GLY 34 H GLY 34 2.532 -1.631 3.526 97 1HA GLY 34 2HA GLY 34 4.181 -3.375 1.760 98 2HA GLY 34 1HA GLY 34 4.593 -3.308 3.469 99 H LYS 35 H LYS 35 3.753 -0.164 3.083 100 HA LYS 35 HA LYS 35 5.701 0.856 1.265 101 1HB LYS 35 1HB LYS 35 3.531 1.927 2.335 102 2HB LYS 35 2HB LYS 35 4.661 2.535 3.530 103 1HG LYS 35 1HG LYS 35 5.987 3.228 1.212 104 2HG LYS 35 2HG LYS 35 4.367 3.125 0.577 105 1HD LYS 35 1HD LYS 35 4.914 5.419 1.183 106 2HD LYS 35 2HD LYS 35 3.585 4.825 2.167 107 1HE LYS 35 1HE LYS 35 5.168 6.158 3.494 108 2HE LYS 35 2HE LYS 35 5.069 4.505 4.088 109 1HZ LYS 35 2HZ LYS 35 7.234 5.531 2.322 110 2HZ LYS 35 3HZ LYS 35 7.377 5.311 3.930 111 3HZ LYS 35 1HZ LYS 35 7.167 4.016 2.950 112 H THR 36 H THR 36 6.578 -0.697 3.942 113 HA THR 36 HA THR 36 9.010 0.717 4.691 114 HB THR 36 HB THR 36 9.759 -1.606 5.304 115 HG1 THR 36 HG1 THR 36 8.219 -3.238 5.173 116 1HG2 THR 36 3HG2 THR 36 8.558 -0.202 6.960 117 2HG2 THR 36 1HG2 THR 36 7.003 -0.842 6.388 118 3HG2 THR 36 2HG2 THR 36 8.186 -1.919 7.163 119 H GLY 37 H GLY 37 7.923 -1.116 1.878 120 1HA GLY 37 2HA GLY 37 10.305 -1.806 0.611 121 2HA GLY 37 1HA GLY 37 10.144 -0.076 0.324 122 H HIS 38 H HIS 38 6.979 -1.424 0.309 123 HA HIS 38 HA HIS 38 6.953 -2.629 -2.254 124 1HB HIS 38 1HB HIS 38 4.658 -2.808 -2.063 125 2HB HIS 38 2HB HIS 38 5.245 -2.929 -0.427 126 HD1 HIS 38 HD1 HIS 38 4.960 0.708 -1.337 127 HD2 HIS 38 HD2 HIS 38 2.419 -2.441 -0.199 128 HE1 HIS 38 HE1 HIS 38 2.768 1.781 -0.592 129 H VAL 39 H VAL 39 5.646 -1.967 -4.111 130 HA VAL 39 HA VAL 39 5.956 0.920 -4.830 131 HB VAL 39 HB VAL 39 7.360 -0.621 -6.129 132 1HG1 VAL 39 2HG1 VAL 39 5.963 -2.656 -6.140 133 2HG1 VAL 39 3HG1 VAL 39 4.776 -1.846 -7.184 134 3HG1 VAL 39 1HG1 VAL 39 6.415 -2.162 -7.773 135 1HG2 VAL 39 3HG2 VAL 39 6.521 1.484 -7.140 136 2HG2 VAL 39 1HG2 VAL 39 6.845 0.209 -8.322 137 3HG2 VAL 39 2HG2 VAL 39 5.175 0.577 -7.873 138 H MET 40 H MET 40 4.214 1.939 -5.936 139 HA MET 40 HA MET 40 1.659 1.192 -4.905 140 1HB MET 40 1HB MET 40 2.295 3.275 -7.021 141 2HB MET 40 2HB MET 40 0.804 3.151 -6.086 142 1HG MET 40 1HG MET 40 3.572 3.861 -5.085 143 2HG MET 40 2HG MET 40 2.139 4.870 -5.099 144 1HE MET 40 3HE MET 40 0.066 4.562 -3.434 145 2HE MET 40 1HE MET 40 -0.122 2.839 -3.844 146 3HE MET 40 2HE MET 40 0.002 3.337 -2.147 147 H ALA 41 H ALA 41 3.138 -0.092 -7.669 148 HA ALA 41 HA ALA 41 0.632 -0.899 -8.989 149 1HB ALA 41 3HB ALA 41 2.703 -0.521 -10.279 150 2HB ALA 41 1HB ALA 41 3.515 -1.819 -9.371 151 3HB ALA 41 2HB ALA 41 2.140 -2.195 -10.428 152 H LYS 42 H LYS 42 2.586 -2.061 -6.346 153 HA LYS 42 HA LYS 42 1.329 -4.775 -6.328 154 1HB LYS 42 1HB LYS 42 3.762 -4.712 -6.144 155 2HB LYS 42 2HB LYS 42 3.681 -3.531 -4.847 156 1HG LYS 42 1HG LYS 42 4.248 -5.696 -3.956 157 2HG LYS 42 2HG LYS 42 2.713 -5.148 -3.319 158 1HD LYS 42 1HD LYS 42 2.593 -7.507 -3.748 159 2HD LYS 42 2HD LYS 42 1.525 -6.699 -4.899 160 1HE LYS 42 1HE LYS 42 3.171 -6.945 -6.687 161 2HE LYS 42 2HE LYS 42 4.379 -7.552 -5.545 162 1HZ LYS 42 1HZ LYS 42 1.823 -8.952 -6.185 163 2HZ LYS 42 2HZ LYS 42 3.300 -9.370 -6.759 164 3HZ LYS 42 3HZ LYS 42 2.964 -9.493 -5.164 165 H CYS 43 H CYS 43 1.487 -1.752 -4.480 166 HA CYS 43 HA CYS 43 0.170 -2.372 -2.160 167 1HB CYS 43 1HB CYS 43 1.174 -0.243 -2.702 168 2HB CYS 43 2HB CYS 43 -0.049 0.101 -3.916 169 HA PRO 44 HA PRO 44 -4.281 -2.128 -4.282 170 1HB PRO 44 1HB PRO 44 -3.412 -3.226 -6.962 171 2HB PRO 44 2HB PRO 44 -4.824 -2.191 -6.574 172 1HG PRO 44 1HG PRO 44 -2.589 -1.100 -7.639 173 2HG PRO 44 2HG PRO 44 -3.425 -0.277 -6.279 174 1HD PRO 44 1HD PRO 44 -0.954 -2.007 -6.199 175 2HD PRO 44 2HD PRO 44 -1.314 -0.470 -5.353 176 H GLU 45 H GLU 45 -1.837 -4.639 -4.698 177 HA GLU 45 HA GLU 45 -3.784 -6.871 -4.581 178 1HB GLU 45 1HB GLU 45 -1.561 -6.828 -5.886 179 2HB GLU 45 2HB GLU 45 -0.763 -6.896 -4.314 180 1HG GLU 45 1HG GLU 45 -2.160 -9.049 -3.908 181 2HG GLU 45 2HG GLU 45 -2.471 -9.007 -5.648 182 H ARG 46 H ARG 46 -1.496 -5.126 -2.493 183 HA ARG 46 HA ARG 46 -1.575 -7.128 -0.361 184 1HB ARG 46 1HB ARG 46 -0.191 -4.436 -0.628 185 2HB ARG 46 2HB ARG 46 0.056 -5.550 0.712 186 1HG ARG 46 1HG ARG 46 0.737 -6.165 -2.199 187 2HG ARG 46 2HG ARG 46 1.852 -5.568 -0.979 188 1HD ARG 46 1HD ARG 46 2.337 -7.788 -0.904 189 2HD ARG 46 2HD ARG 46 1.170 -7.674 0.403 190 HE ARG 46 HE ARG 46 0.629 -8.717 -2.390 191 1HH1 ARG 46 1HH2 ARG 46 -0.198 -8.950 1.029 192 2HH1 ARG 46 2HH2 ARG 46 -1.193 -10.351 0.738 193 1HH2 ARG 46 2HH1 ARG 46 -0.512 -10.399 -2.650 194 2HH2 ARG 46 1HH1 ARG 46 -1.397 -11.176 -1.335 195 H GLN 47 H GLN 47 -3.112 -3.959 -0.765 196 HA GLN 47 HA GLN 47 -3.674 -3.449 1.962 197 1HB GLN 47 1HB GLN 47 -5.155 -2.700 -0.578 198 2HB GLN 47 2HB GLN 47 -5.710 -2.195 1.022 199 1HG GLN 47 1HG GLN 47 -3.457 -1.128 1.420 200 2HG GLN 47 2HG GLN 47 -3.038 -1.514 -0.252 201 1HE2 GLN 47 1HE2 GLN 47 -3.016 0.525 -1.239 202 2HE2 GLN 47 2HE2 GLN 47 -4.382 1.625 -1.191 203 H ALA 48 H ALA 48 -5.393 -3.819 3.348 204 HA ALA 48 HA ALA 48 -6.724 -6.376 3.096 205 1HB ALA 48 2HB ALA 48 -7.483 -5.871 5.380 206 2HB ALA 48 3HB ALA 48 -5.754 -5.529 5.200 207 3HB ALA 48 1HB ALA 48 -6.930 -4.190 5.214 208 H GLY 49 H GLY 49 -7.728 -3.217 2.136 209 1HA GLY 49 2HA GLY 49 -10.529 -3.230 2.602 210 2HA GLY 49 1HA GLY 49 -10.250 -4.057 1.067 No H/Q in entry = 210 Start of MODEL 13 1 H1 ARG 23 2H ARG 23 -6.806 -0.313 1.490 2 H2 ARG 23 1H ARG 23 -7.251 -0.836 2.980 3 H3 ARG 23 3H ARG 23 -8.026 -1.408 1.655 4 HA ARG 23 HA ARG 23 -8.869 0.782 1.114 5 1HB ARG 23 1HB ARG 23 -10.648 0.828 2.712 6 2HB ARG 23 2HB ARG 23 -10.228 -0.851 2.421 7 1HG ARG 23 1HG ARG 23 -8.883 -0.796 4.610 8 2HG ARG 23 2HG ARG 23 -9.520 0.830 4.870 9 1HD ARG 23 1HD ARG 23 -10.911 -0.606 6.117 10 2HD ARG 23 2HD ARG 23 -11.850 -0.155 4.686 11 HE ARG 23 HE ARG 23 -10.334 -2.677 4.453 12 1HH1 ARG 23 2HH2 ARG 23 -13.435 -1.345 5.389 13 2HH1 ARG 23 1HH2 ARG 23 -14.221 -2.897 5.295 14 1HH2 ARG 23 1HH1 ARG 23 -11.366 -4.614 4.433 15 2HH2 ARG 23 2HH1 ARG 23 -13.083 -4.694 4.741 16 H ALA 24 H ALA 24 -9.422 2.946 2.069 17 HA ALA 24 HA ALA 24 -8.409 5.017 2.620 18 1HB ALA 24 2HB ALA 24 -10.332 4.386 3.978 19 2HB ALA 24 1HB ALA 24 -9.183 5.346 4.928 20 3HB ALA 24 3HB ALA 24 -9.269 3.585 5.159 21 HA PRO 25 HA PRO 25 -4.187 3.609 3.949 22 1HB PRO 25 1HB PRO 25 -2.649 5.249 2.342 23 2HB PRO 25 2HB PRO 25 -3.332 3.673 1.843 24 1HG PRO 25 1HG PRO 25 -4.469 6.437 1.345 25 2HG PRO 25 2HG PRO 25 -4.268 5.092 0.175 26 1HD PRO 25 1HD PRO 25 -6.649 5.581 1.374 27 2HD PRO 25 2HD PRO 25 -6.095 3.900 1.096 28 H ARG 26 H ARG 26 -5.602 6.811 3.945 29 HA ARG 26 HA ARG 26 -3.758 8.355 5.364 30 1HB ARG 26 1HB ARG 26 -5.852 9.159 4.351 31 2HB ARG 26 2HB ARG 26 -6.795 8.290 5.552 32 1HG ARG 26 1HG ARG 26 -6.794 10.631 6.038 33 2HG ARG 26 2HG ARG 26 -5.965 9.794 7.336 34 1HD ARG 26 1HD ARG 26 -4.466 11.132 5.041 35 2HD ARG 26 2HD ARG 26 -5.018 12.030 6.465 36 HE ARG 26 HE ARG 26 -3.564 9.741 7.350 37 1HH1 ARG 26 1HH2 ARG 26 -2.912 12.877 5.921 38 2HH1 ARG 26 2HH2 ARG 26 -1.318 12.956 6.622 39 1HH2 ARG 26 2HH1 ARG 26 -1.546 9.886 8.173 40 2HH2 ARG 26 1HH1 ARG 26 -0.563 11.292 7.870 41 H ARG 27 H ARG 27 -5.859 5.845 6.748 42 HA ARG 27 HA ARG 27 -4.925 6.510 9.493 43 1HB ARG 27 1HB ARG 27 -6.588 4.926 10.302 44 2HB ARG 27 2HB ARG 27 -7.251 6.187 9.292 45 1HG ARG 27 1HG ARG 27 -8.439 4.252 8.759 46 2HG ARG 27 2HG ARG 27 -7.413 4.573 7.391 47 1HD ARG 27 1HD ARG 27 -6.011 2.744 9.160 48 2HD ARG 27 2HD ARG 27 -7.678 2.207 9.030 49 HE ARG 27 HE ARG 27 -6.564 2.840 6.426 50 1HH1 ARG 27 2HH2 ARG 27 -6.650 0.203 8.801 51 2HH1 ARG 27 1HH2 ARG 27 -6.303 -0.974 7.531 52 1HH2 ARG 27 1HH1 ARG 27 -6.152 1.183 4.969 53 2HH2 ARG 27 2HH1 ARG 27 -6.053 -0.464 5.543 54 H GLN 28 H GLN 28 -3.428 4.906 7.162 55 HA GLN 28 HA GLN 28 -2.184 2.917 9.025 56 1HB GLN 28 1HB GLN 28 -3.892 1.886 7.599 57 2HB GLN 28 2HB GLN 28 -3.121 2.529 6.152 58 1HG GLN 28 1HG GLN 28 -2.655 0.169 6.388 59 2HG GLN 28 2HG GLN 28 -1.156 1.063 6.551 60 1HE2 GLN 28 1HE2 GLN 28 -0.258 1.309 8.801 61 2HE2 GLN 28 2HE2 GLN 28 -0.696 0.077 9.985 62 H GLY 29 H GLY 29 -1.632 5.259 6.450 63 1HA GLY 29 2HA GLY 29 1.178 5.478 6.784 64 2HA GLY 29 1HA GLY 29 0.240 5.994 5.374 65 H CYS 30 H CYS 30 -0.719 3.321 4.727 66 HA CYS 30 HA CYS 30 -0.285 1.223 4.101 67 1HB CYS 30 1HB CYS 30 1.523 2.977 2.482 68 2HB CYS 30 2HB CYS 30 1.719 1.234 2.312 69 H TRP 31 H TRP 31 1.366 1.990 6.636 70 HA TRP 31 HA TRP 31 3.854 0.674 6.415 71 1HB TRP 31 1HB TRP 31 2.494 2.092 8.401 72 2HB TRP 31 2HB TRP 31 2.732 0.514 9.123 73 HD1 TRP 31 HD1 TRP 31 5.516 -0.345 8.496 74 HE1 TRP 31 HE1 TRP 31 7.639 1.002 9.011 75 HE3 TRP 31 HE3 TRP 31 3.423 4.310 9.006 76 HZ2 TRP 31 HZ2 TRP 31 8.360 3.760 9.455 77 HZ3 TRP 31 HZ3 TRP 31 4.868 6.288 9.456 78 HH2 TRP 31 HH2 TRP 31 7.328 6.025 9.668 79 H LYS 32 H LYS 32 0.747 -0.727 7.400 80 HA LYS 32 HA LYS 32 1.771 -3.453 7.726 81 1HB LYS 32 1HB LYS 32 -0.229 -2.486 8.884 82 2HB LYS 32 2HB LYS 32 -1.063 -2.426 7.324 83 1HG LYS 32 1HG LYS 32 -0.959 -4.909 7.172 84 2HG LYS 32 2HG LYS 32 0.017 -4.946 8.644 85 1HD LYS 32 1HD LYS 32 -2.039 -5.497 9.478 86 2HD LYS 32 2HD LYS 32 -2.025 -3.773 9.791 87 1HE LYS 32 1HE LYS 32 -3.438 -5.211 7.487 88 2HE LYS 32 2HE LYS 32 -4.197 -4.609 8.959 89 1HZ LYS 32 2HZ LYS 32 -3.450 -2.334 8.255 90 2HZ LYS 32 3HZ LYS 32 -3.012 -2.968 6.807 91 3HZ LYS 32 1HZ LYS 32 -4.571 -3.002 7.255 92 H CYS 33 H CYS 33 0.296 -1.622 5.105 93 HA CYS 33 HA CYS 33 -0.267 -3.709 3.250 94 1HB CYS 33 1HB CYS 33 -1.259 -1.485 3.178 95 2HB CYS 33 2HB CYS 33 0.333 -0.735 2.979 96 H GLY 34 H GLY 34 2.591 -1.605 3.632 97 1HA GLY 34 2HA GLY 34 4.202 -3.263 1.746 98 2HA GLY 34 1HA GLY 34 4.654 -3.249 3.450 99 H LYS 35 H LYS 35 3.828 -0.184 3.413 100 HA LYS 35 HA LYS 35 5.265 1.306 1.590 101 1HB LYS 35 1HB LYS 35 3.665 2.145 3.211 102 2HB LYS 35 2HB LYS 35 4.789 1.917 4.534 103 1HG LYS 35 1HG LYS 35 5.541 3.677 2.175 104 2HG LYS 35 2HG LYS 35 4.361 4.269 3.318 105 1HD LYS 35 1HD LYS 35 7.232 3.504 3.992 106 2HD LYS 35 2HD LYS 35 6.590 5.123 3.838 107 1HE LYS 35 1HE LYS 35 5.803 3.077 5.965 108 2HE LYS 35 2HE LYS 35 6.889 4.446 6.183 109 1HZ LYS 35 2HZ LYS 35 5.000 5.919 5.622 110 2HZ LYS 35 3HZ LYS 35 3.990 4.622 5.551 111 3HZ LYS 35 1HZ LYS 35 4.716 5.029 6.963 112 H THR 36 H THR 36 6.728 -0.461 4.193 113 HA THR 36 HA THR 36 9.317 0.705 4.318 114 HB THR 36 HB THR 36 10.006 -1.568 5.113 115 HG1 THR 36 HG1 THR 36 8.381 -3.115 5.304 116 1HG2 THR 36 2HG2 THR 36 8.986 0.106 6.673 117 2HG2 THR 36 3HG2 THR 36 7.385 -0.598 6.352 118 3HG2 THR 36 1HG2 THR 36 8.647 -1.570 7.135 119 H GLY 37 H GLY 37 7.910 -1.127 1.686 120 1HA GLY 37 2HA GLY 37 10.130 -2.202 0.381 121 2HA GLY 37 1HA GLY 37 10.224 -0.474 0.055 122 H HIS 38 H HIS 38 6.903 -1.389 0.153 123 HA HIS 38 HA HIS 38 6.686 -2.544 -2.456 124 1HB HIS 38 1HB HIS 38 4.394 -2.593 -2.120 125 2HB HIS 38 2HB HIS 38 5.082 -2.831 -0.534 126 HD1 HIS 38 HD1 HIS 38 5.096 0.844 -1.111 127 HD2 HIS 38 HD2 HIS 38 2.277 -2.141 -0.208 128 HE1 HIS 38 HE1 HIS 38 3.045 2.048 -0.189 129 H VAL 39 H VAL 39 5.100 -1.634 -4.083 130 HA VAL 39 HA VAL 39 5.524 1.252 -4.724 131 HB VAL 39 HB VAL 39 5.861 -1.082 -6.664 132 1HG1 VAL 39 2HG1 VAL 39 6.234 1.919 -7.079 133 2HG1 VAL 39 3HG1 VAL 39 6.746 0.665 -8.225 134 3HG1 VAL 39 1HG1 VAL 39 5.040 0.868 -7.889 135 1HG2 VAL 39 2HG2 VAL 39 7.960 0.792 -5.487 136 2HG2 VAL 39 3HG2 VAL 39 7.833 -0.959 -5.207 137 3HG2 VAL 39 1HG2 VAL 39 8.243 -0.363 -6.809 138 H MET 40 H MET 40 3.836 2.060 -6.236 139 HA MET 40 HA MET 40 1.205 1.267 -5.552 140 1HB MET 40 1HB MET 40 2.190 2.896 -7.922 141 2HB MET 40 2HB MET 40 0.500 2.763 -7.413 142 1HG MET 40 1HG MET 40 1.140 3.637 -5.160 143 2HG MET 40 2HG MET 40 2.770 3.936 -5.761 144 1HE MET 40 3HE MET 40 3.410 5.755 -7.546 145 2HE MET 40 1HE MET 40 2.273 5.096 -8.747 146 3HE MET 40 2HE MET 40 2.244 6.825 -8.354 147 H ALA 41 H ALA 41 3.242 -0.206 -7.945 148 HA ALA 41 HA ALA 41 1.113 -1.545 -9.424 149 1HB ALA 41 2HB ALA 41 3.334 -1.030 -10.395 150 2HB ALA 41 3HB ALA 41 4.107 -2.100 -9.200 151 3HB ALA 41 1HB ALA 41 3.003 -2.770 -10.420 152 H LYS 42 H LYS 42 2.275 -1.988 -6.285 153 HA LYS 42 HA LYS 42 1.565 -4.899 -6.166 154 1HB LYS 42 1HB LYS 42 4.073 -4.165 -6.191 155 2HB LYS 42 2HB LYS 42 3.771 -3.507 -4.591 156 1HG LYS 42 1HG LYS 42 4.779 -5.653 -4.342 157 2HG LYS 42 2HG LYS 42 3.093 -5.817 -3.834 158 1HD LYS 42 1HD LYS 42 2.514 -6.868 -5.975 159 2HD LYS 42 2HD LYS 42 4.140 -6.570 -6.613 160 1HE LYS 42 1HE LYS 42 5.144 -8.119 -5.086 161 2HE LYS 42 2HE LYS 42 3.681 -8.198 -4.094 162 1HZ LYS 42 3HZ LYS 42 3.832 -9.216 -6.874 163 2HZ LYS 42 1HZ LYS 42 3.880 -10.146 -5.528 164 3HZ LYS 42 2HZ LYS 42 2.528 -9.294 -5.872 165 H CYS 43 H CYS 43 1.648 -1.834 -4.424 166 HA CYS 43 HA CYS 43 0.427 -2.347 -2.016 167 1HB CYS 43 1HB CYS 43 1.367 -0.240 -2.809 168 2HB CYS 43 2HB CYS 43 0.065 -0.047 -3.979 169 HA PRO 44 HA PRO 44 -4.031 -2.312 -4.161 170 1HB PRO 44 1HB PRO 44 -3.176 -3.940 -6.559 171 2HB PRO 44 2HB PRO 44 -4.584 -2.843 -6.383 172 1HG PRO 44 1HG PRO 44 -2.359 -1.953 -7.616 173 2HG PRO 44 2HG PRO 44 -3.159 -0.907 -6.394 174 1HD PRO 44 1HD PRO 44 -0.747 -2.689 -6.065 175 2HD PRO 44 2HD PRO 44 -0.994 -1.011 -5.495 176 H GLU 45 H GLU 45 -1.707 -5.022 -4.121 177 HA GLU 45 HA GLU 45 -3.594 -7.181 -3.996 178 1HB GLU 45 1HB GLU 45 -0.832 -6.957 -2.782 179 2HB GLU 45 2HB GLU 45 -1.710 -8.462 -3.018 180 1HG GLU 45 1HG GLU 45 -1.612 -8.200 -5.445 181 2HG GLU 45 2HG GLU 45 -0.771 -6.654 -5.282 182 H ARG 46 H ARG 46 -2.601 -4.905 -1.540 183 HA ARG 46 HA ARG 46 -3.392 -6.725 0.697 184 1HB ARG 46 1HB ARG 46 -1.786 -4.154 0.848 185 2HB ARG 46 2HB ARG 46 -1.986 -5.377 2.095 186 1HG ARG 46 1HG ARG 46 0.037 -6.087 1.387 187 2HG ARG 46 2HG ARG 46 -0.907 -6.953 0.181 188 1HD ARG 46 1HD ARG 46 -0.591 -4.812 -1.293 189 2HD ARG 46 2HD ARG 46 0.642 -4.339 -0.138 190 HE ARG 46 HE ARG 46 0.820 -6.327 -2.229 191 1HH1 ARG 46 2HH2 ARG 46 2.291 -5.569 0.873 192 2HH1 ARG 46 1HH2 ARG 46 3.563 -6.743 0.619 193 1HH2 ARG 46 2HH1 ARG 46 2.275 -7.832 -2.407 194 2HH2 ARG 46 1HH1 ARG 46 3.584 -7.998 -1.236 195 H GLN 47 H GLN 47 -5.000 -4.568 -1.042 196 HA GLN 47 HA GLN 47 -5.870 -2.657 0.895 197 1HB GLN 47 1HB GLN 47 -6.973 -3.373 -1.857 198 2HB GLN 47 2HB GLN 47 -7.479 -1.966 -0.920 199 1HG GLN 47 1HG GLN 47 -4.691 -2.513 -1.990 200 2HG GLN 47 2HG GLN 47 -5.808 -1.276 -2.552 201 1HE2 GLN 47 1HE2 GLN 47 -2.980 -1.406 -1.030 202 2HE2 GLN 47 2HE2 GLN 47 -3.217 -0.159 0.181 203 H ALA 48 H ALA 48 -6.790 -5.830 0.940 204 HA ALA 48 HA ALA 48 -9.545 -5.697 1.651 205 1HB ALA 48 2HB ALA 48 -9.070 -7.830 2.794 206 2HB ALA 48 3HB ALA 48 -8.311 -7.781 1.192 207 3HB ALA 48 1HB ALA 48 -7.324 -7.533 2.653 208 H GLY 49 H GLY 49 -6.743 -4.515 3.411 209 1HA GLY 49 2HA GLY 49 -7.063 -4.597 6.040 210 2HA GLY 49 1HA GLY 49 -8.467 -3.601 5.668 No H/Q in entry = 210 Start of MODEL 14 1 H1 ARG 23 1H ARG 23 -2.766 -0.695 -0.500 2 H2 ARG 23 3H ARG 23 -3.207 -2.264 -0.593 3 H3 ARG 23 2H ARG 23 -3.995 -1.135 -1.473 4 HA ARG 23 HA ARG 23 -5.402 -1.702 0.374 5 1HB ARG 23 1HB ARG 23 -3.343 -2.429 1.726 6 2HB ARG 23 2HB ARG 23 -3.162 -0.735 2.191 7 1HG ARG 23 1HG ARG 23 -5.410 -0.786 3.253 8 2HG ARG 23 2HG ARG 23 -5.625 -2.465 2.736 9 1HD ARG 23 1HD ARG 23 -3.525 -1.408 4.671 10 2HD ARG 23 2HD ARG 23 -4.963 -2.354 5.087 11 HE ARG 23 HE ARG 23 -3.183 -3.673 3.163 12 1HH1 ARG 23 1HH2 ARG 23 -3.717 -3.425 6.679 13 2HH1 ARG 23 2HH2 ARG 23 -2.967 -5.027 6.851 14 1HH2 ARG 23 1HH1 ARG 23 -2.293 -5.536 3.617 15 2HH2 ARG 23 2HH1 ARG 23 -2.172 -6.060 5.311 16 H ALA 24 H ALA 24 -6.784 -0.047 1.296 17 HA ALA 24 HA ALA 24 -6.604 2.615 0.326 18 1HB ALA 24 2HB ALA 24 -8.065 1.486 2.746 19 2HB ALA 24 1HB ALA 24 -8.679 1.581 1.081 20 3HB ALA 24 3HB ALA 24 -8.364 3.067 1.993 21 HA PRO 25 HA PRO 25 -3.078 3.671 2.986 22 1HB PRO 25 1HB PRO 25 -3.603 6.457 1.958 23 2HB PRO 25 2HB PRO 25 -2.055 5.563 2.069 24 1HG PRO 25 1HG PRO 25 -3.319 5.812 -0.314 25 2HG PRO 25 2HG PRO 25 -2.599 4.237 0.159 26 1HD PRO 25 1HD PRO 25 -5.495 5.106 0.353 27 2HD PRO 25 2HD PRO 25 -4.811 3.588 -0.290 28 H ARG 26 H ARG 26 -6.042 5.605 2.957 29 HA ARG 26 HA ARG 26 -5.642 7.144 5.275 30 1HB ARG 26 1HB ARG 26 -7.880 7.843 5.020 31 2HB ARG 26 2HB ARG 26 -7.256 7.571 3.415 32 1HG ARG 26 1HG ARG 26 -8.897 6.115 2.930 33 2HG ARG 26 2HG ARG 26 -8.507 5.093 4.303 34 1HD ARG 26 1HD ARG 26 -10.323 7.538 4.328 35 2HD ARG 26 2HD ARG 26 -10.830 5.839 4.406 36 HE ARG 26 HE ARG 26 -9.000 6.409 6.551 37 1HH1 ARG 26 1HH2 ARG 26 -12.329 7.126 5.728 38 2HH1 ARG 26 2HH2 ARG 26 -12.769 7.377 7.397 39 1HH2 ARG 26 2HH1 ARG 26 -9.604 6.719 8.606 40 2HH2 ARG 26 1HH1 ARG 26 -11.248 7.142 8.997 41 H ARG 27 H ARG 27 -6.013 3.852 5.434 42 HA ARG 27 HA ARG 27 -6.823 4.037 8.315 43 1HB ARG 27 1HB ARG 27 -8.119 2.040 8.195 44 2HB ARG 27 2HB ARG 27 -8.665 3.148 6.962 45 1HG ARG 27 1HG ARG 27 -8.714 1.208 5.767 46 2HG ARG 27 2HG ARG 27 -7.113 1.776 5.346 47 1HD ARG 27 1HD ARG 27 -6.964 -0.557 5.740 48 2HD ARG 27 2HD ARG 27 -6.166 0.186 7.103 49 HE ARG 27 HE ARG 27 -8.845 -1.136 7.054 50 1HH1 ARG 27 1HH2 ARG 27 -6.389 0.283 9.156 51 2HH1 ARG 27 2HH2 ARG 27 -7.012 -0.564 10.545 52 1HH2 ARG 27 2HH1 ARG 27 -9.583 -2.100 8.885 53 2HH2 ARG 27 1HH1 ARG 27 -8.776 -1.832 10.400 54 H GLN 28 H GLN 28 -4.188 3.592 6.548 55 HA GLN 28 HA GLN 28 -2.980 1.732 8.535 56 1HB GLN 28 1HB GLN 28 -3.933 0.636 6.259 57 2HB GLN 28 2HB GLN 28 -2.431 1.256 5.602 58 1HG GLN 28 1HG GLN 28 -1.913 -0.947 6.242 59 2HG GLN 28 2HG GLN 28 -1.264 -0.004 7.576 60 1HE2 GLN 28 1HE2 GLN 28 -2.079 -0.495 9.693 61 2HE2 GLN 28 2HE2 GLN 28 -3.412 -1.612 9.930 62 H GLY 29 H GLY 29 -2.558 4.457 6.395 63 1HA GLY 29 2HA GLY 29 0.079 5.196 7.145 64 2HA GLY 29 1HA GLY 29 -0.766 5.659 5.659 65 H CYS 30 H CYS 30 -1.080 2.947 4.700 66 HA CYS 30 HA CYS 30 -0.235 1.014 4.071 67 1HB CYS 30 1HB CYS 30 1.457 3.095 2.719 68 2HB CYS 30 2HB CYS 30 1.796 1.387 2.423 69 H TRP 31 H TRP 31 1.160 1.945 6.738 70 HA TRP 31 HA TRP 31 3.795 0.912 6.646 71 1HB TRP 31 1HB TRP 31 2.085 2.111 8.582 72 2HB TRP 31 2HB TRP 31 2.659 0.622 9.302 73 HD1 TRP 31 HD1 TRP 31 5.536 0.346 8.781 74 HE1 TRP 31 HE1 TRP 31 7.337 2.097 9.318 75 HE3 TRP 31 HE3 TRP 31 2.559 4.512 9.070 76 HZ2 TRP 31 HZ2 TRP 31 7.480 4.945 9.743 77 HZ3 TRP 31 HZ3 TRP 31 3.565 6.739 9.549 78 HH2 TRP 31 HH2 TRP 31 6.017 6.967 9.873 79 H LYS 32 H LYS 32 0.814 -0.817 7.161 80 HA LYS 32 HA LYS 32 2.247 -3.428 7.468 81 1HB LYS 32 1HB LYS 32 0.543 -2.843 9.158 82 2HB LYS 32 2HB LYS 32 -0.638 -2.595 7.885 83 1HG LYS 32 1HG LYS 32 -1.239 -4.594 8.799 84 2HG LYS 32 2HG LYS 32 -0.447 -5.059 7.316 85 1HD LYS 32 1HD LYS 32 0.807 -5.141 10.100 86 2HD LYS 32 2HD LYS 32 -0.004 -6.495 9.336 87 1HE LYS 32 1HE LYS 32 2.604 -5.222 8.428 88 2HE LYS 32 2HE LYS 32 2.381 -6.779 9.220 89 1HZ LYS 32 2HZ LYS 32 0.942 -7.368 7.193 90 2HZ LYS 32 3HZ LYS 32 1.558 -6.044 6.483 91 3HZ LYS 32 1HZ LYS 32 2.564 -7.255 6.933 92 H CYS 33 H CYS 33 0.375 -1.593 5.176 93 HA CYS 33 HA CYS 33 -0.317 -3.621 3.278 94 1HB CYS 33 1HB CYS 33 -1.166 -1.281 3.343 95 2HB CYS 33 2HB CYS 33 0.463 -0.697 2.940 96 H GLY 34 H GLY 34 2.555 -1.478 3.545 97 1HA GLY 34 2HA GLY 34 4.157 -3.232 1.753 98 2HA GLY 34 1HA GLY 34 4.594 -3.199 3.460 99 H LYS 35 H LYS 35 3.906 -0.147 3.490 100 HA LYS 35 HA LYS 35 5.327 1.317 1.611 101 1HB LYS 35 1HB LYS 35 3.783 2.164 3.368 102 2HB LYS 35 2HB LYS 35 5.062 1.959 4.569 103 1HG LYS 35 1HG LYS 35 6.437 3.657 3.382 104 2HG LYS 35 2HG LYS 35 5.234 3.734 2.084 105 1HD LYS 35 1HD LYS 35 4.945 5.648 3.512 106 2HD LYS 35 2HD LYS 35 3.559 4.573 3.727 107 1HE LYS 35 1HE LYS 35 4.732 3.630 5.790 108 2HE LYS 35 2HE LYS 35 5.977 4.870 5.580 109 1HZ LYS 35 2HZ LYS 35 4.181 6.542 5.808 110 2HZ LYS 35 3HZ LYS 35 3.087 5.332 6.036 111 3HZ LYS 35 1HZ LYS 35 4.274 5.590 7.140 112 H THR 36 H THR 36 6.801 -0.576 4.103 113 HA THR 36 HA THR 36 9.432 0.517 4.202 114 HB THR 36 HB THR 36 10.069 -1.807 4.891 115 HG1 THR 36 HG1 THR 36 8.402 -3.307 5.081 116 1HG2 THR 36 1HG2 THR 36 9.168 -0.161 6.548 117 2HG2 THR 36 2HG2 THR 36 7.531 -0.791 6.259 118 3HG2 THR 36 3HG2 THR 36 8.782 -1.840 6.958 119 H GLY 37 H GLY 37 7.874 -1.185 1.565 120 1HA GLY 37 2HA GLY 37 10.028 -2.322 0.192 121 2HA GLY 37 1HA GLY 37 10.148 -0.596 -0.138 122 H HIS 38 H HIS 38 6.818 -1.536 0.078 123 HA HIS 38 HA HIS 38 6.486 -2.535 -2.591 124 1HB HIS 38 1HB HIS 38 4.216 -2.585 -2.167 125 2HB HIS 38 2HB HIS 38 4.944 -2.899 -0.612 126 HD1 HIS 38 HD1 HIS 38 5.012 0.787 -0.990 127 HD2 HIS 38 HD2 HIS 38 2.135 -2.182 -0.218 128 HE1 HIS 38 HE1 HIS 38 3.001 1.981 0.028 129 H VAL 39 H VAL 39 4.863 -1.443 -4.121 130 HA VAL 39 HA VAL 39 5.204 1.472 -4.409 131 HB VAL 39 HB VAL 39 7.110 -0.035 -5.522 132 1HG1 VAL 39 1HG1 VAL 39 5.480 -1.377 -6.905 133 2HG1 VAL 39 2HG1 VAL 39 5.209 0.106 -7.871 134 3HG1 VAL 39 3HG1 VAL 39 6.816 -0.615 -7.781 135 1HG2 VAL 39 1HG2 VAL 39 5.886 2.407 -6.818 136 2HG2 VAL 39 2HG2 VAL 39 7.129 2.347 -5.557 137 3HG2 VAL 39 3HG2 VAL 39 7.489 1.731 -7.177 138 H MET 40 H MET 40 3.905 2.158 -6.556 139 HA MET 40 HA MET 40 1.209 1.521 -6.099 140 1HB MET 40 1HB MET 40 0.669 2.860 -7.966 141 2HB MET 40 2HB MET 40 2.054 3.601 -7.176 142 1HG MET 40 1HG MET 40 2.177 1.879 -9.695 143 2HG MET 40 2HG MET 40 2.122 3.633 -9.671 144 1HE MET 40 1HE MET 40 4.213 3.498 -11.356 145 2HE MET 40 2HE MET 40 5.764 2.743 -10.927 146 3HE MET 40 3HE MET 40 4.327 1.729 -11.180 147 H ALA 41 H ALA 41 3.419 -0.346 -7.952 148 HA ALA 41 HA ALA 41 1.300 -1.910 -9.310 149 1HB ALA 41 1HB ALA 41 3.283 -1.125 -10.579 150 2HB ALA 41 2HB ALA 41 4.343 -2.046 -9.485 151 3HB ALA 41 3HB ALA 41 3.183 -2.893 -10.530 152 H LYS 42 H LYS 42 2.172 -1.952 -6.246 153 HA LYS 42 HA LYS 42 1.737 -4.872 -5.972 154 1HB LYS 42 1HB LYS 42 4.235 -4.420 -5.973 155 2HB LYS 42 2HB LYS 42 4.010 -3.397 -4.566 156 1HG LYS 42 1HG LYS 42 4.855 -5.613 -3.968 157 2HG LYS 42 2HG LYS 42 3.303 -5.293 -3.216 158 1HD LYS 42 1HD LYS 42 3.485 -7.592 -3.968 159 2HD LYS 42 2HD LYS 42 2.166 -6.798 -4.799 160 1HE LYS 42 1HE LYS 42 4.915 -6.941 -6.099 161 2HE LYS 42 2HE LYS 42 3.902 -8.383 -6.038 162 1HZ LYS 42 2HZ LYS 42 2.123 -7.099 -7.152 163 2HZ LYS 42 3HZ LYS 42 3.131 -5.841 -7.378 164 3HZ LYS 42 1HZ LYS 42 3.458 -7.275 -8.082 165 H CYS 43 H CYS 43 1.647 -1.688 -4.438 166 HA CYS 43 HA CYS 43 0.347 -2.330 -2.045 167 1HB CYS 43 1HB CYS 43 1.248 -0.135 -2.697 168 2HB CYS 43 2HB CYS 43 -0.040 0.068 -3.885 169 HA PRO 44 HA PRO 44 -3.936 -2.140 -4.447 170 1HB PRO 44 1HB PRO 44 -3.070 -3.691 -6.889 171 2HB PRO 44 2HB PRO 44 -4.399 -2.504 -6.717 172 1HG PRO 44 1HG PRO 44 -2.051 -1.745 -7.816 173 2HG PRO 44 2HG PRO 44 -2.851 -0.680 -6.612 174 1HD PRO 44 1HD PRO 44 -0.566 -2.608 -6.197 175 2HD PRO 44 2HD PRO 44 -0.749 -0.934 -5.600 176 H GLU 45 H GLU 45 -1.816 -5.029 -4.880 177 HA GLU 45 HA GLU 45 -3.927 -6.924 -4.298 178 1HB GLU 45 1HB GLU 45 -0.911 -7.331 -4.112 179 2HB GLU 45 2HB GLU 45 -2.155 -8.571 -4.215 180 1HG GLU 45 1HG GLU 45 -1.624 -8.586 -6.395 181 2HG GLU 45 2HG GLU 45 -2.766 -7.253 -6.494 182 H ARG 46 H ARG 46 -1.871 -5.063 -2.210 183 HA ARG 46 HA ARG 46 -1.757 -6.973 -0.006 184 1HB ARG 46 1HB ARG 46 -0.722 -4.166 -0.529 185 2HB ARG 46 2HB ARG 46 -0.509 -4.913 1.037 186 1HG ARG 46 1HG ARG 46 0.496 -6.096 -1.591 187 2HG ARG 46 2HG ARG 46 1.463 -5.151 -0.462 188 1HD ARG 46 1HD ARG 46 0.228 -7.889 0.018 189 2HD ARG 46 2HD ARG 46 1.937 -7.495 -0.129 190 HE ARG 46 HE ARG 46 1.592 -6.026 1.937 191 1HH1 ARG 46 2HH2 ARG 46 -0.360 -8.934 1.594 192 2HH1 ARG 46 1HH2 ARG 46 -1.054 -8.704 3.183 193 1HH2 ARG 46 1HH1 ARG 46 0.897 -6.029 4.022 194 2HH2 ARG 46 2HH1 ARG 46 -0.049 -7.380 4.622 195 H GLN 47 H GLN 47 -4.448 -6.216 -0.594 196 HA GLN 47 HA GLN 47 -5.514 -4.236 1.159 197 1HB GLN 47 1HB GLN 47 -6.861 -6.715 0.022 198 2HB GLN 47 2HB GLN 47 -7.693 -5.319 0.697 199 1HG GLN 47 1HG GLN 47 -5.962 -5.324 -1.806 200 2HG GLN 47 2HG GLN 47 -7.713 -5.309 -1.764 201 1HE2 GLN 47 2HE2 GLN 47 -5.954 -3.361 -3.034 202 2HE2 GLN 47 1HE2 GLN 47 -6.514 -1.826 -2.360 203 H ALA 48 H ALA 48 -4.483 -7.468 1.985 204 HA ALA 48 HA ALA 48 -5.649 -7.204 4.716 205 1HB ALA 48 2HB ALA 48 -6.411 -9.546 4.588 206 2HB ALA 48 3HB ALA 48 -7.182 -8.567 3.328 207 3HB ALA 48 1HB ALA 48 -5.839 -9.656 2.909 208 H GLY 49 H GLY 49 -4.737 -8.849 6.230 209 1HA GLY 49 2HA GLY 49 -2.069 -9.920 5.992 210 2HA GLY 49 1HA GLY 49 -2.886 -9.453 7.491 No H/Q in entry = 210 Start of MODEL 15 1 H1 ARG 23 2H ARG 23 -6.662 -0.304 -0.686 2 H2 ARG 23 1H ARG 23 -7.896 -1.258 -1.144 3 H3 ARG 23 3H ARG 23 -6.619 -1.029 -2.151 4 HA ARG 23 HA ARG 23 -7.886 0.498 -3.154 5 1HB ARG 23 1HB ARG 23 -9.486 0.637 -0.574 6 2HB ARG 23 2HB ARG 23 -9.802 1.653 -1.992 7 1HG ARG 23 1HG ARG 23 -10.135 -0.318 -3.406 8 2HG ARG 23 2HG ARG 23 -9.820 -1.403 -2.046 9 1HD ARG 23 1HD ARG 23 -12.081 0.637 -2.102 10 2HD ARG 23 2HD ARG 23 -12.240 -1.053 -2.612 11 HE ARG 23 HE ARG 23 -11.121 -0.989 0.031 12 1HH1 ARG 23 1HH1 ARG 23 -14.240 -0.495 -1.507 13 2HH1 ARG 23 2HH1 ARG 23 -15.092 -0.998 -0.070 14 1HH2 ARG 23 2HH2 ARG 23 -12.173 -1.574 1.699 15 2HH2 ARG 23 1HH2 ARG 23 -13.938 -1.604 1.762 16 H ALA 24 H ALA 24 -8.390 2.641 -0.446 17 HA ALA 24 HA ALA 24 -6.363 4.439 -1.544 18 1HB ALA 24 2HB ALA 24 -8.375 4.770 0.721 19 2HB ALA 24 1HB ALA 24 -8.622 5.220 -0.982 20 3HB ALA 24 3HB ALA 24 -7.402 6.063 -0.010 21 HA PRO 25 HA PRO 25 -3.369 3.216 1.558 22 1HB PRO 25 1HB PRO 25 -1.327 4.943 1.051 23 2HB PRO 25 2HB PRO 25 -1.851 3.700 -0.125 24 1HG PRO 25 1HG PRO 25 -2.642 6.627 -0.077 25 2HG PRO 25 2HG PRO 25 -2.006 5.670 -1.454 26 1HD PRO 25 1HD PRO 25 -4.683 6.060 -1.085 27 2HD PRO 25 2HD PRO 25 -4.036 4.518 -1.723 28 H ARG 26 H ARG 26 -4.425 6.610 1.568 29 HA ARG 26 HA ARG 26 -2.844 7.645 3.591 30 1HB ARG 26 1HB ARG 26 -4.222 8.943 2.020 31 2HB ARG 26 2HB ARG 26 -5.689 8.415 2.833 32 1HG ARG 26 1HG ARG 26 -5.174 10.689 3.410 33 2HG ARG 26 2HG ARG 26 -5.066 9.701 4.854 34 1HD ARG 26 1HD ARG 26 -2.618 10.474 3.207 35 2HD ARG 26 2HD ARG 26 -3.294 11.527 4.460 36 HE ARG 26 HE ARG 26 -2.932 8.991 5.647 37 1HH1 ARG 26 1HH1 ARG 26 -0.866 11.553 4.441 38 2HH1 ARG 26 2HH1 ARG 26 0.437 11.120 5.516 39 1HH2 ARG 26 1HH2 ARG 26 -1.269 8.499 6.968 40 2HH2 ARG 26 2HH2 ARG 26 0.207 9.424 6.921 41 H ARG 27 H ARG 27 -5.937 6.029 4.092 42 HA ARG 27 HA ARG 27 -6.294 6.445 6.886 43 1HB ARG 27 1HB ARG 27 -7.870 4.581 6.750 44 2HB ARG 27 2HB ARG 27 -8.018 5.608 5.319 45 1HG ARG 27 1HG ARG 27 -6.440 3.986 4.128 46 2HG ARG 27 2HG ARG 27 -6.597 2.909 5.515 47 1HD ARG 27 1HD ARG 27 -8.900 2.514 5.079 48 2HD ARG 27 2HD ARG 27 -9.003 3.884 3.944 49 HE ARG 27 HE ARG 27 -7.112 2.541 2.704 50 1HH1 ARG 27 2HH1 ARG 27 -10.119 1.135 3.868 51 2HH1 ARG 27 1HH1 ARG 27 -9.986 -0.181 2.705 52 1HH2 ARG 27 2HH2 ARG 27 -6.936 0.805 1.486 53 2HH2 ARG 27 1HH2 ARG 27 -8.221 -0.397 1.459 54 H GLN 28 H GLN 28 -3.948 4.433 5.372 55 HA GLN 28 HA GLN 28 -3.403 2.930 7.909 56 1HB GLN 28 1HB GLN 28 -4.470 1.751 5.891 57 2HB GLN 28 2HB GLN 28 -2.946 2.005 5.042 58 1HG GLN 28 1HG GLN 28 -1.788 0.643 6.804 59 2HG GLN 28 2HG GLN 28 -3.340 0.414 7.620 60 1HE2 GLN 28 2HE2 GLN 28 -5.111 -0.700 6.198 61 2HE2 GLN 28 1HE2 GLN 28 -4.530 -1.922 5.075 62 H GLY 29 H GLY 29 -2.089 5.161 5.650 63 1HA GLY 29 2HA GLY 29 0.581 5.318 6.651 64 2HA GLY 29 1HA GLY 29 0.001 5.899 5.082 65 H CYS 30 H CYS 30 -0.908 3.111 4.404 66 HA CYS 30 HA CYS 30 -0.334 0.993 3.995 67 1HB CYS 30 1HB CYS 30 1.459 2.778 2.376 68 2HB CYS 30 2HB CYS 30 1.670 1.029 2.245 69 H TRP 31 H TRP 31 1.060 1.853 6.580 70 HA TRP 31 HA TRP 31 3.641 0.610 6.483 71 1HB TRP 31 1HB TRP 31 2.773 2.309 8.168 72 2HB TRP 31 2HB TRP 31 1.995 0.961 8.997 73 HD1 TRP 31 HD1 TRP 31 3.468 -0.007 10.860 74 HE1 TRP 31 HE1 TRP 31 5.976 -0.192 11.383 75 HE3 TRP 31 HE3 TRP 31 5.347 2.281 6.674 76 HZ2 TRP 31 HZ2 TRP 31 8.479 0.479 10.104 77 HZ3 TRP 31 HZ3 TRP 31 7.805 2.458 6.336 78 HH2 TRP 31 HH2 TRP 31 9.374 1.558 8.035 79 H LYS 32 H LYS 32 0.473 -0.756 7.273 80 HA LYS 32 HA LYS 32 1.507 -3.477 7.749 81 1HB LYS 32 1HB LYS 32 -0.556 -2.606 8.810 82 2HB LYS 32 2HB LYS 32 -1.316 -2.433 7.242 83 1HG LYS 32 1HG LYS 32 -0.347 -5.190 7.595 84 2HG LYS 32 2HG LYS 32 -1.268 -4.686 8.989 85 1HD LYS 32 1HD LYS 32 -2.773 -5.756 7.449 86 2HD LYS 32 2HD LYS 32 -3.179 -4.052 7.579 87 1HE LYS 32 1HE LYS 32 -3.415 -4.671 5.294 88 2HE LYS 32 2HE LYS 32 -2.006 -3.621 5.400 89 1HZ LYS 32 3HZ LYS 32 -1.885 -6.596 5.276 90 2HZ LYS 32 1HZ LYS 32 -1.643 -5.598 4.001 91 3HZ LYS 32 2HZ LYS 32 -0.588 -5.586 5.254 92 H CYS 33 H CYS 33 0.269 -1.652 4.991 93 HA CYS 33 HA CYS 33 -0.109 -3.766 3.136 94 1HB CYS 33 1HB CYS 33 -1.026 -1.492 2.961 95 2HB CYS 33 2HB CYS 33 0.601 -0.831 2.825 96 H GLY 34 H GLY 34 2.698 -1.608 3.618 97 1HA GLY 34 2HA GLY 34 4.441 -3.302 1.894 98 2HA GLY 34 1HA GLY 34 4.831 -3.205 3.609 99 H LYS 35 H LYS 35 3.914 -0.191 3.472 100 HA LYS 35 HA LYS 35 5.361 1.248 1.592 101 1HB LYS 35 1HB LYS 35 3.586 2.075 3.055 102 2HB LYS 35 2HB LYS 35 4.661 2.090 4.440 103 1HG LYS 35 1HG LYS 35 5.391 3.617 1.931 104 2HG LYS 35 2HG LYS 35 4.128 4.261 2.963 105 1HD LYS 35 1HD LYS 35 5.515 4.656 4.779 106 2HD LYS 35 2HD LYS 35 6.748 3.517 4.278 107 1HE LYS 35 1HE LYS 35 6.155 6.176 2.909 108 2HE LYS 35 2HE LYS 35 7.473 5.859 4.041 109 1HZ LYS 35 2HZ LYS 35 8.221 4.093 2.416 110 2HZ LYS 35 3HZ LYS 35 7.159 4.685 1.340 111 3HZ LYS 35 1HZ LYS 35 8.375 5.635 1.869 112 H THR 36 H THR 36 6.802 -0.341 4.285 113 HA THR 36 HA THR 36 9.329 0.955 4.408 114 HB THR 36 HB THR 36 8.473 -0.746 5.980 115 HG1 THR 36 HG1 THR 36 10.998 -1.284 4.818 116 1HG2 THR 36 1HG2 THR 36 7.623 -2.455 4.408 117 2HG2 THR 36 2HG2 THR 36 9.285 -2.810 3.888 118 3HG2 THR 36 3HG2 THR 36 8.783 -3.124 5.562 119 H GLY 37 H GLY 37 8.025 -0.928 1.748 120 1HA GLY 37 2HA GLY 37 10.353 -1.850 0.479 121 2HA GLY 37 1HA GLY 37 10.260 -0.135 0.094 122 H HIS 38 H HIS 38 7.042 -1.265 0.210 123 HA HIS 38 HA HIS 38 6.900 -2.632 -2.295 124 1HB HIS 38 1HB HIS 38 4.591 -2.697 -1.966 125 2HB HIS 38 2HB HIS 38 5.300 -2.820 -0.376 126 HD1 HIS 38 HD1 HIS 38 5.263 0.815 -1.187 127 HD2 HIS 38 HD2 HIS 38 2.506 -2.152 -0.076 128 HE1 HIS 38 HE1 HIS 38 3.200 2.044 -0.327 129 H VAL 39 H VAL 39 5.137 -1.873 -3.940 130 HA VAL 39 HA VAL 39 5.698 0.896 -4.925 131 HB VAL 39 HB VAL 39 5.759 -1.654 -6.598 132 1HG1 VAL 39 1HG1 VAL 39 6.424 1.231 -7.335 133 2HG1 VAL 39 2HG1 VAL 39 6.694 -0.183 -8.372 134 3HG1 VAL 39 3HG1 VAL 39 5.054 0.275 -7.953 135 1HG2 VAL 39 1HG2 VAL 39 8.063 0.125 -5.683 136 2HG2 VAL 39 2HG2 VAL 39 7.796 -1.576 -5.234 137 3HG2 VAL 39 3HG2 VAL 39 8.189 -1.165 -6.899 138 H MET 40 H MET 40 4.022 1.813 -6.193 139 HA MET 40 HA MET 40 1.369 1.197 -5.486 140 1HB MET 40 1HB MET 40 0.688 2.866 -7.065 141 2HB MET 40 2HB MET 40 2.093 3.423 -6.169 142 1HG MET 40 1HG MET 40 2.234 2.244 -8.977 143 2HG MET 40 2HG MET 40 2.038 3.957 -8.639 144 1HE MET 40 1HE MET 40 4.101 4.277 -10.334 145 2HE MET 40 2HE MET 40 5.708 3.570 -10.057 146 3HE MET 40 3HE MET 40 4.333 2.517 -10.456 147 H ALA 41 H ALA 41 3.229 -0.309 -7.986 148 HA ALA 41 HA ALA 41 1.085 -1.379 -9.578 149 1HB ALA 41 2HB ALA 41 3.440 -1.211 -10.319 150 2HB ALA 41 3HB ALA 41 3.924 -2.381 -9.067 151 3HB ALA 41 1HB ALA 41 2.860 -2.884 -10.398 152 H LYS 42 H LYS 42 2.045 -2.123 -6.361 153 HA LYS 42 HA LYS 42 0.573 -4.737 -6.382 154 1HB LYS 42 1HB LYS 42 3.100 -4.931 -6.389 155 2HB LYS 42 2HB LYS 42 3.133 -4.027 -4.877 156 1HG LYS 42 1HG LYS 42 3.368 -6.328 -4.327 157 2HG LYS 42 2HG LYS 42 1.769 -5.846 -3.811 158 1HD LYS 42 1HD LYS 42 1.373 -6.831 -6.458 159 2HD LYS 42 2HD LYS 42 2.628 -7.858 -5.786 160 1HE LYS 42 1HE LYS 42 0.629 -8.965 -5.221 161 2HE LYS 42 2HE LYS 42 1.126 -8.164 -3.729 162 1HZ LYS 42 2HZ LYS 42 -0.463 -6.322 -4.397 163 2HZ LYS 42 3HZ LYS 42 -0.998 -7.288 -5.612 164 3HZ LYS 42 1HZ LYS 42 -1.191 -7.745 -4.048 165 H CYS 43 H CYS 43 1.369 -1.846 -4.552 166 HA CYS 43 HA CYS 43 0.338 -2.258 -2.073 167 1HB CYS 43 1HB CYS 43 1.535 -0.300 -2.657 168 2HB CYS 43 2HB CYS 43 0.370 0.155 -3.895 169 HA PRO 44 HA PRO 44 -4.090 -0.650 -3.374 170 1HB PRO 44 1HB PRO 44 -4.376 -2.264 -5.920 171 2HB PRO 44 2HB PRO 44 -5.203 -0.741 -5.455 172 1HG PRO 44 1HG PRO 44 -3.058 -0.649 -7.092 173 2HG PRO 44 2HG PRO 44 -3.187 0.522 -5.739 174 1HD PRO 44 1HD PRO 44 -1.547 -2.007 -5.893 175 2HD PRO 44 2HD PRO 44 -1.107 -0.404 -5.239 176 H GLU 45 H GLU 45 -3.090 -3.984 -4.006 177 HA GLU 45 HA GLU 45 -5.517 -5.107 -2.692 178 1HB GLU 45 1HB GLU 45 -4.859 -6.082 -4.763 179 2HB GLU 45 2HB GLU 45 -3.199 -6.293 -4.254 180 1HG GLU 45 1HG GLU 45 -5.545 -7.705 -2.908 181 2HG GLU 45 2HG GLU 45 -4.736 -8.350 -4.334 182 H ARG 46 H ARG 46 -2.001 -4.757 -2.101 183 HA ARG 46 HA ARG 46 -1.864 -6.530 0.164 184 1HB ARG 46 1HB ARG 46 -0.121 -4.238 -0.794 185 2HB ARG 46 2HB ARG 46 0.275 -5.183 0.637 186 1HG ARG 46 1HG ARG 46 -0.027 -6.360 -2.150 187 2HG ARG 46 2HG ARG 46 1.487 -5.829 -1.425 188 1HD ARG 46 1HD ARG 46 1.529 -8.119 -1.075 189 2HD ARG 46 2HD ARG 46 1.019 -7.460 0.485 190 HE ARG 46 HE ARG 46 -1.172 -8.271 -1.344 191 1HH1 ARG 46 2HH1 ARG 46 0.959 -9.491 1.172 192 2HH1 ARG 46 1HH1 ARG 46 -0.151 -10.762 1.605 193 1HH2 ARG 46 1HH2 ARG 46 -2.552 -9.830 -0.695 194 2HH2 ARG 46 2HH2 ARG 46 -2.084 -10.967 0.553 195 H GLN 47 H GLN 47 -2.970 -3.242 0.006 196 HA GLN 47 HA GLN 47 -2.967 -2.543 2.747 197 1HB GLN 47 1HB GLN 47 -4.997 -2.038 0.547 198 2HB GLN 47 2HB GLN 47 -5.084 -1.276 2.138 199 1HG GLN 47 1HG GLN 47 -3.007 -0.086 1.799 200 2HG GLN 47 2HG GLN 47 -2.679 -0.975 0.307 201 1HE2 GLN 47 2HE2 GLN 47 -2.648 0.935 -1.055 202 2HE2 GLN 47 1HE2 GLN 47 -4.188 1.707 -1.445 203 H ALA 48 H ALA 48 -4.761 -5.111 1.244 204 HA ALA 48 HA ALA 48 -6.243 -6.607 1.904 205 1HB ALA 48 1HB ALA 48 -5.466 -5.895 4.752 206 2HB ALA 48 2HB ALA 48 -6.176 -7.415 4.179 207 3HB ALA 48 3HB ALA 48 -4.544 -6.961 3.663 208 H GLY 49 H GLY 49 -7.237 -3.796 1.558 209 1HA GLY 49 2HA GLY 49 -9.596 -3.431 3.191 210 2HA GLY 49 1HA GLY 49 -9.965 -4.315 1.707 No H/Q in entry = 210 Start of MODEL 16 1 H1 ARG 23 3H ARG 23 -7.881 0.269 1.435 2 H2 ARG 23 2H ARG 23 -9.497 0.542 1.625 3 H3 ARG 23 1H ARG 23 -8.961 -0.857 0.949 4 HA ARG 23 HA ARG 23 -8.085 0.276 -0.935 5 1HB ARG 23 1HB ARG 23 -10.538 -0.545 -0.721 6 2HB ARG 23 2HB ARG 23 -10.974 1.145 -0.612 7 1HG ARG 23 1HG ARG 23 -11.198 0.141 -2.888 8 2HG ARG 23 2HG ARG 23 -10.175 1.566 -2.872 9 1HD ARG 23 1HD ARG 23 -9.311 -0.245 -4.325 10 2HD ARG 23 2HD ARG 23 -8.165 0.229 -3.073 11 HE ARG 23 HE ARG 23 -8.955 -1.784 -1.752 12 1HH1 ARG 23 1HH1 ARG 23 -9.094 -2.023 -5.245 13 2HH1 ARG 23 2HH1 ARG 23 -9.417 -3.737 -5.163 14 1HH2 ARG 23 2HH2 ARG 23 -9.269 -3.774 -1.699 15 2HH2 ARG 23 1HH2 ARG 23 -9.480 -4.753 -3.151 16 H ALA 24 H ALA 24 -7.171 2.046 1.215 17 HA ALA 24 HA ALA 24 -7.197 4.613 -0.145 18 1HB ALA 24 1HB ALA 24 -8.674 4.339 2.512 19 2HB ALA 24 3HB ALA 24 -9.377 4.806 0.949 20 3HB ALA 24 2HB ALA 24 -8.210 5.872 1.746 21 HA PRO 25 HA PRO 25 -3.210 3.508 1.965 22 1HB PRO 25 1HB PRO 25 -2.577 5.971 0.312 23 2HB PRO 25 2HB PRO 25 -1.531 4.562 0.657 24 1HG PRO 25 1HG PRO 25 -2.860 4.686 -1.685 25 2HG PRO 25 2HG PRO 25 -2.856 3.147 -0.765 26 1HD PRO 25 1HD PRO 25 -5.029 5.237 -0.943 27 2HD PRO 25 2HD PRO 25 -5.172 3.454 -0.940 28 H ARG 26 H ARG 26 -4.656 6.757 1.787 29 HA ARG 26 HA ARG 26 -3.361 8.104 3.865 30 1HB ARG 26 1HB ARG 26 -4.862 9.188 2.301 31 2HB ARG 26 2HB ARG 26 -6.229 8.222 2.850 32 1HG ARG 26 1HG ARG 26 -6.391 10.507 3.670 33 2HG ARG 26 2HG ARG 26 -6.259 9.370 5.002 34 1HD ARG 26 1HD ARG 26 -3.749 9.957 5.099 35 2HD ARG 26 2HD ARG 26 -4.085 11.202 3.903 36 HE ARG 26 HE ARG 26 -5.149 12.494 5.522 37 1HH1 ARG 26 2HH2 ARG 26 -4.592 9.318 6.960 38 2HH1 ARG 26 1HH2 ARG 26 -4.987 9.901 8.555 39 1HH2 ARG 26 2HH1 ARG 26 -5.668 13.120 7.581 40 2HH2 ARG 26 1HH1 ARG 26 -5.592 11.976 8.889 41 H ARG 27 H ARG 27 -5.843 5.583 4.285 42 HA ARG 27 HA ARG 27 -6.323 6.263 7.090 43 1HB ARG 27 1HB ARG 27 -7.876 4.562 7.126 44 2HB ARG 27 2HB ARG 27 -7.909 5.045 5.433 45 1HG ARG 27 1HG ARG 27 -6.269 3.102 5.001 46 2HG ARG 27 2HG ARG 27 -6.558 2.598 6.665 47 1HD ARG 27 1HD ARG 27 -8.929 2.274 6.227 48 2HD ARG 27 2HD ARG 27 -8.737 2.895 4.568 49 HE ARG 27 HE ARG 27 -6.857 0.868 4.747 50 1HH1 ARG 27 2HH2 ARG 27 -10.376 0.809 4.954 51 2HH1 ARG 27 1HH2 ARG 27 -10.406 -0.824 4.333 52 1HH2 ARG 27 2HH1 ARG 27 -6.976 -0.969 4.002 53 2HH2 ARG 27 1HH1 ARG 27 -8.488 -1.767 3.573 54 H GLN 28 H GLN 28 -3.783 4.614 5.561 55 HA GLN 28 HA GLN 28 -3.029 3.123 8.050 56 1HB GLN 28 1HB GLN 28 -4.088 1.920 5.930 57 2HB GLN 28 2HB GLN 28 -2.488 2.154 5.234 58 1HG GLN 28 1HG GLN 28 -1.699 1.023 7.537 59 2HG GLN 28 2HG GLN 28 -3.364 0.452 7.575 60 1HE2 GLN 28 1HE2 GLN 28 -4.016 -0.543 5.127 61 2HE2 GLN 28 2HE2 GLN 28 -2.772 -1.668 4.624 62 H GLY 29 H GLY 29 -1.873 5.261 5.523 63 1HA GLY 29 2HA GLY 29 0.817 5.574 6.479 64 2HA GLY 29 1HA GLY 29 0.195 5.996 4.875 65 H CYS 30 H CYS 30 -0.690 3.276 4.276 66 HA CYS 30 HA CYS 30 -0.191 1.148 3.892 67 1HB CYS 30 1HB CYS 30 2.029 2.675 2.520 68 2HB CYS 30 2HB CYS 30 1.821 0.932 2.292 69 H TRP 31 H TRP 31 0.882 1.934 6.558 70 HA TRP 31 HA TRP 31 3.347 0.985 7.293 71 1HB TRP 31 1HB TRP 31 2.111 2.051 8.924 72 2HB TRP 31 2HB TRP 31 0.658 1.127 8.595 73 HD1 TRP 31 HD1 TRP 31 -0.064 -0.304 10.444 74 HE1 TRP 31 HE1 TRP 31 0.998 -1.655 12.346 75 HE3 TRP 31 HE3 TRP 31 4.885 0.625 9.444 76 HZ2 TRP 31 HZ2 TRP 31 3.641 -2.322 13.268 77 HZ3 TRP 31 HZ3 TRP 31 6.654 -0.420 10.841 78 HH2 TRP 31 HH2 TRP 31 6.050 -1.892 12.749 79 H LYS 32 H LYS 32 0.630 -1.159 6.547 80 HA LYS 32 HA LYS 32 2.466 -3.505 6.850 81 1HB LYS 32 1HB LYS 32 0.628 -3.064 8.691 82 2HB LYS 32 2HB LYS 32 -0.498 -3.631 7.473 83 1HG LYS 32 1HG LYS 32 0.129 -5.417 9.009 84 2HG LYS 32 2HG LYS 32 0.656 -5.805 7.379 85 1HD LYS 32 1HD LYS 32 2.296 -6.440 9.106 86 2HD LYS 32 2HD LYS 32 2.982 -5.330 7.940 87 1HE LYS 32 1HE LYS 32 1.813 -3.904 10.250 88 2HE LYS 32 2HE LYS 32 2.949 -5.138 10.774 89 1HZ LYS 32 1HZ LYS 32 4.624 -4.140 9.298 90 2HZ LYS 32 2HZ LYS 32 3.591 -2.941 8.865 91 3HZ LYS 32 3HZ LYS 32 4.103 -3.064 10.405 92 H CYS 33 H CYS 33 0.158 -1.901 4.900 93 HA CYS 33 HA CYS 33 -0.231 -3.685 2.734 94 1HB CYS 33 1HB CYS 33 -1.279 -1.483 3.091 95 2HB CYS 33 2HB CYS 33 0.297 -0.699 2.962 96 H GLY 34 H GLY 34 2.554 -1.593 3.578 97 1HA GLY 34 2HA GLY 34 4.322 -3.100 1.676 98 2HA GLY 34 1HA GLY 34 4.612 -3.137 3.407 99 H LYS 35 H LYS 35 3.935 -0.141 3.631 100 HA LYS 35 HA LYS 35 5.369 1.474 1.919 101 1HB LYS 35 1HB LYS 35 3.801 2.227 3.684 102 2HB LYS 35 2HB LYS 35 4.976 1.825 4.923 103 1HG LYS 35 1HG LYS 35 4.954 4.210 4.590 104 2HG LYS 35 2HG LYS 35 6.489 3.586 4.057 105 1HD LYS 35 1HD LYS 35 5.163 3.585 1.640 106 2HD LYS 35 2HD LYS 35 4.225 4.802 2.494 107 1HE LYS 35 1HE LYS 35 5.919 6.039 1.416 108 2HE LYS 35 2HE LYS 35 6.478 5.908 3.086 109 1HZ LYS 35 2HZ LYS 35 7.818 3.918 2.278 110 2HZ LYS 35 3HZ LYS 35 7.422 4.326 0.754 111 3HZ LYS 35 1HZ LYS 35 8.303 5.360 1.655 112 H THR 36 H THR 36 6.859 -0.577 4.263 113 HA THR 36 HA THR 36 9.436 0.616 4.537 114 HB THR 36 HB THR 36 10.158 -1.725 5.065 115 HG1 THR 36 HG1 THR 36 8.561 -3.309 5.081 116 1HG2 THR 36 3HG2 THR 36 9.133 -0.259 6.815 117 2HG2 THR 36 1HG2 THR 36 7.536 -0.937 6.423 118 3HG2 THR 36 2HG2 THR 36 8.814 -1.981 7.079 119 H GLY 37 H GLY 37 8.033 -1.015 1.754 120 1HA GLY 37 2HA GLY 37 10.378 -1.858 0.414 121 2HA GLY 37 1HA GLY 37 10.223 -0.132 0.106 122 H HIS 38 H HIS 38 7.038 -1.258 0.219 123 HA HIS 38 HA HIS 38 6.857 -2.578 -2.310 124 1HB HIS 38 1HB HIS 38 4.572 -2.652 -1.982 125 2HB HIS 38 2HB HIS 38 5.243 -2.752 -0.375 126 HD1 HIS 38 HD1 HIS 38 5.335 0.836 -0.900 127 HD2 HIS 38 HD2 HIS 38 2.290 -2.033 -0.506 128 HE1 HIS 38 HE1 HIS 38 3.225 2.110 -0.243 129 H VAL 39 H VAL 39 5.198 -1.795 -3.956 130 HA VAL 39 HA VAL 39 5.630 1.033 -4.822 131 HB VAL 39 HB VAL 39 5.769 -1.458 -6.584 132 1HG1 VAL 39 3HG1 VAL 39 6.221 1.481 -7.265 133 2HG1 VAL 39 1HG1 VAL 39 6.561 0.115 -8.345 134 3HG1 VAL 39 2HG1 VAL 39 4.905 0.443 -7.870 135 1HG2 VAL 39 1HG2 VAL 39 7.993 0.436 -5.703 136 2HG2 VAL 39 2HG2 VAL 39 7.841 -1.283 -5.275 137 3HG2 VAL 39 3HG2 VAL 39 8.155 -0.826 -6.945 138 H MET 40 H MET 40 3.837 1.873 -6.084 139 HA MET 40 HA MET 40 1.274 1.075 -5.211 140 1HB MET 40 1HB MET 40 0.363 2.679 -6.728 141 2HB MET 40 2HB MET 40 1.760 3.343 -5.905 142 1HG MET 40 1HG MET 40 1.766 2.247 -8.750 143 2HG MET 40 2HG MET 40 1.547 3.935 -8.333 144 1HE MET 40 3HE MET 40 3.383 5.572 -7.497 145 2HE MET 40 1HE MET 40 3.712 4.569 -6.064 146 3HE MET 40 2HE MET 40 5.049 5.099 -7.103 147 H ALA 41 H ALA 41 3.076 -0.221 -7.888 148 HA ALA 41 HA ALA 41 0.940 -1.526 -9.297 149 1HB ALA 41 3HB ALA 41 3.189 -1.104 -10.223 150 2HB ALA 41 1HB ALA 41 3.900 -2.217 -9.029 151 3HB ALA 41 2HB ALA 41 2.787 -2.829 -10.271 152 H LYS 42 H LYS 42 2.307 -2.195 -6.198 153 HA LYS 42 HA LYS 42 1.240 -5.002 -6.133 154 1HB LYS 42 1HB LYS 42 3.733 -4.458 -5.817 155 2HB LYS 42 2HB LYS 42 3.313 -3.758 -4.269 156 1HG LYS 42 1HG LYS 42 2.750 -6.634 -5.134 157 2HG LYS 42 2HG LYS 42 4.195 -6.124 -4.284 158 1HD LYS 42 1HD LYS 42 1.373 -6.141 -3.159 159 2HD LYS 42 2HD LYS 42 2.703 -7.225 -2.776 160 1HE LYS 42 1HE LYS 42 4.009 -5.140 -1.990 161 2HE LYS 42 2HE LYS 42 2.466 -4.276 -2.079 162 1HZ LYS 42 1HZ LYS 42 1.612 -6.132 -0.554 163 2HZ LYS 42 2HZ LYS 42 3.163 -6.558 -0.317 164 3HZ LYS 42 3HZ LYS 42 2.637 -5.075 0.144 165 H CYS 43 H CYS 43 1.592 -2.075 -4.191 166 HA CYS 43 HA CYS 43 0.507 -1.995 -1.947 167 1HB CYS 43 1HB CYS 43 0.940 -0.115 -3.457 168 2HB CYS 43 2HB CYS 43 -0.678 -0.312 -4.161 169 HA PRO 44 HA PRO 44 -3.294 -4.625 -1.805 170 1HB PRO 44 1HB PRO 44 -2.391 -3.996 1.027 171 2HB PRO 44 2HB PRO 44 -3.259 -5.449 0.438 172 1HG PRO 44 1HG PRO 44 -0.577 -5.517 0.732 173 2HG PRO 44 2HG PRO 44 -1.323 -6.213 -0.745 174 1HD PRO 44 1HD PRO 44 0.129 -3.605 -0.425 175 2HD PRO 44 2HD PRO 44 0.079 -4.712 -1.812 176 H GLU 45 H GLU 45 -2.574 -1.532 -0.057 177 HA GLU 45 HA GLU 45 -5.332 -0.891 0.442 178 1HB GLU 45 1HB GLU 45 -2.774 0.719 0.367 179 2HB GLU 45 2HB GLU 45 -4.314 1.550 0.493 180 1HG GLU 45 1HG GLU 45 -3.386 -0.607 2.408 181 2HG GLU 45 2HG GLU 45 -3.247 1.130 2.690 182 H ARG 46 H ARG 46 -3.756 -0.964 -2.574 183 HA ARG 46 HA ARG 46 -5.995 0.629 -3.786 184 1HB ARG 46 1HB ARG 46 -3.585 1.316 -4.201 185 2HB ARG 46 2HB ARG 46 -3.378 -0.198 -5.082 186 1HG ARG 46 1HG ARG 46 -5.254 0.532 -6.629 187 2HG ARG 46 2HG ARG 46 -5.358 2.042 -5.721 188 1HD ARG 46 1HD ARG 46 -4.067 2.420 -7.738 189 2HD ARG 46 2HD ARG 46 -3.011 2.567 -6.336 190 HE ARG 46 HE ARG 46 -1.764 0.766 -7.090 191 1HH1 ARG 46 1HH1 ARG 46 -4.797 0.587 -8.879 192 2HH1 ARG 46 2HH1 ARG 46 -4.219 -0.752 -9.831 193 1HH2 ARG 46 1HH2 ARG 46 -1.156 -0.862 -8.275 194 2HH2 ARG 46 2HH2 ARG 46 -2.242 -1.657 -9.404 195 H GLN 47 H GLN 47 -4.704 -2.594 -3.487 196 HA GLN 47 HA GLN 47 -6.443 -3.548 -5.742 197 1HB GLN 47 1HB GLN 47 -3.688 -4.536 -4.925 198 2HB GLN 47 2HB GLN 47 -4.665 -5.125 -6.274 199 1HG GLN 47 1HG GLN 47 -4.609 -2.752 -7.218 200 2HG GLN 47 2HG GLN 47 -3.377 -2.390 -5.998 201 1HE2 GLN 47 2HE2 GLN 47 -1.539 -4.321 -5.978 202 2HE2 GLN 47 1HE2 GLN 47 -0.898 -4.523 -7.609 203 H ALA 48 H ALA 48 -5.694 -4.294 -2.374 204 HA ALA 48 HA ALA 48 -7.144 -6.897 -2.656 205 1HB ALA 48 3HB ALA 48 -4.428 -6.554 -1.333 206 2HB ALA 48 1HB ALA 48 -5.341 -8.060 -1.527 207 3HB ALA 48 2HB ALA 48 -4.697 -7.234 -2.955 208 H GLY 49 H GLY 49 -6.975 -4.065 -0.813 209 1HA GLY 49 2HA GLY 49 -7.417 -4.572 1.820 210 2HA GLY 49 1HA GLY 49 -8.908 -5.191 1.105 No H/Q in entry = 210 Start of MODEL 17 1 H1 ARG 23 2H ARG 23 -8.231 0.701 1.840 2 H2 ARG 23 1H ARG 23 -9.554 -0.255 1.593 3 H3 ARG 23 3H ARG 23 -8.168 -0.481 0.732 4 HA ARG 23 HA ARG 23 -9.698 0.577 -0.701 5 1HB ARG 23 1HB ARG 23 -9.991 2.626 1.522 6 2HB ARG 23 2HB ARG 23 -10.463 2.925 -0.146 7 1HG ARG 23 1HG ARG 23 -11.711 0.932 1.764 8 2HG ARG 23 2HG ARG 23 -12.419 2.355 1.025 9 1HD ARG 23 1HD ARG 23 -13.367 0.711 -0.263 10 2HD ARG 23 2HD ARG 23 -11.977 1.121 -1.263 11 HE ARG 23 HE ARG 23 -12.099 -1.197 0.679 12 1HH1 ARG 23 2HH1 ARG 23 -11.071 -0.195 -2.556 13 2HH1 ARG 23 1HH1 ARG 23 -10.081 -1.628 -2.699 14 1HH2 ARG 23 2HH2 ARG 23 -11.229 -2.963 0.276 15 2HH2 ARG 23 1HH2 ARG 23 -10.400 -3.340 -1.238 16 H ALA 24 H ALA 24 -7.365 2.702 1.127 17 HA ALA 24 HA ALA 24 -5.873 3.153 -1.319 18 1HB ALA 24 3HB ALA 24 -7.552 5.417 -0.131 19 2HB ALA 24 2HB ALA 24 -7.791 4.661 -1.722 20 3HB ALA 24 1HB ALA 24 -6.329 5.608 -1.407 21 HA PRO 25 HA PRO 25 -2.520 3.775 1.507 22 1HB PRO 25 1HB PRO 25 -1.871 6.220 -0.161 23 2HB PRO 25 2HB PRO 25 -0.761 4.962 0.462 24 1HG PRO 25 1HG PRO 25 -1.623 4.877 -2.104 25 2HG PRO 25 2HG PRO 25 -1.557 3.371 -1.136 26 1HD PRO 25 1HD PRO 25 -3.950 5.052 -1.839 27 2HD PRO 25 2HD PRO 25 -3.790 3.273 -1.720 28 H ARG 26 H ARG 26 -4.356 6.707 0.756 29 HA ARG 26 HA ARG 26 -3.555 8.388 2.860 30 1HB ARG 26 1HB ARG 26 -5.370 9.779 2.226 31 2HB ARG 26 2HB ARG 26 -4.747 9.041 0.772 32 1HG ARG 26 1HG ARG 26 -6.755 8.185 0.247 33 2HG ARG 26 2HG ARG 26 -6.875 7.325 1.773 34 1HD ARG 26 1HD ARG 26 -7.698 10.213 1.261 35 2HD ARG 26 2HD ARG 26 -8.778 8.821 1.453 36 HE ARG 26 HE ARG 26 -7.030 9.145 3.751 37 1HH1 ARG 26 2HH1 ARG 26 -9.968 10.519 2.420 38 2HH1 ARG 26 1HH1 ARG 26 -10.507 11.077 3.980 39 1HH2 ARG 26 2HH2 ARG 26 -7.760 9.854 5.670 40 2HH2 ARG 26 1HH2 ARG 26 -9.275 10.705 5.785 41 H ARG 27 H ARG 27 -5.242 5.540 3.442 42 HA ARG 27 HA ARG 27 -6.201 6.620 6.082 43 1HB ARG 27 1HB ARG 27 -7.981 5.135 6.117 44 2HB ARG 27 2HB ARG 27 -7.937 5.730 4.471 45 1HG ARG 27 1HG ARG 27 -8.176 3.547 3.928 46 2HG ARG 27 2HG ARG 27 -6.430 3.471 4.153 47 1HD ARG 27 1HD ARG 27 -6.841 2.742 6.546 48 2HD ARG 27 2HD ARG 27 -8.570 2.752 6.217 49 HE ARG 27 HE ARG 27 -6.520 0.955 4.945 50 1HH1 ARG 27 2HH2 ARG 27 -9.995 1.513 5.354 51 2HH1 ARG 27 1HH2 ARG 27 -10.305 0.059 4.402 52 1HH2 ARG 27 1HH1 ARG 27 -7.071 -0.756 3.953 53 2HH2 ARG 27 2HH1 ARG 27 -8.780 -1.213 3.757 54 H GLN 28 H GLN 28 -3.717 4.809 4.807 55 HA GLN 28 HA GLN 28 -3.273 3.357 7.396 56 1HB GLN 28 1HB GLN 28 -4.188 2.032 5.290 57 2HB GLN 28 2HB GLN 28 -2.534 2.185 4.706 58 1HG GLN 28 1HG GLN 28 -2.008 1.221 7.196 59 2HG GLN 28 2HG GLN 28 -3.650 0.620 7.026 60 1HE2 GLN 28 2HE2 GLN 28 -3.985 -0.591 4.689 61 2HE2 GLN 28 1HE2 GLN 28 -2.652 -1.692 4.379 62 H GLY 29 H GLY 29 -1.865 5.387 4.935 63 1HA GLY 29 2HA GLY 29 0.757 5.628 6.049 64 2HA GLY 29 1HA GLY 29 0.263 6.015 4.392 65 H CYS 30 H CYS 30 -0.663 3.294 3.857 66 HA CYS 30 HA CYS 30 -0.238 1.123 3.670 67 1HB CYS 30 1HB CYS 30 2.005 2.486 2.168 68 2HB CYS 30 2HB CYS 30 1.695 0.743 2.035 69 H TRP 31 H TRP 31 0.913 2.014 6.291 70 HA TRP 31 HA TRP 31 3.508 0.977 6.603 71 1HB TRP 31 1HB TRP 31 1.671 2.387 8.185 72 2HB TRP 31 2HB TRP 31 1.995 0.931 9.105 73 HD1 TRP 31 HD1 TRP 31 4.890 0.410 9.094 74 HE1 TRP 31 HE1 TRP 31 6.740 2.077 9.714 75 HE3 TRP 31 HE3 TRP 31 2.275 4.781 8.496 76 HZ2 TRP 31 HZ2 TRP 31 7.076 4.938 9.835 77 HZ3 TRP 31 HZ3 TRP 31 3.400 6.971 8.865 78 HH2 TRP 31 HH2 TRP 31 5.795 7.060 9.519 79 H LYS 32 H LYS 32 0.637 -0.889 6.477 80 HA LYS 32 HA LYS 32 2.150 -3.341 7.313 81 1HB LYS 32 1HB LYS 32 0.237 -2.759 8.803 82 2HB LYS 32 2HB LYS 32 -0.832 -2.755 7.412 83 1HG LYS 32 1HG LYS 32 -1.275 -4.740 8.501 84 2HG LYS 32 2HG LYS 32 -0.347 -5.237 7.111 85 1HD LYS 32 1HD LYS 32 0.711 -4.916 9.961 86 2HD LYS 32 2HD LYS 32 0.169 -6.430 9.263 87 1HE LYS 32 1HE LYS 32 2.623 -4.836 8.417 88 2HE LYS 32 2HE LYS 32 2.588 -6.326 9.345 89 1HZ LYS 32 3HZ LYS 32 1.566 -7.423 7.385 90 2HZ LYS 32 1HZ LYS 32 1.760 -6.046 6.505 91 3HZ LYS 32 2HZ LYS 32 3.060 -6.850 7.068 92 H CYS 33 H CYS 33 0.160 -1.848 4.871 93 HA CYS 33 HA CYS 33 -0.125 -3.882 2.927 94 1HB CYS 33 1HB CYS 33 -1.309 -1.833 2.860 95 2HB CYS 33 2HB CYS 33 0.161 -0.867 2.993 96 H GLY 34 H GLY 34 2.611 -1.656 3.529 97 1HA GLY 34 2HA GLY 34 4.373 -3.229 1.688 98 2HA GLY 34 1HA GLY 34 4.701 -3.232 3.416 99 H LYS 35 H LYS 35 3.907 -0.182 3.430 100 HA LYS 35 HA LYS 35 5.436 1.341 1.704 101 1HB LYS 35 1HB LYS 35 3.761 2.117 3.333 102 2HB LYS 35 2HB LYS 35 4.897 1.916 4.647 103 1HG LYS 35 1HG LYS 35 5.722 3.640 2.304 104 2HG LYS 35 2HG LYS 35 4.422 4.246 3.294 105 1HD LYS 35 1HD LYS 35 7.204 3.530 4.317 106 2HD LYS 35 2HD LYS 35 6.611 5.146 3.982 107 1HE LYS 35 1HE LYS 35 5.560 3.254 6.137 108 2HE LYS 35 2HE LYS 35 6.609 4.649 6.384 109 1HZ LYS 35 2HZ LYS 35 4.789 6.049 5.481 110 2HZ LYS 35 3HZ LYS 35 3.806 4.730 5.409 111 3HZ LYS 35 1HZ LYS 35 4.360 5.269 6.853 112 H THR 36 H THR 36 6.768 -0.540 4.294 113 HA THR 36 HA THR 36 9.349 0.606 4.621 114 HB THR 36 HB THR 36 10.000 -1.721 5.292 115 HG1 THR 36 HG1 THR 36 8.373 -3.272 5.301 116 1HG2 THR 36 3HG2 THR 36 8.917 -0.154 6.916 117 2HG2 THR 36 1HG2 THR 36 7.330 -0.821 6.477 118 3HG2 THR 36 2HG2 THR 36 8.552 -1.854 7.245 119 H GLY 37 H GLY 37 8.068 -1.116 1.839 120 1HA GLY 37 2HA GLY 37 10.397 -2.051 0.585 121 2HA GLY 37 1HA GLY 37 10.391 -0.311 0.310 122 H HIS 38 H HIS 38 7.128 -1.304 0.270 123 HA HIS 38 HA HIS 38 7.021 -2.507 -2.317 124 1HB HIS 38 1HB HIS 38 4.760 -2.636 -2.060 125 2HB HIS 38 2HB HIS 38 5.324 -2.702 -0.413 126 HD1 HIS 38 HD1 HIS 38 5.333 0.895 -0.995 127 HD2 HIS 38 HD2 HIS 38 2.374 -2.081 -0.777 128 HE1 HIS 38 HE1 HIS 38 3.128 2.101 -0.559 129 H VAL 39 H VAL 39 5.519 -1.674 -4.026 130 HA VAL 39 HA VAL 39 5.735 1.248 -4.592 131 HB VAL 39 HB VAL 39 6.145 -1.014 -6.599 132 1HG1 VAL 39 2HG1 VAL 39 6.131 2.011 -7.014 133 2HG1 VAL 39 3HG1 VAL 39 6.673 0.818 -8.212 134 3HG1 VAL 39 1HG1 VAL 39 4.990 0.833 -7.716 135 1HG2 VAL 39 3HG2 VAL 39 8.078 1.113 -5.570 136 2HG2 VAL 39 1HG2 VAL 39 8.178 -0.634 -5.258 137 3HG2 VAL 39 2HG2 VAL 39 8.410 -0.026 -6.896 138 H MET 40 H MET 40 3.907 2.065 -5.742 139 HA MET 40 HA MET 40 1.468 1.075 -4.798 140 1HB MET 40 1HB MET 40 1.989 3.051 -7.042 141 2HB MET 40 2HB MET 40 0.413 2.770 -6.294 142 1HG MET 40 1HG MET 40 2.895 3.794 -4.866 143 2HG MET 40 2HG MET 40 1.489 4.741 -5.342 144 1HE MET 40 2HE MET 40 2.764 4.760 -2.412 145 2HE MET 40 3HE MET 40 1.350 5.740 -2.868 146 3HE MET 40 1HE MET 40 1.297 4.728 -1.408 147 H ALA 41 H ALA 41 3.077 -0.078 -7.636 148 HA ALA 41 HA ALA 41 0.865 -1.192 -9.060 149 1HB ALA 41 2HB ALA 41 3.160 -1.073 -9.943 150 2HB ALA 41 3HB ALA 41 3.720 -2.212 -8.694 151 3HB ALA 41 1HB ALA 41 2.571 -2.746 -9.940 152 H LYS 42 H LYS 42 2.705 -2.433 -6.237 153 HA LYS 42 HA LYS 42 1.258 -4.982 -6.070 154 1HB LYS 42 1HB LYS 42 3.635 -4.654 -5.356 155 2HB LYS 42 2HB LYS 42 3.108 -3.528 -4.120 156 1HG LYS 42 1HG LYS 42 1.593 -5.845 -3.575 157 2HG LYS 42 2HG LYS 42 3.132 -6.484 -4.131 158 1HD LYS 42 1HD LYS 42 4.339 -5.145 -2.436 159 2HD LYS 42 2HD LYS 42 2.813 -4.396 -1.921 160 1HE LYS 42 1HE LYS 42 1.953 -6.715 -1.358 161 2HE LYS 42 2HE LYS 42 3.566 -7.340 -1.705 162 1HZ LYS 42 2HZ LYS 42 4.422 -5.881 0.076 163 2HZ LYS 42 3HZ LYS 42 2.903 -5.359 0.436 164 3HZ LYS 42 1HZ LYS 42 3.313 -6.921 0.656 165 H CYS 43 H CYS 43 1.425 -2.126 -4.033 166 HA CYS 43 HA CYS 43 0.337 -1.905 -1.963 167 1HB CYS 43 1HB CYS 43 0.216 -0.139 -3.744 168 2HB CYS 43 2HB CYS 43 -1.459 -0.629 -4.031 169 HA PRO 44 HA PRO 44 -2.931 -5.218 -1.507 170 1HB PRO 44 1HB PRO 44 -1.610 -4.804 1.185 171 2HB PRO 44 2HB PRO 44 -2.363 -6.292 0.520 172 1HG PRO 44 1HG PRO 44 0.312 -5.983 0.394 173 2HG PRO 44 2HG PRO 44 -0.575 -6.585 -1.044 174 1HD PRO 44 1HD PRO 44 0.510 -3.826 -0.529 175 2HD PRO 44 2HD PRO 44 0.450 -4.755 -2.042 176 H GLU 45 H GLU 45 -2.265 -2.168 0.287 177 HA GLU 45 HA GLU 45 -4.795 -1.913 1.582 178 1HB GLU 45 1HB GLU 45 -2.940 -0.553 2.215 179 2HB GLU 45 2HB GLU 45 -2.748 0.083 0.593 180 1HG GLU 45 1HG GLU 45 -3.663 1.731 2.152 181 2HG GLU 45 2HG GLU 45 -4.696 1.418 0.763 182 H ARG 46 H ARG 46 -3.988 -1.358 -1.848 183 HA ARG 46 HA ARG 46 -6.518 -0.022 -2.491 184 1HB ARG 46 1HB ARG 46 -4.503 0.175 -3.897 185 2HB ARG 46 2HB ARG 46 -4.537 -1.566 -4.183 186 1HG ARG 46 1HG ARG 46 -6.760 -1.310 -5.338 187 2HG ARG 46 2HG ARG 46 -6.665 0.439 -5.071 188 1HD ARG 46 1HD ARG 46 -5.956 -0.207 -7.357 189 2HD ARG 46 2HD ARG 46 -4.650 0.566 -6.442 190 HE ARG 46 HE ARG 46 -4.801 -2.410 -6.401 191 1HH1 ARG 46 2HH2 ARG 46 -3.022 0.335 -7.640 192 2HH1 ARG 46 1HH2 ARG 46 -1.507 -0.512 -7.485 193 1HH2 ARG 46 2HH1 ARG 46 -2.989 -3.451 -6.473 194 2HH2 ARG 46 1HH1 ARG 46 -1.551 -2.776 -7.233 195 H GLN 47 H GLN 47 -5.390 -3.408 -2.546 196 HA GLN 47 HA GLN 47 -7.891 -4.454 -3.613 197 1HB GLN 47 1HB GLN 47 -5.502 -5.801 -2.271 198 2HB GLN 47 2HB GLN 47 -6.931 -6.660 -2.828 199 1HG GLN 47 1HG GLN 47 -5.489 -6.956 -4.593 200 2HG GLN 47 2HG GLN 47 -6.512 -5.641 -5.154 201 1HE2 GLN 47 1HE2 GLN 47 -3.296 -6.363 -3.678 202 2HE2 GLN 47 2HE2 GLN 47 -2.500 -4.952 -4.363 203 H ALA 48 H ALA 48 -6.459 -4.493 -0.314 204 HA ALA 48 HA ALA 48 -8.817 -5.859 0.760 205 1HB ALA 48 3HB ALA 48 -6.165 -5.047 2.029 206 2HB ALA 48 1HB ALA 48 -7.359 -6.168 2.715 207 3HB ALA 48 2HB ALA 48 -6.499 -6.599 1.227 208 H GLY 49 H GLY 49 -9.714 -5.304 2.821 209 1HA GLY 49 2HA GLY 49 -9.762 -3.005 4.337 210 2HA GLY 49 1HA GLY 49 -11.188 -3.980 3.998 No H/Q in entry = 210 Start of MODEL 18 1 H1 ARG 23 1H ARG 23 -8.214 1.207 1.707 2 H2 ARG 23 3H ARG 23 -9.428 0.198 1.232 3 H3 ARG 23 2H ARG 23 -7.980 0.222 0.447 4 HA ARG 23 HA ARG 23 -9.472 1.284 -0.934 5 1HB ARG 23 1HB ARG 23 -10.897 3.040 -0.422 6 2HB ARG 23 2HB ARG 23 -11.211 1.756 0.715 7 1HG ARG 23 1HG ARG 23 -9.704 4.347 1.317 8 2HG ARG 23 2HG ARG 23 -11.391 4.035 1.660 9 1HD ARG 23 1HD ARG 23 -9.047 2.590 2.943 10 2HD ARG 23 2HD ARG 23 -10.013 3.854 3.677 11 HE ARG 23 HE ARG 23 -10.806 1.031 3.196 12 1HH1 ARG 23 2HH2 ARG 23 -12.057 4.169 4.173 13 2HH1 ARG 23 1HH2 ARG 23 -13.379 3.440 5.041 14 1HH2 ARG 23 1HH1 ARG 23 -12.360 0.203 4.409 15 2HH2 ARG 23 2HH1 ARG 23 -13.580 1.235 5.134 16 H ALA 24 H ALA 24 -7.277 3.085 1.331 17 HA ALA 24 HA ALA 24 -5.882 4.204 -0.944 18 1HB ALA 24 3HB ALA 24 -7.541 6.056 0.834 19 2HB ALA 24 2HB ALA 24 -7.830 5.725 -0.889 20 3HB ALA 24 1HB ALA 24 -6.363 6.581 -0.389 21 HA PRO 25 HA PRO 25 -2.532 4.082 2.022 22 1HB PRO 25 1HB PRO 25 -1.690 6.661 0.686 23 2HB PRO 25 2HB PRO 25 -0.687 5.248 1.137 24 1HG PRO 25 1HG PRO 25 -1.514 5.577 -1.420 25 2HG PRO 25 2HG PRO 25 -1.580 3.954 -0.667 26 1HD PRO 25 1HD PRO 25 -3.828 5.907 -1.118 27 2HD PRO 25 2HD PRO 25 -3.802 4.124 -1.284 28 H ARG 26 H ARG 26 -4.258 7.147 1.655 29 HA ARG 26 HA ARG 26 -3.415 8.698 3.771 30 1HB ARG 26 1HB ARG 26 -5.001 9.350 2.003 31 2HB ARG 26 2HB ARG 26 -6.230 8.295 2.682 32 1HG ARG 26 1HG ARG 26 -6.742 10.572 3.179 33 2HG ARG 26 2HG ARG 26 -6.403 9.744 4.686 34 1HD ARG 26 1HD ARG 26 -4.314 11.421 3.226 35 2HD ARG 26 2HD ARG 26 -5.495 12.128 4.341 36 HE ARG 26 HE ARG 26 -4.235 9.967 5.682 37 1HH1 ARG 26 2HH1 ARG 26 -3.402 13.208 4.631 38 2HH1 ARG 26 1HH1 ARG 26 -2.203 13.396 5.883 39 1HH2 ARG 26 2HH2 ARG 26 -2.700 10.254 7.213 40 2HH2 ARG 26 1HH2 ARG 26 -1.817 11.751 7.315 41 H ARG 27 H ARG 27 -5.553 5.874 4.112 42 HA ARG 27 HA ARG 27 -6.089 6.533 6.956 43 1HB ARG 27 1HB ARG 27 -7.684 4.797 6.939 44 2HB ARG 27 2HB ARG 27 -7.894 5.706 5.456 45 1HG ARG 27 1HG ARG 27 -7.515 3.893 4.160 46 2HG ARG 27 2HG ARG 27 -6.047 3.458 5.014 47 1HD ARG 27 1HD ARG 27 -7.462 2.455 6.854 48 2HD ARG 27 2HD ARG 27 -8.888 2.755 5.838 49 HE ARG 27 HE ARG 27 -6.711 1.287 4.507 50 1HH1 ARG 27 2HH1 ARG 27 -9.750 0.784 6.210 51 2HH1 ARG 27 1HH1 ARG 27 -10.041 -0.674 5.280 52 1HH2 ARG 27 2HH2 ARG 27 -6.891 -0.618 3.857 53 2HH2 ARG 27 1HH2 ARG 27 -8.330 -1.614 4.152 54 H GLN 28 H GLN 28 -3.545 4.952 5.481 55 HA GLN 28 HA GLN 28 -3.042 3.204 7.869 56 1HB GLN 28 1HB GLN 28 -4.108 2.154 5.666 57 2HB GLN 28 2HB GLN 28 -2.470 2.293 5.042 58 1HG GLN 28 1HG GLN 28 -1.956 1.056 7.436 59 2HG GLN 28 2HG GLN 28 -3.610 0.518 7.180 60 1HE2 GLN 28 1HE2 GLN 28 -3.919 -0.333 4.638 61 2HE2 GLN 28 2HE2 GLN 28 -2.615 -1.428 4.230 62 H GLY 29 H GLY 29 -1.664 5.422 5.572 63 1HA GLY 29 2HA GLY 29 1.038 5.401 6.530 64 2HA GLY 29 1HA GLY 29 0.456 6.028 4.980 65 H CYS 30 H CYS 30 -0.670 3.354 4.262 66 HA CYS 30 HA CYS 30 -0.307 1.199 3.820 67 1HB CYS 30 1HB CYS 30 1.805 2.707 2.281 68 2HB CYS 30 2HB CYS 30 1.622 0.955 2.090 69 H TRP 31 H TRP 31 1.083 1.894 6.436 70 HA TRP 31 HA TRP 31 3.676 0.783 6.397 71 1HB TRP 31 1HB TRP 31 2.643 2.360 8.087 72 2HB TRP 31 2HB TRP 31 1.910 0.949 8.849 73 HD1 TRP 31 HD1 TRP 31 3.378 -0.195 10.629 74 HE1 TRP 31 HE1 TRP 31 5.849 -0.159 11.329 75 HE3 TRP 31 HE3 TRP 31 5.234 2.798 6.904 76 HZ2 TRP 31 HZ2 TRP 31 8.322 0.983 10.371 77 HZ3 TRP 31 HZ3 TRP 31 7.664 3.337 6.823 78 HH2 TRP 31 HH2 TRP 31 9.210 2.435 8.540 79 H LYS 32 H LYS 32 0.667 -0.951 6.670 80 HA LYS 32 HA LYS 32 2.090 -3.528 7.276 81 1HB LYS 32 1HB LYS 32 0.172 -2.867 8.716 82 2HB LYS 32 2HB LYS 32 -0.879 -2.854 7.294 83 1HG LYS 32 1HG LYS 32 -0.529 -5.270 6.973 84 2HG LYS 32 2HG LYS 32 0.677 -5.290 8.268 85 1HD LYS 32 1HD LYS 32 -1.407 -6.197 9.093 86 2HD LYS 32 2HD LYS 32 -1.068 -4.668 9.915 87 1HE LYS 32 1HE LYS 32 -2.659 -3.500 8.396 88 2HE LYS 32 2HE LYS 32 -2.971 -5.022 7.548 89 1HZ LYS 32 3HZ LYS 32 -3.861 -5.920 9.635 90 2HZ LYS 32 1HZ LYS 32 -3.570 -4.515 10.417 91 3HZ LYS 32 2HZ LYS 32 -4.676 -4.569 9.218 92 H CYS 33 H CYS 33 0.106 -1.876 4.897 93 HA CYS 33 HA CYS 33 -0.234 -3.809 2.872 94 1HB CYS 33 1HB CYS 33 -1.379 -1.737 2.882 95 2HB CYS 33 2HB CYS 33 0.111 -0.802 3.027 96 H GLY 34 H GLY 34 2.555 -1.657 3.487 97 1HA GLY 34 2HA GLY 34 4.275 -3.238 1.618 98 2HA GLY 34 1HA GLY 34 4.602 -3.284 3.346 99 H LYS 35 H LYS 35 3.849 -0.200 3.358 100 HA LYS 35 HA LYS 35 5.464 1.241 1.625 101 1HB LYS 35 1HB LYS 35 3.690 2.096 3.090 102 2HB LYS 35 2HB LYS 35 4.741 1.992 4.491 103 1HG LYS 35 1HG LYS 35 5.717 3.546 2.094 104 2HG LYS 35 2HG LYS 35 4.371 4.233 2.981 105 1HD LYS 35 1HD LYS 35 5.558 4.550 4.947 106 2HD LYS 35 2HD LYS 35 6.803 3.362 4.565 107 1HE LYS 35 1HE LYS 35 6.442 5.890 2.915 108 2HE LYS 35 2HE LYS 35 7.407 5.886 4.395 109 1HZ LYS 35 3HZ LYS 35 7.937 3.996 2.166 110 2HZ LYS 35 1HZ LYS 35 8.711 5.438 2.322 111 3HZ LYS 35 2HZ LYS 35 8.879 4.276 3.455 112 H THR 36 H THR 36 6.709 -0.624 4.224 113 HA THR 36 HA THR 36 9.281 0.562 4.622 114 HB THR 36 HB THR 36 9.945 -1.773 5.252 115 HG1 THR 36 HG1 THR 36 8.319 -3.330 5.243 116 1HG2 THR 36 3HG2 THR 36 8.868 -0.243 6.907 117 2HG2 THR 36 1HG2 THR 36 7.277 -0.887 6.452 118 3HG2 THR 36 2HG2 THR 36 8.487 -1.947 7.203 119 H GLY 37 H GLY 37 8.006 -1.127 1.815 120 1HA GLY 37 2HA GLY 37 10.338 -2.000 0.528 121 2HA GLY 37 1HA GLY 37 10.302 -0.256 0.280 122 H HIS 38 H HIS 38 7.053 -1.269 0.241 123 HA HIS 38 HA HIS 38 6.924 -2.484 -2.334 124 1HB HIS 38 1HB HIS 38 4.632 -2.534 -2.072 125 2HB HIS 38 2HB HIS 38 5.246 -2.683 -0.449 126 HD1 HIS 38 HD1 HIS 38 5.309 0.953 -1.118 127 HD2 HIS 38 HD2 HIS 38 2.366 -1.973 -0.456 128 HE1 HIS 38 HE1 HIS 38 3.183 2.206 -0.475 129 H VAL 39 H VAL 39 5.382 -1.662 -4.030 130 HA VAL 39 HA VAL 39 5.595 1.245 -4.652 131 HB VAL 39 HB VAL 39 6.024 -1.042 -6.627 132 1HG1 VAL 39 2HG1 VAL 39 6.034 1.978 -7.072 133 2HG1 VAL 39 3HG1 VAL 39 6.602 0.776 -8.247 134 3HG1 VAL 39 1HG1 VAL 39 4.909 0.795 -7.792 135 1HG2 VAL 39 2HG2 VAL 39 7.966 1.074 -5.594 136 2HG2 VAL 39 3HG2 VAL 39 8.048 -0.672 -5.276 137 3HG2 VAL 39 1HG2 VAL 39 8.299 -0.072 -6.912 138 H MET 40 H MET 40 3.793 1.994 -5.950 139 HA MET 40 HA MET 40 1.293 1.136 -5.050 140 1HB MET 40 1HB MET 40 1.904 2.766 -7.532 141 2HB MET 40 2HB MET 40 0.337 2.648 -6.736 142 1HG MET 40 1HG MET 40 2.872 3.901 -5.649 143 2HG MET 40 2HG MET 40 1.369 4.703 -6.066 144 1HE MET 40 2HE MET 40 -0.919 4.412 -4.652 145 2HE MET 40 3HE MET 40 -0.802 2.635 -4.629 146 3HE MET 40 1HE MET 40 -1.015 3.527 -3.114 147 H ALA 41 H ALA 41 3.027 -0.237 -7.736 148 HA ALA 41 HA ALA 41 0.865 -1.538 -9.090 149 1HB ALA 41 3HB ALA 41 3.138 -1.313 -10.013 150 2HB ALA 41 1HB ALA 41 3.787 -2.355 -8.723 151 3HB ALA 41 2HB ALA 41 2.659 -3.018 -9.925 152 H LYS 42 H LYS 42 2.826 -2.542 -6.235 153 HA LYS 42 HA LYS 42 1.370 -5.086 -5.896 154 1HB LYS 42 1HB LYS 42 3.761 -4.788 -5.201 155 2HB LYS 42 2HB LYS 42 3.259 -3.604 -4.005 156 1HG LYS 42 1HG LYS 42 1.625 -5.869 -3.479 157 2HG LYS 42 2HG LYS 42 3.181 -6.551 -3.923 158 1HD LYS 42 1HD LYS 42 4.299 -5.209 -2.171 159 2HD LYS 42 2HD LYS 42 2.753 -4.426 -1.767 160 1HE LYS 42 1HE LYS 42 1.795 -6.693 -1.237 161 2HE LYS 42 2HE LYS 42 3.384 -7.405 -1.536 162 1HZ LYS 42 1HZ LYS 42 4.252 -6.029 0.297 163 2HZ LYS 42 2HZ LYS 42 2.756 -5.411 0.596 164 3HZ LYS 42 3HZ LYS 42 3.054 -6.999 0.821 165 H CYS 43 H CYS 43 1.675 -2.148 -3.992 166 HA CYS 43 HA CYS 43 0.542 -1.924 -1.889 167 1HB CYS 43 1HB CYS 43 0.878 -0.074 -3.433 168 2HB CYS 43 2HB CYS 43 -0.746 -0.329 -4.111 169 HA PRO 44 HA PRO 44 -3.138 -4.778 -1.829 170 1HB PRO 44 1HB PRO 44 -2.079 -4.575 1.004 171 2HB PRO 44 2HB PRO 44 -2.901 -5.959 0.210 172 1HG PRO 44 1HG PRO 44 -0.204 -5.917 0.390 173 2HG PRO 44 2HG PRO 44 -0.983 -6.406 -1.150 174 1HD PRO 44 1HD PRO 44 0.306 -3.783 -0.446 175 2HD PRO 44 2HD PRO 44 0.321 -4.677 -1.981 176 H GLU 45 H GLU 45 -2.347 -1.887 0.179 177 HA GLU 45 HA GLU 45 -4.907 -1.428 1.296 178 1HB GLU 45 1HB GLU 45 -2.926 -0.265 2.032 179 2HB GLU 45 2HB GLU 45 -2.731 0.501 0.461 180 1HG GLU 45 1HG GLU 45 -3.594 2.036 2.185 181 2HG GLU 45 2HG GLU 45 -4.649 1.890 0.785 182 H ARG 46 H ARG 46 -3.928 -0.980 -2.045 183 HA ARG 46 HA ARG 46 -6.019 0.657 -3.075 184 1HB ARG 46 1HB ARG 46 -3.989 -0.221 -4.245 185 2HB ARG 46 2HB ARG 46 -4.699 -1.838 -4.186 186 1HG ARG 46 1HG ARG 46 -6.537 -1.061 -5.696 187 2HG ARG 46 2HG ARG 46 -5.796 0.545 -5.737 188 1HD ARG 46 1HD ARG 46 -5.195 -0.806 -7.726 189 2HD ARG 46 2HD ARG 46 -3.779 -0.367 -6.770 190 HE ARG 46 HE ARG 46 -5.114 -3.070 -6.596 191 1HH1 ARG 46 1HH1 ARG 46 -2.042 -1.314 -6.855 192 2HH1 ARG 46 2HH1 ARG 46 -1.174 -2.816 -6.722 193 1HH2 ARG 46 2HH2 ARG 46 -3.893 -4.754 -6.098 194 2HH2 ARG 46 1HH2 ARG 46 -2.151 -4.574 -5.917 195 H GLN 47 H GLN 47 -6.160 -2.636 -1.869 196 HA GLN 47 HA GLN 47 -9.026 -2.950 -2.714 197 1HB GLN 47 1HB GLN 47 -6.668 -4.859 -2.941 198 2HB GLN 47 2HB GLN 47 -8.346 -5.374 -3.132 199 1HG GLN 47 1HG GLN 47 -8.668 -3.999 -5.080 200 2HG GLN 47 2HG GLN 47 -7.126 -3.176 -4.845 201 1HE2 GLN 47 1HE2 GLN 47 -8.481 -6.442 -5.602 202 2HE2 GLN 47 2HE2 GLN 47 -7.047 -6.932 -6.494 203 H ALA 48 H ALA 48 -6.798 -3.268 -0.075 204 HA ALA 48 HA ALA 48 -8.077 -5.325 1.401 205 1HB ALA 48 1HB ALA 48 -6.173 -3.124 2.304 206 2HB ALA 48 2HB ALA 48 -6.507 -4.644 3.162 207 3HB ALA 48 3HB ALA 48 -5.706 -4.687 1.588 208 H GLY 49 H GLY 49 -10.225 -3.697 0.764 209 1HA GLY 49 2HA GLY 49 -11.733 -3.485 3.108 210 2HA GLY 49 1HA GLY 49 -12.112 -2.647 1.601 No H/Q in entry = 210 Start of MODEL 19 1 H1 ARG 23 3H ARG 23 -3.511 0.477 -2.081 2 H2 ARG 23 2H ARG 23 -3.250 -0.617 -3.275 3 H3 ARG 23 1H ARG 23 -2.832 0.951 -3.489 4 HA ARG 23 HA ARG 23 -4.818 0.573 -4.727 5 1HB ARG 23 1HB ARG 23 -5.799 -0.663 -2.142 6 2HB ARG 23 2HB ARG 23 -6.933 0.039 -3.303 7 1HG ARG 23 1HG ARG 23 -6.008 -1.373 -5.110 8 2HG ARG 23 2HG ARG 23 -4.921 -2.161 -3.960 9 1HD ARG 23 1HD ARG 23 -7.958 -2.132 -3.683 10 2HD ARG 23 2HD ARG 23 -7.069 -3.393 -4.534 11 HE ARG 23 HE ARG 23 -5.841 -3.863 -2.403 12 1HH1 ARG 23 2HH1 ARG 23 -9.083 -2.468 -2.068 13 2HH1 ARG 23 1HH1 ARG 23 -9.226 -3.175 -0.461 14 1HH2 ARG 23 2HH2 ARG 23 -6.223 -4.755 -0.543 15 2HH2 ARG 23 1HH2 ARG 23 -7.773 -4.536 0.290 16 H ALA 24 H ALA 24 -5.424 1.741 -1.354 17 HA ALA 24 HA ALA 24 -5.882 4.490 -2.385 18 1HB ALA 24 3HB ALA 24 -8.075 3.394 -2.365 19 2HB ALA 24 1HB ALA 24 -7.827 2.878 -0.683 20 3HB ALA 24 2HB ALA 24 -7.970 4.606 -1.076 21 HA PRO 25 HA PRO 25 -3.006 3.554 1.139 22 1HB PRO 25 1HB PRO 25 -1.094 5.534 0.696 23 2HB PRO 25 2HB PRO 25 -1.142 3.938 -0.103 24 1HG PRO 25 1HG PRO 25 -2.225 6.558 -1.149 25 2HG PRO 25 2HG PRO 25 -1.210 5.346 -2.001 26 1HD PRO 25 1HD PRO 25 -3.871 5.388 -2.366 27 2HD PRO 25 2HD PRO 25 -3.024 3.821 -2.175 28 H ARG 26 H ARG 26 -4.559 6.625 0.548 29 HA ARG 26 HA ARG 26 -3.798 8.129 2.792 30 1HB ARG 26 1HB ARG 26 -5.638 9.546 2.288 31 2HB ARG 26 2HB ARG 26 -5.021 8.931 0.775 32 1HG ARG 26 1HG ARG 26 -7.066 8.223 0.208 33 2HG ARG 26 2HG ARG 26 -7.076 7.083 1.541 34 1HD ARG 26 1HD ARG 26 -8.055 9.969 1.595 35 2HD ARG 26 2HD ARG 26 -9.048 8.504 1.598 36 HE ARG 26 HE ARG 26 -7.136 8.775 3.840 37 1HH1 ARG 26 2HH1 ARG 26 -10.462 9.382 2.912 38 2HH1 ARG 26 1HH1 ARG 26 -10.987 9.458 4.573 39 1HH2 ARG 26 2HH2 ARG 26 -7.850 8.870 5.878 40 2HH2 ARG 26 1HH2 ARG 26 -9.531 9.178 6.217 41 H ARG 27 H ARG 27 -5.648 5.273 2.997 42 HA ARG 27 HA ARG 27 -6.870 6.025 5.613 43 1HB ARG 27 1HB ARG 27 -8.165 4.032 5.448 44 2HB ARG 27 2HB ARG 27 -8.236 4.875 3.903 45 1HG ARG 27 1HG ARG 27 -6.490 3.284 3.017 46 2HG ARG 27 2HG ARG 27 -6.558 2.397 4.542 47 1HD ARG 27 1HD ARG 27 -8.856 1.791 4.196 48 2HD ARG 27 2HD ARG 27 -9.015 2.903 2.822 49 HE ARG 27 HE ARG 27 -7.122 1.393 1.783 50 1HH1 ARG 27 1HH2 ARG 27 -9.932 0.062 3.530 51 2HH1 ARG 27 2HH2 ARG 27 -9.815 -1.390 2.531 52 1HH2 ARG 27 1HH1 ARG 27 -7.176 -0.377 0.718 53 2HH2 ARG 27 2HH1 ARG 27 -8.373 -1.661 1.088 54 H GLN 28 H GLN 28 -3.914 4.775 4.676 55 HA GLN 28 HA GLN 28 -3.449 3.572 7.375 56 1HB GLN 28 1HB GLN 28 -4.177 1.903 5.462 57 2HB GLN 28 2HB GLN 28 -2.556 2.177 4.836 58 1HG GLN 28 1HG GLN 28 -1.837 1.525 7.337 59 2HG GLN 28 2HG GLN 28 -3.452 0.821 7.392 60 1HE2 GLN 28 1HE2 GLN 28 -3.927 -0.793 5.485 61 2HE2 GLN 28 2HE2 GLN 28 -2.544 -1.736 4.952 62 H GLY 29 H GLY 29 -2.137 5.334 4.631 63 1HA GLY 29 2HA GLY 29 0.461 5.881 5.766 64 2HA GLY 29 1HA GLY 29 -0.052 6.104 4.087 65 H CYS 30 H CYS 30 -0.854 3.226 3.937 66 HA CYS 30 HA CYS 30 -0.230 1.097 3.858 67 1HB CYS 30 1HB CYS 30 1.675 2.619 2.098 68 2HB CYS 30 2HB CYS 30 1.736 0.847 2.172 69 H TRP 31 H TRP 31 1.057 2.376 6.274 70 HA TRP 31 HA TRP 31 3.660 1.390 6.647 71 1HB TRP 31 1HB TRP 31 1.658 2.758 8.204 72 2HB TRP 31 2HB TRP 31 2.323 1.474 9.188 73 HD1 TRP 31 HD1 TRP 31 5.165 1.412 9.136 74 HE1 TRP 31 HE1 TRP 31 6.792 3.385 9.392 75 HE3 TRP 31 HE3 TRP 31 1.983 5.244 7.924 76 HZ2 TRP 31 HZ2 TRP 31 6.741 6.246 9.029 77 HZ3 TRP 31 HZ3 TRP 31 2.810 7.593 7.877 78 HH2 TRP 31 HH2 TRP 31 5.182 8.100 8.419 79 H LYS 32 H LYS 32 0.839 -0.509 6.608 80 HA LYS 32 HA LYS 32 2.336 -2.884 7.664 81 1HB LYS 32 1HB LYS 32 0.468 -1.957 9.109 82 2HB LYS 32 2HB LYS 32 -0.664 -2.412 7.832 83 1HG LYS 32 1HG LYS 32 -0.111 -4.775 8.132 84 2HG LYS 32 2HG LYS 32 1.250 -4.368 9.182 85 1HD LYS 32 1HD LYS 32 -0.544 -5.122 10.605 86 2HD LYS 32 2HD LYS 32 -0.309 -3.398 10.847 87 1HE LYS 32 1HE LYS 32 -2.593 -3.414 10.730 88 2HE LYS 32 2HE LYS 32 -2.232 -3.160 9.026 89 1HZ LYS 32 3HZ LYS 32 -2.405 -5.691 8.834 90 2HZ LYS 32 1HZ LYS 32 -3.029 -5.693 10.344 91 3HZ LYS 32 2HZ LYS 32 -3.805 -4.896 9.136 92 H CYS 33 H CYS 33 0.224 -1.606 5.163 93 HA CYS 33 HA CYS 33 -0.173 -3.833 3.468 94 1HB CYS 33 1HB CYS 33 -1.236 -1.636 3.202 95 2HB CYS 33 2HB CYS 33 0.337 -0.883 2.931 96 H GLY 34 H GLY 34 2.602 -1.566 3.653 97 1HA GLY 34 2HA GLY 34 4.234 -3.272 1.839 98 2HA GLY 34 1HA GLY 34 4.706 -3.205 3.533 99 H LYS 35 H LYS 35 3.867 -0.139 3.427 100 HA LYS 35 HA LYS 35 5.371 1.249 1.529 101 1HB LYS 35 1HB LYS 35 3.666 2.146 3.057 102 2HB LYS 35 2HB LYS 35 4.787 2.077 4.403 103 1HG LYS 35 1HG LYS 35 5.604 3.601 1.922 104 2HG LYS 35 2HG LYS 35 4.289 4.269 2.856 105 1HD LYS 35 1HD LYS 35 7.064 3.669 3.968 106 2HD LYS 35 2HD LYS 35 6.493 5.243 3.448 107 1HE LYS 35 1HE LYS 35 5.365 3.608 5.769 108 2HE LYS 35 2HE LYS 35 6.453 4.989 5.894 109 1HZ LYS 35 1HZ LYS 35 4.686 6.334 4.796 110 2HZ LYS 35 2HZ LYS 35 3.662 5.045 4.887 111 3HZ LYS 35 3HZ LYS 35 4.232 5.742 6.250 112 H THR 36 H THR 36 6.686 -0.477 4.197 113 HA THR 36 HA THR 36 9.288 0.642 4.460 114 HB THR 36 HB THR 36 9.899 -1.677 5.205 115 HG1 THR 36 HG1 THR 36 8.236 -3.189 5.288 116 1HG2 THR 36 1HG2 THR 36 8.872 -0.030 6.788 117 2HG2 THR 36 2HG2 THR 36 7.264 -0.676 6.391 118 3HG2 THR 36 3HG2 THR 36 8.472 -1.710 7.179 119 H GLY 37 H GLY 37 7.942 -1.138 1.746 120 1HA GLY 37 2HA GLY 37 10.225 -2.212 0.530 121 2HA GLY 37 1HA GLY 37 10.293 -0.488 0.180 122 H HIS 38 H HIS 38 7.001 -1.558 0.211 123 HA HIS 38 HA HIS 38 6.885 -2.651 -2.443 124 1HB HIS 38 1HB HIS 38 4.614 -2.868 -2.116 125 2HB HIS 38 2HB HIS 38 5.279 -3.061 -0.513 126 HD1 HIS 38 HD1 HIS 38 5.089 0.603 -1.043 127 HD2 HIS 38 HD2 HIS 38 2.408 -2.548 -0.294 128 HE1 HIS 38 HE1 HIS 38 2.929 1.678 -0.215 129 H VAL 39 H VAL 39 5.188 -1.710 -4.028 130 HA VAL 39 HA VAL 39 5.477 1.235 -4.430 131 HB VAL 39 HB VAL 39 5.795 -0.859 -6.624 132 1HG1 VAL 39 2HG1 VAL 39 6.120 2.179 -6.676 133 2HG1 VAL 39 3HG1 VAL 39 6.547 1.080 -8.003 134 3HG1 VAL 39 1HG1 VAL 39 4.868 1.237 -7.522 135 1HG2 VAL 39 3HG2 VAL 39 7.909 0.910 -5.314 136 2HG2 VAL 39 1HG2 VAL 39 7.829 -0.866 -5.248 137 3HG2 VAL 39 2HG2 VAL 39 8.153 -0.065 -6.781 138 H MET 40 H MET 40 3.704 2.191 -5.520 139 HA MET 40 HA MET 40 1.119 1.208 -4.978 140 1HB MET 40 1HB MET 40 2.008 3.294 -6.997 141 2HB MET 40 2HB MET 40 0.335 3.011 -6.494 142 1HG MET 40 1HG MET 40 0.971 3.480 -4.134 143 2HG MET 40 2HG MET 40 2.613 3.858 -4.665 144 1HE MET 40 1HE MET 40 1.012 5.813 -2.860 145 2HE MET 40 2HE MET 40 2.618 6.207 -3.515 146 3HE MET 40 3HE MET 40 1.289 7.376 -3.661 147 H ALA 41 H ALA 41 3.124 0.485 -7.735 148 HA ALA 41 HA ALA 41 1.143 -0.649 -9.476 149 1HB ALA 41 3HB ALA 41 3.383 0.131 -10.187 150 2HB ALA 41 1HB ALA 41 4.143 -1.158 -9.222 151 3HB ALA 41 2HB ALA 41 3.123 -1.566 -10.619 152 H LYS 42 H LYS 42 1.979 -1.769 -6.417 153 HA LYS 42 HA LYS 42 0.843 -4.443 -7.057 154 1HB LYS 42 1HB LYS 42 3.397 -4.555 -6.993 155 2HB LYS 42 2HB LYS 42 3.319 -4.056 -5.314 156 1HG LYS 42 1HG LYS 42 3.604 -6.459 -5.473 157 2HG LYS 42 2HG LYS 42 2.058 -6.087 -4.727 158 1HD LYS 42 1HD LYS 42 1.901 -7.977 -6.246 159 2HD LYS 42 2HD LYS 42 0.860 -6.684 -6.803 160 1HE LYS 42 1HE LYS 42 3.673 -6.850 -7.915 161 2HE LYS 42 2HE LYS 42 2.531 -8.102 -8.392 162 1HZ LYS 42 1HZ LYS 42 1.039 -6.391 -9.236 163 2HZ LYS 42 2HZ LYS 42 2.074 -5.188 -8.837 164 3HZ LYS 42 3HZ LYS 42 2.487 -6.286 -9.965 165 H CYS 43 H CYS 43 1.773 -2.237 -4.465 166 HA CYS 43 HA CYS 43 0.847 -2.350 -2.204 167 1HB CYS 43 1HB CYS 43 1.048 -0.322 -3.510 168 2HB CYS 43 2HB CYS 43 -0.586 -0.549 -4.169 169 HA PRO 44 HA PRO 44 -2.713 -5.172 -2.943 170 1HB PRO 44 1HB PRO 44 -2.301 -6.999 -0.933 171 2HB PRO 44 2HB PRO 44 -1.373 -6.979 -2.462 172 1HG PRO 44 1HG PRO 44 -0.576 -5.773 0.209 173 2HG PRO 44 2HG PRO 44 0.396 -6.833 -0.863 174 1HD PRO 44 1HD PRO 44 0.671 -4.135 -0.905 175 2HD PRO 44 2HD PRO 44 0.755 -5.089 -2.415 176 H GLU 45 H GLU 45 -1.902 -3.727 0.185 177 HA GLU 45 HA GLU 45 -3.070 -2.853 1.862 178 1HB GLU 45 1HB GLU 45 -3.758 -1.753 -0.504 179 2HB GLU 45 2HB GLU 45 -5.362 -2.156 0.092 180 1HG GLU 45 1HG GLU 45 -4.957 -0.817 2.124 181 2HG GLU 45 2HG GLU 45 -3.270 -0.548 1.642 182 H ARG 46 H ARG 46 -4.187 -5.737 0.973 183 HA ARG 46 HA ARG 46 -6.715 -6.098 2.268 184 1HB ARG 46 1HB ARG 46 -4.321 -7.956 1.984 185 2HB ARG 46 2HB ARG 46 -5.904 -8.488 2.528 186 1HG ARG 46 1HG ARG 46 -5.787 -7.074 -0.143 187 2HG ARG 46 2HG ARG 46 -5.058 -8.666 -0.019 188 1HD ARG 46 1HD ARG 46 -7.277 -8.957 -0.794 189 2HD ARG 46 2HD ARG 46 -7.175 -9.604 0.847 190 HE ARG 46 HE ARG 46 -8.124 -6.888 0.972 191 1HH1 ARG 46 2HH2 ARG 46 -9.327 -10.022 -0.075 192 2HH1 ARG 46 1HH2 ARG 46 -10.983 -9.539 0.174 193 1HH2 ARG 46 2HH1 ARG 46 -10.122 -6.362 1.229 194 2HH2 ARG 46 1HH1 ARG 46 -11.454 -7.479 0.917 195 H GLN 47 H GLN 47 -3.640 -5.488 3.610 196 HA GLN 47 HA GLN 47 -3.969 -6.262 6.327 197 1HB GLN 47 1HB GLN 47 -2.372 -4.092 4.911 198 2HB GLN 47 2HB GLN 47 -2.201 -4.396 6.634 199 1HG GLN 47 1HG GLN 47 -1.820 -6.634 4.582 200 2HG GLN 47 2HG GLN 47 -0.536 -5.534 5.014 201 1HE2 GLN 47 2HE2 GLN 47 0.622 -7.507 5.770 202 2HE2 GLN 47 1HE2 GLN 47 0.238 -8.111 7.376 203 H ALA 48 H ALA 48 -5.613 -3.719 4.609 204 HA ALA 48 HA ALA 48 -6.916 -2.956 7.187 205 1HB ALA 48 2HB ALA 48 -5.449 -1.115 6.609 206 2HB ALA 48 1HB ALA 48 -7.128 -0.634 6.345 207 3HB ALA 48 3HB ALA 48 -6.117 -1.053 4.947 208 H GLY 49 H GLY 49 -7.300 -3.633 3.722 209 1HA GLY 49 2HA GLY 49 -10.230 -3.276 3.753 210 2HA GLY 49 1HA GLY 49 -9.681 -4.945 3.906 No H/Q in entry = 210 Start of MODEL 20 1 H1 ARG 23 2H ARG 23 -7.825 -1.026 0.974 2 H2 ARG 23 1H ARG 23 -7.964 -1.004 2.603 3 H3 ARG 23 3H ARG 23 -8.738 -2.149 1.745 4 HA ARG 23 HA ARG 23 -10.166 -0.605 0.696 5 1HB ARG 23 1HB ARG 23 -11.651 -0.198 2.436 6 2HB ARG 23 2HB ARG 23 -10.748 -1.615 2.936 7 1HG ARG 23 1HG ARG 23 -9.270 0.118 4.294 8 2HG ARG 23 2HG ARG 23 -10.620 1.222 4.002 9 1HD ARG 23 1HD ARG 23 -11.114 0.318 6.088 10 2HD ARG 23 2HD ARG 23 -12.115 -0.666 5.001 11 HE ARG 23 HE ARG 23 -9.622 -1.975 5.221 12 1HH1 ARG 23 2HH2 ARG 23 -12.358 -1.408 7.329 13 2HH1 ARG 23 1HH2 ARG 23 -11.846 -2.640 8.452 14 1HH2 ARG 23 2HH1 ARG 23 -8.906 -3.290 6.753 15 2HH2 ARG 23 1HH1 ARG 23 -9.945 -3.757 8.091 16 H ALA 24 H ALA 24 -7.773 1.128 2.749 17 HA ALA 24 HA ALA 24 -8.181 3.616 1.249 18 1HB ALA 24 3HB ALA 24 -9.107 3.374 4.144 19 2HB ALA 24 2HB ALA 24 -10.122 3.701 2.723 20 3HB ALA 24 1HB ALA 24 -8.923 4.896 3.245 21 HA PRO 25 HA PRO 25 -3.961 2.980 2.977 22 1HB PRO 25 1HB PRO 25 -2.502 4.271 1.032 23 2HB PRO 25 2HB PRO 25 -3.148 2.612 0.865 24 1HG PRO 25 1HG PRO 25 -4.362 5.181 -0.170 25 2HG PRO 25 2HG PRO 25 -4.118 3.633 -1.042 26 1HD PRO 25 1HD PRO 25 -6.506 4.294 0.067 27 2HD PRO 25 2HD PRO 25 -5.917 2.605 0.090 28 H ARG 26 H ARG 26 -5.472 6.052 2.168 29 HA ARG 26 HA ARG 26 -3.605 7.881 3.190 30 1HB ARG 26 1HB ARG 26 -5.551 8.548 1.894 31 2HB ARG 26 2HB ARG 26 -6.650 7.958 3.139 32 1HG ARG 26 1HG ARG 26 -6.526 10.396 3.153 33 2HG ARG 26 2HG ARG 26 -5.962 9.726 4.675 34 1HD ARG 26 1HD ARG 26 -3.560 10.021 3.779 35 2HD ARG 26 2HD ARG 26 -4.271 10.861 2.407 36 HE ARG 26 HE ARG 26 -4.731 12.706 3.756 37 1HH1 ARG 26 2HH2 ARG 26 -3.721 10.094 5.910 38 2HH1 ARG 26 1HH2 ARG 26 -3.507 11.196 7.245 39 1HH2 ARG 26 1HH1 ARG 26 -4.470 14.006 5.529 40 2HH2 ARG 26 2HH1 ARG 26 -3.939 13.328 7.040 41 H ARG 27 H ARG 27 -5.782 5.850 5.079 42 HA ARG 27 HA ARG 27 -5.352 7.277 7.589 43 1HB ARG 27 1HB ARG 27 -6.786 5.722 8.549 44 2HB ARG 27 2HB ARG 27 -7.365 5.830 6.893 45 1HG ARG 27 1HG ARG 27 -5.891 3.711 6.456 46 2HG ARG 27 2HG ARG 27 -5.775 3.597 8.218 47 1HD ARG 27 1HD ARG 27 -8.323 3.694 8.276 48 2HD ARG 27 2HD ARG 27 -8.304 3.475 6.526 49 HE ARG 27 HE ARG 27 -7.869 1.479 8.587 50 1HH1 ARG 27 1HH2 ARG 27 -6.885 2.136 5.280 51 2HH1 ARG 27 2HH2 ARG 27 -6.783 0.441 4.881 52 1HH2 ARG 27 1HH1 ARG 27 -7.691 -0.643 8.031 53 2HH2 ARG 27 2HH1 ARG 27 -7.289 -1.120 6.408 54 H GLN 28 H GLN 28 -3.270 5.349 5.878 55 HA GLN 28 HA GLN 28 -1.972 4.068 8.259 56 1HB GLN 28 1HB GLN 28 -3.708 2.737 7.068 57 2HB GLN 28 2HB GLN 28 -2.815 2.921 5.561 58 1HG GLN 28 1HG GLN 28 -0.959 1.569 6.503 59 2HG GLN 28 2HG GLN 28 -1.829 1.452 8.046 60 1HE2 GLN 28 2HE2 GLN 28 -2.010 0.604 4.555 61 2HE2 GLN 28 1HE2 GLN 28 -3.254 -0.613 4.762 62 H GLY 29 H GLY 29 -1.436 5.661 5.167 63 1HA GLY 29 2HA GLY 29 1.389 5.935 5.419 64 2HA GLY 29 1HA GLY 29 0.440 6.120 3.936 65 H CYS 30 H CYS 30 -0.579 3.408 3.918 66 HA CYS 30 HA CYS 30 -0.171 1.218 3.616 67 1HB CYS 30 1HB CYS 30 1.722 2.678 1.795 68 2HB CYS 30 2HB CYS 30 1.757 0.914 1.826 69 H TRP 31 H TRP 31 1.447 2.297 6.032 70 HA TRP 31 HA TRP 31 3.900 0.908 6.076 71 1HB TRP 31 1HB TRP 31 2.925 2.716 7.650 72 2HB TRP 31 2HB TRP 31 2.256 1.372 8.569 73 HD1 TRP 31 HD1 TRP 31 3.859 0.472 10.380 74 HE1 TRP 31 HE1 TRP 31 6.366 0.643 10.913 75 HE3 TRP 31 HE3 TRP 31 5.409 2.980 6.187 76 HZ2 TRP 31 HZ2 TRP 31 8.741 1.740 9.682 77 HZ3 TRP 31 HZ3 TRP 31 7.807 3.564 5.888 78 HH2 TRP 31 HH2 TRP 31 9.474 2.962 7.629 79 H LYS 32 H LYS 32 0.706 -0.311 7.017 80 HA LYS 32 HA LYS 32 1.517 -3.024 7.722 81 1HB LYS 32 1HB LYS 32 -0.627 -1.917 8.412 82 2HB LYS 32 2HB LYS 32 -1.121 -1.881 6.726 83 1HG LYS 32 1HG LYS 32 -0.895 -4.505 6.820 84 2HG LYS 32 2HG LYS 32 -0.825 -4.272 8.569 85 1HD LYS 32 1HD LYS 32 -3.127 -4.690 8.057 86 2HD LYS 32 2HD LYS 32 -3.011 -2.948 8.343 87 1HE LYS 32 1HE LYS 32 -2.543 -2.969 5.671 88 2HE LYS 32 2HE LYS 32 -3.449 -4.477 5.762 89 1HZ LYS 32 3HZ LYS 32 -4.406 -1.873 6.829 90 2HZ LYS 32 1HZ LYS 32 -4.776 -2.395 5.345 91 3HZ LYS 32 2HZ LYS 32 -5.341 -3.228 6.636 92 H CYS 33 H CYS 33 0.264 -1.514 4.780 93 HA CYS 33 HA CYS 33 -0.076 -3.758 3.114 94 1HB CYS 33 1HB CYS 33 -1.040 -1.464 2.922 95 2HB CYS 33 2HB CYS 33 0.559 -0.850 2.469 96 H GLY 34 H GLY 34 2.751 -1.730 3.669 97 1HA GLY 34 2HA GLY 34 4.512 -3.578 2.087 98 2HA GLY 34 1HA GLY 34 4.771 -3.278 3.802 99 H LYS 35 H LYS 35 4.010 -0.264 3.223 100 HA LYS 35 HA LYS 35 5.686 0.807 1.282 101 1HB LYS 35 1HB LYS 35 3.836 1.964 2.512 102 2HB LYS 35 2HB LYS 35 4.895 2.132 3.906 103 1HG LYS 35 1HG LYS 35 4.833 4.222 2.725 104 2HG LYS 35 2HG LYS 35 6.429 3.562 2.524 105 1HD LYS 35 1HD LYS 35 4.935 2.610 0.264 106 2HD LYS 35 2HD LYS 35 4.370 4.240 0.549 107 1HE LYS 35 1HE LYS 35 6.133 4.532 -0.957 108 2HE LYS 35 2HE LYS 35 6.829 4.968 0.604 109 1HZ LYS 35 1HZ LYS 35 7.784 2.677 0.682 110 2HZ LYS 35 2HZ LYS 35 7.212 2.376 -0.835 111 3HZ LYS 35 3HZ LYS 35 8.337 3.533 -0.595 112 H THR 36 H THR 36 6.817 -0.483 4.248 113 HA THR 36 HA THR 36 9.398 0.658 4.544 114 HB THR 36 HB THR 36 10.023 -1.631 5.374 115 HG1 THR 36 HG1 THR 36 8.378 -3.161 5.465 116 1HG2 THR 36 1HG2 THR 36 8.971 0.018 6.897 117 2HG2 THR 36 2HG2 THR 36 7.360 -0.585 6.452 118 3HG2 THR 36 3HG2 THR 36 8.509 -1.641 7.300 119 H GLY 37 H GLY 37 8.169 -1.384 1.954 120 1HA GLY 37 2HA GLY 37 10.281 -2.373 0.572 121 2HA GLY 37 1HA GLY 37 10.548 -0.641 0.376 122 H HIS 38 H HIS 38 7.153 -1.521 0.414 123 HA HIS 38 HA HIS 38 6.965 -2.328 -2.301 124 1HB HIS 38 1HB HIS 38 4.805 -2.716 -1.958 125 2HB HIS 38 2HB HIS 38 5.318 -2.717 -0.297 126 HD1 HIS 38 HD1 HIS 38 4.828 0.860 -1.272 127 HD2 HIS 38 HD2 HIS 38 2.399 -2.456 -0.427 128 HE1 HIS 38 HE1 HIS 38 2.487 1.773 -0.849 129 H VAL 39 H VAL 39 5.635 -1.403 -3.939 130 HA VAL 39 HA VAL 39 5.544 1.575 -4.144 131 HB VAL 39 HB VAL 39 6.193 -0.416 -6.364 132 1HG1 VAL 39 1HG1 VAL 39 5.900 2.620 -6.477 133 2HG1 VAL 39 2HG1 VAL 39 6.578 1.612 -7.770 134 3HG1 VAL 39 3HG1 VAL 39 4.892 1.419 -7.327 135 1HG2 VAL 39 1HG2 VAL 39 7.901 1.764 -5.079 136 2HG2 VAL 39 2HG2 VAL 39 8.156 0.010 -4.934 137 3HG2 VAL 39 3HG2 VAL 39 8.359 0.796 -6.498 138 H MET 40 H MET 40 3.672 2.328 -5.306 139 HA MET 40 HA MET 40 1.294 1.104 -4.510 140 1HB MET 40 1HB MET 40 1.624 3.150 -6.727 141 2HB MET 40 2HB MET 40 0.138 2.785 -5.851 142 1HG MET 40 1HG MET 40 2.657 4.075 -4.770 143 2HG MET 40 2HG MET 40 1.071 4.800 -4.946 144 1HE MET 40 1HE MET 40 -1.014 4.269 -3.389 145 2HE MET 40 2HE MET 40 -0.894 2.515 -3.678 146 3HE MET 40 3HE MET 40 -0.973 3.139 -2.019 147 H ALA 41 H ALA 41 3.069 0.299 -7.375 148 HA ALA 41 HA ALA 41 1.003 -0.885 -8.947 149 1HB ALA 41 1HB ALA 41 3.269 -0.375 -9.771 150 2HB ALA 41 2HB ALA 41 3.959 -1.594 -8.672 151 3HB ALA 41 3HB ALA 41 2.884 -2.091 -9.995 152 H LYS 42 H LYS 42 2.769 -2.136 -6.099 153 HA LYS 42 HA LYS 42 1.557 -4.838 -6.312 154 1HB LYS 42 1HB LYS 42 3.881 -4.373 -5.330 155 2HB LYS 42 2HB LYS 42 3.078 -3.609 -3.962 156 1HG LYS 42 1HG LYS 42 1.730 -5.955 -3.904 157 2HG LYS 42 2HG LYS 42 3.114 -6.503 -4.834 158 1HD LYS 42 1HD LYS 42 3.613 -7.041 -2.601 159 2HD LYS 42 2HD LYS 42 4.586 -5.593 -2.911 160 1HE LYS 42 1HE LYS 42 2.897 -4.198 -1.763 161 2HE LYS 42 2HE LYS 42 1.819 -5.589 -1.610 162 1HZ LYS 42 1HZ LYS 42 4.454 -5.384 -0.262 163 2HZ LYS 42 2HZ LYS 42 2.991 -5.178 0.466 164 3HZ LYS 42 3HZ LYS 42 3.415 -6.636 -0.135 165 H CYS 43 H CYS 43 1.408 -2.111 -4.107 166 HA CYS 43 HA CYS 43 0.141 -2.381 -2.028 167 1HB CYS 43 1HB CYS 43 0.527 -0.264 -3.137 168 2HB CYS 43 2HB CYS 43 -0.958 -0.461 -4.091 169 HA PRO 44 HA PRO 44 -3.578 -5.065 -2.676 170 1HB PRO 44 1HB PRO 44 -2.783 -5.477 0.212 171 2HB PRO 44 2HB PRO 44 -3.482 -6.656 -0.945 172 1HG PRO 44 1HG PRO 44 -0.828 -6.687 -0.423 173 2HG PRO 44 2HG PRO 44 -1.402 -6.842 -2.118 174 1HD PRO 44 1HD PRO 44 -0.330 -4.396 -0.713 175 2HD PRO 44 2HD PRO 44 0.020 -4.995 -2.356 176 H GLU 45 H GLU 45 -2.673 -2.609 -0.251 177 HA GLU 45 HA GLU 45 -5.137 -2.244 1.026 178 1HB GLU 45 1HB GLU 45 -2.998 -1.401 1.801 179 2HB GLU 45 2HB GLU 45 -2.991 -0.192 0.517 180 1HG GLU 45 1HG GLU 45 -3.610 0.797 2.619 181 2HG GLU 45 2HG GLU 45 -4.960 0.892 1.501 182 H ARG 46 H ARG 46 -4.353 -1.327 -2.222 183 HA ARG 46 HA ARG 46 -6.340 0.649 -2.785 184 1HB ARG 46 1HB ARG 46 -5.220 -1.626 -4.470 185 2HB ARG 46 2HB ARG 46 -6.271 -0.360 -5.109 186 1HG ARG 46 1HG ARG 46 -4.659 1.382 -4.529 187 2HG ARG 46 2HG ARG 46 -3.573 0.195 -3.799 188 1HD ARG 46 1HD ARG 46 -4.424 0.199 -6.725 189 2HD ARG 46 2HD ARG 46 -2.903 0.873 -6.105 190 HE ARG 46 HE ARG 46 -2.978 -1.735 -5.135 191 1HH1 ARG 46 1HH1 ARG 46 -2.795 -0.309 -8.338 192 2HH1 ARG 46 2HH1 ARG 46 -1.968 -1.697 -8.995 193 1HH2 ARG 46 2HH2 ARG 46 -1.886 -3.427 -6.027 194 2HH2 ARG 46 1HH2 ARG 46 -1.302 -3.310 -7.659 195 H GLN 47 H GLN 47 -6.825 -2.727 -2.003 196 HA GLN 47 HA GLN 47 -9.773 -2.329 -2.266 197 1HB GLN 47 1HB GLN 47 -8.197 -4.663 -3.426 198 2HB GLN 47 2HB GLN 47 -9.934 -4.714 -3.137 199 1HG GLN 47 1HG GLN 47 -8.574 -2.719 -5.004 200 2HG GLN 47 2HG GLN 47 -9.285 -4.244 -5.499 201 1HE2 GLN 47 1HE2 GLN 47 -10.052 -0.972 -4.338 202 2HE2 GLN 47 2HE2 GLN 47 -11.769 -1.087 -4.740 203 H ALA 48 H ALA 48 -7.619 -5.070 -1.351 204 HA ALA 48 HA ALA 48 -9.157 -5.731 1.019 205 1HB ALA 48 3HB ALA 48 -7.908 -7.388 -0.338 206 2HB ALA 48 2HB ALA 48 -7.353 -7.383 1.343 207 3HB ALA 48 1HB ALA 48 -6.377 -6.587 0.089 208 H GLY 49 H GLY 49 -7.848 -5.985 3.187 209 1HA GLY 49 2HA GLY 49 -5.819 -3.951 3.767 210 2HA GLY 49 1HA GLY 49 -6.521 -5.104 4.904 No H/Q in entry = 210 Start of MODEL 21 1 H1 ARG 23 3H ARG 23 -7.798 -1.323 3.108 2 H2 ARG 23 2H ARG 23 -8.696 -2.627 2.721 3 H3 ARG 23 1H ARG 23 -7.864 -1.824 1.552 4 HA ARG 23 HA ARG 23 -10.126 -1.288 1.318 5 1HB ARG 23 1HB ARG 23 -10.283 -1.645 4.060 6 2HB ARG 23 2HB ARG 23 -10.453 0.088 3.935 7 1HG ARG 23 1HG ARG 23 -12.591 -1.206 3.922 8 2HG ARG 23 2HG ARG 23 -12.410 -0.130 2.542 9 1HD ARG 23 1HD ARG 23 -13.399 -2.438 2.085 10 2HD ARG 23 2HD ARG 23 -12.094 -1.904 1.026 11 HE ARG 23 HE ARG 23 -11.034 -3.470 3.227 12 1HH1 ARG 23 2HH1 ARG 23 -12.734 -3.990 0.180 13 2HH1 ARG 23 1HH1 ARG 23 -11.859 -5.493 -0.078 14 1HH2 ARG 23 1HH2 ARG 23 -10.031 -5.265 2.786 15 2HH2 ARG 23 2HH2 ARG 23 -10.509 -6.283 1.425 16 H ALA 24 H ALA 24 -8.143 0.947 3.381 17 HA ALA 24 HA ALA 24 -7.980 2.820 1.107 18 1HB ALA 24 3HB ALA 24 -9.272 3.542 3.773 19 2HB ALA 24 2HB ALA 24 -10.091 3.425 2.201 20 3HB ALA 24 1HB ALA 24 -8.875 4.685 2.471 21 HA PRO 25 HA PRO 25 -3.991 2.904 3.251 22 1HB PRO 25 1HB PRO 25 -2.535 4.428 1.506 23 2HB PRO 25 2HB PRO 25 -3.035 2.745 1.160 24 1HG PRO 25 1HG PRO 25 -4.405 5.295 0.264 25 2HG PRO 25 2HG PRO 25 -3.943 3.876 -0.730 26 1HD PRO 25 1HD PRO 25 -6.459 4.180 0.250 27 2HD PRO 25 2HD PRO 25 -5.693 2.565 0.158 28 H ARG 26 H ARG 26 -5.850 5.763 2.491 29 HA ARG 26 HA ARG 26 -4.288 7.781 3.708 30 1HB ARG 26 1HB ARG 26 -6.208 9.172 3.501 31 2HB ARG 26 2HB ARG 26 -6.161 8.117 2.111 32 1HG ARG 26 1HG ARG 26 -8.224 7.342 2.526 33 2HG ARG 26 2HG ARG 26 -7.786 6.811 4.142 34 1HD ARG 26 1HD ARG 26 -8.708 9.609 3.363 35 2HD ARG 26 2HD ARG 26 -9.673 8.369 4.183 36 HE ARG 26 HE ARG 26 -7.210 8.997 5.614 37 1HH1 ARG 26 1HH2 ARG 26 -10.476 10.203 5.206 38 2HH1 ARG 26 2HH2 ARG 26 -10.448 11.022 6.745 39 1HH2 ARG 26 2HH1 ARG 26 -7.240 10.027 7.524 40 2HH2 ARG 26 1HH1 ARG 26 -8.646 10.924 8.029 41 H ARG 27 H ARG 27 -5.511 5.269 5.423 42 HA ARG 27 HA ARG 27 -5.630 6.820 7.994 43 1HB ARG 27 1HB ARG 27 -7.200 5.295 8.825 44 2HB ARG 27 2HB ARG 27 -7.713 5.582 7.166 45 1HG ARG 27 1HG ARG 27 -6.315 3.396 6.627 46 2HG ARG 27 2HG ARG 27 -6.396 3.128 8.374 47 1HD ARG 27 1HD ARG 27 -8.952 3.505 8.113 48 2HD ARG 27 2HD ARG 27 -8.689 3.282 6.384 49 HE ARG 27 HE ARG 27 -8.799 1.266 8.439 50 1HH1 ARG 27 1HH2 ARG 27 -7.092 1.788 5.399 51 2HH1 ARG 27 2HH2 ARG 27 -6.938 0.074 5.107 52 1HH2 ARG 27 1HH1 ARG 27 -8.666 -0.870 7.929 53 2HH2 ARG 27 2HH1 ARG 27 -8.009 -1.367 6.392 54 H GLN 28 H GLN 28 -3.476 5.167 6.291 55 HA GLN 28 HA GLN 28 -2.202 3.688 8.566 56 1HB GLN 28 1HB GLN 28 -3.836 2.366 7.069 57 2HB GLN 28 2HB GLN 28 -2.700 2.643 5.751 58 1HG GLN 28 1HG GLN 28 -0.944 1.486 7.341 59 2HG GLN 28 2HG GLN 28 -2.364 0.952 8.248 60 1HE2 GLN 28 2HE2 GLN 28 -4.205 0.145 6.470 61 2HE2 GLN 28 1HE2 GLN 28 -3.568 -0.872 5.192 62 H GLY 29 H GLY 29 -1.808 5.394 5.466 63 1HA GLY 29 2HA GLY 29 1.000 5.910 5.745 64 2HA GLY 29 1HA GLY 29 0.025 6.070 4.277 65 H CYS 30 H CYS 30 -0.797 3.260 4.256 66 HA CYS 30 HA CYS 30 -0.275 1.154 3.790 67 1HB CYS 30 1HB CYS 30 1.852 2.634 2.232 68 2HB CYS 30 2HB CYS 30 1.711 0.879 2.157 69 H TRP 31 H TRP 31 1.191 2.284 6.335 70 HA TRP 31 HA TRP 31 3.695 1.022 6.469 71 1HB TRP 31 1HB TRP 31 2.743 2.809 7.975 72 2HB TRP 31 2HB TRP 31 1.904 1.531 8.854 73 HD1 TRP 31 HD1 TRP 31 3.263 0.525 10.797 74 HE1 TRP 31 HE1 TRP 31 5.726 0.434 11.520 75 HE3 TRP 31 HE3 TRP 31 5.376 2.912 6.784 76 HZ2 TRP 31 HZ2 TRP 31 8.295 1.216 10.450 77 HZ3 TRP 31 HZ3 TRP 31 7.842 3.187 6.641 78 HH2 TRP 31 HH2 TRP 31 9.307 2.345 8.464 79 H LYS 32 H LYS 32 0.588 -0.512 6.938 80 HA LYS 32 HA LYS 32 1.843 -3.094 7.796 81 1HB LYS 32 1HB LYS 32 -0.063 -2.552 9.040 82 2HB LYS 32 2HB LYS 32 -0.997 -2.044 7.669 83 1HG LYS 32 1HG LYS 32 -0.175 -4.933 8.202 84 2HG LYS 32 2HG LYS 32 -1.665 -4.200 8.769 85 1HD LYS 32 1HD LYS 32 -0.944 -4.900 5.916 86 2HD LYS 32 2HD LYS 32 -2.271 -5.480 6.898 87 1HE LYS 32 1HE LYS 32 -3.356 -3.271 6.839 88 2HE LYS 32 2HE LYS 32 -1.985 -2.597 5.952 89 1HZ LYS 32 3HZ LYS 32 -2.484 -4.121 4.130 90 2HZ LYS 32 1HZ LYS 32 -3.789 -4.711 4.933 91 3HZ LYS 32 2HZ LYS 32 -3.749 -3.133 4.436 92 H CYS 33 H CYS 33 0.085 -1.635 5.090 93 HA CYS 33 HA CYS 33 -0.211 -3.779 3.333 94 1HB CYS 33 1HB CYS 33 -1.259 -1.615 3.091 95 2HB CYS 33 2HB CYS 33 0.307 -0.810 2.980 96 H GLY 34 H GLY 34 2.600 -1.575 3.579 97 1HA GLY 34 2HA GLY 34 4.203 -3.208 1.690 98 2HA GLY 34 1HA GLY 34 4.682 -3.286 3.383 99 H LYS 35 H LYS 35 3.885 -0.216 3.513 100 HA LYS 35 HA LYS 35 5.331 1.359 1.770 101 1HB LYS 35 1HB LYS 35 3.762 2.075 3.571 102 2HB LYS 35 2HB LYS 35 5.014 1.763 4.767 103 1HG LYS 35 1HG LYS 35 4.843 4.111 4.373 104 2HG LYS 35 2HG LYS 35 6.395 3.588 3.747 105 1HD LYS 35 1HD LYS 35 5.596 3.664 1.454 106 2HD LYS 35 2HD LYS 35 3.921 3.898 1.971 107 1HE LYS 35 1HE LYS 35 6.187 5.868 2.508 108 2HE LYS 35 2HE LYS 35 5.081 5.972 1.133 109 1HZ LYS 35 3HZ LYS 35 3.232 6.166 2.703 110 2HZ LYS 35 1HZ LYS 35 4.241 6.084 3.980 111 3HZ LYS 35 2HZ LYS 35 4.314 7.362 2.963 112 H THR 36 H THR 36 6.765 -0.602 4.252 113 HA THR 36 HA THR 36 9.361 0.532 4.497 114 HB THR 36 HB THR 36 10.012 -1.795 5.169 115 HG1 THR 36 HG1 THR 36 8.369 -3.331 5.240 116 1HG2 THR 36 3HG2 THR 36 8.996 -0.210 6.814 117 2HG2 THR 36 1HG2 THR 36 7.387 -0.853 6.423 118 3HG2 THR 36 2HG2 THR 36 8.612 -1.904 7.163 119 H GLY 37 H GLY 37 7.984 -1.148 1.743 120 1HA GLY 37 2HA GLY 37 10.274 -2.166 0.472 121 2HA GLY 37 1HA GLY 37 10.304 -0.432 0.169 122 H HIS 38 H HIS 38 7.023 -1.432 0.192 123 HA HIS 38 HA HIS 38 6.873 -2.590 -2.427 124 1HB HIS 38 1HB HIS 38 4.595 -2.722 -2.090 125 2HB HIS 38 2HB HIS 38 5.259 -2.890 -0.485 126 HD1 HIS 38 HD1 HIS 38 5.243 0.755 -1.011 127 HD2 HIS 38 HD2 HIS 38 2.367 -2.252 -0.419 128 HE1 HIS 38 HE1 HIS 38 3.101 1.940 -0.289 129 H VAL 39 H VAL 39 5.193 -1.669 -4.026 130 HA VAL 39 HA VAL 39 5.462 1.259 -4.515 131 HB VAL 39 HB VAL 39 5.826 -0.888 -6.652 132 1HG1 VAL 39 1HG1 VAL 39 6.040 2.154 -6.799 133 2HG1 VAL 39 2HG1 VAL 39 6.522 1.036 -8.090 134 3HG1 VAL 39 3HG1 VAL 39 4.834 1.133 -7.623 135 1HG2 VAL 39 2HG2 VAL 39 7.892 0.982 -5.410 136 2HG2 VAL 39 3HG2 VAL 39 7.863 -0.792 -5.285 137 3HG2 VAL 39 1HG2 VAL 39 8.159 -0.034 -6.845 138 H MET 40 H MET 40 3.667 2.143 -5.649 139 HA MET 40 HA MET 40 1.129 1.247 -4.981 140 1HB MET 40 1HB MET 40 1.878 3.016 -7.342 141 2HB MET 40 2HB MET 40 0.282 2.869 -6.603 142 1HG MET 40 1HG MET 40 1.138 4.829 -5.698 143 2HG MET 40 2HG MET 40 1.331 3.641 -4.413 144 1HE MET 40 1HE MET 40 2.689 6.499 -4.380 145 2HE MET 40 2HE MET 40 2.929 5.286 -3.101 146 3HE MET 40 3HE MET 40 4.330 6.101 -3.829 147 H ALA 41 H ALA 41 2.938 0.377 -7.884 148 HA ALA 41 HA ALA 41 0.895 -0.886 -9.393 149 1HB ALA 41 2HB ALA 41 3.113 -0.222 -10.251 150 2HB ALA 41 3HB ALA 41 3.889 -1.455 -9.229 151 3HB ALA 41 1HB ALA 41 2.804 -1.941 -10.549 152 H LYS 42 H LYS 42 2.355 -1.971 -6.443 153 HA LYS 42 HA LYS 42 1.156 -4.703 -6.762 154 1HB LYS 42 1HB LYS 42 3.646 -4.704 -6.719 155 2HB LYS 42 2HB LYS 42 3.618 -3.830 -5.189 156 1HG LYS 42 1HG LYS 42 4.072 -6.125 -4.707 157 2HG LYS 42 2HG LYS 42 2.469 -5.774 -4.112 158 1HD LYS 42 1HD LYS 42 1.942 -6.750 -6.705 159 2HD LYS 42 2HD LYS 42 3.391 -7.625 -6.245 160 1HE LYS 42 1HE LYS 42 1.687 -9.030 -5.490 161 2HE LYS 42 2HE LYS 42 2.168 -8.171 -4.024 162 1HZ LYS 42 2HZ LYS 42 0.247 -6.622 -4.493 163 2HZ LYS 42 3HZ LYS 42 -0.200 -7.588 -5.729 164 3HZ LYS 42 1HZ LYS 42 -0.230 -8.170 -4.208 165 H CYS 43 H CYS 43 1.562 -1.968 -4.621 166 HA CYS 43 HA CYS 43 0.923 -2.241 -2.220 167 1HB CYS 43 1HB CYS 43 0.861 -0.172 -3.383 168 2HB CYS 43 2HB CYS 43 -0.735 -0.520 -4.063 169 HA PRO 44 HA PRO 44 -2.225 -5.553 -2.081 170 1HB PRO 44 1HB PRO 44 -1.163 -5.464 0.752 171 2HB PRO 44 2HB PRO 44 -1.637 -6.891 -0.228 172 1HG PRO 44 1HG PRO 44 0.967 -6.236 0.002 173 2HG PRO 44 2HG PRO 44 0.306 -6.672 -1.611 174 1HD PRO 44 1HD PRO 44 0.853 -3.935 -0.475 175 2HD PRO 44 2HD PRO 44 1.200 -4.563 -2.103 176 H GLU 45 H GLU 45 -2.154 -2.602 -0.140 177 HA GLU 45 HA GLU 45 -4.379 -2.910 1.486 178 1HB GLU 45 1HB GLU 45 -2.764 -1.025 1.509 179 2HB GLU 45 2HB GLU 45 -3.500 -0.376 0.051 180 1HG GLU 45 1HG GLU 45 -4.155 0.804 2.110 181 2HG GLU 45 2HG GLU 45 -5.538 0.144 1.256 182 H ARG 46 H ARG 46 -4.510 -2.743 -1.933 183 HA ARG 46 HA ARG 46 -7.170 -2.033 -2.576 184 1HB ARG 46 1HB ARG 46 -5.405 -4.329 -3.534 185 2HB ARG 46 2HB ARG 46 -6.931 -3.880 -4.301 186 1HG ARG 46 1HG ARG 46 -6.088 -1.704 -4.929 187 2HG ARG 46 2HG ARG 46 -4.588 -1.944 -4.015 188 1HD ARG 46 1HD ARG 46 -3.932 -3.802 -5.473 189 2HD ARG 46 2HD ARG 46 -5.479 -3.725 -6.317 190 HE ARG 46 HE ARG 46 -4.776 -1.894 -7.542 191 1HH1 ARG 46 1HH2 ARG 46 -2.346 -2.329 -4.998 192 2HH1 ARG 46 2HH2 ARG 46 -1.213 -1.328 -5.896 193 1HH2 ARG 46 2HH1 ARG 46 -3.222 -0.583 -8.485 194 2HH2 ARG 46 1HH1 ARG 46 -1.682 -0.383 -7.670 195 H GLN 47 H GLN 47 -6.034 -5.033 -1.022 196 HA GLN 47 HA GLN 47 -8.823 -5.633 -0.171 197 1HB GLN 47 1HB GLN 47 -7.033 -7.486 -1.786 198 2HB GLN 47 2HB GLN 47 -8.354 -8.103 -0.809 199 1HG GLN 47 1HG GLN 47 -8.736 -6.128 -3.098 200 2HG GLN 47 2HG GLN 47 -8.884 -7.867 -3.215 201 1HE2 GLN 47 2HE2 GLN 47 -11.112 -7.254 -4.021 202 2HE2 GLN 47 1HE2 GLN 47 -12.357 -7.082 -2.792 203 H ALA 48 H ALA 48 -5.402 -5.902 0.552 204 HA ALA 48 HA ALA 48 -5.619 -7.988 2.506 205 1HB ALA 48 2HB ALA 48 -3.413 -5.942 2.021 206 2HB ALA 48 3HB ALA 48 -3.252 -7.495 2.870 207 3HB ALA 48 1HB ALA 48 -3.615 -7.475 1.138 208 H GLY 49 H GLY 49 -7.420 -5.677 3.107 209 1HA GLY 49 2HA GLY 49 -6.399 -4.382 5.566 210 2HA GLY 49 1HA GLY 49 -7.694 -5.572 5.766 No H/Q in entry = 210 Start of MODEL 22 1 H1 ARG 23 2H ARG 23 -8.081 1.125 1.649 2 H2 ARG 23 1H ARG 23 -9.215 -0.015 1.294 3 H3 ARG 23 3H ARG 23 -7.830 0.100 0.411 4 HA ARG 23 HA ARG 23 -9.541 0.971 -0.882 5 1HB ARG 23 1HB ARG 23 -10.962 1.479 1.203 6 2HB ARG 23 2HB ARG 23 -10.140 3.027 1.273 7 1HG ARG 23 1HG ARG 23 -12.391 2.989 0.119 8 2HG ARG 23 2HG ARG 23 -11.093 3.713 -0.824 9 1HD ARG 23 1HD ARG 23 -12.699 2.195 -2.088 10 2HD ARG 23 2HD ARG 23 -10.976 1.896 -2.316 11 HE ARG 23 HE ARG 23 -12.227 0.238 -0.214 12 1HH1 ARG 23 1HH2 ARG 23 -11.495 0.291 -3.658 13 2HH1 ARG 23 2HH2 ARG 23 -11.476 -1.452 -3.725 14 1HH2 ARG 23 1HH1 ARG 23 -12.044 -1.826 -0.357 15 2HH2 ARG 23 2HH1 ARG 23 -11.548 -2.632 -1.842 16 H ALA 24 H ALA 24 -7.326 3.012 1.139 17 HA ALA 24 HA ALA 24 -6.053 3.991 -1.263 18 1HB ALA 24 3HB ALA 24 -7.644 5.952 0.459 19 2HB ALA 24 2HB ALA 24 -7.993 5.518 -1.230 20 3HB ALA 24 1HB ALA 24 -6.510 6.400 -0.834 21 HA PRO 25 HA PRO 25 -2.603 3.872 1.590 22 1HB PRO 25 1HB PRO 25 -1.735 6.320 0.030 23 2HB PRO 25 2HB PRO 25 -0.741 4.940 0.591 24 1HG PRO 25 1HG PRO 25 -1.626 5.003 -1.959 25 2HG PRO 25 2HG PRO 25 -1.743 3.476 -1.025 26 1HD PRO 25 1HD PRO 25 -3.916 5.472 -1.647 27 2HD PRO 25 2HD PRO 25 -3.977 3.683 -1.612 28 H ARG 26 H ARG 26 -4.117 7.033 1.092 29 HA ARG 26 HA ARG 26 -3.219 8.591 3.193 30 1HB ARG 26 1HB ARG 26 -4.709 9.310 1.379 31 2HB ARG 26 2HB ARG 26 -6.012 8.316 2.014 32 1HG ARG 26 1HG ARG 26 -6.441 10.616 2.472 33 2HG ARG 26 2HG ARG 26 -6.209 9.783 3.997 34 1HD ARG 26 1HD ARG 26 -3.967 11.344 2.639 35 2HD ARG 26 2HD ARG 26 -5.184 12.128 3.659 36 HE ARG 26 HE ARG 26 -4.057 9.908 5.074 37 1HH1 ARG 26 2HH1 ARG 26 -3.221 13.199 4.203 38 2HH1 ARG 26 1HH1 ARG 26 -2.171 13.384 5.583 39 1HH2 ARG 26 2HH2 ARG 26 -2.707 10.187 6.761 40 2HH2 ARG 26 1HH2 ARG 26 -1.885 11.704 7.000 41 H ARG 27 H ARG 27 -5.589 5.929 3.525 42 HA ARG 27 HA ARG 27 -6.190 6.720 6.304 43 1HB ARG 27 1HB ARG 27 -7.904 5.145 6.281 44 2HB ARG 27 2HB ARG 27 -7.873 5.817 4.666 45 1HG ARG 27 1HG ARG 27 -8.061 3.646 4.059 46 2HG ARG 27 2HG ARG 27 -6.304 3.651 4.210 47 1HD ARG 27 1HD ARG 27 -6.519 2.743 6.530 48 2HD ARG 27 2HD ARG 27 -8.274 2.762 6.373 49 HE ARG 27 HE ARG 27 -6.352 1.018 4.871 50 1HH1 ARG 27 1HH2 ARG 27 -9.790 1.729 5.343 51 2HH1 ARG 27 2HH2 ARG 27 -10.172 0.386 4.260 52 1HH2 ARG 27 2HH1 ARG 27 -7.004 -0.578 3.738 53 2HH2 ARG 27 1HH1 ARG 27 -8.744 -0.907 3.522 54 H GLN 28 H GLN 28 -3.706 4.863 4.959 55 HA GLN 28 HA GLN 28 -3.316 3.318 7.506 56 1HB GLN 28 1HB GLN 28 -4.184 2.158 5.279 57 2HB GLN 28 2HB GLN 28 -2.502 2.292 4.783 58 1HG GLN 28 1HG GLN 28 -2.140 1.175 7.247 59 2HG GLN 28 2HG GLN 28 -3.778 0.619 6.935 60 1HE2 GLN 28 2HE2 GLN 28 -3.978 -0.446 4.504 61 2HE2 GLN 28 1HE2 GLN 28 -2.645 -1.549 4.216 62 H GLY 29 H GLY 29 -1.772 5.439 5.205 63 1HA GLY 29 2HA GLY 29 0.825 5.540 6.424 64 2HA GLY 29 1HA GLY 29 0.396 6.044 4.781 65 H CYS 30 H CYS 30 -0.613 3.371 4.081 66 HA CYS 30 HA CYS 30 -0.218 1.190 3.795 67 1HB CYS 30 1HB CYS 30 1.957 2.698 2.358 68 2HB CYS 30 2HB CYS 30 1.832 0.939 2.196 69 H TRP 31 H TRP 31 0.828 1.915 6.459 70 HA TRP 31 HA TRP 31 3.416 0.883 6.859 71 1HB TRP 31 1HB TRP 31 1.505 2.214 8.391 72 2HB TRP 31 2HB TRP 31 1.685 0.689 9.232 73 HD1 TRP 31 HD1 TRP 31 4.447 0.049 9.683 74 HE1 TRP 31 HE1 TRP 31 6.326 1.599 10.493 75 HE3 TRP 31 HE3 TRP 31 2.299 4.570 8.573 76 HZ2 TRP 31 HZ2 TRP 31 6.877 4.431 10.547 77 HZ3 TRP 31 HZ3 TRP 31 3.545 6.684 8.992 78 HH2 TRP 31 HH2 TRP 31 5.831 6.625 9.965 79 H LYS 32 H LYS 32 0.519 -0.954 6.539 80 HA LYS 32 HA LYS 32 1.994 -3.470 7.232 81 1HB LYS 32 1HB LYS 32 0.061 -2.973 8.724 82 2HB LYS 32 2HB LYS 32 -0.983 -2.856 7.318 83 1HG LYS 32 1HG LYS 32 -1.466 -4.907 8.265 84 2HG LYS 32 2HG LYS 32 -0.532 -5.317 6.851 85 1HD LYS 32 1HD LYS 32 0.504 -5.215 9.727 86 2HD LYS 32 2HD LYS 32 -0.059 -6.666 8.921 87 1HE LYS 32 1HE LYS 32 2.429 -5.066 8.202 88 2HE LYS 32 2HE LYS 32 2.362 -6.612 9.032 89 1HZ LYS 32 1HZ LYS 32 1.337 -7.560 6.998 90 2HZ LYS 32 2HZ LYS 32 1.561 -6.133 6.212 91 3HZ LYS 32 3HZ LYS 32 2.843 -6.997 6.729 92 H CYS 33 H CYS 33 0.113 -1.769 4.839 93 HA CYS 33 HA CYS 33 -0.210 -3.687 2.795 94 1HB CYS 33 1HB CYS 33 -1.188 -1.422 2.944 95 2HB CYS 33 2HB CYS 33 0.416 -0.708 2.763 96 H GLY 34 H GLY 34 2.605 -1.623 3.573 97 1HA GLY 34 2HA GLY 34 4.352 -3.190 1.701 98 2HA GLY 34 1HA GLY 34 4.680 -3.173 3.430 99 H LYS 35 H LYS 35 3.932 -0.148 3.500 100 HA LYS 35 HA LYS 35 5.419 1.376 1.719 101 1HB LYS 35 1HB LYS 35 3.757 2.134 3.405 102 2HB LYS 35 2HB LYS 35 4.963 2.006 4.667 103 1HG LYS 35 1HG LYS 35 5.617 3.657 2.223 104 2HG LYS 35 2HG LYS 35 4.373 4.290 3.275 105 1HD LYS 35 1HD LYS 35 6.954 3.437 4.592 106 2HD LYS 35 2HD LYS 35 6.976 4.868 3.575 107 1HE LYS 35 1HE LYS 35 6.613 5.511 5.876 108 2HE LYS 35 2HE LYS 35 5.217 5.935 4.881 109 1HZ LYS 35 1HZ LYS 35 5.349 3.523 6.613 110 2HZ LYS 35 2HZ LYS 35 4.617 4.917 7.030 111 3HZ LYS 35 3HZ LYS 35 4.025 4.054 5.777 112 H THR 36 H THR 36 6.807 -0.553 4.215 113 HA THR 36 HA THR 36 9.395 0.611 4.516 114 HB THR 36 HB THR 36 10.068 -1.729 5.122 115 HG1 THR 36 HG1 THR 36 8.438 -3.280 5.158 116 1HG2 THR 36 2HG2 THR 36 9.042 -0.191 6.809 117 2HG2 THR 36 3HG2 THR 36 7.439 -0.846 6.407 118 3HG2 THR 36 1HG2 THR 36 8.681 -1.897 7.119 119 H GLY 37 H GLY 37 8.038 -1.061 1.736 120 1HA GLY 37 2HA GLY 37 10.365 -1.991 0.451 121 2HA GLY 37 1HA GLY 37 10.314 -0.257 0.150 122 H HIS 38 H HIS 38 7.075 -1.324 0.188 123 HA HIS 38 HA HIS 38 6.932 -2.549 -2.396 124 1HB HIS 38 1HB HIS 38 4.643 -2.645 -2.083 125 2HB HIS 38 2HB HIS 38 5.302 -2.808 -0.474 126 HD1 HIS 38 HD1 HIS 38 5.330 0.823 -1.013 127 HD2 HIS 38 HD2 HIS 38 2.394 -2.132 -0.452 128 HE1 HIS 38 HE1 HIS 38 3.210 2.043 -0.291 129 H VAL 39 H VAL 39 5.295 -1.708 -4.036 130 HA VAL 39 HA VAL 39 5.511 1.206 -4.626 131 HB VAL 39 HB VAL 39 5.874 -1.035 -6.666 132 1HG1 VAL 39 2HG1 VAL 39 5.992 2.000 -6.984 133 2HG1 VAL 39 3HG1 VAL 39 6.503 0.830 -8.216 134 3HG1 VAL 39 1HG1 VAL 39 4.816 0.893 -7.740 135 1HG2 VAL 39 1HG2 VAL 39 7.906 0.957 -5.564 136 2HG2 VAL 39 2HG2 VAL 39 7.927 -0.806 -5.336 137 3HG2 VAL 39 3HG2 VAL 39 8.181 -0.134 -6.942 138 H MET 40 H MET 40 3.705 1.998 -5.841 139 HA MET 40 HA MET 40 1.198 1.214 -4.987 140 1HB MET 40 1HB MET 40 1.918 2.789 -7.485 141 2HB MET 40 2HB MET 40 0.311 2.687 -6.760 142 1HG MET 40 1HG MET 40 1.173 4.705 -5.978 143 2HG MET 40 2HG MET 40 1.293 3.599 -4.615 144 1HE MET 40 1HE MET 40 2.687 6.406 -4.619 145 2HE MET 40 2HE MET 40 2.860 5.226 -3.300 146 3HE MET 40 3HE MET 40 4.300 6.003 -3.992 147 H ALA 41 H ALA 41 2.869 -0.098 -7.792 148 HA ALA 41 HA ALA 41 0.637 -1.372 -9.065 149 1HB ALA 41 2HB ALA 41 2.801 -0.926 -10.163 150 2HB ALA 41 3HB ALA 41 3.611 -2.064 -9.060 151 3HB ALA 41 1HB ALA 41 2.402 -2.652 -10.221 152 H LYS 42 H LYS 42 2.623 -2.336 -6.287 153 HA LYS 42 HA LYS 42 1.322 -5.020 -6.105 154 1HB LYS 42 1HB LYS 42 3.719 -4.873 -5.594 155 2HB LYS 42 2HB LYS 42 3.430 -3.663 -4.355 156 1HG LYS 42 1HG LYS 42 1.762 -6.033 -3.864 157 2HG LYS 42 2HG LYS 42 3.436 -6.510 -4.105 158 1HD LYS 42 1HD LYS 42 4.196 -5.037 -2.319 159 2HD LYS 42 2HD LYS 42 2.560 -4.373 -2.108 160 1HE LYS 42 1HE LYS 42 1.723 -6.629 -1.489 161 2HE LYS 42 2HE LYS 42 3.338 -7.300 -1.729 162 1HZ LYS 42 1HZ LYS 42 4.130 -5.882 0.092 163 2HZ LYS 42 2HZ LYS 42 2.627 -5.271 0.348 164 3HZ LYS 42 3HZ LYS 42 2.929 -6.850 0.610 165 H CYS 43 H CYS 43 1.819 -2.269 -3.954 166 HA CYS 43 HA CYS 43 0.601 -2.052 -1.869 167 1HB CYS 43 1HB CYS 43 1.128 -0.186 -3.370 168 2HB CYS 43 2HB CYS 43 -0.463 -0.358 -4.139 169 HA PRO 44 HA PRO 44 -3.232 -4.706 -2.262 170 1HB PRO 44 1HB PRO 44 -2.469 -4.702 0.673 171 2HB PRO 44 2HB PRO 44 -3.267 -5.999 -0.276 172 1HG PRO 44 1HG PRO 44 -0.603 -6.109 0.180 173 2HG PRO 44 2HG PRO 44 -1.241 -6.481 -1.455 174 1HD PRO 44 1HD PRO 44 0.101 -3.971 -0.484 175 2HD PRO 44 2HD PRO 44 0.221 -4.787 -2.064 176 H GLU 45 H GLU 45 -2.493 -2.048 0.040 177 HA GLU 45 HA GLU 45 -5.096 -1.418 0.928 178 1HB GLU 45 1HB GLU 45 -3.054 -0.557 1.909 179 2HB GLU 45 2HB GLU 45 -2.653 0.310 0.430 180 1HG GLU 45 1HG GLU 45 -3.423 1.812 2.181 181 2HG GLU 45 2HG GLU 45 -4.450 1.867 0.752 182 H ARG 46 H ARG 46 -3.712 -0.799 -2.240 183 HA ARG 46 HA ARG 46 -5.426 1.209 -3.293 184 1HB ARG 46 1HB ARG 46 -3.350 0.183 -4.300 185 2HB ARG 46 2HB ARG 46 -4.292 -1.281 -4.605 186 1HG ARG 46 1HG ARG 46 -5.771 0.077 -6.152 187 2HG ARG 46 2HG ARG 46 -4.701 1.456 -5.870 188 1HD ARG 46 1HD ARG 46 -4.093 0.354 -7.953 189 2HD ARG 46 2HD ARG 46 -2.790 0.152 -6.787 190 HE ARG 46 HE ARG 46 -4.773 -1.954 -7.630 191 1HH1 ARG 46 2HH2 ARG 46 -1.555 -1.332 -6.295 192 2HH1 ARG 46 1HH2 ARG 46 -1.416 -3.014 -5.812 193 1HH2 ARG 46 1HH1 ARG 46 -4.352 -4.027 -7.179 194 2HH2 ARG 46 2HH1 ARG 46 -2.804 -4.500 -6.498 195 H GLN 47 H GLN 47 -6.118 -2.201 -2.659 196 HA GLN 47 HA GLN 47 -8.879 -1.883 -3.801 197 1HB GLN 47 1HB GLN 47 -6.834 -4.048 -4.410 198 2HB GLN 47 2HB GLN 47 -8.563 -4.240 -4.720 199 1HG GLN 47 1HG GLN 47 -8.563 -2.283 -6.216 200 2HG GLN 47 2HG GLN 47 -6.841 -2.028 -5.908 201 1HE2 GLN 47 1HE2 GLN 47 -9.118 -4.527 -7.233 202 2HE2 GLN 47 2HE2 GLN 47 -7.920 -5.154 -8.359 203 H ALA 48 H ALA 48 -6.881 -3.511 -1.344 204 HA ALA 48 HA ALA 48 -9.069 -5.121 -0.295 205 1HB ALA 48 2HB ALA 48 -6.424 -4.229 0.944 206 2HB ALA 48 3HB ALA 48 -7.493 -5.506 1.559 207 3HB ALA 48 1HB ALA 48 -6.678 -5.713 -0.003 208 H GLY 49 H GLY 49 -10.397 -4.681 1.408 209 1HA GLY 49 2HA GLY 49 -10.434 -2.963 3.497 210 2HA GLY 49 1HA GLY 49 -11.898 -3.403 2.628 No H/Q in entry = 210 Start of MODEL 23 1 H1 ARG 23 1H ARG 23 -8.815 -0.541 1.034 2 H2 ARG 23 3H ARG 23 -10.217 -1.330 0.700 3 H3 ARG 23 2H ARG 23 -9.097 -1.104 -0.476 4 HA ARG 23 HA ARG 23 -10.712 0.425 -0.988 5 1HB ARG 23 1HB ARG 23 -10.900 0.797 1.986 6 2HB ARG 23 2HB ARG 23 -11.338 2.151 0.930 7 1HG ARG 23 1HG ARG 23 -12.961 0.878 -0.270 8 2HG ARG 23 2HG ARG 23 -12.473 -0.643 0.471 9 1HD ARG 23 1HD ARG 23 -13.645 1.683 2.047 10 2HD ARG 23 2HD ARG 23 -14.608 0.373 1.338 11 HE ARG 23 HE ARG 23 -12.523 -0.796 2.906 12 1HH1 ARG 23 2HH1 ARG 23 -15.578 0.859 3.409 13 2HH1 ARG 23 1HH1 ARG 23 -15.831 0.066 4.941 14 1HH2 ARG 23 1HH2 ARG 23 -12.848 -1.676 4.775 15 2HH2 ARG 23 2HH2 ARG 23 -14.305 -1.376 5.721 16 H ALA 24 H ALA 24 -8.720 2.147 1.513 17 HA ALA 24 HA ALA 24 -7.155 3.341 -0.713 18 1HB ALA 24 3HB ALA 24 -8.806 4.903 1.326 19 2HB ALA 24 2HB ALA 24 -9.162 4.743 -0.410 20 3HB ALA 24 1HB ALA 24 -7.712 5.610 0.119 21 HA PRO 25 HA PRO 25 -3.898 2.947 2.222 22 1HB PRO 25 1HB PRO 25 -1.927 4.477 1.143 23 2HB PRO 25 2HB PRO 25 -2.579 3.022 0.325 24 1HG PRO 25 1HG PRO 25 -3.373 5.916 -0.143 25 2HG PRO 25 2HG PRO 25 -2.885 4.693 -1.362 26 1HD PRO 25 1HD PRO 25 -5.502 5.184 -0.806 27 2HD PRO 25 2HD PRO 25 -4.919 3.528 -1.151 28 H ARG 26 H ARG 26 -5.223 6.168 1.831 29 HA ARG 26 HA ARG 26 -3.523 7.682 3.458 30 1HB ARG 26 1HB ARG 26 -5.209 8.657 1.991 31 2HB ARG 26 2HB ARG 26 -6.515 7.964 2.951 32 1HG ARG 26 1HG ARG 26 -6.276 10.360 3.376 33 2HG ARG 26 2HG ARG 26 -5.987 9.427 4.836 34 1HD ARG 26 1HD ARG 26 -3.466 9.672 4.356 35 2HD ARG 26 2HD ARG 26 -3.911 10.760 3.047 36 HE ARG 26 HE ARG 26 -4.471 12.411 4.594 37 1HH1 ARG 26 2HH2 ARG 26 -3.959 9.431 6.423 38 2HH1 ARG 26 1HH2 ARG 26 -3.875 10.301 7.932 39 1HH2 ARG 26 1HH1 ARG 26 -4.391 13.406 6.570 40 2HH2 ARG 26 2HH1 ARG 26 -4.137 12.470 8.012 41 H ARG 27 H ARG 27 -6.080 5.550 4.561 42 HA ARG 27 HA ARG 27 -6.079 6.370 7.345 43 1HB ARG 27 1HB ARG 27 -7.489 4.478 7.702 44 2HB ARG 27 2HB ARG 27 -7.925 5.152 6.132 45 1HG ARG 27 1HG ARG 27 -6.414 3.367 5.072 46 2HG ARG 27 2HG ARG 27 -6.254 2.653 6.686 47 1HD ARG 27 1HD ARG 27 -8.702 2.379 6.816 48 2HD ARG 27 2HD ARG 27 -8.859 3.072 5.184 49 HE ARG 27 HE ARG 27 -7.005 0.879 5.101 50 1HH1 ARG 27 1HH2 ARG 27 -10.486 1.313 5.565 51 2HH1 ARG 27 2HH2 ARG 27 -10.797 -0.265 4.834 52 1HH2 ARG 27 1HH1 ARG 27 -7.610 -1.072 4.143 53 2HH2 ARG 27 2HH1 ARG 27 -9.329 -1.493 4.183 54 H GLN 28 H GLN 28 -3.755 4.651 5.600 55 HA GLN 28 HA GLN 28 -2.888 2.969 7.916 56 1HB GLN 28 1HB GLN 28 -4.112 2.050 5.787 57 2HB GLN 28 2HB GLN 28 -2.614 2.381 4.941 58 1HG GLN 28 1HG GLN 28 -2.631 0.074 5.533 59 2HG GLN 28 2HG GLN 28 -1.431 0.837 6.573 60 1HE2 GLN 28 1HE2 GLN 28 -4.901 -0.134 6.491 61 2HE2 GLN 28 2HE2 GLN 28 -4.980 -0.521 8.223 62 H GLY 29 H GLY 29 -1.785 5.275 5.520 63 1HA GLY 29 2HA GLY 29 0.925 5.510 6.392 64 2HA GLY 29 1HA GLY 29 0.272 6.009 4.823 65 H CYS 30 H CYS 30 -0.622 3.268 4.174 66 HA CYS 30 HA CYS 30 -0.096 1.197 3.598 67 1HB CYS 30 1HB CYS 30 2.144 2.836 2.421 68 2HB CYS 30 2HB CYS 30 2.093 1.095 2.153 69 H TRP 31 H TRP 31 1.030 1.908 6.425 70 HA TRP 31 HA TRP 31 3.451 0.426 6.668 71 1HB TRP 31 1HB TRP 31 2.466 2.095 8.295 72 2HB TRP 31 2HB TRP 31 1.420 0.804 8.883 73 HD1 TRP 31 HD1 TRP 31 2.440 -0.580 10.804 74 HE1 TRP 31 HE1 TRP 31 4.780 -1.002 11.778 75 HE3 TRP 31 HE3 TRP 31 5.223 2.064 7.407 76 HZ2 TRP 31 HZ2 TRP 31 7.515 -0.333 11.128 77 HZ3 TRP 31 HZ3 TRP 31 7.701 2.127 7.590 78 HH2 TRP 31 HH2 TRP 31 8.854 0.935 9.441 79 H LYS 32 H LYS 32 0.102 -0.719 7.123 80 HA LYS 32 HA LYS 32 0.666 -3.528 7.540 81 1HB LYS 32 1HB LYS 32 -1.522 -2.383 7.965 82 2HB LYS 32 2HB LYS 32 -1.699 -2.116 6.229 83 1HG LYS 32 1HG LYS 32 -1.699 -4.658 5.935 84 2HG LYS 32 2HG LYS 32 -1.693 -4.784 7.695 85 1HD LYS 32 1HD LYS 32 -3.949 -5.061 6.923 86 2HD LYS 32 2HD LYS 32 -3.863 -3.483 7.725 87 1HE LYS 32 1HE LYS 32 -3.688 -2.362 5.526 88 2HE LYS 32 2HE LYS 32 -3.656 -3.926 4.702 89 1HZ LYS 32 2HZ LYS 32 -5.948 -2.952 6.320 90 2HZ LYS 32 3HZ LYS 32 -5.847 -2.829 4.692 91 3HZ LYS 32 1HZ LYS 32 -5.935 -4.304 5.389 92 H CYS 33 H CYS 33 0.389 -1.531 4.714 93 HA CYS 33 HA CYS 33 -0.181 -3.518 2.754 94 1HB CYS 33 1HB CYS 33 -0.856 -1.063 3.004 95 2HB CYS 33 2HB CYS 33 0.791 -0.646 2.503 96 H GLY 34 H GLY 34 2.760 -1.692 3.563 97 1HA GLY 34 2HA GLY 34 4.408 -3.170 1.552 98 2HA GLY 34 1HA GLY 34 4.809 -3.308 3.260 99 H LYS 35 H LYS 35 4.043 -0.303 3.582 100 HA LYS 35 HA LYS 35 5.408 1.456 1.996 101 1HB LYS 35 1HB LYS 35 3.932 1.982 3.912 102 2HB LYS 35 2HB LYS 35 5.198 1.507 5.033 103 1HG LYS 35 1HG LYS 35 5.033 3.893 4.923 104 2HG LYS 35 2HG LYS 35 6.583 3.431 4.239 105 1HD LYS 35 1HD LYS 35 5.776 3.781 1.968 106 2HD LYS 35 2HD LYS 35 4.112 3.991 2.520 107 1HE LYS 35 1HE LYS 35 6.426 5.834 3.260 108 2HE LYS 35 2HE LYS 35 5.313 6.119 1.918 109 1HZ LYS 35 2HZ LYS 35 3.481 6.174 3.520 110 2HZ LYS 35 3HZ LYS 35 4.498 5.927 4.769 111 3HZ LYS 35 1HZ LYS 35 4.593 7.309 3.900 112 H THR 36 H THR 36 7.003 -0.700 4.229 113 HA THR 36 HA THR 36 9.571 0.508 4.447 114 HB THR 36 HB THR 36 10.325 -1.833 4.949 115 HG1 THR 36 HG1 THR 36 8.731 -3.421 5.006 116 1HG2 THR 36 1HG2 THR 36 9.343 -0.374 6.725 117 2HG2 THR 36 2HG2 THR 36 7.736 -1.045 6.370 118 3HG2 THR 36 3HG2 THR 36 9.023 -2.095 6.995 119 H GLY 37 H GLY 37 8.145 -1.055 1.649 120 1HA GLY 37 2HA GLY 37 10.452 -1.920 0.271 121 2HA GLY 37 1HA GLY 37 10.369 -0.178 0.032 122 H HIS 38 H HIS 38 7.148 -1.277 0.117 123 HA HIS 38 HA HIS 38 6.966 -2.432 -2.498 124 1HB HIS 38 1HB HIS 38 4.721 -2.655 -2.102 125 2HB HIS 38 2HB HIS 38 5.407 -2.763 -0.507 126 HD1 HIS 38 HD1 HIS 38 5.309 0.839 -0.925 127 HD2 HIS 38 HD2 HIS 38 2.417 -2.197 -0.616 128 HE1 HIS 38 HE1 HIS 38 3.125 1.988 -0.290 129 H VAL 39 H VAL 39 5.237 -1.567 -4.050 130 HA VAL 39 HA VAL 39 5.437 1.355 -4.608 131 HB VAL 39 HB VAL 39 5.748 -0.861 -6.685 132 1HG1 VAL 39 2HG1 VAL 39 5.885 2.177 -6.965 133 2HG1 VAL 39 3HG1 VAL 39 6.381 1.022 -8.218 134 3HG1 VAL 39 1HG1 VAL 39 4.701 1.083 -7.730 135 1HG2 VAL 39 3HG2 VAL 39 7.821 1.095 -5.594 136 2HG2 VAL 39 1HG2 VAL 39 7.830 -0.672 -5.396 137 3HG2 VAL 39 2HG2 VAL 39 8.059 0.024 -6.994 138 H MET 40 H MET 40 3.576 2.098 -5.942 139 HA MET 40 HA MET 40 1.116 1.225 -4.932 140 1HB MET 40 1HB MET 40 1.581 2.792 -7.489 141 2HB MET 40 2HB MET 40 0.073 2.697 -6.579 142 1HG MET 40 1HG MET 40 2.673 4.003 -5.739 143 2HG MET 40 2HG MET 40 1.127 4.774 -6.040 144 1HE MET 40 1HE MET 40 -1.007 4.532 -4.408 145 2HE MET 40 2HE MET 40 -0.891 2.755 -4.357 146 3HE MET 40 3HE MET 40 -0.960 3.681 -2.848 147 H ALA 41 H ALA 41 2.764 -0.134 -7.698 148 HA ALA 41 HA ALA 41 0.519 -1.561 -8.829 149 1HB ALA 41 2HB ALA 41 2.604 -1.091 -10.060 150 2HB ALA 41 3HB ALA 41 3.522 -2.108 -8.923 151 3HB ALA 41 1HB ALA 41 2.291 -2.834 -9.979 152 H LYS 42 H LYS 42 2.773 -2.277 -6.176 153 HA LYS 42 HA LYS 42 1.872 -5.060 -5.777 154 1HB LYS 42 1HB LYS 42 4.203 -4.176 -5.414 155 2HB LYS 42 2HB LYS 42 3.618 -3.230 -4.063 156 1HG LYS 42 1HG LYS 42 3.600 -6.275 -4.233 157 2HG LYS 42 2HG LYS 42 4.838 -5.285 -3.464 158 1HD LYS 42 1HD LYS 42 2.875 -4.348 -1.997 159 2HD LYS 42 2HD LYS 42 2.018 -5.813 -2.550 160 1HE LYS 42 1HE LYS 42 3.907 -7.199 -1.704 161 2HE LYS 42 2HE LYS 42 4.718 -5.737 -1.135 162 1HZ LYS 42 3HZ LYS 42 2.770 -5.357 0.364 163 2HZ LYS 42 1HZ LYS 42 2.116 -6.775 -0.143 164 3HZ LYS 42 2HZ LYS 42 3.520 -6.774 0.672 165 H CYS 43 H CYS 43 1.639 -1.998 -4.070 166 HA CYS 43 HA CYS 43 0.551 -2.034 -1.811 167 1HB CYS 43 1HB CYS 43 0.850 -0.144 -3.343 168 2HB CYS 43 2HB CYS 43 -0.725 -0.489 -4.076 169 HA PRO 44 HA PRO 44 -3.008 -4.958 -2.169 170 1HB PRO 44 1HB PRO 44 -2.272 -5.301 0.736 171 2HB PRO 44 2HB PRO 44 -2.801 -6.535 -0.452 172 1HG PRO 44 1HG PRO 44 -0.189 -6.312 0.174 173 2HG PRO 44 2HG PRO 44 -0.663 -6.480 -1.554 174 1HD PRO 44 1HD PRO 44 -0.017 -3.963 -0.016 175 2HD PRO 44 2HD PRO 44 0.606 -4.457 -1.599 176 H GLU 45 H GLU 45 -2.500 -2.271 0.137 177 HA GLU 45 HA GLU 45 -5.020 -2.412 1.425 178 1HB GLU 45 1HB GLU 45 -3.067 -1.223 2.286 179 2HB GLU 45 2HB GLU 45 -3.194 -0.037 0.987 180 1HG GLU 45 1HG GLU 45 -3.963 0.913 3.026 181 2HG GLU 45 2HG GLU 45 -5.330 0.773 1.937 182 H ARG 46 H ARG 46 -4.465 -1.462 -1.804 183 HA ARG 46 HA ARG 46 -6.829 0.027 -2.470 184 1HB ARG 46 1HB ARG 46 -5.597 -2.364 -3.871 185 2HB ARG 46 2HB ARG 46 -6.718 -1.219 -4.611 186 1HG ARG 46 1HG ARG 46 -5.047 0.585 -4.437 187 2HG ARG 46 2HG ARG 46 -3.913 -0.503 -3.648 188 1HD ARG 46 1HD ARG 46 -4.926 -0.615 -6.506 189 2HD ARG 46 2HD ARG 46 -3.268 -0.375 -5.953 190 HE ARG 46 HE ARG 46 -4.802 -2.950 -5.607 191 1HH1 ARG 46 2HH1 ARG 46 -1.662 -1.511 -6.432 192 2HH1 ARG 46 1HH1 ARG 46 -1.021 -3.108 -6.734 193 1HH2 ARG 46 1HH2 ARG 46 -3.825 -4.791 -5.767 194 2HH2 ARG 46 2HH2 ARG 46 -2.117 -4.898 -6.170 195 H GLN 47 H GLN 47 -6.377 -3.353 -1.604 196 HA GLN 47 HA GLN 47 -9.273 -4.022 -2.018 197 1HB GLN 47 1HB GLN 47 -6.693 -5.544 -2.560 198 2HB GLN 47 2HB GLN 47 -8.295 -6.258 -2.713 199 1HG GLN 47 1HG GLN 47 -8.811 -5.103 -4.657 200 2HG GLN 47 2HG GLN 47 -7.759 -3.744 -4.297 201 1HE2 GLN 47 2HE2 GLN 47 -7.761 -7.094 -5.549 202 2HE2 GLN 47 1HE2 GLN 47 -6.161 -6.954 -6.263 203 H ALA 48 H ALA 48 -6.520 -4.361 0.157 204 HA ALA 48 HA ALA 48 -7.449 -6.590 1.668 205 1HB ALA 48 2HB ALA 48 -5.345 -4.484 2.327 206 2HB ALA 48 3HB ALA 48 -5.481 -6.105 3.042 207 3HB ALA 48 1HB ALA 48 -5.083 -5.935 1.329 208 H GLY 49 H GLY 49 -9.485 -4.474 1.630 209 1HA GLY 49 2HA GLY 49 -9.841 -3.784 4.528 210 2HA GLY 49 1HA GLY 49 -11.049 -4.706 3.633 No H/Q in entry = 210 Start of MODEL 24 1 H1 ARG 23 2H ARG 23 -7.658 0.441 3.101 2 H2 ARG 23 1H ARG 23 -8.878 -0.662 2.857 3 H3 ARG 23 3H ARG 23 -7.455 -0.810 2.085 4 HA ARG 23 HA ARG 23 -9.009 -0.043 0.550 5 1HB ARG 23 1HB ARG 23 -10.273 1.223 2.634 6 2HB ARG 23 2HB ARG 23 -9.503 2.588 1.833 7 1HG ARG 23 1HG ARG 23 -11.528 2.455 0.699 8 2HG ARG 23 2HG ARG 23 -10.489 1.538 -0.382 9 1HD ARG 23 1HD ARG 23 -12.543 0.512 1.614 10 2HD ARG 23 2HD ARG 23 -12.592 0.351 -0.136 11 HE ARG 23 HE ARG 23 -11.131 -1.316 1.805 12 1HH1 ARG 23 1HH1 ARG 23 -11.338 -0.659 -1.663 13 2HH1 ARG 23 2HH1 ARG 23 -10.325 -2.049 -2.003 14 1HH2 ARG 23 2HH2 ARG 23 -9.950 -2.934 1.278 15 2HH2 ARG 23 1HH2 ARG 23 -9.652 -3.352 -0.424 16 H ALA 24 H ALA 24 -6.768 2.307 2.218 17 HA ALA 24 HA ALA 24 -5.357 2.736 -0.289 18 1HB ALA 24 2HB ALA 24 -7.172 4.918 0.868 19 2HB ALA 24 1HB ALA 24 -7.403 4.086 -0.685 20 3HB ALA 24 3HB ALA 24 -6.017 5.156 -0.457 21 HA PRO 25 HA PRO 25 -2.037 4.106 2.409 22 1HB PRO 25 1HB PRO 25 -1.785 6.530 0.640 23 2HB PRO 25 2HB PRO 25 -0.514 5.403 1.197 24 1HG PRO 25 1HG PRO 25 -1.548 5.300 -1.337 25 2HG PRO 25 2HG PRO 25 -1.088 3.816 -0.460 26 1HD PRO 25 1HD PRO 25 -3.813 4.948 -0.949 27 2HD PRO 25 2HD PRO 25 -3.289 3.242 -0.829 28 H ARG 26 H ARG 26 -4.374 6.562 1.413 29 HA ARG 26 HA ARG 26 -4.069 8.615 3.237 30 1HB ARG 26 1HB ARG 26 -5.537 8.681 1.296 31 2HB ARG 26 2HB ARG 26 -6.570 7.424 1.968 32 1HG ARG 26 1HG ARG 26 -7.638 9.604 2.108 33 2HG ARG 26 2HG ARG 26 -7.378 8.932 3.708 34 1HD ARG 26 1HD ARG 26 -5.274 10.412 3.863 35 2HD ARG 26 2HD ARG 26 -5.774 11.132 2.337 36 HE ARG 26 HE ARG 26 -7.477 12.289 3.423 37 1HH1 ARG 26 2HH1 ARG 26 -6.223 9.931 5.730 38 2HH1 ARG 26 1HH1 ARG 26 -7.043 10.701 7.062 39 1HH2 ARG 26 2HH2 ARG 26 -8.514 13.162 5.175 40 2HH2 ARG 26 1HH2 ARG 26 -8.316 12.454 6.752 41 H ARG 27 H ARG 27 -5.378 5.469 4.061 42 HA ARG 27 HA ARG 27 -6.148 6.513 6.778 43 1HB ARG 27 1HB ARG 27 -7.953 5.017 6.847 44 2HB ARG 27 2HB ARG 27 -8.004 5.749 5.258 45 1HG ARG 27 1HG ARG 27 -8.105 3.678 4.369 46 2HG ARG 27 2HG ARG 27 -6.435 3.428 4.868 47 1HD ARG 27 1HD ARG 27 -7.430 2.726 7.172 48 2HD ARG 27 2HD ARG 27 -8.980 2.660 6.326 49 HE ARG 27 HE ARG 27 -6.658 1.170 5.178 50 1HH1 ARG 27 1HH1 ARG 27 -9.858 0.829 6.691 51 2HH1 ARG 27 2HH1 ARG 27 -9.883 -0.865 6.195 52 1HH2 ARG 27 2HH2 ARG 27 -6.779 -1.013 4.930 53 2HH2 ARG 27 1HH2 ARG 27 -8.315 -1.811 5.342 54 H GLN 28 H GLN 28 -3.638 4.928 5.494 55 HA GLN 28 HA GLN 28 -3.199 3.261 7.934 56 1HB GLN 28 1HB GLN 28 -4.278 2.130 5.678 57 2HB GLN 28 2HB GLN 28 -2.579 2.040 5.264 58 1HG GLN 28 1HG GLN 28 -2.816 0.027 6.311 59 2HG GLN 28 2HG GLN 28 -2.376 0.979 7.726 60 1HE2 GLN 28 2HE2 GLN 28 -4.985 2.255 8.303 61 2HE2 GLN 28 1HE2 GLN 28 -6.032 0.915 8.724 62 H GLY 29 H GLY 29 -1.801 5.393 5.634 63 1HA GLY 29 2HA GLY 29 0.859 5.380 6.633 64 2HA GLY 29 1HA GLY 29 0.324 5.982 5.058 65 H CYS 30 H CYS 30 -0.714 3.243 4.385 66 HA CYS 30 HA CYS 30 -0.269 1.107 3.999 67 1HB CYS 30 1HB CYS 30 1.711 2.689 2.374 68 2HB CYS 30 2HB CYS 30 1.657 0.922 2.233 69 H TRP 31 H TRP 31 1.227 1.924 6.567 70 HA TRP 31 HA TRP 31 3.731 0.560 6.502 71 1HB TRP 31 1HB TRP 31 2.875 2.258 8.198 72 2HB TRP 31 2HB TRP 31 2.037 0.923 8.987 73 HD1 TRP 31 HD1 TRP 31 3.479 -0.505 10.617 74 HE1 TRP 31 HE1 TRP 31 5.956 -0.606 11.290 75 HE3 TRP 31 HE3 TRP 31 5.408 2.663 7.083 76 HZ2 TRP 31 HZ2 TRP 31 8.459 0.534 10.402 77 HZ3 TRP 31 HZ3 TRP 31 7.853 3.135 7.019 78 HH2 TRP 31 HH2 TRP 31 9.380 2.081 8.669 79 H LYS 32 H LYS 32 0.521 -0.658 7.356 80 HA LYS 32 HA LYS 32 1.214 -3.425 7.896 81 1HB LYS 32 1HB LYS 32 -0.932 -2.331 8.531 82 2HB LYS 32 2HB LYS 32 -1.307 -2.077 6.833 83 1HG LYS 32 1HG LYS 32 -1.209 -4.707 6.635 84 2HG LYS 32 2HG LYS 32 -1.232 -4.679 8.400 85 1HD LYS 32 1HD LYS 32 -3.503 -4.948 7.689 86 2HD LYS 32 2HD LYS 32 -3.360 -3.267 8.228 87 1HE LYS 32 1HE LYS 32 -2.918 -2.659 5.766 88 2HE LYS 32 2HE LYS 32 -3.341 -4.320 5.352 89 1HZ LYS 32 1HZ LYS 32 -5.114 -2.422 6.792 90 2HZ LYS 32 2HZ LYS 32 -5.177 -2.668 5.192 91 3HZ LYS 32 3HZ LYS 32 -5.572 -3.905 6.209 92 H CYS 33 H CYS 33 0.223 -1.690 5.003 93 HA CYS 33 HA CYS 33 -0.142 -3.850 3.214 94 1HB CYS 33 1HB CYS 33 -1.296 -1.862 2.893 95 2HB CYS 33 2HB CYS 33 0.130 -0.845 3.128 96 H GLY 34 H GLY 34 2.648 -1.642 3.596 97 1HA GLY 34 2HA GLY 34 4.303 -3.229 1.702 98 2HA GLY 34 1HA GLY 34 4.752 -3.286 3.403 99 H LYS 35 H LYS 35 3.889 -0.226 3.491 100 HA LYS 35 HA LYS 35 5.419 1.286 1.721 101 1HB LYS 35 1HB LYS 35 3.656 2.095 3.203 102 2HB LYS 35 2HB LYS 35 4.699 1.957 4.608 103 1HG LYS 35 1HG LYS 35 5.670 3.603 2.272 104 2HG LYS 35 2HG LYS 35 4.307 4.240 3.170 105 1HD LYS 35 1HD LYS 35 5.472 4.492 5.163 106 2HD LYS 35 2HD LYS 35 6.748 3.352 4.737 107 1HE LYS 35 1HE LYS 35 6.327 5.942 3.203 108 2HE LYS 35 2HE LYS 35 7.301 5.887 4.677 109 1HZ LYS 35 2HZ LYS 35 7.854 4.125 2.352 110 2HZ LYS 35 3HZ LYS 35 8.607 5.568 2.585 111 3HZ LYS 35 1HZ LYS 35 8.795 4.348 3.653 112 H THR 36 H THR 36 6.757 -0.621 4.224 113 HA THR 36 HA THR 36 9.315 0.590 4.615 114 HB THR 36 HB THR 36 10.029 -1.762 5.120 115 HG1 THR 36 HG1 THR 36 8.427 -3.341 5.077 116 1HG2 THR 36 3HG2 THR 36 8.980 -0.331 6.871 117 2HG2 THR 36 1HG2 THR 36 7.381 -0.965 6.424 118 3HG2 THR 36 2HG2 THR 36 8.618 -2.050 7.093 119 H GLY 37 H GLY 37 8.011 -1.042 1.770 120 1HA GLY 37 2HA GLY 37 10.399 -1.773 0.448 121 2HA GLY 37 1HA GLY 37 10.201 -0.043 0.187 122 H HIS 38 H HIS 38 7.044 -1.186 0.194 123 HA HIS 38 HA HIS 38 6.904 -2.544 -2.306 124 1HB HIS 38 1HB HIS 38 4.591 -2.560 -2.002 125 2HB HIS 38 2HB HIS 38 5.269 -2.678 -0.402 126 HD1 HIS 38 HD1 HIS 38 5.397 0.941 -1.102 127 HD2 HIS 38 HD2 HIS 38 2.418 -1.918 -0.348 128 HE1 HIS 38 HE1 HIS 38 3.325 2.244 -0.381 129 H VAL 39 H VAL 39 5.189 -1.789 -3.969 130 HA VAL 39 HA VAL 39 5.562 1.035 -4.845 131 HB VAL 39 HB VAL 39 5.768 -1.376 -6.702 132 1HG1 VAL 39 3HG1 VAL 39 6.297 1.596 -7.177 133 2HG1 VAL 39 1HG1 VAL 39 6.612 0.295 -8.343 134 3HG1 VAL 39 2HG1 VAL 39 4.960 0.646 -7.868 135 1HG2 VAL 39 3HG2 VAL 39 8.004 0.413 -5.652 136 2HG2 VAL 39 1HG2 VAL 39 7.813 -1.329 -5.352 137 3HG2 VAL 39 2HG2 VAL 39 8.167 -0.760 -6.978 138 H MET 40 H MET 40 3.790 1.859 -6.031 139 HA MET 40 HA MET 40 1.192 0.913 -5.392 140 1HB MET 40 1HB MET 40 2.054 2.851 -7.566 141 2HB MET 40 2HB MET 40 0.399 2.631 -6.985 142 1HG MET 40 1HG MET 40 2.751 3.608 -5.321 143 2HG MET 40 2HG MET 40 1.451 4.598 -5.971 144 1HE MET 40 1HE MET 40 2.523 4.437 -2.892 145 2HE MET 40 2HE MET 40 1.293 5.601 -3.439 146 3HE MET 40 3HE MET 40 0.984 4.579 -2.017 147 H ALA 41 H ALA 41 3.242 -0.175 -7.938 148 HA ALA 41 HA ALA 41 1.348 -1.381 -9.689 149 1HB ALA 41 1HB ALA 41 3.751 -1.085 -10.181 150 2HB ALA 41 2HB ALA 41 4.167 -2.243 -8.894 151 3HB ALA 41 3HB ALA 41 3.271 -2.785 -10.331 152 H LYS 42 H LYS 42 2.134 -2.206 -6.392 153 HA LYS 42 HA LYS 42 0.393 -4.630 -6.617 154 1HB LYS 42 1HB LYS 42 2.765 -5.314 -6.481 155 2HB LYS 42 2HB LYS 42 2.953 -4.381 -5.005 156 1HG LYS 42 1HG LYS 42 2.793 -6.633 -4.382 157 2HG LYS 42 2HG LYS 42 1.296 -5.903 -3.863 158 1HD LYS 42 1HD LYS 42 1.618 -7.531 -6.426 159 2HD LYS 42 2HD LYS 42 1.222 -8.245 -4.878 160 1HE LYS 42 1HE LYS 42 -0.538 -6.332 -6.463 161 2HE LYS 42 2HE LYS 42 -0.749 -8.064 -6.255 162 1HZ LYS 42 3HZ LYS 42 -0.962 -7.594 -3.805 163 2HZ LYS 42 1HZ LYS 42 -1.047 -5.983 -4.180 164 3HZ LYS 42 2HZ LYS 42 -2.189 -7.008 -4.703 165 H CYS 43 H CYS 43 1.616 -2.138 -4.359 166 HA CYS 43 HA CYS 43 0.855 -1.925 -2.104 167 1HB CYS 43 1HB CYS 43 0.831 0.017 -3.516 168 2HB CYS 43 2HB CYS 43 -0.846 -0.300 -3.995 169 HA PRO 44 HA PRO 44 -2.483 -5.077 -1.649 170 1HB PRO 44 1HB PRO 44 -1.068 -5.040 1.026 171 2HB PRO 44 2HB PRO 44 -1.807 -6.430 0.165 172 1HG PRO 44 1HG PRO 44 0.856 -6.035 0.014 173 2HG PRO 44 2HG PRO 44 -0.060 -6.426 -1.479 174 1HD PRO 44 1HD PRO 44 0.918 -3.745 -0.514 175 2HD PRO 44 2HD PRO 44 0.946 -4.422 -2.154 176 H GLU 45 H GLU 45 -2.025 -2.097 0.257 177 HA GLU 45 HA GLU 45 -4.147 -2.318 2.056 178 1HB GLU 45 1HB GLU 45 -2.493 -0.206 1.114 179 2HB GLU 45 2HB GLU 45 -4.124 0.366 0.872 180 1HG GLU 45 1HG GLU 45 -2.870 -0.535 3.495 181 2HG GLU 45 2HG GLU 45 -3.305 1.100 3.023 182 H ARG 46 H ARG 46 -4.384 -1.780 -1.401 183 HA ARG 46 HA ARG 46 -7.187 -1.028 -1.533 184 1HB ARG 46 1HB ARG 46 -5.315 -2.279 -3.572 185 2HB ARG 46 2HB ARG 46 -6.910 -1.616 -3.947 186 1HG ARG 46 1HG ARG 46 -6.259 0.620 -3.289 187 2HG ARG 46 2HG ARG 46 -4.702 0.072 -2.665 188 1HD ARG 46 1HD ARG 46 -5.553 -0.061 -5.577 189 2HD ARG 46 2HD ARG 46 -4.489 1.157 -4.846 190 HE ARG 46 HE ARG 46 -3.492 -1.487 -4.289 191 1HH1 ARG 46 1HH2 ARG 46 -3.384 1.008 -6.769 192 2HH1 ARG 46 2HH2 ARG 46 -1.926 0.316 -7.453 193 1HH2 ARG 46 2HH1 ARG 46 -1.858 -2.418 -5.434 194 2HH2 ARG 46 1HH1 ARG 46 -1.114 -1.490 -6.738 195 H GLN 47 H GLN 47 -5.698 -4.050 -0.927 196 HA GLN 47 HA GLN 47 -8.205 -5.586 -1.524 197 1HB GLN 47 1HB GLN 47 -5.316 -6.524 -1.282 198 2HB GLN 47 2HB GLN 47 -6.714 -7.540 -1.640 199 1HG GLN 47 1HG GLN 47 -7.090 -6.291 -3.756 200 2HG GLN 47 2HG GLN 47 -5.690 -5.270 -3.412 201 1HE2 GLN 47 1HE2 GLN 47 -6.661 -8.644 -4.182 202 2HE2 GLN 47 2HE2 GLN 47 -5.062 -9.101 -4.751 203 H ALA 48 H ALA 48 -5.804 -4.827 0.960 204 HA ALA 48 HA ALA 48 -6.679 -6.749 2.903 205 1HB ALA 48 2HB ALA 48 -4.873 -4.308 3.153 206 2HB ALA 48 3HB ALA 48 -4.963 -5.689 4.278 207 3HB ALA 48 1HB ALA 48 -4.361 -5.930 2.633 208 H GLY 49 H GLY 49 -9.000 -5.552 2.294 209 1HA GLY 49 2HA GLY 49 -10.184 -4.920 4.767 210 2HA GLY 49 1HA GLY 49 -10.936 -4.657 3.195 No H/Q in entry = 210 Start of MODEL 25 1 H1 ARG 23 2H ARG 23 -7.657 -1.002 0.450 2 H2 ARG 23 1H ARG 23 -7.308 -0.558 1.999 3 H3 ARG 23 3H ARG 23 -8.283 -1.854 1.706 4 HA ARG 23 HA ARG 23 -9.909 -0.453 0.640 5 1HB ARG 23 1HB ARG 23 -9.922 -1.045 3.105 6 2HB ARG 23 2HB ARG 23 -9.390 0.600 3.444 7 1HG ARG 23 1HG ARG 23 -11.403 1.529 2.439 8 2HG ARG 23 2HG ARG 23 -11.858 -0.032 1.749 9 1HD ARG 23 1HD ARG 23 -11.790 0.660 4.711 10 2HD ARG 23 2HD ARG 23 -13.238 0.481 3.699 11 HE ARG 23 HE ARG 23 -11.772 -1.926 3.467 12 1HH1 ARG 23 2HH2 ARG 23 -13.774 -0.361 5.869 13 2HH1 ARG 23 1HH2 ARG 23 -13.931 -1.826 6.805 14 1HH2 ARG 23 1HH1 ARG 23 -11.713 -3.582 4.836 15 2HH2 ARG 23 2HH1 ARG 23 -12.856 -3.676 6.165 16 H ALA 24 H ALA 24 -7.433 1.595 2.291 17 HA ALA 24 HA ALA 24 -7.180 3.310 0.025 18 1HB ALA 24 1HB ALA 24 -8.590 4.467 2.486 19 2HB ALA 24 3HB ALA 24 -9.288 4.306 0.859 20 3HB ALA 24 2HB ALA 24 -7.942 5.421 1.132 21 HA PRO 25 HA PRO 25 -3.184 3.519 2.179 22 1HB PRO 25 1HB PRO 25 -3.121 6.212 0.789 23 2HB PRO 25 2HB PRO 25 -1.798 5.023 0.990 24 1HG PRO 25 1HG PRO 25 -3.158 5.123 -1.340 25 2HG PRO 25 2HG PRO 25 -2.812 3.528 -0.593 26 1HD PRO 25 1HD PRO 25 -5.387 5.111 -0.544 27 2HD PRO 25 2HD PRO 25 -5.135 3.353 -0.773 28 H ARG 26 H ARG 26 -5.363 6.324 2.253 29 HA ARG 26 HA ARG 26 -4.471 7.792 4.440 30 1HB ARG 26 1HB ARG 26 -6.264 8.421 2.870 31 2HB ARG 26 2HB ARG 26 -7.305 7.162 3.518 32 1HG ARG 26 1HG ARG 26 -8.031 9.297 4.294 33 2HG ARG 26 2HG ARG 26 -7.470 8.375 5.675 34 1HD ARG 26 1HD ARG 26 -5.727 10.432 4.248 35 2HD ARG 26 2HD ARG 26 -6.874 10.873 5.523 36 HE ARG 26 HE ARG 26 -5.258 8.765 6.521 37 1HH1 ARG 26 2HH2 ARG 26 -4.897 12.168 5.752 38 2HH1 ARG 26 1HH2 ARG 26 -3.616 12.382 6.913 39 1HH2 ARG 26 1HH1 ARG 26 -3.628 9.091 7.943 40 2HH2 ARG 26 2HH1 ARG 26 -2.913 10.669 8.128 41 H ARG 27 H ARG 27 -6.250 4.701 4.641 42 HA ARG 27 HA ARG 27 -6.819 5.091 7.506 43 1HB ARG 27 1HB ARG 27 -8.172 3.188 7.383 44 2HB ARG 27 2HB ARG 27 -8.398 4.022 5.862 45 1HG ARG 27 1HG ARG 27 -8.017 2.061 4.835 46 2HG ARG 27 2HG ARG 27 -6.320 2.222 5.280 47 1HD ARG 27 1HD ARG 27 -6.833 1.020 7.440 48 2HD ARG 27 2HD ARG 27 -8.478 0.758 6.849 49 HE ARG 27 HE ARG 27 -5.997 -0.216 5.427 50 1HH1 ARG 27 1HH2 ARG 27 -9.358 -0.999 6.260 51 2HH1 ARG 27 2HH2 ARG 27 -9.287 -2.393 5.180 52 1HH2 ARG 27 2HH1 ARG 27 -6.027 -1.875 4.312 53 2HH2 ARG 27 1HH1 ARG 27 -7.499 -2.829 4.038 54 H GLN 28 H GLN 28 -4.123 3.916 5.888 55 HA GLN 28 HA GLN 28 -3.164 2.380 8.274 56 1HB GLN 28 1HB GLN 28 -4.288 0.910 6.625 57 2HB GLN 28 2HB GLN 28 -3.213 1.489 5.360 58 1HG GLN 28 1HG GLN 28 -2.621 -0.752 6.138 59 2HG GLN 28 2HG GLN 28 -1.307 0.372 6.404 60 1HE2 GLN 28 2HE2 GLN 28 -0.896 1.085 8.662 61 2HE2 GLN 28 1HE2 GLN 28 -1.436 0.042 9.978 62 H GLY 29 H GLY 29 -2.389 4.734 5.902 63 1HA GLY 29 2HA GLY 29 0.317 5.170 6.710 64 2HA GLY 29 1HA GLY 29 -0.484 5.793 5.259 65 H CYS 30 H CYS 30 -1.076 2.985 4.344 66 HA CYS 30 HA CYS 30 -0.297 1.122 3.418 67 1HB CYS 30 1HB CYS 30 1.933 3.017 2.610 68 2HB CYS 30 2HB CYS 30 1.865 1.349 2.063 69 H TRP 31 H TRP 31 1.002 1.923 6.310 70 HA TRP 31 HA TRP 31 3.557 0.789 6.336 71 1HB TRP 31 1HB TRP 31 2.544 2.234 8.089 72 2HB TRP 31 2HB TRP 31 1.611 0.854 8.664 73 HD1 TRP 31 HD1 TRP 31 2.763 -0.573 10.468 74 HE1 TRP 31 HE1 TRP 31 5.137 -0.836 11.413 75 HE3 TRP 31 HE3 TRP 31 5.266 2.493 7.226 76 HZ2 TRP 31 HZ2 TRP 31 7.795 0.129 10.807 77 HZ3 TRP 31 HZ3 TRP 31 7.729 2.788 7.412 78 HH2 TRP 31 HH2 TRP 31 8.999 1.615 9.197 79 H LYS 32 H LYS 32 0.534 -0.895 7.168 80 HA LYS 32 HA LYS 32 1.732 -3.520 7.533 81 1HB LYS 32 1HB LYS 32 -0.409 -2.726 8.534 82 2HB LYS 32 2HB LYS 32 -1.136 -2.693 6.921 83 1HG LYS 32 1HG LYS 32 -0.786 -5.152 6.719 84 2HG LYS 32 2HG LYS 32 -0.103 -5.187 8.354 85 1HD LYS 32 1HD LYS 32 -2.899 -4.190 7.641 86 2HD LYS 32 2HD LYS 32 -2.555 -5.838 8.167 87 1HE LYS 32 1HE LYS 32 -2.262 -5.275 10.354 88 2HE LYS 32 2HE LYS 32 -1.466 -3.747 9.981 89 1HZ LYS 32 3HZ LYS 32 -4.394 -4.169 9.751 90 2HZ LYS 32 1HZ LYS 32 -3.655 -3.410 10.995 91 3HZ LYS 32 2HZ LYS 32 -3.588 -2.754 9.499 92 H CYS 33 H CYS 33 0.287 -1.845 4.742 93 HA CYS 33 HA CYS 33 0.027 -4.245 3.177 94 1HB CYS 33 1HB CYS 33 -1.226 -2.981 1.798 95 2HB CYS 33 2HB CYS 33 -1.338 -1.985 3.229 96 H GLY 34 H GLY 34 2.504 -1.754 3.403 97 1HA GLY 34 2HA GLY 34 4.206 -3.118 1.378 98 2HA GLY 34 1HA GLY 34 4.622 -3.334 3.070 99 H LYS 35 H LYS 35 3.778 -0.263 3.418 100 HA LYS 35 HA LYS 35 5.241 1.465 1.882 101 1HB LYS 35 1HB LYS 35 3.774 1.908 3.975 102 2HB LYS 35 2HB LYS 35 5.261 1.718 4.902 103 1HG LYS 35 1HG LYS 35 6.169 3.596 3.237 104 2HG LYS 35 2HG LYS 35 4.455 3.826 2.886 105 1HD LYS 35 1HD LYS 35 4.213 3.981 5.520 106 2HD LYS 35 2HD LYS 35 5.962 4.155 5.508 107 1HE LYS 35 1HE LYS 35 4.985 6.339 5.614 108 2HE LYS 35 2HE LYS 35 5.748 6.161 4.029 109 1HZ LYS 35 2HZ LYS 35 2.859 5.652 4.478 110 2HZ LYS 35 3HZ LYS 35 3.426 7.136 4.042 111 3HZ LYS 35 1HZ LYS 35 3.604 5.858 3.041 112 H THR 36 H THR 36 6.682 -0.664 4.251 113 HA THR 36 HA THR 36 9.273 0.431 4.564 114 HB THR 36 HB THR 36 9.902 -1.915 5.172 115 HG1 THR 36 HG1 THR 36 8.253 -3.451 5.146 116 1HG2 THR 36 2HG2 THR 36 8.830 -0.390 6.841 117 2HG2 THR 36 3HG2 THR 36 7.236 -1.027 6.382 118 3HG2 THR 36 1HG2 THR 36 8.447 -2.095 7.121 119 H GLY 37 H GLY 37 7.962 -1.135 1.716 120 1HA GLY 37 2HA GLY 37 10.310 -2.078 0.461 121 2HA GLY 37 1HA GLY 37 10.292 -0.333 0.219 122 H HIS 38 H HIS 38 7.041 -1.237 0.132 123 HA HIS 38 HA HIS 38 6.899 -2.492 -2.431 124 1HB HIS 38 1HB HIS 38 4.588 -2.445 -2.171 125 2HB HIS 38 2HB HIS 38 5.220 -2.651 -0.563 126 HD1 HIS 38 HD1 HIS 38 5.478 0.974 -1.092 127 HD2 HIS 38 HD2 HIS 38 2.363 -1.793 -0.530 128 HE1 HIS 38 HE1 HIS 38 3.438 2.325 -0.373 129 H VAL 39 H VAL 39 5.347 -1.630 -4.108 130 HA VAL 39 HA VAL 39 5.617 1.263 -4.757 131 HB VAL 39 HB VAL 39 5.966 -1.042 -6.729 132 1HG1 VAL 39 1HG1 VAL 39 6.025 1.975 -7.184 133 2HG1 VAL 39 2HG1 VAL 39 6.553 0.761 -8.365 134 3HG1 VAL 39 3HG1 VAL 39 4.869 0.809 -7.883 135 1HG2 VAL 39 2HG2 VAL 39 7.974 1.031 -5.740 136 2HG2 VAL 39 3HG2 VAL 39 8.023 -0.717 -5.421 137 3HG2 VAL 39 1HG2 VAL 39 8.255 -0.125 -7.062 138 H MET 40 H MET 40 3.777 2.019 -6.044 139 HA MET 40 HA MET 40 1.314 1.270 -5.057 140 1HB MET 40 1HB MET 40 0.309 2.664 -6.763 141 2HB MET 40 2HB MET 40 1.756 3.408 -6.085 142 1HG MET 40 1HG MET 40 3.051 2.704 -8.098 143 2HG MET 40 2HG MET 40 1.600 1.946 -8.754 144 1HE MET 40 3HE MET 40 3.511 5.253 -7.991 145 2HE MET 40 1HE MET 40 2.331 6.513 -8.411 146 3HE MET 40 2HE MET 40 2.092 5.532 -6.952 147 H ALA 41 H ALA 41 2.835 -0.263 -7.870 148 HA ALA 41 HA ALA 41 0.546 -1.653 -8.867 149 1HB ALA 41 3HB ALA 41 2.676 -1.430 -10.087 150 2HB ALA 41 1HB ALA 41 3.503 -2.426 -8.866 151 3HB ALA 41 2HB ALA 41 2.238 -3.137 -9.891 152 H LYS 42 H LYS 42 2.882 -2.530 -6.304 153 HA LYS 42 HA LYS 42 1.733 -5.141 -5.683 154 1HB LYS 42 1HB LYS 42 4.119 -4.337 -5.339 155 2HB LYS 42 2HB LYS 42 3.551 -3.341 -4.015 156 1HG LYS 42 1HG LYS 42 3.391 -6.386 -4.140 157 2HG LYS 42 2HG LYS 42 4.670 -5.451 -3.372 158 1HD LYS 42 1HD LYS 42 2.819 -4.423 -1.876 159 2HD LYS 42 2HD LYS 42 1.803 -5.762 -2.474 160 1HE LYS 42 1HE LYS 42 3.563 -7.377 -1.727 161 2HE LYS 42 2HE LYS 42 4.473 -6.028 -1.038 162 1HZ LYS 42 3HZ LYS 42 2.525 -5.584 0.424 163 2HZ LYS 42 1HZ LYS 42 1.756 -6.895 -0.197 164 3HZ LYS 42 2HZ LYS 42 3.128 -7.085 0.657 165 H CYS 43 H CYS 43 1.518 -1.904 -4.315 166 HA CYS 43 HA CYS 43 0.615 -2.017 -1.908 167 1HB CYS 43 1HB CYS 43 0.962 -0.021 -3.274 168 2HB CYS 43 2HB CYS 43 -0.674 -0.207 -3.946 169 HA PRO 44 HA PRO 44 -3.114 -4.639 -1.940 170 1HB PRO 44 1HB PRO 44 -2.617 -4.404 1.010 171 2HB PRO 44 2HB PRO 44 -3.075 -5.834 0.047 172 1HG PRO 44 1HG PRO 44 -0.502 -5.478 0.853 173 2HG PRO 44 2HG PRO 44 -0.875 -6.104 -0.786 174 1HD PRO 44 1HD PRO 44 -0.080 -3.300 0.001 175 2HD PRO 44 2HD PRO 44 0.435 -4.270 -1.388 176 H GLU 45 H GLU 45 -2.544 -1.582 -0.162 177 HA GLU 45 HA GLU 45 -5.189 -1.238 0.808 178 1HB GLU 45 1HB GLU 45 -2.940 0.703 0.240 179 2HB GLU 45 2HB GLU 45 -4.526 1.308 0.675 180 1HG GLU 45 1HG GLU 45 -2.847 -0.569 2.354 181 2HG GLU 45 2HG GLU 45 -3.080 1.157 2.637 182 H ARG 46 H ARG 46 -4.125 -0.907 -2.489 183 HA ARG 46 HA ARG 46 -6.202 0.827 -3.479 184 1HB ARG 46 1HB ARG 46 -4.789 -1.532 -4.771 185 2HB ARG 46 2HB ARG 46 -5.821 -0.375 -5.628 186 1HG ARG 46 1HG ARG 46 -4.242 1.458 -4.944 187 2HG ARG 46 2HG ARG 46 -3.143 0.228 -4.309 188 1HD ARG 46 1HD ARG 46 -4.126 0.403 -7.206 189 2HD ARG 46 2HD ARG 46 -2.582 1.000 -6.619 190 HE ARG 46 HE ARG 46 -1.714 -1.123 -6.486 191 1HH1 ARG 46 1HH1 ARG 46 -5.091 -1.461 -7.380 192 2HH1 ARG 46 2HH1 ARG 46 -5.010 -3.198 -7.317 193 1HH2 ARG 46 2HH2 ARG 46 -1.609 -3.339 -6.933 194 2HH2 ARG 46 1HH2 ARG 46 -3.071 -4.184 -7.345 195 H GLN 47 H GLN 47 -6.331 -2.542 -2.516 196 HA GLN 47 HA GLN 47 -8.856 -3.155 -3.895 197 1HB GLN 47 1HB GLN 47 -7.090 -4.659 -1.917 198 2HB GLN 47 2HB GLN 47 -8.641 -5.269 -2.451 199 1HG GLN 47 1HG GLN 47 -6.894 -6.304 -3.738 200 2HG GLN 47 2HG GLN 47 -7.940 -5.338 -4.775 201 1HE2 GLN 47 1HE2 GLN 47 -5.034 -4.432 -2.773 202 2HE2 GLN 47 2HE2 GLN 47 -4.137 -3.812 -4.154 203 H ALA 48 H ALA 48 -10.753 -4.028 -2.597 204 HA ALA 48 HA ALA 48 -11.774 -1.969 -0.935 205 1HB ALA 48 2HB ALA 48 -13.721 -3.462 -0.723 206 2HB ALA 48 3HB ALA 48 -13.132 -3.413 -2.394 207 3HB ALA 48 1HB ALA 48 -12.771 -4.819 -1.363 208 H GLY 49 H GLY 49 -10.195 -4.991 0.003 209 1HA GLY 49 2HA GLY 49 -9.432 -5.803 2.032 210 2HA GLY 49 1HA GLY 49 -11.025 -5.375 2.656 No H/Q in entry = 210 Start of MODEL 26 1 H1 ARG 23 1H ARG 23 -8.530 0.136 1.834 2 H2 ARG 23 3H ARG 23 -9.775 -0.906 1.546 3 H3 ARG 23 2H ARG 23 -8.374 -0.993 0.685 4 HA ARG 23 HA ARG 23 -9.963 -0.002 -0.727 5 1HB ARG 23 1HB ARG 23 -10.435 1.946 1.558 6 2HB ARG 23 2HB ARG 23 -10.939 2.237 -0.100 7 1HG ARG 23 1HG ARG 23 -12.011 0.120 1.781 8 2HG ARG 23 2HG ARG 23 -12.832 1.491 1.063 9 1HD ARG 23 1HD ARG 23 -13.655 -0.202 -0.242 10 2HD ARG 23 2HD ARG 23 -12.304 0.325 -1.241 11 HE ARG 23 HE ARG 23 -12.237 -2.015 0.677 12 1HH1 ARG 23 1HH2 ARG 23 -11.328 -0.905 -2.556 13 2HH1 ARG 23 2HH2 ARG 23 -10.228 -2.254 -2.725 14 1HH2 ARG 23 1HH1 ARG 23 -11.240 -3.708 0.244 15 2HH2 ARG 23 2HH1 ARG 23 -10.394 -4.002 -1.279 16 H ALA 24 H ALA 24 -7.866 2.225 1.249 17 HA ALA 24 HA ALA 24 -6.446 3.060 -1.162 18 1HB ALA 24 2HB ALA 24 -8.380 4.947 0.282 19 2HB ALA 24 1HB ALA 24 -8.553 4.344 -1.382 20 3HB ALA 24 3HB ALA 24 -7.226 5.440 -0.972 21 HA PRO 25 HA PRO 25 -3.269 3.610 1.777 22 1HB PRO 25 1HB PRO 25 -1.815 5.794 0.839 23 2HB PRO 25 2HB PRO 25 -1.762 4.138 0.170 24 1HG PRO 25 1HG PRO 25 -3.409 6.474 -0.808 25 2HG PRO 25 2HG PRO 25 -2.410 5.332 -1.766 26 1HD PRO 25 1HD PRO 25 -5.069 4.995 -1.583 27 2HD PRO 25 2HD PRO 25 -3.987 3.574 -1.471 28 H ARG 26 H ARG 26 -5.188 6.495 1.183 29 HA ARG 26 HA ARG 26 -4.432 8.126 3.345 30 1HB ARG 26 1HB ARG 26 -6.395 9.382 2.882 31 2HB ARG 26 2HB ARG 26 -5.786 8.780 1.361 32 1HG ARG 26 1HG ARG 26 -7.767 7.851 0.882 33 2HG ARG 26 2HG ARG 26 -7.676 6.807 2.290 34 1HD ARG 26 1HD ARG 26 -8.837 9.623 2.187 35 2HD ARG 26 2HD ARG 26 -9.739 8.102 2.292 36 HE ARG 26 HE ARG 26 -7.825 8.513 4.481 37 1HH1 ARG 26 2HH1 ARG 26 -11.128 9.233 3.557 38 2HH1 ARG 26 1HH1 ARG 26 -11.623 9.447 5.215 39 1HH2 ARG 26 2HH2 ARG 26 -8.502 8.779 6.519 40 2HH2 ARG 26 1HH2 ARG 26 -10.159 9.198 6.858 41 H ARG 27 H ARG 27 -5.970 5.119 3.760 42 HA ARG 27 HA ARG 27 -6.923 5.935 6.495 43 1HB ARG 27 1HB ARG 27 -8.565 4.296 6.436 44 2HB ARG 27 2HB ARG 27 -8.586 5.001 4.834 45 1HG ARG 27 1HG ARG 27 -8.657 2.837 4.170 46 2HG ARG 27 2HG ARG 27 -6.905 2.921 4.334 47 1HD ARG 27 1HD ARG 27 -7.134 1.983 6.668 48 2HD ARG 27 2HD ARG 27 -8.872 1.863 6.423 49 HE ARG 27 HE ARG 27 -6.741 0.331 4.955 50 1HH1 ARG 27 1HH1 ARG 27 -10.233 0.617 5.467 51 2HH1 ARG 27 2HH1 ARG 27 -10.471 -0.780 4.414 52 1HH2 ARG 27 2HH2 ARG 27 -7.200 -1.339 3.846 53 2HH2 ARG 27 1HH2 ARG 27 -8.874 -1.904 3.655 54 H GLN 28 H GLN 28 -4.331 4.372 5.072 55 HA GLN 28 HA GLN 28 -3.775 2.767 7.548 56 1HB GLN 28 1HB GLN 28 -4.623 1.561 5.352 57 2HB GLN 28 2HB GLN 28 -2.991 1.867 4.768 58 1HG GLN 28 1HG GLN 28 -2.438 0.755 7.230 59 2HG GLN 28 2HG GLN 28 -3.987 0.000 6.890 60 1HE2 GLN 28 2HE2 GLN 28 -4.077 -1.020 4.486 61 2HE2 GLN 28 1HE2 GLN 28 -2.604 -1.898 4.101 62 H GLY 29 H GLY 29 -2.481 4.997 5.172 63 1HA GLY 29 2HA GLY 29 0.037 5.439 6.425 64 2HA GLY 29 1HA GLY 29 -0.399 5.835 4.754 65 H CYS 30 H CYS 30 -0.983 3.038 4.072 66 HA CYS 30 HA CYS 30 -0.227 0.993 3.666 67 1HB CYS 30 1HB CYS 30 1.844 2.856 2.499 68 2HB CYS 30 2HB CYS 30 1.900 1.115 2.187 69 H TRP 31 H TRP 31 0.685 1.795 6.445 70 HA TRP 31 HA TRP 31 3.340 0.829 6.774 71 1HB TRP 31 1HB TRP 31 2.012 2.422 8.249 72 2HB TRP 31 2HB TRP 31 1.247 1.000 8.954 73 HD1 TRP 31 HD1 TRP 31 2.382 0.391 11.156 74 HE1 TRP 31 HE1 TRP 31 4.746 0.471 12.157 75 HE3 TRP 31 HE3 TRP 31 4.888 2.431 7.174 76 HZ2 TRP 31 HZ2 TRP 31 7.392 1.275 11.323 77 HZ3 TRP 31 HZ3 TRP 31 7.339 2.823 7.299 78 HH2 TRP 31 HH2 TRP 31 8.597 2.249 9.361 79 H LYS 32 H LYS 32 0.442 -1.014 6.526 80 HA LYS 32 HA LYS 32 1.945 -3.514 7.236 81 1HB LYS 32 1HB LYS 32 -0.060 -3.100 8.648 82 2HB LYS 32 2HB LYS 32 -1.057 -2.980 7.200 83 1HG LYS 32 1HG LYS 32 -1.407 -5.141 8.160 84 2HG LYS 32 2HG LYS 32 -0.547 -5.356 6.656 85 1HD LYS 32 1HD LYS 32 1.578 -5.259 8.466 86 2HD LYS 32 2HD LYS 32 0.285 -5.889 9.476 87 1HE LYS 32 1HE LYS 32 1.291 -7.820 8.592 88 2HE LYS 32 2HE LYS 32 -0.155 -7.603 7.601 89 1HZ LYS 32 3HZ LYS 32 1.352 -6.448 5.950 90 2HZ LYS 32 1HZ LYS 32 2.633 -6.882 6.860 91 3HZ LYS 32 2HZ LYS 32 1.714 -8.035 6.166 92 H CYS 33 H CYS 33 0.136 -1.844 4.781 93 HA CYS 33 HA CYS 33 -0.058 -3.695 2.675 94 1HB CYS 33 1HB CYS 33 -0.981 -1.357 2.951 95 2HB CYS 33 2HB CYS 33 0.650 -0.736 2.687 96 H GLY 34 H GLY 34 2.675 -1.624 3.651 97 1HA GLY 34 2HA GLY 34 4.591 -3.300 2.046 98 2HA GLY 34 1HA GLY 34 4.783 -3.012 3.770 99 H LYS 35 H LYS 35 4.025 -0.073 3.518 100 HA LYS 35 HA LYS 35 5.446 1.343 1.611 101 1HB LYS 35 1HB LYS 35 3.840 2.206 3.342 102 2HB LYS 35 2HB LYS 35 5.156 2.179 4.515 103 1HG LYS 35 1HG LYS 35 6.408 3.840 3.153 104 2HG LYS 35 2HG LYS 35 5.185 3.730 1.877 105 1HD LYS 35 1HD LYS 35 4.814 5.757 3.118 106 2HD LYS 35 2HD LYS 35 3.493 4.636 3.458 107 1HE LYS 35 1HE LYS 35 4.837 3.945 5.560 108 2HE LYS 35 2HE LYS 35 5.890 5.326 5.227 109 1HZ LYS 35 1HZ LYS 35 3.869 6.739 5.382 110 2HZ LYS 35 2HZ LYS 35 2.970 5.405 5.737 111 3HZ LYS 35 3HZ LYS 35 4.125 5.923 6.778 112 H THR 36 H THR 36 6.930 -0.323 4.267 113 HA THR 36 HA THR 36 9.505 0.885 4.371 114 HB THR 36 HB THR 36 10.224 -1.368 5.212 115 HG1 THR 36 HG1 THR 36 8.617 -2.923 5.452 116 1HG2 THR 36 1HG2 THR 36 9.218 0.331 6.745 117 2HG2 THR 36 2HG2 THR 36 7.613 -0.372 6.451 118 3HG2 THR 36 3HG2 THR 36 8.879 -1.333 7.245 119 H GLY 37 H GLY 37 8.124 -1.063 1.802 120 1HA GLY 37 2HA GLY 37 10.373 -2.144 0.547 121 2HA GLY 37 1HA GLY 37 10.418 -0.432 0.135 122 H HIS 38 H HIS 38 7.125 -1.328 0.274 123 HA HIS 38 HA HIS 38 6.896 -2.673 -2.243 124 1HB HIS 38 1HB HIS 38 4.636 -2.718 -1.893 125 2HB HIS 38 2HB HIS 38 5.279 -2.743 -0.270 126 HD1 HIS 38 HD1 HIS 38 5.377 0.824 -0.994 127 HD2 HIS 38 HD2 HIS 38 2.347 -2.041 -0.477 128 HE1 HIS 38 HE1 HIS 38 3.248 2.118 -0.449 129 H VAL 39 H VAL 39 5.254 -1.837 -3.902 130 HA VAL 39 HA VAL 39 5.696 1.013 -4.671 131 HB VAL 39 HB VAL 39 5.796 -1.358 -6.586 132 1HG1 VAL 39 3HG1 VAL 39 6.253 1.626 -7.046 133 2HG1 VAL 39 1HG1 VAL 39 6.590 0.349 -8.232 134 3HG1 VAL 39 2HG1 VAL 39 4.936 0.636 -7.725 135 1HG2 VAL 39 1HG2 VAL 39 8.054 0.441 -5.602 136 2HG2 VAL 39 2HG2 VAL 39 7.883 -1.302 -5.294 137 3HG2 VAL 39 3HG2 VAL 39 8.182 -0.733 -6.932 138 H MET 40 H MET 40 3.958 1.925 -5.815 139 HA MET 40 HA MET 40 1.389 1.379 -4.974 140 1HB MET 40 1HB MET 40 2.195 2.778 -7.552 141 2HB MET 40 2HB MET 40 0.633 2.886 -6.750 142 1HG MET 40 1HG MET 40 1.746 4.844 -6.137 143 2HG MET 40 2HG MET 40 1.778 3.812 -4.717 144 1HE MET 40 2HE MET 40 3.787 5.530 -7.595 145 2HE MET 40 3HE MET 40 5.443 4.935 -7.356 146 3HE MET 40 1HE MET 40 4.192 3.838 -7.969 147 H ALA 41 H ALA 41 2.975 -0.102 -7.757 148 HA ALA 41 HA ALA 41 0.662 -1.207 -9.033 149 1HB ALA 41 2HB ALA 41 2.855 -0.913 -10.122 150 2HB ALA 41 3HB ALA 41 3.576 -2.115 -9.024 151 3HB ALA 41 1HB ALA 41 2.331 -2.605 -10.192 152 H LYS 42 H LYS 42 2.550 -2.334 -6.250 153 HA LYS 42 HA LYS 42 1.222 -4.998 -6.175 154 1HB LYS 42 1HB LYS 42 3.684 -4.545 -5.516 155 2HB LYS 42 2HB LYS 42 3.058 -3.730 -4.089 156 1HG LYS 42 1HG LYS 42 1.710 -6.043 -3.781 157 2HG LYS 42 2HG LYS 42 2.946 -6.645 -4.875 158 1HD LYS 42 1HD LYS 42 3.800 -7.125 -2.748 159 2HD LYS 42 2HD LYS 42 4.673 -5.646 -3.190 160 1HE LYS 42 1HE LYS 42 3.045 -4.306 -1.855 161 2HE LYS 42 2HE LYS 42 2.120 -5.775 -1.520 162 1HZ LYS 42 3HZ LYS 42 4.888 -5.319 -0.560 163 2HZ LYS 42 1HZ LYS 42 3.522 -5.188 0.349 164 3HZ LYS 42 2HZ LYS 42 3.976 -6.637 -0.255 165 H CYS 43 H CYS 43 1.438 -2.070 -4.272 166 HA CYS 43 HA CYS 43 0.510 -1.930 -2.051 167 1HB CYS 43 1HB CYS 43 0.563 -0.107 -3.719 168 2HB CYS 43 2HB CYS 43 -1.126 -0.438 -4.107 169 HA PRO 44 HA PRO 44 -2.837 -5.156 -1.810 170 1HB PRO 44 1HB PRO 44 -1.649 -4.955 0.964 171 2HB PRO 44 2HB PRO 44 -2.340 -6.392 0.137 172 1HG PRO 44 1HG PRO 44 0.332 -6.030 0.170 173 2HG PRO 44 2HG PRO 44 -0.475 -6.511 -1.361 174 1HD PRO 44 1HD PRO 44 0.496 -3.789 -0.519 175 2HD PRO 44 2HD PRO 44 0.579 -4.575 -2.111 176 H GLU 45 H GLU 45 -2.365 -2.184 0.109 177 HA GLU 45 HA GLU 45 -4.884 -2.141 1.432 178 1HB GLU 45 1HB GLU 45 -3.074 -0.669 2.019 179 2HB GLU 45 2HB GLU 45 -3.054 0.053 0.418 180 1HG GLU 45 1HG GLU 45 -4.035 1.507 2.163 181 2HG GLU 45 2HG GLU 45 -5.073 1.212 0.772 182 H ARG 46 H ARG 46 -4.193 -1.576 -2.002 183 HA ARG 46 HA ARG 46 -6.816 -0.402 -2.622 184 1HB ARG 46 1HB ARG 46 -5.056 -2.030 -4.447 185 2HB ARG 46 2HB ARG 46 -6.282 -0.876 -4.928 186 1HG ARG 46 1HG ARG 46 -4.930 1.010 -4.256 187 2HG ARG 46 2HG ARG 46 -3.742 -0.023 -3.457 188 1HD ARG 46 1HD ARG 46 -4.317 0.047 -6.439 189 2HD ARG 46 2HD ARG 46 -2.877 0.689 -5.621 190 HE ARG 46 HE ARG 46 -2.994 -1.972 -4.833 191 1HH1 ARG 46 2HH2 ARG 46 -2.557 -0.423 -7.953 192 2HH1 ARG 46 1HH2 ARG 46 -1.987 -1.904 -8.684 193 1HH2 ARG 46 2HH1 ARG 46 -2.338 -3.757 -5.816 194 2HH2 ARG 46 1HH1 ARG 46 -1.569 -3.660 -7.398 195 H GLN 47 H GLN 47 -5.444 -3.687 -2.656 196 HA GLN 47 HA GLN 47 -7.831 -4.992 -3.651 197 1HB GLN 47 1HB GLN 47 -5.371 -6.121 -2.223 198 2HB GLN 47 2HB GLN 47 -6.674 -7.071 -2.913 199 1HG GLN 47 1HG GLN 47 -5.273 -7.213 -4.665 200 2HG GLN 47 2HG GLN 47 -6.076 -5.729 -5.144 201 1HE2 GLN 47 1HE2 GLN 47 -3.018 -7.158 -4.022 202 2HE2 GLN 47 2HE2 GLN 47 -2.080 -5.677 -4.232 203 H ALA 48 H ALA 48 -6.372 -4.837 -0.371 204 HA ALA 48 HA ALA 48 -8.554 -6.420 0.760 205 1HB ALA 48 3HB ALA 48 -5.982 -5.308 1.964 206 2HB ALA 48 1HB ALA 48 -7.038 -6.533 2.697 207 3HB ALA 48 2HB ALA 48 -6.166 -6.902 1.198 208 H GLY 49 H GLY 49 -9.519 -5.943 2.786 209 1HA GLY 49 2HA GLY 49 -9.801 -3.676 4.318 210 2HA GLY 49 1HA GLY 49 -11.129 -4.767 3.941 No H/Q in entry = 210 Start of MODEL 27 1 H1 ARG 23 1H ARG 23 -3.608 0.366 -1.716 2 H2 ARG 23 3H ARG 23 -3.362 -0.713 -2.927 3 H3 ARG 23 2H ARG 23 -2.947 0.858 -3.124 4 HA ARG 23 HA ARG 23 -4.949 0.506 -4.341 5 1HB ARG 23 1HB ARG 23 -5.893 -0.783 -1.771 6 2HB ARG 23 2HB ARG 23 -7.043 -0.087 -2.920 7 1HG ARG 23 1HG ARG 23 -6.170 -1.511 -4.714 8 2HG ARG 23 2HG ARG 23 -4.983 -2.233 -3.619 9 1HD ARG 23 1HD ARG 23 -7.992 -2.342 -3.127 10 2HD ARG 23 2HD ARG 23 -7.126 -3.552 -4.065 11 HE ARG 23 HE ARG 23 -5.767 -4.099 -2.090 12 1HH1 ARG 23 1HH2 ARG 23 -8.763 -2.398 -1.269 13 2HH1 ARG 23 2HH2 ARG 23 -8.747 -3.131 0.332 14 1HH2 ARG 23 2HH1 ARG 23 -5.977 -5.011 -0.190 15 2HH2 ARG 23 1HH1 ARG 23 -7.386 -4.675 0.835 16 H ALA 24 H ALA 24 -5.617 1.563 -0.950 17 HA ALA 24 HA ALA 24 -5.768 4.391 -1.833 18 1HB ALA 24 1HB ALA 24 -8.050 3.566 -2.073 19 2HB ALA 24 2HB ALA 24 -8.019 2.900 -0.427 20 3HB ALA 24 3HB ALA 24 -7.936 4.658 -0.680 21 HA PRO 25 HA PRO 25 -3.041 3.326 1.729 22 1HB PRO 25 1HB PRO 25 -2.082 6.128 1.112 23 2HB PRO 25 2HB PRO 25 -1.118 4.690 1.563 24 1HG PRO 25 1HG PRO 25 -1.315 5.444 -1.029 25 2HG PRO 25 2HG PRO 25 -1.452 3.711 -0.601 26 1HD PRO 25 1HD PRO 25 -3.646 5.661 -1.266 27 2HD PRO 25 2HD PRO 25 -3.465 3.942 -1.723 28 H ARG 26 H ARG 26 -5.113 6.142 1.632 29 HA ARG 26 HA ARG 26 -4.430 7.703 3.727 30 1HB ARG 26 1HB ARG 26 -6.205 8.141 2.086 31 2HB ARG 26 2HB ARG 26 -7.240 6.944 2.848 32 1HG ARG 26 1HG ARG 26 -7.987 9.147 3.397 33 2HG ARG 26 2HG ARG 26 -7.441 8.366 4.870 34 1HD ARG 26 1HD ARG 26 -5.678 10.278 3.275 35 2HD ARG 26 2HD ARG 26 -6.852 10.843 4.475 36 HE ARG 26 HE ARG 26 -5.247 8.851 5.710 37 1HH1 ARG 26 2HH2 ARG 26 -4.884 12.164 4.624 38 2HH1 ARG 26 1HH2 ARG 26 -3.631 12.495 5.790 39 1HH2 ARG 26 2HH1 ARG 26 -3.660 9.319 7.130 40 2HH2 ARG 26 1HH1 ARG 26 -2.954 10.910 7.182 41 H ARG 27 H ARG 27 -6.326 4.731 4.237 42 HA ARG 27 HA ARG 27 -6.737 5.332 7.083 43 1HB ARG 27 1HB ARG 27 -8.099 3.390 7.167 44 2HB ARG 27 2HB ARG 27 -8.440 4.231 5.660 45 1HG ARG 27 1HG ARG 27 -6.812 2.577 4.539 46 2HG ARG 27 2HG ARG 27 -6.846 1.660 6.050 47 1HD ARG 27 1HD ARG 27 -9.288 1.402 5.892 48 2HD ARG 27 2HD ARG 27 -9.338 2.395 4.434 49 HE ARG 27 HE ARG 27 -8.677 -0.425 4.616 50 1HH1 ARG 27 1HH2 ARG 27 -7.783 2.409 2.686 51 2HH1 ARG 27 2HH2 ARG 27 -7.120 1.365 1.448 52 1HH2 ARG 27 2HH1 ARG 27 -8.203 -1.567 2.614 53 2HH2 ARG 27 1HH1 ARG 27 -7.292 -0.609 1.447 54 H GLN 28 H GLN 28 -4.048 4.117 5.569 55 HA GLN 28 HA GLN 28 -3.072 2.764 8.057 56 1HB GLN 28 1HB GLN 28 -4.039 1.099 6.536 57 2HB GLN 28 2HB GLN 28 -3.066 1.699 5.204 58 1HG GLN 28 1HG GLN 28 -2.210 -0.411 6.009 59 2HG GLN 28 2HG GLN 28 -1.022 0.846 6.259 60 1HE2 GLN 28 2HE2 GLN 28 -0.755 1.674 8.544 61 2HE2 GLN 28 1HE2 GLN 28 -1.129 0.550 9.852 62 H GLY 29 H GLY 29 -2.343 4.947 5.460 63 1HA GLY 29 2HA GLY 29 0.338 5.596 6.246 64 2HA GLY 29 1HA GLY 29 -0.437 5.952 4.694 65 H CYS 30 H CYS 30 -0.988 3.112 4.154 66 HA CYS 30 HA CYS 30 -0.253 1.060 3.785 67 1HB CYS 30 1HB CYS 30 1.663 2.819 2.263 68 2HB CYS 30 2HB CYS 30 1.815 1.057 2.182 69 H TRP 31 H TRP 31 1.129 2.322 6.323 70 HA TRP 31 HA TRP 31 3.719 1.280 6.465 71 1HB TRP 31 1HB TRP 31 2.216 2.911 8.012 72 2HB TRP 31 2HB TRP 31 2.206 1.478 9.025 73 HD1 TRP 31 HD1 TRP 31 4.718 0.584 9.778 74 HE1 TRP 31 HE1 TRP 31 6.903 1.867 10.199 75 HE3 TRP 31 HE3 TRP 31 3.592 4.932 7.307 76 HZ2 TRP 31 HZ2 TRP 31 8.030 4.438 9.525 77 HZ3 TRP 31 HZ3 TRP 31 5.242 6.790 7.224 78 HH2 TRP 31 HH2 TRP 31 7.460 6.553 8.321 79 H LYS 32 H LYS 32 0.794 -0.504 6.876 80 HA LYS 32 HA LYS 32 2.360 -2.968 7.555 81 1HB LYS 32 1HB LYS 32 0.438 -2.058 9.089 82 2HB LYS 32 2HB LYS 32 -0.635 -2.762 7.865 83 1HG LYS 32 1HG LYS 32 0.354 -4.982 8.252 84 2HG LYS 32 2HG LYS 32 1.592 -4.273 9.289 85 1HD LYS 32 1HD LYS 32 0.057 -5.303 10.722 86 2HD LYS 32 2HD LYS 32 -0.210 -3.579 10.920 87 1HE LYS 32 1HE LYS 32 -1.895 -5.240 9.005 88 2HE LYS 32 2HE LYS 32 -2.214 -5.292 10.729 89 1HZ LYS 32 3HZ LYS 32 -2.240 -2.720 9.225 90 2HZ LYS 32 1HZ LYS 32 -3.549 -3.643 9.470 91 3HZ LYS 32 2HZ LYS 32 -2.753 -2.997 10.752 92 H CYS 33 H CYS 33 0.462 -1.485 5.092 93 HA CYS 33 HA CYS 33 -0.227 -3.727 3.434 94 1HB CYS 33 1HB CYS 33 -1.213 -1.512 3.161 95 2HB CYS 33 2HB CYS 33 0.391 -0.801 2.907 96 H GLY 34 H GLY 34 2.619 -1.592 3.630 97 1HA GLY 34 2HA GLY 34 4.167 -3.208 1.684 98 2HA GLY 34 1HA GLY 34 4.686 -3.291 3.365 99 H LYS 35 H LYS 35 3.859 -0.185 3.476 100 HA LYS 35 HA LYS 35 5.470 1.260 1.690 101 1HB LYS 35 1HB LYS 35 3.697 2.064 3.365 102 2HB LYS 35 2HB LYS 35 4.971 2.087 4.568 103 1HG LYS 35 1HG LYS 35 5.966 3.546 2.292 104 2HG LYS 35 2HG LYS 35 4.275 3.958 2.412 105 1HD LYS 35 1HD LYS 35 5.532 5.585 3.662 106 2HD LYS 35 2HD LYS 35 4.578 4.624 4.782 107 1HE LYS 35 1HE LYS 35 6.757 5.008 5.737 108 2HE LYS 35 2HE LYS 35 6.593 3.292 5.382 109 1HZ LYS 35 2HZ LYS 35 8.020 5.234 3.632 110 2HZ LYS 35 3HZ LYS 35 8.757 4.235 4.691 111 3HZ LYS 35 1HZ LYS 35 7.959 3.604 3.414 112 H THR 36 H THR 36 6.675 -0.765 4.139 113 HA THR 36 HA THR 36 9.277 0.347 4.631 114 HB THR 36 HB THR 36 9.860 -2.049 5.125 115 HG1 THR 36 HG1 THR 36 8.173 -3.538 5.039 116 1HG2 THR 36 3HG2 THR 36 8.843 -0.568 6.868 117 2HG2 THR 36 1HG2 THR 36 7.230 -1.139 6.391 118 3HG2 THR 36 2HG2 THR 36 8.413 -2.273 7.076 119 H GLY 37 H GLY 37 7.928 -1.149 1.745 120 1HA GLY 37 2HA GLY 37 10.283 -2.036 0.455 121 2HA GLY 37 1HA GLY 37 10.208 -0.295 0.209 122 H HIS 38 H HIS 38 6.992 -1.470 0.187 123 HA HIS 38 HA HIS 38 6.886 -2.561 -2.461 124 1HB HIS 38 1HB HIS 38 4.600 -2.762 -2.138 125 2HB HIS 38 2HB HIS 38 5.278 -2.977 -0.542 126 HD1 HIS 38 HD1 HIS 38 5.157 0.686 -0.984 127 HD2 HIS 38 HD2 HIS 38 2.392 -2.416 -0.342 128 HE1 HIS 38 HE1 HIS 38 3.024 1.790 -0.127 129 H VAL 39 H VAL 39 5.174 -1.646 -4.045 130 HA VAL 39 HA VAL 39 5.409 1.297 -4.472 131 HB VAL 39 HB VAL 39 5.823 -0.816 -6.636 132 1HG1 VAL 39 1HG1 VAL 39 6.008 2.231 -6.749 133 2HG1 VAL 39 2HG1 VAL 39 6.521 1.130 -8.041 134 3HG1 VAL 39 3HG1 VAL 39 4.827 1.208 -7.604 135 1HG2 VAL 39 2HG2 VAL 39 7.845 1.067 -5.342 136 2HG2 VAL 39 3HG2 VAL 39 7.838 -0.707 -5.236 137 3HG2 VAL 39 1HG2 VAL 39 8.147 0.072 -6.784 138 H MET 40 H MET 40 3.637 2.201 -5.601 139 HA MET 40 HA MET 40 1.069 1.228 -5.130 140 1HB MET 40 1HB MET 40 0.273 2.970 -6.585 141 2HB MET 40 2HB MET 40 1.594 3.558 -5.577 142 1HG MET 40 1HG MET 40 3.165 3.282 -7.490 143 2HG MET 40 2HG MET 40 1.830 2.744 -8.508 144 1HE MET 40 1HE MET 40 -0.015 4.246 -9.504 145 2HE MET 40 2HE MET 40 -0.598 4.693 -7.884 146 3HE MET 40 3HE MET 40 -0.269 5.954 -9.088 147 H ALA 41 H ALA 41 3.126 0.326 -7.795 148 HA ALA 41 HA ALA 41 1.142 -0.865 -9.509 149 1HB ALA 41 2HB ALA 41 3.373 -0.092 -10.256 150 2HB ALA 41 3HB ALA 41 4.147 -1.339 -9.248 151 3HB ALA 41 1HB ALA 41 3.125 -1.806 -10.624 152 H LYS 42 H LYS 42 1.956 -1.840 -6.412 153 HA LYS 42 HA LYS 42 0.875 -4.561 -6.942 154 1HB LYS 42 1HB LYS 42 3.427 -4.624 -6.826 155 2HB LYS 42 2HB LYS 42 3.312 -4.038 -5.178 156 1HG LYS 42 1HG LYS 42 3.641 -6.440 -5.204 157 2HG LYS 42 2HG LYS 42 2.078 -6.056 -4.504 158 1HD LYS 42 1HD LYS 42 1.985 -8.029 -5.924 159 2HD LYS 42 2HD LYS 42 0.924 -6.789 -6.557 160 1HE LYS 42 1HE LYS 42 3.754 -6.952 -7.629 161 2HE LYS 42 2HE LYS 42 2.642 -8.248 -8.055 162 1HZ LYS 42 2HZ LYS 42 1.125 -6.609 -8.996 163 2HZ LYS 42 3HZ LYS 42 2.140 -5.370 -8.656 164 3HZ LYS 42 1HZ LYS 42 2.577 -6.520 -9.720 165 H CYS 43 H CYS 43 1.792 -2.292 -4.387 166 HA CYS 43 HA CYS 43 0.891 -2.242 -2.168 167 1HB CYS 43 1HB CYS 43 0.830 -0.328 -3.722 168 2HB CYS 43 2HB CYS 43 -0.853 -0.715 -4.121 169 HA PRO 44 HA PRO 44 -2.386 -5.511 -2.686 170 1HB PRO 44 1HB PRO 44 -1.247 -6.506 -0.078 171 2HB PRO 44 2HB PRO 44 -1.686 -7.428 -1.547 172 1HG PRO 44 1HG PRO 44 0.911 -6.892 -0.971 173 2HG PRO 44 2HG PRO 44 0.311 -6.752 -2.656 174 1HD PRO 44 1HD PRO 44 0.719 -4.545 -0.621 175 2HD PRO 44 2HD PRO 44 1.227 -4.610 -2.330 176 H GLU 45 H GLU 45 -1.611 -3.889 0.359 177 HA GLU 45 HA GLU 45 -2.747 -3.017 2.056 178 1HB GLU 45 1HB GLU 45 -3.405 -1.851 -0.198 179 2HB GLU 45 2HB GLU 45 -5.014 -2.451 0.166 180 1HG GLU 45 1HG GLU 45 -5.000 -1.182 2.296 181 2HG GLU 45 2HG GLU 45 -3.324 -0.686 1.998 182 H ARG 46 H ARG 46 -3.764 -5.951 1.232 183 HA ARG 46 HA ARG 46 -6.353 -6.293 2.363 184 1HB ARG 46 1HB ARG 46 -4.890 -7.927 0.968 185 2HB ARG 46 2HB ARG 46 -4.089 -8.307 2.485 186 1HG ARG 46 1HG ARG 46 -5.628 -9.969 2.499 187 2HG ARG 46 2HG ARG 46 -6.625 -8.768 3.307 188 1HD ARG 46 1HD ARG 46 -6.638 -9.394 0.319 189 2HD ARG 46 2HD ARG 46 -7.774 -10.054 1.500 190 HE ARG 46 HE ARG 46 -7.981 -7.239 1.714 191 1HH1 ARG 46 2HH1 ARG 46 -8.713 -9.668 -0.721 192 2HH1 ARG 46 1HH1 ARG 46 -9.989 -8.697 -1.401 193 1HH2 ARG 46 2HH2 ARG 46 -9.507 -6.102 0.827 194 2HH2 ARG 46 1HH2 ARG 46 -10.462 -6.694 -0.534 195 H GLN 47 H GLN 47 -3.249 -6.042 3.864 196 HA GLN 47 HA GLN 47 -3.777 -6.667 6.561 197 1HB GLN 47 1HB GLN 47 -1.895 -4.565 5.384 198 2HB GLN 47 2HB GLN 47 -1.823 -5.232 7.007 199 1HG GLN 47 1HG GLN 47 -0.295 -6.619 6.120 200 2HG GLN 47 2HG GLN 47 -1.691 -7.574 5.663 201 1HE2 GLN 47 2HE2 GLN 47 1.122 -6.093 4.520 202 2HE2 GLN 47 1HE2 GLN 47 0.755 -6.100 2.812 203 H ALA 48 H ALA 48 -5.141 -4.038 4.796 204 HA ALA 48 HA ALA 48 -6.284 -2.929 7.311 205 1HB ALA 48 1HB ALA 48 -4.470 -1.454 6.486 206 2HB ALA 48 3HB ALA 48 -6.054 -0.672 6.370 207 3HB ALA 48 2HB ALA 48 -5.286 -1.333 4.909 208 H GLY 49 H GLY 49 -7.146 -4.821 4.955 209 1HA GLY 49 2HA GLY 49 -9.839 -3.602 4.455 210 2HA GLY 49 1HA GLY 49 -9.441 -5.321 4.431 No H/Q in entry = 210 Start of MODEL 28 1 H1 ARG 23 2H ARG 23 -7.608 1.259 2.241 2 H2 ARG 23 1H ARG 23 -9.096 0.627 1.856 3 H3 ARG 23 3H ARG 23 -7.751 0.187 1.026 4 HA ARG 23 HA ARG 23 -8.931 1.571 -0.347 5 1HB ARG 23 1HB ARG 23 -10.219 2.677 1.588 6 2HB ARG 23 2HB ARG 23 -8.851 3.773 1.740 7 1HG ARG 23 1HG ARG 23 -10.289 4.977 0.368 8 2HG ARG 23 2HG ARG 23 -9.230 4.248 -0.826 9 1HD ARG 23 1HD ARG 23 -12.065 3.460 -0.067 10 2HD ARG 23 2HD ARG 23 -11.509 4.077 -1.619 11 HE ARG 23 HE ARG 23 -11.264 1.320 -0.544 12 1HH1 ARG 23 2HH2 ARG 23 -10.336 3.341 -3.280 13 2HH1 ARG 23 1HH2 ARG 23 -9.727 1.950 -4.141 14 1HH2 ARG 23 2HH1 ARG 23 -10.465 -0.227 -1.563 15 2HH2 ARG 23 1HH1 ARG 23 -9.721 -0.068 -3.159 16 H ALA 24 H ALA 24 -6.440 3.122 1.788 17 HA ALA 24 HA ALA 24 -4.589 3.531 -0.403 18 1HB ALA 24 3HB ALA 24 -6.337 5.836 0.631 19 2HB ALA 24 2HB ALA 24 -6.296 5.213 -1.029 20 3HB ALA 24 1HB ALA 24 -4.898 6.067 -0.376 21 HA PRO 25 HA PRO 25 -1.833 4.367 3.083 22 1HB PRO 25 1HB PRO 25 -0.381 6.606 2.197 23 2HB PRO 25 2HB PRO 25 -0.012 4.898 1.852 24 1HG PRO 25 1HG PRO 25 -1.519 6.878 0.144 25 2HG PRO 25 2HG PRO 25 -0.297 5.671 -0.365 26 1HD PRO 25 1HD PRO 25 -2.925 5.214 -0.719 27 2HD PRO 25 2HD PRO 25 -1.855 3.894 -0.187 28 H ARG 26 H ARG 26 -3.866 6.941 1.841 29 HA ARG 26 HA ARG 26 -3.885 8.905 3.787 30 1HB ARG 26 1HB ARG 26 -5.190 8.876 1.692 31 2HB ARG 26 2HB ARG 26 -6.221 7.606 2.331 32 1HG ARG 26 1HG ARG 26 -7.388 9.684 2.344 33 2HG ARG 26 2HG ARG 26 -7.162 9.170 4.004 34 1HD ARG 26 1HD ARG 26 -5.329 11.191 2.639 35 2HD ARG 26 2HD ARG 26 -6.848 11.654 3.426 36 HE ARG 26 HE ARG 26 -5.369 10.109 5.284 37 1HH1 ARG 26 1HH1 ARG 26 -5.190 13.307 3.856 38 2HH1 ARG 26 2HH1 ARG 26 -4.336 13.964 5.227 39 1HH2 ARG 26 1HH2 ARG 26 -4.267 10.983 6.959 40 2HH2 ARG 26 2HH2 ARG 26 -3.825 12.668 6.948 41 H ARG 27 H ARG 27 -5.175 5.632 4.248 42 HA ARG 27 HA ARG 27 -6.072 6.423 7.010 43 1HB ARG 27 1HB ARG 27 -7.850 4.912 6.885 44 2HB ARG 27 2HB ARG 27 -7.832 5.762 5.356 45 1HG ARG 27 1HG ARG 27 -8.056 3.720 4.431 46 2HG ARG 27 2HG ARG 27 -6.322 3.548 4.694 47 1HD ARG 27 1HD ARG 27 -6.828 2.466 6.918 48 2HD ARG 27 2HD ARG 27 -8.547 2.601 6.568 49 HE ARG 27 HE ARG 27 -6.543 0.854 5.184 50 1HH1 ARG 27 2HH1 ARG 27 -9.980 1.694 5.322 51 2HH1 ARG 27 1HH1 ARG 27 -10.319 0.385 4.195 52 1HH2 ARG 27 2HH2 ARG 27 -7.147 -0.818 4.129 53 2HH2 ARG 27 1HH2 ARG 27 -8.845 -1.200 3.826 54 H GLN 28 H GLN 28 -3.524 4.900 5.670 55 HA GLN 28 HA GLN 28 -3.174 2.985 7.946 56 1HB GLN 28 1HB GLN 28 -4.287 1.902 6.003 57 2HB GLN 28 2HB GLN 28 -2.960 2.392 4.961 58 1HG GLN 28 1HG GLN 28 -2.839 0.023 5.539 59 2HG GLN 28 2HG GLN 28 -1.427 0.866 6.130 60 1HE2 GLN 28 1HE2 GLN 28 -1.273 1.252 8.503 61 2HE2 GLN 28 2HE2 GLN 28 -2.198 0.200 9.577 62 H GLY 29 H GLY 29 -1.661 5.367 5.964 63 1HA GLY 29 2HA GLY 29 0.979 5.182 6.974 64 2HA GLY 29 1HA GLY 29 0.482 5.942 5.455 65 H CYS 30 H CYS 30 -0.599 3.299 4.489 66 HA CYS 30 HA CYS 30 -0.176 1.188 3.921 67 1HB CYS 30 1HB CYS 30 1.835 2.905 2.507 68 2HB CYS 30 2HB CYS 30 1.913 1.155 2.273 69 H TRP 31 H TRP 31 1.110 1.795 6.602 70 HA TRP 31 HA TRP 31 3.619 0.484 6.720 71 1HB TRP 31 1HB TRP 31 2.042 1.915 8.463 72 2HB TRP 31 2HB TRP 31 1.942 0.314 9.166 73 HD1 TRP 31 HD1 TRP 31 4.655 -0.845 9.267 74 HE1 TRP 31 HE1 TRP 31 6.716 0.267 10.319 75 HE3 TRP 31 HE3 TRP 31 3.106 4.044 9.128 76 HZ2 TRP 31 HZ2 TRP 31 7.586 2.932 11.008 77 HZ3 TRP 31 HZ3 TRP 31 4.568 5.848 10.015 78 HH2 TRP 31 HH2 TRP 31 6.805 5.306 10.957 79 H LYS 32 H LYS 32 0.388 -0.848 7.227 80 HA LYS 32 HA LYS 32 1.078 -3.651 7.565 81 1HB LYS 32 1HB LYS 32 -1.061 -2.624 8.250 82 2HB LYS 32 2HB LYS 32 -1.389 -2.157 6.587 83 1HG LYS 32 1HG LYS 32 -1.474 -4.673 6.017 84 2HG LYS 32 2HG LYS 32 -1.368 -4.964 7.760 85 1HD LYS 32 1HD LYS 32 -3.705 -5.002 7.204 86 2HD LYS 32 2HD LYS 32 -3.411 -3.463 8.023 87 1HE LYS 32 1HE LYS 32 -2.993 -2.637 5.479 88 2HE LYS 32 2HE LYS 32 -3.994 -4.034 5.101 89 1HZ LYS 32 1HZ LYS 32 -4.753 -1.844 6.964 90 2HZ LYS 32 2HZ LYS 32 -5.231 -1.916 5.409 91 3HZ LYS 32 3HZ LYS 32 -5.746 -3.070 6.480 92 H CYS 33 H CYS 33 0.277 -1.631 4.806 93 HA CYS 33 HA CYS 33 -0.162 -3.598 2.823 94 1HB CYS 33 1HB CYS 33 -1.018 -1.261 2.982 95 2HB CYS 33 2HB CYS 33 0.619 -0.658 2.685 96 H GLY 34 H GLY 34 2.723 -1.685 3.615 97 1HA GLY 34 2HA GLY 34 4.412 -3.202 1.659 98 2HA GLY 34 1HA GLY 34 4.787 -3.249 3.379 99 H LYS 35 H LYS 35 3.968 -0.224 3.504 100 HA LYS 35 HA LYS 35 5.458 1.403 1.833 101 1HB LYS 35 1HB LYS 35 3.788 2.124 3.417 102 2HB LYS 35 2HB LYS 35 4.816 1.753 4.784 103 1HG LYS 35 1HG LYS 35 5.822 3.710 2.706 104 2HG LYS 35 2HG LYS 35 4.485 4.227 3.710 105 1HD LYS 35 1HD LYS 35 7.143 3.250 4.837 106 2HD LYS 35 2HD LYS 35 6.696 4.940 4.578 107 1HE LYS 35 1HE LYS 35 4.753 4.665 6.109 108 2HE LYS 35 2HE LYS 35 5.214 2.986 6.399 109 1HZ LYS 35 2HZ LYS 35 7.332 3.797 7.315 110 2HZ LYS 35 3HZ LYS 35 6.885 5.351 7.067 111 3HZ LYS 35 1HZ LYS 35 6.071 4.425 8.141 112 H THR 36 H THR 36 6.862 -0.636 4.242 113 HA THR 36 HA THR 36 9.444 0.523 4.583 114 HB THR 36 HB THR 36 10.140 -1.841 5.043 115 HG1 THR 36 HG1 THR 36 8.524 -3.406 4.993 116 1HG2 THR 36 3HG2 THR 36 9.105 -0.419 6.826 117 2HG2 THR 36 1HG2 THR 36 7.508 -1.066 6.393 118 3HG2 THR 36 2HG2 THR 36 8.765 -2.145 7.032 119 H GLY 37 H GLY 37 8.079 -1.042 1.735 120 1HA GLY 37 2HA GLY 37 10.440 -1.783 0.364 121 2HA GLY 37 1HA GLY 37 10.251 -0.049 0.132 122 H HIS 38 H HIS 38 7.086 -1.161 0.183 123 HA HIS 38 HA HIS 38 6.911 -2.458 -2.358 124 1HB HIS 38 1HB HIS 38 4.627 -2.570 -2.005 125 2HB HIS 38 2HB HIS 38 5.324 -2.693 -0.413 126 HD1 HIS 38 HD1 HIS 38 5.359 0.912 -0.875 127 HD2 HIS 38 HD2 HIS 38 2.370 -2.017 -0.464 128 HE1 HIS 38 HE1 HIS 38 3.243 2.139 -0.160 129 H VAL 39 H VAL 39 5.055 -1.627 -3.871 130 HA VAL 39 HA VAL 39 5.399 1.186 -4.733 131 HB VAL 39 HB VAL 39 7.100 -0.139 -5.914 132 1HG1 VAL 39 1HG1 VAL 39 4.799 -1.806 -7.011 133 2HG1 VAL 39 2HG1 VAL 39 6.479 -1.855 -7.579 134 3HG1 VAL 39 3HG1 VAL 39 6.092 -2.365 -5.934 135 1HG2 VAL 39 1HG2 VAL 39 6.018 1.772 -7.079 136 2HG2 VAL 39 2HG2 VAL 39 6.653 0.528 -8.162 137 3HG2 VAL 39 3HG2 VAL 39 4.912 0.624 -7.880 138 H MET 40 H MET 40 3.642 1.876 -6.168 139 HA MET 40 HA MET 40 1.067 1.062 -5.356 140 1HB MET 40 1HB MET 40 1.948 2.594 -7.825 141 2HB MET 40 2HB MET 40 0.265 2.412 -7.304 142 1HG MET 40 1HG MET 40 0.804 3.453 -5.130 143 2HG MET 40 2HG MET 40 2.476 3.687 -5.649 144 1HE MET 40 1HE MET 40 2.308 6.230 -4.963 145 2HE MET 40 2HE MET 40 1.040 7.331 -5.546 146 3HE MET 40 3HE MET 40 0.617 5.985 -4.464 147 H ALA 41 H ALA 41 2.990 -0.238 -8.012 148 HA ALA 41 HA ALA 41 0.948 -1.735 -9.323 149 1HB ALA 41 3HB ALA 41 3.162 -1.236 -10.293 150 2HB ALA 41 1HB ALA 41 3.935 -2.305 -9.100 151 3HB ALA 41 2HB ALA 41 2.816 -2.974 -10.302 152 H LYS 42 H LYS 42 2.498 -2.312 -6.240 153 HA LYS 42 HA LYS 42 1.259 -5.039 -6.017 154 1HB LYS 42 1HB LYS 42 3.669 -4.799 -5.401 155 2HB LYS 42 2HB LYS 42 3.240 -3.592 -4.200 156 1HG LYS 42 1HG LYS 42 1.589 -5.844 -3.606 157 2HG LYS 42 2HG LYS 42 3.146 -6.523 -4.056 158 1HD LYS 42 1HD LYS 42 4.278 -5.134 -2.354 159 2HD LYS 42 2HD LYS 42 2.734 -4.355 -1.941 160 1HE LYS 42 1HE LYS 42 1.808 -6.616 -1.335 161 2HE LYS 42 2HE LYS 42 3.397 -7.320 -1.650 162 1HZ LYS 42 1HZ LYS 42 4.293 -5.892 0.129 163 2HZ LYS 42 2HZ LYS 42 2.798 -5.287 0.456 164 3HZ LYS 42 3HZ LYS 42 3.122 -6.866 0.700 165 H CYS 43 H CYS 43 1.621 -2.057 -4.157 166 HA CYS 43 HA CYS 43 0.574 -1.897 -1.980 167 1HB CYS 43 1HB CYS 43 0.915 -0.021 -3.530 168 2HB CYS 43 2HB CYS 43 -0.752 -0.208 -4.109 169 HA PRO 44 HA PRO 44 -3.126 -4.733 -2.098 170 1HB PRO 44 1HB PRO 44 -2.147 -4.765 0.769 171 2HB PRO 44 2HB PRO 44 -2.933 -6.082 -0.163 172 1HG PRO 44 1HG PRO 44 -0.244 -6.041 0.090 173 2HG PRO 44 2HG PRO 44 -0.975 -6.385 -1.513 174 1HD PRO 44 1HD PRO 44 0.248 -3.827 -0.511 175 2HD PRO 44 2HD PRO 44 0.355 -4.575 -2.115 176 H GLU 45 H GLU 45 -2.435 -1.963 0.090 177 HA GLU 45 HA GLU 45 -4.991 -1.645 1.237 178 1HB GLU 45 1HB GLU 45 -2.663 0.119 0.714 179 2HB GLU 45 2HB GLU 45 -4.181 0.977 0.788 180 1HG GLU 45 1HG GLU 45 -3.207 -0.941 2.941 181 2HG GLU 45 2HG GLU 45 -3.011 0.815 2.989 182 H ARG 46 H ARG 46 -4.063 -0.921 -2.102 183 HA ARG 46 HA ARG 46 -6.331 0.685 -2.798 184 1HB ARG 46 1HB ARG 46 -5.582 0.493 -4.994 185 2HB ARG 46 2HB ARG 46 -4.105 0.268 -4.056 186 1HG ARG 46 1HG ARG 46 -4.689 -2.300 -4.243 187 2HG ARG 46 2HG ARG 46 -5.782 -1.769 -5.529 188 1HD ARG 46 1HD ARG 46 -3.894 -0.835 -6.788 189 2HD ARG 46 2HD ARG 46 -2.782 -1.331 -5.488 190 HE ARG 46 HE ARG 46 -4.453 -3.526 -6.397 191 1HH1 ARG 46 1HH2 ARG 46 -1.420 -1.928 -7.252 192 2HH1 ARG 46 2HH2 ARG 46 -0.830 -3.410 -7.980 193 1HH2 ARG 46 1HH1 ARG 46 -3.646 -5.236 -7.300 194 2HH2 ARG 46 2HH1 ARG 46 -2.060 -5.228 -8.045 195 H GLN 47 H GLN 47 -6.221 -2.654 -2.080 196 HA GLN 47 HA GLN 47 -8.963 -3.150 -3.202 197 1HB GLN 47 1HB GLN 47 -6.434 -4.826 -3.237 198 2HB GLN 47 2HB GLN 47 -8.021 -5.590 -3.338 199 1HG GLN 47 1HG GLN 47 -8.578 -4.486 -5.377 200 2HG GLN 47 2HG GLN 47 -7.219 -3.381 -5.253 201 1HE2 GLN 47 2HE2 GLN 47 -8.032 -6.853 -5.779 202 2HE2 GLN 47 1HE2 GLN 47 -6.533 -7.196 -6.630 203 H ALA 48 H ALA 48 -6.885 -3.441 -0.386 204 HA ALA 48 HA ALA 48 -8.487 -5.301 1.097 205 1HB ALA 48 2HB ALA 48 -6.414 -3.267 2.025 206 2HB ALA 48 3HB ALA 48 -6.979 -4.686 2.930 207 3HB ALA 48 1HB ALA 48 -6.063 -4.907 1.430 208 H GLY 49 H GLY 49 -10.394 -3.589 0.179 209 1HA GLY 49 2HA GLY 49 -11.712 -2.420 2.509 210 2HA GLY 49 1HA GLY 49 -12.250 -2.331 0.825 No H/Q in entry = 210 Start of MODEL 29 1 H1 ARG 23 2H ARG 23 -8.682 -2.848 2.104 2 H2 ARG 23 1H ARG 23 -8.788 -4.019 0.992 3 H3 ARG 23 3H ARG 23 -7.414 -3.131 1.094 4 HA ARG 23 HA ARG 23 -8.577 -2.429 -0.806 5 1HB ARG 23 1HB ARG 23 -10.854 -1.638 -0.797 6 2HB ARG 23 2HB ARG 23 -10.734 -3.296 -0.252 7 1HG ARG 23 1HG ARG 23 -10.845 -2.269 2.189 8 2HG ARG 23 2HG ARG 23 -11.387 -0.804 1.361 9 1HD ARG 23 1HD ARG 23 -13.330 -2.020 2.052 10 2HD ARG 23 2HD ARG 23 -13.218 -2.181 0.289 11 HE ARG 23 HE ARG 23 -11.848 -4.381 1.530 12 1HH1 ARG 23 2HH2 ARG 23 -15.161 -3.320 1.070 13 2HH1 ARG 23 1HH2 ARG 23 -15.778 -4.947 1.174 14 1HH2 ARG 23 2HH1 ARG 23 -12.666 -6.377 1.651 15 2HH2 ARG 23 1HH1 ARG 23 -14.392 -6.647 1.500 16 H ALA 24 H ALA 24 -8.617 -0.730 2.378 17 HA ALA 24 HA ALA 24 -7.937 1.793 0.921 18 1HB ALA 24 1HB ALA 24 -9.864 1.386 3.236 19 2HB ALA 24 3HB ALA 24 -10.294 1.724 1.545 20 3HB ALA 24 2HB ALA 24 -9.423 2.939 2.496 21 HA PRO 25 HA PRO 25 -4.728 1.251 4.236 22 1HB PRO 25 1HB PRO 25 -2.468 1.405 2.780 23 2HB PRO 25 2HB PRO 25 -3.447 -0.084 2.857 24 1HG PRO 25 1HG PRO 25 -3.486 2.045 0.694 25 2HG PRO 25 2HG PRO 25 -3.350 0.266 0.503 26 1HD PRO 25 1HD PRO 25 -5.737 1.627 0.298 27 2HD PRO 25 2HD PRO 25 -5.632 -0.042 0.926 28 H ARG 26 H ARG 26 -5.806 3.781 2.276 29 HA ARG 26 HA ARG 26 -4.050 5.937 2.798 30 1HB ARG 26 1HB ARG 26 -6.034 6.002 1.319 31 2HB ARG 26 2HB ARG 26 -7.103 5.917 2.725 32 1HG ARG 26 1HG ARG 26 -6.236 8.086 3.540 33 2HG ARG 26 2HG ARG 26 -5.111 8.176 2.178 34 1HD ARG 26 1HD ARG 26 -8.148 8.043 1.923 35 2HD ARG 26 2HD ARG 26 -7.214 9.548 1.960 36 HE ARG 26 HE ARG 26 -6.081 7.967 -0.077 37 1HH1 ARG 26 2HH1 ARG 26 -9.148 9.568 0.471 38 2HH1 ARG 26 1HH1 ARG 26 -9.436 9.802 -1.232 39 1HH2 ARG 26 2HH2 ARG 26 -6.512 8.292 -2.235 40 2HH2 ARG 26 1HH2 ARG 26 -7.976 9.097 -2.717 41 H ARG 27 H ARG 27 -6.410 4.456 4.957 42 HA ARG 27 HA ARG 27 -6.195 6.224 7.200 43 1HB ARG 27 1HB ARG 27 -7.401 4.559 8.380 44 2HB ARG 27 2HB ARG 27 -7.959 4.442 6.711 45 1HG ARG 27 1HG ARG 27 -6.193 2.552 6.440 46 2HG ARG 27 2HG ARG 27 -6.043 2.605 8.201 47 1HD ARG 27 1HD ARG 27 -8.583 2.255 8.287 48 2HD ARG 27 2HD ARG 27 -8.494 1.852 6.567 49 HE ARG 27 HE ARG 27 -7.732 0.199 8.817 50 1HH1 ARG 27 1HH1 ARG 27 -6.849 0.659 5.414 51 2HH1 ARG 27 2HH1 ARG 27 -5.907 -0.851 5.465 52 1HH2 ARG 27 1HH2 ARG 27 -6.571 -1.743 8.593 53 2HH2 ARG 27 2HH2 ARG 27 -5.807 -2.052 7.027 54 H GLN 28 H GLN 28 -3.821 4.192 5.977 55 HA GLN 28 HA GLN 28 -2.430 3.699 8.580 56 1HB GLN 28 1HB GLN 28 -3.723 1.830 7.389 57 2HB GLN 28 2HB GLN 28 -2.595 2.011 6.055 58 1HG GLN 28 1HG GLN 28 -0.742 1.429 7.807 59 2HG GLN 28 2HG GLN 28 -2.088 0.897 8.819 60 1HE2 GLN 28 1HE2 GLN 28 -3.386 -0.955 8.005 61 2HE2 GLN 28 2HE2 GLN 28 -2.808 -1.924 6.653 62 H GLY 29 H GLY 29 -2.116 5.216 5.497 63 1HA GLY 29 2HA GLY 29 0.646 5.915 5.665 64 2HA GLY 29 1HA GLY 29 -0.362 5.945 4.210 65 H CYS 30 H CYS 30 -0.988 3.143 4.152 66 HA CYS 30 HA CYS 30 -0.310 1.069 3.671 67 1HB CYS 30 1HB CYS 30 1.710 2.764 2.181 68 2HB CYS 30 2HB CYS 30 1.744 1.011 2.061 69 H TRP 31 H TRP 31 1.128 2.282 6.236 70 HA TRP 31 HA TRP 31 3.706 1.189 6.281 71 1HB TRP 31 1HB TRP 31 2.419 2.877 7.856 72 2HB TRP 31 2HB TRP 31 2.196 1.451 8.858 73 HD1 TRP 31 HD1 TRP 31 4.544 0.288 9.739 74 HE1 TRP 31 HE1 TRP 31 6.854 1.297 10.226 75 HE3 TRP 31 HE3 TRP 31 4.059 4.700 7.174 76 HZ2 TRP 31 HZ2 TRP 31 8.315 3.698 9.571 77 HZ3 TRP 31 HZ3 TRP 31 5.923 6.347 7.153 78 HH2 TRP 31 HH2 TRP 31 8.054 5.852 8.330 79 H LYS 32 H LYS 32 0.793 -0.611 6.646 80 HA LYS 32 HA LYS 32 2.347 -3.083 7.362 81 1HB LYS 32 1HB LYS 32 0.367 -2.256 8.884 82 2HB LYS 32 2HB LYS 32 -0.652 -2.811 7.561 83 1HG LYS 32 1HG LYS 32 1.039 -5.018 8.006 84 2HG LYS 32 2HG LYS 32 0.870 -4.320 9.600 85 1HD LYS 32 1HD LYS 32 -0.983 -5.586 9.737 86 2HD LYS 32 2HD LYS 32 -1.772 -4.309 8.831 87 1HE LYS 32 1HE LYS 32 -0.582 -6.910 7.757 88 2HE LYS 32 2HE LYS 32 -2.294 -6.518 7.914 89 1HZ LYS 32 3HZ LYS 32 -1.948 -4.742 6.225 90 2HZ LYS 32 1HZ LYS 32 -0.382 -5.244 6.035 91 3HZ LYS 32 2HZ LYS 32 -1.616 -6.233 5.648 92 H CYS 33 H CYS 33 0.304 -1.532 4.972 93 HA CYS 33 HA CYS 33 -0.227 -3.700 3.209 94 1HB CYS 33 1HB CYS 33 -1.164 -1.407 3.067 95 2HB CYS 33 2HB CYS 33 0.448 -0.770 2.732 96 H GLY 34 H GLY 34 2.590 -1.550 3.506 97 1HA GLY 34 2HA GLY 34 4.279 -3.260 1.754 98 2HA GLY 34 1HA GLY 34 4.648 -3.235 3.476 99 H LYS 35 H LYS 35 3.862 -0.149 3.399 100 HA LYS 35 HA LYS 35 5.477 1.212 1.578 101 1HB LYS 35 1HB LYS 35 3.688 2.068 3.252 102 2HB LYS 35 2HB LYS 35 5.008 2.242 4.391 103 1HG LYS 35 1HG LYS 35 5.880 3.504 1.957 104 2HG LYS 35 2HG LYS 35 4.182 3.878 2.091 105 1HD LYS 35 1HD LYS 35 5.415 5.658 3.125 106 2HD LYS 35 2HD LYS 35 4.545 4.787 4.378 107 1HE LYS 35 1HE LYS 35 6.743 5.352 5.184 108 2HE LYS 35 2HE LYS 35 6.627 3.601 5.033 109 1HZ LYS 35 3HZ LYS 35 7.911 5.370 3.010 110 2HZ LYS 35 1HZ LYS 35 8.727 4.535 4.149 111 3HZ LYS 35 2HZ LYS 35 7.909 3.723 2.997 112 H THR 36 H THR 36 6.710 -0.619 4.176 113 HA THR 36 HA THR 36 9.276 0.595 4.608 114 HB THR 36 HB THR 36 9.928 -1.733 5.280 115 HG1 THR 36 HG1 THR 36 8.300 -3.289 5.273 116 1HG2 THR 36 1HG2 THR 36 8.822 -0.172 6.899 117 2HG2 THR 36 2HG2 THR 36 7.242 -0.843 6.439 118 3HG2 THR 36 3HG2 THR 36 8.458 -1.876 7.220 119 H GLY 37 H GLY 37 8.004 -1.147 1.832 120 1HA GLY 37 2HA GLY 37 10.356 -2.062 0.593 121 2HA GLY 37 1HA GLY 37 10.290 -0.333 0.262 122 H HIS 38 H HIS 38 7.065 -1.454 0.284 123 HA HIS 38 HA HIS 38 6.944 -2.693 -2.291 124 1HB HIS 38 1HB HIS 38 4.669 -2.837 -1.982 125 2HB HIS 38 2HB HIS 38 5.305 -2.934 -0.363 126 HD1 HIS 38 HD1 HIS 38 5.187 0.701 -1.107 127 HD2 HIS 38 HD2 HIS 38 2.432 -2.358 -0.282 128 HE1 HIS 38 HE1 HIS 38 3.012 1.852 -0.440 129 H VAL 39 H VAL 39 5.282 -1.841 -3.948 130 HA VAL 39 HA VAL 39 5.702 1.055 -4.582 131 HB VAL 39 HB VAL 39 5.708 -1.226 -6.603 132 1HG1 VAL 39 3HG1 VAL 39 6.257 1.762 -6.924 133 2HG1 VAL 39 1HG1 VAL 39 6.480 0.535 -8.186 134 3HG1 VAL 39 2HG1 VAL 39 4.865 0.873 -7.587 135 1HG2 VAL 39 3HG2 VAL 39 8.031 0.468 -5.579 136 2HG2 VAL 39 1HG2 VAL 39 7.824 -1.285 -5.357 137 3HG2 VAL 39 2HG2 VAL 39 8.101 -0.637 -6.971 138 H MET 40 H MET 40 3.929 2.098 -5.438 139 HA MET 40 HA MET 40 1.364 1.319 -4.687 140 1HB MET 40 1HB MET 40 0.561 3.219 -5.952 141 2HB MET 40 2HB MET 40 2.054 3.619 -5.107 142 1HG MET 40 1HG MET 40 3.317 3.285 -7.259 143 2HG MET 40 2HG MET 40 1.788 2.939 -8.066 144 1HE MET 40 2HE MET 40 4.176 5.608 -6.575 145 2HE MET 40 3HE MET 40 3.196 7.088 -6.562 146 3HE MET 40 1HE MET 40 2.846 5.790 -5.405 147 H ALA 41 H ALA 41 2.999 0.341 -7.593 148 HA ALA 41 HA ALA 41 0.706 -0.516 -9.118 149 1HB ALA 41 3HB ALA 41 2.900 0.068 -10.100 150 2HB ALA 41 1HB ALA 41 3.653 -1.305 -9.251 151 3HB ALA 41 2HB ALA 41 2.433 -1.591 -10.511 152 H LYS 42 H LYS 42 2.164 -1.898 -6.311 153 HA LYS 42 HA LYS 42 0.776 -4.502 -6.834 154 1HB LYS 42 1HB LYS 42 3.273 -4.668 -7.071 155 2HB LYS 42 2HB LYS 42 3.435 -4.127 -5.400 156 1HG LYS 42 1HG LYS 42 3.665 -6.518 -5.443 157 2HG LYS 42 2HG LYS 42 2.157 -6.145 -4.644 158 1HD LYS 42 1HD LYS 42 1.388 -6.485 -7.359 159 2HD LYS 42 2HD LYS 42 2.708 -7.617 -7.153 160 1HE LYS 42 1HE LYS 42 0.760 -8.845 -6.648 161 2HE LYS 42 2HE LYS 42 1.515 -8.510 -5.087 162 1HZ LYS 42 1HZ LYS 42 -0.092 -6.626 -4.855 163 2HZ LYS 42 2HZ LYS 42 -0.793 -7.012 -6.256 164 3HZ LYS 42 3HZ LYS 42 -0.869 -8.067 -5.007 165 H CYS 43 H CYS 43 1.665 -2.148 -4.388 166 HA CYS 43 HA CYS 43 0.877 -2.079 -2.123 167 1HB CYS 43 1HB CYS 43 0.235 -0.464 -4.017 168 2HB CYS 43 2HB CYS 43 -1.376 -1.185 -3.921 169 HA PRO 44 HA PRO 44 -1.486 -6.085 -2.179 170 1HB PRO 44 1HB PRO 44 -0.362 -6.144 0.633 171 2HB PRO 44 2HB PRO 44 -0.587 -7.501 -0.518 172 1HG PRO 44 1HG PRO 44 1.849 -6.369 -0.247 173 2HG PRO 44 2HG PRO 44 1.221 -6.721 -1.892 174 1HD PRO 44 1HD PRO 44 1.241 -4.092 -0.409 175 2HD PRO 44 2HD PRO 44 1.669 -4.425 -2.111 176 H GLU 45 H GLU 45 -1.679 -3.762 0.587 177 HA GLU 45 HA GLU 45 -4.340 -4.802 1.308 178 1HB GLU 45 1HB GLU 45 -2.385 -3.890 2.867 179 2HB GLU 45 2HB GLU 45 -3.196 -2.345 2.576 180 1HG GLU 45 1HG GLU 45 -5.359 -3.516 3.320 181 2HG GLU 45 2HG GLU 45 -4.365 -4.902 3.760 182 H ARG 46 H ARG 46 -3.332 -2.662 -1.073 183 HA ARG 46 HA ARG 46 -6.001 -1.297 -1.117 184 1HB ARG 46 1HB ARG 46 -3.806 -0.066 -1.731 185 2HB ARG 46 2HB ARG 46 -3.833 -1.015 -3.223 186 1HG ARG 46 1HG ARG 46 -6.169 -0.109 -3.660 187 2HG ARG 46 2HG ARG 46 -6.024 0.840 -2.178 188 1HD ARG 46 1HD ARG 46 -5.521 2.347 -3.891 189 2HD ARG 46 2HD ARG 46 -3.958 1.938 -3.197 190 HE ARG 46 HE ARG 46 -5.101 0.940 -5.796 191 1HH1 ARG 46 2HH2 ARG 46 -2.166 1.305 -3.859 192 2HH1 ARG 46 1HH2 ARG 46 -1.178 1.037 -5.273 193 1HH2 ARG 46 2HH1 ARG 46 -3.663 0.576 -7.482 194 2HH2 ARG 46 1HH1 ARG 46 -1.942 0.629 -7.144 195 H GLN 47 H GLN 47 -3.972 -3.559 -2.981 196 HA GLN 47 HA GLN 47 -6.027 -4.162 -4.925 197 1HB GLN 47 1HB GLN 47 -3.374 -5.513 -4.280 198 2HB GLN 47 2HB GLN 47 -4.416 -5.931 -5.653 199 1HG GLN 47 1HG GLN 47 -4.293 -3.543 -6.429 200 2HG GLN 47 2HG GLN 47 -3.125 -3.212 -5.152 201 1HE2 GLN 47 1HE2 GLN 47 -2.175 -2.527 -7.445 202 2HE2 GLN 47 2HE2 GLN 47 -1.056 -3.710 -8.104 203 H ALA 48 H ALA 48 -5.463 -5.467 -1.754 204 HA ALA 48 HA ALA 48 -7.791 -7.267 -2.105 205 1HB ALA 48 1HB ALA 48 -6.611 -9.093 -0.943 206 2HB ALA 48 3HB ALA 48 -5.136 -8.108 -0.851 207 3HB ALA 48 2HB ALA 48 -5.750 -8.655 -2.427 208 H GLY 49 H GLY 49 -8.468 -8.122 0.119 209 1HA GLY 49 2HA GLY 49 -8.047 -6.219 2.387 210 2HA GLY 49 1HA GLY 49 -8.731 -7.838 2.482 No H/Q in entry = 210 Start of MODEL 30 1 H1 ARG 23 2H ARG 23 -7.274 2.421 -2.538 2 H2 ARG 23 1H ARG 23 -8.852 2.351 -2.105 3 H3 ARG 23 3H ARG 23 -8.392 1.922 -3.621 4 HA ARG 23 HA ARG 23 -7.851 4.126 -4.239 5 1HB ARG 23 1HB ARG 23 -10.556 3.864 -2.887 6 2HB ARG 23 2HB ARG 23 -10.038 5.382 -3.564 7 1HG ARG 23 1HG ARG 23 -11.454 4.212 -5.119 8 2HG ARG 23 2HG ARG 23 -9.860 4.518 -5.786 9 1HD ARG 23 1HD ARG 23 -10.835 2.337 -6.431 10 2HD ARG 23 2HD ARG 23 -9.260 2.189 -5.651 11 HE ARG 23 HE ARG 23 -11.053 1.890 -3.545 12 1HH1 ARG 23 2HH2 ARG 23 -10.797 0.109 -6.566 13 2HH1 ARG 23 1HH2 ARG 23 -11.358 -1.352 -5.795 14 1HH2 ARG 23 2HH1 ARG 23 -11.509 0.124 -2.675 15 2HH2 ARG 23 1HH1 ARG 23 -11.602 -1.398 -3.552 16 H ALA 24 H ALA 24 -8.428 3.965 -0.679 17 HA ALA 24 HA ALA 24 -7.126 6.661 -0.483 18 1HB ALA 24 3HB ALA 24 -9.532 6.739 -0.135 19 2HB ALA 24 1HB ALA 24 -9.414 5.514 1.143 20 3HB ALA 24 2HB ALA 24 -8.659 7.107 1.361 21 HA PRO 25 HA PRO 25 -4.606 3.534 1.989 22 1HB PRO 25 1HB PRO 25 -2.115 4.192 1.015 23 2HB PRO 25 2HB PRO 25 -3.214 3.014 0.235 24 1HG PRO 25 1HG PRO 25 -2.833 5.941 -0.439 25 2HG PRO 25 2HG PRO 25 -2.847 4.536 -1.556 26 1HD PRO 25 1HD PRO 25 -5.050 6.057 -1.190 27 2HD PRO 25 2HD PRO 25 -5.182 4.278 -1.350 28 H ARG 26 H ARG 26 -4.577 6.997 1.695 29 HA ARG 26 HA ARG 26 -2.607 7.734 3.574 30 1HB ARG 26 1HB ARG 26 -3.579 9.880 3.578 31 2HB ARG 26 2HB ARG 26 -3.820 9.226 1.978 32 1HG ARG 26 1HG ARG 26 -5.984 9.762 2.131 33 2HG ARG 26 2HG ARG 26 -6.199 8.502 3.332 34 1HD ARG 26 1HD ARG 26 -5.553 11.441 3.836 35 2HD ARG 26 2HD ARG 26 -7.094 10.627 4.120 36 HE ARG 26 HE ARG 26 -4.637 9.737 5.586 37 1HH1 ARG 26 1HH2 ARG 26 -7.779 11.265 5.904 38 2HH1 ARG 26 2HH2 ARG 26 -7.788 11.036 7.632 39 1HH2 ARG 26 1HH1 ARG 26 -4.726 9.452 7.715 40 2HH2 ARG 26 2HH1 ARG 26 -6.078 10.052 8.638 41 H ARG 27 H ARG 27 -5.582 6.168 4.281 42 HA ARG 27 HA ARG 27 -5.867 6.789 7.082 43 1HB ARG 27 1HB ARG 27 -7.248 4.800 7.167 44 2HB ARG 27 2HB ARG 27 -7.597 5.696 5.688 45 1HG ARG 27 1HG ARG 27 -6.075 4.103 4.437 46 2HG ARG 27 2HG ARG 27 -5.891 3.166 5.922 47 1HD ARG 27 1HD ARG 27 -8.167 2.521 5.953 48 2HD ARG 27 2HD ARG 27 -8.623 3.756 4.778 49 HE ARG 27 HE ARG 27 -6.863 1.392 4.115 50 1HH1 ARG 27 1HH2 ARG 27 -9.270 3.733 2.986 51 2HH1 ARG 27 2HH2 ARG 27 -9.328 2.935 1.412 52 1HH2 ARG 27 1HH1 ARG 27 -7.217 0.437 2.138 53 2HH2 ARG 27 2HH1 ARG 27 -8.176 1.328 0.935 54 H GLN 28 H GLN 28 -3.518 4.876 5.441 55 HA GLN 28 HA GLN 28 -2.532 3.645 7.992 56 1HB GLN 28 1HB GLN 28 -3.816 2.234 6.186 57 2HB GLN 28 2HB GLN 28 -2.364 2.435 5.211 58 1HG GLN 28 1HG GLN 28 -1.165 1.482 7.411 59 2HG GLN 28 2HG GLN 28 -2.789 0.910 7.786 60 1HE2 GLN 28 2HE2 GLN 28 -3.810 -0.109 5.397 61 2HE2 GLN 28 1HE2 GLN 28 -2.691 -1.341 4.845 62 H GLY 29 H GLY 29 -1.659 5.412 5.073 63 1HA GLY 29 2HA GLY 29 1.130 5.798 5.717 64 2HA GLY 29 1HA GLY 29 0.344 6.072 4.153 65 H CYS 30 H CYS 30 -0.655 3.303 4.013 66 HA CYS 30 HA CYS 30 -0.206 1.149 3.670 67 1HB CYS 30 1HB CYS 30 1.751 2.670 1.952 68 2HB CYS 30 2HB CYS 30 1.664 0.903 1.864 69 H TRP 31 H TRP 31 1.394 2.154 6.118 70 HA TRP 31 HA TRP 31 3.945 0.971 5.999 71 1HB TRP 31 1HB TRP 31 2.982 2.748 7.593 72 2HB TRP 31 2HB TRP 31 2.455 1.396 8.590 73 HD1 TRP 31 HD1 TRP 31 4.193 0.779 10.376 74 HE1 TRP 31 HE1 TRP 31 6.733 0.995 10.695 75 HE3 TRP 31 HE3 TRP 31 5.398 2.922 5.879 76 HZ2 TRP 31 HZ2 TRP 31 9.003 1.932 9.174 77 HZ3 TRP 31 HZ3 TRP 31 7.767 3.423 5.321 78 HH2 TRP 31 HH2 TRP 31 9.573 2.939 6.957 79 H LYS 32 H LYS 32 1.014 -0.726 6.414 80 HA LYS 32 HA LYS 32 2.477 -3.254 7.130 81 1HB LYS 32 1HB LYS 32 0.760 -2.492 8.772 82 2HB LYS 32 2HB LYS 32 -0.466 -2.570 7.499 83 1HG LYS 32 1HG LYS 32 -0.099 -5.014 7.282 84 2HG LYS 32 2HG LYS 32 1.215 -4.929 8.464 85 1HD LYS 32 1HD LYS 32 -0.764 -5.788 9.541 86 2HD LYS 32 2HD LYS 32 -0.410 -4.183 10.199 87 1HE LYS 32 1HE LYS 32 -2.152 -3.194 8.722 88 2HE LYS 32 2HE LYS 32 -2.470 -4.787 8.022 89 1HZ LYS 32 3HZ LYS 32 -3.180 -5.539 10.230 90 2HZ LYS 32 1HZ LYS 32 -2.883 -4.069 10.878 91 3HZ LYS 32 2HZ LYS 32 -4.068 -4.251 9.770 92 H CYS 33 H CYS 33 0.231 -1.718 4.903 93 HA CYS 33 HA CYS 33 -0.342 -3.728 3.021 94 1HB CYS 33 1HB CYS 33 -1.263 -1.431 3.178 95 2HB CYS 33 2HB CYS 33 0.311 -0.769 2.740 96 H GLY 34 H GLY 34 2.568 -1.730 3.402 97 1HA GLY 34 2HA GLY 34 4.138 -3.413 1.494 98 2HA GLY 34 1HA GLY 34 4.485 -3.496 3.219 99 H LYS 35 H LYS 35 3.812 -0.291 2.954 100 HA LYS 35 HA LYS 35 5.648 0.827 1.192 101 1HB LYS 35 1HB LYS 35 3.734 1.940 2.352 102 2HB LYS 35 2HB LYS 35 4.697 2.044 3.813 103 1HG LYS 35 1HG LYS 35 4.710 4.177 2.724 104 2HG LYS 35 2HG LYS 35 6.318 3.525 2.585 105 1HD LYS 35 1HD LYS 35 4.908 2.682 0.211 106 2HD LYS 35 2HD LYS 35 4.401 4.326 0.532 107 1HE LYS 35 1HE LYS 35 6.244 4.590 -0.879 108 2HE LYS 35 2HE LYS 35 6.878 4.946 0.728 109 1HZ LYS 35 1HZ LYS 35 7.744 2.625 0.776 110 2HZ LYS 35 2HZ LYS 35 7.223 2.391 -0.775 111 3HZ LYS 35 3HZ LYS 35 8.381 3.491 -0.454 112 H THR 36 H THR 36 6.542 -0.631 4.161 113 HA THR 36 HA THR 36 9.102 0.473 4.701 114 HB THR 36 HB THR 36 9.661 -1.855 5.453 115 HG1 THR 36 HG1 THR 36 8.012 -3.382 5.348 116 1HG2 THR 36 1HG2 THR 36 8.501 -0.283 6.981 117 2HG2 THR 36 2HG2 THR 36 6.927 -0.857 6.392 118 3HG2 THR 36 3HG2 THR 36 8.011 -1.960 7.264 119 H GLY 37 H GLY 37 8.033 -1.443 1.945 120 1HA GLY 37 2HA GLY 37 10.233 -2.273 0.587 121 2HA GLY 37 1HA GLY 37 10.457 -0.525 0.543 122 H HIS 38 H HIS 38 7.084 -1.402 0.364 123 HA HIS 38 HA HIS 38 7.044 -2.170 -2.348 124 1HB HIS 38 1HB HIS 38 4.838 -2.482 -2.194 125 2HB HIS 38 2HB HIS 38 5.312 -2.679 -0.534 126 HD1 HIS 38 HD1 HIS 38 4.765 0.979 -1.438 127 HD2 HIS 38 HD2 HIS 38 2.482 -2.385 -0.400 128 HE1 HIS 38 HE1 HIS 38 2.444 1.844 -0.840 129 H VAL 39 H VAL 39 5.866 -1.333 -4.064 130 HA VAL 39 HA VAL 39 5.647 1.632 -4.372 131 HB VAL 39 HB VAL 39 6.282 -0.479 -6.487 132 1HG1 VAL 39 2HG1 VAL 39 5.928 2.538 -6.787 133 2HG1 VAL 39 3HG1 VAL 39 6.606 1.462 -8.026 134 3HG1 VAL 39 1HG1 VAL 39 4.932 1.264 -7.542 135 1HG2 VAL 39 2HG2 VAL 39 7.979 1.807 -5.388 136 2HG2 VAL 39 3HG2 VAL 39 8.264 0.074 -5.122 137 3HG2 VAL 39 1HG2 VAL 39 8.424 0.746 -6.744 138 H MET 40 H MET 40 3.733 2.254 -5.612 139 HA MET 40 HA MET 40 1.410 1.073 -4.613 140 1HB MET 40 1HB MET 40 1.570 2.912 -7.018 141 2HB MET 40 2HB MET 40 0.175 2.646 -5.971 142 1HG MET 40 1HG MET 40 2.786 4.024 -5.286 143 2HG MET 40 2HG MET 40 1.185 4.733 -5.354 144 1HE MET 40 3HE MET 40 -0.655 4.507 -3.484 145 2HE MET 40 1HE MET 40 -0.666 2.739 -3.691 146 3HE MET 40 2HE MET 40 -0.511 3.441 -2.069 147 H ALA 41 H ALA 41 3.095 -0.027 -7.399 148 HA ALA 41 HA ALA 41 0.953 -1.367 -8.773 149 1HB ALA 41 1HB ALA 41 3.143 -0.854 -9.788 150 2HB ALA 41 2HB ALA 41 3.946 -1.954 -8.642 151 3HB ALA 41 3HB ALA 41 2.804 -2.594 -9.844 152 H LYS 42 H LYS 42 2.849 -2.253 -5.885 153 HA LYS 42 HA LYS 42 1.679 -4.989 -5.736 154 1HB LYS 42 1HB LYS 42 3.952 -4.574 -4.822 155 2HB LYS 42 2HB LYS 42 3.303 -3.359 -3.727 156 1HG LYS 42 1HG LYS 42 1.793 -5.275 -2.786 157 2HG LYS 42 2HG LYS 42 2.845 -6.369 -3.691 158 1HD LYS 42 1HD LYS 42 4.806 -5.420 -2.445 159 2HD LYS 42 2HD LYS 42 3.702 -4.395 -1.518 160 1HE LYS 42 1HE LYS 42 3.623 -7.439 -1.541 161 2HE LYS 42 2HE LYS 42 4.475 -6.472 -0.338 162 1HZ LYS 42 3HZ LYS 42 2.319 -5.474 0.305 163 2HZ LYS 42 1HZ LYS 42 1.541 -6.425 -0.790 164 3HZ LYS 42 2HZ LYS 42 2.306 -7.092 0.480 165 H CYS 43 H CYS 43 1.657 -2.216 -3.596 166 HA CYS 43 HA CYS 43 0.163 -2.122 -1.715 167 1HB CYS 43 1HB CYS 43 0.798 -0.151 -3.007 168 2HB CYS 43 2HB CYS 43 -0.631 -0.359 -4.043 169 HA PRO 44 HA PRO 44 -3.698 -4.623 -2.366 170 1HB PRO 44 1HB PRO 44 -3.123 -4.441 0.605 171 2HB PRO 44 2HB PRO 44 -3.956 -5.750 -0.297 172 1HG PRO 44 1HG PRO 44 -1.339 -6.007 0.342 173 2HG PRO 44 2HG PRO 44 -1.904 -6.464 -1.299 174 1HD PRO 44 1HD PRO 44 -0.419 -3.996 -0.445 175 2HD PRO 44 2HD PRO 44 -0.299 -4.928 -1.957 176 H GLU 45 H GLU 45 -2.949 -1.841 -0.161 177 HA GLU 45 HA GLU 45 -5.670 -1.074 0.281 178 1HB GLU 45 1HB GLU 45 -3.092 0.518 0.387 179 2HB GLU 45 2HB GLU 45 -4.648 1.180 0.872 180 1HG GLU 45 1HG GLU 45 -3.533 -1.335 2.164 181 2HG GLU 45 2HG GLU 45 -3.094 0.287 2.696 182 H ARG 46 H ARG 46 -3.820 -0.694 -2.615 183 HA ARG 46 HA ARG 46 -5.223 1.406 -3.947 184 1HB ARG 46 1HB ARG 46 -3.201 0.137 -4.739 185 2HB ARG 46 2HB ARG 46 -4.258 -1.253 -5.033 186 1HG ARG 46 1HG ARG 46 -5.513 0.101 -6.730 187 2HG ARG 46 2HG ARG 46 -4.405 1.448 -6.432 188 1HD ARG 46 1HD ARG 46 -3.733 0.214 -8.434 189 2HD ARG 46 2HD ARG 46 -2.498 0.069 -7.189 190 HE ARG 46 HE ARG 46 -4.449 -2.059 -8.029 191 1HH1 ARG 46 2HH2 ARG 46 -1.362 -1.371 -6.434 192 2HH1 ARG 46 1HH2 ARG 46 -1.236 -3.047 -5.932 193 1HH2 ARG 46 1HH1 ARG 46 -4.084 -4.117 -7.411 194 2HH2 ARG 46 2HH1 ARG 46 -2.578 -4.551 -6.619 195 H GLN 47 H GLN 47 -6.188 -1.949 -3.270 196 HA GLN 47 HA GLN 47 -8.842 -1.464 -4.592 197 1HB GLN 47 1HB GLN 47 -7.017 -3.887 -4.686 198 2HB GLN 47 2HB GLN 47 -8.712 -3.925 -5.189 199 1HG GLN 47 1HG GLN 47 -8.309 -2.208 -6.894 200 2HG GLN 47 2HG GLN 47 -6.626 -2.048 -6.381 201 1HE2 GLN 47 1HE2 GLN 47 -8.916 -4.594 -7.622 202 2HE2 GLN 47 2HE2 GLN 47 -7.653 -5.405 -8.539 203 H ALA 48 H ALA 48 -7.294 -2.740 -1.694 204 HA ALA 48 HA ALA 48 -9.579 -4.130 -0.655 205 1HB ALA 48 1HB ALA 48 -7.200 -2.857 0.766 206 2HB ALA 48 2HB ALA 48 -8.297 -4.077 1.445 207 3HB ALA 48 3HB ALA 48 -7.247 -4.497 0.078 208 H GLY 49 H GLY 49 -8.987 -0.746 -0.934 209 1HA GLY 49 2HA GLY 49 -10.331 0.464 1.234 210 2HA GLY 49 1HA GLY 49 -11.577 0.007 0.071 No H/Q in entry = 210
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