NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17204 | 2bl6 | 7352 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 22 H3 GLN 22 -8.017 -0.764 -7.344 2 H2 GLN 22 H2 GLN 22 -7.484 0.549 -6.520 3 H3 GLN 22 H1 GLN 22 -6.741 0.096 -7.915 4 HA GLN 22 HA GLN 22 -5.971 -1.942 -6.911 5 1HB GLN 22 1HB GLN 22 -5.142 0.752 -6.076 6 2HB GLN 22 2HB GLN 22 -4.796 -0.413 -4.823 7 1HG GLN 22 1HG GLN 22 -3.942 -0.712 -7.740 8 2HG GLN 22 2HG GLN 22 -2.941 -0.024 -6.465 9 1HE2 GLN 22 1HE2 GLN 22 -1.800 -2.109 -7.751 10 2HE2 GLN 22 2HE2 GLN 22 -1.879 -3.551 -6.744 11 H THR 23 H THR 23 -5.314 -2.625 -4.462 12 HA THR 23 HA THR 23 -7.879 -3.009 -2.943 13 HB THR 23 HB THR 23 -5.527 -4.908 -3.317 14 HG1 THR 23 HG1 THR 23 -6.780 -4.834 -5.145 15 1HG2 THR 23 1HG2 THR 23 -8.199 -5.380 -1.925 16 2HG2 THR 23 2HG2 THR 23 -6.970 -6.609 -2.272 17 3HG2 THR 23 3HG2 THR 23 -6.605 -5.312 -1.132 18 H CYS 24 H CYS 24 -7.767 -2.860 -0.694 19 HA CYS 24 HA CYS 24 -5.922 -1.008 0.369 20 1HB CYS 24 1HB CYS 24 -8.312 -1.602 1.100 21 2HB CYS 24 2HB CYS 24 -7.603 -2.972 1.960 22 H TYR 25 H TYR 25 -4.284 -1.134 1.886 23 HA TYR 25 HA TYR 25 -2.674 -3.529 2.146 24 1HB TYR 25 1HB TYR 25 -1.201 -2.279 3.355 25 2HB TYR 25 2HB TYR 25 -1.877 -1.082 2.274 26 HD1 TYR 25 HD1 TYR 25 -0.835 -1.657 5.543 27 HD2 TYR 25 HD2 TYR 25 -4.128 0.144 3.408 28 HE1 TYR 25 HE1 TYR 25 -1.371 -0.267 7.534 29 HE2 TYR 25 HE2 TYR 25 -4.693 1.472 5.419 30 HH TYR 25 HH TYR 25 -2.803 1.272 8.449 31 H ASN 26 H ASN 26 -5.432 -2.341 3.915 32 HA ASN 26 HA ASN 26 -4.960 -4.340 6.104 33 1HB ASN 26 1HB ASN 26 -4.123 -2.093 6.714 34 2HB ASN 26 2HB ASN 26 -5.711 -1.399 6.385 35 1HD2 ASN 26 1HD2 ASN 26 -3.922 -3.637 8.524 36 2HD2 ASN 26 2HD2 ASN 26 -5.086 -3.530 9.835 37 H CYS 27 H CYS 27 -7.489 -2.285 4.514 38 HA CYS 27 HA CYS 27 -9.687 -3.468 5.899 39 1HB CYS 27 1HB CYS 27 -9.629 -2.153 3.144 40 2HB CYS 27 2HB CYS 27 -11.048 -2.409 4.160 41 H GLY 28 H GLY 28 -7.783 -4.639 3.220 42 1HA GLY 28 2HA GLY 28 -9.171 -7.142 2.901 43 2HA GLY 28 1HA GLY 28 -7.894 -6.496 1.867 44 H LYS 29 H LYS 29 -10.039 -4.068 1.726 45 HA LYS 29 HA LYS 29 -12.038 -5.207 -0.132 46 1HB LYS 29 1HB LYS 29 -11.657 -2.611 1.359 47 2HB LYS 29 2HB LYS 29 -12.495 -2.528 -0.171 48 1HG LYS 29 1HG LYS 29 -14.120 -2.655 1.491 49 2HG LYS 29 2HG LYS 29 -14.181 -4.159 0.585 50 1HD LYS 29 1HD LYS 29 -12.655 -3.945 3.208 51 2HD LYS 29 2HD LYS 29 -14.406 -4.165 3.188 52 1HE LYS 29 1HE LYS 29 -14.230 -6.246 1.944 53 2HE LYS 29 2HE LYS 29 -12.481 -6.052 1.781 54 1HZ LYS 29 2HZ LYS 29 -13.894 -6.372 4.371 55 2HZ LYS 29 3HZ LYS 29 -13.032 -7.541 3.618 56 3HZ LYS 29 1HZ LYS 29 -12.272 -6.200 4.179 57 HA PRO 30 HA PRO 30 -10.002 -3.423 -3.837 58 1HB PRO 30 2HB PRO 30 -12.058 -3.570 -5.589 59 2HB PRO 30 1HB PRO 30 -11.263 -5.045 -4.976 60 1HG PRO 30 1HG PRO 30 -13.819 -3.760 -3.955 61 2HG PRO 30 2HG PRO 30 -13.554 -5.473 -4.421 62 1HD PRO 30 1HD PRO 30 -13.377 -4.573 -1.833 63 2HD PRO 30 2HD PRO 30 -12.377 -5.924 -2.447 64 H GLY 31 H GLY 31 -11.219 -1.616 -5.519 65 1HA GLY 31 2HA GLY 31 -12.921 0.351 -4.355 66 2HA GLY 31 1HA GLY 31 -11.838 0.601 -5.733 67 H HIS 32 H HIS 32 -9.428 -0.066 -4.179 68 HA HIS 32 HA HIS 32 -9.235 2.218 -2.270 69 1HB HIS 32 1HB HIS 32 -8.319 -0.629 -2.179 70 2HB HIS 32 2HB HIS 32 -7.229 0.576 -1.512 71 HD1 HIS 32 HD1 HIS 32 -10.904 -0.562 -0.975 72 HD2 HIS 32 HD2 HIS 32 -7.705 1.462 0.864 73 HE1 HIS 32 HE1 HIS 32 -11.607 -0.144 1.454 74 H LEU 33 H LEU 33 -7.348 3.289 -2.058 75 HA LEU 33 HA LEU 33 -5.269 3.367 -4.121 76 1HB LEU 33 1HB LEU 33 -7.369 5.561 -3.686 77 2HB LEU 33 2HB LEU 33 -5.856 5.833 -4.535 78 HG LEU 33 HG LEU 33 -8.054 3.954 -5.486 79 1HD1 LEU 33 3HD1 LEU 33 -8.700 6.323 -5.570 80 2HD1 LEU 33 1HD1 LEU 33 -7.206 6.711 -6.451 81 3HD1 LEU 33 2HD1 LEU 33 -8.441 5.667 -7.195 82 1HD2 LEU 33 3HD2 LEU 33 -5.482 4.902 -6.839 83 2HD2 LEU 33 1HD2 LEU 33 -5.820 3.243 -6.299 84 3HD2 LEU 33 2HD2 LEU 33 -6.770 3.950 -7.610 85 H SER 34 H SER 34 -3.752 5.160 -3.565 86 HA SER 34 HA SER 34 -2.888 5.386 -0.906 87 1HB SER 34 1HB SER 34 -2.465 7.304 -3.229 88 2HB SER 34 2HB SER 34 -1.419 7.124 -1.809 89 HG SER 34 HG SER 34 -0.748 5.937 -3.751 90 H SER 35 H SER 35 -5.673 6.851 -2.082 91 HA SER 35 HA SER 35 -5.694 8.965 0.030 92 1HB SER 35 1HB SER 35 -7.357 10.098 -1.421 93 2HB SER 35 2HB SER 35 -5.775 9.913 -2.203 94 HG SER 35 HG SER 35 -7.532 9.317 -3.587 95 H GLN 36 H GLN 36 -7.125 5.979 -0.935 96 HA GLN 36 HA GLN 36 -9.652 6.360 0.548 97 1HB GLN 36 1HB GLN 36 -9.325 4.849 -1.520 98 2HB GLN 36 2HB GLN 36 -8.397 3.781 -0.466 99 1HG GLN 36 1HG GLN 36 -10.566 2.861 -0.514 100 2HG GLN 36 2HG GLN 36 -10.492 3.673 1.041 101 1HE2 GLN 36 2HE2 GLN 36 -12.041 3.562 -2.123 102 2HE2 GLN 36 1HE2 GLN 36 -13.203 4.842 -1.784 103 H CYS 37 H CYS 37 -6.487 4.821 0.911 104 HA CYS 37 HA CYS 37 -6.620 4.921 3.851 105 1HB CYS 37 1HB CYS 37 -6.179 2.433 2.163 106 2HB CYS 37 2HB CYS 37 -5.385 2.591 3.718 107 H ARG 38 H ARG 38 -4.306 4.353 4.696 108 HA ARG 38 HA ARG 38 -2.488 6.326 3.830 109 1HB ARG 38 1HB ARG 38 -1.982 3.770 5.426 110 2HB ARG 38 2HB ARG 38 -0.772 5.006 5.128 111 1HG ARG 38 1HG ARG 38 -1.403 5.721 7.130 112 2HG ARG 38 2HG ARG 38 -2.551 6.664 6.199 113 1HD ARG 38 1HD ARG 38 -3.214 3.938 7.387 114 2HD ARG 38 2HD ARG 38 -3.310 5.408 8.342 115 HE ARG 38 HE ARG 38 -4.928 6.271 6.576 116 1HH1 ARG 38 1HH2 ARG 38 -4.840 2.847 7.442 117 2HH1 ARG 38 2HH2 ARG 38 -6.540 2.665 7.095 118 1HH2 ARG 38 1HH1 ARG 38 -7.085 5.915 6.201 119 2HH2 ARG 38 2HH1 ARG 38 -7.720 4.302 6.307 120 H ALA 39 H ALA 39 -2.673 2.980 2.734 121 HA ALA 39 HA ALA 39 -1.416 3.735 0.247 122 1HB ALA 39 3HB ALA 39 -0.080 1.611 1.993 123 2HB ALA 39 1HB ALA 39 0.375 1.999 0.328 124 3HB ALA 39 2HB ALA 39 0.617 3.203 1.606 125 HA PRO 40 HA PRO 40 -3.770 -0.078 -0.899 126 1HB PRO 40 2HB PRO 40 -2.706 -0.653 -3.325 127 2HB PRO 40 1HB PRO 40 -3.780 0.760 -3.074 128 1HG PRO 40 1HG PRO 40 -0.745 0.727 -3.140 129 2HG PRO 40 2HG PRO 40 -1.858 1.814 -4.030 130 1HD PRO 40 1HD PRO 40 -0.680 2.507 -1.650 131 2HD PRO 40 2HD PRO 40 -2.309 3.078 -2.107 132 H LYS 41 H LYS 41 -3.114 -2.370 -1.467 133 HA LYS 41 HA LYS 41 -1.434 -3.450 0.454 134 1HB LYS 41 1HB LYS 41 -3.339 -4.528 -0.844 135 2HB LYS 41 2HB LYS 41 -2.224 -4.775 -2.175 136 1HG LYS 41 1HG LYS 41 -2.557 -6.811 -0.880 137 2HG LYS 41 2HG LYS 41 -0.873 -6.309 -0.791 138 1HD LYS 41 1HD LYS 41 -1.226 -5.405 1.479 139 2HD LYS 41 2HD LYS 41 -2.966 -5.766 1.363 140 1HE LYS 41 1HE LYS 41 -2.440 -8.180 1.147 141 2HE LYS 41 2HE LYS 41 -0.713 -7.818 1.267 142 1HZ LYS 41 2HZ LYS 41 -2.719 -7.251 3.391 143 2HZ LYS 41 3HZ LYS 41 -1.648 -8.481 3.417 144 3HZ LYS 41 1HZ LYS 41 -1.120 -6.940 3.507 145 H VAL 42 H VAL 42 -0.310 -2.223 -2.516 146 HA VAL 42 HA VAL 42 2.189 -3.480 -2.926 147 HB VAL 42 HB VAL 42 1.481 -0.524 -3.149 148 1HG1 VAL 42 2HG1 VAL 42 3.663 -2.147 -4.518 149 2HG1 VAL 42 3HG1 VAL 42 3.218 -0.477 -4.931 150 3HG1 VAL 42 1HG1 VAL 42 3.897 -0.829 -3.346 151 1HG2 VAL 42 1HG2 VAL 42 1.240 -2.763 -5.207 152 2HG2 VAL 42 2HG2 VAL 42 -0.107 -1.860 -4.475 153 3HG2 VAL 42 3HG2 VAL 42 1.021 -1.031 -5.542 154 H CYS 43 H CYS 43 1.208 -1.208 -0.397 155 HA CYS 43 HA CYS 43 3.764 -1.521 1.057 156 1HB CYS 43 1HB CYS 43 3.922 0.384 -0.608 157 2HB CYS 43 2HB CYS 43 2.623 1.198 0.272 158 H PHE 44 H PHE 44 3.136 0.599 2.800 159 HA PHE 44 HA PHE 44 0.446 0.183 3.960 160 1HB PHE 44 1HB PHE 44 1.196 -0.252 6.152 161 2HB PHE 44 2HB PHE 44 2.057 -1.382 5.127 162 HD1 PHE 44 HD1 PHE 44 2.331 1.296 7.558 163 HD2 PHE 44 HD2 PHE 44 4.527 -0.851 4.526 164 HE1 PHE 44 HE1 PHE 44 4.465 2.150 8.496 165 HE2 PHE 44 HE2 PHE 44 6.657 0.013 5.466 166 HZ PHE 44 HZ PHE 44 6.630 1.518 7.445 167 H LYS 45 H LYS 45 3.259 2.234 3.460 168 HA LYS 45 HA LYS 45 1.730 4.638 4.242 169 1HB LYS 45 1HB LYS 45 2.698 3.788 6.368 170 2HB LYS 45 2HB LYS 45 4.317 3.861 5.666 171 1HG LYS 45 1HG LYS 45 4.089 6.331 5.429 172 2HG LYS 45 2HG LYS 45 2.443 6.236 6.090 173 1HD LYS 45 1HD LYS 45 3.362 5.313 8.210 174 2HD LYS 45 2HD LYS 45 5.004 5.412 7.537 175 1HE LYS 45 1HE LYS 45 4.735 7.872 7.267 176 2HE LYS 45 2HE LYS 45 3.105 7.769 7.945 177 1HZ LYS 45 1HZ LYS 45 4.097 6.953 10.022 178 2HZ LYS 45 2HZ LYS 45 5.604 7.058 9.394 179 3HZ LYS 45 3HZ LYS 45 4.724 8.408 9.636 180 H CYS 46 H CYS 46 5.102 3.601 3.416 181 HA CYS 46 HA CYS 46 5.748 6.156 2.338 182 1HB CYS 46 1HB CYS 46 7.862 4.730 1.625 183 2HB CYS 46 2HB CYS 46 7.551 5.216 3.287 184 H LYS 47 H LYS 47 4.734 3.197 0.737 185 HA LYS 47 HA LYS 47 4.182 2.700 -1.430 186 1HB LYS 47 1HB LYS 47 2.247 4.021 -2.097 187 2HB LYS 47 2HB LYS 47 2.273 3.666 -0.376 188 1HG LYS 47 1HG LYS 47 3.046 5.936 0.136 189 2HG LYS 47 2HG LYS 47 3.131 6.337 -1.579 190 1HD LYS 47 1HD LYS 47 0.791 6.241 -1.831 191 2HD LYS 47 2HD LYS 47 0.530 5.402 -0.294 192 1HE LYS 47 1HE LYS 47 1.701 8.214 -0.483 193 2HE LYS 47 2HE LYS 47 -0.036 7.909 -0.363 194 1HZ LYS 47 1HZ LYS 47 1.946 7.002 1.664 195 2HZ LYS 47 2HZ LYS 47 0.939 8.287 1.828 196 3HZ LYS 47 3HZ LYS 47 0.334 6.766 1.731 197 H GLN 48 H GLN 48 6.769 4.219 -1.626 198 HA GLN 48 HA GLN 48 6.638 5.774 -4.032 199 1HB GLN 48 1HB GLN 48 9.003 4.295 -2.811 200 2HB GLN 48 2HB GLN 48 9.114 5.513 -4.072 201 1HG GLN 48 1HG GLN 48 8.204 5.936 -1.201 202 2HG GLN 48 2HG GLN 48 9.689 6.499 -1.940 203 1HE2 GLN 48 2HE2 GLN 48 6.422 7.335 -1.268 204 2HE2 GLN 48 1HE2 GLN 48 6.384 8.803 -2.252 205 HA PRO 49 HA PRO 49 5.986 3.193 -7.341 206 1HB PRO 49 2HB PRO 49 8.564 4.106 -8.633 207 2HB PRO 49 1HB PRO 49 6.933 3.958 -9.362 208 1HG PRO 49 1HG PRO 49 7.806 6.369 -8.523 209 2HG PRO 49 2HG PRO 49 6.133 5.847 -8.131 210 1HD PRO 49 1HD PRO 49 8.579 5.825 -6.364 211 2HD PRO 49 2HD PRO 49 6.898 6.301 -5.987 212 H GLY 50 H GLY 50 9.220 2.494 -6.091 213 1HA GLY 50 2HA GLY 50 10.291 0.472 -7.444 214 2HA GLY 50 1HA GLY 50 8.857 -0.366 -6.853 215 H HIS 51 H HIS 51 9.610 1.688 -4.372 216 HA HIS 51 HA HIS 51 11.945 0.597 -3.197 217 1HB HIS 51 1HB HIS 51 11.380 1.863 -1.311 218 2HB HIS 51 2HB HIS 51 10.693 2.775 -2.642 219 HD1 HIS 51 HD1 HIS 51 7.787 1.931 -2.951 220 HD2 HIS 51 HD2 HIS 51 9.860 1.393 0.680 221 HE1 HIS 51 HE1 HIS 51 6.047 1.340 -1.206 222 H PHE 52 H PHE 52 8.651 -0.630 -3.139 223 HA PHE 52 HA PHE 52 8.665 -1.960 -0.675 224 1HB PHE 52 1HB PHE 52 6.759 -3.286 -1.662 225 2HB PHE 52 2HB PHE 52 6.606 -1.543 -1.683 226 HD1 PHE 52 HD1 PHE 52 7.083 -4.548 -3.806 227 HD2 PHE 52 HD2 PHE 52 6.554 -0.264 -3.759 228 HE1 PHE 52 HE1 PHE 52 6.639 -4.569 -6.246 229 HE2 PHE 52 HE2 PHE 52 6.106 -0.295 -6.194 230 HZ PHE 52 HZ PHE 52 6.156 -2.442 -7.447 231 H SER 53 H SER 53 9.619 -3.296 -3.868 232 HA SER 53 HA SER 53 10.180 -5.933 -3.075 233 1HB SER 53 1HB SER 53 11.582 -4.264 -5.196 234 2HB SER 53 2HB SER 53 11.570 -6.037 -5.094 235 HG SER 53 HG SER 53 9.978 -5.258 -6.546 236 H LYS 54 H LYS 54 11.840 -3.216 -1.924 237 HA LYS 54 HA LYS 54 14.038 -4.918 -0.870 238 1HB LYS 54 1HB LYS 54 15.681 -3.168 -1.279 239 2HB LYS 54 2HB LYS 54 14.948 -3.712 -2.783 240 1HG LYS 54 1HG LYS 54 13.544 -1.697 -2.895 241 2HG LYS 54 2HG LYS 54 14.096 -1.185 -1.293 242 1HD LYS 54 1HD LYS 54 15.242 0.114 -2.951 243 2HD LYS 54 2HD LYS 54 16.411 -0.959 -2.168 244 1HE LYS 54 1HE LYS 54 16.242 -2.528 -4.104 245 2HE LYS 54 2HE LYS 54 15.067 -1.450 -4.870 246 1HZ LYS 54 1HZ LYS 54 16.804 0.266 -4.944 247 2HZ LYS 54 2HZ LYS 54 17.884 -0.738 -4.239 248 3HZ LYS 54 3HZ LYS 54 17.309 -1.073 -5.727 249 H GLN 55 H GLN 55 11.423 -3.562 0.183 250 HA GLN 55 HA GLN 55 12.613 -2.987 2.811 251 1HB GLN 55 1HB GLN 55 12.571 -0.765 1.577 252 2HB GLN 55 2HB GLN 55 10.811 -0.890 1.530 253 1HG GLN 55 1HG GLN 55 10.880 -1.084 4.093 254 2HG GLN 55 2HG GLN 55 12.607 -0.728 3.997 255 1HE2 GLN 55 1HE2 GLN 55 9.342 0.546 3.578 256 2HE2 GLN 55 2HE2 GLN 55 9.809 2.239 3.514 257 H CYS 56 H CYS 56 9.462 -2.740 1.081 258 HA CYS 56 HA CYS 56 8.055 -3.617 3.524 259 1HB CYS 56 1HB CYS 56 7.035 -2.299 0.975 260 2HB CYS 56 2HB CYS 56 6.109 -2.587 2.451 261 H ARG 57 H ARG 57 9.093 -5.088 0.721 262 HA ARG 57 HA ARG 57 7.350 -7.444 1.045 263 1HB ARG 57 1HB ARG 57 6.537 -5.555 -0.714 264 2HB ARG 57 2HB ARG 57 7.741 -6.293 -1.743 265 1HG ARG 57 1HG ARG 57 5.452 -7.146 -2.123 266 2HG ARG 57 2HG ARG 57 6.548 -8.441 -1.659 267 1HD ARG 57 1HD ARG 57 4.263 -8.550 -0.587 268 2HD ARG 57 2HD ARG 57 5.607 -8.601 0.534 269 HE ARG 57 HE ARG 57 5.129 -6.418 1.312 270 1HH1 ARG 57 2HH2 ARG 57 2.817 -7.208 -1.231 271 2HH1 ARG 57 1HH2 ARG 57 1.823 -5.822 -0.798 272 1HH2 ARG 57 1HH1 ARG 57 3.771 -4.746 1.749 273 2HH2 ARG 57 2HH1 ARG 57 2.325 -4.525 0.771 274 H SER 58 H SER 58 10.264 -6.692 1.353 275 HA SER 58 HA SER 58 12.028 -7.791 -0.479 276 1HB SER 58 1HB SER 58 12.225 -7.964 2.549 277 2HB SER 58 2HB SER 58 13.564 -8.068 1.390 278 HG SER 58 HG SER 58 13.301 -5.937 2.268 No H/Q in entry = 278 Start of MODEL 2 1 H1 GLN 22 H1 GLN 22 -6.944 0.796 -5.659 2 H2 GLN 22 H3 GLN 22 -7.020 0.316 -7.235 3 H3 GLN 22 H2 GLN 22 -8.080 -0.282 -6.128 4 HA GLN 22 HA GLN 22 -6.472 -1.950 -6.606 5 1HB GLN 22 1HB GLN 22 -4.662 -0.412 -7.325 6 2HB GLN 22 2HB GLN 22 -4.442 0.122 -5.660 7 1HG GLN 22 1HG GLN 22 -2.706 -1.457 -6.292 8 2HG GLN 22 2HG GLN 22 -3.689 -2.152 -5.013 9 1HE2 GLN 22 2HE2 GLN 22 -2.204 -2.949 -7.917 10 2HE2 GLN 22 1HE2 GLN 22 -3.255 -4.292 -8.349 11 H THR 23 H THR 23 -6.298 -3.505 -5.023 12 HA THR 23 HA THR 23 -7.776 -3.231 -2.724 13 HB THR 23 HB THR 23 -5.524 -5.228 -3.112 14 HG1 THR 23 HG1 THR 23 -7.090 -6.411 -4.203 15 1HG2 THR 23 1HG2 THR 23 -8.203 -5.441 -1.657 16 2HG2 THR 23 2HG2 THR 23 -7.037 -6.761 -1.885 17 3HG2 THR 23 3HG2 THR 23 -6.603 -5.381 -0.872 18 H CYS 24 H CYS 24 -7.575 -2.603 -0.712 19 HA CYS 24 HA CYS 24 -5.608 -0.969 0.318 20 1HB CYS 24 1HB CYS 24 -7.998 -1.408 1.072 21 2HB CYS 24 2HB CYS 24 -7.401 -2.844 1.903 22 H TYR 25 H TYR 25 -3.949 -1.147 1.849 23 HA TYR 25 HA TYR 25 -2.434 -3.584 2.114 24 1HB TYR 25 1HB TYR 25 -0.970 -2.423 3.412 25 2HB TYR 25 2HB TYR 25 -1.582 -1.171 2.357 26 HD1 TYR 25 HD1 TYR 25 -0.536 -1.761 5.572 27 HD2 TYR 25 HD2 TYR 25 -3.926 -0.033 3.532 28 HE1 TYR 25 HE1 TYR 25 -1.063 -0.403 7.586 29 HE2 TYR 25 HE2 TYR 25 -4.484 1.260 5.570 30 HH TYR 25 HH TYR 25 -2.510 1.112 8.541 31 H ASN 26 H ASN 26 -5.216 -2.439 3.783 32 HA ASN 26 HA ASN 26 -4.867 -4.410 6.027 33 1HB ASN 26 1HB ASN 26 -4.338 -2.160 6.755 34 2HB ASN 26 2HB ASN 26 -5.774 -1.497 5.982 35 1HD2 ASN 26 1HD2 ASN 26 -7.822 -1.679 7.039 36 2HD2 ASN 26 2HD2 ASN 26 -7.911 -2.259 8.695 37 H CYS 27 H CYS 27 -7.307 -2.493 4.205 38 HA CYS 27 HA CYS 27 -9.504 -3.759 5.527 39 1HB CYS 27 1HB CYS 27 -9.461 -1.919 3.104 40 2HB CYS 27 2HB CYS 27 -10.832 -2.229 4.174 41 H GLY 28 H GLY 28 -7.728 -4.888 2.859 42 1HA GLY 28 2HA GLY 28 -9.318 -7.151 2.351 43 2HA GLY 28 1HA GLY 28 -8.044 -6.538 1.294 44 H LYS 29 H LYS 29 -9.436 -4.006 0.745 45 HA LYS 29 HA LYS 29 -11.829 -4.878 -0.827 46 1HB LYS 29 1HB LYS 29 -12.314 -3.649 1.254 47 2HB LYS 29 2HB LYS 29 -11.322 -2.314 0.707 48 1HG LYS 29 1HG LYS 29 -13.590 -1.706 0.353 49 2HG LYS 29 2HG LYS 29 -12.913 -2.006 -1.248 50 1HD LYS 29 1HD LYS 29 -13.992 -4.245 -1.292 51 2HD LYS 29 2HD LYS 29 -14.584 -3.995 0.364 52 1HE LYS 29 1HE LYS 29 -15.874 -2.010 -0.410 53 2HE LYS 29 2HE LYS 29 -15.309 -2.287 -2.062 54 1HZ LYS 29 3HZ LYS 29 -16.963 -4.191 -0.484 55 2HZ LYS 29 1HZ LYS 29 -17.509 -3.253 -1.699 56 3HZ LYS 29 2HZ LYS 29 -16.446 -4.449 -2.013 57 HA PRO 30 HA PRO 30 -9.228 -3.592 -4.301 58 1HB PRO 30 2HB PRO 30 -11.936 -3.590 -5.635 59 2HB PRO 30 1HB PRO 30 -10.366 -4.188 -6.265 60 1HG PRO 30 1HG PRO 30 -12.142 -5.933 -5.224 61 2HG PRO 30 2HG PRO 30 -10.408 -6.065 -4.777 62 1HD PRO 30 1HD PRO 30 -12.675 -4.850 -3.198 63 2HD PRO 30 2HD PRO 30 -11.330 -5.894 -2.644 64 H GLY 31 H GLY 31 -12.151 -1.739 -3.506 65 1HA GLY 31 2HA GLY 31 -12.831 0.414 -3.927 66 2HA GLY 31 1HA GLY 31 -11.629 0.512 -5.210 67 H HIS 32 H HIS 32 -9.298 0.084 -3.543 68 HA HIS 32 HA HIS 32 -9.300 2.487 -1.782 69 1HB HIS 32 1HB HIS 32 -7.905 -0.156 -1.638 70 2HB HIS 32 2HB HIS 32 -7.054 1.257 -1.030 71 HD1 HIS 32 HD1 HIS 32 -10.428 -0.543 -0.437 72 HD2 HIS 32 HD2 HIS 32 -7.649 2.029 1.355 73 HE1 HIS 32 HE1 HIS 32 -11.212 -0.211 1.987 74 H LEU 33 H LEU 33 -7.526 3.762 -1.637 75 HA LEU 33 HA LEU 33 -5.656 4.214 -3.845 76 1HB LEU 33 1HB LEU 33 -8.002 6.063 -3.150 77 2HB LEU 33 2HB LEU 33 -6.623 6.570 -4.112 78 HG LEU 33 HG LEU 33 -8.620 4.431 -4.951 79 1HD1 LEU 33 1HD1 LEU 33 -9.587 6.686 -4.880 80 2HD1 LEU 33 2HD1 LEU 33 -8.248 7.306 -5.870 81 3HD1 LEU 33 3HD1 LEU 33 -9.391 6.121 -6.547 82 1HD2 LEU 33 1HD2 LEU 33 -6.333 5.769 -6.476 83 2HD2 LEU 33 2HD2 LEU 33 -6.392 4.063 -5.980 84 3HD2 LEU 33 3HD2 LEU 33 -7.543 4.670 -7.175 85 H SER 34 H SER 34 -4.391 6.266 -3.281 86 HA SER 34 HA SER 34 -3.371 6.465 -0.682 87 1HB SER 34 1HB SER 34 -3.590 8.677 -2.759 88 2HB SER 34 2HB SER 34 -2.400 8.571 -1.448 89 HG SER 34 HG SER 34 -1.678 7.827 -3.580 90 H SER 35 H SER 35 -6.388 7.773 -1.832 91 HA SER 35 HA SER 35 -6.741 9.623 0.454 92 1HB SER 35 1HB SER 35 -8.797 10.259 -0.808 93 2HB SER 35 2HB SER 35 -7.304 10.467 -1.737 94 HG SER 35 HG SER 35 -8.971 9.417 -2.947 95 H GLN 36 H GLN 36 -7.286 6.348 -0.092 96 HA GLN 36 HA GLN 36 -9.814 6.239 1.501 97 1HB GLN 36 1HB GLN 36 -9.488 5.148 -0.866 98 2HB GLN 36 2HB GLN 36 -8.535 3.952 0.001 99 1HG GLN 36 1HG GLN 36 -10.646 2.966 -0.038 100 2HG GLN 36 2HG GLN 36 -10.668 3.729 1.545 101 1HE2 GLN 36 2HE2 GLN 36 -12.071 3.658 -1.687 102 2HE2 GLN 36 1HE2 GLN 36 -13.277 4.904 -1.377 103 H CYS 37 H CYS 37 -6.509 4.921 1.311 104 HA CYS 37 HA CYS 37 -6.313 4.832 4.228 105 1HB CYS 37 1HB CYS 37 -5.973 2.367 2.474 106 2HB CYS 37 2HB CYS 37 -4.964 2.568 3.875 107 H ARG 38 H ARG 38 -3.982 4.361 4.815 108 HA ARG 38 HA ARG 38 -2.163 6.217 3.719 109 1HB ARG 38 1HB ARG 38 -1.657 3.685 5.340 110 2HB ARG 38 2HB ARG 38 -0.457 4.936 5.026 111 1HG ARG 38 1HG ARG 38 -1.114 6.059 6.807 112 2HG ARG 38 2HG ARG 38 -2.690 6.343 6.088 113 1HD ARG 38 1HD ARG 38 -1.941 3.864 7.707 114 2HD ARG 38 2HD ARG 38 -2.677 5.293 8.409 115 HE ARG 38 HE ARG 38 -4.009 3.178 6.987 116 1HH1 ARG 38 1HH1 ARG 38 -4.342 6.525 7.951 117 2HH1 ARG 38 2HH1 ARG 38 -6.070 6.513 7.742 118 1HH2 ARG 38 1HH2 ARG 38 -6.237 3.337 6.462 119 2HH2 ARG 38 2HH2 ARG 38 -7.090 4.745 6.985 120 H ALA 39 H ALA 39 -2.573 2.799 2.781 121 HA ALA 39 HA ALA 39 -1.412 3.411 0.204 122 1HB ALA 39 2HB ALA 39 0.667 2.952 1.489 123 2HB ALA 39 3HB ALA 39 -0.014 1.392 2.021 124 3HB ALA 39 1HB ALA 39 0.378 1.657 0.319 125 HA PRO 40 HA PRO 40 -3.659 -0.493 -0.816 126 1HB PRO 40 2HB PRO 40 -2.557 -1.100 -3.222 127 2HB PRO 40 1HB PRO 40 -3.698 0.266 -3.020 128 1HG PRO 40 1HG PRO 40 -0.665 0.361 -3.079 129 2HG PRO 40 2HG PRO 40 -1.820 1.380 -3.995 130 1HD PRO 40 1HD PRO 40 -0.664 2.177 -1.642 131 2HD PRO 40 2HD PRO 40 -2.317 2.675 -2.102 132 H LYS 41 H LYS 41 -2.921 -2.776 -1.386 133 HA LYS 41 HA LYS 41 -1.125 -3.765 0.522 134 1HB LYS 41 1HB LYS 41 -3.126 -4.867 -0.719 135 2HB LYS 41 2HB LYS 41 -1.978 -5.268 -1.981 136 1HG LYS 41 1HG LYS 41 -2.385 -7.156 -0.505 137 2HG LYS 41 2HG LYS 41 -0.698 -6.668 -0.368 138 1HD LYS 41 1HD LYS 41 -1.152 -5.551 1.774 139 2HD LYS 41 2HD LYS 41 -2.898 -5.849 1.584 140 1HE LYS 41 1HE LYS 41 -2.485 -8.284 1.674 141 2HE LYS 41 2HE LYS 41 -0.749 -7.994 1.852 142 1HZ LYS 41 1HZ LYS 41 -2.821 -7.069 3.780 143 2HZ LYS 41 2HZ LYS 41 -1.840 -8.354 4.007 144 3HZ LYS 41 3HZ LYS 41 -1.217 -6.845 3.951 145 H VAL 42 H VAL 42 -0.148 -2.413 -2.358 146 HA VAL 42 HA VAL 42 2.379 -3.637 -2.893 147 HB VAL 42 HB VAL 42 1.541 -0.707 -3.007 148 1HG1 VAL 42 3HG1 VAL 42 3.820 -2.158 -4.403 149 2HG1 VAL 42 1HG1 VAL 42 3.298 -0.495 -4.753 150 3HG1 VAL 42 2HG1 VAL 42 3.973 -0.881 -3.172 151 1HG2 VAL 42 3HG2 VAL 42 1.462 -2.870 -5.159 152 2HG2 VAL 42 1HG2 VAL 42 0.050 -2.090 -4.410 153 3HG2 VAL 42 2HG2 VAL 42 1.138 -1.143 -5.422 154 H CYS 43 H CYS 43 1.343 -1.409 -0.311 155 HA CYS 43 HA CYS 43 3.963 -1.600 1.072 156 1HB CYS 43 1HB CYS 43 3.986 0.230 -0.670 157 2HB CYS 43 2HB CYS 43 2.677 1.030 0.209 158 H PHE 44 H PHE 44 3.346 0.561 2.768 159 HA PHE 44 HA PHE 44 0.710 0.061 4.037 160 1HB PHE 44 1HB PHE 44 1.548 -0.123 6.220 161 2HB PHE 44 2HB PHE 44 2.521 -1.231 5.274 162 HD1 PHE 44 HD1 PHE 44 2.503 1.731 7.393 163 HD2 PHE 44 HD2 PHE 44 4.910 -0.526 4.612 164 HE1 PHE 44 HE1 PHE 44 4.532 2.925 8.179 165 HE2 PHE 44 HE2 PHE 44 6.935 0.672 5.404 166 HZ PHE 44 HZ PHE 44 6.751 2.402 7.178 167 H LYS 45 H LYS 45 3.265 2.284 3.158 168 HA LYS 45 HA LYS 45 1.500 4.579 3.617 169 1HB LYS 45 1HB LYS 45 2.560 4.177 5.859 170 2HB LYS 45 2HB LYS 45 4.150 4.414 5.130 171 1HG LYS 45 1HG LYS 45 3.516 6.747 4.533 172 2HG LYS 45 2HG LYS 45 1.894 6.475 5.203 173 1HD LYS 45 1HD LYS 45 2.901 6.041 7.438 174 2HD LYS 45 2HD LYS 45 4.518 6.326 6.758 175 1HE LYS 45 1HE LYS 45 3.838 8.636 6.129 176 2HE LYS 45 2HE LYS 45 2.233 8.351 6.812 177 1HZ LYS 45 2HZ LYS 45 3.291 8.028 8.989 178 2HZ LYS 45 3HZ LYS 45 4.773 8.298 8.356 179 3HZ LYS 45 1HZ LYS 45 3.670 9.498 8.394 180 H CYS 46 H CYS 46 4.960 3.782 2.944 181 HA CYS 46 HA CYS 46 5.461 6.172 1.572 182 1HB CYS 46 1HB CYS 46 7.434 4.347 0.748 183 2HB CYS 46 2HB CYS 46 7.494 5.507 2.060 184 H LYS 47 H LYS 47 4.533 3.044 0.242 185 HA LYS 47 HA LYS 47 4.043 2.300 -1.870 186 1HB LYS 47 1HB LYS 47 1.988 3.314 -2.651 187 2HB LYS 47 2HB LYS 47 2.044 3.170 -0.900 188 1HG LYS 47 1HG LYS 47 2.646 5.590 -0.734 189 2HG LYS 47 2HG LYS 47 2.491 5.741 -2.485 190 1HD LYS 47 1HD LYS 47 0.135 5.256 -2.389 191 2HD LYS 47 2HD LYS 47 0.228 4.733 -0.700 192 1HE LYS 47 1HE LYS 47 0.918 7.558 -1.602 193 2HE LYS 47 2HE LYS 47 -0.710 7.069 -1.119 194 1HZ LYS 47 3HZ LYS 47 1.650 6.803 0.672 195 2HZ LYS 47 1HZ LYS 47 0.556 8.028 0.746 196 3HZ LYS 47 2HZ LYS 47 0.111 6.478 1.055 197 H GLN 48 H GLN 48 6.472 4.009 -2.166 198 HA GLN 48 HA GLN 48 6.293 5.306 -4.714 199 1HB GLN 48 1HB GLN 48 8.736 4.159 -3.298 200 2HB GLN 48 2HB GLN 48 8.780 5.261 -4.666 201 1HG GLN 48 1HG GLN 48 7.742 5.874 -1.872 202 2HG GLN 48 2HG GLN 48 9.206 6.482 -2.620 203 1HE2 GLN 48 2HE2 GLN 48 5.862 7.118 -2.127 204 2HE2 GLN 48 1HE2 GLN 48 5.751 8.476 -3.253 205 HA PRO 49 HA PRO 49 5.950 2.377 -7.759 206 1HB PRO 49 2HB PRO 49 8.489 3.363 -9.077 207 2HB PRO 49 1HB PRO 49 6.895 3.019 -9.824 208 1HG PRO 49 1HG PRO 49 7.555 5.557 -9.205 209 2HG PRO 49 2HG PRO 49 5.918 4.945 -8.798 210 1HD PRO 49 1HD PRO 49 8.307 5.283 -6.988 211 2HD PRO 49 2HD PRO 49 6.586 5.659 -6.694 212 H GLY 50 H GLY 50 9.140 1.991 -6.309 213 1HA GLY 50 2HA GLY 50 10.391 -0.072 -7.480 214 2HA GLY 50 1HA GLY 50 8.984 -0.931 -6.855 215 H HIS 51 H HIS 51 9.627 1.418 -4.578 216 HA HIS 51 HA HIS 51 11.945 0.480 -3.243 217 1HB HIS 51 1HB HIS 51 11.360 1.983 -1.558 218 2HB HIS 51 2HB HIS 51 10.650 2.708 -2.991 219 HD1 HIS 51 HD1 HIS 51 7.766 1.714 -3.178 220 HD2 HIS 51 HD2 HIS 51 9.854 1.835 0.484 221 HE1 HIS 51 HE1 HIS 51 6.047 1.348 -1.349 222 H PHE 52 H PHE 52 8.687 -0.787 -3.159 223 HA PHE 52 HA PHE 52 8.612 -1.793 -0.530 224 1HB PHE 52 1HB PHE 52 6.727 -3.223 -1.461 225 2HB PHE 52 2HB PHE 52 6.580 -1.485 -1.603 226 HD1 PHE 52 HD1 PHE 52 7.130 -4.630 -3.513 227 HD2 PHE 52 HD2 PHE 52 6.546 -0.360 -3.755 228 HE1 PHE 52 HE1 PHE 52 6.748 -4.812 -5.957 229 HE2 PHE 52 HE2 PHE 52 6.148 -0.554 -6.188 230 HZ PHE 52 HZ PHE 52 6.263 -2.774 -7.302 231 H SER 53 H SER 53 9.609 -3.488 -3.527 232 HA SER 53 HA SER 53 10.085 -6.035 -2.406 233 1HB SER 53 1HB SER 53 11.474 -4.699 -4.759 234 2HB SER 53 2HB SER 53 11.428 -6.442 -4.421 235 HG SER 53 HG SER 53 9.819 -5.832 -5.929 236 H LYS 54 H LYS 54 11.788 -3.267 -1.571 237 HA LYS 54 HA LYS 54 14.059 -4.862 -0.479 238 1HB LYS 54 1HB LYS 54 15.640 -3.123 -1.097 239 2HB LYS 54 2HB LYS 54 14.838 -3.785 -2.517 240 1HG LYS 54 1HG LYS 54 13.375 -1.803 -2.664 241 2HG LYS 54 2HG LYS 54 14.056 -1.162 -1.161 242 1HD LYS 54 1HD LYS 54 15.049 0.016 -2.984 243 2HD LYS 54 2HD LYS 54 16.295 -1.028 -2.280 244 1HE LYS 54 1HE LYS 54 15.899 -2.695 -4.097 245 2HE LYS 54 2HE LYS 54 14.639 -1.656 -4.775 246 1HZ LYS 54 3HZ LYS 54 16.352 0.045 -5.153 247 2HZ LYS 54 1HZ LYS 54 17.511 -0.924 -4.531 248 3HZ LYS 54 2HZ LYS 54 16.758 -1.337 -5.917 249 H GLN 55 H GLN 55 11.454 -3.349 0.556 250 HA GLN 55 HA GLN 55 12.739 -2.549 3.084 251 1HB GLN 55 1HB GLN 55 12.790 -0.492 1.622 252 2HB GLN 55 2HB GLN 55 11.026 -0.542 1.553 253 1HG GLN 55 1HG GLN 55 10.992 -0.354 4.083 254 2HG GLN 55 2HG GLN 55 12.751 -0.209 4.053 255 1HE2 GLN 55 1HE2 GLN 55 9.689 1.389 3.314 256 2HE2 GLN 55 2HE2 GLN 55 10.385 2.990 3.089 257 H CYS 56 H CYS 56 9.569 -2.449 1.375 258 HA CYS 56 HA CYS 56 8.205 -2.783 3.978 259 1HB CYS 56 1HB CYS 56 7.196 -1.775 1.288 260 2HB CYS 56 2HB CYS 56 6.314 -1.749 2.821 261 H ARG 57 H ARG 57 8.695 -4.586 1.088 262 HA ARG 57 HA ARG 57 6.818 -6.726 1.980 263 1HB ARG 57 1HB ARG 57 6.220 -4.997 -0.131 264 2HB ARG 57 2HB ARG 57 7.052 -6.288 -0.968 265 1HG ARG 57 1HG ARG 57 4.999 -7.247 -1.045 266 2HG ARG 57 2HG ARG 57 5.325 -7.761 0.607 267 1HD ARG 57 1HD ARG 57 3.742 -5.339 -0.343 268 2HD ARG 57 2HD ARG 57 3.116 -6.764 0.497 269 HE ARG 57 HE ARG 57 5.087 -5.472 2.144 270 1HH1 ARG 57 1HH1 ARG 57 1.861 -4.764 0.994 271 2HH1 ARG 57 2HH1 ARG 57 1.613 -3.575 2.249 272 1HH2 ARG 57 2HH2 ARG 57 4.652 -4.103 3.733 273 2HH2 ARG 57 1HH2 ARG 57 3.054 -3.393 3.910 274 H SER 58 H SER 58 9.913 -6.029 1.474 275 HA SER 58 HA SER 58 11.082 -8.130 -0.040 276 1HB SER 58 1HB SER 58 13.090 -7.605 1.458 277 2HB SER 58 2HB SER 58 12.441 -6.300 0.462 278 HG SER 58 HG SER 58 11.837 -6.722 3.220 No H/Q in entry = 278 Start of MODEL 3 1 H1 GLN 22 H2 GLN 22 -8.254 -0.885 -6.279 2 H2 GLN 22 H1 GLN 22 -7.271 0.364 -5.899 3 H3 GLN 22 H3 GLN 22 -7.246 -0.264 -7.420 4 HA GLN 22 HA GLN 22 -6.399 -2.362 -6.595 5 1HB GLN 22 1HB GLN 22 -4.816 -0.565 -7.331 6 2HB GLN 22 2HB GLN 22 -4.704 -0.003 -5.656 7 1HG GLN 22 1HG GLN 22 -3.746 -2.206 -4.987 8 2HG GLN 22 2HG GLN 22 -3.969 -2.803 -6.635 9 1HE2 GLN 22 2HE2 GLN 22 -1.806 -3.106 -7.287 10 2HE2 GLN 22 1HE2 GLN 22 -0.633 -1.795 -7.273 11 H THR 23 H THR 23 -6.436 -3.786 -4.907 12 HA THR 23 HA THR 23 -7.881 -3.371 -2.640 13 HB THR 23 HB THR 23 -5.581 -5.343 -2.825 14 HG1 THR 23 HG1 THR 23 -7.075 -6.633 -3.913 15 1HG2 THR 23 1HG2 THR 23 -8.326 -5.518 -1.494 16 2HG2 THR 23 2HG2 THR 23 -7.146 -6.839 -1.603 17 3HG2 THR 23 3HG2 THR 23 -6.763 -5.408 -0.644 18 H CYS 24 H CYS 24 -7.658 -2.824 -0.558 19 HA CYS 24 HA CYS 24 -5.709 -1.032 0.346 20 1HB CYS 24 1HB CYS 24 -8.098 -1.482 1.138 21 2HB CYS 24 2HB CYS 24 -7.455 -2.856 2.039 22 H TYR 25 H TYR 25 -4.086 -1.156 1.933 23 HA TYR 25 HA TYR 25 -2.533 -3.592 2.270 24 1HB TYR 25 1HB TYR 25 -1.051 -2.337 3.468 25 2HB TYR 25 2HB TYR 25 -1.695 -1.142 2.363 26 HD1 TYR 25 HD1 TYR 25 -0.590 -1.541 5.589 27 HD2 TYR 25 HD2 TYR 25 -4.047 -0.001 3.518 28 HE1 TYR 25 HE1 TYR 25 -1.132 -0.105 7.546 29 HE2 TYR 25 HE2 TYR 25 -4.630 1.344 5.500 30 HH TYR 25 HH TYR 25 -2.620 1.399 8.455 31 H ASN 26 H ASN 26 -5.372 -2.441 3.790 32 HA ASN 26 HA ASN 26 -5.014 -4.225 6.184 33 1HB ASN 26 1HB ASN 26 -4.487 -1.933 6.788 34 2HB ASN 26 2HB ASN 26 -5.926 -1.318 5.978 35 1HD2 ASN 26 2HD2 ASN 26 -7.977 -1.458 7.041 36 2HD2 ASN 26 1HD2 ASN 26 -8.065 -1.956 8.724 37 H CYS 27 H CYS 27 -7.450 -2.370 4.289 38 HA CYS 27 HA CYS 27 -9.646 -3.579 5.648 39 1HB CYS 27 1HB CYS 27 -9.594 -1.868 3.132 40 2HB CYS 27 2HB CYS 27 -10.969 -2.121 4.214 41 H GLY 28 H GLY 28 -7.870 -4.843 3.040 42 1HA GLY 28 2HA GLY 28 -9.465 -7.126 2.642 43 2HA GLY 28 1HA GLY 28 -8.186 -6.568 1.559 44 H LYS 29 H LYS 29 -9.631 -4.045 0.930 45 HA LYS 29 HA LYS 29 -11.995 -5.023 -0.614 46 1HB LYS 29 1HB LYS 29 -12.467 -3.645 1.387 47 2HB LYS 29 2HB LYS 29 -11.503 -2.345 0.717 48 1HG LYS 29 1HG LYS 29 -13.777 -1.797 0.331 49 2HG LYS 29 2HG LYS 29 -13.118 -2.242 -1.244 50 1HD LYS 29 1HD LYS 29 -14.170 -4.495 -1.043 51 2HD LYS 29 2HD LYS 29 -14.755 -4.072 0.579 52 1HE LYS 29 1HE LYS 29 -16.065 -2.193 -0.401 53 2HE LYS 29 2HE LYS 29 -15.505 -2.647 -2.016 54 1HZ LYS 29 2HZ LYS 29 -17.138 -4.373 -0.225 55 2HZ LYS 29 3HZ LYS 29 -17.694 -3.584 -1.538 56 3HZ LYS 29 1HZ LYS 29 -16.623 -4.801 -1.718 57 HA PRO 30 HA PRO 30 -9.402 -3.985 -4.157 58 1HB PRO 30 2HB PRO 30 -12.104 -4.011 -5.509 59 2HB PRO 30 1HB PRO 30 -10.548 -4.688 -6.085 60 1HG PRO 30 1HG PRO 30 -12.374 -6.315 -4.947 61 2HG PRO 30 2HG PRO 30 -10.646 -6.462 -4.483 62 1HD PRO 30 1HD PRO 30 -12.883 -5.090 -2.993 63 2HD PRO 30 2HD PRO 30 -11.567 -6.134 -2.372 64 H GLY 31 H GLY 31 -12.285 -2.019 -3.483 65 1HA GLY 31 2HA GLY 31 -12.915 0.119 -4.038 66 2HA GLY 31 1HA GLY 31 -11.731 0.096 -5.342 67 H HIS 32 H HIS 32 -9.429 -0.332 -3.547 68 HA HIS 32 HA HIS 32 -9.319 2.228 -2.030 69 1HB HIS 32 1HB HIS 32 -8.038 -0.455 -1.681 70 2HB HIS 32 2HB HIS 32 -7.125 0.957 -1.174 71 HD1 HIS 32 HD1 HIS 32 -10.580 -0.631 -0.467 72 HD2 HIS 32 HD2 HIS 32 -7.664 1.902 1.163 73 HE1 HIS 32 HE1 HIS 32 -11.336 -0.115 1.933 74 H LEU 33 H LEU 33 -7.224 3.215 -1.876 75 HA LEU 33 HA LEU 33 -5.482 3.396 -4.213 76 1HB LEU 33 1HB LEU 33 -7.417 5.618 -3.357 77 2HB LEU 33 2HB LEU 33 -6.017 5.906 -4.376 78 HG LEU 33 HG LEU 33 -8.396 4.173 -5.153 79 1HD1 LEU 33 2HD1 LEU 33 -8.934 6.565 -5.005 80 2HD1 LEU 33 3HD1 LEU 33 -7.547 6.955 -6.045 81 3HD1 LEU 33 1HD1 LEU 33 -8.913 6.014 -6.686 82 1HD2 LEU 33 1HD2 LEU 33 -5.969 5.111 -6.761 83 2HD2 LEU 33 2HD2 LEU 33 -6.322 3.432 -6.297 84 3HD2 LEU 33 3HD2 LEU 33 -7.389 4.273 -7.424 85 H SER 34 H SER 34 -3.819 5.100 -3.753 86 HA SER 34 HA SER 34 -2.645 5.131 -1.191 87 1HB SER 34 1HB SER 34 -2.380 7.057 -3.531 88 2HB SER 34 2HB SER 34 -1.257 6.967 -2.162 89 HG SER 34 HG SER 34 -0.598 5.702 -4.006 90 H SER 35 H SER 35 -5.479 6.745 -1.938 91 HA SER 35 HA SER 35 -5.185 8.642 0.349 92 1HB SER 35 1HB SER 35 -6.775 10.102 -0.872 93 2HB SER 35 2HB SER 35 -5.259 9.854 -1.758 94 HG SER 35 HG SER 35 -7.121 9.605 -3.104 95 H GLN 36 H GLN 36 -6.948 5.919 -0.834 96 HA GLN 36 HA GLN 36 -9.426 6.419 0.657 97 1HB GLN 36 1HB GLN 36 -9.126 4.909 -1.425 98 2HB GLN 36 2HB GLN 36 -8.342 3.766 -0.338 99 1HG GLN 36 1HG GLN 36 -10.554 2.992 -0.398 100 2HG GLN 36 2HG GLN 36 -10.554 3.931 1.080 101 1HE2 GLN 36 2HE2 GLN 36 -11.880 3.610 -2.164 102 2HE2 GLN 36 1HE2 GLN 36 -12.937 5.013 -2.052 103 H CYS 37 H CYS 37 -6.354 4.788 1.129 104 HA CYS 37 HA CYS 37 -6.605 4.956 4.046 105 1HB CYS 37 1HB CYS 37 -6.128 2.406 2.488 106 2HB CYS 37 2HB CYS 37 -5.201 2.655 3.941 107 H ARG 38 H ARG 38 -4.243 4.350 4.919 108 HA ARG 38 HA ARG 38 -2.407 6.325 4.043 109 1HB ARG 38 1HB ARG 38 -1.959 3.768 5.652 110 2HB ARG 38 2HB ARG 38 -0.696 4.928 5.284 111 1HG ARG 38 1HG ARG 38 -1.195 5.740 7.275 112 2HG ARG 38 2HG ARG 38 -2.346 6.705 6.372 113 1HD ARG 38 1HD ARG 38 -3.079 4.058 7.701 114 2HD ARG 38 2HD ARG 38 -3.037 5.563 8.596 115 HE ARG 38 HE ARG 38 -4.766 6.490 7.130 116 1HH1 ARG 38 1HH1 ARG 38 -4.625 2.960 7.275 117 2HH1 ARG 38 2HH1 ARG 38 -6.258 2.837 6.649 118 1HH2 ARG 38 1HH2 ARG 38 -6.894 6.175 6.576 119 2HH2 ARG 38 2HH2 ARG 38 -7.479 4.557 6.308 120 H ALA 39 H ALA 39 -2.677 2.962 2.936 121 HA ALA 39 HA ALA 39 -1.447 3.714 0.425 122 1HB ALA 39 3HB ALA 39 0.587 3.176 1.774 123 2HB ALA 39 1HB ALA 39 -0.114 1.586 2.164 124 3HB ALA 39 2HB ALA 39 0.336 1.973 0.497 125 HA PRO 40 HA PRO 40 -3.790 -0.115 -0.735 126 1HB PRO 40 2HB PRO 40 -2.739 -0.670 -3.171 127 2HB PRO 40 1HB PRO 40 -3.814 0.736 -2.914 128 1HG PRO 40 1HG PRO 40 -0.778 0.701 -2.987 129 2HG PRO 40 2HG PRO 40 -1.891 1.800 -3.862 130 1HD PRO 40 1HD PRO 40 -0.695 2.467 -1.483 131 2HD PRO 40 2HD PRO 40 -2.320 3.049 -1.935 132 H LYS 41 H LYS 41 -3.086 -2.393 -1.415 133 HA LYS 41 HA LYS 41 -1.383 -3.583 0.433 134 1HB LYS 41 1HB LYS 41 -3.272 -4.577 -0.905 135 2HB LYS 41 2HB LYS 41 -2.175 -4.718 -2.280 136 1HG LYS 41 1HG LYS 41 -0.767 -6.293 -1.018 137 2HG LYS 41 2HG LYS 41 -1.731 -6.017 0.450 138 1HD LYS 41 1HD LYS 41 -3.718 -6.978 -0.675 139 2HD LYS 41 2HD LYS 41 -2.764 -7.225 -2.158 140 1HE LYS 41 1HE LYS 41 -1.210 -8.710 -0.901 141 2HE LYS 41 2HE LYS 41 -2.167 -8.471 0.568 142 1HZ LYS 41 1HZ LYS 41 -3.170 -9.736 -1.930 143 2HZ LYS 41 2HZ LYS 41 -2.776 -10.531 -0.564 144 3HZ LYS 41 3HZ LYS 41 -4.054 -9.518 -0.570 145 H VAL 42 H VAL 42 -0.288 -2.038 -2.397 146 HA VAL 42 HA VAL 42 2.248 -3.234 -2.883 147 HB VAL 42 HB VAL 42 1.447 -0.294 -2.973 148 1HG1 VAL 42 1HG1 VAL 42 3.699 -1.775 -4.383 149 2HG1 VAL 42 2HG1 VAL 42 3.212 -0.099 -4.717 150 3HG1 VAL 42 3HG1 VAL 42 3.884 -0.515 -3.142 151 1HG2 VAL 42 2HG2 VAL 42 1.344 -2.437 -5.144 152 2HG2 VAL 42 3HG2 VAL 42 -0.056 -1.642 -4.391 153 3HG2 VAL 42 1HG2 VAL 42 1.044 -0.702 -5.391 154 H CYS 43 H CYS 43 1.193 -1.092 -0.234 155 HA CYS 43 HA CYS 43 3.808 -1.348 1.134 156 1HB CYS 43 1HB CYS 43 3.874 0.540 -0.556 157 2HB CYS 43 2HB CYS 43 2.605 1.350 0.371 158 H PHE 44 H PHE 44 3.217 0.812 2.852 159 HA PHE 44 HA PHE 44 0.587 0.410 4.129 160 1HB PHE 44 1HB PHE 44 1.408 -0.016 6.299 161 2HB PHE 44 2HB PHE 44 2.228 -1.161 5.255 162 HD1 PHE 44 HD1 PHE 44 2.606 1.518 7.662 163 HD2 PHE 44 HD2 PHE 44 4.679 -0.639 4.551 164 HE1 PHE 44 HE1 PHE 44 4.776 2.343 8.537 165 HE2 PHE 44 HE2 PHE 44 6.847 0.198 5.426 166 HZ PHE 44 HZ PHE 44 6.903 1.687 7.414 167 H LYS 45 H LYS 45 3.298 2.433 3.349 168 HA LYS 45 HA LYS 45 1.965 4.875 4.348 169 1HB LYS 45 1HB LYS 45 3.144 4.012 6.334 170 2HB LYS 45 2HB LYS 45 4.642 3.873 5.416 171 1HG LYS 45 1HG LYS 45 4.618 6.396 5.128 172 2HG LYS 45 2HG LYS 45 3.152 6.445 6.112 173 1HD LYS 45 1HD LYS 45 5.043 7.003 7.495 174 2HD LYS 45 2HD LYS 45 4.440 5.420 8.007 175 1HE LYS 45 1HE LYS 45 6.244 4.304 6.723 176 2HE LYS 45 2HE LYS 45 6.800 5.868 6.115 177 1HZ LYS 45 1HZ LYS 45 6.813 5.059 8.976 178 2HZ LYS 45 2HZ LYS 45 8.126 5.130 8.009 179 3HZ LYS 45 3HZ LYS 45 7.334 6.498 8.405 180 H CYS 46 H CYS 46 5.258 3.843 3.302 181 HA CYS 46 HA CYS 46 5.807 6.349 2.113 182 1HB CYS 46 1HB CYS 46 7.880 4.858 1.301 183 2HB CYS 46 2HB CYS 46 7.690 5.479 2.935 184 H LYS 47 H LYS 47 4.736 3.356 0.639 185 HA LYS 47 HA LYS 47 4.152 2.775 -1.500 186 1HB LYS 47 1HB LYS 47 2.105 3.886 -2.057 187 2HB LYS 47 2HB LYS 47 2.291 3.709 -0.323 188 1HG LYS 47 1HG LYS 47 3.153 6.191 -0.372 189 2HG LYS 47 2HG LYS 47 2.425 6.249 -1.981 190 1HD LYS 47 1HD LYS 47 0.234 5.650 -0.999 191 2HD LYS 47 2HD LYS 47 1.002 5.405 0.581 192 1HE LYS 47 1HE LYS 47 1.758 7.780 0.570 193 2HE LYS 47 2HE LYS 47 0.838 8.059 -0.916 194 1HZ LYS 47 2HZ LYS 47 -0.386 7.047 1.597 195 2HZ LYS 47 3HZ LYS 47 -0.337 8.647 1.217 196 3HZ LYS 47 1HZ LYS 47 -1.198 7.611 0.297 197 H GLN 48 H GLN 48 6.665 4.250 -1.823 198 HA GLN 48 HA GLN 48 6.489 5.780 -4.248 199 1HB GLN 48 1HB GLN 48 8.869 4.309 -3.040 200 2HB GLN 48 2HB GLN 48 8.964 5.495 -4.333 201 1HG GLN 48 1HG GLN 48 8.116 6.006 -1.458 202 2HG GLN 48 2HG GLN 48 9.597 6.523 -2.238 203 1HE2 GLN 48 2HE2 GLN 48 6.357 7.435 -1.536 204 2HE2 GLN 48 1HE2 GLN 48 6.329 8.876 -2.560 205 HA PRO 49 HA PRO 49 5.802 3.097 -7.487 206 1HB PRO 49 2HB PRO 49 8.352 4.010 -8.837 207 2HB PRO 49 1HB PRO 49 6.711 3.832 -9.538 208 1HG PRO 49 1HG PRO 49 7.575 6.267 -8.766 209 2HG PRO 49 2HG PRO 49 5.912 5.741 -8.338 210 1HD PRO 49 1HD PRO 49 8.385 5.774 -6.608 211 2HD PRO 49 2HD PRO 49 6.709 6.254 -6.217 212 H GLY 50 H GLY 50 9.030 2.439 -6.217 213 1HA GLY 50 2HA GLY 50 10.131 0.434 -7.584 214 2HA GLY 50 1HA GLY 50 8.714 -0.427 -6.986 215 H HIS 51 H HIS 51 9.526 1.670 -4.529 216 HA HIS 51 HA HIS 51 11.846 0.541 -3.363 217 1HB HIS 51 1HB HIS 51 11.332 1.875 -1.508 218 2HB HIS 51 2HB HIS 51 10.642 2.765 -2.853 219 HD1 HIS 51 HD1 HIS 51 7.711 1.956 -3.101 220 HD2 HIS 51 HD2 HIS 51 9.836 1.512 0.514 221 HE1 HIS 51 HE1 HIS 51 5.993 1.465 -1.306 222 H PHE 52 H PHE 52 8.548 -0.623 -3.281 223 HA PHE 52 HA PHE 52 8.493 -1.754 -0.722 224 1HB PHE 52 1HB PHE 52 6.508 -3.006 -1.601 225 2HB PHE 52 2HB PHE 52 6.469 -1.268 -1.796 226 HD1 PHE 52 HD1 PHE 52 6.536 -0.211 -4.011 227 HD2 PHE 52 HD2 PHE 52 6.699 -4.505 -3.581 228 HE1 PHE 52 HE1 PHE 52 6.060 -0.477 -6.426 229 HE2 PHE 52 HE2 PHE 52 6.232 -4.759 -6.001 230 HZ PHE 52 HZ PHE 52 5.917 -2.745 -7.432 231 H SER 53 H SER 53 9.374 -3.370 -3.792 232 HA SER 53 HA SER 53 9.681 -5.995 -2.803 233 1HB SER 53 1HB SER 53 11.178 -4.631 -5.072 234 2HB SER 53 2HB SER 53 11.017 -6.382 -4.828 235 HG SER 53 HG SER 53 9.471 -5.586 -6.316 236 H LYS 54 H LYS 54 11.576 -3.367 -1.872 237 HA LYS 54 HA LYS 54 13.712 -5.156 -0.807 238 1HB LYS 54 1HB LYS 54 15.417 -3.519 -1.350 239 2HB LYS 54 2HB LYS 54 14.591 -4.083 -2.797 240 1HG LYS 54 1HG LYS 54 13.285 -1.997 -2.923 241 2HG LYS 54 2HG LYS 54 13.965 -1.448 -1.384 242 1HD LYS 54 1HD LYS 54 15.087 -0.297 -3.160 243 2HD LYS 54 2HD LYS 54 16.235 -1.425 -2.422 244 1HE LYS 54 1HE LYS 54 15.813 -3.044 -4.278 245 2HE LYS 54 2HE LYS 54 14.658 -1.913 -4.996 246 1HZ LYS 54 2HZ LYS 54 16.495 -0.326 -5.268 247 2HZ LYS 54 3HZ LYS 54 17.558 -1.377 -4.609 248 3HZ LYS 54 1HZ LYS 54 16.844 -1.723 -6.033 249 H GLN 55 H GLN 55 11.204 -3.601 0.286 250 HA GLN 55 HA GLN 55 12.534 -2.900 2.823 251 1HB GLN 55 1HB GLN 55 12.549 -0.801 1.379 252 2HB GLN 55 2HB GLN 55 10.783 -0.831 1.433 253 1HG GLN 55 1HG GLN 55 10.970 -0.771 3.988 254 2HG GLN 55 2HG GLN 55 12.711 -0.555 3.788 255 1HE2 GLN 55 1HE2 GLN 55 9.528 0.916 3.388 256 2HE2 GLN 55 2HE2 GLN 55 10.112 2.558 3.162 257 H CYS 56 H CYS 56 9.356 -2.905 1.125 258 HA CYS 56 HA CYS 56 8.004 -3.221 3.757 259 1HB CYS 56 1HB CYS 56 7.009 -2.099 1.108 260 2HB CYS 56 2HB CYS 56 6.101 -2.158 2.623 261 H ARG 57 H ARG 57 8.252 -4.749 0.620 262 HA ARG 57 HA ARG 57 6.406 -6.983 1.429 263 1HB ARG 57 1HB ARG 57 6.955 -5.859 -1.352 264 2HB ARG 57 2HB ARG 57 5.937 -7.246 -1.005 265 1HG ARG 57 1HG ARG 57 5.339 -4.379 -0.176 266 2HG ARG 57 2HG ARG 57 4.653 -5.247 -1.541 267 1HD ARG 57 1HD ARG 57 2.954 -5.578 -0.091 268 2HD ARG 57 2HD ARG 57 3.908 -6.988 0.346 269 HE ARG 57 HE ARG 57 4.853 -5.640 2.232 270 1HH1 ARG 57 1HH2 ARG 57 1.824 -4.393 0.944 271 2HH1 ARG 57 2HH2 ARG 57 1.644 -3.297 2.287 272 1HH2 ARG 57 2HH1 ARG 57 4.501 -4.358 3.888 273 2HH2 ARG 57 1HH1 ARG 57 3.019 -3.433 4.022 274 H SER 58 H SER 58 9.575 -6.233 1.033 275 HA SER 58 HA SER 58 10.784 -8.343 -0.424 276 1HB SER 58 1HB SER 58 12.759 -7.815 1.105 277 2HB SER 58 2HB SER 58 12.117 -6.505 0.110 278 HG SER 58 HG SER 58 11.454 -6.953 2.849 No H/Q in entry = 278 Start of MODEL 4 1 H1 GLN 22 H3 GLN 22 -7.309 0.743 -5.799 2 H2 GLN 22 H2 GLN 22 -7.266 0.216 -7.353 3 H3 GLN 22 H1 GLN 22 -8.264 -0.504 -6.256 4 HA GLN 22 HA GLN 22 -6.434 -1.939 -6.616 5 1HB GLN 22 1HB GLN 22 -4.147 -1.242 -5.957 6 2HB GLN 22 2HB GLN 22 -4.721 -0.556 -7.454 7 1HG GLN 22 1HG GLN 22 -4.859 1.072 -4.877 8 2HG GLN 22 2HG GLN 22 -3.358 0.883 -5.769 9 1HE2 GLN 22 1HE2 GLN 22 -3.375 3.248 -6.091 10 2HE2 GLN 22 2HE2 GLN 22 -4.401 3.892 -7.366 11 H THR 23 H THR 23 -6.330 -3.411 -5.021 12 HA THR 23 HA THR 23 -7.785 -3.108 -2.736 13 HB THR 23 HB THR 23 -5.498 -5.083 -3.031 14 HG1 THR 23 HG1 THR 23 -6.994 -6.303 -4.187 15 1HG2 THR 23 2HG2 THR 23 -8.246 -5.327 -1.717 16 2HG2 THR 23 3HG2 THR 23 -7.054 -6.631 -1.879 17 3HG2 THR 23 1HG2 THR 23 -6.690 -5.240 -0.853 18 H CYS 24 H CYS 24 -7.584 -2.562 -0.675 19 HA CYS 24 HA CYS 24 -5.609 -0.905 0.360 20 1HB CYS 24 1HB CYS 24 -8.017 -1.357 1.099 21 2HB CYS 24 2HB CYS 24 -7.403 -2.782 1.941 22 H TYR 25 H TYR 25 -3.973 -1.124 1.907 23 HA TYR 25 HA TYR 25 -2.505 -3.614 2.186 24 1HB TYR 25 1HB TYR 25 -0.986 -2.442 3.416 25 2HB TYR 25 2HB TYR 25 -1.594 -1.191 2.354 26 HD1 TYR 25 HD1 TYR 25 -0.531 -1.786 5.577 27 HD2 TYR 25 HD2 TYR 25 -3.883 0.020 3.542 28 HE1 TYR 25 HE1 TYR 25 -1.017 -0.404 7.588 29 HE2 TYR 25 HE2 TYR 25 -4.386 1.349 5.563 30 HH TYR 25 HH TYR 25 -2.414 1.147 8.540 31 H ASN 26 H ASN 26 -5.305 -2.431 3.748 32 HA ASN 26 HA ASN 26 -4.962 -4.264 6.109 33 1HB ASN 26 1HB ASN 26 -4.461 -1.976 6.739 34 2HB ASN 26 2HB ASN 26 -5.898 -1.364 5.925 35 1HD2 ASN 26 1HD2 ASN 26 -7.962 -1.548 6.965 36 2HD2 ASN 26 2HD2 ASN 26 -8.054 -2.055 8.645 37 H CYS 27 H CYS 27 -7.394 -2.436 4.189 38 HA CYS 27 HA CYS 27 -9.587 -3.679 5.529 39 1HB CYS 27 1HB CYS 27 -9.530 -1.919 3.048 40 2HB CYS 27 2HB CYS 27 -10.918 -2.214 4.103 41 H GLY 28 H GLY 28 -7.783 -4.914 2.931 42 1HA GLY 28 2HA GLY 28 -9.378 -7.182 2.440 43 2HA GLY 28 1HA GLY 28 -8.102 -6.580 1.375 44 H LYS 29 H LYS 29 -9.386 -4.079 0.744 45 HA LYS 29 HA LYS 29 -11.905 -4.839 -0.682 46 1HB LYS 29 1HB LYS 29 -12.199 -3.583 1.421 47 2HB LYS 29 2HB LYS 29 -11.168 -2.311 0.820 48 1HG LYS 29 1HG LYS 29 -13.451 -1.601 0.611 49 2HG LYS 29 2HG LYS 29 -12.806 -1.831 -1.003 50 1HD LYS 29 1HD LYS 29 -15.112 -2.671 -0.826 51 2HD LYS 29 2HD LYS 29 -13.995 -3.958 -1.239 52 1HE LYS 29 1HE LYS 29 -15.577 -4.810 0.355 53 2HE LYS 29 2HE LYS 29 -13.997 -4.739 1.130 54 1HZ LYS 29 3HZ LYS 29 -16.171 -2.733 1.483 55 2HZ LYS 29 1HZ LYS 29 -15.763 -3.877 2.569 56 3HZ LYS 29 2HZ LYS 29 -14.718 -2.674 2.236 57 HA PRO 30 HA PRO 30 -9.307 -3.722 -4.231 58 1HB PRO 30 2HB PRO 30 -12.030 -3.809 -5.538 59 2HB PRO 30 1HB PRO 30 -10.460 -4.419 -6.156 60 1HG PRO 30 1HG PRO 30 -12.208 -6.133 -5.020 61 2HG PRO 30 2HG PRO 30 -10.468 -6.227 -4.587 62 1HD PRO 30 1HD PRO 30 -12.730 -4.969 -3.037 63 2HD PRO 30 2HD PRO 30 -11.367 -5.971 -2.453 64 H GLY 31 H GLY 31 -12.253 -1.869 -3.498 65 1HA GLY 31 2HA GLY 31 -12.948 0.264 -3.992 66 2HA GLY 31 1HA GLY 31 -11.757 0.321 -5.288 67 H HIS 32 H HIS 32 -9.424 -0.053 -3.581 68 HA HIS 32 HA HIS 32 -9.429 2.401 -1.896 69 1HB HIS 32 1HB HIS 32 -8.020 -0.226 -1.723 70 2HB HIS 32 2HB HIS 32 -7.139 1.198 -1.181 71 HD1 HIS 32 HD1 HIS 32 -10.553 -0.490 -0.476 72 HD2 HIS 32 HD2 HIS 32 -7.623 1.977 1.223 73 HE1 HIS 32 HE1 HIS 32 -11.274 -0.088 1.956 74 H LEU 33 H LEU 33 -7.555 3.618 -1.742 75 HA LEU 33 HA LEU 33 -5.853 4.142 -4.072 76 1HB LEU 33 1HB LEU 33 -8.052 6.024 -3.059 77 2HB LEU 33 2HB LEU 33 -6.770 6.518 -4.150 78 HG LEU 33 HG LEU 33 -8.928 4.481 -4.839 79 1HD1 LEU 33 2HD1 LEU 33 -9.814 6.756 -4.554 80 2HD1 LEU 33 3HD1 LEU 33 -8.579 7.388 -5.665 81 3HD1 LEU 33 1HD1 LEU 33 -9.826 6.268 -6.256 82 1HD2 LEU 33 1HD2 LEU 33 -6.798 5.834 -6.563 83 2HD2 LEU 33 2HD2 LEU 33 -6.854 4.110 -6.132 84 3HD2 LEU 33 3HD2 LEU 33 -8.113 4.797 -7.159 85 H SER 34 H SER 34 -4.415 6.036 -3.508 86 HA SER 34 HA SER 34 -3.296 6.122 -0.922 87 1HB SER 34 1HB SER 34 -3.352 8.265 -3.085 88 2HB SER 34 2HB SER 34 -2.218 8.206 -1.723 89 HG SER 34 HG SER 34 -1.440 7.270 -3.753 90 H SER 35 H SER 35 -6.259 7.586 -1.935 91 HA SER 35 HA SER 35 -6.385 9.439 0.387 92 1HB SER 35 1HB SER 35 -8.390 10.306 -0.813 93 2HB SER 35 2HB SER 35 -6.898 10.413 -1.764 94 HG SER 35 HG SER 35 -8.672 9.564 -2.979 95 H GLN 36 H GLN 36 -7.306 6.250 -0.355 96 HA GLN 36 HA GLN 36 -9.823 6.312 1.226 97 1HB GLN 36 1HB GLN 36 -9.449 5.060 -1.039 98 2HB GLN 36 2HB GLN 36 -8.543 3.901 -0.076 99 1HG GLN 36 1HG GLN 36 -10.686 2.962 -0.138 100 2HG GLN 36 2HG GLN 36 -10.719 3.789 1.410 101 1HE2 GLN 36 2HE2 GLN 36 -12.076 3.620 -1.844 102 2HE2 GLN 36 1HE2 GLN 36 -13.245 4.913 -1.602 103 H CYS 37 H CYS 37 -6.563 4.882 1.274 104 HA CYS 37 HA CYS 37 -6.500 4.943 4.195 105 1HB CYS 37 1HB CYS 37 -6.125 2.387 2.585 106 2HB CYS 37 2HB CYS 37 -5.237 2.631 4.063 107 H ARG 38 H ARG 38 -4.154 4.352 4.891 108 HA ARG 38 HA ARG 38 -2.337 6.250 3.877 109 1HB ARG 38 1HB ARG 38 -1.797 3.695 5.464 110 2HB ARG 38 2HB ARG 38 -0.593 4.918 5.096 111 1HG ARG 38 1HG ARG 38 -1.090 5.668 7.115 112 2HG ARG 38 2HG ARG 38 -2.322 6.584 6.265 113 1HD ARG 38 1HD ARG 38 -2.861 3.854 7.510 114 2HD ARG 38 2HD ARG 38 -2.880 5.319 8.477 115 HE ARG 38 HE ARG 38 -4.654 6.198 6.917 116 1HH1 ARG 38 1HH2 ARG 38 -4.457 2.727 7.561 117 2HH1 ARG 38 2HH2 ARG 38 -6.161 2.527 7.240 118 1HH2 ARG 38 2HH1 ARG 38 -6.818 5.810 6.609 119 2HH2 ARG 38 1HH1 ARG 38 -7.392 4.169 6.580 120 H ALA 39 H ALA 39 -2.655 2.852 2.855 121 HA ALA 39 HA ALA 39 -1.405 3.522 0.330 122 1HB ALA 39 1HB ALA 39 0.623 3.066 1.701 123 2HB ALA 39 2HB ALA 39 -0.065 1.494 2.181 124 3HB ALA 39 3HB ALA 39 0.398 1.784 0.500 125 HA PRO 40 HA PRO 40 -3.634 -0.336 -0.817 126 1HB PRO 40 2HB PRO 40 -2.509 -0.904 -3.221 127 2HB PRO 40 1HB PRO 40 -3.604 0.490 -2.990 128 1HG PRO 40 1HG PRO 40 -0.568 0.497 -2.982 129 2HG PRO 40 2HG PRO 40 -1.667 1.566 -3.909 130 1HD PRO 40 1HD PRO 40 -0.562 2.284 -1.506 131 2HD PRO 40 2HD PRO 40 -2.189 2.833 -2.004 132 H LYS 41 H LYS 41 -2.941 -2.596 -1.423 133 HA LYS 41 HA LYS 41 -1.263 -3.759 0.476 134 1HB LYS 41 1HB LYS 41 -3.213 -4.694 -0.907 135 2HB LYS 41 2HB LYS 41 -2.034 -5.047 -2.170 136 1HG LYS 41 1HG LYS 41 -0.832 -6.562 -0.641 137 2HG LYS 41 2HG LYS 41 -1.884 -6.076 0.706 138 1HD LYS 41 1HD LYS 41 -3.844 -7.017 -0.486 139 2HD LYS 41 2HD LYS 41 -2.794 -7.494 -1.840 140 1HE LYS 41 1HE LYS 41 -1.469 -8.929 -0.297 141 2HE LYS 41 2HE LYS 41 -2.516 -8.456 1.046 142 1HZ LYS 41 3HZ LYS 41 -3.416 -9.929 -1.375 143 2HZ LYS 41 1HZ LYS 41 -3.196 -10.585 0.100 144 3HZ LYS 41 2HZ LYS 41 -4.384 -9.493 -0.131 145 H VAL 42 H VAL 42 -0.124 -2.298 -2.344 146 HA VAL 42 HA VAL 42 2.385 -3.587 -2.813 147 HB VAL 42 HB VAL 42 1.633 -0.635 -2.966 148 1HG1 VAL 42 3HG1 VAL 42 3.888 -2.167 -4.317 149 2HG1 VAL 42 1HG1 VAL 42 3.421 -0.493 -4.688 150 3HG1 VAL 42 2HG1 VAL 42 4.063 -0.885 -3.096 151 1HG2 VAL 42 2HG2 VAL 42 1.523 -2.814 -5.100 152 2HG2 VAL 42 3HG2 VAL 42 0.125 -1.982 -4.384 153 3HG2 VAL 42 1HG2 VAL 42 1.258 -1.081 -5.386 154 H CYS 43 H CYS 43 1.339 -1.378 -0.231 155 HA CYS 43 HA CYS 43 3.949 -1.576 1.168 156 1HB CYS 43 1HB CYS 43 3.984 0.258 -0.572 157 2HB CYS 43 2HB CYS 43 2.678 1.059 0.308 158 H PHE 44 H PHE 44 3.313 0.605 2.845 159 HA PHE 44 HA PHE 44 0.670 0.153 4.093 160 1HB PHE 44 1HB PHE 44 1.471 -0.142 6.281 161 2HB PHE 44 2HB PHE 44 2.397 -1.266 5.307 162 HD1 PHE 44 HD1 PHE 44 2.508 1.579 7.562 163 HD2 PHE 44 HD2 PHE 44 4.827 -0.630 4.670 164 HE1 PHE 44 HE1 PHE 44 4.586 2.621 8.431 165 HE2 PHE 44 HE2 PHE 44 6.901 0.416 5.545 166 HZ PHE 44 HZ PHE 44 6.785 2.045 7.418 167 H LYS 45 H LYS 45 3.280 2.295 3.246 168 HA LYS 45 HA LYS 45 1.688 4.658 3.991 169 1HB LYS 45 1HB LYS 45 2.869 4.094 6.094 170 2HB LYS 45 2HB LYS 45 4.409 4.070 5.250 171 1HG LYS 45 1HG LYS 45 4.201 6.097 6.521 172 2HG LYS 45 2HG LYS 45 4.213 6.508 4.808 173 1HD LYS 45 1HD LYS 45 1.755 6.824 4.844 174 2HD LYS 45 2HD LYS 45 1.708 6.301 6.546 175 1HE LYS 45 1HE LYS 45 3.220 8.195 7.145 176 2HE LYS 45 2HE LYS 45 3.222 8.723 5.459 177 1HZ LYS 45 2HZ LYS 45 0.814 9.090 5.646 178 2HZ LYS 45 3HZ LYS 45 0.820 8.603 7.210 179 3HZ LYS 45 1HZ LYS 45 1.605 9.962 6.774 180 H CYS 46 H CYS 46 5.091 3.855 3.053 181 HA CYS 46 HA CYS 46 5.367 6.336 1.682 182 1HB CYS 46 1HB CYS 46 7.654 5.237 1.105 183 2HB CYS 46 2HB CYS 46 7.254 5.683 2.762 184 H LYS 47 H LYS 47 4.685 3.121 0.444 185 HA LYS 47 HA LYS 47 4.212 2.327 -1.661 186 1HB LYS 47 1HB LYS 47 2.132 3.304 -2.437 187 2HB LYS 47 2HB LYS 47 2.203 3.165 -0.688 188 1HG LYS 47 1HG LYS 47 2.745 5.584 -0.509 189 2HG LYS 47 2HG LYS 47 2.622 5.744 -2.263 190 1HD LYS 47 1HD LYS 47 0.273 5.201 -2.214 191 2HD LYS 47 2HD LYS 47 0.345 4.703 -0.516 192 1HE LYS 47 1HE LYS 47 1.016 7.526 -1.435 193 2HE LYS 47 2HE LYS 47 -0.623 7.024 -1.001 194 1HZ LYS 47 2HZ LYS 47 1.679 6.791 0.874 195 2HZ LYS 47 3HZ LYS 47 0.590 8.022 0.889 196 3HZ LYS 47 1HZ LYS 47 0.121 6.484 1.209 197 H GLN 48 H GLN 48 6.616 4.015 -2.022 198 HA GLN 48 HA GLN 48 6.382 5.372 -4.530 199 1HB GLN 48 1HB GLN 48 8.838 4.174 -3.180 200 2HB GLN 48 2HB GLN 48 8.882 5.282 -4.545 201 1HG GLN 48 1HG GLN 48 7.877 5.901 -1.739 202 2HG GLN 48 2HG GLN 48 9.345 6.486 -2.494 203 1HE2 GLN 48 2HE2 GLN 48 6.005 7.161 -1.996 204 2HE2 GLN 48 1HE2 GLN 48 5.911 8.529 -3.111 205 HA PRO 49 HA PRO 49 5.968 2.540 -7.666 206 1HB PRO 49 2HB PRO 49 8.475 3.581 -9.003 207 2HB PRO 49 1HB PRO 49 6.866 3.257 -9.728 208 1HG PRO 49 1HG PRO 49 7.531 5.776 -9.037 209 2HG PRO 49 2HG PRO 49 5.905 5.144 -8.614 210 1HD PRO 49 1HD PRO 49 8.333 5.427 -6.848 211 2HD PRO 49 2HD PRO 49 6.618 5.790 -6.503 212 H GLY 50 H GLY 50 9.181 2.119 -6.283 213 1HA GLY 50 2HA GLY 50 10.436 0.124 -7.551 214 2HA GLY 50 1HA GLY 50 9.045 -0.778 -6.958 215 H HIS 51 H HIS 51 9.665 1.456 -4.569 216 HA HIS 51 HA HIS 51 12.005 0.481 -3.292 217 1HB HIS 51 1HB HIS 51 11.398 1.878 -1.520 218 2HB HIS 51 2HB HIS 51 10.678 2.674 -2.910 219 HD1 HIS 51 HD1 HIS 51 7.808 1.752 -3.159 220 HD2 HIS 51 HD2 HIS 51 9.893 1.426 0.492 221 HE1 HIS 51 HE1 HIS 51 6.088 1.171 -1.389 222 H PHE 52 H PHE 52 8.735 -0.773 -3.230 223 HA PHE 52 HA PHE 52 8.653 -1.848 -0.650 224 1HB PHE 52 1HB PHE 52 6.733 -3.210 -1.579 225 2HB PHE 52 2HB PHE 52 6.633 -1.474 -1.742 226 HD1 PHE 52 HD1 PHE 52 7.107 -4.655 -3.601 227 HD2 PHE 52 HD2 PHE 52 6.633 -0.376 -3.914 228 HE1 PHE 52 HE1 PHE 52 6.714 -4.870 -6.039 229 HE2 PHE 52 HE2 PHE 52 6.220 -0.602 -6.342 230 HZ PHE 52 HZ PHE 52 6.274 -2.844 -7.418 231 H SER 53 H SER 53 9.627 -3.530 -3.663 232 HA SER 53 HA SER 53 10.117 -6.090 -2.559 233 1HB SER 53 1HB SER 53 11.541 -4.709 -4.867 234 2HB SER 53 2HB SER 53 11.478 -6.458 -4.565 235 HG SER 53 HG SER 53 9.912 -5.787 -6.103 236 H LYS 54 H LYS 54 11.741 -3.290 -1.701 237 HA LYS 54 HA LYS 54 14.214 -4.724 -0.821 238 1HB LYS 54 1HB LYS 54 14.021 -1.871 -1.884 239 2HB LYS 54 2HB LYS 54 15.488 -2.712 -1.371 240 1HG LYS 54 1HG LYS 54 15.175 -4.359 -3.226 241 2HG LYS 54 2HG LYS 54 13.756 -3.445 -3.774 242 1HD LYS 54 1HD LYS 54 15.182 -1.429 -4.086 243 2HD LYS 54 2HD LYS 54 16.607 -2.391 -3.626 244 1HE LYS 54 1HE LYS 54 16.133 -3.961 -5.504 245 2HE LYS 54 2HE LYS 54 14.723 -2.995 -5.956 246 1HZ LYS 54 1HZ LYS 54 16.230 -1.125 -6.396 247 2HZ LYS 54 2HZ LYS 54 17.533 -2.024 -5.985 248 3HZ LYS 54 3HZ LYS 54 16.653 -2.413 -7.303 249 H GLN 55 H GLN 55 11.490 -3.440 0.408 250 HA GLN 55 HA GLN 55 12.754 -2.878 2.991 251 1HB GLN 55 1HB GLN 55 12.849 -0.671 1.820 252 2HB GLN 55 2HB GLN 55 11.096 -0.703 1.635 253 1HG GLN 55 1HG GLN 55 10.888 -0.778 4.154 254 2HG GLN 55 2HG GLN 55 12.647 -0.672 4.267 255 1HE2 GLN 55 1HE2 GLN 55 9.676 1.077 3.458 256 2HE2 GLN 55 2HE2 GLN 55 10.422 2.673 3.427 257 H CYS 56 H CYS 56 9.555 -2.211 1.470 258 HA CYS 56 HA CYS 56 8.246 -2.939 3.944 259 1HB CYS 56 1HB CYS 56 7.174 -1.859 1.301 260 2HB CYS 56 2HB CYS 56 6.284 -1.941 2.830 261 H ARG 57 H ARG 57 8.766 -4.659 1.012 262 HA ARG 57 HA ARG 57 6.831 -6.802 1.737 263 1HB ARG 57 1HB ARG 57 6.166 -4.847 -0.105 264 2HB ARG 57 2HB ARG 57 6.978 -5.986 -1.153 265 1HG ARG 57 1HG ARG 57 4.957 -7.001 -1.295 266 2HG ARG 57 2HG ARG 57 5.304 -7.680 0.291 267 1HD ARG 57 1HD ARG 57 3.660 -5.220 -0.404 268 2HD ARG 57 2HD ARG 57 3.094 -6.717 0.350 269 HE ARG 57 HE ARG 57 5.077 -5.534 2.042 270 1HH1 ARG 57 1HH2 ARG 57 1.837 -4.708 0.995 271 2HH1 ARG 57 2HH2 ARG 57 1.646 -3.563 2.297 272 1HH2 ARG 57 2HH1 ARG 57 4.714 -4.225 3.690 273 2HH2 ARG 57 1HH1 ARG 57 3.140 -3.479 3.932 274 H SER 58 H SER 58 9.874 -6.374 1.525 275 HA SER 58 HA SER 58 11.194 -7.785 -0.420 276 1HB SER 58 1HB SER 58 11.822 -7.886 2.549 277 2HB SER 58 2HB SER 58 12.953 -8.147 1.208 278 HG SER 58 HG SER 58 13.018 -5.981 2.054 No H/Q in entry = 278 Start of MODEL 5 1 H1 GLN 22 H2 GLN 22 -8.160 -0.367 -6.125 2 H2 GLN 22 H1 GLN 22 -7.095 0.784 -5.659 3 H3 GLN 22 H3 GLN 22 -7.147 0.300 -7.234 4 HA GLN 22 HA GLN 22 -6.435 -1.919 -6.616 5 1HB GLN 22 1HB GLN 22 -4.735 -0.241 -7.308 6 2HB GLN 22 2HB GLN 22 -4.568 0.287 -5.637 7 1HG GLN 22 1HG GLN 22 -2.718 -1.151 -6.247 8 2HG GLN 22 2HG GLN 22 -3.677 -1.953 -5.013 9 1HE2 GLN 22 2HE2 GLN 22 -2.069 -2.552 -7.898 10 2HE2 GLN 22 1HE2 GLN 22 -3.007 -3.955 -8.394 11 H THR 23 H THR 23 -6.266 -3.475 -5.041 12 HA THR 23 HA THR 23 -7.734 -3.247 -2.733 13 HB THR 23 HB THR 23 -5.433 -5.185 -3.136 14 HG1 THR 23 HG1 THR 23 -6.976 -6.408 -4.225 15 1HG2 THR 23 3HG2 THR 23 -8.094 -5.461 -1.658 16 2HG2 THR 23 1HG2 THR 23 -6.917 -6.765 -1.918 17 3HG2 THR 23 2HG2 THR 23 -6.483 -5.391 -0.896 18 H CYS 24 H CYS 24 -7.527 -2.699 -0.683 19 HA CYS 24 HA CYS 24 -5.576 -1.000 0.321 20 1HB CYS 24 1HB CYS 24 -7.966 -1.476 1.078 21 2HB CYS 24 2HB CYS 24 -7.337 -2.887 1.928 22 H TYR 25 H TYR 25 -3.938 -1.163 1.864 23 HA TYR 25 HA TYR 25 -2.398 -3.608 2.155 24 1HB TYR 25 1HB TYR 25 -0.903 -2.377 3.359 25 2HB TYR 25 2HB TYR 25 -1.554 -1.159 2.284 26 HD1 TYR 25 HD1 TYR 25 -0.452 -1.681 5.506 27 HD2 TYR 25 HD2 TYR 25 -3.858 0.016 3.470 28 HE1 TYR 25 HE1 TYR 25 -0.952 -0.282 7.498 29 HE2 TYR 25 HE2 TYR 25 -4.385 1.355 5.478 30 HH TYR 25 HH TYR 25 -2.378 1.250 8.440 31 H ASN 26 H ASN 26 -5.215 -2.490 3.730 32 HA ASN 26 HA ASN 26 -4.810 -4.314 6.088 33 1HB ASN 26 1HB ASN 26 -4.331 -2.017 6.715 34 2HB ASN 26 2HB ASN 26 -5.793 -1.427 5.931 35 1HD2 ASN 26 2HD2 ASN 26 -7.830 -1.647 7.013 36 2HD2 ASN 26 1HD2 ASN 26 -7.885 -2.169 8.691 37 H CYS 27 H CYS 27 -7.283 -2.514 4.199 38 HA CYS 27 HA CYS 27 -9.450 -3.802 5.554 39 1HB CYS 27 1HB CYS 27 -9.446 -1.997 3.108 40 2HB CYS 27 2HB CYS 27 -10.811 -2.316 4.184 41 H GLY 28 H GLY 28 -7.660 -4.938 2.900 42 1HA GLY 28 2HA GLY 28 -9.210 -7.234 2.421 43 2HA GLY 28 1HA GLY 28 -7.950 -6.609 1.352 44 H LYS 29 H LYS 29 -9.395 -4.108 0.783 45 HA LYS 29 HA LYS 29 -11.773 -5.044 -0.776 46 1HB LYS 29 1HB LYS 29 -12.274 -3.809 1.306 47 2HB LYS 29 2HB LYS 29 -11.327 -2.454 0.730 48 1HG LYS 29 1HG LYS 29 -13.598 -1.899 0.375 49 2HG LYS 29 2HG LYS 29 -12.947 -2.244 -1.227 50 1HD LYS 29 1HD LYS 29 -13.982 -4.511 -1.157 51 2HD LYS 29 2HD LYS 29 -14.557 -4.193 0.493 52 1HE LYS 29 1HE LYS 29 -15.878 -2.255 -0.364 53 2HE LYS 29 2HE LYS 29 -15.343 -2.628 -2.008 54 1HZ LYS 29 1HZ LYS 29 -16.458 -4.795 -1.798 55 2HZ LYS 29 2HZ LYS 29 -16.950 -4.439 -0.280 56 3HZ LYS 29 3HZ LYS 29 -17.526 -3.588 -1.545 57 HA PRO 30 HA PRO 30 -9.223 -3.716 -4.263 58 1HB PRO 30 2HB PRO 30 -11.934 -3.730 -5.593 59 2HB PRO 30 1HB PRO 30 -10.363 -4.325 -6.221 60 1HG PRO 30 1HG PRO 30 -12.137 -6.069 -5.177 61 2HG PRO 30 2HG PRO 30 -10.401 -6.201 -4.735 62 1HD PRO 30 1HD PRO 30 -12.664 -4.987 -3.146 63 2HD PRO 30 2HD PRO 30 -11.315 -6.034 -2.602 64 H GLY 31 H GLY 31 -12.160 -1.890 -3.456 65 1HA GLY 31 2HA GLY 31 -12.876 0.247 -3.899 66 2HA GLY 31 1HA GLY 31 -11.674 0.351 -5.184 67 H HIS 32 H HIS 32 -9.331 -0.004 -3.533 68 HA HIS 32 HA HIS 32 -9.388 2.390 -1.759 69 1HB HIS 32 1HB HIS 32 -7.934 -0.222 -1.634 70 2HB HIS 32 2HB HIS 32 -7.113 1.207 -1.018 71 HD1 HIS 32 HD1 HIS 32 -10.418 -0.705 -0.429 72 HD2 HIS 32 HD2 HIS 32 -7.756 1.996 1.355 73 HE1 HIS 32 HE1 HIS 32 -11.235 -0.377 1.987 74 H LEU 33 H LEU 33 -7.673 3.720 -1.610 75 HA LEU 33 HA LEU 33 -5.747 4.224 -3.746 76 1HB LEU 33 1HB LEU 33 -8.184 6.003 -3.183 77 2HB LEU 33 2HB LEU 33 -6.781 6.538 -4.097 78 HG LEU 33 HG LEU 33 -8.683 4.333 -4.984 79 1HD1 LEU 33 1HD1 LEU 33 -9.713 6.559 -4.987 80 2HD1 LEU 33 2HD1 LEU 33 -8.347 7.206 -5.925 81 3HD1 LEU 33 3HD1 LEU 33 -9.426 5.983 -6.637 82 1HD2 LEU 33 3HD2 LEU 33 -6.373 5.713 -6.437 83 2HD2 LEU 33 1HD2 LEU 33 -6.401 4.014 -5.913 84 3HD2 LEU 33 2HD2 LEU 33 -7.520 4.565 -7.163 85 H SER 34 H SER 34 -4.586 6.355 -3.125 86 HA SER 34 HA SER 34 -3.851 6.705 -0.421 87 1HB SER 34 1HB SER 34 -3.953 8.709 -2.710 88 2HB SER 34 2HB SER 34 -3.083 8.960 -1.184 89 HG SER 34 HG SER 34 -1.941 7.991 -3.143 90 H SER 35 H SER 35 -6.711 7.901 -2.084 91 HA SER 35 HA SER 35 -7.538 9.719 0.058 92 1HB SER 35 1HB SER 35 -9.072 8.710 -2.367 93 2HB SER 35 2HB SER 35 -9.500 10.090 -1.335 94 HG SER 35 HG SER 35 -8.419 10.778 -3.225 95 H GLN 36 H GLN 36 -7.467 6.442 0.093 96 HA GLN 36 HA GLN 36 -10.073 6.137 1.543 97 1HB GLN 36 1HB GLN 36 -9.711 5.065 -0.842 98 2HB GLN 36 2HB GLN 36 -8.699 3.921 0.027 99 1HG GLN 36 1HG GLN 36 -10.759 2.839 0.004 100 2HG GLN 36 2HG GLN 36 -10.807 3.607 1.585 101 1HE2 GLN 36 2HE2 GLN 36 -12.202 3.487 -1.661 102 2HE2 GLN 36 1HE2 GLN 36 -13.472 4.664 -1.339 103 H CYS 37 H CYS 37 -6.706 4.918 1.277 104 HA CYS 37 HA CYS 37 -6.468 4.873 4.197 105 1HB CYS 37 1HB CYS 37 -6.064 2.409 2.460 106 2HB CYS 37 2HB CYS 37 -5.115 2.636 3.903 107 H ARG 38 H ARG 38 -4.079 4.392 4.764 108 HA ARG 38 HA ARG 38 -2.373 6.373 3.692 109 1HB ARG 38 1HB ARG 38 -1.671 3.810 5.201 110 2HB ARG 38 2HB ARG 38 -0.530 5.079 4.796 111 1HG ARG 38 1HG ARG 38 -0.948 5.719 6.882 112 2HG ARG 38 2HG ARG 38 -2.198 6.673 6.102 113 1HD ARG 38 1HD ARG 38 -2.741 3.901 7.236 114 2HD ARG 38 2HD ARG 38 -2.685 5.308 8.285 115 HE ARG 38 HE ARG 38 -4.490 6.311 6.807 116 1HH1 ARG 38 2HH1 ARG 38 -4.379 2.831 7.420 117 2HH1 ARG 38 1HH1 ARG 38 -6.096 2.685 7.149 118 1HH2 ARG 38 2HH2 ARG 38 -6.679 6.005 6.627 119 2HH2 ARG 38 1HH2 ARG 38 -7.329 4.393 6.684 120 H ALA 39 H ALA 39 -2.563 2.936 2.742 121 HA ALA 39 HA ALA 39 -1.406 3.587 0.140 122 1HB ALA 39 1HB ALA 39 -0.017 1.631 2.032 123 2HB ALA 39 2HB ALA 39 0.446 1.929 0.352 124 3HB ALA 39 3HB ALA 39 0.624 3.220 1.551 125 HA PRO 40 HA PRO 40 -3.616 -0.328 -0.864 126 1HB PRO 40 2HB PRO 40 -2.497 -0.949 -3.260 127 2HB PRO 40 1HB PRO 40 -3.628 0.424 -3.071 128 1HG PRO 40 1HG PRO 40 -0.595 0.494 -3.105 129 2HG PRO 40 2HG PRO 40 -1.732 1.521 -4.031 130 1HD PRO 40 1HD PRO 40 -0.586 2.310 -1.668 131 2HD PRO 40 2HD PRO 40 -2.231 2.825 -2.145 132 H LYS 41 H LYS 41 -2.905 -2.605 -1.437 133 HA LYS 41 HA LYS 41 -1.170 -3.715 0.444 134 1HB LYS 41 1HB LYS 41 -3.116 -4.725 -0.890 135 2HB LYS 41 2HB LYS 41 -1.955 -5.039 -2.179 136 1HG LYS 41 1HG LYS 41 -0.653 -6.493 -0.656 137 2HG LYS 41 2HG LYS 41 -1.721 -6.059 0.695 138 1HD LYS 41 1HD LYS 41 -3.636 -7.101 -0.493 139 2HD LYS 41 2HD LYS 41 -2.564 -7.522 -1.849 140 1HE LYS 41 1HE LYS 41 -1.156 -8.872 -0.296 141 2HE LYS 41 2HE LYS 41 -2.243 -8.468 1.038 142 1HZ LYS 41 3HZ LYS 41 -4.031 -9.616 -0.162 143 2HZ LYS 41 1HZ LYS 41 -3.023 -9.991 -1.393 144 3HZ LYS 41 2HZ LYS 41 -2.782 -10.632 0.086 145 H VAL 42 H VAL 42 -0.137 -2.294 -2.455 146 HA VAL 42 HA VAL 42 2.394 -3.496 -2.952 147 HB VAL 42 HB VAL 42 1.587 -0.559 -3.077 148 1HG1 VAL 42 3HG1 VAL 42 3.835 -2.052 -4.482 149 2HG1 VAL 42 1HG1 VAL 42 3.334 -0.384 -4.839 150 3HG1 VAL 42 2HG1 VAL 42 4.015 -0.771 -3.262 151 1HG2 VAL 42 2HG2 VAL 42 1.456 -2.730 -5.217 152 2HG2 VAL 42 3HG2 VAL 42 0.064 -1.921 -4.463 153 3HG2 VAL 42 1HG2 VAL 42 1.161 -1.000 -5.488 154 H CYS 43 H CYS 43 1.358 -1.300 -0.345 155 HA CYS 43 HA CYS 43 3.977 -1.509 1.025 156 1HB CYS 43 1HB CYS 43 4.013 0.334 -0.715 157 2HB CYS 43 2HB CYS 43 2.734 1.149 0.194 158 H PHE 44 H PHE 44 3.351 0.701 2.689 159 HA PHE 44 HA PHE 44 0.724 0.253 3.968 160 1HB PHE 44 1HB PHE 44 1.537 -0.050 6.147 161 2HB PHE 44 2HB PHE 44 2.465 -1.169 5.170 162 HD1 PHE 44 HD1 PHE 44 2.569 1.658 7.441 163 HD2 PHE 44 HD2 PHE 44 4.888 -0.510 4.517 164 HE1 PHE 44 HE1 PHE 44 4.645 2.709 8.306 165 HE2 PHE 44 HE2 PHE 44 6.959 0.549 5.386 166 HZ PHE 44 HZ PHE 44 6.842 2.161 7.274 167 H LYS 45 H LYS 45 3.392 2.367 3.170 168 HA LYS 45 HA LYS 45 1.796 4.749 3.817 169 1HB LYS 45 1HB LYS 45 2.864 4.204 5.986 170 2HB LYS 45 2HB LYS 45 4.445 4.157 5.220 171 1HG LYS 45 1HG LYS 45 4.183 6.205 6.453 172 2HG LYS 45 2HG LYS 45 4.295 6.588 4.737 173 1HD LYS 45 1HD LYS 45 1.837 6.917 4.633 174 2HD LYS 45 2HD LYS 45 1.697 6.436 6.342 175 1HE LYS 45 1HE LYS 45 3.186 8.337 6.975 176 2HE LYS 45 2HE LYS 45 3.288 8.817 5.277 177 1HZ LYS 45 3HZ LYS 45 0.876 9.204 5.315 178 2HZ LYS 45 1HZ LYS 45 0.790 8.764 6.892 179 3HZ LYS 45 2HZ LYS 45 1.609 10.106 6.459 180 H CYS 46 H CYS 46 5.213 3.852 3.036 181 HA CYS 46 HA CYS 46 5.671 6.320 1.713 182 1HB CYS 46 1HB CYS 46 7.900 5.076 1.162 183 2HB CYS 46 2HB CYS 46 7.492 5.538 2.812 184 H LYS 47 H LYS 47 4.843 3.180 0.386 185 HA LYS 47 HA LYS 47 4.384 2.452 -1.742 186 1HB LYS 47 1HB LYS 47 2.337 3.479 -2.483 187 2HB LYS 47 2HB LYS 47 2.419 3.368 -0.731 188 1HG LYS 47 1HG LYS 47 3.137 5.818 -0.700 189 2HG LYS 47 2HG LYS 47 2.762 5.882 -2.426 190 1HD LYS 47 1HD LYS 47 0.419 5.390 -1.970 191 2HD LYS 47 2HD LYS 47 0.790 4.996 -0.273 192 1HE LYS 47 1HE LYS 47 1.628 7.323 0.065 193 2HE LYS 47 2HE LYS 47 1.109 7.732 -1.580 194 1HZ LYS 47 2HZ LYS 47 -0.682 6.747 0.579 195 2HZ LYS 47 3HZ LYS 47 -0.560 8.315 0.110 196 3HZ LYS 47 1HZ LYS 47 -1.159 7.203 -0.934 197 H GLN 48 H GLN 48 6.850 4.048 -2.042 198 HA GLN 48 HA GLN 48 6.715 5.453 -4.531 199 1HB GLN 48 1HB GLN 48 9.094 4.111 -3.180 200 2HB GLN 48 2HB GLN 48 9.205 5.243 -4.518 201 1HG GLN 48 1HG GLN 48 8.211 5.848 -1.706 202 2HG GLN 48 2HG GLN 48 9.711 6.379 -2.441 203 1HE2 GLN 48 2HE2 GLN 48 6.406 7.203 -1.941 204 2HE2 GLN 48 1HE2 GLN 48 6.383 8.599 -3.025 205 HA PRO 49 HA PRO 49 6.200 2.717 -7.729 206 1HB PRO 49 2HB PRO 49 8.809 3.602 -8.983 207 2HB PRO 49 1HB PRO 49 7.206 3.394 -9.757 208 1HG PRO 49 1HG PRO 49 8.012 5.854 -9.009 209 2HG PRO 49 2HG PRO 49 6.337 5.325 -8.643 210 1HD PRO 49 1HD PRO 49 8.724 5.432 -6.803 211 2HD PRO 49 2HD PRO 49 7.025 5.891 -6.500 212 H GLY 50 H GLY 50 9.384 2.080 -6.330 213 1HA GLY 50 2HA GLY 50 10.490 0.002 -7.600 214 2HA GLY 50 1HA GLY 50 9.046 -0.804 -6.987 215 H HIS 51 H HIS 51 9.816 1.383 -4.610 216 HA HIS 51 HA HIS 51 12.114 0.310 -3.352 217 1HB HIS 51 1HB HIS 51 11.564 1.714 -1.563 218 2HB HIS 51 2HB HIS 51 10.881 2.548 -2.950 219 HD1 HIS 51 HD1 HIS 51 7.972 1.755 -3.203 220 HD2 HIS 51 HD2 HIS 51 10.041 1.317 0.443 221 HE1 HIS 51 HE1 HIS 51 6.227 1.248 -1.434 222 H PHE 52 H PHE 52 8.802 -0.807 -3.264 223 HA PHE 52 HA PHE 52 8.648 -1.782 -0.668 224 1HB PHE 52 1HB PHE 52 6.708 -3.156 -1.621 225 2HB PHE 52 2HB PHE 52 6.642 -1.414 -1.735 226 HD1 PHE 52 HD1 PHE 52 7.120 -4.547 -3.695 227 HD2 PHE 52 HD2 PHE 52 6.623 -0.263 -3.862 228 HE1 PHE 52 HE1 PHE 52 6.762 -4.675 -6.146 229 HE2 PHE 52 HE2 PHE 52 6.241 -0.403 -6.300 230 HZ PHE 52 HZ PHE 52 6.326 -2.603 -7.457 231 H SER 53 H SER 53 9.580 -3.663 -3.574 232 HA SER 53 HA SER 53 9.824 -6.197 -2.353 233 1HB SER 53 1HB SER 53 11.450 -5.048 -4.654 234 2HB SER 53 2HB SER 53 11.222 -6.769 -4.282 235 HG SER 53 HG SER 53 9.773 -6.037 -5.907 236 H LYS 54 H LYS 54 11.728 -3.488 -1.656 237 HA LYS 54 HA LYS 54 13.977 -5.113 -0.530 238 1HB LYS 54 1HB LYS 54 14.124 -2.331 -1.771 239 2HB LYS 54 2HB LYS 54 15.479 -3.262 -1.145 240 1HG LYS 54 1HG LYS 54 13.818 -4.000 -3.593 241 2HG LYS 54 2HG LYS 54 15.396 -3.223 -3.603 242 1HD LYS 54 1HD LYS 54 16.448 -5.188 -2.590 243 2HD LYS 54 2HD LYS 54 14.876 -6.000 -2.451 244 1HE LYS 54 1HE LYS 54 14.598 -5.874 -4.922 245 2HE LYS 54 2HE LYS 54 16.187 -5.112 -5.057 246 1HZ LYS 54 2HZ LYS 54 15.692 -7.839 -3.976 247 2HZ LYS 54 3HZ LYS 54 16.308 -7.509 -5.450 248 3HZ LYS 54 1HZ LYS 54 17.164 -7.138 -4.112 249 H GLN 55 H GLN 55 11.357 -3.602 0.537 250 HA GLN 55 HA GLN 55 12.651 -2.809 3.066 251 1HB GLN 55 1HB GLN 55 12.647 -0.746 1.587 252 2HB GLN 55 2HB GLN 55 10.883 -0.818 1.588 253 1HG GLN 55 1HG GLN 55 10.984 -0.679 4.142 254 2HG GLN 55 2HG GLN 55 12.726 -0.433 3.994 255 1HE2 GLN 55 1HE2 GLN 55 9.530 0.952 3.412 256 2HE2 GLN 55 2HE2 GLN 55 10.085 2.599 3.152 257 H CYS 56 H CYS 56 9.495 -2.904 1.331 258 HA CYS 56 HA CYS 56 8.106 -3.178 3.946 259 1HB CYS 56 1HB CYS 56 7.135 -2.202 1.228 260 2HB CYS 56 2HB CYS 56 6.199 -2.214 2.727 261 H ARG 57 H ARG 57 8.552 -4.869 0.942 262 HA ARG 57 HA ARG 57 6.643 -7.065 1.697 263 1HB ARG 57 1HB ARG 57 7.369 -6.030 -1.077 264 2HB ARG 57 2HB ARG 57 6.294 -7.377 -0.748 265 1HG ARG 57 1HG ARG 57 5.714 -4.476 -0.035 266 2HG ARG 57 2HG ARG 57 5.123 -5.356 -1.438 267 1HD ARG 57 1HD ARG 57 3.306 -5.583 -0.117 268 2HD ARG 57 2HD ARG 57 4.159 -7.043 0.374 269 HE ARG 57 HE ARG 57 5.058 -5.680 2.315 270 1HH1 ARG 57 2HH2 ARG 57 2.018 -4.574 0.925 271 2HH1 ARG 57 1HH2 ARG 57 1.772 -3.457 2.239 272 1HH2 ARG 57 2HH1 ARG 57 4.606 -4.399 3.944 273 2HH2 ARG 57 1HH1 ARG 57 3.084 -3.533 4.025 274 H SER 58 H SER 58 9.730 -6.496 1.876 275 HA SER 58 HA SER 58 11.329 -8.104 0.344 276 1HB SER 58 1HB SER 58 11.578 -7.739 3.348 277 2HB SER 58 2HB SER 58 12.879 -8.144 2.211 278 HG SER 58 HG SER 58 12.798 -5.883 2.691 No H/Q in entry = 278 Start of MODEL 6 1 H1 GLN 22 H3 GLN 22 -7.105 0.980 -5.618 2 H2 GLN 22 H2 GLN 22 -7.158 0.544 -7.208 3 H3 GLN 22 H1 GLN 22 -8.178 -0.149 -6.121 4 HA GLN 22 HA GLN 22 -6.474 -1.701 -6.655 5 1HB GLN 22 1HB GLN 22 -4.757 -0.031 -7.310 6 2HB GLN 22 2HB GLN 22 -4.577 0.455 -5.626 7 1HG GLN 22 1HG GLN 22 -2.746 -0.992 -6.295 8 2HG GLN 22 2HG GLN 22 -3.698 -1.800 -5.059 9 1HE2 GLN 22 1HE2 GLN 22 -2.132 -2.385 -7.968 10 2HE2 GLN 22 2HE2 GLN 22 -3.098 -3.768 -8.470 11 H THR 23 H THR 23 -6.226 -3.299 -5.125 12 HA THR 23 HA THR 23 -7.737 -3.175 -2.841 13 HB THR 23 HB THR 23 -5.386 -5.046 -3.254 14 HG1 THR 23 HG1 THR 23 -6.891 -6.274 -4.394 15 1HG2 THR 23 1HG2 THR 23 -8.058 -5.392 -1.816 16 2HG2 THR 23 2HG2 THR 23 -6.872 -6.684 -2.099 17 3HG2 THR 23 3HG2 THR 23 -6.456 -5.333 -1.040 18 H CYS 24 H CYS 24 -7.593 -2.639 -0.781 19 HA CYS 24 HA CYS 24 -5.707 -0.925 0.303 20 1HB CYS 24 1HB CYS 24 -8.080 -1.478 1.038 21 2HB CYS 24 2HB CYS 24 -7.431 -2.919 1.815 22 H TYR 25 H TYR 25 -4.030 -1.072 1.811 23 HA TYR 25 HA TYR 25 -2.437 -3.461 2.023 24 1HB TYR 25 1HB TYR 25 -0.982 -2.275 3.288 25 2HB TYR 25 2HB TYR 25 -1.667 -1.018 2.288 26 HD1 TYR 25 HD1 TYR 25 -0.486 -1.642 5.436 27 HD2 TYR 25 HD2 TYR 25 -4.025 -0.010 3.575 28 HE1 TYR 25 HE1 TYR 25 -1.009 -0.392 7.519 29 HE2 TYR 25 HE2 TYR 25 -4.571 1.180 5.684 30 HH TYR 25 HH TYR 25 -2.502 0.983 8.588 31 H ASN 26 H ASN 26 -5.247 -2.479 3.722 32 HA ASN 26 HA ASN 26 -4.789 -4.480 5.920 33 1HB ASN 26 1HB ASN 26 -4.395 -2.223 6.711 34 2HB ASN 26 2HB ASN 26 -5.869 -1.626 5.954 35 1HD2 ASN 26 2HD2 ASN 26 -7.906 -1.968 6.997 36 2HD2 ASN 26 1HD2 ASN 26 -7.961 -2.604 8.634 37 H CYS 27 H CYS 27 -7.348 -2.637 4.181 38 HA CYS 27 HA CYS 27 -9.455 -4.083 5.462 39 1HB CYS 27 1HB CYS 27 -9.548 -2.177 3.086 40 2HB CYS 27 2HB CYS 27 -10.880 -2.586 4.177 41 H GLY 28 H GLY 28 -7.717 -4.785 2.554 42 1HA GLY 28 2HA GLY 28 -9.215 -7.138 1.906 43 2HA GLY 28 1HA GLY 28 -7.933 -6.404 0.942 44 H LYS 29 H LYS 29 -10.050 -3.923 1.118 45 HA LYS 29 HA LYS 29 -12.033 -4.767 -0.917 46 1HB LYS 29 1HB LYS 29 -11.580 -2.344 0.799 47 2HB LYS 29 2HB LYS 29 -12.427 -2.130 -0.724 48 1HG LYS 29 1HG LYS 29 -14.024 -2.363 0.989 49 2HG LYS 29 2HG LYS 29 -14.142 -3.765 -0.064 50 1HD LYS 29 1HD LYS 29 -12.541 -3.872 2.518 51 2HD LYS 29 2HD LYS 29 -14.300 -4.016 2.541 52 1HE LYS 29 1HE LYS 29 -14.257 -5.958 1.074 53 2HE LYS 29 2HE LYS 29 -12.508 -5.831 0.884 54 1HZ LYS 29 1HZ LYS 29 -13.885 -6.369 3.457 55 2HZ LYS 29 2HZ LYS 29 -13.077 -7.478 2.567 56 3HZ LYS 29 3HZ LYS 29 -12.262 -6.234 3.260 57 HA PRO 30 HA PRO 30 -9.249 -3.637 -4.339 58 1HB PRO 30 2HB PRO 30 -11.920 -3.541 -5.739 59 2HB PRO 30 1HB PRO 30 -10.370 -4.240 -6.303 60 1HG PRO 30 1HG PRO 30 -12.295 -5.853 -5.312 61 2HG PRO 30 2HG PRO 30 -10.587 -6.100 -4.815 62 1HD PRO 30 1HD PRO 30 -12.801 -4.697 -3.305 63 2HD PRO 30 2HD PRO 30 -11.576 -5.860 -2.715 64 H GLY 31 H GLY 31 -12.168 -1.776 -3.543 65 1HA GLY 31 2HA GLY 31 -12.862 0.368 -3.988 66 2HA GLY 31 1HA GLY 31 -11.620 0.486 -5.231 67 H HIS 32 H HIS 32 -9.336 0.081 -3.503 68 HA HIS 32 HA HIS 32 -9.434 2.447 -1.694 69 1HB HIS 32 1HB HIS 32 -7.989 -0.168 -1.588 70 2HB HIS 32 2HB HIS 32 -7.167 1.244 -0.939 71 HD1 HIS 32 HD1 HIS 32 -10.563 -0.559 -0.442 72 HD2 HIS 32 HD2 HIS 32 -7.770 1.912 1.468 73 HE1 HIS 32 HE1 HIS 32 -11.358 -0.316 1.989 74 H LEU 33 H LEU 33 -7.639 3.714 -1.440 75 HA LEU 33 HA LEU 33 -5.747 4.300 -3.592 76 1HB LEU 33 1HB LEU 33 -8.107 6.102 -2.827 77 2HB LEU 33 2HB LEU 33 -6.719 6.661 -3.749 78 HG LEU 33 HG LEU 33 -8.713 4.573 -4.715 79 1HD1 LEU 33 1HD1 LEU 33 -9.677 6.824 -4.531 80 2HD1 LEU 33 2HD1 LEU 33 -8.330 7.493 -5.477 81 3HD1 LEU 33 3HD1 LEU 33 -9.469 6.349 -6.225 82 1HD2 LEU 33 2HD2 LEU 33 -6.416 5.987 -6.154 83 2HD2 LEU 33 3HD2 LEU 33 -6.477 4.257 -5.745 84 3HD2 LEU 33 1HD2 LEU 33 -7.620 4.925 -6.915 85 H SER 34 H SER 34 -4.460 6.294 -2.870 86 HA SER 34 HA SER 34 -3.613 6.376 -0.185 87 1HB SER 34 1HB SER 34 -3.595 8.655 -2.196 88 2HB SER 34 2HB SER 34 -2.518 8.459 -0.800 89 HG SER 34 HG SER 34 -1.674 7.775 -2.914 90 H SER 35 H SER 35 -6.510 7.750 -1.522 91 HA SER 35 HA SER 35 -7.011 9.571 0.757 92 1HB SER 35 1HB SER 35 -9.005 10.194 -0.605 93 2HB SER 35 2HB SER 35 -7.467 10.427 -1.453 94 HG SER 35 HG SER 35 -9.057 9.370 -2.757 95 H GLN 36 H GLN 36 -7.476 6.297 0.170 96 HA GLN 36 HA GLN 36 -10.056 6.132 1.675 97 1HB GLN 36 1HB GLN 36 -9.654 5.078 -0.697 98 2HB GLN 36 2HB GLN 36 -8.703 3.886 0.177 99 1HG GLN 36 1HG GLN 36 -10.793 2.866 0.069 100 2HG GLN 36 2HG GLN 36 -10.871 3.604 1.661 101 1HE2 GLN 36 2HE2 GLN 36 -12.181 3.571 -1.619 102 2HE2 GLN 36 1HE2 GLN 36 -13.419 4.787 -1.314 103 H CYS 37 H CYS 37 -6.739 4.848 1.527 104 HA CYS 37 HA CYS 37 -6.558 4.718 4.450 105 1HB CYS 37 1HB CYS 37 -6.121 2.305 2.640 106 2HB CYS 37 2HB CYS 37 -5.218 2.490 4.117 107 H ARG 38 H ARG 38 -4.175 4.244 5.004 108 HA ARG 38 HA ARG 38 -2.476 6.235 3.915 109 1HB ARG 38 1HB ARG 38 -1.867 3.754 5.572 110 2HB ARG 38 2HB ARG 38 -0.670 4.994 5.196 111 1HG ARG 38 1HG ARG 38 -1.394 6.385 6.772 112 2HG ARG 38 2HG ARG 38 -3.063 6.292 6.241 113 1HD ARG 38 1HD ARG 38 -1.690 4.256 8.047 114 2HD ARG 38 2HD ARG 38 -2.696 5.580 8.622 115 HE ARG 38 HE ARG 38 -3.578 3.040 7.586 116 1HH1 ARG 38 2HH2 ARG 38 -4.676 6.364 7.905 117 2HH1 ARG 38 1HH2 ARG 38 -6.350 5.904 7.784 118 1HH2 ARG 38 2HH1 ARG 38 -5.717 2.551 7.402 119 2HH2 ARG 38 1HH1 ARG 38 -6.913 3.805 7.434 120 H ALA 39 H ALA 39 -2.750 2.853 2.864 121 HA ALA 39 HA ALA 39 -1.618 3.634 0.328 122 1HB ALA 39 3HB ALA 39 -0.132 1.560 2.009 123 2HB ALA 39 1HB ALA 39 0.242 1.949 0.326 124 3HB ALA 39 2HB ALA 39 0.489 3.173 1.577 125 HA PRO 40 HA PRO 40 -3.717 -0.291 -0.903 126 1HB PRO 40 2HB PRO 40 -2.562 -0.745 -3.317 127 2HB PRO 40 1HB PRO 40 -3.763 0.562 -3.076 128 1HG PRO 40 1HG PRO 40 -0.735 0.781 -3.086 129 2HG PRO 40 2HG PRO 40 -1.918 1.791 -3.977 130 1HD PRO 40 1HD PRO 40 -0.830 2.537 -1.578 131 2HD PRO 40 2HD PRO 40 -2.500 2.979 -2.037 132 H LYS 41 H LYS 41 -2.929 -2.513 -1.476 133 HA LYS 41 HA LYS 41 -1.169 -3.468 0.447 134 1HB LYS 41 1HB LYS 41 -3.080 -4.639 -0.817 135 2HB LYS 41 2HB LYS 41 -1.931 -4.945 -2.106 136 1HG LYS 41 1HG LYS 41 -2.251 -6.900 -0.683 137 2HG LYS 41 2HG LYS 41 -0.579 -6.357 -0.587 138 1HD LYS 41 1HD LYS 41 -1.000 -5.317 1.603 139 2HD LYS 41 2HD LYS 41 -2.737 -5.689 1.465 140 1HE LYS 41 1HE LYS 41 -2.227 -8.099 1.482 141 2HE LYS 41 2HE LYS 41 -0.495 -7.748 1.579 142 1HZ LYS 41 1HZ LYS 41 -2.491 -6.939 3.634 143 2HZ LYS 41 2HZ LYS 41 -1.467 -8.204 3.777 144 3HZ LYS 41 3HZ LYS 41 -0.886 -6.680 3.729 145 H VAL 42 H VAL 42 -0.127 -2.240 -2.537 146 HA VAL 42 HA VAL 42 2.396 -3.464 -2.945 147 HB VAL 42 HB VAL 42 1.674 -0.512 -3.194 148 1HG1 VAL 42 3HG1 VAL 42 3.830 -2.162 -4.576 149 2HG1 VAL 42 1HG1 VAL 42 3.400 -0.488 -4.988 150 3HG1 VAL 42 2HG1 VAL 42 4.097 -0.845 -3.411 151 1HG2 VAL 42 3HG2 VAL 42 1.404 -2.774 -5.223 152 2HG2 VAL 42 1HG2 VAL 42 0.071 -1.848 -4.497 153 3HG2 VAL 42 2HG2 VAL 42 1.199 -1.046 -5.583 154 H CYS 43 H CYS 43 1.364 -1.203 -0.426 155 HA CYS 43 HA CYS 43 3.970 -1.360 0.977 156 1HB CYS 43 1HB CYS 43 3.956 0.478 -0.768 157 2HB CYS 43 2HB CYS 43 2.645 1.256 0.129 158 H PHE 44 H PHE 44 3.411 0.670 2.728 159 HA PHE 44 HA PHE 44 0.710 0.322 3.919 160 1HB PHE 44 1HB PHE 44 1.493 0.158 6.116 161 2HB PHE 44 2HB PHE 44 2.465 -0.995 5.222 162 HD1 PHE 44 HD1 PHE 44 2.470 1.962 7.326 163 HD2 PHE 44 HD2 PHE 44 4.880 -0.310 4.560 164 HE1 PHE 44 HE1 PHE 44 4.510 3.116 8.151 165 HE2 PHE 44 HE2 PHE 44 6.910 0.858 5.380 166 HZ PHE 44 HZ PHE 44 6.730 2.575 7.168 167 H LYS 45 H LYS 45 3.302 2.420 2.929 168 HA LYS 45 HA LYS 45 1.687 4.818 3.450 169 1HB LYS 45 1HB LYS 45 2.806 4.410 5.622 170 2HB LYS 45 2HB LYS 45 4.386 4.449 4.838 171 1HG LYS 45 1HG LYS 45 3.983 6.814 4.165 172 2HG LYS 45 2HG LYS 45 2.393 6.766 4.938 173 1HD LYS 45 1HD LYS 45 5.064 6.352 6.363 174 2HD LYS 45 2HD LYS 45 4.169 7.875 6.303 175 1HE LYS 45 1HE LYS 45 2.235 6.786 7.433 176 2HE LYS 45 2HE LYS 45 3.150 5.276 7.537 177 1HZ LYS 45 1HZ LYS 45 4.793 6.448 8.912 178 2HZ LYS 45 2HZ LYS 45 3.942 7.838 8.819 179 3HZ LYS 45 3HZ LYS 45 3.316 6.550 9.596 180 H CYS 46 H CYS 46 5.143 4.024 2.752 181 HA CYS 46 HA CYS 46 5.581 6.341 1.258 182 1HB CYS 46 1HB CYS 46 7.654 4.679 0.538 183 2HB CYS 46 2HB CYS 46 7.569 5.698 1.964 184 H LYS 47 H LYS 47 4.619 3.193 0.059 185 HA LYS 47 HA LYS 47 4.115 2.354 -1.996 186 1HB LYS 47 1HB LYS 47 2.154 3.358 -2.869 187 2HB LYS 47 2HB LYS 47 2.174 3.523 -1.119 188 1HG LYS 47 1HG LYS 47 2.859 5.914 -1.345 189 2HG LYS 47 2HG LYS 47 2.910 5.733 -3.097 190 1HD LYS 47 1HD LYS 47 0.839 6.804 -2.543 191 2HD LYS 47 2HD LYS 47 0.480 5.173 -3.094 192 1HE LYS 47 1HE LYS 47 -0.923 5.577 -1.218 193 2HE LYS 47 2HE LYS 47 0.320 4.450 -0.673 194 1HZ LYS 47 2HZ LYS 47 0.351 7.383 -0.175 195 2HZ LYS 47 3HZ LYS 47 -0.060 6.233 0.925 196 3HZ LYS 47 1HZ LYS 47 1.470 6.309 0.386 197 H GLN 48 H GLN 48 6.650 3.991 -2.348 198 HA GLN 48 HA GLN 48 6.570 5.116 -4.963 199 1HB GLN 48 1HB GLN 48 8.939 3.932 -3.461 200 2HB GLN 48 2HB GLN 48 9.054 4.959 -4.881 201 1HG GLN 48 1HG GLN 48 8.006 5.758 -2.138 202 2HG GLN 48 2HG GLN 48 9.509 6.258 -2.888 203 1HE2 GLN 48 2HE2 GLN 48 6.190 7.072 -2.484 204 2HE2 GLN 48 1HE2 GLN 48 6.160 8.379 -3.674 205 HA PRO 49 HA PRO 49 6.098 2.087 -7.876 206 1HB PRO 49 2HB PRO 49 8.695 2.873 -9.216 207 2HB PRO 49 1HB PRO 49 7.091 2.578 -9.961 208 1HG PRO 49 1HG PRO 49 7.883 5.106 -9.452 209 2HG PRO 49 2HG PRO 49 6.211 4.602 -9.037 210 1HD PRO 49 1HD PRO 49 8.596 4.904 -7.216 211 2HD PRO 49 2HD PRO 49 6.892 5.374 -6.958 212 H GLY 50 H GLY 50 9.339 1.671 -6.503 213 1HA GLY 50 2HA GLY 50 10.477 -0.501 -7.514 214 2HA GLY 50 1HA GLY 50 9.057 -1.284 -6.825 215 H HIS 51 H HIS 51 9.690 1.130 -4.664 216 HA HIS 51 HA HIS 51 12.034 0.290 -3.304 217 1HB HIS 51 1HB HIS 51 11.421 1.823 -1.655 218 2HB HIS 51 2HB HIS 51 10.720 2.499 -3.113 219 HD1 HIS 51 HD1 HIS 51 7.839 1.504 -3.294 220 HD2 HIS 51 HD2 HIS 51 9.897 1.708 0.382 221 HE1 HIS 51 HE1 HIS 51 6.102 1.200 -1.474 222 H PHE 52 H PHE 52 8.782 -1.020 -3.149 223 HA PHE 52 HA PHE 52 8.757 -1.933 -0.499 224 1HB PHE 52 1HB PHE 52 6.894 -3.413 -1.262 225 2HB PHE 52 2HB PHE 52 6.729 -1.713 -1.649 226 HD1 PHE 52 HD1 PHE 52 6.723 -0.898 -3.952 227 HD2 PHE 52 HD2 PHE 52 7.283 -5.090 -3.082 228 HE1 PHE 52 HE1 PHE 52 6.334 -1.448 -6.334 229 HE2 PHE 52 HE2 PHE 52 6.898 -5.630 -5.471 230 HZ PHE 52 HZ PHE 52 6.428 -3.811 -7.104 231 H SER 53 H SER 53 9.829 -3.738 -3.414 232 HA SER 53 HA SER 53 10.426 -6.196 -2.194 233 1HB SER 53 1HB SER 53 11.851 -4.855 -4.521 234 2HB SER 53 2HB SER 53 11.874 -6.588 -4.136 235 HG SER 53 HG SER 53 10.308 -6.091 -5.734 236 H LYS 54 H LYS 54 11.983 -3.294 -1.437 237 HA LYS 54 HA LYS 54 14.213 -4.743 -0.105 238 1HB LYS 54 1HB LYS 54 15.802 -3.010 -0.745 239 2HB LYS 54 2HB LYS 54 15.118 -3.799 -2.162 240 1HG LYS 54 1HG LYS 54 13.633 -1.875 -2.573 241 2HG LYS 54 2HG LYS 54 14.166 -1.108 -1.071 242 1HD LYS 54 1HD LYS 54 15.272 -0.035 -2.903 243 2HD LYS 54 2HD LYS 54 16.480 -0.955 -1.991 244 1HE LYS 54 1HE LYS 54 16.340 -2.788 -3.680 245 2HE LYS 54 2HE LYS 54 15.115 -1.872 -4.570 246 1HZ LYS 54 2HZ LYS 54 16.786 -0.129 -4.930 247 2HZ LYS 54 3HZ LYS 54 17.914 -0.979 -4.109 248 3HZ LYS 54 1HZ LYS 54 17.327 -1.550 -5.519 249 H GLN 55 H GLN 55 11.528 -3.325 0.686 250 HA GLN 55 HA GLN 55 12.638 -2.358 3.228 251 1HB GLN 55 1HB GLN 55 12.603 -0.335 1.677 252 2HB GLN 55 2HB GLN 55 10.845 -0.479 1.639 253 1HG GLN 55 1HG GLN 55 10.902 -0.310 4.204 254 2HG GLN 55 2HG GLN 55 12.626 0.043 4.066 255 1HE2 GLN 55 1HE2 GLN 55 9.356 1.203 3.416 256 2HE2 GLN 55 2HE2 GLN 55 9.801 2.880 3.135 257 H CYS 56 H CYS 56 9.554 -2.487 1.374 258 HA CYS 56 HA CYS 56 8.069 -2.969 3.892 259 1HB CYS 56 1HB CYS 56 7.125 -1.999 1.164 260 2HB CYS 56 2HB CYS 56 6.163 -2.080 2.644 261 H ARG 57 H ARG 57 9.181 -4.813 1.359 262 HA ARG 57 HA ARG 57 7.448 -7.108 1.988 263 1HB ARG 57 1HB ARG 57 6.648 -5.527 -0.058 264 2HB ARG 57 2HB ARG 57 7.884 -6.396 -0.934 265 1HG ARG 57 1HG ARG 57 5.625 -7.346 -1.228 266 2HG ARG 57 2HG ARG 57 6.721 -8.529 -0.523 267 1HD ARG 57 1HD ARG 57 4.411 -8.500 0.494 268 2HD ARG 57 2HD ARG 57 5.719 -8.322 1.646 269 HE ARG 57 HE ARG 57 5.151 -6.070 2.044 270 1HH1 ARG 57 1HH1 ARG 57 3.061 -7.268 -0.530 271 2HH1 ARG 57 2HH1 ARG 57 2.067 -5.819 -0.444 272 1HH2 ARG 57 2HH2 ARG 57 3.779 -4.341 2.074 273 2HH2 ARG 57 1HH2 ARG 57 2.440 -4.282 0.935 274 H SER 58 H SER 58 10.345 -6.278 2.236 275 HA SER 58 HA SER 58 12.164 -7.583 0.611 276 1HB SER 58 1HB SER 58 12.304 -7.349 3.637 277 2HB SER 58 2HB SER 58 13.667 -7.568 2.523 278 HG SER 58 HG SER 58 13.334 -5.347 3.113 No H/Q in entry = 278 Start of MODEL 7 1 H1 GLN 22 H1 GLN 22 -8.062 -0.472 -6.212 2 H2 GLN 22 H3 GLN 22 -7.098 0.762 -5.746 3 H3 GLN 22 H2 GLN 22 -7.051 0.226 -7.303 4 HA GLN 22 HA GLN 22 -6.184 -1.915 -6.585 5 1HB GLN 22 1HB GLN 22 -4.618 0.524 -5.636 6 2HB GLN 22 2HB GLN 22 -3.954 -1.105 -5.623 7 1HG GLN 22 1HG GLN 22 -4.920 0.320 -8.147 8 2HG GLN 22 2HG GLN 22 -3.260 0.258 -7.579 9 1HE2 GLN 22 1HE2 GLN 22 -2.847 -0.747 -9.762 10 2HE2 GLN 22 2HE2 GLN 22 -3.112 -2.481 -9.899 11 H THR 23 H THR 23 -6.263 -3.437 -5.022 12 HA THR 23 HA THR 23 -7.759 -3.164 -2.752 13 HB THR 23 HB THR 23 -5.482 -5.151 -3.045 14 HG1 THR 23 HG1 THR 23 -6.981 -6.350 -4.229 15 1HG2 THR 23 1HG2 THR 23 -8.247 -5.390 -1.765 16 2HG2 THR 23 2HG2 THR 23 -7.064 -6.700 -1.927 17 3HG2 THR 23 3HG2 THR 23 -6.700 -5.325 -0.881 18 H CYS 24 H CYS 24 -7.580 -2.627 -0.681 19 HA CYS 24 HA CYS 24 -5.607 -0.978 0.357 20 1HB CYS 24 1HB CYS 24 -8.010 -1.421 1.099 21 2HB CYS 24 2HB CYS 24 -7.404 -2.847 1.941 22 H TYR 25 H TYR 25 -3.976 -1.187 1.906 23 HA TYR 25 HA TYR 25 -2.487 -3.666 2.179 24 1HB TYR 25 1HB TYR 25 -0.973 -2.477 3.398 25 2HB TYR 25 2HB TYR 25 -1.601 -1.232 2.339 26 HD1 TYR 25 HD1 TYR 25 -0.509 -1.811 5.556 27 HD2 TYR 25 HD2 TYR 25 -3.890 -0.040 3.540 28 HE1 TYR 25 HE1 TYR 25 -0.999 -0.440 7.570 29 HE2 TYR 25 HE2 TYR 25 -4.406 1.271 5.569 30 HH TYR 25 HH TYR 25 -2.413 1.089 8.535 31 H ASN 26 H ASN 26 -5.297 -2.508 3.737 32 HA ASN 26 HA ASN 26 -4.957 -4.355 6.087 33 1HB ASN 26 1HB ASN 26 -4.447 -2.072 6.738 34 2HB ASN 26 2HB ASN 26 -5.884 -1.450 5.934 35 1HD2 ASN 26 1HD2 ASN 26 -7.943 -1.636 6.979 36 2HD2 ASN 26 2HD2 ASN 26 -8.035 -2.166 8.653 37 H CYS 27 H CYS 27 -7.377 -2.499 4.178 38 HA CYS 27 HA CYS 27 -9.578 -3.748 5.506 39 1HB CYS 27 1HB CYS 27 -9.517 -1.941 3.059 40 2HB CYS 27 2HB CYS 27 -10.898 -2.240 4.119 41 H GLY 28 H GLY 28 -7.788 -4.962 2.894 42 1HA GLY 28 2HA GLY 28 -9.410 -7.201 2.382 43 2HA GLY 28 1HA GLY 28 -8.120 -6.612 1.328 44 H LYS 29 H LYS 29 -9.385 -4.090 0.701 45 HA LYS 29 HA LYS 29 -11.870 -4.842 -0.793 46 1HB LYS 29 1HB LYS 29 -12.261 -3.618 1.292 47 2HB LYS 29 2HB LYS 29 -11.176 -2.351 0.785 48 1HG LYS 29 1HG LYS 29 -13.446 -1.605 0.491 49 2HG LYS 29 2HG LYS 29 -12.699 -1.758 -1.087 50 1HD LYS 29 1HD LYS 29 -15.020 -2.575 -1.107 51 2HD LYS 29 2HD LYS 29 -13.888 -3.852 -1.516 52 1HE LYS 29 1HE LYS 29 -15.575 -4.776 -0.081 53 2HE LYS 29 2HE LYS 29 -14.052 -4.756 0.804 54 1HZ LYS 29 3HZ LYS 29 -16.235 -2.756 1.114 55 2HZ LYS 29 1HZ LYS 29 -15.910 -3.959 2.162 56 3HZ LYS 29 2HZ LYS 29 -14.838 -2.748 1.965 57 HA PRO 30 HA PRO 30 -9.194 -3.695 -4.281 58 1HB PRO 30 2HB PRO 30 -11.899 -3.784 -5.620 59 2HB PRO 30 1HB PRO 30 -10.315 -4.363 -6.233 60 1HG PRO 30 1HG PRO 30 -12.038 -6.124 -5.139 61 2HG PRO 30 2HG PRO 30 -10.303 -6.190 -4.682 62 1HD PRO 30 1HD PRO 30 -12.612 -4.994 -3.150 63 2HD PRO 30 2HD PRO 30 -11.237 -5.974 -2.556 64 H GLY 31 H GLY 31 -12.150 -1.846 -3.580 65 1HA GLY 31 2HA GLY 31 -12.825 0.298 -4.057 66 2HA GLY 31 1HA GLY 31 -11.607 0.368 -5.329 67 H HIS 32 H HIS 32 -9.319 -0.056 -3.551 68 HA HIS 32 HA HIS 32 -9.342 2.393 -1.860 69 1HB HIS 32 1HB HIS 32 -7.946 -0.242 -1.669 70 2HB HIS 32 2HB HIS 32 -7.078 1.176 -1.099 71 HD1 HIS 32 HD1 HIS 32 -10.491 -0.535 -0.473 72 HD2 HIS 32 HD2 HIS 32 -7.625 1.960 1.294 73 HE1 HIS 32 HE1 HIS 32 -11.264 -0.153 1.948 74 H LEU 33 H LEU 33 -7.486 3.610 -1.671 75 HA LEU 33 HA LEU 33 -5.615 4.044 -3.873 76 1HB LEU 33 1HB LEU 33 -7.887 5.969 -3.142 77 2HB LEU 33 2HB LEU 33 -6.481 6.448 -4.079 78 HG LEU 33 HG LEU 33 -8.559 4.420 -4.990 79 1HD1 LEU 33 3HD1 LEU 33 -9.420 6.716 -4.875 80 2HD1 LEU 33 1HD1 LEU 33 -8.043 7.294 -5.839 81 3HD1 LEU 33 2HD1 LEU 33 -9.233 6.181 -6.553 82 1HD2 LEU 33 1HD2 LEU 33 -6.196 5.683 -6.461 83 2HD2 LEU 33 2HD2 LEU 33 -6.343 3.970 -6.009 84 3HD2 LEU 33 3HD2 LEU 33 -7.451 4.662 -7.199 85 H SER 34 H SER 34 -4.303 6.072 -3.260 86 HA SER 34 HA SER 34 -3.373 6.165 -0.558 87 1HB SER 34 1HB SER 34 -2.285 8.284 -1.338 88 2HB SER 34 2HB SER 34 -1.989 6.886 -2.391 89 HG SER 34 HG SER 34 -2.568 8.784 -3.577 90 H SER 35 H SER 35 -6.171 7.649 -2.011 91 HA SER 35 HA SER 35 -6.607 9.558 0.199 92 1HB SER 35 1HB SER 35 -8.608 10.165 -1.144 93 2HB SER 35 2HB SER 35 -7.092 10.294 -2.051 94 HG SER 35 HG SER 35 -8.762 9.222 -3.238 95 H GLN 36 H GLN 36 -7.196 6.259 -0.225 96 HA GLN 36 HA GLN 36 -9.771 6.274 1.292 97 1HB GLN 36 1HB GLN 36 -9.392 5.064 -1.004 98 2HB GLN 36 2HB GLN 36 -8.494 3.890 -0.050 99 1HG GLN 36 1HG GLN 36 -10.631 2.953 -0.118 100 2HG GLN 36 2HG GLN 36 -10.679 3.782 1.429 101 1HE2 GLN 36 2HE2 GLN 36 -11.984 3.627 -1.854 102 2HE2 GLN 36 1HE2 GLN 36 -13.166 4.910 -1.618 103 H CYS 37 H CYS 37 -6.497 4.853 1.285 104 HA CYS 37 HA CYS 37 -6.421 4.882 4.210 105 1HB CYS 37 1HB CYS 37 -6.035 2.353 2.562 106 2HB CYS 37 2HB CYS 37 -5.145 2.585 4.042 107 H ARG 38 H ARG 38 -4.071 4.320 4.897 108 HA ARG 38 HA ARG 38 -2.265 6.230 3.895 109 1HB ARG 38 1HB ARG 38 -1.696 3.650 5.433 110 2HB ARG 38 2HB ARG 38 -0.506 4.889 5.077 111 1HG ARG 38 1HG ARG 38 -0.992 5.575 7.126 112 2HG ARG 38 2HG ARG 38 -2.208 6.528 6.295 113 1HD ARG 38 1HD ARG 38 -2.797 3.778 7.462 114 2HD ARG 38 2HD ARG 38 -2.786 5.212 8.474 115 HE ARG 38 HE ARG 38 -4.539 6.172 6.920 116 1HH1 ARG 38 1HH2 ARG 38 -4.427 2.694 7.551 117 2HH1 ARG 38 2HH2 ARG 38 -6.137 2.540 7.234 118 1HH2 ARG 38 2HH1 ARG 38 -6.715 5.846 6.637 119 2HH2 ARG 38 1HH1 ARG 38 -7.345 4.226 6.645 120 H ALA 39 H ALA 39 -2.576 2.848 2.848 121 HA ALA 39 HA ALA 39 -1.379 3.537 0.302 122 1HB ALA 39 1HB ALA 39 0.675 3.066 1.622 123 2HB ALA 39 2HB ALA 39 -0.005 1.493 2.112 124 3HB ALA 39 3HB ALA 39 0.415 1.791 0.419 125 HA PRO 40 HA PRO 40 -3.670 -0.318 -0.795 126 1HB PRO 40 2HB PRO 40 -2.599 -0.882 -3.225 127 2HB PRO 40 1HB PRO 40 -3.708 0.499 -2.980 128 1HG PRO 40 1HG PRO 40 -0.675 0.541 -3.053 129 2HG PRO 40 2HG PRO 40 -1.815 1.600 -3.941 130 1HD PRO 40 1HD PRO 40 -0.636 2.323 -1.570 131 2HD PRO 40 2HD PRO 40 -2.280 2.864 -2.019 132 H LYS 41 H LYS 41 -2.949 -2.580 -1.423 133 HA LYS 41 HA LYS 41 -1.234 -3.722 0.446 134 1HB LYS 41 1HB LYS 41 -3.170 -4.699 -0.913 135 2HB LYS 41 2HB LYS 41 -2.006 -4.984 -2.209 136 1HG LYS 41 1HG LYS 41 -0.735 -6.513 -0.743 137 2HG LYS 41 2HG LYS 41 -1.740 -6.057 0.640 138 1HD LYS 41 1HD LYS 41 -2.430 -8.221 -0.162 139 2HD LYS 41 2HD LYS 41 -3.724 -7.056 -0.474 140 1HE LYS 41 1HE LYS 41 -3.022 -6.888 -2.845 141 2HE LYS 41 2HE LYS 41 -1.657 -7.968 -2.532 142 1HZ LYS 41 3HZ LYS 41 -4.518 -8.740 -2.271 143 2HZ LYS 41 1HZ LYS 41 -3.533 -9.168 -3.500 144 3HZ LYS 41 2HZ LYS 41 -3.247 -9.730 -1.998 145 H VAL 42 H VAL 42 -0.154 -2.215 -2.366 146 HA VAL 42 HA VAL 42 2.380 -3.415 -2.892 147 HB VAL 42 HB VAL 42 1.549 -0.482 -2.940 148 1HG1 VAL 42 3HG1 VAL 42 3.811 -1.915 -4.375 149 2HG1 VAL 42 1HG1 VAL 42 3.307 -0.237 -4.678 150 3HG1 VAL 42 2HG1 VAL 42 3.983 -0.675 -3.110 151 1HG2 VAL 42 3HG2 VAL 42 1.457 -2.592 -5.142 152 2HG2 VAL 42 1HG2 VAL 42 0.051 -1.818 -4.379 153 3HG2 VAL 42 2HG2 VAL 42 1.148 -0.857 -5.367 154 H CYS 43 H CYS 43 1.331 -1.246 -0.262 155 HA CYS 43 HA CYS 43 3.931 -1.493 1.140 156 1HB CYS 43 1HB CYS 43 4.009 0.374 -0.569 157 2HB CYS 43 2HB CYS 43 2.719 1.185 0.323 158 H PHE 44 H PHE 44 3.399 0.572 2.915 159 HA PHE 44 HA PHE 44 0.686 0.261 4.079 160 1HB PHE 44 1HB PHE 44 1.455 -0.103 6.287 161 2HB PHE 44 2HB PHE 44 2.257 -1.297 5.289 162 HD1 PHE 44 HD1 PHE 44 2.677 1.484 7.589 163 HD2 PHE 44 HD2 PHE 44 4.730 -0.914 4.648 164 HE1 PHE 44 HE1 PHE 44 4.861 2.242 8.493 165 HE2 PHE 44 HE2 PHE 44 6.911 -0.146 5.551 166 HZ PHE 44 HZ PHE 44 6.982 1.427 7.474 167 H LYS 45 H LYS 45 3.223 2.274 3.096 168 HA LYS 45 HA LYS 45 2.060 4.745 4.226 169 1HB LYS 45 1HB LYS 45 3.370 3.953 6.109 170 2HB LYS 45 2HB LYS 45 4.749 3.586 5.077 171 1HG LYS 45 1HG LYS 45 5.073 6.030 4.653 172 2HG LYS 45 2HG LYS 45 3.659 6.377 5.648 173 1HD LYS 45 1HD LYS 45 5.739 6.746 6.896 174 2HD LYS 45 2HD LYS 45 4.769 5.473 7.624 175 1HE LYS 45 1HE LYS 45 7.108 4.866 7.695 176 2HE LYS 45 2HE LYS 45 6.236 3.741 6.656 177 1HZ LYS 45 1HZ LYS 45 7.811 6.040 5.616 178 2HZ LYS 45 2HZ LYS 45 8.398 4.524 5.745 179 3HZ LYS 45 3HZ LYS 45 7.173 4.810 4.724 180 H CYS 46 H CYS 46 5.175 3.608 2.887 181 HA CYS 46 HA CYS 46 5.734 6.100 1.700 182 1HB CYS 46 1HB CYS 46 7.465 4.011 0.692 183 2HB CYS 46 2HB CYS 46 7.809 5.323 1.794 184 H LYS 47 H LYS 47 4.596 3.094 0.270 185 HA LYS 47 HA LYS 47 3.974 2.456 -1.842 186 1HB LYS 47 1HB LYS 47 1.969 3.682 -2.538 187 2HB LYS 47 2HB LYS 47 2.044 3.367 -0.811 188 1HG LYS 47 1HG LYS 47 2.771 5.693 -0.394 189 2HG LYS 47 2HG LYS 47 2.689 6.045 -2.123 190 1HD LYS 47 1HD LYS 47 0.304 5.766 -2.133 191 2HD LYS 47 2HD LYS 47 0.291 5.052 -0.511 192 1HE LYS 47 1HE LYS 47 1.287 7.881 -1.065 193 2HE LYS 47 2HE LYS 47 -0.402 7.524 -0.695 194 1HZ LYS 47 3HZ LYS 47 1.852 6.847 1.129 195 2HZ LYS 47 1HZ LYS 47 0.838 8.123 1.311 196 3HZ LYS 47 2HZ LYS 47 0.272 6.588 1.422 197 H GLN 48 H GLN 48 6.488 4.046 -2.137 198 HA GLN 48 HA GLN 48 6.305 5.417 -4.654 199 1HB GLN 48 1HB GLN 48 8.733 4.172 -3.297 200 2HB GLN 48 2HB GLN 48 8.788 5.290 -4.653 201 1HG GLN 48 1HG GLN 48 7.829 5.895 -1.829 202 2HG GLN 48 2HG GLN 48 9.290 6.475 -2.605 203 1HE2 GLN 48 2HE2 GLN 48 5.983 7.198 -2.011 204 2HE2 GLN 48 1HE2 GLN 48 5.876 8.570 -3.118 205 HA PRO 49 HA PRO 49 5.804 2.501 -7.708 206 1HB PRO 49 2HB PRO 49 8.298 3.491 -9.108 207 2HB PRO 49 1HB PRO 49 6.676 3.164 -9.799 208 1HG PRO 49 1HG PRO 49 7.376 5.691 -9.177 209 2HG PRO 49 2HG PRO 49 5.749 5.087 -8.721 210 1HD PRO 49 1HD PRO 49 8.201 5.390 -6.988 211 2HD PRO 49 2HD PRO 49 6.492 5.774 -6.636 212 H GLY 50 H GLY 50 9.037 2.097 -6.365 213 1HA GLY 50 2HA GLY 50 10.234 0.050 -7.635 214 2HA GLY 50 1HA GLY 50 8.871 -0.816 -6.932 215 H HIS 51 H HIS 51 9.463 1.397 -4.596 216 HA HIS 51 HA HIS 51 11.921 0.523 -3.413 217 1HB HIS 51 1HB HIS 51 11.350 1.922 -1.635 218 2HB HIS 51 2HB HIS 51 10.596 2.698 -3.015 219 HD1 HIS 51 HD1 HIS 51 7.711 1.785 -3.165 220 HD2 HIS 51 HD2 HIS 51 9.898 1.602 0.437 221 HE1 HIS 51 HE1 HIS 51 6.028 1.368 -1.313 222 H PHE 52 H PHE 52 8.669 -0.739 -3.201 223 HA PHE 52 HA PHE 52 8.644 -1.722 -0.607 224 1HB PHE 52 1HB PHE 52 6.712 -3.141 -1.483 225 2HB PHE 52 2HB PHE 52 6.605 -1.403 -1.645 226 HD1 PHE 52 HD1 PHE 52 6.539 -0.309 -3.805 227 HD2 PHE 52 HD2 PHE 52 7.080 -4.581 -3.526 228 HE1 PHE 52 HE1 PHE 52 6.104 -0.523 -6.229 229 HE2 PHE 52 HE2 PHE 52 6.666 -4.785 -5.963 230 HZ PHE 52 HZ PHE 52 6.182 -2.755 -7.323 231 H SER 53 H SER 53 9.543 -3.588 -3.543 232 HA SER 53 HA SER 53 9.920 -6.086 -2.275 233 1HB SER 53 1HB SER 53 11.360 -4.980 -4.715 234 2HB SER 53 2HB SER 53 11.202 -6.690 -4.271 235 HG SER 53 HG SER 53 9.629 -6.063 -5.810 236 H LYS 54 H LYS 54 11.746 -3.343 -1.634 237 HA LYS 54 HA LYS 54 14.028 -4.943 -0.553 238 1HB LYS 54 1HB LYS 54 14.221 -2.199 -1.878 239 2HB LYS 54 2HB LYS 54 15.530 -3.080 -1.104 240 1HG LYS 54 1HG LYS 54 16.032 -3.728 -3.191 241 2HG LYS 54 2HG LYS 54 14.868 -4.993 -2.848 242 1HD LYS 54 1HD LYS 54 14.358 -4.191 -5.019 243 2HD LYS 54 2HD LYS 54 13.101 -3.489 -3.992 244 1HE LYS 54 1HE LYS 54 14.362 -1.352 -3.896 245 2HE LYS 54 2HE LYS 54 15.658 -2.069 -4.864 246 1HZ LYS 54 1HZ LYS 54 14.035 -2.355 -6.677 247 2HZ LYS 54 2HZ LYS 54 12.860 -1.639 -5.779 248 3HZ LYS 54 3HZ LYS 54 14.168 -0.784 -6.259 249 H GLN 55 H GLN 55 11.410 -3.464 0.528 250 HA GLN 55 HA GLN 55 12.704 -2.767 3.069 251 1HB GLN 55 1HB GLN 55 12.814 -0.640 1.745 252 2HB GLN 55 2HB GLN 55 11.053 -0.651 1.619 253 1HG GLN 55 1HG GLN 55 10.929 -0.575 4.144 254 2HG GLN 55 2HG GLN 55 12.694 -0.501 4.195 255 1HE2 GLN 55 1HE2 GLN 55 9.736 1.258 3.369 256 2HE2 GLN 55 2HE2 GLN 55 10.509 2.834 3.231 257 H CYS 56 H CYS 56 9.523 -2.338 1.435 258 HA CYS 56 HA CYS 56 8.179 -2.827 3.994 259 1HB CYS 56 1HB CYS 56 7.166 -1.760 1.325 260 2HB CYS 56 2HB CYS 56 6.289 -1.748 2.861 261 H ARG 57 H ARG 57 8.679 -4.611 1.109 262 HA ARG 57 HA ARG 57 6.681 -6.688 1.860 263 1HB ARG 57 1HB ARG 57 6.102 -4.790 -0.065 264 2HB ARG 57 2HB ARG 57 6.914 -5.980 -1.052 265 1HG ARG 57 1HG ARG 57 4.869 -6.946 -1.207 266 2HG ARG 57 2HG ARG 57 5.176 -7.592 0.402 267 1HD ARG 57 1HD ARG 57 3.609 -5.106 -0.376 268 2HD ARG 57 2HD ARG 57 2.985 -6.574 0.388 269 HE ARG 57 HE ARG 57 4.971 -5.388 2.091 270 1HH1 ARG 57 1HH1 ARG 57 1.752 -4.589 0.995 271 2HH1 ARG 57 2HH1 ARG 57 1.530 -3.429 2.283 272 1HH2 ARG 57 1HH2 ARG 57 4.576 -4.074 3.731 273 2HH2 ARG 57 2HH2 ARG 57 2.991 -3.348 3.955 274 H SER 58 H SER 58 9.728 -6.322 1.725 275 HA SER 58 HA SER 58 11.084 -7.825 -0.127 276 1HB SER 58 1HB SER 58 11.624 -7.821 2.860 277 2HB SER 58 2HB SER 58 12.790 -8.137 1.562 278 HG SER 58 HG SER 58 12.854 -5.945 2.337 No H/Q in entry = 278 Start of MODEL 8 1 H1 GLN 22 H2 GLN 22 -7.108 0.613 -5.900 2 H2 GLN 22 H1 GLN 22 -7.137 -0.012 -7.427 3 H3 GLN 22 H3 GLN 22 -8.123 -0.618 -6.261 4 HA GLN 22 HA GLN 22 -6.350 -2.142 -6.604 5 1HB GLN 22 1HB GLN 22 -4.025 -1.472 -6.008 6 2HB GLN 22 2HB GLN 22 -4.634 -0.829 -7.527 7 1HG GLN 22 1HG GLN 22 -4.970 1.384 -6.545 8 2HG GLN 22 2HG GLN 22 -4.497 0.804 -4.951 9 1HE2 GLN 22 1HE2 GLN 22 -3.280 2.896 -6.877 10 2HE2 GLN 22 2HE2 GLN 22 -1.599 2.388 -6.960 11 H THR 23 H THR 23 -6.264 -3.552 -4.960 12 HA THR 23 HA THR 23 -7.739 -3.150 -2.721 13 HB THR 23 HB THR 23 -5.481 -5.170 -2.901 14 HG1 THR 23 HG1 THR 23 -6.971 -6.399 -4.056 15 1HG2 THR 23 3HG2 THR 23 -8.262 -5.328 -1.645 16 2HG2 THR 23 1HG2 THR 23 -7.093 -6.659 -1.746 17 3HG2 THR 23 2HG2 THR 23 -6.723 -5.251 -0.749 18 H CYS 24 H CYS 24 -7.586 -2.579 -0.665 19 HA CYS 24 HA CYS 24 -5.621 -0.917 0.392 20 1HB CYS 24 1HB CYS 24 -8.055 -1.328 1.068 21 2HB CYS 24 2HB CYS 24 -7.485 -2.741 1.955 22 H TYR 25 H TYR 25 -4.035 -1.125 1.988 23 HA TYR 25 HA TYR 25 -2.619 -3.636 2.373 24 1HB TYR 25 1HB TYR 25 -1.096 -2.450 3.583 25 2HB TYR 25 2HB TYR 25 -1.669 -1.221 2.477 26 HD1 TYR 25 HD1 TYR 25 -0.609 -1.675 5.700 27 HD2 TYR 25 HD2 TYR 25 -3.998 0.010 3.622 28 HE1 TYR 25 HE1 TYR 25 -1.096 -0.221 7.658 29 HE2 TYR 25 HE2 TYR 25 -4.505 1.407 5.591 30 HH TYR 25 HH TYR 25 -2.507 1.347 8.560 31 H ASN 26 H ASN 26 -5.445 -2.385 3.808 32 HA ASN 26 HA ASN 26 -5.194 -4.157 6.228 33 1HB ASN 26 1HB ASN 26 -4.692 -1.858 6.823 34 2HB ASN 26 2HB ASN 26 -6.098 -1.254 5.951 35 1HD2 ASN 26 1HD2 ASN 26 -8.194 -1.400 6.933 36 2HD2 ASN 26 2HD2 ASN 26 -8.345 -1.876 8.617 37 H CYS 27 H CYS 27 -7.545 -2.345 4.192 38 HA CYS 27 HA CYS 27 -9.789 -3.531 5.498 39 1HB CYS 27 1HB CYS 27 -9.639 -1.833 2.977 40 2HB CYS 27 2HB CYS 27 -11.060 -2.085 3.997 41 H GLY 28 H GLY 28 -7.937 -4.853 2.974 42 1HA GLY 28 2HA GLY 28 -9.558 -7.106 2.491 43 2HA GLY 28 1HA GLY 28 -8.244 -6.549 1.449 44 H LYS 29 H LYS 29 -9.480 -4.033 0.745 45 HA LYS 29 HA LYS 29 -11.953 -4.791 -0.763 46 1HB LYS 29 1HB LYS 29 -12.332 -3.493 1.292 47 2HB LYS 29 2HB LYS 29 -11.237 -2.255 0.732 48 1HG LYS 29 1HG LYS 29 -13.493 -1.495 0.401 49 2HG LYS 29 2HG LYS 29 -12.758 -1.741 -1.171 50 1HD LYS 29 1HD LYS 29 -15.087 -2.528 -1.138 51 2HD LYS 29 2HD LYS 29 -13.977 -3.844 -1.475 52 1HE LYS 29 1HE LYS 29 -15.672 -4.653 0.018 53 2HE LYS 29 2HE LYS 29 -14.147 -4.607 0.896 54 1HZ LYS 29 2HZ LYS 29 -16.297 -2.557 1.092 55 2HZ LYS 29 3HZ LYS 29 -15.986 -3.700 2.209 56 3HZ LYS 29 1HZ LYS 29 -14.897 -2.519 1.937 57 HA PRO 30 HA PRO 30 -9.225 -3.752 -4.242 58 1HB PRO 30 2HB PRO 30 -11.911 -3.832 -5.625 59 2HB PRO 30 1HB PRO 30 -10.330 -4.458 -6.193 60 1HG PRO 30 1HG PRO 30 -12.117 -6.151 -5.090 61 2HG PRO 30 2HG PRO 30 -10.391 -6.250 -4.605 62 1HD PRO 30 1HD PRO 30 -12.691 -4.960 -3.136 63 2HD PRO 30 2HD PRO 30 -11.353 -5.965 -2.500 64 H GLY 31 H GLY 31 -12.163 -1.861 -3.592 65 1HA GLY 31 2HA GLY 31 -12.822 0.277 -4.108 66 2HA GLY 31 1HA GLY 31 -11.611 0.309 -5.387 67 H HIS 32 H HIS 32 -9.275 -0.012 -3.780 68 HA HIS 32 HA HIS 32 -9.262 2.425 -2.059 69 1HB HIS 32 1HB HIS 32 -7.960 -0.255 -1.815 70 2HB HIS 32 2HB HIS 32 -7.048 1.141 -1.254 71 HD1 HIS 32 HD1 HIS 32 -10.499 -0.482 -0.610 72 HD2 HIS 32 HD2 HIS 32 -7.602 2.013 1.105 73 HE1 HIS 32 HE1 HIS 32 -11.284 -0.013 1.791 74 H LEU 33 H LEU 33 -7.403 3.609 -1.878 75 HA LEU 33 HA LEU 33 -5.461 3.943 -4.031 76 1HB LEU 33 1HB LEU 33 -7.734 5.920 -3.463 77 2HB LEU 33 2HB LEU 33 -6.291 6.345 -4.368 78 HG LEU 33 HG LEU 33 -8.369 4.314 -5.269 79 1HD1 LEU 33 1HD1 LEU 33 -9.182 6.631 -5.286 80 2HD1 LEU 33 2HD1 LEU 33 -7.758 7.136 -6.222 81 3HD1 LEU 33 3HD1 LEU 33 -8.947 6.018 -6.930 82 1HD2 LEU 33 1HD2 LEU 33 -5.923 5.463 -6.701 83 2HD2 LEU 33 2HD2 LEU 33 -6.129 3.774 -6.182 84 3HD2 LEU 33 3HD2 LEU 33 -7.172 4.437 -7.442 85 H SER 34 H SER 34 -4.105 5.930 -3.454 86 HA SER 34 HA SER 34 -3.208 6.166 -0.804 87 1HB SER 34 1HB SER 34 -3.197 8.260 -3.015 88 2HB SER 34 2HB SER 34 -2.134 8.240 -1.598 89 HG SER 34 HG SER 34 -1.228 7.313 -3.575 90 H SER 35 H SER 35 -6.096 7.566 -2.161 91 HA SER 35 HA SER 35 -6.460 9.532 0.023 92 1HB SER 35 1HB SER 35 -8.438 10.189 -1.349 93 2HB SER 35 2HB SER 35 -6.902 10.294 -2.223 94 HG SER 35 HG SER 35 -8.561 9.257 -3.453 95 H GLN 36 H GLN 36 -7.160 6.252 -0.424 96 HA GLN 36 HA GLN 36 -9.764 6.351 1.032 97 1HB GLN 36 1HB GLN 36 -9.362 5.092 -1.215 98 2HB GLN 36 2HB GLN 36 -8.469 3.933 -0.239 99 1HG GLN 36 1HG GLN 36 -10.612 2.998 -0.338 100 2HG GLN 36 2HG GLN 36 -10.660 3.810 1.217 101 1HE2 GLN 36 2HE2 GLN 36 -12.020 3.623 -2.011 102 2HE2 GLN 36 1HE2 GLN 36 -13.181 4.932 -1.791 103 H CYS 37 H CYS 37 -6.508 4.903 1.190 104 HA CYS 37 HA CYS 37 -6.562 4.992 4.110 105 1HB CYS 37 1HB CYS 37 -6.180 2.414 2.548 106 2HB CYS 37 2HB CYS 37 -5.299 2.661 4.029 107 H ARG 38 H ARG 38 -4.265 4.405 4.924 108 HA ARG 38 HA ARG 38 -2.370 6.254 3.965 109 1HB ARG 38 1HB ARG 38 -1.983 3.730 5.643 110 2HB ARG 38 2HB ARG 38 -0.705 4.871 5.272 111 1HG ARG 38 1HG ARG 38 -1.224 5.766 7.220 112 2HG ARG 38 2HG ARG 38 -2.412 6.668 6.299 113 1HD ARG 38 1HD ARG 38 -3.031 4.036 7.714 114 2HD ARG 38 2HD ARG 38 -3.073 5.577 8.549 115 HE ARG 38 HE ARG 38 -4.811 6.347 6.952 116 1HH1 ARG 38 2HH1 ARG 38 -4.574 2.868 7.536 117 2HH1 ARG 38 1HH1 ARG 38 -6.255 2.643 7.117 118 1HH2 ARG 38 2HH2 ARG 38 -6.947 5.922 6.520 119 2HH2 ARG 38 1HH2 ARG 38 -7.477 4.268 6.417 120 H ALA 39 H ALA 39 -2.710 2.854 2.970 121 HA ALA 39 HA ALA 39 -1.381 3.502 0.484 122 1HB ALA 39 3HB ALA 39 0.605 3.000 1.899 123 2HB ALA 39 1HB ALA 39 -0.126 1.441 2.360 124 3HB ALA 39 2HB ALA 39 0.383 1.726 0.692 125 HA PRO 40 HA PRO 40 -3.627 -0.323 -0.750 126 1HB PRO 40 2HB PRO 40 -2.429 -0.888 -3.113 127 2HB PRO 40 1HB PRO 40 -3.521 0.517 -2.916 128 1HG PRO 40 1HG PRO 40 -0.484 0.501 -2.803 129 2HG PRO 40 2HG PRO 40 -1.543 1.583 -3.762 130 1HD PRO 40 1HD PRO 40 -0.522 2.286 -1.324 131 2HD PRO 40 2HD PRO 40 -2.125 2.845 -1.878 132 H LYS 41 H LYS 41 -2.949 -2.594 -1.253 133 HA LYS 41 HA LYS 41 -1.341 -3.712 0.715 134 1HB LYS 41 1HB LYS 41 -3.212 -4.728 -0.674 135 2HB LYS 41 2HB LYS 41 -2.026 -5.021 -1.946 136 1HG LYS 41 1HG LYS 41 -0.752 -6.501 -0.433 137 2HG LYS 41 2HG LYS 41 -1.844 -6.097 0.909 138 1HD LYS 41 1HD LYS 41 -3.737 -7.117 -0.325 139 2HD LYS 41 2HD LYS 41 -2.650 -7.500 -1.680 140 1HE LYS 41 1HE LYS 41 -1.258 -8.893 -0.154 141 2HE LYS 41 2HE LYS 41 -2.352 -8.523 1.183 142 1HZ LYS 41 2HZ LYS 41 -3.122 -9.976 -1.295 143 2HZ LYS 41 3HZ LYS 41 -2.888 -10.662 0.166 144 3HZ LYS 41 1HZ LYS 41 -4.136 -9.637 -0.056 145 H VAL 42 H VAL 42 -0.146 -2.485 -2.249 146 HA VAL 42 HA VAL 42 2.356 -3.753 -2.593 147 HB VAL 42 HB VAL 42 1.651 -0.802 -2.900 148 1HG1 VAL 42 3HG1 VAL 42 3.848 -2.459 -4.202 149 2HG1 VAL 42 1HG1 VAL 42 3.407 -0.801 -4.666 150 3HG1 VAL 42 2HG1 VAL 42 4.073 -1.109 -3.065 151 1HG2 VAL 42 1HG2 VAL 42 1.439 -3.095 -4.902 152 2HG2 VAL 42 2HG2 VAL 42 0.083 -2.174 -4.212 153 3HG2 VAL 42 3HG2 VAL 42 1.223 -1.373 -5.285 154 H CYS 43 H CYS 43 1.340 -1.456 -0.104 155 HA CYS 43 HA CYS 43 3.938 -1.613 1.310 156 1HB CYS 43 1HB CYS 43 3.962 0.204 -0.460 157 2HB CYS 43 2HB CYS 43 2.651 1.004 0.417 158 H PHE 44 H PHE 44 3.332 0.514 2.992 159 HA PHE 44 HA PHE 44 0.668 0.119 4.231 160 1HB PHE 44 1HB PHE 44 1.489 -0.139 6.421 161 2HB PHE 44 2HB PHE 44 2.383 -1.297 5.454 162 HD1 PHE 44 HD1 PHE 44 2.579 1.589 7.656 163 HD2 PHE 44 HD2 PHE 44 4.808 -0.715 4.768 164 HE1 PHE 44 HE1 PHE 44 4.689 2.616 8.462 165 HE2 PHE 44 HE2 PHE 44 6.914 0.320 5.575 166 HZ PHE 44 HZ PHE 44 6.860 1.991 7.417 167 H LYS 45 H LYS 45 3.322 2.238 3.395 168 HA LYS 45 HA LYS 45 1.716 4.615 4.067 169 1HB LYS 45 1HB LYS 45 2.855 4.023 6.203 170 2HB LYS 45 2HB LYS 45 4.423 4.141 5.402 171 1HG LYS 45 1HG LYS 45 4.006 6.555 4.961 172 2HG LYS 45 2HG LYS 45 2.401 6.411 5.707 173 1HD LYS 45 1HD LYS 45 3.472 5.750 7.857 174 2HD LYS 45 2HD LYS 45 5.074 5.909 7.100 175 1HE LYS 45 1HE LYS 45 4.611 8.307 6.635 176 2HE LYS 45 2HE LYS 45 3.016 8.148 7.382 177 1HZ LYS 45 2HZ LYS 45 4.130 7.595 9.482 178 2HZ LYS 45 3HZ LYS 45 5.604 7.749 8.791 179 3HZ LYS 45 1HZ LYS 45 4.634 9.052 8.948 180 H CYS 46 H CYS 46 5.127 3.748 3.185 181 HA CYS 46 HA CYS 46 5.513 6.219 1.834 182 1HB CYS 46 1HB CYS 46 7.706 4.933 1.146 183 2HB CYS 46 2HB CYS 46 7.415 5.489 2.790 184 H LYS 47 H LYS 47 4.680 3.051 0.561 185 HA LYS 47 HA LYS 47 4.113 2.299 -1.530 186 1HB LYS 47 1HB LYS 47 2.016 3.299 -2.191 187 2HB LYS 47 2HB LYS 47 2.168 3.182 -0.444 188 1HG LYS 47 1HG LYS 47 2.764 5.601 -0.334 189 2HG LYS 47 2HG LYS 47 2.546 5.731 -2.082 190 1HD LYS 47 1HD LYS 47 0.203 5.223 -1.901 191 2HD LYS 47 2HD LYS 47 0.354 4.741 -0.205 192 1HE LYS 47 1HE LYS 47 1.023 7.548 -1.161 193 2HE LYS 47 2HE LYS 47 -0.611 7.074 -0.684 194 1HZ LYS 47 2HZ LYS 47 1.735 6.804 1.126 195 2HZ LYS 47 3HZ LYS 47 0.662 8.048 1.178 196 3HZ LYS 47 1HZ LYS 47 0.183 6.511 1.499 197 H GLN 48 H GLN 48 6.517 4.012 -1.975 198 HA GLN 48 HA GLN 48 6.163 5.344 -4.486 199 1HB GLN 48 1HB GLN 48 8.685 4.170 -3.248 200 2HB GLN 48 2HB GLN 48 8.654 5.277 -4.614 201 1HG GLN 48 1HG GLN 48 7.805 5.883 -1.755 202 2HG GLN 48 2HG GLN 48 9.215 6.493 -2.601 203 1HE2 GLN 48 2HE2 GLN 48 5.908 7.117 -1.880 204 2HE2 GLN 48 1HE2 GLN 48 5.716 8.484 -2.986 205 HA PRO 49 HA PRO 49 5.637 2.444 -7.558 206 1HB PRO 49 2HB PRO 49 8.066 3.498 -9.022 207 2HB PRO 49 1HB PRO 49 6.433 3.137 -9.669 208 1HG PRO 49 1HG PRO 49 7.094 5.677 -9.054 209 2HG PRO 49 2HG PRO 49 5.495 5.032 -8.553 210 1HD PRO 49 1HD PRO 49 7.990 5.382 -6.892 211 2HD PRO 49 2HD PRO 49 6.285 5.727 -6.484 212 H GLY 50 H GLY 50 8.936 2.141 -6.344 213 1HA GLY 50 2HA GLY 50 10.183 0.151 -7.597 214 2HA GLY 50 1HA GLY 50 8.845 -0.782 -6.932 215 H HIS 51 H HIS 51 9.469 1.506 -4.601 216 HA HIS 51 HA HIS 51 11.891 0.657 -3.399 217 1HB HIS 51 1HB HIS 51 11.271 2.004 -1.594 218 2HB HIS 51 2HB HIS 51 10.482 2.773 -2.960 219 HD1 HIS 51 HD1 HIS 51 7.643 1.727 -3.130 220 HD2 HIS 51 HD2 HIS 51 9.844 1.490 0.458 221 HE1 HIS 51 HE1 HIS 51 5.999 1.077 -1.313 222 H PHE 52 H PHE 52 8.679 -0.755 -3.191 223 HA PHE 52 HA PHE 52 8.824 -1.915 -0.652 224 1HB PHE 52 1HB PHE 52 6.933 -3.341 -1.433 225 2HB PHE 52 2HB PHE 52 6.726 -1.622 -1.677 226 HD1 PHE 52 HD1 PHE 52 7.169 -4.876 -3.372 227 HD2 PHE 52 HD2 PHE 52 6.666 -0.624 -3.931 228 HE1 PHE 52 HE1 PHE 52 6.651 -5.246 -5.768 229 HE2 PHE 52 HE2 PHE 52 6.142 -1.006 -6.320 230 HZ PHE 52 HZ PHE 52 6.141 -3.311 -7.249 231 H SER 53 H SER 53 9.767 -3.399 -3.775 232 HA SER 53 HA SER 53 10.437 -5.967 -2.880 233 1HB SER 53 1HB SER 53 11.778 -4.336 -5.067 234 2HB SER 53 2HB SER 53 11.818 -6.104 -4.901 235 HG SER 53 HG SER 53 10.200 -5.415 -6.377 236 H LYS 54 H LYS 54 12.012 -3.142 -1.861 237 HA LYS 54 HA LYS 54 14.247 -4.730 -0.717 238 1HB LYS 54 1HB LYS 54 15.860 -2.977 -1.235 239 2HB LYS 54 2HB LYS 54 15.140 -3.637 -2.699 240 1HG LYS 54 1HG LYS 54 13.693 -1.660 -2.943 241 2HG LYS 54 2HG LYS 54 14.247 -1.027 -1.387 242 1HD LYS 54 1HD LYS 54 15.363 0.166 -3.148 243 2HD LYS 54 2HD LYS 54 16.553 -0.827 -2.293 244 1HE LYS 54 1HE LYS 54 16.398 -2.544 -4.104 245 2HE LYS 54 2HE LYS 54 15.206 -1.544 -4.942 246 1HZ LYS 54 3HZ LYS 54 16.917 0.187 -5.155 247 2HZ LYS 54 1HZ LYS 54 18.015 -0.745 -4.382 248 3HZ LYS 54 2HZ LYS 54 17.438 -1.201 -5.837 249 H GLN 55 H GLN 55 11.615 -3.404 0.276 250 HA GLN 55 HA GLN 55 12.804 -2.633 2.846 251 1HB GLN 55 1HB GLN 55 12.686 -0.484 1.495 252 2HB GLN 55 2HB GLN 55 10.930 -0.662 1.475 253 1HG GLN 55 1HG GLN 55 11.025 -0.707 4.040 254 2HG GLN 55 2HG GLN 55 12.743 -0.323 3.912 255 1HE2 GLN 55 1HE2 GLN 55 9.455 0.865 3.474 256 2HE2 GLN 55 2HE2 GLN 55 9.885 2.560 3.292 257 H CYS 56 H CYS 56 9.637 -2.598 1.132 258 HA CYS 56 HA CYS 56 8.280 -3.383 3.643 259 1HB CYS 56 1HB CYS 56 7.208 -2.156 1.069 260 2HB CYS 56 2HB CYS 56 6.301 -2.423 2.560 261 H ARG 57 H ARG 57 9.305 -4.939 0.885 262 HA ARG 57 HA ARG 57 7.631 -7.318 1.334 263 1HB ARG 57 1HB ARG 57 6.698 -5.531 -0.463 264 2HB ARG 57 2HB ARG 57 7.905 -6.255 -1.501 265 1HG ARG 57 1HG ARG 57 5.636 -7.203 -1.790 266 2HG ARG 57 2HG ARG 57 6.798 -8.441 -1.325 267 1HD ARG 57 1HD ARG 57 4.556 -8.611 -0.177 268 2HD ARG 57 2HD ARG 57 5.932 -8.567 0.904 269 HE ARG 57 HE ARG 57 5.388 -6.373 1.618 270 1HH1 ARG 57 2HH1 ARG 57 3.026 -7.373 -0.802 271 2HH1 ARG 57 1HH1 ARG 57 1.979 -6.022 -0.380 272 1HH2 ARG 57 1HH2 ARG 57 3.962 -4.755 2.049 273 2HH2 ARG 57 2HH2 ARG 57 2.472 -4.644 1.123 274 H SER 58 H SER 58 10.520 -6.489 1.548 275 HA SER 58 HA SER 58 12.280 -7.552 -0.299 276 1HB SER 58 1HB SER 58 12.545 -7.707 2.721 277 2HB SER 58 2HB SER 58 13.863 -7.757 1.535 278 HG SER 58 HG SER 58 13.521 -5.637 2.428 No H/Q in entry = 278 Start of MODEL 9 1 H1 GLN 22 H2 GLN 22 -8.076 -0.576 -6.236 2 H2 GLN 22 H1 GLN 22 -7.141 0.674 -5.749 3 H3 GLN 22 H3 GLN 22 -7.049 0.134 -7.304 4 HA GLN 22 HA GLN 22 -6.150 -1.985 -6.573 5 1HB GLN 22 1HB GLN 22 -4.651 0.444 -5.488 6 2HB GLN 22 2HB GLN 22 -3.981 -1.190 -5.577 7 1HG GLN 22 1HG GLN 22 -4.335 -1.189 -8.048 8 2HG GLN 22 2HG GLN 22 -4.853 0.500 -7.962 9 1HE2 GLN 22 2HE2 GLN 22 -2.461 -0.705 -9.353 10 2HE2 GLN 22 1HE2 GLN 22 -1.095 0.161 -8.659 11 H THR 23 H THR 23 -6.280 -3.523 -4.992 12 HA THR 23 HA THR 23 -7.793 -3.234 -2.725 13 HB THR 23 HB THR 23 -5.516 -5.223 -3.008 14 HG1 THR 23 HG1 THR 23 -7.020 -6.434 -4.168 15 1HG2 THR 23 3HG2 THR 23 -8.268 -5.446 -1.696 16 2HG2 THR 23 1HG2 THR 23 -7.087 -6.761 -1.860 17 3HG2 THR 23 2HG2 THR 23 -6.710 -5.375 -0.834 18 H CYS 24 H CYS 24 -7.605 -2.691 -0.651 19 HA CYS 24 HA CYS 24 -5.626 -1.017 0.349 20 1HB CYS 24 1HB CYS 24 -8.026 -1.443 1.105 21 2HB CYS 24 2HB CYS 24 -7.421 -2.860 1.967 22 H TYR 25 H TYR 25 -3.981 -1.205 1.884 23 HA TYR 25 HA TYR 25 -2.491 -3.677 2.196 24 1HB TYR 25 1HB TYR 25 -0.981 -2.468 3.414 25 2HB TYR 25 2HB TYR 25 -1.595 -1.253 2.315 26 HD1 TYR 25 HD1 TYR 25 -0.481 -1.666 5.524 27 HD2 TYR 25 HD2 TYR 25 -3.948 -0.093 3.493 28 HE1 TYR 25 HE1 TYR 25 -0.974 -0.209 7.478 29 HE2 TYR 25 HE2 TYR 25 -4.482 1.272 5.474 30 HH TYR 25 HH TYR 25 -2.422 1.334 8.391 31 H ASN 26 H ASN 26 -5.302 -2.504 3.742 32 HA ASN 26 HA ASN 26 -4.951 -4.312 6.120 33 1HB ASN 26 1HB ASN 26 -4.430 -2.019 6.731 34 2HB ASN 26 2HB ASN 26 -5.874 -1.408 5.931 35 1HD2 ASN 26 2HD2 ASN 26 -7.922 -1.569 6.999 36 2HD2 ASN 26 1HD2 ASN 26 -8.000 -2.078 8.680 37 H CYS 27 H CYS 27 -7.378 -2.472 4.206 38 HA CYS 27 HA CYS 27 -9.574 -3.689 5.571 39 1HB CYS 27 1HB CYS 27 -9.522 -1.919 3.098 40 2HB CYS 27 2HB CYS 27 -10.899 -2.196 4.173 41 H GLY 28 H GLY 28 -7.816 -4.950 2.959 42 1HA GLY 28 2HA GLY 28 -9.465 -7.182 2.483 43 2HA GLY 28 1HA GLY 28 -8.173 -6.620 1.418 44 H LYS 29 H LYS 29 -9.417 -4.085 0.779 45 HA LYS 29 HA LYS 29 -11.920 -4.822 -0.691 46 1HB LYS 29 1HB LYS 29 -12.270 -3.546 1.376 47 2HB LYS 29 2HB LYS 29 -11.164 -2.314 0.830 48 1HG LYS 29 1HG LYS 29 -13.395 -1.501 0.522 49 2HG LYS 29 2HG LYS 29 -12.699 -1.765 -1.068 50 1HD LYS 29 1HD LYS 29 -15.016 -2.487 -1.030 51 2HD LYS 29 2HD LYS 29 -13.981 -3.897 -1.275 52 1HE LYS 29 1HE LYS 29 -14.192 -4.483 1.129 53 2HE LYS 29 2HE LYS 29 -15.151 -3.025 1.410 54 1HZ LYS 29 1HZ LYS 29 -16.849 -3.932 -0.083 55 2HZ LYS 29 2HZ LYS 29 -15.961 -5.280 -0.353 56 3HZ LYS 29 3HZ LYS 29 -16.563 -4.980 1.133 57 HA PRO 30 HA PRO 30 -9.267 -3.766 -4.226 58 1HB PRO 30 2HB PRO 30 -11.984 -3.804 -5.542 59 2HB PRO 30 1HB PRO 30 -10.424 -4.441 -6.154 60 1HG PRO 30 1HG PRO 30 -12.199 -6.126 -5.025 61 2HG PRO 30 2HG PRO 30 -10.463 -6.246 -4.582 62 1HD PRO 30 1HD PRO 30 -12.717 -4.948 -3.046 63 2HD PRO 30 2HD PRO 30 -11.374 -5.973 -2.453 64 H GLY 31 H GLY 31 -12.184 -1.861 -3.517 65 1HA GLY 31 2HA GLY 31 -12.842 0.281 -4.028 66 2HA GLY 31 1HA GLY 31 -11.626 0.320 -5.302 67 H HIS 32 H HIS 32 -9.340 -0.105 -3.512 68 HA HIS 32 HA HIS 32 -9.339 2.370 -1.862 69 1HB HIS 32 1HB HIS 32 -7.961 -0.269 -1.638 70 2HB HIS 32 2HB HIS 32 -7.075 1.152 -1.099 71 HD1 HIS 32 HD1 HIS 32 -10.504 -0.513 -0.416 72 HD2 HIS 32 HD2 HIS 32 -7.592 1.973 1.279 73 HE1 HIS 32 HE1 HIS 32 -11.240 -0.095 2.011 74 H LEU 33 H LEU 33 -7.476 3.596 -1.713 75 HA LEU 33 HA LEU 33 -5.680 4.021 -3.984 76 1HB LEU 33 1HB LEU 33 -7.951 5.929 -3.204 77 2HB LEU 33 2HB LEU 33 -6.591 6.403 -4.208 78 HG LEU 33 HG LEU 33 -8.672 4.324 -4.990 79 1HD1 LEU 33 3HD1 LEU 33 -9.573 6.606 -4.882 80 2HD1 LEU 33 1HD1 LEU 33 -8.248 7.191 -5.912 81 3HD1 LEU 33 2HD1 LEU 33 -9.443 6.041 -6.555 82 1HD2 LEU 33 3HD2 LEU 33 -6.400 5.604 -6.586 83 2HD2 LEU 33 1HD2 LEU 33 -6.489 3.898 -6.092 84 3HD2 LEU 33 2HD2 LEU 33 -7.662 4.540 -7.247 85 H SER 34 H SER 34 -4.327 6.002 -3.470 86 HA SER 34 HA SER 34 -3.201 6.169 -0.912 87 1HB SER 34 1HB SER 34 -3.377 8.297 -3.083 88 2HB SER 34 2HB SER 34 -2.206 8.279 -1.754 89 HG SER 34 HG SER 34 -1.450 7.360 -3.795 90 H SER 35 H SER 35 -6.239 7.517 -1.847 91 HA SER 35 HA SER 35 -6.349 9.366 0.490 92 1HB SER 35 1HB SER 35 -8.325 10.292 -0.702 93 2HB SER 35 2HB SER 35 -6.828 10.394 -1.646 94 HG SER 35 HG SER 35 -8.612 9.603 -2.888 95 H GLN 36 H GLN 36 -7.287 6.210 -0.337 96 HA GLN 36 HA GLN 36 -9.795 6.235 1.263 97 1HB GLN 36 1HB GLN 36 -9.422 5.024 -1.033 98 2HB GLN 36 2HB GLN 36 -8.520 3.849 -0.085 99 1HG GLN 36 1HG GLN 36 -10.663 2.913 -0.155 100 2HG GLN 36 2HG GLN 36 -10.704 3.731 1.398 101 1HE2 GLN 36 2HE2 GLN 36 -12.020 3.603 -1.879 102 2HE2 GLN 36 1HE2 GLN 36 -13.199 4.885 -1.630 103 H CYS 37 H CYS 37 -6.507 4.886 1.267 104 HA CYS 37 HA CYS 37 -6.448 4.885 4.184 105 1HB CYS 37 1HB CYS 37 -6.044 2.372 2.531 106 2HB CYS 37 2HB CYS 37 -5.058 2.621 3.937 107 H ARG 38 H ARG 38 -4.076 4.363 4.866 108 HA ARG 38 HA ARG 38 -2.287 6.297 3.825 109 1HB ARG 38 1HB ARG 38 -1.742 3.773 5.456 110 2HB ARG 38 2HB ARG 38 -0.521 4.957 5.026 111 1HG ARG 38 1HG ARG 38 -0.945 5.777 7.027 112 2HG ARG 38 2HG ARG 38 -2.179 6.695 6.186 113 1HD ARG 38 1HD ARG 38 -2.781 4.014 7.508 114 2HD ARG 38 2HD ARG 38 -2.667 5.481 8.459 115 HE ARG 38 HE ARG 38 -4.497 6.471 7.173 116 1HH1 ARG 38 2HH1 ARG 38 -4.376 2.937 7.181 117 2HH1 ARG 38 1HH1 ARG 38 -6.029 2.848 6.603 118 1HH2 ARG 38 1HH2 ARG 38 -6.655 6.190 6.747 119 2HH2 ARG 38 2HH2 ARG 38 -7.276 4.585 6.474 120 H ALA 39 H ALA 39 -2.610 2.888 2.838 121 HA ALA 39 HA ALA 39 -1.422 3.552 0.281 122 1HB ALA 39 3HB ALA 39 0.638 3.097 1.606 123 2HB ALA 39 1HB ALA 39 -0.038 1.522 2.099 124 3HB ALA 39 2HB ALA 39 0.383 1.817 0.408 125 HA PRO 40 HA PRO 40 -3.679 -0.319 -0.803 126 1HB PRO 40 2HB PRO 40 -2.609 -0.885 -3.232 127 2HB PRO 40 1HB PRO 40 -3.711 0.501 -2.986 128 1HG PRO 40 1HG PRO 40 -0.676 0.530 -3.050 129 2HG PRO 40 2HG PRO 40 -1.808 1.594 -3.944 130 1HD PRO 40 1HD PRO 40 -0.639 2.316 -1.575 131 2HD PRO 40 2HD PRO 40 -2.281 2.857 -2.028 132 H LYS 41 H LYS 41 -2.977 -2.574 -1.441 133 HA LYS 41 HA LYS 41 -1.282 -3.771 0.410 134 1HB LYS 41 1HB LYS 41 -3.219 -4.703 -0.928 135 2HB LYS 41 2HB LYS 41 -2.112 -4.922 -2.285 136 1HG LYS 41 1HG LYS 41 -0.792 -6.525 -0.970 137 2HG LYS 41 2HG LYS 41 -1.767 -6.183 0.477 138 1HD LYS 41 1HD LYS 41 -3.787 -7.026 -0.699 139 2HD LYS 41 2HD LYS 41 -2.814 -7.406 -2.125 140 1HE LYS 41 1HE LYS 41 -2.387 -8.594 0.660 141 2HE LYS 41 2HE LYS 41 -3.336 -9.361 -0.615 142 1HZ LYS 41 3HZ LYS 41 -1.326 -9.435 -1.993 143 2HZ LYS 41 1HZ LYS 41 -0.433 -8.757 -0.799 144 3HZ LYS 41 2HZ LYS 41 -1.091 -10.234 -0.592 145 H VAL 42 H VAL 42 -0.167 -2.243 -2.399 146 HA VAL 42 HA VAL 42 2.347 -3.499 -2.905 147 HB VAL 42 HB VAL 42 1.571 -0.551 -3.000 148 1HG1 VAL 42 2HG1 VAL 42 3.826 -2.045 -4.393 149 2HG1 VAL 42 3HG1 VAL 42 3.346 -0.369 -4.735 150 3HG1 VAL 42 1HG1 VAL 42 4.003 -0.782 -3.154 151 1HG2 VAL 42 2HG2 VAL 42 1.456 -2.693 -5.171 152 2HG2 VAL 42 3HG2 VAL 42 0.060 -1.883 -4.428 153 3HG2 VAL 42 1HG2 VAL 42 1.179 -0.956 -5.424 154 H CYS 43 H CYS 43 1.311 -1.320 -0.287 155 HA CYS 43 HA CYS 43 3.932 -1.523 1.090 156 1HB CYS 43 1HB CYS 43 3.952 0.313 -0.650 157 2HB CYS 43 2HB CYS 43 2.658 1.117 0.246 158 H PHE 44 H PHE 44 3.320 0.654 2.780 159 HA PHE 44 HA PHE 44 0.696 0.166 4.063 160 1HB PHE 44 1HB PHE 44 1.530 -0.093 6.237 161 2HB PHE 44 2HB PHE 44 2.485 -1.193 5.263 162 HD1 PHE 44 HD1 PHE 44 2.513 1.692 7.478 163 HD2 PHE 44 HD2 PHE 44 4.889 -0.496 4.616 164 HE1 PHE 44 HE1 PHE 44 4.561 2.818 8.315 165 HE2 PHE 44 HE2 PHE 44 6.933 0.632 5.461 166 HZ PHE 44 HZ PHE 44 6.773 2.294 7.302 167 H LYS 45 H LYS 45 3.298 2.362 3.241 168 HA LYS 45 HA LYS 45 1.582 4.679 3.816 169 1HB LYS 45 1HB LYS 45 2.686 4.161 6.010 170 2HB LYS 45 2HB LYS 45 4.263 4.387 5.253 171 1HG LYS 45 1HG LYS 45 3.659 6.761 4.757 172 2HG LYS 45 2HG LYS 45 2.063 6.494 5.488 173 1HD LYS 45 1HD LYS 45 3.167 5.941 7.655 174 2HD LYS 45 2HD LYS 45 4.753 6.239 6.910 175 1HE LYS 45 1HE LYS 45 4.063 8.581 6.410 176 2HE LYS 45 2HE LYS 45 2.496 8.279 7.172 177 1HZ LYS 45 1HZ LYS 45 3.678 7.853 9.268 178 2HZ LYS 45 2HZ LYS 45 5.123 8.146 8.560 179 3HZ LYS 45 3HZ LYS 45 4.032 9.348 8.718 180 H CYS 46 H CYS 46 5.045 3.914 3.065 181 HA CYS 46 HA CYS 46 5.403 6.375 1.695 182 1HB CYS 46 1HB CYS 46 7.648 5.146 1.081 183 2HB CYS 46 2HB CYS 46 7.296 5.701 2.713 184 H LYS 47 H LYS 47 4.652 3.186 0.421 185 HA LYS 47 HA LYS 47 4.191 2.414 -1.692 186 1HB LYS 47 1HB LYS 47 2.126 3.405 -2.477 187 2HB LYS 47 2HB LYS 47 2.183 3.265 -0.726 188 1HG LYS 47 1HG LYS 47 2.749 5.688 -0.553 189 2HG LYS 47 2HG LYS 47 2.613 5.839 -2.306 190 1HD LYS 47 1HD LYS 47 0.266 5.311 -2.241 191 2HD LYS 47 2HD LYS 47 0.341 4.806 -0.546 192 1HE LYS 47 1HE LYS 47 1.024 7.631 -1.453 193 2HE LYS 47 2HE LYS 47 -0.618 7.136 -1.026 194 1HZ LYS 47 3HZ LYS 47 1.677 6.885 0.851 195 2HZ LYS 47 1HZ LYS 47 0.587 8.116 0.876 196 3HZ LYS 47 2HZ LYS 47 0.122 6.573 1.181 197 H GLN 48 H GLN 48 6.612 4.079 -2.017 198 HA GLN 48 HA GLN 48 6.423 5.454 -4.516 199 1HB GLN 48 1HB GLN 48 8.850 4.197 -3.170 200 2HB GLN 48 2HB GLN 48 8.915 5.322 -4.519 201 1HG GLN 48 1HG GLN 48 7.908 5.923 -1.709 202 2HG GLN 48 2HG GLN 48 9.396 6.485 -2.444 203 1HE2 GLN 48 2HE2 GLN 48 6.065 7.227 -1.963 204 2HE2 GLN 48 1HE2 GLN 48 6.014 8.612 -3.059 205 HA PRO 49 HA PRO 49 5.931 2.655 -7.662 206 1HB PRO 49 2HB PRO 49 8.466 3.631 -8.997 207 2HB PRO 49 1HB PRO 49 6.850 3.350 -9.723 208 1HG PRO 49 1HG PRO 49 7.581 5.848 -9.024 209 2HG PRO 49 2HG PRO 49 5.938 5.257 -8.608 210 1HD PRO 49 1HD PRO 49 8.365 5.481 -6.832 211 2HD PRO 49 2HD PRO 49 6.656 5.876 -6.492 212 H GLY 50 H GLY 50 9.172 2.170 -6.337 213 1HA GLY 50 2HA GLY 50 10.317 0.115 -7.631 214 2HA GLY 50 1HA GLY 50 8.941 -0.733 -6.928 215 H HIS 51 H HIS 51 9.543 1.411 -4.561 216 HA HIS 51 HA HIS 51 11.996 0.508 -3.385 217 1HB HIS 51 1HB HIS 51 11.419 1.878 -1.581 218 2HB HIS 51 2HB HIS 51 10.686 2.684 -2.956 219 HD1 HIS 51 HD1 HIS 51 7.801 1.799 -3.165 220 HD2 HIS 51 HD2 HIS 51 9.936 1.491 0.460 221 HE1 HIS 51 HE1 HIS 51 6.096 1.295 -1.358 222 H PHE 52 H PHE 52 8.723 -0.725 -3.197 223 HA PHE 52 HA PHE 52 8.702 -1.770 -0.626 224 1HB PHE 52 1HB PHE 52 6.741 -3.125 -1.489 225 2HB PHE 52 2HB PHE 52 6.662 -1.390 -1.672 226 HD1 PHE 52 HD1 PHE 52 6.621 -0.321 -3.856 227 HD2 PHE 52 HD2 PHE 52 7.062 -4.600 -3.505 228 HE1 PHE 52 HE1 PHE 52 6.180 -0.567 -6.277 229 HE2 PHE 52 HE2 PHE 52 6.635 -4.836 -5.936 230 HZ PHE 52 HZ PHE 52 6.200 -2.820 -7.330 231 H SER 53 H SER 53 9.599 -3.543 -3.610 232 HA SER 53 HA SER 53 9.969 -6.090 -2.447 233 1HB SER 53 1HB SER 53 11.449 -4.868 -4.806 234 2HB SER 53 2HB SER 53 11.290 -6.598 -4.444 235 HG SER 53 HG SER 53 9.744 -5.898 -5.986 236 H LYS 54 H LYS 54 11.796 -3.354 -1.703 237 HA LYS 54 HA LYS 54 14.049 -4.994 -0.619 238 1HB LYS 54 1HB LYS 54 14.285 -2.207 -1.844 239 2HB LYS 54 2HB LYS 54 15.573 -3.138 -1.095 240 1HG LYS 54 1HG LYS 54 16.089 -3.710 -3.199 241 2HG LYS 54 2HG LYS 54 14.895 -4.965 -2.929 242 1HD LYS 54 1HD LYS 54 14.441 -4.046 -5.070 243 2HD LYS 54 2HD LYS 54 13.173 -3.385 -4.028 244 1HE LYS 54 1HE LYS 54 14.443 -1.269 -3.803 245 2HE LYS 54 2HE LYS 54 15.762 -1.946 -4.767 246 1HZ LYS 54 1HZ LYS 54 14.206 -2.120 -6.643 247 2HZ LYS 54 2HZ LYS 54 12.993 -1.471 -5.749 248 3HZ LYS 54 3HZ LYS 54 14.308 -0.574 -6.131 249 H GLN 55 H GLN 55 11.417 -3.525 0.444 250 HA GLN 55 HA GLN 55 12.658 -2.904 3.031 251 1HB GLN 55 1HB GLN 55 12.793 -0.739 1.787 252 2HB GLN 55 2HB GLN 55 11.041 -0.751 1.593 253 1HG GLN 55 1HG GLN 55 10.824 -0.756 4.115 254 2HG GLN 55 2HG GLN 55 12.583 -0.664 4.230 255 1HE2 GLN 55 1HE2 GLN 55 9.632 1.094 3.403 256 2HE2 GLN 55 2HE2 GLN 55 10.395 2.681 3.325 257 H CYS 56 H CYS 56 9.481 -2.219 1.482 258 HA CYS 56 HA CYS 56 8.143 -2.909 3.951 259 1HB CYS 56 1HB CYS 56 7.101 -1.857 1.285 260 2HB CYS 56 2HB CYS 56 6.203 -1.903 2.810 261 H ARG 57 H ARG 57 8.688 -4.655 1.036 262 HA ARG 57 HA ARG 57 6.724 -6.776 1.761 263 1HB ARG 57 1HB ARG 57 6.136 -4.850 -0.143 264 2HB ARG 57 2HB ARG 57 6.950 -6.031 -1.140 265 1HG ARG 57 1HG ARG 57 4.904 -6.997 -1.301 266 2HG ARG 57 2HG ARG 57 5.217 -7.660 0.297 267 1HD ARG 57 1HD ARG 57 3.638 -5.172 -0.446 268 2HD ARG 57 2HD ARG 57 3.023 -6.652 0.303 269 HE ARG 57 HE ARG 57 5.003 -5.494 2.023 270 1HH1 ARG 57 1HH2 ARG 57 1.787 -4.647 0.928 271 2HH1 ARG 57 2HH2 ARG 57 1.586 -3.498 2.226 272 1HH2 ARG 57 1HH1 ARG 57 4.621 -4.181 3.668 273 2HH2 ARG 57 2HH1 ARG 57 3.051 -3.422 3.881 274 H SER 58 H SER 58 9.769 -6.393 1.643 275 HA SER 58 HA SER 58 11.131 -7.891 -0.217 276 1HB SER 58 1HB SER 58 11.647 -7.893 2.775 277 2HB SER 58 2HB SER 58 12.821 -8.240 1.492 278 HG SER 58 HG SER 58 12.913 -6.044 2.255 No H/Q in entry = 278 Start of MODEL 10 1 H1 GLN 22 H1 GLN 22 -8.161 -0.538 -6.162 2 H2 GLN 22 H3 GLN 22 -7.268 0.757 -5.712 3 H3 GLN 22 H2 GLN 22 -7.208 0.216 -7.267 4 HA GLN 22 HA GLN 22 -6.179 -1.844 -6.578 5 1HB GLN 22 1HB GLN 22 -4.750 0.603 -5.437 6 2HB GLN 22 2HB GLN 22 -4.007 -0.969 -5.709 7 1HG GLN 22 1HG GLN 22 -5.109 0.855 -7.897 8 2HG GLN 22 2HG GLN 22 -3.427 0.672 -7.439 9 1HE2 GLN 22 2HE2 GLN 22 -2.354 -0.534 -9.014 10 2HE2 GLN 22 1HE2 GLN 22 -3.050 -1.958 -9.778 11 H THR 23 H THR 23 -6.295 -3.408 -5.055 12 HA THR 23 HA THR 23 -7.773 -3.196 -2.767 13 HB THR 23 HB THR 23 -5.494 -5.167 -3.128 14 HG1 THR 23 HG1 THR 23 -7.001 -6.346 -4.314 15 1HG2 THR 23 1HG2 THR 23 -8.234 -5.435 -1.799 16 2HG2 THR 23 2HG2 THR 23 -7.054 -6.742 -2.013 17 3HG2 THR 23 3HG2 THR 23 -6.669 -5.387 -0.949 18 H CYS 24 H CYS 24 -7.588 -2.678 -0.702 19 HA CYS 24 HA CYS 24 -5.640 -1.005 0.321 20 1HB CYS 24 1HB CYS 24 -8.028 -1.474 1.070 21 2HB CYS 24 2HB CYS 24 -7.406 -2.893 1.920 22 H TYR 25 H TYR 25 -4.009 -1.160 1.866 23 HA TYR 25 HA TYR 25 -2.443 -3.585 2.162 24 1HB TYR 25 1HB TYR 25 -0.978 -2.340 3.390 25 2HB TYR 25 2HB TYR 25 -1.628 -1.132 2.306 26 HD1 TYR 25 HD1 TYR 25 -0.565 -1.646 5.545 27 HD2 TYR 25 HD2 TYR 25 -3.957 0.028 3.463 28 HE1 TYR 25 HE1 TYR 25 -1.102 -0.250 7.529 29 HE2 TYR 25 HE2 TYR 25 -4.524 1.357 5.476 30 HH TYR 25 HH TYR 25 -2.560 1.276 8.453 31 H ASN 26 H ASN 26 -5.275 -2.483 3.738 32 HA ASN 26 HA ASN 26 -4.867 -4.302 6.099 33 1HB ASN 26 1HB ASN 26 -4.371 -2.009 6.721 34 2HB ASN 26 2HB ASN 26 -5.828 -1.408 5.935 35 1HD2 ASN 26 2HD2 ASN 26 -7.865 -1.597 7.016 36 2HD2 ASN 26 1HD2 ASN 26 -7.928 -2.112 8.694 37 H CYS 27 H CYS 27 -7.338 -2.489 4.218 38 HA CYS 27 HA CYS 27 -9.512 -3.756 5.578 39 1HB CYS 27 1HB CYS 27 -9.498 -1.977 3.110 40 2HB CYS 27 2HB CYS 27 -10.863 -2.277 4.191 41 H GLY 28 H GLY 28 -7.712 -4.930 2.951 42 1HA GLY 28 2HA GLY 28 -9.275 -7.220 2.465 43 2HA GLY 28 1HA GLY 28 -8.002 -6.606 1.406 44 H LYS 29 H LYS 29 -9.394 -4.100 0.809 45 HA LYS 29 HA LYS 29 -11.820 -4.980 -0.707 46 1HB LYS 29 1HB LYS 29 -12.263 -3.737 1.367 47 2HB LYS 29 2HB LYS 29 -11.259 -2.418 0.808 48 1HG LYS 29 1HG LYS 29 -13.518 -1.769 0.485 49 2HG LYS 29 2HG LYS 29 -12.873 -2.085 -1.127 50 1HD LYS 29 1HD LYS 29 -13.992 -4.308 -1.140 51 2HD LYS 29 2HD LYS 29 -14.556 -4.034 0.522 52 1HE LYS 29 1HE LYS 29 -15.810 -2.023 -0.257 53 2HE LYS 29 2HE LYS 29 -15.283 -2.340 -1.913 54 1HZ LYS 29 2HZ LYS 29 -16.471 -4.476 -1.802 55 2HZ LYS 29 3HZ LYS 29 -16.954 -4.172 -0.270 56 3HZ LYS 29 1HZ LYS 29 -17.498 -3.247 -1.496 57 HA PRO 30 HA PRO 30 -9.271 -3.734 -4.236 58 1HB PRO 30 2HB PRO 30 -11.997 -3.768 -5.532 59 2HB PRO 30 1HB PRO 30 -10.435 -4.368 -6.175 60 1HG PRO 30 1HG PRO 30 -12.185 -6.106 -5.084 61 2HG PRO 30 2HG PRO 30 -10.445 -6.221 -4.659 62 1HD PRO 30 1HD PRO 30 -12.696 -4.994 -3.064 63 2HD PRO 30 2HD PRO 30 -11.339 -6.025 -2.516 64 H GLY 31 H GLY 31 -12.211 -1.905 -3.447 65 1HA GLY 31 2HA GLY 31 -12.926 0.231 -3.893 66 2HA GLY 31 1HA GLY 31 -11.727 0.331 -5.181 67 H HIS 32 H HIS 32 -9.384 -0.021 -3.543 68 HA HIS 32 HA HIS 32 -9.411 2.400 -1.804 69 1HB HIS 32 1HB HIS 32 -7.994 -0.231 -1.630 70 2HB HIS 32 2HB HIS 32 -7.148 1.197 -1.049 71 HD1 HIS 32 HD1 HIS 32 -10.500 -0.620 -0.405 72 HD2 HIS 32 HD2 HIS 32 -7.730 2.004 1.330 73 HE1 HIS 32 HE1 HIS 32 -11.267 -0.261 2.021 74 H LEU 33 H LEU 33 -7.608 3.661 -1.663 75 HA LEU 33 HA LEU 33 -5.707 4.074 -3.837 76 1HB LEU 33 1HB LEU 33 -8.058 5.945 -3.243 77 2HB LEU 33 2HB LEU 33 -6.637 6.451 -4.143 78 HG LEU 33 HG LEU 33 -8.619 4.335 -5.066 79 1HD1 LEU 33 1HD1 LEU 33 -9.537 6.609 -5.061 80 2HD1 LEU 33 2HD1 LEU 33 -8.138 7.191 -5.990 81 3HD1 LEU 33 3HD1 LEU 33 -9.272 6.025 -6.712 82 1HD2 LEU 33 1HD2 LEU 33 -6.228 5.606 -6.485 83 2HD2 LEU 33 2HD2 LEU 33 -6.357 3.903 -5.986 84 3HD2 LEU 33 3HD2 LEU 33 -7.430 4.535 -7.239 85 H SER 34 H SER 34 -4.497 6.210 -3.256 86 HA SER 34 HA SER 34 -3.636 6.374 -0.533 87 1HB SER 34 1HB SER 34 -2.597 8.510 -1.290 88 2HB SER 34 2HB SER 34 -2.246 7.132 -2.351 89 HG SER 34 HG SER 34 -2.862 9.024 -3.529 90 H SER 35 H SER 35 -6.444 7.744 -2.091 91 HA SER 35 HA SER 35 -7.042 9.664 0.055 92 1HB SER 35 1HB SER 35 -9.085 10.062 -1.302 93 2HB SER 35 2HB SER 35 -7.586 10.256 -2.226 94 HG SER 35 HG SER 35 -9.186 9.012 -3.343 95 H GLN 36 H GLN 36 -7.336 6.329 -0.147 96 HA GLN 36 HA GLN 36 -9.885 6.222 1.424 97 1HB GLN 36 1HB GLN 36 -9.583 5.088 -0.931 98 2HB GLN 36 2HB GLN 36 -8.618 3.914 -0.047 99 1HG GLN 36 1HG GLN 36 -10.719 2.917 -0.034 100 2HG GLN 36 2HG GLN 36 -10.736 3.725 1.525 101 1HE2 GLN 36 2HE2 GLN 36 -12.168 3.544 -1.689 102 2HE2 GLN 36 1HE2 GLN 36 -13.375 4.797 -1.409 103 H CYS 37 H CYS 37 -6.564 4.928 1.218 104 HA CYS 37 HA CYS 37 -6.363 4.850 4.145 105 1HB CYS 37 1HB CYS 37 -6.005 2.410 2.367 106 2HB CYS 37 2HB CYS 37 -4.983 2.606 3.759 107 H ARG 38 H ARG 38 -4.030 4.434 4.749 108 HA ARG 38 HA ARG 38 -2.254 6.341 3.661 109 1HB ARG 38 1HB ARG 38 -1.699 3.833 5.306 110 2HB ARG 38 2HB ARG 38 -0.516 5.095 4.979 111 1HG ARG 38 1HG ARG 38 -1.203 6.256 6.726 112 2HG ARG 38 2HG ARG 38 -2.787 6.477 6.007 113 1HD ARG 38 1HD ARG 38 -1.960 4.069 7.692 114 2HD ARG 38 2HD ARG 38 -2.755 5.490 8.348 115 HE ARG 38 HE ARG 38 -3.992 3.282 6.986 116 1HH1 ARG 38 1HH1 ARG 38 -4.465 6.654 7.805 117 2HH1 ARG 38 2HH1 ARG 38 -6.188 6.567 7.574 118 1HH2 ARG 38 2HH2 ARG 38 -6.216 3.330 6.442 119 2HH2 ARG 38 1HH2 ARG 38 -7.129 4.730 6.879 120 H ALA 39 H ALA 39 -2.571 2.924 2.731 121 HA ALA 39 HA ALA 39 -1.372 3.538 0.166 122 1HB ALA 39 3HB ALA 39 -0.002 1.528 2.016 123 2HB ALA 39 1HB ALA 39 0.422 1.801 0.321 124 3HB ALA 39 2HB ALA 39 0.683 3.092 1.506 125 HA PRO 40 HA PRO 40 -3.661 -0.349 -0.818 126 1HB PRO 40 2HB PRO 40 -2.626 -0.968 -3.247 127 2HB PRO 40 1HB PRO 40 -3.712 0.435 -3.017 128 1HG PRO 40 1HG PRO 40 -0.677 0.431 -3.112 129 2HG PRO 40 2HG PRO 40 -1.807 1.483 -4.020 130 1HD PRO 40 1HD PRO 40 -0.609 2.246 -1.671 131 2HD PRO 40 2HD PRO 40 -2.248 2.796 -2.126 132 H LYS 41 H LYS 41 -2.949 -2.624 -1.449 133 HA LYS 41 HA LYS 41 -1.238 -3.795 0.403 134 1HB LYS 41 1HB LYS 41 -3.148 -4.790 -0.899 135 2HB LYS 41 2HB LYS 41 -2.073 -4.948 -2.290 136 1HG LYS 41 1HG LYS 41 -0.654 -6.523 -1.051 137 2HG LYS 41 2HG LYS 41 -1.580 -6.233 0.437 138 1HD LYS 41 1HD LYS 41 -3.594 -7.204 -0.619 139 2HD LYS 41 2HD LYS 41 -2.692 -7.446 -2.135 140 1HE LYS 41 1HE LYS 41 -1.092 -8.928 -0.941 141 2HE LYS 41 2HE LYS 41 -1.989 -8.694 0.564 142 1HZ LYS 41 3HZ LYS 41 -3.090 -9.957 -1.892 143 2HZ LYS 41 1HZ LYS 41 -2.638 -10.755 -0.544 144 3HZ LYS 41 2HZ LYS 41 -3.917 -9.745 -0.496 145 H VAL 42 H VAL 42 -0.144 -2.273 -2.431 146 HA VAL 42 HA VAL 42 2.390 -3.489 -2.907 147 HB VAL 42 HB VAL 42 1.586 -0.551 -3.028 148 1HG1 VAL 42 2HG1 VAL 42 3.860 -2.033 -4.402 149 2HG1 VAL 42 3HG1 VAL 42 3.366 -0.363 -4.753 150 3HG1 VAL 42 1HG1 VAL 42 4.019 -0.762 -3.167 151 1HG2 VAL 42 2HG2 VAL 42 1.504 -2.713 -5.182 152 2HG2 VAL 42 3HG2 VAL 42 0.095 -1.912 -4.453 153 3HG2 VAL 42 1HG2 VAL 42 1.209 -0.982 -5.450 154 H CYS 43 H CYS 43 1.323 -1.298 -0.309 155 HA CYS 43 HA CYS 43 3.927 -1.503 1.098 156 1HB CYS 43 1HB CYS 43 3.993 0.334 -0.637 157 2HB CYS 43 2HB CYS 43 2.681 1.144 0.227 158 H PHE 44 H PHE 44 3.296 0.676 2.779 159 HA PHE 44 HA PHE 44 0.639 0.237 4.006 160 1HB PHE 44 1HB PHE 44 1.425 -0.059 6.200 161 2HB PHE 44 2HB PHE 44 2.343 -1.195 5.232 162 HD1 PHE 44 HD1 PHE 44 2.473 1.663 7.475 163 HD2 PHE 44 HD2 PHE 44 4.783 -0.602 4.617 164 HE1 PHE 44 HE1 PHE 44 4.561 2.681 8.353 165 HE2 PHE 44 HE2 PHE 44 6.865 0.420 5.503 166 HZ PHE 44 HZ PHE 44 6.760 2.066 7.362 167 H LYS 45 H LYS 45 3.277 2.363 3.195 168 HA LYS 45 HA LYS 45 1.701 4.745 3.922 169 1HB LYS 45 1HB LYS 45 2.837 4.128 6.041 170 2HB LYS 45 2HB LYS 45 4.403 4.167 5.229 171 1HG LYS 45 1HG LYS 45 4.086 6.607 4.781 172 2HG LYS 45 2HG LYS 45 2.507 6.534 5.594 173 1HD LYS 45 1HD LYS 45 3.634 5.820 7.694 174 2HD LYS 45 2HD LYS 45 5.208 5.878 6.868 175 1HE LYS 45 1HE LYS 45 4.860 8.302 6.404 176 2HE LYS 45 2HE LYS 45 3.311 8.240 7.254 177 1HZ LYS 45 2HZ LYS 45 4.528 7.621 9.279 178 2HZ LYS 45 3HZ LYS 45 5.959 7.686 8.490 179 3HZ LYS 45 1HZ LYS 45 5.082 9.044 8.706 180 H CYS 46 H CYS 46 5.111 3.891 3.061 181 HA CYS 46 HA CYS 46 5.481 6.367 1.721 182 1HB CYS 46 1HB CYS 46 7.730 5.143 1.122 183 2HB CYS 46 2HB CYS 46 7.359 5.680 2.757 184 H LYS 47 H LYS 47 4.699 3.201 0.417 185 HA LYS 47 HA LYS 47 4.240 2.454 -1.706 186 1HB LYS 47 1HB LYS 47 2.216 3.522 -2.522 187 2HB LYS 47 2HB LYS 47 2.237 3.346 -0.774 188 1HG LYS 47 1HG LYS 47 2.852 5.736 -0.528 189 2HG LYS 47 2HG LYS 47 2.798 5.940 -2.279 190 1HD LYS 47 1HD LYS 47 0.432 5.527 -2.331 191 2HD LYS 47 2HD LYS 47 0.407 4.945 -0.659 192 1HE LYS 47 1HE LYS 47 1.261 7.774 -1.406 193 2HE LYS 47 2HE LYS 47 -0.420 7.348 -1.070 194 1HZ LYS 47 2HZ LYS 47 1.788 6.917 0.880 195 2HZ LYS 47 3HZ LYS 47 0.732 8.173 0.926 196 3HZ LYS 47 1HZ LYS 47 0.216 6.630 1.139 197 H GLN 48 H GLN 48 6.710 4.056 -1.983 198 HA GLN 48 HA GLN 48 6.592 5.456 -4.477 199 1HB GLN 48 1HB GLN 48 8.971 4.156 -3.082 200 2HB GLN 48 2HB GLN 48 9.084 5.283 -4.424 201 1HG GLN 48 1HG GLN 48 8.027 5.891 -1.637 202 2HG GLN 48 2HG GLN 48 9.538 6.431 -2.338 203 1HE2 GLN 48 2HE2 GLN 48 6.214 7.229 -1.924 204 2HE2 GLN 48 1HE2 GLN 48 6.208 8.619 -3.017 205 HA PRO 49 HA PRO 49 6.168 2.683 -7.660 206 1HB PRO 49 2HB PRO 49 8.755 3.631 -8.908 207 2HB PRO 49 1HB PRO 49 7.158 3.383 -9.685 208 1HG PRO 49 1HG PRO 49 7.906 5.864 -8.943 209 2HG PRO 49 2HG PRO 49 6.242 5.297 -8.579 210 1HD PRO 49 1HD PRO 49 8.627 5.458 -6.736 211 2HD PRO 49 2HD PRO 49 6.918 5.889 -6.438 212 H GLY 50 H GLY 50 9.337 2.123 -6.211 213 1HA GLY 50 2HA GLY 50 10.523 0.076 -7.466 214 2HA GLY 50 1HA GLY 50 9.086 -0.767 -6.889 215 H HIS 51 H HIS 51 9.764 1.432 -4.491 216 HA HIS 51 HA HIS 51 12.045 0.375 -3.180 217 1HB HIS 51 1HB HIS 51 11.455 1.792 -1.417 218 2HB HIS 51 2HB HIS 51 10.795 2.612 -2.822 219 HD1 HIS 51 HD1 HIS 51 7.897 1.764 -3.133 220 HD2 HIS 51 HD2 HIS 51 9.895 1.446 0.567 221 HE1 HIS 51 HE1 HIS 51 6.122 1.270 -1.389 222 H PHE 52 H PHE 52 8.746 -0.800 -3.192 223 HA PHE 52 HA PHE 52 8.606 -1.906 -0.614 224 1HB PHE 52 1HB PHE 52 6.679 -3.225 -1.613 225 2HB PHE 52 2HB PHE 52 6.603 -1.480 -1.697 226 HD1 PHE 52 HD1 PHE 52 7.047 -4.580 -3.701 227 HD2 PHE 52 HD2 PHE 52 6.632 -0.285 -3.812 228 HE1 PHE 52 HE1 PHE 52 6.671 -4.672 -6.150 229 HE2 PHE 52 HE2 PHE 52 6.240 -0.387 -6.251 230 HZ PHE 52 HZ PHE 52 6.272 -2.575 -7.434 231 H SER 53 H SER 53 9.568 -3.547 -3.654 232 HA SER 53 HA SER 53 9.934 -6.141 -2.594 233 1HB SER 53 1HB SER 53 11.401 -4.804 -4.900 234 2HB SER 53 2HB SER 53 11.274 -6.551 -4.609 235 HG SER 53 HG SER 53 9.711 -5.826 -6.119 236 H LYS 54 H LYS 54 11.736 -3.449 -1.706 237 HA LYS 54 HA LYS 54 13.936 -5.135 -0.624 238 1HB LYS 54 1HB LYS 54 15.595 -3.459 -1.231 239 2HB LYS 54 2HB LYS 54 14.775 -4.083 -2.657 240 1HG LYS 54 1HG LYS 54 13.389 -2.039 -2.799 241 2HG LYS 54 2HG LYS 54 14.101 -1.431 -1.296 242 1HD LYS 54 1HD LYS 54 15.141 -0.296 -3.125 243 2HD LYS 54 2HD LYS 54 16.340 -1.388 -2.414 244 1HE LYS 54 1HE LYS 54 15.880 -3.048 -4.224 245 2HE LYS 54 2HE LYS 54 14.671 -1.954 -4.913 246 1HZ LYS 54 1HZ LYS 54 16.459 -0.333 -5.289 247 2HZ LYS 54 2HZ LYS 54 17.571 -1.348 -4.655 248 3HZ LYS 54 3HZ LYS 54 16.808 -1.735 -6.044 249 H GLN 55 H GLN 55 11.400 -3.592 0.410 250 HA GLN 55 HA GLN 55 12.672 -2.959 2.975 251 1HB GLN 55 1HB GLN 55 12.803 -0.797 1.722 252 2HB GLN 55 2HB GLN 55 11.048 -0.801 1.550 253 1HG GLN 55 1HG GLN 55 10.864 -0.813 4.078 254 2HG GLN 55 2HG GLN 55 12.625 -0.715 4.166 255 1HE2 GLN 55 1HE2 GLN 55 9.656 1.039 3.426 256 2HE2 GLN 55 2HE2 GLN 55 10.413 2.626 3.323 257 H CYS 56 H CYS 56 9.480 -2.235 1.475 258 HA CYS 56 HA CYS 56 8.171 -2.947 3.948 259 1HB CYS 56 1HB CYS 56 7.096 -1.886 1.299 260 2HB CYS 56 2HB CYS 56 6.212 -1.947 2.833 261 H ARG 57 H ARG 57 8.683 -4.693 1.031 262 HA ARG 57 HA ARG 57 6.711 -6.807 1.757 263 1HB ARG 57 1HB ARG 57 6.128 -4.856 -0.124 264 2HB ARG 57 2HB ARG 57 6.922 -6.035 -1.139 265 1HG ARG 57 1HG ARG 57 4.868 -6.981 -1.294 266 2HG ARG 57 2HG ARG 57 5.183 -7.660 0.299 267 1HD ARG 57 1HD ARG 57 3.631 -5.146 -0.416 268 2HD ARG 57 2HD ARG 57 2.999 -6.624 0.320 269 HE ARG 57 HE ARG 57 5.000 -5.509 2.044 270 1HH1 ARG 57 2HH2 ARG 57 1.799 -4.613 0.962 271 2HH1 ARG 57 1HH2 ARG 57 1.606 -3.472 2.268 272 1HH2 ARG 57 2HH1 ARG 57 4.639 -4.204 3.702 273 2HH2 ARG 57 1HH1 ARG 57 3.077 -3.433 3.930 274 H SER 58 H SER 58 9.763 -6.442 1.607 275 HA SER 58 HA SER 58 11.096 -7.912 -0.288 276 1HB SER 58 1HB SER 58 11.641 -7.973 2.698 277 2HB SER 58 2HB SER 58 12.801 -8.305 1.396 278 HG SER 58 HG SER 58 12.904 -6.120 2.206 No H/Q in entry = 278 Start of MODEL 11 1 H1 GLN 22 H2 GLN 22 -8.054 -0.172 -7.100 2 H2 GLN 22 H1 GLN 22 -7.304 0.935 -6.147 3 H3 GLN 22 H3 GLN 22 -6.737 0.641 -7.661 4 HA GLN 22 HA GLN 22 -6.151 -1.619 -7.046 5 1HB GLN 22 1HB GLN 22 -4.934 0.583 -5.304 6 2HB GLN 22 2HB GLN 22 -4.325 -1.058 -5.371 7 1HG GLN 22 1HG GLN 22 -2.908 0.006 -6.783 8 2HG GLN 22 2HG GLN 22 -4.029 -0.766 -7.893 9 1HE2 GLN 22 1HE2 GLN 22 -2.364 2.104 -7.367 10 2HE2 GLN 22 2HE2 GLN 22 -3.459 3.174 -8.232 11 H THR 23 H THR 23 -5.282 -2.477 -4.544 12 HA THR 23 HA THR 23 -7.826 -2.913 -3.012 13 HB THR 23 HB THR 23 -5.532 -4.832 -3.578 14 HG1 THR 23 HG1 THR 23 -7.051 -5.876 -4.845 15 1HG2 THR 23 3HG2 THR 23 -8.190 -5.361 -2.177 16 2HG2 THR 23 1HG2 THR 23 -6.977 -6.579 -2.618 17 3HG2 THR 23 2HG2 THR 23 -6.587 -5.364 -1.398 18 H CYS 24 H CYS 24 -7.666 -2.931 -0.760 19 HA CYS 24 HA CYS 24 -5.816 -1.129 0.343 20 1HB CYS 24 1HB CYS 24 -8.190 -1.765 1.074 21 2HB CYS 24 2HB CYS 24 -7.464 -3.155 1.887 22 H TYR 25 H TYR 25 -4.189 -1.273 1.856 23 HA TYR 25 HA TYR 25 -2.528 -3.658 2.066 24 1HB TYR 25 1HB TYR 25 -1.050 -2.369 3.233 25 2HB TYR 25 2HB TYR 25 -1.765 -1.183 2.163 26 HD1 TYR 25 HD1 TYR 25 -0.656 -1.752 5.413 27 HD2 TYR 25 HD2 TYR 25 -4.008 0.022 3.349 28 HE1 TYR 25 HE1 TYR 25 -1.167 -0.376 7.418 29 HE2 TYR 25 HE2 TYR 25 -4.533 1.359 5.371 30 HH TYR 25 HH TYR 25 -2.598 1.142 8.366 31 H ASN 26 H ASN 26 -5.321 -2.578 3.755 32 HA ASN 26 HA ASN 26 -4.754 -4.333 6.131 33 1HB ASN 26 1HB ASN 26 -4.206 -2.036 6.668 34 2HB ASN 26 2HB ASN 26 -5.709 -1.440 5.968 35 1HD2 ASN 26 1HD2 ASN 26 -7.642 -1.537 7.212 36 2HD2 ASN 26 2HD2 ASN 26 -7.603 -2.042 8.894 37 H CYS 27 H CYS 27 -7.380 -2.523 4.441 38 HA CYS 27 HA CYS 27 -9.487 -3.806 5.862 39 1HB CYS 27 1HB CYS 27 -9.569 -2.315 3.200 40 2HB CYS 27 2HB CYS 27 -10.915 -2.576 4.313 41 H GLY 28 H GLY 28 -7.681 -4.859 3.098 42 1HA GLY 28 2HA GLY 28 -9.119 -7.317 2.684 43 2HA GLY 28 1HA GLY 28 -7.834 -6.655 1.670 44 H LYS 29 H LYS 29 -9.958 -4.194 1.643 45 HA LYS 29 HA LYS 29 -11.965 -5.233 -0.264 46 1HB LYS 29 1HB LYS 29 -11.558 -2.709 1.338 47 2HB LYS 29 2HB LYS 29 -12.404 -2.555 -0.185 48 1HG LYS 29 1HG LYS 29 -14.025 -2.738 1.473 49 2HG LYS 29 2HG LYS 29 -14.097 -4.209 0.516 50 1HD LYS 29 1HD LYS 29 -12.556 -4.094 3.136 51 2HD LYS 29 2HD LYS 29 -14.309 -4.303 3.119 52 1HE LYS 29 1HE LYS 29 -14.154 -6.338 1.801 53 2HE LYS 29 2HE LYS 29 -12.405 -6.152 1.633 54 1HZ LYS 29 3HZ LYS 29 -13.806 -6.555 4.219 55 2HZ LYS 29 1HZ LYS 29 -12.956 -7.701 3.421 56 3HZ LYS 29 2HZ LYS 29 -12.185 -6.386 4.026 57 HA PRO 30 HA PRO 30 -9.911 -3.308 -3.888 58 1HB PRO 30 2HB PRO 30 -11.972 -3.341 -5.642 59 2HB PRO 30 1HB PRO 30 -11.193 -4.852 -5.101 60 1HG PRO 30 1HG PRO 30 -13.732 -3.588 -4.016 61 2HG PRO 30 2HG PRO 30 -13.488 -5.279 -4.562 62 1HD PRO 30 1HD PRO 30 -13.299 -4.505 -1.936 63 2HD PRO 30 2HD PRO 30 -12.314 -5.836 -2.614 64 H GLY 31 H GLY 31 -11.065 -1.399 -5.479 65 1HA GLY 31 2HA GLY 31 -12.781 0.515 -4.253 66 2HA GLY 31 1HA GLY 31 -11.680 0.823 -5.602 67 H HIS 32 H HIS 32 -9.295 0.086 -4.024 68 HA HIS 32 HA HIS 32 -9.150 2.280 -2.010 69 1HB HIS 32 1HB HIS 32 -8.133 -0.533 -2.099 70 2HB HIS 32 2HB HIS 32 -7.097 0.671 -1.346 71 HD1 HIS 32 HD1 HIS 32 -10.762 -0.586 -0.930 72 HD2 HIS 32 HD2 HIS 32 -7.621 1.371 1.068 73 HE1 HIS 32 HE1 HIS 32 -11.505 -0.317 1.506 74 H LEU 33 H LEU 33 -7.429 3.529 -1.830 75 HA LEU 33 HA LEU 33 -5.321 3.827 -3.848 76 1HB LEU 33 1HB LEU 33 -7.684 5.745 -3.483 77 2HB LEU 33 2HB LEU 33 -6.209 6.188 -4.325 78 HG LEU 33 HG LEU 33 -8.154 4.042 -5.260 79 1HD1 LEU 33 1HD1 LEU 33 -9.082 6.308 -5.383 80 2HD1 LEU 33 2HD1 LEU 33 -7.641 6.866 -6.262 81 3HD1 LEU 33 3HD1 LEU 33 -8.733 5.667 -6.997 82 1HD2 LEU 33 2HD2 LEU 33 -5.707 5.277 -6.611 83 2HD2 LEU 33 3HD2 LEU 33 -5.838 3.599 -6.039 84 3HD2 LEU 33 1HD2 LEU 33 -6.856 4.155 -7.371 85 H SER 34 H SER 34 -4.075 5.887 -3.273 86 HA SER 34 HA SER 34 -3.358 6.289 -0.590 87 1HB SER 34 1HB SER 34 -3.329 8.331 -2.842 88 2HB SER 34 2HB SER 34 -2.295 8.326 -1.401 89 HG SER 34 HG SER 34 -1.367 7.423 -3.405 90 H SER 35 H SER 35 -6.201 7.502 -2.221 91 HA SER 35 HA SER 35 -6.831 9.539 -0.177 92 1HB SER 35 1HB SER 35 -8.772 9.966 -1.686 93 2HB SER 35 2HB SER 35 -7.200 10.121 -2.489 94 HG SER 35 HG SER 35 -8.723 8.897 -3.724 95 H GLN 36 H GLN 36 -7.243 6.212 -0.384 96 HA GLN 36 HA GLN 36 -9.856 6.206 1.084 97 1HB GLN 36 1HB GLN 36 -9.514 4.930 -1.157 98 2HB GLN 36 2HB GLN 36 -8.476 3.849 -0.229 99 1HG GLN 36 1HG GLN 36 -10.563 2.780 -0.248 100 2HG GLN 36 2HG GLN 36 -10.505 3.511 1.349 101 1HE2 GLN 36 2HE2 GLN 36 -12.059 3.532 -1.835 102 2HE2 GLN 36 1HE2 GLN 36 -13.328 4.672 -1.387 103 H CYS 37 H CYS 37 -6.544 4.897 1.079 104 HA CYS 37 HA CYS 37 -6.463 4.752 4.027 105 1HB CYS 37 1HB CYS 37 -6.044 2.427 2.108 106 2HB CYS 37 2HB CYS 37 -5.171 2.493 3.625 107 H ARG 38 H ARG 38 -4.150 4.311 4.710 108 HA ARG 38 HA ARG 38 -2.372 6.291 3.720 109 1HB ARG 38 1HB ARG 38 -1.904 3.829 5.450 110 2HB ARG 38 2HB ARG 38 -0.659 5.034 5.129 111 1HG ARG 38 1HG ARG 38 -1.453 6.473 6.629 112 2HG ARG 38 2HG ARG 38 -3.087 6.399 5.993 113 1HD ARG 38 1HD ARG 38 -1.867 4.384 7.926 114 2HD ARG 38 2HD ARG 38 -2.899 5.728 8.402 115 HE ARG 38 HE ARG 38 -3.722 3.173 7.349 116 1HH1 ARG 38 1HH2 ARG 38 -4.818 6.507 7.537 117 2HH1 ARG 38 2HH2 ARG 38 -6.481 6.058 7.285 118 1HH2 ARG 38 2HH1 ARG 38 -5.848 2.694 7.008 119 2HH2 ARG 38 1HH1 ARG 38 -7.033 3.959 6.928 120 H ALA 39 H ALA 39 -2.603 2.912 2.723 121 HA ALA 39 HA ALA 39 -1.389 3.641 0.213 122 1HB ALA 39 1HB ALA 39 -0.017 1.524 1.938 123 2HB ALA 39 2HB ALA 39 0.402 1.897 0.262 124 3HB ALA 39 3HB ALA 39 0.675 3.113 1.519 125 HA PRO 40 HA PRO 40 -3.717 -0.183 -0.910 126 1HB PRO 40 2HB PRO 40 -2.673 -0.746 -3.354 127 2HB PRO 40 1HB PRO 40 -3.761 0.649 -3.086 128 1HG PRO 40 1HG PRO 40 -0.726 0.651 -3.187 129 2HG PRO 40 2HG PRO 40 -1.861 1.731 -4.059 130 1HD PRO 40 1HD PRO 40 -0.656 2.425 -1.693 131 2HD PRO 40 2HD PRO 40 -2.297 2.984 -2.123 132 H LYS 41 H LYS 41 -3.044 -2.444 -1.578 133 HA LYS 41 HA LYS 41 -1.362 -3.668 0.255 134 1HB LYS 41 1HB LYS 41 -3.295 -4.574 -1.150 135 2HB LYS 41 2HB LYS 41 -2.130 -4.840 -2.445 136 1HG LYS 41 1HG LYS 41 -0.886 -6.424 -1.031 137 2HG LYS 41 2HG LYS 41 -1.906 -6.021 0.365 138 1HD LYS 41 1HD LYS 41 -3.885 -6.933 -0.809 139 2HD LYS 41 2HD LYS 41 -2.877 -7.307 -2.228 140 1HE LYS 41 1HE LYS 41 -1.472 -8.807 -0.832 141 2HE LYS 41 2HE LYS 41 -2.471 -8.437 0.580 142 1HZ LYS 41 2HZ LYS 41 -3.447 -9.775 -1.891 143 2HZ LYS 41 3HZ LYS 41 -3.154 -10.519 -0.470 144 3HZ LYS 41 1HZ LYS 41 -4.368 -9.437 -0.582 145 H VAL 42 H VAL 42 -0.205 -2.112 -2.514 146 HA VAL 42 HA VAL 42 2.302 -3.388 -3.018 147 HB VAL 42 HB VAL 42 1.547 -0.434 -3.070 148 1HG1 VAL 42 1HG1 VAL 42 3.829 -1.904 -4.448 149 2HG1 VAL 42 2HG1 VAL 42 3.355 -0.221 -4.765 150 3HG1 VAL 42 3HG1 VAL 42 3.980 -0.666 -3.178 151 1HG2 VAL 42 2HG2 VAL 42 1.473 -2.533 -5.282 152 2HG2 VAL 42 3HG2 VAL 42 0.062 -1.739 -4.550 153 3HG2 VAL 42 1HG2 VAL 42 1.199 -0.793 -5.505 154 H CYS 43 H CYS 43 1.271 -1.227 -0.381 155 HA CYS 43 HA CYS 43 3.854 -1.529 1.042 156 1HB CYS 43 1HB CYS 43 3.985 0.342 -0.652 157 2HB CYS 43 2HB CYS 43 2.688 1.168 0.222 158 H PHE 44 H PHE 44 3.218 0.678 2.735 159 HA PHE 44 HA PHE 44 0.559 0.210 3.947 160 1HB PHE 44 1HB PHE 44 1.327 -0.111 6.141 161 2HB PHE 44 2HB PHE 44 2.267 -1.225 5.167 162 HD1 PHE 44 HD1 PHE 44 2.344 1.586 7.464 163 HD2 PHE 44 HD2 PHE 44 4.707 -0.582 4.575 164 HE1 PHE 44 HE1 PHE 44 4.411 2.616 8.378 165 HE2 PHE 44 HE2 PHE 44 6.768 0.452 5.495 166 HZ PHE 44 HZ PHE 44 6.625 2.055 7.388 167 H LYS 45 H LYS 45 3.260 2.343 3.280 168 HA LYS 45 HA LYS 45 1.623 4.714 3.910 169 1HB LYS 45 1HB LYS 45 2.655 4.076 6.086 170 2HB LYS 45 2HB LYS 45 4.260 4.183 5.362 171 1HG LYS 45 1HG LYS 45 3.890 6.614 4.937 172 2HG LYS 45 2HG LYS 45 2.262 6.477 5.633 173 1HD LYS 45 1HD LYS 45 3.261 5.767 7.799 174 2HD LYS 45 2HD LYS 45 4.885 5.905 7.091 175 1HE LYS 45 1HE LYS 45 4.473 8.320 6.644 176 2HE LYS 45 2HE LYS 45 2.864 8.178 7.362 177 1HZ LYS 45 3HZ LYS 45 3.936 7.573 9.472 178 2HZ LYS 45 1HZ LYS 45 5.423 7.713 8.806 179 3HZ LYS 45 2HZ LYS 45 4.473 9.028 8.968 180 H CYS 46 H CYS 46 5.063 3.835 3.173 181 HA CYS 46 HA CYS 46 5.520 6.336 1.898 182 1HB CYS 46 1HB CYS 46 7.763 5.097 1.343 183 2HB CYS 46 2HB CYS 46 7.347 5.576 2.984 184 H LYS 47 H LYS 47 4.754 3.196 0.510 185 HA LYS 47 HA LYS 47 4.335 2.502 -1.641 186 1HB LYS 47 1HB LYS 47 2.308 3.561 -2.441 187 2HB LYS 47 2HB LYS 47 2.320 3.347 -0.697 188 1HG LYS 47 1HG LYS 47 2.912 5.747 -0.402 189 2HG LYS 47 2HG LYS 47 2.839 5.979 -2.151 190 1HD LYS 47 1HD LYS 47 0.484 5.489 -2.190 191 2HD LYS 47 2HD LYS 47 0.488 4.911 -0.518 192 1HE LYS 47 1HE LYS 47 1.251 7.761 -1.275 193 2HE LYS 47 2HE LYS 47 -0.414 7.278 -0.936 194 1HZ LYS 47 2HZ LYS 47 1.801 6.920 1.016 195 2HZ LYS 47 3HZ LYS 47 0.715 8.152 1.053 196 3HZ LYS 47 1HZ LYS 47 0.232 6.599 1.272 197 H GLN 48 H GLN 48 6.795 4.121 -1.861 198 HA GLN 48 HA GLN 48 6.690 5.575 -4.324 199 1HB GLN 48 1HB GLN 48 9.059 4.241 -2.947 200 2HB GLN 48 2HB GLN 48 9.182 5.401 -4.262 201 1HG GLN 48 1HG GLN 48 8.112 5.940 -1.463 202 2HG GLN 48 2HG GLN 48 9.625 6.502 -2.149 203 1HE2 GLN 48 2HE2 GLN 48 6.297 7.278 -1.721 204 2HE2 GLN 48 1HE2 GLN 48 6.287 8.693 -2.781 205 HA PRO 49 HA PRO 49 6.278 2.881 -7.571 206 1HB PRO 49 2HB PRO 49 8.883 3.836 -8.780 207 2HB PRO 49 1HB PRO 49 7.290 3.616 -9.574 208 1HG PRO 49 1HG PRO 49 8.048 6.076 -8.772 209 2HG PRO 49 2HG PRO 49 6.379 5.511 -8.433 210 1HD PRO 49 1HD PRO 49 8.749 5.615 -6.569 211 2HD PRO 49 2HD PRO 49 7.042 6.052 -6.274 212 H GLY 50 H GLY 50 9.421 2.255 -6.104 213 1HA GLY 50 2HA GLY 50 10.606 0.222 -7.382 214 2HA GLY 50 1HA GLY 50 9.146 -0.614 -6.853 215 H HIS 51 H HIS 51 9.835 1.539 -4.401 216 HA HIS 51 HA HIS 51 12.067 0.407 -3.075 217 1HB HIS 51 1HB HIS 51 11.488 1.803 -1.297 218 2HB HIS 51 2HB HIS 51 10.847 2.662 -2.689 219 HD1 HIS 51 HD1 HIS 51 7.944 1.860 -3.037 220 HD2 HIS 51 HD2 HIS 51 9.912 1.407 0.664 221 HE1 HIS 51 HE1 HIS 51 6.154 1.309 -1.322 222 H PHE 52 H PHE 52 8.735 -0.690 -3.150 223 HA PHE 52 HA PHE 52 8.557 -1.925 -0.631 224 1HB PHE 52 1HB PHE 52 6.650 -3.206 -1.742 225 2HB PHE 52 2HB PHE 52 6.560 -1.461 -1.697 226 HD1 PHE 52 HD1 PHE 52 6.575 -0.114 -3.709 227 HD2 PHE 52 HD2 PHE 52 7.089 -4.395 -3.928 228 HE1 PHE 52 HE1 PHE 52 6.223 -0.030 -6.154 229 HE2 PHE 52 HE2 PHE 52 6.753 -4.299 -6.384 230 HZ PHE 52 HZ PHE 52 6.324 -2.117 -7.505 231 H SER 53 H SER 53 9.571 -3.381 -3.737 232 HA SER 53 HA SER 53 9.961 -6.032 -2.832 233 1HB SER 53 1HB SER 53 11.415 -4.529 -5.043 234 2HB SER 53 2HB SER 53 11.327 -6.292 -4.859 235 HG SER 53 HG SER 53 9.755 -5.524 -6.330 236 H LYS 54 H LYS 54 11.711 -3.376 -1.740 237 HA LYS 54 HA LYS 54 13.905 -5.124 -0.728 238 1HB LYS 54 1HB LYS 54 15.562 -3.404 -1.177 239 2HB LYS 54 2HB LYS 54 14.781 -3.940 -2.660 240 1HG LYS 54 1HG LYS 54 13.407 -1.902 -2.737 241 2HG LYS 54 2HG LYS 54 14.024 -1.391 -1.159 242 1HD LYS 54 1HD LYS 54 15.138 -0.125 -2.861 243 2HD LYS 54 2HD LYS 54 16.313 -1.223 -2.123 244 1HE LYS 54 1HE LYS 54 16.029 -2.793 -4.046 245 2HE LYS 54 2HE LYS 54 14.845 -1.693 -4.764 246 1HZ LYS 54 3HZ LYS 54 16.614 -0.013 -4.921 247 2HZ LYS 54 1HZ LYS 54 17.702 -1.037 -4.258 248 3HZ LYS 54 2HZ LYS 54 17.055 -1.366 -5.717 249 H GLN 55 H GLN 55 11.332 -3.585 0.356 250 HA GLN 55 HA GLN 55 12.587 -3.044 2.968 251 1HB GLN 55 1HB GLN 55 12.753 -0.878 1.700 252 2HB GLN 55 2HB GLN 55 10.994 -0.856 1.557 253 1HG GLN 55 1HG GLN 55 10.857 -0.878 4.090 254 2HG GLN 55 2HG GLN 55 12.619 -0.792 4.144 255 1HE2 GLN 55 1HE2 GLN 55 9.647 0.980 3.488 256 2HE2 GLN 55 2HE2 GLN 55 10.408 2.563 3.374 257 H CYS 56 H CYS 56 9.433 -2.460 1.317 258 HA CYS 56 HA CYS 56 8.062 -3.081 3.832 259 1HB CYS 56 1HB CYS 56 7.092 -1.844 1.223 260 2HB CYS 56 2HB CYS 56 6.165 -1.961 2.726 261 H ARG 57 H ARG 57 8.510 -4.700 0.819 262 HA ARG 57 HA ARG 57 6.557 -6.831 1.558 263 1HB ARG 57 1HB ARG 57 5.982 -4.906 -0.374 264 2HB ARG 57 2HB ARG 57 6.758 -6.136 -1.346 265 1HG ARG 57 1HG ARG 57 4.682 -7.036 -1.467 266 2HG ARG 57 2HG ARG 57 5.009 -7.693 0.132 267 1HD ARG 57 1HD ARG 57 3.486 -5.165 -0.598 268 2HD ARG 57 2HD ARG 57 2.834 -6.630 0.146 269 HE ARG 57 HE ARG 57 4.861 -5.531 1.856 270 1HH1 ARG 57 2HH2 ARG 57 1.659 -4.608 0.793 271 2HH1 ARG 57 1HH2 ARG 57 1.483 -3.478 2.111 272 1HH2 ARG 57 1HH1 ARG 57 4.511 -4.237 3.526 273 2HH2 ARG 57 2HH1 ARG 57 2.953 -3.456 3.762 274 H SER 58 H SER 58 9.672 -6.248 1.074 275 HA SER 58 HA SER 58 10.717 -8.232 -0.666 276 1HB SER 58 1HB SER 58 12.762 -7.990 0.842 277 2HB SER 58 2HB SER 58 12.169 -6.538 0.031 278 HG SER 58 HG SER 58 11.558 -7.269 2.720 No H/Q in entry = 278 Start of MODEL 12 1 H1 GLN 22 H3 GLN 22 -6.960 0.748 -5.686 2 H2 GLN 22 H2 GLN 22 -6.879 0.274 -7.257 3 H3 GLN 22 H1 GLN 22 -7.941 -0.450 -6.220 4 HA GLN 22 HA GLN 22 -6.109 -1.936 -6.573 5 1HB GLN 22 1HB GLN 22 -4.475 0.530 -5.867 6 2HB GLN 22 2HB GLN 22 -3.883 -1.075 -5.474 7 1HG GLN 22 1HG GLN 22 -2.881 -0.569 -7.502 8 2HG GLN 22 2HG GLN 22 -4.116 -1.758 -7.880 9 1HE2 GLN 22 2HE2 GLN 22 -2.917 -0.090 -9.868 10 2HE2 GLN 22 1HE2 GLN 22 -4.169 1.003 -10.450 11 H THR 23 H THR 23 -6.202 -3.447 -4.997 12 HA THR 23 HA THR 23 -7.727 -3.134 -2.772 13 HB THR 23 HB THR 23 -5.501 -5.179 -2.997 14 HG1 THR 23 HG1 THR 23 -7.043 -6.339 -4.216 15 1HG2 THR 23 3HG2 THR 23 -8.321 -5.371 -1.842 16 2HG2 THR 23 1HG2 THR 23 -7.138 -6.689 -1.934 17 3HG2 THR 23 2HG2 THR 23 -6.821 -5.308 -0.881 18 H CYS 24 H CYS 24 -7.610 -2.496 -0.737 19 HA CYS 24 HA CYS 24 -5.620 -0.957 0.392 20 1HB CYS 24 1HB CYS 24 -8.051 -1.333 1.082 21 2HB CYS 24 2HB CYS 24 -7.506 -2.779 1.925 22 H TYR 25 H TYR 25 -3.971 -1.215 1.878 23 HA TYR 25 HA TYR 25 -2.587 -3.734 2.175 24 1HB TYR 25 1HB TYR 25 -1.021 -2.594 3.381 25 2HB TYR 25 2HB TYR 25 -1.624 -1.332 2.331 26 HD1 TYR 25 HD1 TYR 25 -0.451 -1.856 5.494 27 HD2 TYR 25 HD2 TYR 25 -3.933 -0.154 3.590 28 HE1 TYR 25 HE1 TYR 25 -0.880 -0.458 7.507 29 HE2 TYR 25 HE2 TYR 25 -4.382 1.182 5.612 30 HH TYR 25 HH TYR 25 -2.270 1.072 8.503 31 H ASN 26 H ASN 26 -5.367 -2.521 3.796 32 HA ASN 26 HA ASN 26 -5.068 -4.565 5.966 33 1HB ASN 26 1HB ASN 26 -4.282 -2.321 6.715 34 2HB ASN 26 2HB ASN 26 -5.859 -1.641 6.315 35 1HD2 ASN 26 1HD2 ASN 26 -4.189 -3.998 8.434 36 2HD2 ASN 26 2HD2 ASN 26 -5.427 -3.959 9.680 37 H CYS 27 H CYS 27 -7.428 -2.417 4.261 38 HA CYS 27 HA CYS 27 -9.714 -3.643 5.469 39 1HB CYS 27 1HB CYS 27 -9.522 -1.958 2.938 40 2HB CYS 27 2HB CYS 27 -10.980 -2.288 3.871 41 H GLY 28 H GLY 28 -7.755 -4.799 2.875 42 1HA GLY 28 2HA GLY 28 -9.269 -7.126 2.320 43 2HA GLY 28 1HA GLY 28 -7.983 -6.464 1.305 44 H LYS 29 H LYS 29 -9.369 -3.961 0.743 45 HA LYS 29 HA LYS 29 -11.796 -4.791 -0.795 46 1HB LYS 29 1HB LYS 29 -12.214 -3.531 1.274 47 2HB LYS 29 2HB LYS 29 -11.177 -2.237 0.712 48 1HG LYS 29 1HG LYS 29 -13.432 -1.550 0.392 49 2HG LYS 29 2HG LYS 29 -12.774 -1.853 -1.215 50 1HD LYS 29 1HD LYS 29 -13.928 -4.053 -1.283 51 2HD LYS 29 2HD LYS 29 -14.500 -3.808 0.382 52 1HE LYS 29 1HE LYS 29 -15.733 -1.775 -0.352 53 2HE LYS 29 2HE LYS 29 -15.184 -2.037 -2.010 54 1HZ LYS 29 1HZ LYS 29 -16.888 -3.920 -0.463 55 2HZ LYS 29 2HZ LYS 29 -17.410 -2.943 -1.659 56 3HZ LYS 29 3HZ LYS 29 -16.386 -4.164 -1.999 57 HA PRO 30 HA PRO 30 -9.185 -3.666 -4.314 58 1HB PRO 30 2HB PRO 30 -11.903 -3.633 -5.634 59 2HB PRO 30 1HB PRO 30 -10.351 -4.281 -6.259 60 1HG PRO 30 1HG PRO 30 -12.153 -5.959 -5.160 61 2HG PRO 30 2HG PRO 30 -10.419 -6.114 -4.720 62 1HD PRO 30 1HD PRO 30 -12.652 -4.818 -3.158 63 2HD PRO 30 2HD PRO 30 -11.318 -5.867 -2.588 64 H GLY 31 H GLY 31 -12.084 -1.718 -3.623 65 1HA GLY 31 2HA GLY 31 -12.708 0.432 -4.141 66 2HA GLY 31 1HA GLY 31 -11.478 0.450 -5.403 67 H HIS 32 H HIS 32 -9.232 -0.006 -3.542 68 HA HIS 32 HA HIS 32 -9.232 2.474 -1.906 69 1HB HIS 32 1HB HIS 32 -7.843 -0.163 -1.701 70 2HB HIS 32 2HB HIS 32 -6.983 1.259 -1.120 71 HD1 HIS 32 HD1 HIS 32 -10.442 -0.402 -0.553 72 HD2 HIS 32 HD2 HIS 32 -7.541 2.013 1.271 73 HE1 HIS 32 HE1 HIS 32 -11.245 -0.008 1.855 74 H LEU 33 H LEU 33 -7.403 3.723 -1.739 75 HA LEU 33 HA LEU 33 -5.593 4.176 -3.999 76 1HB LEU 33 1HB LEU 33 -7.910 6.032 -3.228 77 2HB LEU 33 2HB LEU 33 -6.552 6.548 -4.214 78 HG LEU 33 HG LEU 33 -8.566 4.416 -5.033 79 1HD1 LEU 33 2HD1 LEU 33 -9.538 6.665 -4.918 80 2HD1 LEU 33 3HD1 LEU 33 -8.217 7.304 -5.921 81 3HD1 LEU 33 1HD1 LEU 33 -9.367 6.127 -6.595 82 1HD2 LEU 33 2HD2 LEU 33 -6.309 5.772 -6.587 83 2HD2 LEU 33 3HD2 LEU 33 -6.366 4.058 -6.117 84 3HD2 LEU 33 1HD2 LEU 33 -7.535 4.688 -7.278 85 H SER 34 H SER 34 -4.306 6.202 -3.485 86 HA SER 34 HA SER 34 -3.084 6.303 -0.993 87 1HB SER 34 1HB SER 34 -3.406 8.520 -3.054 88 2HB SER 34 2HB SER 34 -2.165 8.464 -1.788 89 HG SER 34 HG SER 34 -1.485 7.645 -3.887 90 H SER 35 H SER 35 -6.188 7.616 -1.654 91 HA SER 35 HA SER 35 -6.159 9.241 0.864 92 1HB SER 35 1HB SER 35 -7.917 9.600 -1.586 93 2HB SER 35 2HB SER 35 -7.898 10.626 -0.144 94 HG SER 35 HG SER 35 -5.767 11.233 -0.649 95 H GLN 36 H GLN 36 -7.147 6.276 -0.144 96 HA GLN 36 HA GLN 36 -9.775 6.302 1.273 97 1HB GLN 36 1HB GLN 36 -9.325 5.139 -1.020 98 2HB GLN 36 2HB GLN 36 -8.447 3.944 -0.075 99 1HG GLN 36 1HG GLN 36 -10.581 2.998 -0.228 100 2HG GLN 36 2HG GLN 36 -10.671 3.780 1.340 101 1HE2 GLN 36 2HE2 GLN 36 -11.888 3.725 -1.981 102 2HE2 GLN 36 1HE2 GLN 36 -13.085 4.990 -1.733 103 H CYS 37 H CYS 37 -6.542 4.829 1.365 104 HA CYS 37 HA CYS 37 -6.499 4.905 4.275 105 1HB CYS 37 1HB CYS 37 -6.084 2.323 2.708 106 2HB CYS 37 2HB CYS 37 -5.248 2.600 4.213 107 H ARG 38 H ARG 38 -4.108 4.259 4.930 108 HA ARG 38 HA ARG 38 -2.308 6.161 3.870 109 1HB ARG 38 1HB ARG 38 -1.738 3.607 5.446 110 2HB ARG 38 2HB ARG 38 -0.545 4.832 5.047 111 1HG ARG 38 1HG ARG 38 -0.987 5.579 7.078 112 2HG ARG 38 2HG ARG 38 -2.241 6.496 6.263 113 1HD ARG 38 1HD ARG 38 -2.749 3.764 7.518 114 2HD ARG 38 2HD ARG 38 -2.741 5.228 8.486 115 HE ARG 38 HE ARG 38 -4.557 6.117 6.994 116 1HH1 ARG 38 2HH2 ARG 38 -4.343 2.633 7.568 117 2HH1 ARG 38 1HH2 ARG 38 -6.054 2.440 7.277 118 1HH2 ARG 38 1HH1 ARG 38 -6.725 5.733 6.724 119 2HH2 ARG 38 2HH1 ARG 38 -7.299 4.091 6.677 120 H ALA 39 H ALA 39 -2.670 2.752 2.871 121 HA ALA 39 HA ALA 39 -1.507 3.407 0.300 122 1HB ALA 39 3HB ALA 39 0.568 2.984 1.610 123 2HB ALA 39 1HB ALA 39 -0.086 1.408 2.125 124 3HB ALA 39 2HB ALA 39 0.320 1.691 0.428 125 HA PRO 40 HA PRO 40 -3.676 -0.533 -0.749 126 1HB PRO 40 2HB PRO 40 -2.558 -1.116 -3.151 127 2HB PRO 40 1HB PRO 40 -3.710 0.239 -2.953 128 1HG PRO 40 1HG PRO 40 -0.678 0.371 -2.983 129 2HG PRO 40 2HG PRO 40 -1.836 1.372 -3.914 130 1HD PRO 40 1HD PRO 40 -0.720 2.188 -1.546 131 2HD PRO 40 2HD PRO 40 -2.374 2.662 -2.028 132 H LYS 41 H LYS 41 -2.919 -2.816 -1.193 133 HA LYS 41 HA LYS 41 -0.996 -3.658 0.694 134 1HB LYS 41 1HB LYS 41 -1.445 -5.896 -0.042 135 2HB LYS 41 2HB LYS 41 -2.945 -4.980 -0.021 136 1HG LYS 41 1HG LYS 41 -2.846 -4.723 -2.491 137 2HG LYS 41 2HG LYS 41 -1.308 -5.608 -2.522 138 1HD LYS 41 1HD LYS 41 -2.429 -7.591 -1.529 139 2HD LYS 41 2HD LYS 41 -3.976 -6.718 -1.538 140 1HE LYS 41 1HE LYS 41 -3.860 -6.513 -4.002 141 2HE LYS 41 2HE LYS 41 -2.278 -7.301 -4.010 142 1HZ LYS 41 1HZ LYS 41 -4.796 -8.600 -3.101 143 2HZ LYS 41 2HZ LYS 41 -4.059 -8.874 -4.530 144 3HZ LYS 41 3HZ LYS 41 -3.328 -9.313 -3.142 145 H VAL 42 H VAL 42 -0.136 -2.387 -2.219 146 HA VAL 42 HA VAL 42 2.366 -3.684 -2.807 147 HB VAL 42 HB VAL 42 1.562 -0.747 -3.004 148 1HG1 VAL 42 1HG1 VAL 42 3.778 -2.290 -4.405 149 2HG1 VAL 42 2HG1 VAL 42 3.279 -0.631 -4.802 150 3HG1 VAL 42 3HG1 VAL 42 3.986 -0.975 -3.225 151 1HG2 VAL 42 1HG2 VAL 42 1.385 -2.981 -5.074 152 2HG2 VAL 42 2HG2 VAL 42 0.010 -2.143 -4.320 153 3HG2 VAL 42 3HG2 VAL 42 1.091 -1.259 -5.393 154 H CYS 43 H CYS 43 1.351 -1.425 -0.259 155 HA CYS 43 HA CYS 43 3.983 -1.568 1.101 156 1HB CYS 43 1HB CYS 43 3.946 0.253 -0.655 157 2HB CYS 43 2HB CYS 43 2.636 1.031 0.242 158 H PHE 44 H PHE 44 3.361 0.574 2.797 159 HA PHE 44 HA PHE 44 0.737 0.072 4.085 160 1HB PHE 44 1HB PHE 44 1.582 -0.154 6.256 161 2HB PHE 44 2HB PHE 44 2.562 -1.241 5.293 162 HD1 PHE 44 HD1 PHE 44 2.526 1.653 7.491 163 HD2 PHE 44 HD2 PHE 44 4.946 -0.481 4.624 164 HE1 PHE 44 HE1 PHE 44 4.546 2.837 8.314 165 HE2 PHE 44 HE2 PHE 44 6.961 0.708 5.452 166 HZ PHE 44 HZ PHE 44 6.766 2.371 7.291 167 H LYS 45 H LYS 45 3.277 2.303 3.186 168 HA LYS 45 HA LYS 45 1.526 4.589 3.758 169 1HB LYS 45 1HB LYS 45 2.673 4.133 5.945 170 2HB LYS 45 2HB LYS 45 4.233 4.391 5.164 171 1HG LYS 45 1HG LYS 45 3.578 6.736 4.646 172 2HG LYS 45 2HG LYS 45 1.978 6.444 5.364 173 1HD LYS 45 1HD LYS 45 3.066 5.959 7.553 174 2HD LYS 45 2HD LYS 45 4.656 6.276 6.824 175 1HE LYS 45 1HE LYS 45 3.935 8.593 6.277 176 2HE LYS 45 2HE LYS 45 2.353 8.275 6.998 177 1HZ LYS 45 3HZ LYS 45 3.476 7.913 9.136 178 2HZ LYS 45 1HZ LYS 45 4.937 8.214 8.468 179 3HZ LYS 45 2HZ LYS 45 3.823 9.400 8.567 180 H CYS 46 H CYS 46 4.998 3.900 2.963 181 HA CYS 46 HA CYS 46 5.264 6.349 1.551 182 1HB CYS 46 1HB CYS 46 7.533 5.166 0.916 183 2HB CYS 46 2HB CYS 46 7.194 5.763 2.536 184 H LYS 47 H LYS 47 4.560 3.130 0.342 185 HA LYS 47 HA LYS 47 4.076 2.314 -1.751 186 1HB LYS 47 1HB LYS 47 1.980 3.257 -2.510 187 2HB LYS 47 2HB LYS 47 2.074 3.151 -0.758 188 1HG LYS 47 1HG LYS 47 2.608 5.587 -0.646 189 2HG LYS 47 2HG LYS 47 2.430 5.701 -2.398 190 1HD LYS 47 1HD LYS 47 0.093 5.151 -2.272 191 2HD LYS 47 2HD LYS 47 0.212 4.663 -0.574 192 1HE LYS 47 1HE LYS 47 0.839 7.487 -1.520 193 2HE LYS 47 2HE LYS 47 -0.787 6.974 -1.061 194 1HZ LYS 47 3HZ LYS 47 1.540 6.772 0.780 195 2HZ LYS 47 1HZ LYS 47 0.434 7.988 0.811 196 3HZ LYS 47 2HZ LYS 47 -0.004 6.443 1.139 197 H GLN 48 H GLN 48 6.463 4.016 -2.152 198 HA GLN 48 HA GLN 48 6.197 5.326 -4.682 199 1HB GLN 48 1HB GLN 48 8.677 4.158 -3.350 200 2HB GLN 48 2HB GLN 48 8.692 5.249 -4.729 201 1HG GLN 48 1HG GLN 48 7.731 5.897 -1.913 202 2HG GLN 48 2HG GLN 48 9.184 6.480 -2.698 203 1HE2 GLN 48 2HE2 GLN 48 5.846 7.141 -2.157 204 2HE2 GLN 48 1HE2 GLN 48 5.729 8.497 -3.285 205 HA PRO 49 HA PRO 49 5.715 2.445 -7.750 206 1HB PRO 49 2HB PRO 49 8.213 3.433 -9.143 207 2HB PRO 49 1HB PRO 49 6.596 3.102 -9.841 208 1HG PRO 49 1HG PRO 49 7.284 5.631 -9.213 209 2HG PRO 49 2HG PRO 49 5.659 5.019 -8.761 210 1HD PRO 49 1HD PRO 49 8.105 5.336 -7.025 211 2HD PRO 49 2HD PRO 49 6.392 5.704 -6.671 212 H GLY 50 H GLY 50 8.977 2.044 -6.457 213 1HA GLY 50 2HA GLY 50 10.159 -0.008 -7.704 214 2HA GLY 50 1HA GLY 50 8.793 -0.879 -7.008 215 H HIS 51 H HIS 51 9.470 1.393 -4.710 216 HA HIS 51 HA HIS 51 11.901 0.515 -3.526 217 1HB HIS 51 1HB HIS 51 11.336 1.945 -1.760 218 2HB HIS 51 2HB HIS 51 10.562 2.692 -3.148 219 HD1 HIS 51 HD1 HIS 51 7.693 1.727 -3.271 220 HD2 HIS 51 HD2 HIS 51 9.896 1.609 0.324 221 HE1 HIS 51 HE1 HIS 51 6.032 1.250 -1.416 222 H PHE 52 H PHE 52 8.660 -0.773 -3.255 223 HA PHE 52 HA PHE 52 8.676 -1.714 -0.640 224 1HB PHE 52 1HB PHE 52 6.754 -3.154 -1.433 225 2HB PHE 52 2HB PHE 52 6.625 -1.434 -1.710 226 HD1 PHE 52 HD1 PHE 52 6.569 -0.484 -3.953 227 HD2 PHE 52 HD2 PHE 52 7.099 -4.726 -3.363 228 HE1 PHE 52 HE1 PHE 52 6.122 -0.875 -6.353 229 HE2 PHE 52 HE2 PHE 52 6.666 -5.107 -5.775 230 HZ PHE 52 HZ PHE 52 6.182 -3.182 -7.278 231 H SER 53 H SER 53 9.636 -3.551 -3.559 232 HA SER 53 HA SER 53 10.130 -6.044 -2.333 233 1HB SER 53 1HB SER 53 11.593 -4.807 -4.694 234 2HB SER 53 2HB SER 53 11.466 -6.536 -4.314 235 HG SER 53 HG SER 53 9.936 -5.893 -5.894 236 H LYS 54 H LYS 54 11.796 -3.205 -1.617 237 HA LYS 54 HA LYS 54 14.205 -4.674 -0.618 238 1HB LYS 54 1HB LYS 54 14.200 -1.805 -1.642 239 2HB LYS 54 2HB LYS 54 15.574 -2.777 -1.140 240 1HG LYS 54 1HG LYS 54 15.872 -3.065 -3.348 241 2HG LYS 54 2HG LYS 54 14.713 -4.375 -3.142 242 1HD LYS 54 1HD LYS 54 12.877 -2.704 -3.800 243 2HD LYS 54 2HD LYS 54 14.164 -1.523 -4.102 244 1HE LYS 54 1HE LYS 54 15.192 -3.172 -5.731 245 2HE LYS 54 2HE LYS 54 13.787 -4.216 -5.486 246 1HZ LYS 54 2HZ LYS 54 12.408 -2.258 -6.235 247 2HZ LYS 54 3HZ LYS 54 13.782 -1.486 -6.646 248 3HZ LYS 54 1HZ LYS 54 13.382 -2.870 -7.411 249 H GLN 55 H GLN 55 11.480 -3.330 0.526 250 HA GLN 55 HA GLN 55 12.724 -2.698 3.113 251 1HB GLN 55 1HB GLN 55 12.804 -0.529 1.874 252 2HB GLN 55 2HB GLN 55 11.055 -0.588 1.672 253 1HG GLN 55 1HG GLN 55 10.823 -0.587 4.194 254 2HG GLN 55 2HG GLN 55 12.579 -0.446 4.315 255 1HE2 GLN 55 1HE2 GLN 55 9.587 1.214 3.387 256 2HE2 GLN 55 2HE2 GLN 55 10.298 2.824 3.329 257 H CYS 56 H CYS 56 9.536 -2.136 1.538 258 HA CYS 56 HA CYS 56 8.199 -2.790 4.017 259 1HB CYS 56 1HB CYS 56 7.139 -1.864 1.312 260 2HB CYS 56 2HB CYS 56 6.245 -1.868 2.842 261 H ARG 57 H ARG 57 8.797 -4.582 1.136 262 HA ARG 57 HA ARG 57 6.902 -6.752 1.905 263 1HB ARG 57 1HB ARG 57 6.273 -4.875 -0.040 264 2HB ARG 57 2HB ARG 57 7.113 -6.060 -1.009 265 1HG ARG 57 1HG ARG 57 5.087 -7.068 -1.153 266 2HG ARG 57 2HG ARG 57 5.415 -7.695 0.457 267 1HD ARG 57 1HD ARG 57 3.784 -5.252 -0.330 268 2HD ARG 57 2HD ARG 57 3.199 -6.732 0.443 269 HE ARG 57 HE ARG 57 5.151 -5.509 2.146 270 1HH1 ARG 57 2HH1 ARG 57 1.917 -4.756 1.038 271 2HH1 ARG 57 1HH1 ARG 57 1.691 -3.582 2.312 272 1HH2 ARG 57 1HH2 ARG 57 4.740 -4.176 3.769 273 2HH2 ARG 57 2HH2 ARG 57 3.153 -3.447 3.969 274 H SER 58 H SER 58 9.938 -6.272 1.772 275 HA SER 58 HA SER 58 11.341 -7.765 -0.062 276 1HB SER 58 1HB SER 58 11.873 -7.678 2.925 277 2HB SER 58 2HB SER 58 13.051 -8.016 1.642 278 HG SER 58 HG SER 58 13.080 -5.802 2.342 No H/Q in entry = 278 Start of MODEL 13 1 H1 GLN 22 H1 GLN 22 -6.979 0.681 -5.707 2 H2 GLN 22 H3 GLN 22 -7.045 0.164 -7.270 3 H3 GLN 22 H2 GLN 22 -8.085 -0.439 -6.149 4 HA GLN 22 HA GLN 22 -6.431 -2.070 -6.595 5 1HB GLN 22 1HB GLN 22 -4.663 -0.500 -7.345 6 2HB GLN 22 2HB GLN 22 -4.461 0.076 -5.692 7 1HG GLN 22 1HG GLN 22 -2.682 -1.468 -6.280 8 2HG GLN 22 2HG GLN 22 -3.653 -2.164 -4.993 9 1HE2 GLN 22 1HE2 GLN 22 -2.124 -2.980 -7.866 10 2HE2 GLN 22 2HE2 GLN 22 -3.139 -4.357 -8.281 11 H THR 23 H THR 23 -6.263 -3.587 -4.982 12 HA THR 23 HA THR 23 -7.761 -3.270 -2.710 13 HB THR 23 HB THR 23 -5.501 -5.271 -3.011 14 HG1 THR 23 HG1 THR 23 -7.045 -6.484 -4.109 15 1HG2 THR 23 3HG2 THR 23 -8.204 -5.418 -1.594 16 2HG2 THR 23 1HG2 THR 23 -7.080 -6.778 -1.799 17 3HG2 THR 23 2HG2 THR 23 -6.609 -5.400 -0.801 18 H CYS 24 H CYS 24 -7.581 -2.679 -0.663 19 HA CYS 24 HA CYS 24 -5.625 -0.997 0.352 20 1HB CYS 24 1HB CYS 24 -8.016 -1.455 1.111 21 2HB CYS 24 2HB CYS 24 -7.400 -2.876 1.948 22 H TYR 25 H TYR 25 -3.976 -1.169 1.901 23 HA TYR 25 HA TYR 25 -2.460 -3.620 2.192 24 1HB TYR 25 1HB TYR 25 -0.969 -2.420 3.421 25 2HB TYR 25 2HB TYR 25 -1.603 -1.183 2.363 26 HD1 TYR 25 HD1 TYR 25 -0.511 -1.748 5.573 27 HD2 TYR 25 HD2 TYR 25 -3.919 -0.019 3.565 28 HE1 TYR 25 HE1 TYR 25 -0.998 -0.364 7.579 29 HE2 TYR 25 HE2 TYR 25 -4.429 1.311 5.592 30 HH TYR 25 HH TYR 25 -2.421 1.158 8.541 31 H ASN 26 H ASN 26 -5.288 -2.511 3.757 32 HA ASN 26 HA ASN 26 -4.920 -4.371 6.093 33 1HB ASN 26 1HB ASN 26 -4.410 -2.092 6.760 34 2HB ASN 26 2HB ASN 26 -5.853 -1.465 5.970 35 1HD2 ASN 26 2HD2 ASN 26 -7.901 -1.648 7.031 36 2HD2 ASN 26 1HD2 ASN 26 -7.985 -2.194 8.698 37 H CYS 27 H CYS 27 -7.378 -2.473 4.269 38 HA CYS 27 HA CYS 27 -9.556 -3.747 5.605 39 1HB CYS 27 1HB CYS 27 -9.542 -1.947 3.148 40 2HB CYS 27 2HB CYS 27 -10.897 -2.235 4.246 41 H GLY 28 H GLY 28 -7.867 -4.679 2.736 42 1HA GLY 28 2HA GLY 28 -9.494 -6.974 2.209 43 2HA GLY 28 1HA GLY 28 -8.168 -6.372 1.217 44 H LYS 29 H LYS 29 -10.171 -3.776 1.256 45 HA LYS 29 HA LYS 29 -12.168 -4.620 -0.765 46 1HB LYS 29 1HB LYS 29 -11.605 -2.132 0.824 47 2HB LYS 29 2HB LYS 29 -12.436 -1.964 -0.713 48 1HG LYS 29 1HG LYS 29 -14.048 -2.020 0.994 49 2HG LYS 29 2HG LYS 29 -14.230 -3.477 0.029 50 1HD LYS 29 1HD LYS 29 -12.643 -3.505 2.623 51 2HD LYS 29 2HD LYS 29 -14.407 -3.555 2.646 52 1HE LYS 29 1HE LYS 29 -14.461 -5.583 1.300 53 2HE LYS 29 2HE LYS 29 -12.705 -5.558 1.112 54 1HZ LYS 29 2HZ LYS 29 -14.116 -5.864 3.706 55 2HZ LYS 29 3HZ LYS 29 -13.367 -7.067 2.891 56 3HZ LYS 29 1HZ LYS 29 -12.488 -5.829 3.509 57 HA PRO 30 HA PRO 30 -9.275 -3.801 -4.190 58 1HB PRO 30 2HB PRO 30 -11.915 -3.717 -5.647 59 2HB PRO 30 1HB PRO 30 -10.376 -4.493 -6.136 60 1HG PRO 30 1HG PRO 30 -12.366 -5.989 -5.087 61 2HG PRO 30 2HG PRO 30 -10.674 -6.250 -4.540 62 1HD PRO 30 1HD PRO 30 -12.876 -4.690 -3.168 63 2HD PRO 30 2HD PRO 30 -11.701 -5.854 -2.480 64 H GLY 31 H GLY 31 -12.152 -1.817 -3.558 65 1HA GLY 31 2HA GLY 31 -12.763 0.329 -4.109 66 2HA GLY 31 1HA GLY 31 -11.507 0.341 -5.346 67 H HIS 32 H HIS 32 -9.287 -0.113 -3.472 68 HA HIS 32 HA HIS 32 -9.305 2.361 -1.826 69 1HB HIS 32 1HB HIS 32 -7.874 -0.254 -1.640 70 2HB HIS 32 2HB HIS 32 -7.023 1.182 -1.079 71 HD1 HIS 32 HD1 HIS 32 -10.457 -0.511 -0.449 72 HD2 HIS 32 HD2 HIS 32 -7.552 1.936 1.321 73 HE1 HIS 32 HE1 HIS 32 -11.224 -0.115 1.973 74 H LEU 33 H LEU 33 -7.494 3.639 -1.683 75 HA LEU 33 HA LEU 33 -5.736 4.138 -3.977 76 1HB LEU 33 1HB LEU 33 -8.034 5.976 -3.111 77 2HB LEU 33 2HB LEU 33 -6.717 6.493 -4.150 78 HG LEU 33 HG LEU 33 -8.760 4.359 -4.891 79 1HD1 LEU 33 1HD1 LEU 33 -9.738 6.603 -4.722 80 2HD1 LEU 33 2HD1 LEU 33 -8.468 7.252 -5.784 81 3HD1 LEU 33 3HD1 LEU 33 -9.642 6.070 -6.407 82 1HD2 LEU 33 2HD2 LEU 33 -6.590 5.740 -6.542 83 2HD2 LEU 33 3HD2 LEU 33 -6.602 4.026 -6.069 84 3HD2 LEU 33 1HD2 LEU 33 -7.832 4.639 -7.176 85 H SER 34 H SER 34 -4.411 6.124 -3.456 86 HA SER 34 HA SER 34 -3.217 6.231 -0.933 87 1HB SER 34 1HB SER 34 -3.452 8.421 -3.036 88 2HB SER 34 2HB SER 34 -2.238 8.356 -1.745 89 HG SER 34 HG SER 34 -1.551 7.498 -3.835 90 H SER 35 H SER 35 -6.283 7.598 -1.716 91 HA SER 35 HA SER 35 -6.307 9.348 0.701 92 1HB SER 35 1HB SER 35 -8.275 10.388 -0.399 93 2HB SER 35 2HB SER 35 -6.795 10.506 -1.368 94 HG SER 35 HG SER 35 -8.622 9.829 -2.613 95 H GLN 36 H GLN 36 -7.345 6.271 -0.303 96 HA GLN 36 HA GLN 36 -9.820 6.230 1.330 97 1HB GLN 36 1HB GLN 36 -9.400 5.022 -0.966 98 2HB GLN 36 2HB GLN 36 -8.486 3.866 -0.006 99 1HG GLN 36 1HG GLN 36 -10.612 2.895 -0.098 100 2HG GLN 36 2HG GLN 36 -10.673 3.707 1.458 101 1HE2 GLN 36 2HE2 GLN 36 -11.952 3.592 -1.847 102 2HE2 GLN 36 1HE2 GLN 36 -13.163 4.841 -1.587 103 H CYS 37 H CYS 37 -6.528 4.901 1.300 104 HA CYS 37 HA CYS 37 -6.364 4.901 4.223 105 1HB CYS 37 1HB CYS 37 -5.956 2.395 2.534 106 2HB CYS 37 2HB CYS 37 -5.063 2.634 4.010 107 H ARG 38 H ARG 38 -3.999 4.386 4.801 108 HA ARG 38 HA ARG 38 -2.210 6.255 3.636 109 1HB ARG 38 1HB ARG 38 -1.733 3.814 5.390 110 2HB ARG 38 2HB ARG 38 -0.472 4.973 4.977 111 1HG ARG 38 1HG ARG 38 -1.136 6.472 6.482 112 2HG ARG 38 2HG ARG 38 -2.815 6.408 5.978 113 1HD ARG 38 1HD ARG 38 -1.476 4.399 7.839 114 2HD ARG 38 2HD ARG 38 -2.432 5.772 8.381 115 HE ARG 38 HE ARG 38 -3.407 3.225 7.443 116 1HH1 ARG 38 2HH1 ARG 38 -4.394 6.591 7.670 117 2HH1 ARG 38 1HH1 ARG 38 -6.083 6.187 7.561 118 1HH2 ARG 38 1HH2 ARG 38 -5.563 2.804 7.266 119 2HH2 ARG 38 2HH2 ARG 38 -6.717 4.100 7.272 120 H ALA 39 H ALA 39 -2.612 2.820 2.775 121 HA ALA 39 HA ALA 39 -1.414 3.385 0.202 122 1HB ALA 39 2HB ALA 39 0.645 2.941 1.527 123 2HB ALA 39 3HB ALA 39 -0.046 1.387 2.063 124 3HB ALA 39 1HB ALA 39 0.372 1.638 0.364 125 HA PRO 40 HA PRO 40 -3.662 -0.527 -0.773 126 1HB PRO 40 2HB PRO 40 -2.553 -1.165 -3.169 127 2HB PRO 40 1HB PRO 40 -3.687 0.207 -2.987 128 1HG PRO 40 1HG PRO 40 -0.654 0.284 -3.036 129 2HG PRO 40 2HG PRO 40 -1.799 1.299 -3.967 130 1HD PRO 40 1HD PRO 40 -0.647 2.115 -1.617 131 2HD PRO 40 2HD PRO 40 -2.293 2.619 -2.092 132 H LYS 41 H LYS 41 -2.931 -2.817 -1.332 133 HA LYS 41 HA LYS 41 -1.139 -3.872 0.541 134 1HB LYS 41 1HB LYS 41 -3.022 -4.845 -1.321 135 2HB LYS 41 2HB LYS 41 -1.535 -5.636 -1.791 136 1HG LYS 41 1HG LYS 41 -2.806 -5.676 0.984 137 2HG LYS 41 2HG LYS 41 -2.902 -6.953 -0.227 138 1HD LYS 41 1HD LYS 41 -0.408 -7.231 -0.076 139 2HD LYS 41 2HD LYS 41 -0.395 -6.035 1.244 140 1HE LYS 41 1HE LYS 41 -1.983 -7.444 2.535 141 2HE LYS 41 2HE LYS 41 -1.979 -8.641 1.233 142 1HZ LYS 41 3HZ LYS 41 0.408 -8.966 1.630 143 2HZ LYS 41 1HZ LYS 41 0.398 -7.867 2.845 144 3HZ LYS 41 2HZ LYS 41 -0.434 -9.260 2.993 145 H VAL 42 H VAL 42 -0.140 -2.402 -2.304 146 HA VAL 42 HA VAL 42 2.384 -3.646 -2.850 147 HB VAL 42 HB VAL 42 1.553 -0.715 -2.985 148 1HG1 VAL 42 2HG1 VAL 42 3.835 -2.179 -4.366 149 2HG1 VAL 42 3HG1 VAL 42 3.314 -0.519 -4.731 150 3HG1 VAL 42 1HG1 VAL 42 3.987 -0.893 -3.145 151 1HG2 VAL 42 2HG2 VAL 42 1.479 -2.892 -5.123 152 2HG2 VAL 42 3HG2 VAL 42 0.066 -2.110 -4.380 153 3HG2 VAL 42 1HG2 VAL 42 1.152 -1.167 -5.397 154 H CYS 43 H CYS 43 1.341 -1.432 -0.266 155 HA CYS 43 HA CYS 43 3.971 -1.585 1.100 156 1HB CYS 43 1HB CYS 43 3.959 0.232 -0.656 157 2HB CYS 43 2HB CYS 43 2.650 1.023 0.228 158 H PHE 44 H PHE 44 3.294 0.628 2.749 159 HA PHE 44 HA PHE 44 0.695 0.086 4.056 160 1HB PHE 44 1HB PHE 44 1.540 -0.114 6.230 161 2HB PHE 44 2HB PHE 44 2.534 -1.199 5.275 162 HD1 PHE 44 HD1 PHE 44 2.465 1.707 7.456 163 HD2 PHE 44 HD2 PHE 44 4.908 -0.413 4.597 164 HE1 PHE 44 HE1 PHE 44 4.471 2.924 8.266 165 HE2 PHE 44 HE2 PHE 44 6.909 0.812 5.412 166 HZ PHE 44 HZ PHE 44 6.696 2.483 7.239 167 H LYS 45 H LYS 45 3.268 2.326 3.221 168 HA LYS 45 HA LYS 45 1.494 4.618 3.709 169 1HB LYS 45 1HB LYS 45 2.552 4.175 5.936 170 2HB LYS 45 2HB LYS 45 4.146 4.397 5.210 171 1HG LYS 45 1HG LYS 45 3.546 6.752 4.650 172 2HG LYS 45 2HG LYS 45 1.928 6.496 5.336 173 1HD LYS 45 1HD LYS 45 2.958 6.007 7.550 174 2HD LYS 45 2HD LYS 45 4.571 6.269 6.852 175 1HE LYS 45 1HE LYS 45 3.925 8.603 6.265 176 2HE LYS 45 2HE LYS 45 2.328 8.338 6.977 177 1HZ LYS 45 1HZ LYS 45 3.425 7.962 9.127 178 2HZ LYS 45 2HZ LYS 45 4.899 8.213 8.465 179 3HZ LYS 45 3HZ LYS 45 3.821 9.434 8.546 180 H CYS 46 H CYS 46 4.976 3.881 3.018 181 HA CYS 46 HA CYS 46 5.335 6.331 1.633 182 1HB CYS 46 1HB CYS 46 7.585 5.078 1.035 183 2HB CYS 46 2HB CYS 46 7.231 5.698 2.643 184 H LYS 47 H LYS 47 4.609 3.131 0.370 185 HA LYS 47 HA LYS 47 4.161 2.346 -1.741 186 1HB LYS 47 1HB LYS 47 2.093 3.315 -2.536 187 2HB LYS 47 2HB LYS 47 2.144 3.200 -0.783 188 1HG LYS 47 1HG LYS 47 2.699 5.625 -0.642 189 2HG LYS 47 2HG LYS 47 2.578 5.754 -2.397 190 1HD LYS 47 1HD LYS 47 0.232 5.233 -2.350 191 2HD LYS 47 2HD LYS 47 0.289 4.738 -0.652 192 1HE LYS 47 1HE LYS 47 0.972 7.558 -1.579 193 2HE LYS 47 2HE LYS 47 -0.666 7.059 -1.143 194 1HZ LYS 47 2HZ LYS 47 1.639 6.845 0.727 195 2HZ LYS 47 3HZ LYS 47 0.527 8.057 0.752 196 3HZ LYS 47 1HZ LYS 47 0.094 6.504 1.065 197 H GLN 48 H GLN 48 6.571 4.053 -2.069 198 HA GLN 48 HA GLN 48 6.372 5.394 -4.585 199 1HB GLN 48 1HB GLN 48 8.814 4.186 -3.221 200 2HB GLN 48 2HB GLN 48 8.865 5.303 -4.576 201 1HG GLN 48 1HG GLN 48 7.847 5.902 -1.770 202 2HG GLN 48 2HG GLN 48 9.326 6.485 -2.511 203 1HE2 GLN 48 2HE2 GLN 48 5.986 7.177 -2.030 204 2HE2 GLN 48 1HE2 GLN 48 5.910 8.555 -3.133 205 HA PRO 49 HA PRO 49 5.955 2.558 -7.709 206 1HB PRO 49 2HB PRO 49 8.486 3.556 -9.034 207 2HB PRO 49 1HB PRO 49 6.879 3.249 -9.768 208 1HG PRO 49 1HG PRO 49 7.573 5.762 -9.084 209 2HG PRO 49 2HG PRO 49 5.935 5.155 -8.672 210 1HD PRO 49 1HD PRO 49 8.355 5.415 -6.888 211 2HD PRO 49 2HD PRO 49 6.642 5.802 -6.558 212 H GLY 50 H GLY 50 9.155 2.100 -6.309 213 1HA GLY 50 2HA GLY 50 10.383 0.066 -7.543 214 2HA GLY 50 1HA GLY 50 8.969 -0.803 -6.948 215 H HIS 51 H HIS 51 9.668 1.482 -4.603 216 HA HIS 51 HA HIS 51 11.976 0.490 -3.313 217 1HB HIS 51 1HB HIS 51 11.397 1.927 -1.564 218 2HB HIS 51 2HB HIS 51 10.682 2.705 -2.968 219 HD1 HIS 51 HD1 HIS 51 7.800 1.774 -3.186 220 HD2 HIS 51 HD2 HIS 51 9.897 1.604 0.469 221 HE1 HIS 51 HE1 HIS 51 6.084 1.278 -1.382 222 H PHE 52 H PHE 52 8.693 -0.725 -3.196 223 HA PHE 52 HA PHE 52 8.611 -1.782 -0.611 224 1HB PHE 52 1HB PHE 52 6.720 -3.198 -1.569 225 2HB PHE 52 2HB PHE 52 6.585 -1.458 -1.682 226 HD1 PHE 52 HD1 PHE 52 6.538 -0.301 -3.810 227 HD2 PHE 52 HD2 PHE 52 7.154 -4.570 -3.647 228 HE1 PHE 52 HE1 PHE 52 6.149 -0.451 -6.246 229 HE2 PHE 52 HE2 PHE 52 6.786 -4.708 -6.095 230 HZ PHE 52 HZ PHE 52 6.288 -2.650 -7.404 231 H SER 53 H SER 53 9.591 -3.479 -3.610 232 HA SER 53 HA SER 53 10.090 -6.028 -2.502 233 1HB SER 53 1HB SER 53 11.507 -4.648 -4.815 234 2HB SER 53 2HB SER 53 11.468 -6.395 -4.500 235 HG SER 53 HG SER 53 9.888 -5.764 -6.039 236 H LYS 54 H LYS 54 11.748 -3.215 -1.679 237 HA LYS 54 HA LYS 54 14.186 -4.684 -0.741 238 1HB LYS 54 1HB LYS 54 14.011 -1.813 -1.747 239 2HB LYS 54 2HB LYS 54 15.470 -2.650 -1.239 240 1HG LYS 54 1HG LYS 54 13.800 -3.346 -3.695 241 2HG LYS 54 2HG LYS 54 15.294 -2.419 -3.685 242 1HD LYS 54 1HD LYS 54 16.570 -4.345 -2.883 243 2HD LYS 54 2HD LYS 54 15.092 -5.316 -2.749 244 1HE LYS 54 1HE LYS 54 14.688 -5.024 -5.191 245 2HE LYS 54 2HE LYS 54 16.200 -4.115 -5.322 246 1HZ LYS 54 2HZ LYS 54 15.985 -6.949 -4.444 247 2HZ LYS 54 3HZ LYS 54 16.510 -6.455 -5.907 248 3HZ LYS 54 1HZ LYS 54 17.384 -6.114 -4.572 249 H GLN 55 H GLN 55 11.441 -3.324 0.456 250 HA GLN 55 HA GLN 55 12.726 -2.686 3.040 251 1HB GLN 55 1HB GLN 55 12.782 -0.556 1.711 252 2HB GLN 55 2HB GLN 55 11.023 -0.616 1.583 253 1HG GLN 55 1HG GLN 55 10.907 -0.548 4.118 254 2HG GLN 55 2HG GLN 55 12.664 -0.380 4.149 255 1HE2 GLN 55 1HE2 GLN 55 9.603 1.211 3.382 256 2HE2 GLN 55 2HE2 GLN 55 10.282 2.828 3.225 257 H CYS 56 H CYS 56 9.533 -2.362 1.395 258 HA CYS 56 HA CYS 56 8.197 -2.883 3.956 259 1HB CYS 56 1HB CYS 56 7.156 -1.860 1.283 260 2HB CYS 56 2HB CYS 56 6.256 -1.906 2.805 261 H ARG 57 H ARG 57 8.708 -4.598 1.012 262 HA ARG 57 HA ARG 57 6.890 -6.817 1.833 263 1HB ARG 57 1HB ARG 57 6.265 -4.995 -0.208 264 2HB ARG 57 2HB ARG 57 7.077 -6.262 -1.096 265 1HG ARG 57 1HG ARG 57 5.026 -7.215 -1.175 266 2HG ARG 57 2HG ARG 57 5.363 -7.774 0.458 267 1HD ARG 57 1HD ARG 57 3.787 -5.316 -0.406 268 2HD ARG 57 2HD ARG 57 3.155 -6.764 0.387 269 HE ARG 57 HE ARG 57 5.135 -5.558 2.078 270 1HH1 ARG 57 2HH1 ARG 57 1.926 -4.741 0.940 271 2HH1 ARG 57 1HH1 ARG 57 1.698 -3.592 2.235 272 1HH2 ARG 57 2HH2 ARG 57 4.724 -4.225 3.707 273 2HH2 ARG 57 1HH2 ARG 57 3.144 -3.477 3.892 274 H SER 58 H SER 58 9.962 -6.060 1.382 275 HA SER 58 HA SER 58 11.177 -8.011 -0.285 276 1HB SER 58 1HB SER 58 13.165 -7.596 1.257 277 2HB SER 58 2HB SER 58 12.496 -6.200 0.408 278 HG SER 58 HG SER 58 11.869 -6.927 3.095 No H/Q in entry = 278 Start of MODEL 14 1 H1 GLN 22 H2 GLN 22 -8.105 -0.040 -7.089 2 H2 GLN 22 H1 GLN 22 -7.258 1.052 -6.207 3 H3 GLN 22 H3 GLN 22 -6.802 0.701 -7.752 4 HA GLN 22 HA GLN 22 -6.220 -1.537 -7.149 5 1HB GLN 22 1HB GLN 22 -4.935 0.471 -5.240 6 2HB GLN 22 2HB GLN 22 -4.293 -1.110 -5.689 7 1HG GLN 22 1HG GLN 22 -4.132 -0.353 -8.073 8 2HG GLN 22 2HG GLN 22 -4.659 1.258 -7.562 9 1HE2 GLN 22 1HE2 GLN 22 -2.752 2.452 -7.939 10 2HE2 GLN 22 2HE2 GLN 22 -1.235 2.057 -7.143 11 H THR 23 H THR 23 -5.265 -2.300 -4.561 12 HA THR 23 HA THR 23 -7.806 -2.801 -3.053 13 HB THR 23 HB THR 23 -5.532 -4.720 -3.687 14 HG1 THR 23 HG1 THR 23 -7.099 -5.748 -4.919 15 1HG2 THR 23 3HG2 THR 23 -8.151 -5.268 -2.223 16 2HG2 THR 23 1HG2 THR 23 -6.949 -6.476 -2.707 17 3HG2 THR 23 2HG2 THR 23 -6.531 -5.277 -1.485 18 H CYS 24 H CYS 24 -7.641 -2.825 -0.819 19 HA CYS 24 HA CYS 24 -5.790 -1.047 0.310 20 1HB CYS 24 1HB CYS 24 -8.166 -1.696 1.031 21 2HB CYS 24 2HB CYS 24 -7.441 -3.100 1.818 22 H TYR 25 H TYR 25 -4.145 -1.219 1.805 23 HA TYR 25 HA TYR 25 -2.506 -3.607 1.958 24 1HB TYR 25 1HB TYR 25 -1.039 -2.387 3.202 25 2HB TYR 25 2HB TYR 25 -1.729 -1.161 2.161 26 HD1 TYR 25 HD1 TYR 25 -0.619 -1.788 5.378 27 HD2 TYR 25 HD2 TYR 25 -4.008 -0.012 3.375 28 HE1 TYR 25 HE1 TYR 25 -1.133 -0.456 7.414 29 HE2 TYR 25 HE2 TYR 25 -4.538 1.274 5.426 30 HH TYR 25 HH TYR 25 -2.572 1.025 8.403 31 H ASN 26 H ASN 26 -5.266 -2.523 3.786 32 HA ASN 26 HA ASN 26 -4.735 -4.571 5.917 33 1HB ASN 26 1HB ASN 26 -3.930 -2.322 6.574 34 2HB ASN 26 2HB ASN 26 -5.536 -1.651 6.285 35 1HD2 ASN 26 1HD2 ASN 26 -3.668 -3.899 8.344 36 2HD2 ASN 26 2HD2 ASN 26 -4.818 -3.857 9.669 37 H CYS 27 H CYS 27 -7.308 -2.510 4.416 38 HA CYS 27 HA CYS 27 -9.479 -3.783 5.771 39 1HB CYS 27 1HB CYS 27 -9.458 -2.325 3.089 40 2HB CYS 27 2HB CYS 27 -10.867 -2.647 4.100 41 H GLY 28 H GLY 28 -7.549 -4.842 3.091 42 1HA GLY 28 2HA GLY 28 -8.960 -7.303 2.586 43 2HA GLY 28 1HA GLY 28 -7.639 -6.620 1.633 44 H LYS 29 H LYS 29 -9.862 -4.205 1.660 45 HA LYS 29 HA LYS 29 -11.813 -5.211 -0.274 46 1HB LYS 29 1HB LYS 29 -11.435 -2.771 1.422 47 2HB LYS 29 2HB LYS 29 -12.191 -2.474 -0.130 48 1HG LYS 29 1HG LYS 29 -13.901 -2.812 1.487 49 2HG LYS 29 2HG LYS 29 -13.930 -4.133 0.316 50 1HD LYS 29 1HD LYS 29 -12.775 -5.609 1.957 51 2HD LYS 29 2HD LYS 29 -12.730 -4.263 3.120 52 1HE LYS 29 1HE LYS 29 -15.200 -4.141 3.088 53 2HE LYS 29 2HE LYS 29 -15.264 -5.443 1.894 54 1HZ LYS 29 3HZ LYS 29 -14.183 -5.720 4.649 55 2HZ LYS 29 1HZ LYS 29 -15.632 -6.279 4.145 56 3HZ LYS 29 2HZ LYS 29 -14.258 -6.924 3.544 57 HA PRO 30 HA PRO 30 -9.821 -3.285 -3.936 58 1HB PRO 30 2HB PRO 30 -11.905 -3.405 -5.670 59 2HB PRO 30 1HB PRO 30 -11.023 -4.869 -5.155 60 1HG PRO 30 1HG PRO 30 -13.630 -3.786 -4.039 61 2HG PRO 30 2HG PRO 30 -13.269 -5.456 -4.589 62 1HD PRO 30 1HD PRO 30 -13.125 -4.676 -1.965 63 2HD PRO 30 2HD PRO 30 -12.043 -5.926 -2.648 64 H GLY 31 H GLY 31 -10.990 -1.427 -5.526 65 1HA GLY 31 2HA GLY 31 -12.766 0.464 -4.333 66 2HA GLY 31 1HA GLY 31 -11.651 0.781 -5.669 67 H HIS 32 H HIS 32 -9.273 0.089 -4.070 68 HA HIS 32 HA HIS 32 -9.182 2.288 -2.056 69 1HB HIS 32 1HB HIS 32 -8.143 -0.512 -2.119 70 2HB HIS 32 2HB HIS 32 -7.106 0.700 -1.379 71 HD1 HIS 32 HD1 HIS 32 -10.757 -0.581 -0.945 72 HD2 HIS 32 HD2 HIS 32 -7.629 1.420 1.034 73 HE1 HIS 32 HE1 HIS 32 -11.493 -0.310 1.496 74 H LEU 33 H LEU 33 -7.455 3.537 -1.831 75 HA LEU 33 HA LEU 33 -5.347 3.875 -3.845 76 1HB LEU 33 1HB LEU 33 -7.707 5.788 -3.433 77 2HB LEU 33 2HB LEU 33 -6.239 6.235 -4.289 78 HG LEU 33 HG LEU 33 -8.206 4.106 -5.221 79 1HD1 LEU 33 1HD1 LEU 33 -9.124 6.379 -5.309 80 2HD1 LEU 33 2HD1 LEU 33 -7.693 6.937 -6.202 81 3HD1 LEU 33 3HD1 LEU 33 -8.800 5.752 -6.934 82 1HD2 LEU 33 3HD2 LEU 33 -5.772 5.343 -6.595 83 2HD2 LEU 33 1HD2 LEU 33 -5.900 3.662 -6.035 84 3HD2 LEU 33 2HD2 LEU 33 -6.938 4.235 -7.348 85 H SER 34 H SER 34 -4.103 5.924 -3.243 86 HA SER 34 HA SER 34 -3.369 6.274 -0.557 87 1HB SER 34 1HB SER 34 -3.344 8.349 -2.780 88 2HB SER 34 2HB SER 34 -2.307 8.328 -1.341 89 HG SER 34 HG SER 34 -1.382 7.446 -3.355 90 H SER 35 H SER 35 -6.215 7.535 -2.152 91 HA SER 35 HA SER 35 -6.821 9.534 -0.066 92 1HB SER 35 1HB SER 35 -8.782 9.985 -1.543 93 2HB SER 35 2HB SER 35 -7.221 10.153 -2.364 94 HG SER 35 HG SER 35 -8.762 8.948 -3.597 95 H GLN 36 H GLN 36 -7.260 6.207 -0.354 96 HA GLN 36 HA GLN 36 -9.868 6.181 1.114 97 1HB GLN 36 1HB GLN 36 -9.472 4.925 -1.140 98 2HB GLN 36 2HB GLN 36 -8.479 3.824 -0.187 99 1HG GLN 36 1HG GLN 36 -10.578 2.786 -0.268 100 2HG GLN 36 2HG GLN 36 -10.567 3.521 1.328 101 1HE2 GLN 36 2HE2 GLN 36 -12.035 3.524 -1.894 102 2HE2 GLN 36 1HE2 GLN 36 -13.290 4.697 -1.497 103 H CYS 37 H CYS 37 -6.549 4.889 1.138 104 HA CYS 37 HA CYS 37 -6.498 4.739 4.086 105 1HB CYS 37 1HB CYS 37 -6.056 2.406 2.181 106 2HB CYS 37 2HB CYS 37 -5.204 2.478 3.710 107 H ARG 38 H ARG 38 -4.194 4.288 4.793 108 HA ARG 38 HA ARG 38 -2.389 6.257 3.849 109 1HB ARG 38 1HB ARG 38 -1.947 3.747 5.517 110 2HB ARG 38 2HB ARG 38 -0.691 4.946 5.233 111 1HG ARG 38 1HG ARG 38 -1.483 6.369 6.753 112 2HG ARG 38 2HG ARG 38 -3.124 6.295 6.136 113 1HD ARG 38 1HD ARG 38 -1.874 4.233 7.999 114 2HD ARG 38 2HD ARG 38 -2.884 5.572 8.534 115 HE ARG 38 HE ARG 38 -3.754 3.058 7.412 116 1HH1 ARG 38 1HH1 ARG 38 -4.808 6.389 7.777 117 2HH1 ARG 38 2HH1 ARG 38 -6.481 5.972 7.542 118 1HH2 ARG 38 1HH2 ARG 38 -5.896 2.619 7.079 119 2HH2 ARG 38 2HH2 ARG 38 -7.066 3.899 7.102 120 H ALA 39 H ALA 39 -2.635 2.895 2.789 121 HA ALA 39 HA ALA 39 -1.387 3.659 0.305 122 1HB ALA 39 2HB ALA 39 -0.048 1.513 2.017 123 2HB ALA 39 3HB ALA 39 0.393 1.899 0.350 124 3HB ALA 39 1HB ALA 39 0.658 3.103 1.623 125 HA PRO 40 HA PRO 40 -3.701 -0.131 -0.942 126 1HB PRO 40 2HB PRO 40 -2.634 -0.614 -3.390 127 2HB PRO 40 1HB PRO 40 -3.725 0.772 -3.093 128 1HG PRO 40 1HG PRO 40 -0.690 0.781 -3.161 129 2HG PRO 40 2HG PRO 40 -1.818 1.887 -4.008 130 1HD PRO 40 1HD PRO 40 -0.636 2.501 -1.610 131 2HD PRO 40 2HD PRO 40 -2.270 3.081 -2.043 132 H LYS 41 H LYS 41 -3.006 -2.378 -1.651 133 HA LYS 41 HA LYS 41 -1.316 -3.569 0.200 134 1HB LYS 41 1HB LYS 41 -3.243 -4.546 -1.144 135 2HB LYS 41 2HB LYS 41 -2.139 -4.728 -2.495 136 1HG LYS 41 1HG LYS 41 -2.508 -6.827 -1.301 137 2HG LYS 41 2HG LYS 41 -0.812 -6.368 -1.227 138 1HD LYS 41 1HD LYS 41 -1.091 -5.585 1.099 139 2HD LYS 41 2HD LYS 41 -2.842 -5.897 1.007 140 1HE LYS 41 1HE LYS 41 -2.380 -8.304 0.631 141 2HE LYS 41 2HE LYS 41 -0.643 -7.993 0.720 142 1HZ LYS 41 2HZ LYS 41 -2.569 -7.520 2.939 143 2HZ LYS 41 3HZ LYS 41 -1.526 -8.771 2.851 144 3HZ LYS 41 1HZ LYS 41 -0.959 -7.251 3.023 145 H VAL 42 H VAL 42 -0.164 -2.025 -2.564 146 HA VAL 42 HA VAL 42 2.348 -3.289 -3.057 147 HB VAL 42 HB VAL 42 1.620 -0.328 -3.075 148 1HG1 VAL 42 1HG1 VAL 42 3.861 -1.825 -4.489 149 2HG1 VAL 42 2HG1 VAL 42 3.427 -0.126 -4.773 150 3HG1 VAL 42 3HG1 VAL 42 4.056 -0.614 -3.202 151 1HG2 VAL 42 2HG2 VAL 42 1.496 -2.405 -5.308 152 2HG2 VAL 42 3HG2 VAL 42 0.107 -1.581 -4.566 153 3HG2 VAL 42 1HG2 VAL 42 1.260 -0.657 -5.518 154 H CYS 43 H CYS 43 1.291 -1.170 -0.396 155 HA CYS 43 HA CYS 43 3.870 -1.483 1.040 156 1HB CYS 43 1HB CYS 43 3.993 0.403 -0.639 157 2HB CYS 43 2HB CYS 43 2.696 1.217 0.246 158 H PHE 44 H PHE 44 3.274 0.657 2.782 159 HA PHE 44 HA PHE 44 0.594 0.235 3.968 160 1HB PHE 44 1HB PHE 44 1.348 -0.144 6.154 161 2HB PHE 44 2HB PHE 44 2.278 -1.251 5.165 162 HD1 PHE 44 HD1 PHE 44 2.380 1.504 7.524 163 HD2 PHE 44 HD2 PHE 44 4.729 -0.617 4.591 164 HE1 PHE 44 HE1 PHE 44 4.452 2.486 8.473 165 HE2 PHE 44 HE2 PHE 44 6.798 0.368 5.547 166 HZ PHE 44 HZ PHE 44 6.665 1.924 7.481 167 H LYS 45 H LYS 45 3.282 2.340 3.253 168 HA LYS 45 HA LYS 45 1.735 4.719 4.053 169 1HB LYS 45 1HB LYS 45 2.853 4.044 6.150 170 2HB LYS 45 2HB LYS 45 4.410 3.995 5.338 171 1HG LYS 45 1HG LYS 45 4.240 5.980 6.684 172 2HG LYS 45 2HG LYS 45 4.315 6.453 4.989 173 1HD LYS 45 1HD LYS 45 1.869 6.858 4.974 174 2HD LYS 45 2HD LYS 45 1.757 6.280 6.655 175 1HE LYS 45 1HE LYS 45 3.323 8.094 7.357 176 2HE LYS 45 2HE LYS 45 3.387 8.677 5.690 177 1HZ LYS 45 2HZ LYS 45 0.991 9.128 5.828 178 2HZ LYS 45 3HZ LYS 45 0.938 8.589 7.374 179 3HZ LYS 45 1HZ LYS 45 1.783 9.932 7.004 180 H CYS 46 H CYS 46 5.132 3.857 3.126 181 HA CYS 46 HA CYS 46 5.473 6.395 1.853 182 1HB CYS 46 1HB CYS 46 7.763 5.361 1.328 183 2HB CYS 46 2HB CYS 46 7.299 5.612 3.009 184 H LYS 47 H LYS 47 4.756 3.232 0.521 185 HA LYS 47 HA LYS 47 4.306 2.500 -1.613 186 1HB LYS 47 1HB LYS 47 2.255 3.544 -2.391 187 2HB LYS 47 2HB LYS 47 2.298 3.330 -0.648 188 1HG LYS 47 1HG LYS 47 2.870 5.732 -0.358 189 2HG LYS 47 2HG LYS 47 2.771 5.967 -2.105 190 1HD LYS 47 1HD LYS 47 0.419 5.450 -2.109 191 2HD LYS 47 2HD LYS 47 0.459 4.874 -0.436 192 1HE LYS 47 1HE LYS 47 1.176 7.731 -1.210 193 2HE LYS 47 2HE LYS 47 -0.477 7.230 -0.840 194 1HZ LYS 47 3HZ LYS 47 1.777 6.897 1.074 195 2HZ LYS 47 1HZ LYS 47 0.682 8.121 1.125 196 3HZ LYS 47 2HZ LYS 47 0.213 6.565 1.359 197 H GLN 48 H GLN 48 6.750 4.087 -1.902 198 HA GLN 48 HA GLN 48 6.604 5.545 -4.363 199 1HB GLN 48 1HB GLN 48 8.985 4.181 -3.033 200 2HB GLN 48 2HB GLN 48 9.096 5.330 -4.361 201 1HG GLN 48 1HG GLN 48 8.086 5.905 -1.546 202 2HG GLN 48 2HG GLN 48 9.598 6.436 -2.259 203 1HE2 GLN 48 2HE2 GLN 48 6.286 7.270 -1.793 204 2HE2 GLN 48 1HE2 GLN 48 6.287 8.679 -2.859 205 HA PRO 49 HA PRO 49 6.038 2.853 -7.583 206 1HB PRO 49 2HB PRO 49 8.612 3.770 -8.882 207 2HB PRO 49 1HB PRO 49 6.991 3.568 -9.622 208 1HG PRO 49 1HG PRO 49 7.810 6.019 -8.854 209 2HG PRO 49 2HG PRO 49 6.145 5.480 -8.461 210 1HD PRO 49 1HD PRO 49 8.570 5.566 -6.670 211 2HD PRO 49 2HD PRO 49 6.876 6.015 -6.325 212 H GLY 50 H GLY 50 9.270 2.237 -6.282 213 1HA GLY 50 2HA GLY 50 10.357 0.188 -7.617 214 2HA GLY 50 1HA GLY 50 8.955 -0.648 -6.950 215 H HIS 51 H HIS 51 9.604 1.414 -4.517 216 HA HIS 51 HA HIS 51 12.023 0.418 -3.351 217 1HB HIS 51 1HB HIS 51 11.454 1.742 -1.507 218 2HB HIS 51 2HB HIS 51 10.744 2.604 -2.861 219 HD1 HIS 51 HD1 HIS 51 7.849 1.812 -3.119 220 HD2 HIS 51 HD2 HIS 51 9.945 1.225 0.494 221 HE1 HIS 51 HE1 HIS 51 6.118 1.229 -1.361 222 H PHE 52 H PHE 52 8.732 -0.770 -3.245 223 HA PHE 52 HA PHE 52 8.644 -1.805 -0.678 224 1HB PHE 52 1HB PHE 52 6.662 -3.103 -1.537 225 2HB PHE 52 2HB PHE 52 6.638 -1.376 -1.790 226 HD1 PHE 52 HD1 PHE 52 6.713 -0.387 -4.026 227 HD2 PHE 52 HD2 PHE 52 6.919 -4.665 -3.476 228 HE1 PHE 52 HE1 PHE 52 6.286 -0.723 -6.440 229 HE2 PHE 52 HE2 PHE 52 6.501 -4.989 -5.898 230 HZ PHE 52 HZ PHE 52 6.189 -3.019 -7.387 231 H SER 53 H SER 53 9.540 -3.635 -3.630 232 HA SER 53 HA SER 53 9.853 -6.172 -2.426 233 1HB SER 53 1HB SER 53 11.379 -5.008 -4.786 234 2HB SER 53 2HB SER 53 11.183 -6.731 -4.404 235 HG SER 53 HG SER 53 9.667 -6.019 -5.973 236 H LYS 54 H LYS 54 11.702 -3.465 -1.671 237 HA LYS 54 HA LYS 54 13.935 -5.122 -0.574 238 1HB LYS 54 1HB LYS 54 14.190 -2.339 -1.802 239 2HB LYS 54 2HB LYS 54 15.470 -3.266 -1.034 240 1HG LYS 54 1HG LYS 54 16.007 -3.854 -3.130 241 2HG LYS 54 2HG LYS 54 14.807 -5.104 -2.863 242 1HD LYS 54 1HD LYS 54 14.370 -4.206 -5.013 243 2HD LYS 54 2HD LYS 54 13.101 -3.520 -3.988 244 1HE LYS 54 1HE LYS 54 14.387 -1.413 -3.780 245 2HE LYS 54 2HE LYS 54 15.709 -2.117 -4.722 246 1HZ LYS 54 3HZ LYS 54 14.161 -2.305 -6.608 247 2HZ LYS 54 1HZ LYS 54 12.958 -1.611 -5.735 248 3HZ LYS 54 2HZ LYS 54 14.293 -0.753 -6.125 249 H GLN 55 H GLN 55 11.304 -3.628 0.477 250 HA GLN 55 HA GLN 55 12.535 -3.051 3.075 251 1HB GLN 55 1HB GLN 55 12.716 -0.874 1.847 252 2HB GLN 55 2HB GLN 55 10.962 -0.851 1.664 253 1HG GLN 55 1HG GLN 55 10.761 -0.884 4.188 254 2HG GLN 55 2HG GLN 55 12.522 -0.823 4.292 255 1HE2 GLN 55 1HE2 GLN 55 9.595 0.988 3.492 256 2HE2 GLN 55 2HE2 GLN 55 10.379 2.565 3.424 257 H CYS 56 H CYS 56 9.389 -2.375 1.453 258 HA CYS 56 HA CYS 56 8.006 -3.025 3.930 259 1HB CYS 56 1HB CYS 56 7.045 -1.859 1.284 260 2HB CYS 56 2HB CYS 56 6.112 -1.932 2.787 261 H ARG 57 H ARG 57 8.543 -4.720 0.991 262 HA ARG 57 HA ARG 57 6.512 -6.801 1.643 263 1HB ARG 57 1HB ARG 57 6.013 -4.833 -0.242 264 2HB ARG 57 2HB ARG 57 6.817 -6.020 -1.241 265 1HG ARG 57 1HG ARG 57 4.750 -6.925 -1.460 266 2HG ARG 57 2HG ARG 57 5.013 -7.626 0.132 267 1HD ARG 57 1HD ARG 57 3.522 -5.077 -0.594 268 2HD ARG 57 2HD ARG 57 2.844 -6.554 0.104 269 HE ARG 57 HE ARG 57 4.822 -5.490 1.893 270 1HH1 ARG 57 1HH2 ARG 57 1.664 -4.530 0.747 271 2HH1 ARG 57 2HH2 ARG 57 1.451 -3.416 2.075 272 1HH2 ARG 57 2HH1 ARG 57 4.433 -4.213 3.567 273 2HH2 ARG 57 1HH1 ARG 57 2.873 -3.431 3.773 274 H SER 58 H SER 58 9.569 -6.480 1.583 275 HA SER 58 HA SER 58 10.934 -7.969 -0.276 276 1HB SER 58 1HB SER 58 11.405 -8.038 2.722 277 2HB SER 58 2HB SER 58 12.594 -8.362 1.447 278 HG SER 58 HG SER 58 12.692 -6.185 2.266 No H/Q in entry = 278 Start of MODEL 15 1 H1 GLN 22 H1 GLN 22 -8.006 -0.869 -7.451 2 H2 GLN 22 H3 GLN 22 -7.547 0.497 -6.667 3 H3 GLN 22 H2 GLN 22 -6.755 0.023 -8.029 4 HA GLN 22 HA GLN 22 -5.923 -1.941 -6.933 5 1HB GLN 22 1HB GLN 22 -5.221 0.813 -6.192 6 2HB GLN 22 2HB GLN 22 -4.848 -0.284 -4.889 7 1HG GLN 22 1HG GLN 22 -3.938 -0.689 -7.777 8 2HG GLN 22 2HG GLN 22 -2.998 0.142 -6.542 9 1HE2 GLN 22 2HE2 GLN 22 -1.566 -1.813 -7.513 10 2HE2 GLN 22 1HE2 GLN 22 -1.625 -3.245 -6.493 11 H THR 23 H THR 23 -5.293 -2.528 -4.481 12 HA THR 23 HA THR 23 -7.853 -2.963 -2.976 13 HB THR 23 HB THR 23 -5.512 -4.846 -3.471 14 HG1 THR 23 HG1 THR 23 -7.017 -5.975 -4.685 15 1HG2 THR 23 1HG2 THR 23 -8.137 -5.386 -2.012 16 2HG2 THR 23 2HG2 THR 23 -6.913 -6.595 -2.437 17 3HG2 THR 23 3HG2 THR 23 -6.521 -5.337 -1.266 18 H CYS 24 H CYS 24 -7.704 -2.915 -0.709 19 HA CYS 24 HA CYS 24 -5.856 -1.077 0.362 20 1HB CYS 24 1HB CYS 24 -8.232 -1.710 1.113 21 2HB CYS 24 2HB CYS 24 -7.486 -3.069 1.968 22 H TYR 25 H TYR 25 -4.237 -1.217 1.900 23 HA TYR 25 HA TYR 25 -2.591 -3.614 2.121 24 1HB TYR 25 1HB TYR 25 -1.106 -2.338 3.297 25 2HB TYR 25 2HB TYR 25 -1.800 -1.152 2.215 26 HD1 TYR 25 HD1 TYR 25 -0.705 -1.679 5.469 27 HD2 TYR 25 HD2 TYR 25 -4.057 0.060 3.377 28 HE1 TYR 25 HE1 TYR 25 -1.220 -0.271 7.453 29 HE2 TYR 25 HE2 TYR 25 -4.597 1.410 5.378 30 HH TYR 25 HH TYR 25 -2.650 1.270 8.375 31 H ASN 26 H ASN 26 -5.384 -2.476 3.818 32 HA ASN 26 HA ASN 26 -4.869 -4.327 6.128 33 1HB ASN 26 1HB ASN 26 -4.135 -2.057 6.679 34 2HB ASN 26 2HB ASN 26 -5.687 -1.389 6.174 35 1HD2 ASN 26 1HD2 ASN 26 -7.355 -1.320 7.703 36 2HD2 ASN 26 2HD2 ASN 26 -7.202 -2.038 9.299 37 H CYS 27 H CYS 27 -7.428 -2.381 4.456 38 HA CYS 27 HA CYS 27 -9.590 -3.499 5.926 39 1HB CYS 27 1HB CYS 27 -9.578 -2.205 3.164 40 2HB CYS 27 2HB CYS 27 -10.982 -2.425 4.209 41 H GLY 28 H GLY 28 -7.787 -4.855 3.286 42 1HA GLY 28 2HA GLY 28 -9.294 -7.294 3.092 43 2HA GLY 28 1HA GLY 28 -8.031 -6.741 1.986 44 H LYS 29 H LYS 29 -9.611 -4.218 1.427 45 HA LYS 29 HA LYS 29 -11.907 -5.280 -0.161 46 1HB LYS 29 1HB LYS 29 -11.494 -2.828 1.509 47 2HB LYS 29 2HB LYS 29 -12.279 -2.551 -0.033 48 1HG LYS 29 1HG LYS 29 -13.975 -2.853 1.579 49 2HG LYS 29 2HG LYS 29 -14.003 -4.234 0.479 50 1HD LYS 29 1HD LYS 29 -12.817 -5.606 2.182 51 2HD LYS 29 2HD LYS 29 -12.769 -4.195 3.266 52 1HE LYS 29 1HE LYS 29 -15.229 -4.109 3.297 53 2HE LYS 29 2HE LYS 29 -15.313 -5.468 2.169 54 1HZ LYS 29 3HZ LYS 29 -14.132 -5.606 4.894 55 2HZ LYS 29 1HZ LYS 29 -15.600 -6.191 4.477 56 3HZ LYS 29 2HZ LYS 29 -14.250 -6.860 3.852 57 HA PRO 30 HA PRO 30 -9.978 -3.418 -3.873 58 1HB PRO 30 2HB PRO 30 -12.067 -3.582 -5.586 59 2HB PRO 30 1HB PRO 30 -11.232 -5.049 -5.005 60 1HG PRO 30 1HG PRO 30 -13.790 -3.823 -3.919 61 2HG PRO 30 2HG PRO 30 -13.502 -5.524 -4.410 62 1HD PRO 30 1HD PRO 30 -13.291 -4.652 -1.817 63 2HD PRO 30 2HD PRO 30 -12.277 -5.975 -2.465 64 H GLY 31 H GLY 31 -11.238 -1.615 -5.510 65 1HA GLY 31 2HA GLY 31 -12.933 0.332 -4.299 66 2HA GLY 31 1HA GLY 31 -11.873 0.599 -5.690 67 H HIS 32 H HIS 32 -9.437 -0.085 -4.181 68 HA HIS 32 HA HIS 32 -9.216 2.175 -2.247 69 1HB HIS 32 1HB HIS 32 -8.284 -0.667 -2.208 70 2HB HIS 32 2HB HIS 32 -7.190 0.537 -1.546 71 HD1 HIS 32 HD1 HIS 32 -10.851 -0.629 -0.962 72 HD2 HIS 32 HD2 HIS 32 -7.630 1.383 0.853 73 HE1 HIS 32 HE1 HIS 32 -11.517 -0.245 1.484 74 H LEU 33 H LEU 33 -7.333 3.258 -2.069 75 HA LEU 33 HA LEU 33 -5.307 3.367 -4.186 76 1HB LEU 33 1HB LEU 33 -7.419 5.536 -3.686 77 2HB LEU 33 2HB LEU 33 -5.930 5.833 -4.565 78 HG LEU 33 HG LEU 33 -8.121 3.933 -5.485 79 1HD1 LEU 33 1HD1 LEU 33 -8.798 6.294 -5.539 80 2HD1 LEU 33 2HD1 LEU 33 -7.327 6.707 -6.447 81 3HD1 LEU 33 3HD1 LEU 33 -8.561 5.654 -7.173 82 1HD2 LEU 33 2HD2 LEU 33 -5.588 4.924 -6.880 83 2HD2 LEU 33 3HD2 LEU 33 -5.896 3.257 -6.348 84 3HD2 LEU 33 1HD2 LEU 33 -6.879 3.964 -7.634 85 H SER 34 H SER 34 -3.801 5.175 -3.670 86 HA SER 34 HA SER 34 -2.823 5.388 -1.060 87 1HB SER 34 1HB SER 34 -2.562 7.347 -3.373 88 2HB SER 34 2HB SER 34 -1.442 7.178 -2.011 89 HG SER 34 HG SER 34 -0.820 6.028 -3.975 90 H SER 35 H SER 35 -5.686 6.834 -2.081 91 HA SER 35 HA SER 35 -5.644 8.890 0.088 92 1HB SER 35 1HB SER 35 -7.323 10.088 -1.290 93 2HB SER 35 2HB SER 35 -5.760 9.914 -2.111 94 HG SER 35 HG SER 35 -7.551 9.384 -3.477 95 H GLN 36 H GLN 36 -7.109 5.939 -0.924 96 HA GLN 36 HA GLN 36 -9.619 6.300 0.586 97 1HB GLN 36 1HB GLN 36 -9.307 4.799 -1.487 98 2HB GLN 36 2HB GLN 36 -8.360 3.733 -0.448 99 1HG GLN 36 1HG GLN 36 -10.529 2.802 -0.484 100 2HG GLN 36 2HG GLN 36 -10.434 3.595 1.077 101 1HE2 GLN 36 2HE2 GLN 36 -12.031 3.516 -2.062 102 2HE2 GLN 36 1HE2 GLN 36 -13.192 4.789 -1.690 103 H CYS 37 H CYS 37 -6.443 4.795 0.934 104 HA CYS 37 HA CYS 37 -6.577 4.861 3.874 105 1HB CYS 37 1HB CYS 37 -6.110 2.402 2.154 106 2HB CYS 37 2HB CYS 37 -5.291 2.552 3.697 107 H ARG 38 H ARG 38 -4.257 4.340 4.717 108 HA ARG 38 HA ARG 38 -2.457 6.331 3.844 109 1HB ARG 38 1HB ARG 38 -1.929 3.787 5.450 110 2HB ARG 38 2HB ARG 38 -0.730 5.031 5.144 111 1HG ARG 38 1HG ARG 38 -1.356 5.755 7.142 112 2HG ARG 38 2HG ARG 38 -2.525 6.677 6.214 113 1HD ARG 38 1HD ARG 38 -3.139 3.949 7.428 114 2HD ARG 38 2HD ARG 38 -3.250 5.425 8.371 115 HE ARG 38 HE ARG 38 -4.901 6.260 6.646 116 1HH1 ARG 38 2HH2 ARG 38 -4.726 2.811 7.395 117 2HH1 ARG 38 1HH2 ARG 38 -6.418 2.598 7.029 118 1HH2 ARG 38 1HH1 ARG 38 -7.047 5.862 6.254 119 2HH2 ARG 38 2HH1 ARG 38 -7.640 4.230 6.301 120 H ALA 39 H ALA 39 -2.620 2.976 2.769 121 HA ALA 39 HA ALA 39 -1.396 3.739 0.269 122 1HB ALA 39 3HB ALA 39 -0.035 1.619 2.001 123 2HB ALA 39 1HB ALA 39 0.395 2.002 0.328 124 3HB ALA 39 2HB ALA 39 0.655 3.212 1.598 125 HA PRO 40 HA PRO 40 -3.766 -0.065 -0.852 126 1HB PRO 40 2HB PRO 40 -2.751 -0.628 -3.306 127 2HB PRO 40 1HB PRO 40 -3.815 0.784 -3.020 128 1HG PRO 40 1HG PRO 40 -0.785 0.743 -3.153 129 2HG PRO 40 2HG PRO 40 -1.914 1.843 -4.006 130 1HD PRO 40 1HD PRO 40 -0.673 2.501 -1.646 131 2HD PRO 40 2HD PRO 40 -2.304 3.093 -2.062 132 H LYS 41 H LYS 41 -3.095 -2.341 -1.564 133 HA LYS 41 HA LYS 41 -1.419 -3.585 0.268 134 1HB LYS 41 1HB LYS 41 -3.323 -4.512 -1.124 135 2HB LYS 41 2HB LYS 41 -2.189 -4.690 -2.463 136 1HG LYS 41 1HG LYS 41 -0.853 -6.286 -1.151 137 2HG LYS 41 2HG LYS 41 -1.849 -5.982 0.287 138 1HD LYS 41 1HD LYS 41 -3.819 -6.927 -0.873 139 2HD LYS 41 2HD LYS 41 -2.840 -7.191 -2.335 140 1HE LYS 41 1HE LYS 41 -1.323 -8.681 -1.042 141 2HE LYS 41 2HE LYS 41 -2.304 -8.429 0.405 142 1HZ LYS 41 1HZ LYS 41 -3.266 -9.700 -2.106 143 2HZ LYS 41 2HZ LYS 41 -2.905 -10.491 -0.727 144 3HZ LYS 41 3HZ LYS 41 -4.175 -9.471 -0.764 145 H VAL 42 H VAL 42 -0.275 -1.999 -2.502 146 HA VAL 42 HA VAL 42 2.251 -3.209 -3.013 147 HB VAL 42 HB VAL 42 1.461 -0.264 -2.995 148 1HG1 VAL 42 1HG1 VAL 42 3.738 -1.685 -4.430 149 2HG1 VAL 42 2HG1 VAL 42 3.251 0.003 -4.700 150 3HG1 VAL 42 3HG1 VAL 42 3.895 -0.477 -3.132 151 1HG2 VAL 42 3HG2 VAL 42 1.380 -2.316 -5.252 152 2HG2 VAL 42 1HG2 VAL 42 -0.028 -1.545 -4.490 153 3HG2 VAL 42 2HG2 VAL 42 1.092 -0.572 -5.436 154 H CYS 43 H CYS 43 1.205 -1.100 -0.331 155 HA CYS 43 HA CYS 43 3.795 -1.417 1.078 156 1HB CYS 43 1HB CYS 43 3.922 0.485 -0.581 157 2HB CYS 43 2HB CYS 43 2.627 1.296 0.307 158 H PHE 44 H PHE 44 3.158 0.767 2.805 159 HA PHE 44 HA PHE 44 0.517 0.282 4.033 160 1HB PHE 44 1HB PHE 44 1.287 -0.143 6.204 161 2HB PHE 44 2HB PHE 44 2.211 -1.229 5.187 162 HD1 PHE 44 HD1 PHE 44 2.327 1.463 7.613 163 HD2 PHE 44 HD2 PHE 44 4.658 -0.574 4.605 164 HE1 PHE 44 HE1 PHE 44 4.405 2.427 8.568 165 HE2 PHE 44 HE2 PHE 44 6.732 0.395 5.568 166 HZ PHE 44 HZ PHE 44 6.610 1.901 7.541 167 H LYS 45 H LYS 45 3.284 2.381 3.482 168 HA LYS 45 HA LYS 45 1.690 4.761 4.195 169 1HB LYS 45 1HB LYS 45 2.688 4.015 6.348 170 2HB LYS 45 2HB LYS 45 4.302 4.109 5.638 171 1HG LYS 45 1HG LYS 45 3.993 6.561 5.296 172 2HG LYS 45 2HG LYS 45 2.360 6.442 5.981 173 1HD LYS 45 1HD LYS 45 3.331 5.650 8.130 174 2HD LYS 45 2HD LYS 45 4.962 5.760 7.430 175 1HE LYS 45 1HE LYS 45 4.614 8.197 7.035 176 2HE LYS 45 2HE LYS 45 3.002 8.081 7.753 177 1HZ LYS 45 2HZ LYS 45 4.061 7.403 9.847 178 2HZ LYS 45 3HZ LYS 45 5.549 7.518 9.182 179 3HZ LYS 45 1HZ LYS 45 4.634 8.853 9.374 180 H CYS 46 H CYS 46 5.102 3.819 3.406 181 HA CYS 46 HA CYS 46 5.631 6.370 2.255 182 1HB CYS 46 1HB CYS 46 7.834 5.088 1.627 183 2HB CYS 46 2HB CYS 46 7.443 5.511 3.291 184 H LYS 47 H LYS 47 4.738 3.334 0.727 185 HA LYS 47 HA LYS 47 4.261 2.762 -1.444 186 1HB LYS 47 1HB LYS 47 2.304 4.012 -2.191 187 2HB LYS 47 2HB LYS 47 2.297 3.674 -0.468 188 1HG LYS 47 1HG LYS 47 3.000 5.986 0.026 189 2HG LYS 47 2HG LYS 47 3.053 6.364 -1.697 190 1HD LYS 47 1HD LYS 47 0.705 6.122 -1.917 191 2HD LYS 47 2HD LYS 47 0.518 5.344 -0.339 192 1HE LYS 47 1HE LYS 47 1.554 8.193 -0.670 193 2HE LYS 47 2HE LYS 47 -0.166 7.822 -0.510 194 1HZ LYS 47 2HZ LYS 47 1.873 7.077 1.525 195 2HZ LYS 47 3HZ LYS 47 0.829 8.339 1.645 196 3HZ LYS 47 1HZ LYS 47 0.273 6.795 1.626 197 H GLN 48 H GLN 48 6.814 4.257 -1.614 198 HA GLN 48 HA GLN 48 6.756 5.832 -4.004 199 1HB GLN 48 1HB GLN 48 9.074 4.334 -2.713 200 2HB GLN 48 2HB GLN 48 9.238 5.544 -3.977 201 1HG GLN 48 1HG GLN 48 8.213 6.005 -1.148 202 2HG GLN 48 2HG GLN 48 9.744 6.529 -1.821 203 1HE2 GLN 48 2HE2 GLN 48 6.458 7.434 -1.329 204 2HE2 GLN 48 1HE2 GLN 48 6.504 8.893 -2.326 205 HA PRO 49 HA PRO 49 6.196 3.305 -7.369 206 1HB PRO 49 2HB PRO 49 8.816 4.233 -8.567 207 2HB PRO 49 1HB PRO 49 7.205 4.104 -9.347 208 1HG PRO 49 1HG PRO 49 8.057 6.494 -8.441 209 2HG PRO 49 2HG PRO 49 6.373 5.970 -8.104 210 1HD PRO 49 1HD PRO 49 8.770 5.907 -6.271 211 2HD PRO 49 2HD PRO 49 7.080 6.385 -5.934 212 H GLY 50 H GLY 50 9.343 2.518 -5.981 213 1HA GLY 50 2HA GLY 50 10.447 0.518 -7.372 214 2HA GLY 50 1HA GLY 50 8.974 -0.304 -6.860 215 H HIS 51 H HIS 51 9.738 1.696 -4.313 216 HA HIS 51 HA HIS 51 11.978 0.472 -3.091 217 1HB HIS 51 1HB HIS 51 11.440 1.767 -1.222 218 2HB HIS 51 2HB HIS 51 10.813 2.713 -2.562 219 HD1 HIS 51 HD1 HIS 51 7.882 1.983 -2.926 220 HD2 HIS 51 HD2 HIS 51 9.869 1.385 0.745 221 HE1 HIS 51 HE1 HIS 51 6.091 1.460 -1.208 222 H PHE 52 H PHE 52 8.634 -0.580 -3.138 223 HA PHE 52 HA PHE 52 8.477 -1.939 -0.687 224 1HB PHE 52 1HB PHE 52 6.544 -3.142 -1.848 225 2HB PHE 52 2HB PHE 52 6.479 -1.400 -1.711 226 HD1 PHE 52 HD1 PHE 52 6.941 -4.221 -4.095 227 HD2 PHE 52 HD2 PHE 52 6.498 0.048 -3.652 228 HE1 PHE 52 HE1 PHE 52 6.584 -3.997 -6.539 229 HE2 PHE 52 HE2 PHE 52 6.122 0.262 -6.086 230 HZ PHE 52 HZ PHE 52 6.180 -1.754 -7.543 231 H SER 53 H SER 53 9.411 -3.292 -3.873 232 HA SER 53 HA SER 53 9.753 -5.979 -3.058 233 1HB SER 53 1HB SER 53 11.183 -4.454 -5.269 234 2HB SER 53 2HB SER 53 11.060 -6.219 -5.126 235 HG SER 53 HG SER 53 9.465 -5.384 -6.530 236 H LYS 54 H LYS 54 11.646 -3.379 -2.021 237 HA LYS 54 HA LYS 54 13.803 -5.223 -1.090 238 1HB LYS 54 1HB LYS 54 15.473 -3.498 -1.453 239 2HB LYS 54 2HB LYS 54 14.673 -3.932 -2.961 240 1HG LYS 54 1HG LYS 54 13.324 -1.877 -2.895 241 2HG LYS 54 2HG LYS 54 13.956 -1.476 -1.291 242 1HD LYS 54 1HD LYS 54 15.072 -0.112 -2.916 243 2HD LYS 54 2HD LYS 54 16.240 -1.266 -2.254 244 1HE LYS 54 1HE LYS 54 15.928 -2.709 -4.271 245 2HE LYS 54 2HE LYS 54 14.758 -1.550 -4.914 246 1HZ LYS 54 2HZ LYS 54 16.548 0.113 -4.967 247 2HZ LYS 54 3HZ LYS 54 17.624 -0.965 -4.376 248 3HZ LYS 54 1HZ LYS 54 16.968 -1.192 -5.852 249 H GLN 55 H GLN 55 11.262 -3.621 0.017 250 HA GLN 55 HA GLN 55 12.432 -3.359 2.707 251 1HB GLN 55 1HB GLN 55 12.703 -1.113 1.646 252 2HB GLN 55 2HB GLN 55 10.963 -1.018 1.413 253 1HG GLN 55 1HG GLN 55 10.689 -1.230 3.930 254 2HG GLN 55 2HG GLN 55 12.446 -1.223 4.077 255 1HE2 GLN 55 1HE2 GLN 55 9.590 0.746 3.580 256 2HE2 GLN 55 2HE2 GLN 55 10.440 2.287 3.553 257 H CYS 56 H CYS 56 9.319 -2.000 1.682 258 HA CYS 56 HA CYS 56 8.004 -3.149 3.832 259 1HB CYS 56 1HB CYS 56 6.867 -1.875 1.303 260 2HB CYS 56 2HB CYS 56 6.028 -2.046 2.856 261 H ARG 57 H ARG 57 8.415 -4.605 0.724 262 HA ARG 57 HA ARG 57 6.522 -6.813 1.384 263 1HB ARG 57 1HB ARG 57 5.904 -4.783 -0.426 264 2HB ARG 57 2HB ARG 57 6.655 -5.958 -1.480 265 1HG ARG 57 1HG ARG 57 4.578 -6.855 -1.595 266 2HG ARG 57 2HG ARG 57 4.936 -7.588 -0.037 267 1HD ARG 57 1HD ARG 57 3.414 -5.016 -0.615 268 2HD ARG 57 2HD ARG 57 2.763 -6.512 0.067 269 HE ARG 57 HE ARG 57 4.815 -5.543 1.806 270 1HH1 ARG 57 1HH2 ARG 57 1.644 -4.471 0.806 271 2HH1 ARG 57 2HH2 ARG 57 1.499 -3.392 2.169 272 1HH2 ARG 57 1HH1 ARG 57 4.517 -4.314 3.538 273 2HH2 ARG 57 2HH1 ARG 57 2.990 -3.489 3.815 274 H SER 58 H SER 58 9.548 -6.340 1.213 275 HA SER 58 HA SER 58 10.785 -7.907 -0.798 276 1HB SER 58 1HB SER 58 11.875 -6.317 0.817 277 2HB SER 58 2HB SER 58 11.691 -7.550 2.082 278 HG SER 58 HG SER 58 13.748 -7.723 1.059 No H/Q in entry = 278 Start of MODEL 16 1 H1 GLN 22 H3 GLN 22 -8.297 -0.374 -6.138 2 H2 GLN 22 H2 GLN 22 -7.285 0.840 -5.718 3 H3 GLN 22 H1 GLN 22 -7.318 0.301 -7.274 4 HA GLN 22 HA GLN 22 -6.502 -1.859 -6.588 5 1HB GLN 22 1HB GLN 22 -4.885 -0.124 -7.339 6 2HB GLN 22 2HB GLN 22 -4.731 0.454 -5.682 7 1HG GLN 22 1HG GLN 22 -2.824 -0.917 -6.259 8 2HG GLN 22 2HG GLN 22 -3.748 -1.738 -5.012 9 1HE2 GLN 22 1HE2 GLN 22 -2.089 -2.340 -7.852 10 2HE2 GLN 22 2HE2 GLN 22 -2.971 -3.784 -8.337 11 H THR 23 H THR 23 -6.309 -3.358 -4.983 12 HA THR 23 HA THR 23 -7.777 -3.109 -2.687 13 HB THR 23 HB THR 23 -5.447 -5.020 -3.034 14 HG1 THR 23 HG1 THR 23 -6.949 -6.276 -4.139 15 1HG2 THR 23 3HG2 THR 23 -8.143 -5.332 -1.629 16 2HG2 THR 23 1HG2 THR 23 -6.917 -6.602 -1.820 17 3HG2 THR 23 2HG2 THR 23 -6.564 -5.196 -0.814 18 H CYS 24 H CYS 24 -7.595 -2.475 -0.664 19 HA CYS 24 HA CYS 24 -5.670 -0.785 0.377 20 1HB CYS 24 1HB CYS 24 -8.046 -1.295 1.149 21 2HB CYS 24 2HB CYS 24 -7.403 -2.729 1.947 22 H TYR 25 H TYR 25 -4.023 -0.950 1.935 23 HA TYR 25 HA TYR 25 -2.426 -3.336 2.123 24 1HB TYR 25 1HB TYR 25 -0.990 -2.170 3.412 25 2HB TYR 25 2HB TYR 25 -1.700 -0.872 2.479 26 HD1 TYR 25 HD1 TYR 25 -0.696 -1.910 5.675 27 HD2 TYR 25 HD2 TYR 25 -3.891 0.248 3.728 28 HE1 TYR 25 HE1 TYR 25 -1.318 -0.864 7.846 29 HE2 TYR 25 HE2 TYR 25 -4.539 1.248 5.909 30 HH TYR 25 HH TYR 25 -4.133 1.327 8.168 31 H ASN 26 H ASN 26 -5.232 -2.320 3.852 32 HA ASN 26 HA ASN 26 -4.853 -4.422 5.970 33 1HB ASN 26 1HB ASN 26 -4.374 -2.240 6.860 34 2HB ASN 26 2HB ASN 26 -5.791 -1.525 6.094 35 1HD2 ASN 26 2HD2 ASN 26 -7.863 -1.766 7.084 36 2HD2 ASN 26 1HD2 ASN 26 -7.994 -2.441 8.702 37 H CYS 27 H CYS 27 -7.338 -2.449 4.262 38 HA CYS 27 HA CYS 27 -9.503 -3.773 5.540 39 1HB CYS 27 1HB CYS 27 -9.492 -1.944 3.107 40 2HB CYS 27 2HB CYS 27 -10.866 -2.290 4.164 41 H GLY 28 H GLY 28 -7.702 -4.907 2.894 42 1HA GLY 28 2HA GLY 28 -9.255 -7.202 2.396 43 2HA GLY 28 1HA GLY 28 -7.997 -6.567 1.328 44 H LYS 29 H LYS 29 -9.357 -4.075 0.754 45 HA LYS 29 HA LYS 29 -11.841 -4.895 -0.696 46 1HB LYS 29 1HB LYS 29 -12.151 -3.643 1.428 47 2HB LYS 29 2HB LYS 29 -11.198 -2.333 0.787 48 1HG LYS 29 1HG LYS 29 -13.503 -1.725 0.590 49 2HG LYS 29 2HG LYS 29 -12.891 -1.996 -1.035 50 1HD LYS 29 1HD LYS 29 -15.136 -2.910 -0.790 51 2HD LYS 29 2HD LYS 29 -13.996 -4.225 -1.090 52 1HE LYS 29 1HE LYS 29 -13.957 -4.760 1.336 53 2HE LYS 29 2HE LYS 29 -15.033 -3.395 1.663 54 1HZ LYS 29 1HZ LYS 29 -15.745 -5.768 0.017 55 2HZ LYS 29 2HZ LYS 29 -16.258 -5.485 1.539 56 3HZ LYS 29 3HZ LYS 29 -16.741 -4.507 0.328 57 HA PRO 30 HA PRO 30 -9.287 -3.662 -4.238 58 1HB PRO 30 2HB PRO 30 -12.012 -3.786 -5.540 59 2HB PRO 30 1HB PRO 30 -10.433 -4.361 -6.168 60 1HG PRO 30 1HG PRO 30 -12.153 -6.117 -5.054 61 2HG PRO 30 2HG PRO 30 -10.411 -6.194 -4.628 62 1HD PRO 30 1HD PRO 30 -12.686 -4.990 -3.049 63 2HD PRO 30 2HD PRO 30 -11.308 -5.983 -2.488 64 H GLY 31 H GLY 31 -12.281 -1.905 -3.467 65 1HA GLY 31 2HA GLY 31 -13.040 0.214 -3.919 66 2HA GLY 31 1HA GLY 31 -11.853 0.329 -5.216 67 H HIS 32 H HIS 32 -9.521 -0.028 -3.468 68 HA HIS 32 HA HIS 32 -9.584 2.441 -1.806 69 1HB HIS 32 1HB HIS 32 -8.061 -0.129 -1.642 70 2HB HIS 32 2HB HIS 32 -7.256 1.338 -1.096 71 HD1 HIS 32 HD1 HIS 32 -10.634 -0.441 -0.412 72 HD2 HIS 32 HD2 HIS 32 -7.698 1.980 1.353 73 HE1 HIS 32 HE1 HIS 32 -11.328 -0.143 2.041 74 H LEU 33 H LEU 33 -7.786 3.732 -1.700 75 HA LEU 33 HA LEU 33 -5.977 4.197 -3.951 76 1HB LEU 33 1HB LEU 33 -8.230 6.106 -3.118 77 2HB LEU 33 2HB LEU 33 -6.876 6.578 -4.133 78 HG LEU 33 HG LEU 33 -8.986 4.522 -4.915 79 1HD1 LEU 33 2HD1 LEU 33 -9.890 6.798 -4.740 80 2HD1 LEU 33 3HD1 LEU 33 -8.587 7.410 -5.783 81 3HD1 LEU 33 1HD1 LEU 33 -9.793 6.273 -6.428 82 1HD2 LEU 33 1HD2 LEU 33 -6.752 5.840 -6.532 83 2HD2 LEU 33 2HD2 LEU 33 -6.823 4.125 -6.065 84 3HD2 LEU 33 3HD2 LEU 33 -8.023 4.782 -7.184 85 H SER 34 H SER 34 -4.564 6.122 -3.309 86 HA SER 34 HA SER 34 -3.603 6.137 -0.664 87 1HB SER 34 1HB SER 34 -3.456 8.353 -2.736 88 2HB SER 34 2HB SER 34 -2.389 8.160 -1.333 89 HG SER 34 HG SER 34 -1.606 7.300 -3.417 90 H SER 35 H SER 35 -6.501 7.624 -1.754 91 HA SER 35 HA SER 35 -6.700 9.481 0.560 92 1HB SER 35 1HB SER 35 -8.701 10.306 -0.672 93 2HB SER 35 2HB SER 35 -7.198 10.440 -1.601 94 HG SER 35 HG SER 35 -8.937 9.556 -2.842 95 H GLN 36 H GLN 36 -7.616 6.290 -0.261 96 HA GLN 36 HA GLN 36 -10.104 6.280 1.363 97 1HB GLN 36 1HB GLN 36 -9.724 5.051 -0.915 98 2HB GLN 36 2HB GLN 36 -8.766 3.916 0.025 99 1HG GLN 36 1HG GLN 36 -10.871 2.904 -0.015 100 2HG GLN 36 2HG GLN 36 -10.910 3.715 1.543 101 1HE2 GLN 36 2HE2 GLN 36 -12.282 3.554 -1.715 102 2HE2 GLN 36 1HE2 GLN 36 -13.506 4.789 -1.435 103 H CYS 37 H CYS 37 -6.855 4.859 1.288 104 HA CYS 37 HA CYS 37 -6.562 5.075 4.189 105 1HB CYS 37 1HB CYS 37 -6.052 2.468 2.667 106 2HB CYS 37 2HB CYS 37 -5.265 2.856 4.186 107 H ARG 38 H ARG 38 -4.136 4.936 4.679 108 HA ARG 38 HA ARG 38 -2.738 6.749 3.076 109 1HB ARG 38 1HB ARG 38 -0.916 6.544 4.467 110 2HB ARG 38 2HB ARG 38 -2.266 6.148 5.513 111 1HG ARG 38 1HG ARG 38 -0.432 4.094 4.172 112 2HG ARG 38 2HG ARG 38 -0.170 4.746 5.768 113 1HD ARG 38 1HD ARG 38 -2.757 3.305 5.068 114 2HD ARG 38 2HD ARG 38 -1.325 2.432 5.545 115 HE ARG 38 HE ARG 38 -3.036 4.042 7.279 116 1HH1 ARG 38 1HH1 ARG 38 0.186 2.660 6.997 117 2HH1 ARG 38 2HH1 ARG 38 0.427 2.682 8.730 118 1HH2 ARG 38 2HH2 ARG 38 -2.642 4.035 9.463 119 2HH2 ARG 38 1HH2 ARG 38 -1.130 3.440 10.079 120 H ALA 39 H ALA 39 -2.828 3.302 2.503 121 HA ALA 39 HA ALA 39 -1.353 3.646 0.024 122 1HB ALA 39 3HB ALA 39 0.527 3.407 1.621 123 2HB ALA 39 1HB ALA 39 -0.203 1.921 2.275 124 3HB ALA 39 2HB ALA 39 0.407 1.956 0.611 125 HA PRO 40 HA PRO 40 -3.602 -0.261 -0.851 126 1HB PRO 40 2HB PRO 40 -2.486 -0.933 -3.226 127 2HB PRO 40 1HB PRO 40 -3.573 0.482 -3.074 128 1HG PRO 40 1HG PRO 40 -0.536 0.447 -3.067 129 2HG PRO 40 2HG PRO 40 -1.626 1.497 -4.026 130 1HD PRO 40 1HD PRO 40 -0.488 2.270 -1.643 131 2HD PRO 40 2HD PRO 40 -2.091 2.856 -2.177 132 H LYS 41 H LYS 41 -2.909 -2.565 -1.370 133 HA LYS 41 HA LYS 41 -1.158 -3.544 0.574 134 1HB LYS 41 1HB LYS 41 -3.136 -4.667 -0.682 135 2HB LYS 41 2HB LYS 41 -1.972 -5.087 -1.921 136 1HG LYS 41 1HG LYS 41 -2.430 -6.942 -0.383 137 2HG LYS 41 2HG LYS 41 -0.729 -6.489 -0.311 138 1HD LYS 41 1HD LYS 41 -1.060 -5.329 1.806 139 2HD LYS 41 2HD LYS 41 -2.826 -5.516 1.674 140 1HE LYS 41 1HE LYS 41 -2.649 -7.918 1.925 141 2HE LYS 41 2HE LYS 41 -0.880 -7.839 1.919 142 1HZ LYS 41 1HZ LYS 41 -2.546 -6.452 3.960 143 2HZ LYS 41 2HZ LYS 41 -1.898 -7.942 4.191 144 3HZ LYS 41 3HZ LYS 41 -0.931 -6.642 3.987 145 H VAL 42 H VAL 42 -0.123 -2.378 -2.418 146 HA VAL 42 HA VAL 42 2.369 -3.677 -2.841 147 HB VAL 42 HB VAL 42 1.673 -0.722 -3.127 148 1HG1 VAL 42 2HG1 VAL 42 3.854 -2.383 -4.455 149 2HG1 VAL 42 3HG1 VAL 42 3.411 -0.723 -4.915 150 3HG1 VAL 42 1HG1 VAL 42 4.090 -1.034 -3.320 151 1HG2 VAL 42 2HG2 VAL 42 1.434 -3.007 -5.135 152 2HG2 VAL 42 3HG2 VAL 42 0.085 -2.093 -4.423 153 3HG2 VAL 42 1HG2 VAL 42 1.211 -1.284 -5.508 154 H CYS 43 H CYS 43 1.391 -1.390 -0.333 155 HA CYS 43 HA CYS 43 3.999 -1.591 1.060 156 1HB CYS 43 1HB CYS 43 3.977 0.301 -0.631 157 2HB CYS 43 2HB CYS 43 2.665 1.045 0.294 158 H PHE 44 H PHE 44 3.455 0.359 2.894 159 HA PHE 44 HA PHE 44 0.759 0.015 4.077 160 1HB PHE 44 1HB PHE 44 1.531 -0.469 6.242 161 2HB PHE 44 2HB PHE 44 2.406 -1.576 5.201 162 HD1 PHE 44 HD1 PHE 44 2.649 1.132 7.619 163 HD2 PHE 44 HD2 PHE 44 4.868 -1.038 4.623 164 HE1 PHE 44 HE1 PHE 44 4.773 2.030 8.542 165 HE2 PHE 44 HE2 PHE 44 6.988 -0.140 5.550 166 HZ PHE 44 HZ PHE 44 6.946 1.400 7.503 167 H LYS 45 H LYS 45 3.227 2.112 3.079 168 HA LYS 45 HA LYS 45 1.887 4.487 4.112 169 1HB LYS 45 1HB LYS 45 3.184 3.785 6.117 170 2HB LYS 45 2HB LYS 45 4.657 3.741 5.170 171 1HG LYS 45 1HG LYS 45 4.618 5.720 6.521 172 2HG LYS 45 2HG LYS 45 4.509 6.207 4.832 173 1HD LYS 45 1HD LYS 45 2.081 6.608 5.076 174 2HD LYS 45 2HD LYS 45 2.135 5.986 6.744 175 1HE LYS 45 1HE LYS 45 3.749 7.792 7.342 176 2HE LYS 45 2HE LYS 45 3.652 8.422 5.694 177 1HZ LYS 45 3HZ LYS 45 1.370 8.262 7.596 178 2HZ LYS 45 1HZ LYS 45 2.172 9.623 7.201 179 3HZ LYS 45 2HZ LYS 45 1.280 8.856 6.073 180 H CYS 46 H CYS 46 5.183 3.588 3.030 181 HA CYS 46 HA CYS 46 5.646 6.050 1.762 182 1HB CYS 46 1HB CYS 46 7.650 4.347 0.866 183 2HB CYS 46 2HB CYS 46 7.657 5.340 2.312 184 H LYS 47 H LYS 47 4.642 2.994 0.336 185 HA LYS 47 HA LYS 47 4.100 2.337 -1.789 186 1HB LYS 47 1HB LYS 47 2.120 3.522 -2.564 187 2HB LYS 47 2HB LYS 47 2.137 3.307 -0.818 188 1HG LYS 47 1HG LYS 47 2.861 5.637 -0.503 189 2HG LYS 47 2HG LYS 47 2.891 5.896 -2.251 190 1HD LYS 47 1HD LYS 47 0.502 5.648 -2.395 191 2HD LYS 47 2HD LYS 47 0.381 5.055 -0.730 192 1HE LYS 47 1HE LYS 47 1.460 7.815 -1.454 193 2HE LYS 47 2HE LYS 47 -0.246 7.507 -1.101 194 1HZ LYS 47 3HZ LYS 47 1.934 6.882 0.829 195 2HZ LYS 47 1HZ LYS 47 1.012 8.244 0.879 196 3HZ LYS 47 2HZ LYS 47 0.328 6.766 1.084 197 H GLN 48 H GLN 48 6.619 3.974 -2.030 198 HA GLN 48 HA GLN 48 6.488 5.341 -4.543 199 1HB GLN 48 1HB GLN 48 8.883 4.075 -3.154 200 2HB GLN 48 2HB GLN 48 8.973 5.207 -4.494 201 1HG GLN 48 1HG GLN 48 7.952 5.785 -1.687 202 2HG GLN 48 2HG GLN 48 9.434 6.365 -2.421 203 1HE2 GLN 48 2HE2 GLN 48 6.113 7.091 -1.908 204 2HE2 GLN 48 1HE2 GLN 48 6.043 8.484 -2.995 205 HA PRO 49 HA PRO 49 6.028 2.527 -7.671 206 1HB PRO 49 2HB PRO 49 8.614 3.435 -8.954 207 2HB PRO 49 1HB PRO 49 7.013 3.178 -9.718 208 1HG PRO 49 1HG PRO 49 7.775 5.669 -9.028 209 2HG PRO 49 2HG PRO 49 6.110 5.117 -8.650 210 1HD PRO 49 1HD PRO 49 8.496 5.318 -6.814 211 2HD PRO 49 2HD PRO 49 6.786 5.745 -6.520 212 H GLY 50 H GLY 50 9.280 2.046 -6.342 213 1HA GLY 50 2HA GLY 50 10.419 -0.049 -7.524 214 2HA GLY 50 1HA GLY 50 9.017 -0.881 -6.850 215 H HIS 51 H HIS 51 9.632 1.366 -4.539 216 HA HIS 51 HA HIS 51 12.031 0.499 -3.287 217 1HB HIS 51 1HB HIS 51 11.402 1.871 -1.506 218 2HB HIS 51 2HB HIS 51 10.673 2.647 -2.900 219 HD1 HIS 51 HD1 HIS 51 7.807 1.657 -3.133 220 HD2 HIS 51 HD2 HIS 51 9.901 1.528 0.527 221 HE1 HIS 51 HE1 HIS 51 6.089 1.175 -1.332 222 H PHE 52 H PHE 52 8.786 -0.835 -3.119 223 HA PHE 52 HA PHE 52 8.820 -1.926 -0.559 224 1HB PHE 52 1HB PHE 52 6.934 -3.360 -1.389 225 2HB PHE 52 2HB PHE 52 6.766 -1.635 -1.636 226 HD1 PHE 52 HD1 PHE 52 7.261 -4.889 -3.338 227 HD2 PHE 52 HD2 PHE 52 6.739 -0.638 -3.872 228 HE1 PHE 52 HE1 PHE 52 6.838 -5.237 -5.758 229 HE2 PHE 52 HE2 PHE 52 6.312 -0.996 -6.283 230 HZ PHE 52 HZ PHE 52 6.368 -3.291 -7.236 231 H SER 53 H SER 53 9.795 -3.609 -3.590 232 HA SER 53 HA SER 53 10.410 -6.116 -2.464 233 1HB SER 53 1HB SER 53 11.777 -4.717 -4.792 234 2HB SER 53 2HB SER 53 11.793 -6.461 -4.456 235 HG SER 53 HG SER 53 10.188 -5.891 -5.997 236 H LYS 54 H LYS 54 11.965 -3.245 -1.647 237 HA LYS 54 HA LYS 54 14.374 -4.661 -0.590 238 1HB LYS 54 1HB LYS 54 14.315 -1.821 -1.707 239 2HB LYS 54 2HB LYS 54 15.699 -2.676 -1.043 240 1HG LYS 54 1HG LYS 54 16.190 -3.063 -3.207 241 2HG LYS 54 2HG LYS 54 15.145 -4.444 -2.964 242 1HD LYS 54 1HD LYS 54 14.462 -3.486 -5.033 243 2HD LYS 54 2HD LYS 54 13.219 -3.011 -3.890 244 1HE LYS 54 1HE LYS 54 13.645 -1.095 -5.185 245 2HE LYS 54 2HE LYS 54 14.398 -0.781 -3.619 246 1HZ LYS 54 2HZ LYS 54 15.831 -1.697 -6.066 247 2HZ LYS 54 3HZ LYS 54 15.861 -0.179 -5.475 248 3HZ LYS 54 1HZ LYS 54 16.549 -1.391 -4.630 249 H GLN 55 H GLN 55 11.584 -3.453 0.477 250 HA GLN 55 HA GLN 55 12.731 -2.783 3.096 251 1HB GLN 55 1HB GLN 55 12.686 -0.595 1.822 252 2HB GLN 55 2HB GLN 55 10.931 -0.745 1.716 253 1HG GLN 55 1HG GLN 55 10.897 -0.847 4.276 254 2HG GLN 55 2HG GLN 55 12.629 -0.501 4.246 255 1HE2 GLN 55 1HE2 GLN 55 9.394 0.769 3.562 256 2HE2 GLN 55 2HE2 GLN 55 9.872 2.458 3.494 257 H CYS 56 H CYS 56 9.598 -2.598 1.330 258 HA CYS 56 HA CYS 56 8.153 -3.369 3.773 259 1HB CYS 56 1HB CYS 56 7.162 -2.273 1.109 260 2HB CYS 56 2HB CYS 56 6.226 -2.433 2.599 261 H ARG 57 H ARG 57 9.268 -5.005 1.089 262 HA ARG 57 HA ARG 57 7.559 -7.366 1.536 263 1HB ARG 57 1HB ARG 57 6.745 -5.612 -0.355 264 2HB ARG 57 2HB ARG 57 7.984 -6.388 -1.312 265 1HG ARG 57 1HG ARG 57 5.720 -7.311 -1.681 266 2HG ARG 57 2HG ARG 57 6.833 -8.551 -1.116 267 1HD ARG 57 1HD ARG 57 4.535 -8.647 -0.076 268 2HD ARG 57 2HD ARG 57 5.856 -8.584 1.072 269 HE ARG 57 HE ARG 57 5.298 -6.371 1.693 270 1HH1 ARG 57 1HH2 ARG 57 3.094 -7.386 -0.866 271 2HH1 ARG 57 2HH2 ARG 57 2.058 -5.995 -0.571 272 1HH2 ARG 57 2HH1 ARG 57 3.883 -4.704 1.970 273 2HH2 ARG 57 1HH1 ARG 57 2.474 -4.582 0.924 274 H SER 58 H SER 58 10.457 -6.542 1.839 275 HA SER 58 HA SER 58 12.265 -7.737 0.108 276 1HB SER 58 1HB SER 58 12.423 -7.683 3.142 277 2HB SER 58 2HB SER 58 13.780 -7.853 2.012 278 HG SER 58 HG SER 58 13.480 -5.665 2.715 No H/Q in entry = 278 Start of MODEL 17 1 H1 GLN 22 H2 GLN 22 -8.071 -0.673 -6.214 2 H2 GLN 22 H1 GLN 22 -7.267 0.655 -5.694 3 H3 GLN 22 H3 GLN 22 -7.085 0.151 -7.249 4 HA GLN 22 HA GLN 22 -6.037 -1.906 -6.495 5 1HB GLN 22 1HB GLN 22 -4.751 0.721 -5.622 6 2HB GLN 22 2HB GLN 22 -3.974 -0.839 -5.398 7 1HG GLN 22 1HG GLN 22 -3.021 -0.075 -7.338 8 2HG GLN 22 2HG GLN 22 -4.199 -1.247 -7.906 9 1HE2 GLN 22 1HE2 GLN 22 -2.880 1.498 -8.946 10 2HE2 GLN 22 2HE2 GLN 22 -4.295 2.281 -9.638 11 H THR 23 H THR 23 -6.218 -3.417 -4.935 12 HA THR 23 HA THR 23 -7.765 -3.123 -2.715 13 HB THR 23 HB THR 23 -5.518 -5.147 -2.908 14 HG1 THR 23 HG1 THR 23 -7.037 -6.332 -4.147 15 1HG2 THR 23 1HG2 THR 23 -8.355 -5.318 -1.791 16 2HG2 THR 23 2HG2 THR 23 -7.205 -6.667 -1.892 17 3HG2 THR 23 3HG2 THR 23 -6.858 -5.302 -0.825 18 H CYS 24 H CYS 24 -7.639 -2.586 -0.629 19 HA CYS 24 HA CYS 24 -5.658 -0.964 0.449 20 1HB CYS 24 1HB CYS 24 -8.079 -1.358 1.165 21 2HB CYS 24 2HB CYS 24 -7.514 -2.795 2.005 22 H TYR 25 H TYR 25 -3.984 -1.200 1.914 23 HA TYR 25 HA TYR 25 -2.568 -3.702 2.224 24 1HB TYR 25 1HB TYR 25 -1.004 -2.522 3.397 25 2HB TYR 25 2HB TYR 25 -1.635 -1.281 2.339 26 HD1 TYR 25 HD1 TYR 25 -0.460 -1.793 5.520 27 HD2 TYR 25 HD2 TYR 25 -3.924 -0.089 3.586 28 HE1 TYR 25 HE1 TYR 25 -0.906 -0.399 7.531 29 HE2 TYR 25 HE2 TYR 25 -4.392 1.242 5.611 30 HH TYR 25 HH TYR 25 -2.311 1.126 8.518 31 H ASN 26 H ASN 26 -5.340 -2.506 3.807 32 HA ASN 26 HA ASN 26 -4.996 -4.355 6.152 33 1HB ASN 26 1HB ASN 26 -4.484 -2.076 6.816 34 2HB ASN 26 2HB ASN 26 -5.925 -1.450 6.020 35 1HD2 ASN 26 1HD2 ASN 26 -7.983 -1.651 7.070 36 2HD2 ASN 26 2HD2 ASN 26 -8.068 -2.196 8.738 37 H CYS 27 H CYS 27 -7.440 -2.446 4.319 38 HA CYS 27 HA CYS 27 -9.626 -3.750 5.615 39 1HB CYS 27 1HB CYS 27 -9.608 -1.928 3.172 40 2HB CYS 27 2HB CYS 27 -10.966 -2.237 4.262 41 H GLY 28 H GLY 28 -7.897 -4.624 2.742 42 1HA GLY 28 2HA GLY 28 -9.480 -6.944 2.192 43 2HA GLY 28 1HA GLY 28 -8.160 -6.312 1.212 44 H LYS 29 H LYS 29 -10.210 -3.753 1.249 45 HA LYS 29 HA LYS 29 -12.203 -4.624 -0.758 46 1HB LYS 29 1HB LYS 29 -11.644 -2.118 0.802 47 2HB LYS 29 2HB LYS 29 -12.490 -1.971 -0.731 48 1HG LYS 29 1HG LYS 29 -14.082 -2.030 1.005 49 2HG LYS 29 2HG LYS 29 -14.267 -3.483 0.035 50 1HD LYS 29 1HD LYS 29 -12.655 -3.521 2.611 51 2HD LYS 29 2HD LYS 29 -14.418 -3.575 2.651 52 1HE LYS 29 1HE LYS 29 -14.479 -5.595 1.288 53 2HE LYS 29 2HE LYS 29 -12.723 -5.568 1.099 54 1HZ LYS 29 1HZ LYS 29 -14.133 -5.890 3.691 55 2HZ LYS 29 2HZ LYS 29 -13.382 -7.086 2.869 56 3HZ LYS 29 3HZ LYS 29 -12.505 -5.850 3.494 57 HA PRO 30 HA PRO 30 -9.294 -3.884 -4.172 58 1HB PRO 30 2HB PRO 30 -11.908 -3.877 -5.680 59 2HB PRO 30 1HB PRO 30 -10.355 -4.659 -6.112 60 1HG PRO 30 1HG PRO 30 -12.355 -6.128 -5.042 61 2HG PRO 30 2HG PRO 30 -10.673 -6.358 -4.458 62 1HD PRO 30 1HD PRO 30 -12.905 -4.763 -3.182 63 2HD PRO 30 2HD PRO 30 -11.739 -5.893 -2.432 64 H GLY 31 H GLY 31 -12.212 -1.906 -3.692 65 1HA GLY 31 2HA GLY 31 -12.811 0.218 -4.333 66 2HA GLY 31 1HA GLY 31 -11.521 0.193 -5.533 67 H HIS 32 H HIS 32 -9.540 -0.316 -3.199 68 HA HIS 32 HA HIS 32 -9.516 2.296 -1.849 69 1HB HIS 32 1HB HIS 32 -8.012 -0.274 -1.589 70 2HB HIS 32 2HB HIS 32 -7.181 1.198 -1.104 71 HD1 HIS 32 HD1 HIS 32 -10.666 -0.375 -0.380 72 HD2 HIS 32 HD2 HIS 32 -7.582 1.895 1.327 73 HE1 HIS 32 HE1 HIS 32 -11.338 0.027 2.063 74 H LEU 33 H LEU 33 -7.566 3.524 -1.751 75 HA LEU 33 HA LEU 33 -5.986 3.946 -4.190 76 1HB LEU 33 1HB LEU 33 -8.086 5.901 -3.108 77 2HB LEU 33 2HB LEU 33 -6.824 6.371 -4.231 78 HG LEU 33 HG LEU 33 -9.020 4.359 -4.863 79 1HD1 LEU 33 1HD1 LEU 33 -9.867 6.648 -4.582 80 2HD1 LEU 33 2HD1 LEU 33 -8.641 7.255 -5.715 81 3HD1 LEU 33 3HD1 LEU 33 -9.915 6.152 -6.281 82 1HD2 LEU 33 2HD2 LEU 33 -6.896 5.664 -6.633 83 2HD2 LEU 33 3HD2 LEU 33 -6.979 3.940 -6.204 84 3HD2 LEU 33 1HD2 LEU 33 -8.243 4.657 -7.206 85 H SER 34 H SER 34 -4.559 5.880 -3.802 86 HA SER 34 HA SER 34 -3.010 5.778 -1.466 87 1HB SER 34 1HB SER 34 -2.412 6.673 -3.739 88 2HB SER 34 2HB SER 34 -3.338 8.137 -3.356 89 HG SER 34 HG SER 34 -1.121 8.388 -2.908 90 H SER 35 H SER 35 -6.034 7.424 -1.829 91 HA SER 35 HA SER 35 -5.683 8.939 0.721 92 1HB SER 35 1HB SER 35 -7.506 10.368 -0.159 93 2HB SER 35 2HB SER 35 -6.074 10.360 -1.203 94 HG SER 35 HG SER 35 -8.044 10.095 -2.389 95 H GLN 36 H GLN 36 -7.205 6.133 -0.454 96 HA GLN 36 HA GLN 36 -9.677 6.344 1.131 97 1HB GLN 36 1HB GLN 36 -9.283 5.010 -1.081 98 2HB GLN 36 2HB GLN 36 -8.489 3.824 -0.052 99 1HG GLN 36 1HG GLN 36 -10.665 2.988 -0.132 100 2HG GLN 36 2HG GLN 36 -10.754 3.932 1.341 101 1HE2 GLN 36 1HE2 GLN 36 -11.820 3.674 -2.058 102 2HE2 GLN 36 2HE2 GLN 36 -12.970 4.995 -1.940 103 H CYS 37 H CYS 37 -6.526 4.775 1.344 104 HA CYS 37 HA CYS 37 -6.529 4.926 4.254 105 1HB CYS 37 1HB CYS 37 -6.110 2.321 2.732 106 2HB CYS 37 2HB CYS 37 -5.255 2.622 4.222 107 H ARG 38 H ARG 38 -4.114 4.303 4.931 108 HA ARG 38 HA ARG 38 -2.369 6.249 3.883 109 1HB ARG 38 1HB ARG 38 -1.715 3.686 5.408 110 2HB ARG 38 2HB ARG 38 -0.556 4.944 5.014 111 1HG ARG 38 1HG ARG 38 -0.997 5.620 7.079 112 2HG ARG 38 2HG ARG 38 -2.244 6.558 6.277 113 1HD ARG 38 1HD ARG 38 -2.769 3.801 7.463 114 2HD ARG 38 2HD ARG 38 -2.756 5.238 8.470 115 HE ARG 38 HE ARG 38 -4.558 6.171 6.965 116 1HH1 ARG 38 1HH1 ARG 38 -4.378 2.692 7.570 117 2HH1 ARG 38 2HH1 ARG 38 -6.090 2.511 7.279 118 1HH2 ARG 38 2HH2 ARG 38 -6.732 5.807 6.699 119 2HH2 ARG 38 1HH2 ARG 38 -7.323 4.170 6.673 120 H ALA 39 H ALA 39 -2.598 2.835 2.876 121 HA ALA 39 HA ALA 39 -1.489 3.533 0.279 122 1HB ALA 39 3HB ALA 39 -0.034 1.536 2.077 123 2HB ALA 39 1HB ALA 39 0.367 1.869 0.388 124 3HB ALA 39 2HB ALA 39 0.591 3.136 1.606 125 HA PRO 40 HA PRO 40 -3.690 -0.412 -0.715 126 1HB PRO 40 2HB PRO 40 -2.613 -1.021 -3.134 127 2HB PRO 40 1HB PRO 40 -3.754 0.342 -2.924 128 1HG PRO 40 1HG PRO 40 -0.722 0.455 -3.005 129 2HG PRO 40 2HG PRO 40 -1.889 1.458 -3.923 130 1HD PRO 40 1HD PRO 40 -0.729 2.287 -1.581 131 2HD PRO 40 2HD PRO 40 -2.392 2.761 -2.034 132 H LYS 41 H LYS 41 -2.950 -2.706 -1.191 133 HA LYS 41 HA LYS 41 -1.040 -3.578 0.687 134 1HB LYS 41 1HB LYS 41 -1.476 -5.805 -0.089 135 2HB LYS 41 2HB LYS 41 -2.977 -4.892 -0.068 136 1HG LYS 41 1HG LYS 41 -2.865 -4.601 -2.529 137 2HG LYS 41 2HG LYS 41 -1.318 -5.468 -2.566 138 1HD LYS 41 1HD LYS 41 -2.416 -7.485 -1.628 139 2HD LYS 41 2HD LYS 41 -3.973 -6.631 -1.608 140 1HE LYS 41 1HE LYS 41 -3.868 -6.360 -4.068 141 2HE LYS 41 2HE LYS 41 -2.280 -7.137 -4.101 142 1HZ LYS 41 1HZ LYS 41 -4.788 -8.473 -3.215 143 2HZ LYS 41 2HZ LYS 41 -4.053 -8.706 -4.654 144 3HZ LYS 41 3HZ LYS 41 -3.315 -9.175 -3.278 145 H VAL 42 H VAL 42 -0.161 -2.289 -2.226 146 HA VAL 42 HA VAL 42 2.342 -3.591 -2.798 147 HB VAL 42 HB VAL 42 1.533 -0.660 -3.031 148 1HG1 VAL 42 3HG1 VAL 42 3.766 -2.210 -4.398 149 2HG1 VAL 42 1HG1 VAL 42 3.260 -0.557 -4.818 150 3HG1 VAL 42 2HG1 VAL 42 3.958 -0.879 -3.232 151 1HG2 VAL 42 2HG2 VAL 42 1.382 -2.920 -5.075 152 2HG2 VAL 42 3HG2 VAL 42 -0.002 -2.082 -4.339 153 3HG2 VAL 42 1HG2 VAL 42 1.078 -1.204 -5.416 154 H CYS 43 H CYS 43 1.335 -1.292 -0.280 155 HA CYS 43 HA CYS 43 3.952 -1.479 1.104 156 1HB CYS 43 1HB CYS 43 3.976 0.357 -0.638 157 2HB CYS 43 2HB CYS 43 2.678 1.160 0.252 158 H PHE 44 H PHE 44 3.324 0.690 2.782 159 HA PHE 44 HA PHE 44 0.693 0.238 4.056 160 1HB PHE 44 1HB PHE 44 1.513 -0.086 6.229 161 2HB PHE 44 2HB PHE 44 2.433 -1.199 5.238 162 HD1 PHE 44 HD1 PHE 44 2.561 1.592 7.547 163 HD2 PHE 44 HD2 PHE 44 4.854 -0.521 4.562 164 HE1 PHE 44 HE1 PHE 44 4.643 2.637 8.405 165 HE2 PHE 44 HE2 PHE 44 6.930 0.534 5.420 166 HZ PHE 44 HZ PHE 44 6.830 2.116 7.336 167 H LYS 45 H LYS 45 3.345 2.358 3.246 168 HA LYS 45 HA LYS 45 1.782 4.744 3.949 169 1HB LYS 45 1HB LYS 45 2.844 4.167 6.106 170 2HB LYS 45 2HB LYS 45 4.422 4.085 5.336 171 1HG LYS 45 1HG LYS 45 4.207 6.128 6.596 172 2HG LYS 45 2HG LYS 45 4.350 6.517 4.885 173 1HD LYS 45 1HD LYS 45 1.904 6.923 4.756 174 2HD LYS 45 2HD LYS 45 1.733 6.444 6.463 175 1HE LYS 45 1HE LYS 45 3.279 8.292 7.112 176 2HE LYS 45 2HE LYS 45 3.416 8.771 5.416 177 1HZ LYS 45 2HZ LYS 45 1.020 9.243 5.427 178 2HZ LYS 45 3HZ LYS 45 0.899 8.803 7.000 179 3HZ LYS 45 1HZ LYS 45 1.768 10.116 6.582 180 H CYS 46 H CYS 46 5.165 3.792 3.126 181 HA CYS 46 HA CYS 46 5.739 6.239 1.864 182 1HB CYS 46 1HB CYS 46 7.720 4.505 1.005 183 2HB CYS 46 2HB CYS 46 7.710 5.474 2.469 184 H LYS 47 H LYS 47 4.663 3.221 0.423 185 HA LYS 47 HA LYS 47 4.096 2.606 -1.710 186 1HB LYS 47 1HB LYS 47 2.078 3.773 -2.357 187 2HB LYS 47 2HB LYS 47 2.202 3.547 -0.621 188 1HG LYS 47 1HG LYS 47 3.032 5.964 -0.464 189 2HG LYS 47 2HG LYS 47 2.589 6.151 -2.160 190 1HD LYS 47 1HD LYS 47 0.257 5.793 -1.649 191 2HD LYS 47 2HD LYS 47 0.646 5.156 -0.034 192 1HE LYS 47 1HE LYS 47 1.593 7.354 0.618 193 2HE LYS 47 2HE LYS 47 1.123 8.022 -0.955 194 1HZ LYS 47 2HZ LYS 47 -0.777 6.856 1.008 195 2HZ LYS 47 3HZ LYS 47 -0.525 8.467 0.814 196 3HZ LYS 47 1HZ LYS 47 -1.176 7.604 -0.409 197 H GLN 48 H GLN 48 6.626 4.117 -2.017 198 HA GLN 48 HA GLN 48 6.463 5.542 -4.509 199 1HB GLN 48 1HB GLN 48 8.860 4.184 -3.212 200 2HB GLN 48 2HB GLN 48 8.938 5.330 -4.539 201 1HG GLN 48 1HG GLN 48 8.040 5.904 -1.690 202 2HG GLN 48 2HG GLN 48 9.512 6.445 -2.472 203 1HE2 GLN 48 2HE2 GLN 48 6.244 7.277 -1.821 204 2HE2 GLN 48 1HE2 GLN 48 6.177 8.682 -2.893 205 HA PRO 49 HA PRO 49 5.884 2.704 -7.634 206 1HB PRO 49 2HB PRO 49 8.423 3.627 -8.994 207 2HB PRO 49 1HB PRO 49 6.796 3.377 -9.703 208 1HG PRO 49 1HG PRO 49 7.589 5.862 -9.028 209 2HG PRO 49 2HG PRO 49 5.937 5.313 -8.593 210 1HD PRO 49 1HD PRO 49 8.388 5.482 -6.842 211 2HD PRO 49 2HD PRO 49 6.697 5.934 -6.490 212 H GLY 50 H GLY 50 9.101 2.175 -6.286 213 1HA GLY 50 2HA GLY 50 10.268 0.136 -7.556 214 2HA GLY 50 1HA GLY 50 8.861 -0.724 -6.939 215 H HIS 51 H HIS 51 9.617 1.515 -4.579 216 HA HIS 51 HA HIS 51 11.939 0.481 -3.343 217 1HB HIS 51 1HB HIS 51 11.397 1.887 -1.555 218 2HB HIS 51 2HB HIS 51 10.704 2.705 -2.942 219 HD1 HIS 51 HD1 HIS 51 7.785 1.791 -3.160 220 HD2 HIS 51 HD2 HIS 51 9.895 1.732 0.493 221 HE1 HIS 51 HE1 HIS 51 6.063 1.444 -1.333 222 H PHE 52 H PHE 52 8.654 -0.716 -3.202 223 HA PHE 52 HA PHE 52 8.607 -1.799 -0.622 224 1HB PHE 52 1HB PHE 52 6.666 -3.136 -1.518 225 2HB PHE 52 2HB PHE 52 6.579 -1.398 -1.701 226 HD1 PHE 52 HD1 PHE 52 6.997 -4.610 -3.523 227 HD2 PHE 52 HD2 PHE 52 6.565 -0.330 -3.890 228 HE1 PHE 52 HE1 PHE 52 6.579 -4.853 -5.956 229 HE2 PHE 52 HE2 PHE 52 6.130 -0.585 -6.311 230 HZ PHE 52 HZ PHE 52 6.150 -2.841 -7.358 231 H SER 53 H SER 53 9.534 -3.480 -3.657 232 HA SER 53 HA SER 53 10.012 -6.046 -2.552 233 1HB SER 53 1HB SER 53 11.403 -4.689 -4.894 234 2HB SER 53 2HB SER 53 11.344 -6.434 -4.576 235 HG SER 53 HG SER 53 9.749 -5.780 -6.090 236 H LYS 54 H LYS 54 11.674 -3.262 -1.729 237 HA LYS 54 HA LYS 54 14.152 -4.717 -0.892 238 1HB LYS 54 1HB LYS 54 13.958 -1.858 -1.938 239 2HB LYS 54 2HB LYS 54 15.428 -2.710 -1.456 240 1HG LYS 54 1HG LYS 54 15.074 -4.348 -3.311 241 2HG LYS 54 2HG LYS 54 13.650 -3.422 -3.831 242 1HD LYS 54 1HD LYS 54 15.083 -1.413 -4.158 243 2HD LYS 54 2HD LYS 54 16.511 -2.386 -3.728 244 1HE LYS 54 1HE LYS 54 15.994 -3.945 -5.604 245 2HE LYS 54 2HE LYS 54 14.582 -2.968 -6.027 246 1HZ LYS 54 1HZ LYS 54 16.094 -1.105 -6.482 247 2HZ LYS 54 2HZ LYS 54 17.398 -2.016 -6.101 248 3HZ LYS 54 3HZ LYS 54 16.494 -2.391 -7.404 249 H GLN 55 H GLN 55 11.458 -3.432 0.386 250 HA GLN 55 HA GLN 55 12.762 -2.872 2.952 251 1HB GLN 55 1HB GLN 55 12.834 -0.664 1.787 252 2HB GLN 55 2HB GLN 55 11.080 -0.703 1.613 253 1HG GLN 55 1HG GLN 55 10.887 -0.779 4.134 254 2HG GLN 55 2HG GLN 55 12.648 -0.665 4.235 255 1HE2 GLN 55 1HE2 GLN 55 9.666 1.066 3.407 256 2HE2 GLN 55 2HE2 GLN 55 10.399 2.667 3.408 257 H CYS 56 H CYS 56 9.547 -2.244 1.453 258 HA CYS 56 HA CYS 56 8.251 -2.929 3.941 259 1HB CYS 56 1HB CYS 56 7.132 -1.965 1.273 260 2HB CYS 56 2HB CYS 56 6.290 -1.959 2.830 261 H ARG 57 H ARG 57 8.753 -4.679 1.017 262 HA ARG 57 HA ARG 57 6.829 -6.828 1.765 263 1HB ARG 57 1HB ARG 57 6.195 -4.865 -0.098 264 2HB ARG 57 2HB ARG 57 6.971 -6.043 -1.129 265 1HG ARG 57 1HG ARG 57 4.924 -7.005 -1.240 266 2HG ARG 57 2HG ARG 57 5.267 -7.671 0.352 267 1HD ARG 57 1HD ARG 57 3.692 -5.169 -0.357 268 2HD ARG 57 2HD ARG 57 3.079 -6.644 0.400 269 HE ARG 57 HE ARG 57 5.097 -5.521 2.092 270 1HH1 ARG 57 1HH1 ARG 57 1.885 -4.630 1.042 271 2HH1 ARG 57 2HH1 ARG 57 1.709 -3.464 2.331 272 1HH2 ARG 57 1HH2 ARG 57 4.764 -4.196 3.739 273 2HH2 ARG 57 2HH2 ARG 57 3.212 -3.407 3.974 274 H SER 58 H SER 58 9.878 -6.388 1.520 275 HA SER 58 HA SER 58 11.180 -7.816 -0.422 276 1HB SER 58 1HB SER 58 11.844 -7.880 2.540 277 2HB SER 58 2HB SER 58 12.960 -8.146 1.188 278 HG SER 58 HG SER 58 13.021 -5.973 2.012 No H/Q in entry = 278 Start of MODEL 18 1 H1 GLN 22 H2 GLN 22 -8.094 -0.647 -6.230 2 H2 GLN 22 H1 GLN 22 -7.193 0.634 -5.766 3 H3 GLN 22 H3 GLN 22 -7.083 0.068 -7.310 4 HA GLN 22 HA GLN 22 -6.135 -2.014 -6.538 5 1HB GLN 22 1HB GLN 22 -4.685 0.464 -5.498 6 2HB GLN 22 2HB GLN 22 -3.987 -1.158 -5.564 7 1HG GLN 22 1HG GLN 22 -4.312 -1.198 -8.036 8 2HG GLN 22 2HG GLN 22 -4.924 0.460 -7.971 9 1HE2 GLN 22 2HE2 GLN 22 -2.941 0.458 -9.615 10 2HE2 GLN 22 1HE2 GLN 22 -1.421 0.931 -8.864 11 H THR 23 H THR 23 -6.257 -3.523 -4.942 12 HA THR 23 HA THR 23 -7.778 -3.230 -2.685 13 HB THR 23 HB THR 23 -5.477 -5.195 -2.934 14 HG1 THR 23 HG1 THR 23 -6.948 -6.431 -4.107 15 1HG2 THR 23 2HG2 THR 23 -8.245 -5.444 -1.661 16 2HG2 THR 23 3HG2 THR 23 -7.043 -6.743 -1.797 17 3HG2 THR 23 1HG2 THR 23 -6.701 -5.345 -0.774 18 H CYS 24 H CYS 24 -7.595 -2.670 -0.606 19 HA CYS 24 HA CYS 24 -5.607 -0.987 0.383 20 1HB CYS 24 1HB CYS 24 -8.015 -1.385 1.136 21 2HB CYS 24 2HB CYS 24 -7.424 -2.794 2.016 22 H TYR 25 H TYR 25 -3.966 -1.180 1.920 23 HA TYR 25 HA TYR 25 -2.506 -3.665 2.261 24 1HB TYR 25 1HB TYR 25 -0.982 -2.456 3.465 25 2HB TYR 25 2HB TYR 25 -1.590 -1.242 2.360 26 HD1 TYR 25 HD1 TYR 25 -0.516 -1.690 5.596 27 HD2 TYR 25 HD2 TYR 25 -3.908 -0.029 3.509 28 HE1 TYR 25 HE1 TYR 25 -1.010 -0.225 7.547 29 HE2 TYR 25 HE2 TYR 25 -4.437 1.351 5.480 30 HH TYR 25 HH TYR 25 -2.436 1.348 8.439 31 H ASN 26 H ASN 26 -5.294 -2.426 3.805 32 HA ASN 26 HA ASN 26 -4.963 -4.211 6.204 33 1HB ASN 26 1HB ASN 26 -4.422 -1.917 6.785 34 2HB ASN 26 2HB ASN 26 -5.857 -1.301 5.971 35 1HD2 ASN 26 1HD2 ASN 26 -7.915 -1.436 7.033 36 2HD2 ASN 26 2HD2 ASN 26 -8.000 -1.912 8.722 37 H CYS 27 H CYS 27 -7.375 -2.368 4.272 38 HA CYS 27 HA CYS 27 -9.589 -3.587 5.613 39 1HB CYS 27 1HB CYS 27 -9.515 -1.834 3.127 40 2HB CYS 27 2HB CYS 27 -10.898 -2.104 4.193 41 H GLY 28 H GLY 28 -7.773 -4.813 3.022 42 1HA GLY 28 2HA GLY 28 -9.338 -7.096 2.558 43 2HA GLY 28 1HA GLY 28 -8.067 -6.497 1.488 44 H LYS 29 H LYS 29 -9.429 -4.009 0.807 45 HA LYS 29 HA LYS 29 -11.835 -4.939 -0.703 46 1HB LYS 29 1HB LYS 29 -12.178 -3.541 1.396 47 2HB LYS 29 2HB LYS 29 -11.390 -2.227 0.559 48 1HG LYS 29 1HG LYS 29 -13.499 -1.663 -0.032 49 2HG LYS 29 2HG LYS 29 -13.287 -2.847 -1.316 50 1HD LYS 29 1HD LYS 29 -14.621 -3.278 1.395 51 2HD LYS 29 2HD LYS 29 -15.437 -3.131 -0.166 52 1HE LYS 29 1HE LYS 29 -14.348 -5.226 -0.940 53 2HE LYS 29 2HE LYS 29 -13.524 -5.378 0.622 54 1HZ LYS 29 1HZ LYS 29 -16.472 -5.413 0.248 55 2HZ LYS 29 2HZ LYS 29 -15.544 -6.719 0.557 56 3HZ LYS 29 3HZ LYS 29 -15.706 -5.553 1.685 57 HA PRO 30 HA PRO 30 -9.244 -3.842 -4.227 58 1HB PRO 30 2HB PRO 30 -11.947 -3.928 -5.574 59 2HB PRO 30 1HB PRO 30 -10.374 -4.561 -6.157 60 1HG PRO 30 1HG PRO 30 -12.155 -6.240 -5.022 61 2HG PRO 30 2HG PRO 30 -10.423 -6.345 -4.565 62 1HD PRO 30 1HD PRO 30 -12.693 -5.044 -3.058 63 2HD PRO 30 2HD PRO 30 -11.343 -6.050 -2.449 64 H GLY 31 H GLY 31 -12.189 -1.948 -3.574 65 1HA GLY 31 2HA GLY 31 -12.858 0.176 -4.147 66 2HA GLY 31 1HA GLY 31 -11.638 0.187 -5.418 67 H HIS 32 H HIS 32 -9.455 -0.271 -3.346 68 HA HIS 32 HA HIS 32 -9.450 2.299 -1.885 69 1HB HIS 32 1HB HIS 32 -7.999 -0.297 -1.625 70 2HB HIS 32 2HB HIS 32 -7.132 1.155 -1.142 71 HD1 HIS 32 HD1 HIS 32 -10.573 -0.472 -0.380 72 HD2 HIS 32 HD2 HIS 32 -7.588 1.976 1.246 73 HE1 HIS 32 HE1 HIS 32 -11.261 -0.021 2.052 74 H LEU 33 H LEU 33 -7.522 3.511 -1.761 75 HA LEU 33 HA LEU 33 -5.869 3.953 -4.144 76 1HB LEU 33 1HB LEU 33 -7.981 5.916 -3.105 77 2HB LEU 33 2HB LEU 33 -6.700 6.364 -4.217 78 HG LEU 33 HG LEU 33 -8.917 4.377 -4.861 79 1HD1 LEU 33 2HD1 LEU 33 -9.746 6.672 -4.585 80 2HD1 LEU 33 3HD1 LEU 33 -8.511 7.268 -5.714 81 3HD1 LEU 33 1HD1 LEU 33 -9.790 6.173 -6.284 82 1HD2 LEU 33 3HD2 LEU 33 -6.779 5.666 -6.625 83 2HD2 LEU 33 1HD2 LEU 33 -6.862 3.946 -6.183 84 3HD2 LEU 33 2HD2 LEU 33 -8.124 4.654 -7.196 85 H SER 34 H SER 34 -4.420 5.876 -3.671 86 HA SER 34 HA SER 34 -3.142 5.858 -1.122 87 1HB SER 34 1HB SER 34 -2.012 7.911 -2.033 88 2HB SER 34 2HB SER 34 -1.963 6.507 -3.115 89 HG SER 34 HG SER 34 -2.556 8.458 -4.207 90 H SER 35 H SER 35 -6.062 7.436 -2.026 91 HA SER 35 HA SER 35 -6.004 9.268 0.323 92 1HB SER 35 1HB SER 35 -7.960 10.305 -0.791 93 2HB SER 35 2HB SER 35 -6.507 10.315 -1.806 94 HG SER 35 HG SER 35 -8.396 9.627 -2.952 95 H GLN 36 H GLN 36 -7.191 6.176 -0.520 96 HA GLN 36 HA GLN 36 -9.661 6.339 1.104 97 1HB GLN 36 1HB GLN 36 -9.287 5.015 -1.134 98 2HB GLN 36 2HB GLN 36 -8.459 3.846 -0.112 99 1HG GLN 36 1HG GLN 36 -10.629 2.988 -0.163 100 2HG GLN 36 2HG GLN 36 -10.697 3.924 1.319 101 1HE2 GLN 36 1HE2 GLN 36 -11.861 3.640 -2.035 102 2HE2 GLN 36 2HE2 GLN 36 -13.003 4.967 -1.903 103 H CYS 37 H CYS 37 -6.423 4.898 1.218 104 HA CYS 37 HA CYS 37 -6.418 4.951 4.138 105 1HB CYS 37 1HB CYS 37 -6.062 2.411 2.523 106 2HB CYS 37 2HB CYS 37 -5.073 2.646 3.928 107 H ARG 38 H ARG 38 -4.068 4.382 4.868 108 HA ARG 38 HA ARG 38 -2.231 6.279 3.861 109 1HB ARG 38 1HB ARG 38 -1.762 3.749 5.505 110 2HB ARG 38 2HB ARG 38 -0.504 4.897 5.086 111 1HG ARG 38 1HG ARG 38 -0.933 5.749 7.069 112 2HG ARG 38 2HG ARG 38 -2.137 6.686 6.206 113 1HD ARG 38 1HD ARG 38 -2.796 4.036 7.565 114 2HD ARG 38 2HD ARG 38 -2.692 5.527 8.479 115 HE ARG 38 HE ARG 38 -4.488 6.494 7.127 116 1HH1 ARG 38 1HH1 ARG 38 -4.389 2.962 7.231 117 2HH1 ARG 38 2HH1 ARG 38 -6.041 2.866 6.656 118 1HH2 ARG 38 2HH2 ARG 38 -6.642 6.214 6.678 119 2HH2 ARG 38 1HH2 ARG 38 -7.265 4.607 6.431 120 H ALA 39 H ALA 39 -2.588 2.886 2.848 121 HA ALA 39 HA ALA 39 -1.377 3.553 0.305 122 1HB ALA 39 1HB ALA 39 0.675 3.062 1.634 123 2HB ALA 39 2HB ALA 39 -0.021 1.489 2.102 124 3HB ALA 39 3HB ALA 39 0.407 1.805 0.416 125 HA PRO 40 HA PRO 40 -3.672 -0.306 -0.785 126 1HB PRO 40 2HB PRO 40 -2.580 -0.897 -3.202 127 2HB PRO 40 1HB PRO 40 -3.692 0.486 -2.977 128 1HG PRO 40 1HG PRO 40 -0.658 0.530 -3.030 129 2HG PRO 40 2HG PRO 40 -1.793 1.582 -3.933 130 1HD PRO 40 1HD PRO 40 -0.629 2.324 -1.564 131 2HD PRO 40 2HD PRO 40 -2.271 2.860 -2.024 132 H LYS 41 H LYS 41 -2.975 -2.578 -1.364 133 HA LYS 41 HA LYS 41 -1.251 -3.701 0.521 134 1HB LYS 41 1HB LYS 41 -3.222 -4.676 -0.797 135 2HB LYS 41 2HB LYS 41 -2.079 -5.017 -2.095 136 1HG LYS 41 1HG LYS 41 -0.806 -6.505 -0.591 137 2HG LYS 41 2HG LYS 41 -1.847 -6.045 0.775 138 1HD LYS 41 1HD LYS 41 -3.814 -6.977 -0.441 139 2HD LYS 41 2HD LYS 41 -2.760 -7.497 -1.760 140 1HE LYS 41 1HE LYS 41 -2.530 -8.410 1.149 141 2HE LYS 41 2HE LYS 41 -3.388 -9.297 -0.113 142 1HZ LYS 41 1HZ LYS 41 -1.281 -9.497 -1.326 143 2HZ LYS 41 2HZ LYS 41 -0.475 -8.708 -0.138 144 3HZ LYS 41 3HZ LYS 41 -1.154 -10.159 0.157 145 H VAL 42 H VAL 42 -0.220 -2.304 -2.382 146 HA VAL 42 HA VAL 42 2.298 -3.531 -2.899 147 HB VAL 42 HB VAL 42 1.495 -0.593 -3.029 148 1HG1 VAL 42 1HG1 VAL 42 3.739 -2.089 -4.438 149 2HG1 VAL 42 2HG1 VAL 42 3.232 -0.424 -4.803 150 3HG1 VAL 42 3HG1 VAL 42 3.920 -0.799 -3.226 151 1HG2 VAL 42 1HG2 VAL 42 1.354 -2.771 -5.162 152 2HG2 VAL 42 2HG2 VAL 42 -0.034 -1.960 -4.403 153 3HG2 VAL 42 3HG2 VAL 42 1.056 -1.041 -5.436 154 H CYS 43 H CYS 43 1.287 -1.334 -0.288 155 HA CYS 43 HA CYS 43 3.918 -1.543 1.060 156 1HB CYS 43 1HB CYS 43 3.927 0.318 -0.653 157 2HB CYS 43 2HB CYS 43 2.638 1.109 0.260 158 H PHE 44 H PHE 44 3.271 0.643 2.761 159 HA PHE 44 HA PHE 44 0.672 0.116 4.061 160 1HB PHE 44 1HB PHE 44 1.515 -0.202 6.228 161 2HB PHE 44 2HB PHE 44 2.444 -1.294 5.220 162 HD1 PHE 44 HD1 PHE 44 2.540 1.519 7.519 163 HD2 PHE 44 HD2 PHE 44 4.851 -0.613 4.562 164 HE1 PHE 44 HE1 PHE 44 4.614 2.583 8.373 165 HE2 PHE 44 HE2 PHE 44 6.922 0.456 5.422 166 HZ PHE 44 HZ PHE 44 6.807 2.059 7.319 167 H LYS 45 H LYS 45 3.317 2.303 3.330 168 HA LYS 45 HA LYS 45 1.637 4.634 3.977 169 1HB LYS 45 1HB LYS 45 2.717 4.016 6.151 170 2HB LYS 45 2HB LYS 45 4.306 4.207 5.405 171 1HG LYS 45 1HG LYS 45 3.797 6.618 4.987 172 2HG LYS 45 2HG LYS 45 2.192 6.391 5.715 173 1HD LYS 45 1HD LYS 45 3.275 5.725 7.859 174 2HD LYS 45 2HD LYS 45 4.872 5.970 7.118 175 1HE LYS 45 1HE LYS 45 4.292 8.357 6.691 176 2HE LYS 45 2HE LYS 45 2.717 8.107 7.454 177 1HZ LYS 45 3HZ LYS 45 3.888 7.562 9.529 178 2HZ LYS 45 1HZ LYS 45 5.343 7.804 8.820 179 3HZ LYS 45 2HZ LYS 45 4.312 9.053 9.021 180 H CYS 46 H CYS 46 5.072 3.795 3.180 181 HA CYS 46 HA CYS 46 5.515 6.298 1.917 182 1HB CYS 46 1HB CYS 46 7.709 5.000 1.241 183 2HB CYS 46 2HB CYS 46 7.386 5.522 2.891 184 H LYS 47 H LYS 47 4.652 3.192 0.516 185 HA LYS 47 HA LYS 47 4.133 2.524 -1.613 186 1HB LYS 47 1HB LYS 47 2.101 3.629 -2.340 187 2HB LYS 47 2HB LYS 47 2.167 3.420 -0.595 188 1HG LYS 47 1HG LYS 47 2.813 5.801 -0.323 189 2HG LYS 47 2HG LYS 47 2.717 6.036 -2.069 190 1HD LYS 47 1HD LYS 47 0.352 5.654 -2.075 191 2HD LYS 47 2HD LYS 47 0.356 5.028 -0.420 192 1HE LYS 47 1HE LYS 47 1.207 7.872 -1.108 193 2HE LYS 47 2HE LYS 47 -0.468 7.441 -0.740 194 1HZ LYS 47 2HZ LYS 47 1.785 6.956 1.142 195 2HZ LYS 47 3HZ LYS 47 0.723 8.207 1.247 196 3HZ LYS 47 1HZ LYS 47 0.217 6.656 1.425 197 H GLN 48 H GLN 48 6.612 4.141 -1.908 198 HA GLN 48 HA GLN 48 6.422 5.582 -4.374 199 1HB GLN 48 1HB GLN 48 8.847 4.257 -3.087 200 2HB GLN 48 2HB GLN 48 8.909 5.418 -4.404 201 1HG GLN 48 1HG GLN 48 7.955 5.950 -1.563 202 2HG GLN 48 2HG GLN 48 9.433 6.520 -2.310 203 1HE2 GLN 48 2HE2 GLN 48 6.127 7.284 -1.736 204 2HE2 GLN 48 1HE2 GLN 48 6.065 8.698 -2.794 205 HA PRO 49 HA PRO 49 5.887 2.846 -7.577 206 1HB PRO 49 2HB PRO 49 8.412 3.839 -8.914 207 2HB PRO 49 1HB PRO 49 6.787 3.588 -9.629 208 1HG PRO 49 1HG PRO 49 7.545 6.062 -8.880 209 2HG PRO 49 2HG PRO 49 5.902 5.475 -8.459 210 1HD PRO 49 1HD PRO 49 8.354 5.630 -6.708 211 2HD PRO 49 2HD PRO 49 6.657 6.044 -6.339 212 H GLY 50 H GLY 50 9.108 2.295 -6.253 213 1HA GLY 50 2HA GLY 50 10.277 0.293 -7.589 214 2HA GLY 50 1HA GLY 50 8.872 -0.583 -6.986 215 H HIS 51 H HIS 51 9.621 1.586 -4.568 216 HA HIS 51 HA HIS 51 11.951 0.524 -3.357 217 1HB HIS 51 1HB HIS 51 11.404 1.891 -1.540 218 2HB HIS 51 2HB HIS 51 10.688 2.737 -2.904 219 HD1 HIS 51 HD1 HIS 51 7.788 1.883 -3.133 220 HD2 HIS 51 HD2 HIS 51 9.916 1.467 0.481 221 HE1 HIS 51 HE1 HIS 51 6.075 1.348 -1.341 222 H PHE 52 H PHE 52 8.665 -0.676 -3.271 223 HA PHE 52 HA PHE 52 8.590 -1.733 -0.688 224 1HB PHE 52 1HB PHE 52 6.650 -3.089 -1.619 225 2HB PHE 52 2HB PHE 52 6.559 -1.348 -1.729 226 HD1 PHE 52 HD1 PHE 52 6.524 -0.191 -3.865 227 HD2 PHE 52 HD2 PHE 52 6.996 -4.477 -3.690 228 HE1 PHE 52 HE1 PHE 52 6.084 -0.341 -6.294 229 HE2 PHE 52 HE2 PHE 52 6.575 -4.616 -6.130 230 HZ PHE 52 HZ PHE 52 6.122 -2.548 -7.439 231 H SER 53 H SER 53 9.529 -3.451 -3.686 232 HA SER 53 HA SER 53 9.829 -6.037 -2.604 233 1HB SER 53 1HB SER 53 11.383 -4.745 -4.878 234 2HB SER 53 2HB SER 53 11.200 -6.488 -4.587 235 HG SER 53 HG SER 53 9.697 -5.715 -6.138 236 H LYS 54 H LYS 54 11.711 -3.359 -1.767 237 HA LYS 54 HA LYS 54 13.822 -5.081 -0.563 238 1HB LYS 54 1HB LYS 54 15.537 -3.448 -1.174 239 2HB LYS 54 2HB LYS 54 14.778 -4.144 -2.597 240 1HG LYS 54 1HG LYS 54 13.488 -2.161 -3.029 241 2HG LYS 54 2HG LYS 54 13.910 -1.443 -1.470 242 1HD LYS 54 1HD LYS 54 15.966 -2.059 -3.629 243 2HD LYS 54 2HD LYS 54 15.116 -0.509 -3.487 244 1HE LYS 54 1HE LYS 54 15.960 -0.241 -1.168 245 2HE LYS 54 2HE LYS 54 16.843 -1.765 -1.305 246 1HZ LYS 54 2HZ LYS 54 17.321 0.630 -3.001 247 2HZ LYS 54 3HZ LYS 54 18.273 0.144 -1.769 248 3HZ LYS 54 1HZ LYS 54 18.146 -0.777 -3.109 249 H GLN 55 H GLN 55 11.324 -3.542 0.424 250 HA GLN 55 HA GLN 55 12.635 -2.663 2.908 251 1HB GLN 55 1HB GLN 55 12.542 -0.616 1.391 252 2HB GLN 55 2HB GLN 55 10.780 -0.723 1.471 253 1HG GLN 55 1HG GLN 55 11.007 -0.585 4.025 254 2HG GLN 55 2HG GLN 55 12.728 -0.283 3.785 255 1HE2 GLN 55 1HE2 GLN 55 9.467 1.003 3.434 256 2HE2 GLN 55 2HE2 GLN 55 9.952 2.665 3.132 257 H CYS 56 H CYS 56 9.464 -2.886 1.220 258 HA CYS 56 HA CYS 56 8.123 -3.207 3.860 259 1HB CYS 56 1HB CYS 56 7.089 -2.176 1.188 260 2HB CYS 56 2HB CYS 56 6.179 -2.248 2.701 261 H ARG 57 H ARG 57 8.549 -4.828 0.810 262 HA ARG 57 HA ARG 57 6.698 -7.072 1.566 263 1HB ARG 57 1HB ARG 57 7.339 -5.981 -1.208 264 2HB ARG 57 2HB ARG 57 6.293 -7.349 -0.873 265 1HG ARG 57 1HG ARG 57 5.687 -4.469 -0.099 266 2HG ARG 57 2HG ARG 57 5.083 -5.327 -1.508 267 1HD ARG 57 1HD ARG 57 3.291 -5.596 -0.162 268 2HD ARG 57 2HD ARG 57 4.166 -7.058 0.284 269 HE ARG 57 HE ARG 57 5.089 -5.724 2.237 270 1HH1 ARG 57 1HH2 ARG 57 2.002 -4.630 0.931 271 2HH1 ARG 57 2HH2 ARG 57 1.774 -3.537 2.268 272 1HH2 ARG 57 1HH1 ARG 57 4.659 -4.474 3.892 273 2HH2 ARG 57 2HH1 ARG 57 3.129 -3.628 4.022 274 H SER 58 H SER 58 9.775 -6.444 1.695 275 HA SER 58 HA SER 58 11.379 -7.975 0.095 276 1HB SER 58 1HB SER 58 11.673 -7.691 3.104 277 2HB SER 58 2HB SER 58 12.962 -8.032 1.934 278 HG SER 58 HG SER 58 12.830 -5.787 2.494 No H/Q in entry = 278 Start of MODEL 19 1 H1 GLN 22 H3 GLN 22 -7.984 -0.495 -6.202 2 H2 GLN 22 H2 GLN 22 -7.112 0.793 -5.697 3 H3 GLN 22 H1 GLN 22 -6.989 0.280 -7.257 4 HA GLN 22 HA GLN 22 -5.972 -1.792 -6.561 5 1HB GLN 22 1HB GLN 22 -4.630 0.694 -5.404 6 2HB GLN 22 2HB GLN 22 -3.862 -0.892 -5.528 7 1HG GLN 22 1HG GLN 22 -4.165 -0.856 -7.995 8 2HG GLN 22 2HG GLN 22 -4.836 0.778 -7.888 9 1HE2 GLN 22 2HE2 GLN 22 -2.134 -0.542 -8.961 10 2HE2 GLN 22 1HE2 GLN 22 -0.953 0.606 -8.340 11 H THR 23 H THR 23 -6.200 -3.374 -5.053 12 HA THR 23 HA THR 23 -7.724 -3.158 -2.797 13 HB THR 23 HB THR 23 -5.471 -5.163 -3.136 14 HG1 THR 23 HG1 THR 23 -6.978 -6.304 -4.357 15 1HG2 THR 23 3HG2 THR 23 -8.232 -5.394 -1.846 16 2HG2 THR 23 1HG2 THR 23 -7.075 -6.723 -2.060 17 3HG2 THR 23 2HG2 THR 23 -6.677 -5.387 -0.977 18 H CYS 24 H CYS 24 -7.561 -2.667 -0.709 19 HA CYS 24 HA CYS 24 -5.600 -1.021 0.345 20 1HB CYS 24 1HB CYS 24 -8.005 -1.462 1.067 21 2HB CYS 24 2HB CYS 24 -7.409 -2.884 1.920 22 H TYR 25 H TYR 25 -3.975 -1.207 1.894 23 HA TYR 25 HA TYR 25 -2.486 -3.681 2.204 24 1HB TYR 25 1HB TYR 25 -0.960 -2.474 3.386 25 2HB TYR 25 2HB TYR 25 -1.600 -1.241 2.324 26 HD1 TYR 25 HD1 TYR 25 -0.442 -1.751 5.509 27 HD2 TYR 25 HD2 TYR 25 -3.905 -0.067 3.554 28 HE1 TYR 25 HE1 TYR 25 -0.902 -0.352 7.513 29 HE2 TYR 25 HE2 TYR 25 -4.385 1.274 5.574 30 HH TYR 25 HH TYR 25 -2.310 1.171 8.488 31 H ASN 26 H ASN 26 -5.294 -2.514 3.748 32 HA ASN 26 HA ASN 26 -4.943 -4.334 6.117 33 1HB ASN 26 1HB ASN 26 -4.457 -2.038 6.750 34 2HB ASN 26 2HB ASN 26 -5.902 -1.439 5.942 35 1HD2 ASN 26 2HD2 ASN 26 -7.962 -1.649 6.988 36 2HD2 ASN 26 1HD2 ASN 26 -8.046 -2.169 8.665 37 H CYS 27 H CYS 27 -7.375 -2.502 4.202 38 HA CYS 27 HA CYS 27 -9.576 -3.808 5.491 39 1HB CYS 27 1HB CYS 27 -9.521 -1.973 3.067 40 2HB CYS 27 2HB CYS 27 -10.902 -2.296 4.123 41 H GLY 28 H GLY 28 -7.724 -4.846 2.828 42 1HA GLY 28 2HA GLY 28 -9.235 -7.152 2.260 43 2HA GLY 28 1HA GLY 28 -7.951 -6.490 1.248 44 H LYS 29 H LYS 29 -9.605 -3.960 0.835 45 HA LYS 29 HA LYS 29 -11.810 -4.994 -0.896 46 1HB LYS 29 1HB LYS 29 -12.442 -3.718 1.115 47 2HB LYS 29 2HB LYS 29 -11.549 -2.324 0.510 48 1HG LYS 29 1HG LYS 29 -13.055 -2.286 -1.511 49 2HG LYS 29 2HG LYS 29 -13.939 -3.665 -0.829 50 1HD LYS 29 1HD LYS 29 -14.468 -2.244 1.199 51 2HD LYS 29 2HD LYS 29 -13.628 -0.898 0.424 52 1HE LYS 29 1HE LYS 29 -15.930 -0.527 0.031 53 2HE LYS 29 2HE LYS 29 -15.250 -1.061 -1.506 54 1HZ LYS 29 2HZ LYS 29 -16.760 -2.787 0.393 55 2HZ LYS 29 3HZ LYS 29 -17.355 -2.180 -0.996 56 3HZ LYS 29 1HZ LYS 29 -16.162 -3.288 -1.044 57 HA PRO 30 HA PRO 30 -9.253 -3.693 -4.361 58 1HB PRO 30 2HB PRO 30 -11.950 -3.565 -5.717 59 2HB PRO 30 1HB PRO 30 -10.411 -4.249 -6.329 60 1HG PRO 30 1HG PRO 30 -12.308 -5.881 -5.311 61 2HG PRO 30 2HG PRO 30 -10.586 -6.133 -4.870 62 1HD PRO 30 1HD PRO 30 -12.768 -4.801 -3.262 63 2HD PRO 30 2HD PRO 30 -11.481 -5.929 -2.739 64 H GLY 31 H GLY 31 -12.157 -1.789 -3.604 65 1HA GLY 31 2HA GLY 31 -12.807 0.370 -4.035 66 2HA GLY 31 1HA GLY 31 -11.569 0.458 -5.285 67 H HIS 32 H HIS 32 -9.293 0.016 -3.555 68 HA HIS 32 HA HIS 32 -9.313 2.426 -1.805 69 1HB HIS 32 1HB HIS 32 -7.905 -0.211 -1.651 70 2HB HIS 32 2HB HIS 32 -7.074 1.211 -1.027 71 HD1 HIS 32 HD1 HIS 32 -10.434 -0.629 -0.496 72 HD2 HIS 32 HD2 HIS 32 -7.712 1.967 1.356 73 HE1 HIS 32 HE1 HIS 32 -11.263 -0.312 1.917 74 H LEU 33 H LEU 33 -7.507 3.688 -1.644 75 HA LEU 33 HA LEU 33 -5.636 4.133 -3.846 76 1HB LEU 33 1HB LEU 33 -7.977 5.997 -3.171 77 2HB LEU 33 2HB LEU 33 -6.585 6.499 -4.116 78 HG LEU 33 HG LEU 33 -8.588 4.379 -4.984 79 1HD1 LEU 33 3HD1 LEU 33 -9.531 6.644 -4.925 80 2HD1 LEU 33 1HD1 LEU 33 -8.171 7.250 -5.897 81 3HD1 LEU 33 2HD1 LEU 33 -9.318 6.079 -6.589 82 1HD2 LEU 33 3HD2 LEU 33 -6.266 5.692 -6.479 83 2HD2 LEU 33 1HD2 LEU 33 -6.350 3.986 -5.985 84 3HD2 LEU 33 2HD2 LEU 33 -7.479 4.608 -7.193 85 H SER 34 H SER 34 -4.351 6.165 -3.276 86 HA SER 34 HA SER 34 -3.363 6.374 -0.664 87 1HB SER 34 1HB SER 34 -3.530 8.556 -2.778 88 2HB SER 34 2HB SER 34 -2.372 8.475 -1.438 89 HG SER 34 HG SER 34 -1.606 7.682 -3.540 90 H SER 35 H SER 35 -6.356 7.693 -1.857 91 HA SER 35 HA SER 35 -6.712 9.569 0.410 92 1HB SER 35 1HB SER 35 -8.749 10.216 -0.875 93 2HB SER 35 2HB SER 35 -7.245 10.404 -1.792 94 HG SER 35 HG SER 35 -8.911 9.363 -3.011 95 H GLN 36 H GLN 36 -7.321 6.292 -0.164 96 HA GLN 36 HA GLN 36 -9.864 6.227 1.401 97 1HB GLN 36 1HB GLN 36 -9.488 5.065 -0.920 98 2HB GLN 36 2HB GLN 36 -8.543 3.898 -0.001 99 1HG GLN 36 1HG GLN 36 -10.660 2.910 -0.064 100 2HG GLN 36 2HG GLN 36 -10.694 3.692 1.508 101 1HE2 GLN 36 2HE2 GLN 36 -12.060 3.601 -1.748 102 2HE2 GLN 36 1HE2 GLN 36 -13.273 4.845 -1.453 103 H CYS 37 H CYS 37 -6.565 4.876 1.317 104 HA CYS 37 HA CYS 37 -6.428 4.844 4.238 105 1HB CYS 37 1HB CYS 37 -6.035 2.354 2.532 106 2HB CYS 37 2HB CYS 37 -5.133 2.567 4.009 107 H ARG 38 H ARG 38 -4.055 4.314 4.864 108 HA ARG 38 HA ARG 38 -2.302 6.255 3.792 109 1HB ARG 38 1HB ARG 38 -1.656 3.724 5.374 110 2HB ARG 38 2HB ARG 38 -0.506 4.992 4.983 111 1HG ARG 38 1HG ARG 38 -0.988 5.688 7.031 112 2HG ARG 38 2HG ARG 38 -2.238 6.597 6.202 113 1HD ARG 38 1HD ARG 38 -2.748 3.840 7.391 114 2HD ARG 38 2HD ARG 38 -2.747 5.273 8.404 115 HE ARG 38 HE ARG 38 -4.538 6.196 6.857 116 1HH1 ARG 38 1HH2 ARG 38 -4.365 2.735 7.553 117 2HH1 ARG 38 2HH2 ARG 38 -6.083 2.555 7.309 118 1HH2 ARG 38 2HH1 ARG 38 -6.718 5.843 6.656 119 2HH2 ARG 38 1HH1 ARG 38 -7.333 4.220 6.735 120 H ALA 39 H ALA 39 -2.601 2.844 2.821 121 HA ALA 39 HA ALA 39 -1.401 3.480 0.259 122 1HB ALA 39 2HB ALA 39 0.647 3.059 1.604 123 2HB ALA 39 3HB ALA 39 -0.024 1.494 2.130 124 3HB ALA 39 1HB ALA 39 0.408 1.750 0.435 125 HA PRO 40 HA PRO 40 -3.631 -0.416 -0.787 126 1HB PRO 40 2HB PRO 40 -2.536 -1.015 -3.194 127 2HB PRO 40 1HB PRO 40 -3.640 0.376 -2.981 128 1HG PRO 40 1HG PRO 40 -0.605 0.405 -3.011 129 2HG PRO 40 2HG PRO 40 -1.727 1.451 -3.937 130 1HD PRO 40 1HD PRO 40 -0.590 2.215 -1.564 131 2HD PRO 40 2HD PRO 40 -2.227 2.746 -2.048 132 H LYS 41 H LYS 41 -2.911 -2.687 -1.371 133 HA LYS 41 HA LYS 41 -1.203 -3.820 0.514 134 1HB LYS 41 1HB LYS 41 -3.122 -4.823 -0.810 135 2HB LYS 41 2HB LYS 41 -2.000 -5.061 -2.150 136 1HG LYS 41 1HG LYS 41 -0.645 -6.586 -0.767 137 2HG LYS 41 2HG LYS 41 -1.648 -6.224 0.655 138 1HD LYS 41 1HD LYS 41 -3.612 -7.218 -0.481 139 2HD LYS 41 2HD LYS 41 -2.619 -7.549 -1.921 140 1HE LYS 41 1HE LYS 41 -1.120 -8.982 -0.543 141 2HE LYS 41 2HE LYS 41 -2.120 -8.664 0.880 142 1HZ LYS 41 3HZ LYS 41 -3.055 -10.041 -1.586 143 2HZ LYS 41 1HZ LYS 41 -2.715 -10.772 -0.169 144 3HZ LYS 41 2HZ LYS 41 -3.980 -9.749 -0.270 145 H VAL 42 H VAL 42 -0.117 -2.355 -2.340 146 HA VAL 42 HA VAL 42 2.422 -3.559 -2.813 147 HB VAL 42 HB VAL 42 1.597 -0.628 -2.943 148 1HG1 VAL 42 1HG1 VAL 42 3.863 -2.105 -4.330 149 2HG1 VAL 42 2HG1 VAL 42 3.361 -0.436 -4.683 150 3HG1 VAL 42 3HG1 VAL 42 4.030 -0.829 -3.101 151 1HG2 VAL 42 3HG2 VAL 42 1.504 -2.796 -5.087 152 2HG2 VAL 42 1HG2 VAL 42 0.098 -1.993 -4.350 153 3HG2 VAL 42 2HG2 VAL 42 1.203 -1.067 -5.361 154 H CYS 43 H CYS 43 1.354 -1.343 -0.233 155 HA CYS 43 HA CYS 43 3.981 -1.480 1.144 156 1HB CYS 43 1HB CYS 43 3.975 0.319 -0.625 157 2HB CYS 43 2HB CYS 43 2.653 1.113 0.237 158 H PHE 44 H PHE 44 3.379 0.669 2.828 159 HA PHE 44 HA PHE 44 0.742 0.224 4.104 160 1HB PHE 44 1HB PHE 44 1.573 -0.029 6.282 161 2HB PHE 44 2HB PHE 44 2.510 -1.152 5.315 162 HD1 PHE 44 HD1 PHE 44 2.589 1.747 7.514 163 HD2 PHE 44 HD2 PHE 44 4.922 -0.495 4.659 164 HE1 PHE 44 HE1 PHE 44 4.656 2.840 8.343 165 HE2 PHE 44 HE2 PHE 44 6.986 0.601 5.497 166 HZ PHE 44 HZ PHE 44 6.858 2.274 7.330 167 H LYS 45 H LYS 45 3.303 2.390 3.170 168 HA LYS 45 HA LYS 45 1.675 4.737 3.868 169 1HB LYS 45 1HB LYS 45 2.873 4.205 5.987 170 2HB LYS 45 2HB LYS 45 4.420 4.329 5.150 171 1HG LYS 45 1HG LYS 45 3.955 6.731 4.670 172 2HG LYS 45 2HG LYS 45 2.376 6.577 5.469 173 1HD LYS 45 1HD LYS 45 3.519 5.977 7.595 174 2HD LYS 45 2HD LYS 45 5.096 6.129 6.787 175 1HE LYS 45 1HE LYS 45 4.593 8.515 6.279 176 2HE LYS 45 2HE LYS 45 3.029 8.359 7.090 177 1HZ LYS 45 3HZ LYS 45 4.229 7.864 9.159 178 2HZ LYS 45 1HZ LYS 45 5.674 8.014 8.407 179 3HZ LYS 45 2HZ LYS 45 4.699 9.311 8.572 180 H CYS 46 H CYS 46 5.094 3.971 2.965 181 HA CYS 46 HA CYS 46 5.370 6.415 1.551 182 1HB CYS 46 1HB CYS 46 7.619 5.159 0.891 183 2HB CYS 46 2HB CYS 46 7.318 5.839 2.486 184 H LYS 47 H LYS 47 4.609 3.208 0.345 185 HA LYS 47 HA LYS 47 4.116 2.397 -1.746 186 1HB LYS 47 1HB LYS 47 2.048 3.403 -2.529 187 2HB LYS 47 2HB LYS 47 2.125 3.266 -0.778 188 1HG LYS 47 1HG LYS 47 2.705 5.682 -0.612 189 2HG LYS 47 2HG LYS 47 2.562 5.835 -2.365 190 1HD LYS 47 1HD LYS 47 0.209 5.350 -2.289 191 2HD LYS 47 2HD LYS 47 0.286 4.819 -0.601 192 1HE LYS 47 1HE LYS 47 1.004 7.648 -1.471 193 2HE LYS 47 2HE LYS 47 -0.642 7.169 -1.045 194 1HZ LYS 47 2HZ LYS 47 1.656 6.868 0.820 195 2HZ LYS 47 3HZ LYS 47 0.574 8.104 0.866 196 3HZ LYS 47 1HZ LYS 47 0.099 6.559 1.149 197 H GLN 48 H GLN 48 6.546 4.035 -2.138 198 HA GLN 48 HA GLN 48 6.324 5.336 -4.682 199 1HB GLN 48 1HB GLN 48 8.776 4.156 -3.308 200 2HB GLN 48 2HB GLN 48 8.816 5.235 -4.694 201 1HG GLN 48 1HG GLN 48 7.831 5.915 -1.896 202 2HG GLN 48 2HG GLN 48 9.299 6.478 -2.670 203 1HE2 GLN 48 2HE2 GLN 48 5.970 7.189 -2.158 204 2HE2 GLN 48 1HE2 GLN 48 5.876 8.532 -3.303 205 HA PRO 49 HA PRO 49 5.896 2.401 -7.722 206 1HB PRO 49 2HB PRO 49 8.401 3.389 -9.102 207 2HB PRO 49 1HB PRO 49 6.787 3.050 -9.808 208 1HG PRO 49 1HG PRO 49 7.469 5.585 -9.201 209 2HG PRO 49 2HG PRO 49 5.842 4.976 -8.751 210 1HD PRO 49 1HD PRO 49 8.282 5.296 -7.006 211 2HD PRO 49 2HD PRO 49 6.574 5.690 -6.666 212 H GLY 50 H GLY 50 9.094 1.999 -6.308 213 1HA GLY 50 2HA GLY 50 10.354 -0.026 -7.528 214 2HA GLY 50 1HA GLY 50 8.954 -0.912 -6.925 215 H HIS 51 H HIS 51 9.685 1.426 -4.619 216 HA HIS 51 HA HIS 51 11.980 0.445 -3.317 217 1HB HIS 51 1HB HIS 51 11.394 1.900 -1.580 218 2HB HIS 51 2HB HIS 51 10.700 2.662 -3.002 219 HD1 HIS 51 HD1 HIS 51 7.811 1.716 -3.239 220 HD2 HIS 51 HD2 HIS 51 9.863 1.688 0.445 221 HE1 HIS 51 HE1 HIS 51 6.070 1.311 -1.441 222 H PHE 52 H PHE 52 8.708 -0.793 -3.167 223 HA PHE 52 HA PHE 52 8.673 -1.839 -0.564 224 1HB PHE 52 1HB PHE 52 6.745 -3.210 -1.468 225 2HB PHE 52 2HB PHE 52 6.637 -1.473 -1.629 226 HD1 PHE 52 HD1 PHE 52 6.603 -0.379 -3.801 227 HD2 PHE 52 HD2 PHE 52 7.096 -4.655 -3.498 228 HE1 PHE 52 HE1 PHE 52 6.168 -0.601 -6.224 229 HE2 PHE 52 HE2 PHE 52 6.677 -4.867 -5.932 230 HZ PHE 52 HZ PHE 52 6.218 -2.841 -7.304 231 H SER 53 H SER 53 9.633 -3.509 -3.583 232 HA SER 53 HA SER 53 10.010 -6.093 -2.526 233 1HB SER 53 1HB SER 53 11.498 -4.742 -4.809 234 2HB SER 53 2HB SER 53 11.383 -6.490 -4.525 235 HG SER 53 HG SER 53 9.834 -5.773 -6.051 236 H LYS 54 H LYS 54 11.864 -3.373 -1.720 237 HA LYS 54 HA LYS 54 14.019 -5.081 -0.549 238 1HB LYS 54 1HB LYS 54 15.664 -3.354 -1.064 239 2HB LYS 54 2HB LYS 54 14.938 -4.006 -2.526 240 1HG LYS 54 1HG LYS 54 13.563 -2.055 -2.853 241 2HG LYS 54 2HG LYS 54 13.974 -1.397 -1.263 242 1HD LYS 54 1HD LYS 54 16.028 -1.844 -3.466 243 2HD LYS 54 2HD LYS 54 15.133 -0.332 -3.245 244 1HE LYS 54 1HE LYS 54 15.995 -0.126 -0.934 245 2HE LYS 54 2HE LYS 54 16.906 -1.627 -1.126 246 1HZ LYS 54 2HZ LYS 54 17.330 0.830 -2.744 247 2HZ LYS 54 3HZ LYS 54 18.296 0.325 -1.532 248 3HZ LYS 54 1HZ LYS 54 18.182 -0.557 -2.899 249 H GLN 55 H GLN 55 11.447 -3.445 0.377 250 HA GLN 55 HA GLN 55 12.631 -2.812 3.003 251 1HB GLN 55 1HB GLN 55 12.814 -0.703 1.673 252 2HB GLN 55 2HB GLN 55 11.068 -0.697 1.451 253 1HG GLN 55 1HG GLN 55 10.817 -0.608 3.974 254 2HG GLN 55 2HG GLN 55 12.576 -0.528 4.103 255 1HE2 GLN 55 1HE2 GLN 55 9.653 1.262 3.330 256 2HE2 GLN 55 2HE2 GLN 55 10.448 2.822 3.140 257 H CYS 56 H CYS 56 9.469 -1.815 1.687 258 HA CYS 56 HA CYS 56 8.161 -2.677 4.017 259 1HB CYS 56 1HB CYS 56 7.043 -1.724 1.343 260 2HB CYS 56 2HB CYS 56 6.189 -1.724 2.898 261 H ARG 57 H ARG 57 8.659 -4.456 1.100 262 HA ARG 57 HA ARG 57 6.831 -6.643 1.987 263 1HB ARG 57 1HB ARG 57 6.191 -4.877 -0.073 264 2HB ARG 57 2HB ARG 57 7.020 -6.136 -0.956 265 1HG ARG 57 1HG ARG 57 4.975 -7.115 -1.022 266 2HG ARG 57 2HG ARG 57 5.325 -7.658 0.616 267 1HD ARG 57 1HD ARG 57 3.716 -5.229 -0.271 268 2HD ARG 57 2HD ARG 57 3.108 -6.669 0.556 269 HE ARG 57 HE ARG 57 5.088 -5.413 2.207 270 1HH1 ARG 57 2HH1 ARG 57 1.864 -4.645 1.077 271 2HH1 ARG 57 1HH1 ARG 57 1.642 -3.460 2.339 272 1HH2 ARG 57 2HH2 ARG 57 4.683 -4.049 3.809 273 2HH2 ARG 57 1HH2 ARG 57 3.098 -3.309 3.994 274 H SER 58 H SER 58 9.837 -6.067 1.828 275 HA SER 58 HA SER 58 11.202 -7.816 0.065 276 1HB SER 58 1HB SER 58 12.168 -5.988 1.506 277 2HB SER 58 2HB SER 58 12.002 -7.071 2.903 278 HG SER 58 HG SER 58 14.093 -7.263 1.959 No H/Q in entry = 278 Start of MODEL 20 1 H1 GLN 22 H2 GLN 22 -8.109 -0.567 -6.214 2 H2 GLN 22 H1 GLN 22 -7.193 0.699 -5.734 3 H3 GLN 22 H3 GLN 22 -7.099 0.158 -7.288 4 HA GLN 22 HA GLN 22 -6.157 -1.942 -6.556 5 1HB GLN 22 1HB GLN 22 -4.690 0.510 -5.476 6 2HB GLN 22 2HB GLN 22 -4.003 -1.117 -5.576 7 1HG GLN 22 1HG GLN 22 -4.329 -1.104 -8.049 8 2HG GLN 22 2HG GLN 22 -4.942 0.551 -7.946 9 1HE2 GLN 22 1HE2 GLN 22 -3.034 0.795 -9.554 10 2HE2 GLN 22 2HE2 GLN 22 -1.481 1.164 -8.812 11 H THR 23 H THR 23 -6.269 -3.479 -4.981 12 HA THR 23 HA THR 23 -7.781 -3.218 -2.712 13 HB THR 23 HB THR 23 -5.476 -5.174 -3.003 14 HG1 THR 23 HG1 THR 23 -6.961 -6.401 -4.170 15 1HG2 THR 23 3HG2 THR 23 -8.226 -5.442 -1.695 16 2HG2 THR 23 1HG2 THR 23 -7.024 -6.739 -1.860 17 3HG2 THR 23 2HG2 THR 23 -6.670 -5.350 -0.829 18 H CYS 24 H CYS 24 -7.604 -2.660 -0.647 19 HA CYS 24 HA CYS 24 -5.659 -0.962 0.361 20 1HB CYS 24 1HB CYS 24 -8.045 -1.434 1.126 21 2HB CYS 24 2HB CYS 24 -7.417 -2.849 1.971 22 H TYR 25 H TYR 25 -4.027 -1.117 1.924 23 HA TYR 25 HA TYR 25 -2.475 -3.556 2.195 24 1HB TYR 25 1HB TYR 25 -0.977 -2.332 3.373 25 2HB TYR 25 2HB TYR 25 -1.658 -1.088 2.352 26 HD1 TYR 25 HD1 TYR 25 -0.551 -1.802 5.563 27 HD2 TYR 25 HD2 TYR 25 -3.878 0.121 3.592 28 HE1 TYR 25 HE1 TYR 25 -1.022 -0.500 7.625 29 HE2 TYR 25 HE2 TYR 25 -4.363 1.392 5.677 30 HH TYR 25 HH TYR 25 -2.382 1.014 8.636 31 H ASN 26 H ASN 26 -5.300 -2.460 3.766 32 HA ASN 26 HA ASN 26 -4.913 -4.307 6.108 33 1HB ASN 26 1HB ASN 26 -4.428 -2.022 6.767 34 2HB ASN 26 2HB ASN 26 -5.878 -1.413 5.973 35 1HD2 ASN 26 2HD2 ASN 26 -7.923 -1.615 7.034 36 2HD2 ASN 26 1HD2 ASN 26 -8.003 -2.158 8.703 37 H CYS 27 H CYS 27 -7.370 -2.487 4.214 38 HA CYS 27 HA CYS 27 -9.545 -3.745 5.574 39 1HB CYS 27 1HB CYS 27 -9.525 -1.954 3.114 40 2HB CYS 27 2HB CYS 27 -10.895 -2.261 4.187 41 H GLY 28 H GLY 28 -7.777 -4.973 2.956 42 1HA GLY 28 2HA GLY 28 -9.397 -7.225 2.487 43 2HA GLY 28 1HA GLY 28 -8.117 -6.647 1.414 44 H LYS 29 H LYS 29 -9.384 -4.140 0.759 45 HA LYS 29 HA LYS 29 -11.883 -4.909 -0.707 46 1HB LYS 29 1HB LYS 29 -12.265 -3.668 1.370 47 2HB LYS 29 2HB LYS 29 -11.179 -2.408 0.848 48 1HG LYS 29 1HG LYS 29 -13.436 -1.642 0.551 49 2HG LYS 29 2HG LYS 29 -12.713 -1.840 -1.033 50 1HD LYS 29 1HD LYS 29 -15.033 -2.634 -1.018 51 2HD LYS 29 2HD LYS 29 -13.924 -3.944 -1.384 52 1HE LYS 29 1HE LYS 29 -15.621 -4.784 0.093 53 2HE LYS 29 2HE LYS 29 -14.094 -4.757 0.971 54 1HZ LYS 29 3HZ LYS 29 -16.241 -2.708 1.211 55 2HZ LYS 29 1HZ LYS 29 -15.934 -3.876 2.303 56 3HZ LYS 29 2HZ LYS 29 -14.842 -2.693 2.059 57 HA PRO 30 HA PRO 30 -9.232 -3.767 -4.219 58 1HB PRO 30 2HB PRO 30 -11.942 -3.876 -5.547 59 2HB PRO 30 1HB PRO 30 -10.360 -4.459 -6.158 60 1HG PRO 30 1HG PRO 30 -12.084 -6.208 -5.048 61 2HG PRO 30 2HG PRO 30 -10.348 -6.276 -4.596 62 1HD PRO 30 1HD PRO 30 -12.647 -5.061 -3.064 63 2HD PRO 30 2HD PRO 30 -11.275 -6.045 -2.471 64 H GLY 31 H GLY 31 -12.200 -1.946 -3.509 65 1HA GLY 31 2HA GLY 31 -12.909 0.185 -3.993 66 2HA GLY 31 1HA GLY 31 -11.695 0.269 -5.268 67 H HIS 32 H HIS 32 -9.386 -0.100 -3.536 68 HA HIS 32 HA HIS 32 -9.431 2.357 -1.853 69 1HB HIS 32 1HB HIS 32 -8.004 -0.262 -1.635 70 2HB HIS 32 2HB HIS 32 -7.160 1.175 -1.072 71 HD1 HIS 32 HD1 HIS 32 -10.552 -0.578 -0.449 72 HD2 HIS 32 HD2 HIS 32 -7.710 1.940 1.324 73 HE1 HIS 32 HE1 HIS 32 -11.326 -0.213 1.975 74 H LEU 33 H LEU 33 -7.570 3.580 -1.687 75 HA LEU 33 HA LEU 33 -5.737 4.008 -3.924 76 1HB LEU 33 1HB LEU 33 -7.990 5.937 -3.151 77 2HB LEU 33 2HB LEU 33 -6.608 6.406 -4.129 78 HG LEU 33 HG LEU 33 -8.712 4.370 -4.965 79 1HD1 LEU 33 3HD1 LEU 33 -9.577 6.664 -4.840 80 2HD1 LEU 33 1HD1 LEU 33 -8.231 7.241 -5.847 81 3HD1 LEU 33 2HD1 LEU 33 -9.438 6.119 -6.519 82 1HD2 LEU 33 3HD2 LEU 33 -6.399 5.632 -6.517 83 2HD2 LEU 33 1HD2 LEU 33 -6.523 3.923 -6.045 84 3HD2 LEU 33 2HD2 LEU 33 -7.669 4.599 -7.207 85 H SER 34 H SER 34 -4.398 6.022 -3.337 86 HA SER 34 HA SER 34 -3.435 6.104 -0.647 87 1HB SER 34 1HB SER 34 -2.311 8.199 -1.440 88 2HB SER 34 2HB SER 34 -2.056 6.793 -2.494 89 HG SER 34 HG SER 34 -2.609 8.700 -3.677 90 H SER 35 H SER 35 -6.242 7.607 -2.040 91 HA SER 35 HA SER 35 -6.608 9.525 0.182 92 1HB SER 35 1HB SER 35 -8.623 10.167 -1.122 93 2HB SER 35 2HB SER 35 -7.121 10.286 -2.055 94 HG SER 35 HG SER 35 -8.823 9.243 -3.221 95 H GLN 36 H GLN 36 -7.319 6.237 -0.343 96 HA GLN 36 HA GLN 36 -9.843 6.274 1.244 97 1HB GLN 36 1HB GLN 36 -9.486 5.012 -1.027 98 2HB GLN 36 2HB GLN 36 -8.565 3.867 -0.059 99 1HG GLN 36 1HG GLN 36 -10.696 2.913 -0.084 100 2HG GLN 36 2HG GLN 36 -10.723 3.765 1.451 101 1HE2 GLN 36 2HE2 GLN 36 -12.094 3.541 -1.797 102 2HE2 GLN 36 1HE2 GLN 36 -13.279 4.823 -1.561 103 H CYS 37 H CYS 37 -6.572 4.856 1.210 104 HA CYS 37 HA CYS 37 -6.421 4.911 4.141 105 1HB CYS 37 1HB CYS 37 -6.034 2.379 2.488 106 2HB CYS 37 2HB CYS 37 -5.171 2.620 3.988 107 H ARG 38 H ARG 38 -4.103 4.417 4.776 108 HA ARG 38 HA ARG 38 -2.349 6.331 3.701 109 1HB ARG 38 1HB ARG 38 -1.522 3.852 5.271 110 2HB ARG 38 2HB ARG 38 -0.613 5.351 5.088 111 1HG ARG 38 1HG ARG 38 -1.530 5.903 7.083 112 2HG ARG 38 2HG ARG 38 -2.935 6.361 6.119 113 1HD ARG 38 1HD ARG 38 -3.686 3.865 6.456 114 2HD ARG 38 2HD ARG 38 -2.427 3.812 7.696 115 HE ARG 38 HE ARG 38 -4.069 6.091 8.174 116 1HH1 ARG 38 1HH1 ARG 38 -4.312 2.595 8.423 117 2HH1 ARG 38 2HH1 ARG 38 -5.646 2.688 9.544 118 1HH2 ARG 38 2HH2 ARG 38 -5.748 6.121 9.633 119 2HH2 ARG 38 1HH2 ARG 38 -6.411 4.628 10.227 120 H ALA 39 H ALA 39 -2.574 2.930 2.759 121 HA ALA 39 HA ALA 39 -1.373 3.573 0.209 122 1HB ALA 39 3HB ALA 39 0.011 1.557 2.041 123 2HB ALA 39 1HB ALA 39 0.433 1.847 0.349 124 3HB ALA 39 2HB ALA 39 0.685 3.130 1.547 125 HA PRO 40 HA PRO 40 -3.667 -0.305 -0.797 126 1HB PRO 40 2HB PRO 40 -2.616 -0.923 -3.224 127 2HB PRO 40 1HB PRO 40 -3.710 0.474 -2.997 128 1HG PRO 40 1HG PRO 40 -0.675 0.484 -3.085 129 2HG PRO 40 2HG PRO 40 -1.810 1.539 -3.986 130 1HD PRO 40 1HD PRO 40 -0.614 2.294 -1.637 131 2HD PRO 40 2HD PRO 40 -2.254 2.840 -2.089 132 H LYS 41 H LYS 41 -2.967 -2.583 -1.415 133 HA LYS 41 HA LYS 41 -1.251 -3.727 0.457 134 1HB LYS 41 1HB LYS 41 -3.202 -4.699 -0.887 135 2HB LYS 41 2HB LYS 41 -2.047 -5.007 -2.184 136 1HG LYS 41 1HG LYS 41 -0.769 -6.510 -0.694 137 2HG LYS 41 2HG LYS 41 -1.821 -6.078 0.672 138 1HD LYS 41 1HD LYS 41 -3.762 -7.065 -0.520 139 2HD LYS 41 2HD LYS 41 -2.709 -7.478 -1.894 140 1HE LYS 41 1HE LYS 41 -1.314 -8.887 -0.381 141 2HE LYS 41 2HE LYS 41 -2.382 -8.490 0.970 142 1HZ LYS 41 2HZ LYS 41 -3.212 -9.944 -1.489 143 2HZ LYS 41 3HZ LYS 41 -2.970 -10.624 -0.027 144 3HZ LYS 41 1HZ LYS 41 -4.202 -9.578 -0.240 145 H VAL 42 H VAL 42 -0.166 -2.243 -2.374 146 HA VAL 42 HA VAL 42 2.353 -3.493 -2.877 147 HB VAL 42 HB VAL 42 1.556 -0.552 -2.992 148 1HG1 VAL 42 2HG1 VAL 42 3.829 -2.031 -4.370 149 2HG1 VAL 42 3HG1 VAL 42 3.335 -0.360 -4.718 150 3HG1 VAL 42 1HG1 VAL 42 3.989 -0.762 -3.132 151 1HG2 VAL 42 1HG2 VAL 42 1.472 -2.707 -5.152 152 2HG2 VAL 42 2HG2 VAL 42 0.065 -1.910 -4.417 153 3HG2 VAL 42 3HG2 VAL 42 1.175 -0.976 -5.413 154 H CYS 43 H CYS 43 1.318 -1.277 -0.286 155 HA CYS 43 HA CYS 43 3.922 -1.506 1.115 156 1HB CYS 43 1HB CYS 43 4.001 0.328 -0.622 157 2HB CYS 43 2HB CYS 43 2.703 1.153 0.248 158 H PHE 44 H PHE 44 3.303 0.695 2.789 159 HA PHE 44 HA PHE 44 0.657 0.250 4.038 160 1HB PHE 44 1HB PHE 44 1.452 -0.063 6.220 161 2HB PHE 44 2HB PHE 44 2.380 -1.183 5.244 162 HD1 PHE 44 HD1 PHE 44 2.484 1.648 7.518 163 HD2 PHE 44 HD2 PHE 44 4.812 -0.543 4.619 164 HE1 PHE 44 HE1 PHE 44 4.560 2.689 8.396 165 HE2 PHE 44 HE2 PHE 44 6.883 0.503 5.501 166 HZ PHE 44 HZ PHE 44 6.762 2.125 7.382 167 H LYS 45 H LYS 45 3.315 2.383 3.253 168 HA LYS 45 HA LYS 45 1.708 4.751 3.955 169 1HB LYS 45 1HB LYS 45 2.824 4.116 6.092 170 2HB LYS 45 2HB LYS 45 4.401 4.235 5.308 171 1HG LYS 45 1HG LYS 45 3.995 6.663 4.899 172 2HG LYS 45 2HG LYS 45 2.393 6.513 5.650 173 1HD LYS 45 1HD LYS 45 3.474 5.804 7.780 174 2HD LYS 45 2HD LYS 45 5.070 5.969 7.016 175 1HE LYS 45 1HE LYS 45 4.607 8.380 6.596 176 2HE LYS 45 2HE LYS 45 3.026 8.210 7.368 177 1HZ LYS 45 1HZ LYS 45 4.179 7.613 9.437 178 2HZ LYS 45 2HZ LYS 45 5.640 7.780 8.721 179 3HZ LYS 45 3HZ LYS 45 4.674 9.078 8.922 180 H CYS 46 H CYS 46 5.127 3.893 3.106 181 HA CYS 46 HA CYS 46 5.505 6.390 1.791 182 1HB CYS 46 1HB CYS 46 7.763 5.229 1.219 183 2HB CYS 46 2HB CYS 46 7.356 5.656 2.878 184 H LYS 47 H LYS 47 4.721 3.230 0.477 185 HA LYS 47 HA LYS 47 4.229 2.502 -1.646 186 1HB LYS 47 1HB LYS 47 2.209 3.602 -2.433 187 2HB LYS 47 2HB LYS 47 2.246 3.412 -0.686 188 1HG LYS 47 1HG LYS 47 2.885 5.790 -0.420 189 2HG LYS 47 2HG LYS 47 2.838 6.012 -2.170 190 1HD LYS 47 1HD LYS 47 0.470 5.649 -2.236 191 2HD LYS 47 2HD LYS 47 0.424 5.033 -0.575 192 1HE LYS 47 1HE LYS 47 1.347 7.858 -1.246 193 2HE LYS 47 2HE LYS 47 -0.350 7.467 -0.960 194 1HZ LYS 47 3HZ LYS 47 1.805 6.952 1.028 195 2HZ LYS 47 1HZ LYS 47 0.759 8.216 1.081 196 3HZ LYS 47 2HZ LYS 47 0.221 6.674 1.247 197 H GLN 48 H GLN 48 6.716 4.082 -1.948 198 HA GLN 48 HA GLN 48 6.574 5.499 -4.430 199 1HB GLN 48 1HB GLN 48 8.960 4.165 -3.083 200 2HB GLN 48 2HB GLN 48 9.065 5.300 -4.421 201 1HG GLN 48 1HG GLN 48 8.057 5.900 -1.612 202 2HG GLN 48 2HG GLN 48 9.563 6.431 -2.335 203 1HE2 GLN 48 2HE2 GLN 48 6.253 7.255 -1.861 204 2HE2 GLN 48 1HE2 GLN 48 6.240 8.652 -2.945 205 HA PRO 49 HA PRO 49 6.074 2.755 -7.628 206 1HB PRO 49 2HB PRO 49 8.647 3.692 -8.914 207 2HB PRO 49 1HB PRO 49 7.033 3.464 -9.664 208 1HG PRO 49 1HG PRO 49 7.819 5.931 -8.915 209 2HG PRO 49 2HG PRO 49 6.157 5.377 -8.526 210 1HD PRO 49 1HD PRO 49 8.573 5.499 -6.724 211 2HD PRO 49 2HD PRO 49 6.876 5.946 -6.393 212 H GLY 50 H GLY 50 9.252 2.153 -6.227 213 1HA GLY 50 2HA GLY 50 10.413 0.114 -7.514 214 2HA GLY 50 1HA GLY 50 8.974 -0.726 -6.942 215 H HIS 51 H HIS 51 9.729 1.460 -4.533 216 HA HIS 51 HA HIS 51 12.005 0.369 -3.262 217 1HB HIS 51 1HB HIS 51 11.447 1.771 -1.474 218 2HB HIS 51 2HB HIS 51 10.771 2.607 -2.863 219 HD1 HIS 51 HD1 HIS 51 7.865 1.792 -3.143 220 HD2 HIS 51 HD2 HIS 51 9.911 1.382 0.520 221 HE1 HIS 51 HE1 HIS 51 6.110 1.279 -1.385 222 H PHE 52 H PHE 52 8.697 -0.784 -3.217 223 HA PHE 52 HA PHE 52 8.581 -1.906 -0.653 224 1HB PHE 52 1HB PHE 52 6.667 -3.258 -1.670 225 2HB PHE 52 2HB PHE 52 6.565 -1.513 -1.705 226 HD1 PHE 52 HD1 PHE 52 7.067 -4.544 -3.804 227 HD2 PHE 52 HD2 PHE 52 6.556 -0.259 -3.780 228 HE1 PHE 52 HE1 PHE 52 6.689 -4.566 -6.254 229 HE2 PHE 52 HE2 PHE 52 6.160 -0.292 -6.219 230 HZ PHE 52 HZ PHE 52 6.240 -2.440 -7.471 231 H SER 53 H SER 53 9.555 -3.522 -3.694 232 HA SER 53 HA SER 53 9.944 -6.123 -2.668 233 1HB SER 53 1HB SER 53 11.400 -4.739 -4.952 234 2HB SER 53 2HB SER 53 11.291 -6.491 -4.687 235 HG SER 53 HG SER 53 9.722 -5.762 -6.186 236 H LYS 54 H LYS 54 11.731 -3.430 -1.729 237 HA LYS 54 HA LYS 54 13.920 -5.137 -0.643 238 1HB LYS 54 1HB LYS 54 15.572 -3.428 -1.182 239 2HB LYS 54 2HB LYS 54 14.817 -4.073 -2.631 240 1HG LYS 54 1HG LYS 54 13.452 -2.107 -2.931 241 2HG LYS 54 2HG LYS 54 13.918 -1.447 -1.357 242 1HD LYS 54 1HD LYS 54 15.896 -1.938 -3.621 243 2HD LYS 54 2HD LYS 54 15.036 -0.407 -3.373 244 1HE LYS 54 1HE LYS 54 15.980 -0.219 -1.090 245 2HE LYS 54 2HE LYS 54 16.860 -1.735 -1.314 246 1HZ LYS 54 2HZ LYS 54 17.268 0.716 -2.944 247 2HZ LYS 54 3HZ LYS 54 18.269 0.192 -1.767 248 3HZ LYS 54 1HZ LYS 54 18.091 -0.685 -3.131 249 H GLN 55 H GLN 55 11.370 -3.559 0.402 250 HA GLN 55 HA GLN 55 12.679 -2.834 2.944 251 1HB GLN 55 1HB GLN 55 12.776 -0.754 1.519 252 2HB GLN 55 2HB GLN 55 11.012 -0.760 1.453 253 1HG GLN 55 1HG GLN 55 10.990 -0.631 3.990 254 2HG GLN 55 2HG GLN 55 12.751 -0.511 3.953 255 1HE2 GLN 55 1HE2 GLN 55 9.715 1.165 3.359 256 2HE2 GLN 55 2HE2 GLN 55 10.434 2.752 3.105 257 H CYS 56 H CYS 56 9.490 -2.500 1.293 258 HA CYS 56 HA CYS 56 8.163 -2.955 3.887 259 1HB CYS 56 1HB CYS 56 7.163 -1.799 1.253 260 2HB CYS 56 2HB CYS 56 6.252 -1.871 2.768 261 H ARG 57 H ARG 57 8.568 -4.667 0.920 262 HA ARG 57 HA ARG 57 6.638 -6.779 1.764 263 1HB ARG 57 1HB ARG 57 6.049 -4.939 -0.249 264 2HB ARG 57 2HB ARG 57 6.818 -6.216 -1.166 265 1HG ARG 57 1HG ARG 57 4.735 -7.106 -1.234 266 2HG ARG 57 2HG ARG 57 5.084 -7.706 0.383 267 1HD ARG 57 1HD ARG 57 3.556 -5.199 -0.416 268 2HD ARG 57 2HD ARG 57 2.908 -6.638 0.381 269 HE ARG 57 HE ARG 57 4.956 -5.480 2.030 270 1HH1 ARG 57 1HH1 ARG 57 1.735 -4.623 0.983 271 2HH1 ARG 57 2HH1 ARG 57 1.556 -3.457 2.271 272 1HH2 ARG 57 2HH2 ARG 57 4.610 -4.145 3.672 273 2HH2 ARG 57 1HH2 ARG 57 3.045 -3.378 3.906 274 H SER 58 H SER 58 9.742 -6.196 1.252 275 HA SER 58 HA SER 58 10.804 -8.255 -0.394 276 1HB SER 58 1HB SER 58 12.841 -7.924 1.115 277 2HB SER 58 2HB SER 58 12.247 -6.525 0.216 278 HG SER 58 HG SER 58 11.634 -7.103 2.943 No H/Q in entry = 278 Start of MODEL 21 1 H1 GLN 22 H1 GLN 22 -6.947 0.545 -5.793 2 H2 GLN 22 H3 GLN 22 -6.966 -0.029 -7.339 3 H3 GLN 22 H2 GLN 22 -8.029 -0.603 -6.223 4 HA GLN 22 HA GLN 22 -6.348 -2.230 -6.570 5 1HB GLN 22 1HB GLN 22 -4.570 -0.688 -7.330 6 2HB GLN 22 2HB GLN 22 -4.429 -0.024 -5.705 7 1HG GLN 22 1HG GLN 22 -2.612 -1.566 -6.152 8 2HG GLN 22 2HG GLN 22 -3.612 -2.210 -4.863 9 1HE2 GLN 22 2HE2 GLN 22 -1.930 -3.205 -7.552 10 2HE2 GLN 22 1HE2 GLN 22 -2.924 -4.598 -7.961 11 H THR 23 H THR 23 -6.218 -3.687 -4.909 12 HA THR 23 HA THR 23 -7.772 -3.309 -2.684 13 HB THR 23 HB THR 23 -5.492 -5.304 -2.864 14 HG1 THR 23 HG1 THR 23 -7.000 -6.559 -3.969 15 1HG2 THR 23 3HG2 THR 23 -8.236 -5.431 -1.526 16 2HG2 THR 23 1HG2 THR 23 -7.097 -6.787 -1.660 17 3HG2 THR 23 2HG2 THR 23 -6.665 -5.379 -0.686 18 H CYS 24 H CYS 24 -7.635 -2.691 -0.627 19 HA CYS 24 HA CYS 24 -5.664 -0.995 0.381 20 1HB CYS 24 1HB CYS 24 -8.082 -1.368 1.105 21 2HB CYS 24 2HB CYS 24 -7.520 -2.787 1.984 22 H TYR 25 H TYR 25 -4.073 -1.174 1.978 23 HA TYR 25 HA TYR 25 -2.619 -3.659 2.325 24 1HB TYR 25 1HB TYR 25 -1.099 -2.463 3.523 25 2HB TYR 25 2HB TYR 25 -1.716 -1.225 2.453 26 HD1 TYR 25 HD1 TYR 25 -0.663 -1.819 5.689 27 HD2 TYR 25 HD2 TYR 25 -3.978 0.023 3.623 28 HE1 TYR 25 HE1 TYR 25 -1.149 -0.433 7.694 29 HE2 TYR 25 HE2 TYR 25 -4.486 1.360 5.647 30 HH TYR 25 HH TYR 25 -2.546 1.117 8.640 31 H ASN 26 H ASN 26 -5.443 -2.444 3.875 32 HA ASN 26 HA ASN 26 -5.159 -4.438 6.093 33 1HB ASN 26 1HB ASN 26 -4.370 -2.172 6.784 34 2HB ASN 26 2HB ASN 26 -5.946 -1.503 6.369 35 1HD2 ASN 26 1HD2 ASN 26 -4.233 -3.714 8.584 36 2HD2 ASN 26 2HD2 ASN 26 -5.487 -3.680 9.815 37 H CYS 27 H CYS 27 -7.507 -2.287 4.374 38 HA CYS 27 HA CYS 27 -9.802 -3.450 5.613 39 1HB CYS 27 1HB CYS 27 -9.587 -1.836 3.035 40 2HB CYS 27 2HB CYS 27 -11.044 -2.095 3.999 41 H GLY 28 H GLY 28 -7.962 -4.508 2.843 42 1HA GLY 28 2HA GLY 28 -9.544 -6.849 2.339 43 2HA GLY 28 1HA GLY 28 -8.205 -6.249 1.364 44 H LYS 29 H LYS 29 -10.200 -3.664 1.288 45 HA LYS 29 HA LYS 29 -12.194 -4.562 -0.709 46 1HB LYS 29 1HB LYS 29 -11.612 -2.025 0.793 47 2HB LYS 29 2HB LYS 29 -12.431 -1.900 -0.755 48 1HG LYS 29 1HG LYS 29 -14.049 -1.885 0.956 49 2HG LYS 29 2HG LYS 29 -14.249 -3.355 0.015 50 1HD LYS 29 1HD LYS 29 -12.681 -3.366 2.618 51 2HD LYS 29 2HD LYS 29 -14.445 -3.387 2.630 52 1HE LYS 29 1HE LYS 29 -14.519 -5.435 1.310 53 2HE LYS 29 2HE LYS 29 -12.760 -5.446 1.155 54 1HZ LYS 29 2HZ LYS 29 -14.224 -5.679 3.725 55 2HZ LYS 29 3HZ LYS 29 -13.485 -6.909 2.946 56 3HZ LYS 29 1HZ LYS 29 -12.592 -5.679 3.560 57 HA PRO 30 HA PRO 30 -9.280 -3.928 -4.147 58 1HB PRO 30 2HB PRO 30 -11.903 -3.872 -5.634 59 2HB PRO 30 1HB PRO 30 -10.372 -4.695 -6.070 60 1HG PRO 30 1HG PRO 30 -12.397 -6.106 -4.972 61 2HG PRO 30 2HG PRO 30 -10.716 -6.368 -4.396 62 1HD PRO 30 1HD PRO 30 -12.903 -4.711 -3.122 63 2HD PRO 30 2HD PRO 30 -11.755 -5.859 -2.369 64 H GLY 31 H GLY 31 -12.139 -1.867 -3.660 65 1HA GLY 31 2HA GLY 31 -12.704 0.254 -4.345 66 2HA GLY 31 1HA GLY 31 -11.419 0.180 -5.549 67 H HIS 32 H HIS 32 -9.310 -0.254 -3.463 68 HA HIS 32 HA HIS 32 -9.322 2.310 -1.985 69 1HB HIS 32 1HB HIS 32 -7.911 -0.298 -1.687 70 2HB HIS 32 2HB HIS 32 -7.029 1.144 -1.197 71 HD1 HIS 32 HD1 HIS 32 -10.551 -0.355 -0.515 72 HD2 HIS 32 HD2 HIS 32 -7.493 1.946 1.195 73 HE1 HIS 32 HE1 HIS 32 -11.289 0.146 1.892 74 H LEU 33 H LEU 33 -7.422 3.533 -1.827 75 HA LEU 33 HA LEU 33 -5.732 3.982 -4.189 76 1HB LEU 33 1HB LEU 33 -7.876 5.924 -3.171 77 2HB LEU 33 2HB LEU 33 -6.590 6.382 -4.276 78 HG LEU 33 HG LEU 33 -8.777 4.365 -4.929 79 1HD1 LEU 33 3HD1 LEU 33 -9.640 6.650 -4.668 80 2HD1 LEU 33 1HD1 LEU 33 -8.403 7.259 -5.788 81 3HD1 LEU 33 2HD1 LEU 33 -9.665 6.144 -6.364 82 1HD2 LEU 33 1HD2 LEU 33 -6.644 5.676 -6.681 83 2HD2 LEU 33 2HD2 LEU 33 -6.710 3.956 -6.234 84 3HD2 LEU 33 3HD2 LEU 33 -7.974 4.646 -7.258 85 H SER 34 H SER 34 -4.317 5.926 -3.710 86 HA SER 34 HA SER 34 -3.013 5.887 -1.184 87 1HB SER 34 1HB SER 34 -1.913 7.964 -2.076 88 2HB SER 34 2HB SER 34 -1.877 6.582 -3.188 89 HG SER 34 HG SER 34 -2.501 8.551 -4.227 90 H SER 35 H SER 35 -5.951 7.476 -2.017 91 HA SER 35 HA SER 35 -5.859 9.255 0.374 92 1HB SER 35 1HB SER 35 -7.785 10.368 -0.717 93 2HB SER 35 2HB SER 35 -6.331 10.371 -1.729 94 HG SER 35 HG SER 35 -8.236 9.757 -2.895 95 H GLN 36 H GLN 36 -7.105 6.214 -0.553 96 HA GLN 36 HA GLN 36 -9.600 6.381 1.017 97 1HB GLN 36 1HB GLN 36 -9.150 5.038 -1.195 98 2HB GLN 36 2HB GLN 36 -8.358 3.878 -0.137 99 1HG GLN 36 1HG GLN 36 -10.529 3.026 -0.273 100 2HG GLN 36 2HG GLN 36 -10.636 3.951 1.215 101 1HE2 GLN 36 1HE2 GLN 36 -11.721 3.682 -2.163 102 2HE2 GLN 36 2HE2 GLN 36 -12.857 5.016 -2.056 103 H CYS 37 H CYS 37 -6.385 4.920 1.231 104 HA CYS 37 HA CYS 37 -6.400 4.990 4.160 105 1HB CYS 37 1HB CYS 37 -6.005 2.439 2.540 106 2HB CYS 37 2HB CYS 37 -5.144 2.672 4.039 107 H ARG 38 H ARG 38 -4.086 4.405 4.888 108 HA ARG 38 HA ARG 38 -2.178 6.216 3.850 109 1HB ARG 38 1HB ARG 38 -1.879 3.733 5.586 110 2HB ARG 38 2HB ARG 38 -0.548 4.835 5.250 111 1HG ARG 38 1HG ARG 38 -1.236 6.385 6.704 112 2HG ARG 38 2HG ARG 38 -2.902 6.342 6.153 113 1HD ARG 38 1HD ARG 38 -1.651 4.319 8.059 114 2HD ARG 38 2HD ARG 38 -2.597 5.715 8.568 115 HE ARG 38 HE ARG 38 -3.589 3.184 7.594 116 1HH1 ARG 38 2HH1 ARG 38 -4.522 6.566 7.817 117 2HH1 ARG 38 1HH1 ARG 38 -6.214 6.194 7.650 118 1HH2 ARG 38 1HH2 ARG 38 -5.749 2.804 7.342 119 2HH2 ARG 38 2HH2 ARG 38 -6.877 4.122 7.323 120 H ALA 39 H ALA 39 -2.639 2.825 2.883 121 HA ALA 39 HA ALA 39 -1.353 3.442 0.375 122 1HB ALA 39 1HB ALA 39 0.665 2.888 1.724 123 2HB ALA 39 2HB ALA 39 -0.083 1.337 2.185 124 3HB ALA 39 3HB ALA 39 0.376 1.639 0.505 125 HA PRO 40 HA PRO 40 -3.671 -0.390 -0.782 126 1HB PRO 40 2HB PRO 40 -2.496 -0.985 -3.156 127 2HB PRO 40 1HB PRO 40 -3.626 0.392 -2.984 128 1HG PRO 40 1HG PRO 40 -0.590 0.447 -2.933 129 2HG PRO 40 2HG PRO 40 -1.698 1.491 -3.878 130 1HD PRO 40 1HD PRO 40 -0.614 2.250 -1.477 131 2HD PRO 40 2HD PRO 40 -2.243 2.776 -1.990 132 H LYS 41 H LYS 41 -2.980 -2.667 -1.259 133 HA LYS 41 HA LYS 41 -1.296 -3.692 0.707 134 1HB LYS 41 1HB LYS 41 -3.239 -4.732 -0.656 135 2HB LYS 41 2HB LYS 41 -2.013 -5.198 -1.835 136 1HG LYS 41 1HG LYS 41 -0.856 -6.535 -0.099 137 2HG LYS 41 2HG LYS 41 -2.004 -5.957 1.128 138 1HD LYS 41 1HD LYS 41 -3.869 -7.000 -0.177 139 2HD LYS 41 2HD LYS 41 -2.693 -7.660 -1.319 140 1HE LYS 41 1HE LYS 41 -2.779 -8.252 1.679 141 2HE LYS 41 2HE LYS 41 -3.498 -9.273 0.435 142 1HZ LYS 41 2HZ LYS 41 -1.269 -9.588 -0.511 143 2HZ LYS 41 3HZ LYS 41 -0.597 -8.680 0.676 144 3HZ LYS 41 1HZ LYS 41 -1.318 -10.096 1.036 145 H VAL 42 H VAL 42 -0.178 -2.520 -2.286 146 HA VAL 42 HA VAL 42 2.312 -3.847 -2.655 147 HB VAL 42 HB VAL 42 1.614 -0.907 -3.055 148 1HG1 VAL 42 3HG1 VAL 42 3.804 -2.611 -4.312 149 2HG1 VAL 42 1HG1 VAL 42 3.359 -0.972 -4.834 150 3HG1 VAL 42 2HG1 VAL 42 4.033 -1.220 -3.226 151 1HG2 VAL 42 3HG2 VAL 42 1.390 -3.265 -4.978 152 2HG2 VAL 42 1HG2 VAL 42 0.035 -2.329 -4.305 153 3HG2 VAL 42 2HG2 VAL 42 1.166 -1.559 -5.415 154 H CYS 43 H CYS 43 1.316 -1.496 -0.222 155 HA CYS 43 HA CYS 43 3.916 -1.637 1.187 156 1HB CYS 43 1HB CYS 43 3.922 0.191 -0.565 157 2HB CYS 43 2HB CYS 43 2.595 0.969 0.306 158 H PHE 44 H PHE 44 3.273 0.469 2.890 159 HA PHE 44 HA PHE 44 0.622 0.006 4.129 160 1HB PHE 44 1HB PHE 44 1.440 -0.286 6.310 161 2HB PHE 44 2HB PHE 44 2.369 -1.400 5.325 162 HD1 PHE 44 HD1 PHE 44 2.475 1.429 7.600 163 HD2 PHE 44 HD2 PHE 44 4.785 -0.730 4.660 164 HE1 PHE 44 HE1 PHE 44 4.552 2.494 8.445 165 HE2 PHE 44 HE2 PHE 44 6.855 0.345 5.508 166 HZ PHE 44 HZ PHE 44 6.744 1.960 7.394 167 H LYS 45 H LYS 45 3.257 2.181 3.353 168 HA LYS 45 HA LYS 45 1.621 4.527 4.055 169 1HB LYS 45 1HB LYS 45 2.710 3.899 6.200 170 2HB LYS 45 2HB LYS 45 4.297 4.021 5.439 171 1HG LYS 45 1HG LYS 45 3.917 6.447 5.043 172 2HG LYS 45 2HG LYS 45 2.290 6.305 5.745 173 1HD LYS 45 1HD LYS 45 3.291 5.596 7.906 174 2HD LYS 45 2HD LYS 45 4.916 5.724 7.197 175 1HE LYS 45 1HE LYS 45 4.532 8.139 6.758 176 2HE LYS 45 2HE LYS 45 2.913 8.015 7.459 177 1HZ LYS 45 1HZ LYS 45 3.952 7.400 9.580 178 2HZ LYS 45 2HZ LYS 45 5.449 7.519 8.933 179 3HZ LYS 45 3HZ LYS 45 4.516 8.846 9.081 180 H CYS 46 H CYS 46 5.043 3.681 3.190 181 HA CYS 46 HA CYS 46 5.451 6.197 1.926 182 1HB CYS 46 1HB CYS 46 7.634 4.908 1.196 183 2HB CYS 46 2HB CYS 46 7.352 5.436 2.849 184 H LYS 47 H LYS 47 4.562 3.090 0.552 185 HA LYS 47 HA LYS 47 3.974 2.417 -1.555 186 1HB LYS 47 1HB LYS 47 1.928 3.530 -2.228 187 2HB LYS 47 2HB LYS 47 2.044 3.347 -0.485 188 1HG LYS 47 1HG LYS 47 2.717 5.723 -0.265 189 2HG LYS 47 2HG LYS 47 2.589 5.936 -2.011 190 1HD LYS 47 1HD LYS 47 0.223 5.601 -1.970 191 2HD LYS 47 2HD LYS 47 0.246 4.969 -0.319 192 1HE LYS 47 1HE LYS 47 1.103 7.810 -1.018 193 2HE LYS 47 2HE LYS 47 -0.560 7.384 -0.595 194 1HZ LYS 47 3HZ LYS 47 1.756 6.894 1.206 195 2HZ LYS 47 1HZ LYS 47 0.687 8.134 1.357 196 3HZ LYS 47 2HZ LYS 47 0.205 6.574 1.538 197 H GLN 48 H GLN 48 6.446 4.071 -1.924 198 HA GLN 48 HA GLN 48 6.166 5.466 -4.411 199 1HB GLN 48 1HB GLN 48 8.637 4.196 -3.171 200 2HB GLN 48 2HB GLN 48 8.653 5.336 -4.509 201 1HG GLN 48 1HG GLN 48 7.788 5.894 -1.645 202 2HG GLN 48 2HG GLN 48 9.225 6.482 -2.456 203 1HE2 GLN 48 2HE2 GLN 48 5.931 7.190 -1.760 204 2HE2 GLN 48 1HE2 GLN 48 5.797 8.589 -2.830 205 HA PRO 49 HA PRO 49 5.558 2.649 -7.535 206 1HB PRO 49 2HB PRO 49 8.032 3.641 -8.967 207 2HB PRO 49 1HB PRO 49 6.394 3.345 -9.631 208 1HG PRO 49 1HG PRO 49 7.133 5.853 -8.970 209 2HG PRO 49 2HG PRO 49 5.509 5.255 -8.494 210 1HD PRO 49 1HD PRO 49 7.995 5.505 -6.803 211 2HD PRO 49 2HD PRO 49 6.294 5.884 -6.404 212 H GLY 50 H GLY 50 8.904 2.276 -6.416 213 1HA GLY 50 2HA GLY 50 10.041 0.246 -7.702 214 2HA GLY 50 1HA GLY 50 8.730 -0.655 -6.941 215 H HIS 51 H HIS 51 9.271 1.471 -4.582 216 HA HIS 51 HA HIS 51 11.821 0.720 -3.492 217 1HB HIS 51 1HB HIS 51 11.210 2.004 -1.636 218 2HB HIS 51 2HB HIS 51 10.402 2.796 -2.976 219 HD1 HIS 51 HD1 HIS 51 7.560 1.780 -3.133 220 HD2 HIS 51 HD2 HIS 51 9.805 1.429 0.420 221 HE1 HIS 51 HE1 HIS 51 5.928 1.131 -1.309 222 H PHE 52 H PHE 52 8.644 -0.753 -3.250 223 HA PHE 52 HA PHE 52 8.780 -1.829 -0.702 224 1HB PHE 52 1HB PHE 52 6.920 -3.319 -1.446 225 2HB PHE 52 2HB PHE 52 6.697 -1.615 -1.769 226 HD1 PHE 52 HD1 PHE 52 7.221 -4.932 -3.316 227 HD2 PHE 52 HD2 PHE 52 6.642 -0.720 -4.060 228 HE1 PHE 52 HE1 PHE 52 6.750 -5.414 -5.702 229 HE2 PHE 52 HE2 PHE 52 6.170 -1.212 -6.443 230 HZ PHE 52 HZ PHE 52 6.227 -3.554 -7.272 231 H SER 53 H SER 53 9.769 -3.506 -3.725 232 HA SER 53 HA SER 53 10.493 -5.979 -2.602 233 1HB SER 53 1HB SER 53 11.790 -4.543 -4.946 234 2HB SER 53 2HB SER 53 11.855 -6.284 -4.612 235 HG SER 53 HG SER 53 10.218 -5.762 -6.132 236 H LYS 54 H LYS 54 11.965 -3.059 -1.787 237 HA LYS 54 HA LYS 54 14.408 -4.428 -0.730 238 1HB LYS 54 1HB LYS 54 14.238 -1.607 -1.879 239 2HB LYS 54 2HB LYS 54 15.636 -2.329 -1.093 240 1HG LYS 54 1HG LYS 54 16.295 -2.777 -3.191 241 2HG LYS 54 2HG LYS 54 15.332 -4.221 -2.946 242 1HD LYS 54 1HD LYS 54 14.776 -3.411 -5.099 243 2HD LYS 54 2HD LYS 54 13.391 -2.960 -4.097 244 1HE LYS 54 1HE LYS 54 14.289 -0.659 -3.873 245 2HE LYS 54 2HE LYS 54 15.718 -1.121 -4.806 246 1HZ LYS 54 2HZ LYS 54 14.235 -1.584 -6.699 247 2HZ LYS 54 3HZ LYS 54 12.927 -1.102 -5.835 248 3HZ LYS 54 1HZ LYS 54 14.098 -0.029 -6.224 249 H GLN 55 H GLN 55 11.565 -3.300 0.353 250 HA GLN 55 HA GLN 55 12.703 -2.621 2.985 251 1HB GLN 55 1HB GLN 55 12.612 -0.446 1.656 252 2HB GLN 55 2HB GLN 55 10.856 -0.623 1.618 253 1HG GLN 55 1HG GLN 55 10.933 -0.693 4.186 254 2HG GLN 55 2HG GLN 55 12.649 -0.298 4.070 255 1HE2 GLN 55 1HE2 GLN 55 9.351 0.856 3.517 256 2HE2 GLN 55 2HE2 GLN 55 9.766 2.557 3.383 257 H CYS 56 H CYS 56 9.609 -2.698 1.149 258 HA CYS 56 HA CYS 56 8.148 -3.394 3.641 259 1HB CYS 56 1HB CYS 56 7.184 -2.153 1.033 260 2HB CYS 56 2HB CYS 56 6.219 -2.414 2.488 261 H ARG 57 H ARG 57 9.217 -4.919 0.870 262 HA ARG 57 HA ARG 57 7.567 -7.318 1.355 263 1HB ARG 57 1HB ARG 57 6.715 -5.611 -0.561 264 2HB ARG 57 2HB ARG 57 7.974 -6.378 -1.504 265 1HG ARG 57 1HG ARG 57 5.710 -7.334 -1.851 266 2HG ARG 57 2HG ARG 57 6.864 -8.547 -1.308 267 1HD ARG 57 1HD ARG 57 4.569 -8.686 -0.240 268 2HD ARG 57 2HD ARG 57 5.916 -8.637 0.878 269 HE ARG 57 HE ARG 57 5.369 -6.432 1.550 270 1HH1 ARG 57 1HH1 ARG 57 3.070 -7.421 -0.935 271 2HH1 ARG 57 2HH1 ARG 57 2.010 -6.076 -0.527 272 1HH2 ARG 57 2HH2 ARG 57 3.939 -4.825 1.955 273 2HH2 ARG 57 1HH2 ARG 57 2.464 -4.711 1.004 274 H SER 58 H SER 58 10.551 -6.161 1.200 275 HA SER 58 HA SER 58 12.115 -7.952 -0.377 276 1HB SER 58 1HB SER 58 13.916 -7.274 1.318 277 2HB SER 58 2HB SER 58 13.177 -6.008 0.336 278 HG SER 58 HG SER 58 12.440 -6.669 3.014 No H/Q in entry = 278 Start of MODEL 22 1 H1 GLN 22 H2 GLN 22 -7.096 0.598 -5.724 2 H2 GLN 22 H1 GLN 22 -7.134 0.051 -7.278 3 H3 GLN 22 H3 GLN 22 -8.163 -0.564 -6.152 4 HA GLN 22 HA GLN 22 -6.432 -2.148 -6.563 5 1HB GLN 22 1HB GLN 22 -4.745 -0.439 -7.285 6 2HB GLN 22 2HB GLN 22 -4.536 0.037 -5.591 7 1HG GLN 22 1HG GLN 22 -3.737 -2.270 -5.055 8 2HG GLN 22 2HG GLN 22 -4.047 -2.759 -6.724 9 1HE2 GLN 22 1HE2 GLN 22 -1.867 -3.278 -7.266 10 2HE2 GLN 22 2HE2 GLN 22 -0.620 -2.041 -7.303 11 H THR 23 H THR 23 -6.436 -3.635 -4.920 12 HA THR 23 HA THR 23 -7.827 -3.249 -2.618 13 HB THR 23 HB THR 23 -5.604 -5.292 -2.900 14 HG1 THR 23 HG1 THR 23 -7.158 -6.497 -3.998 15 1HG2 THR 23 2HG2 THR 23 -8.333 -5.405 -1.522 16 2HG2 THR 23 3HG2 THR 23 -7.200 -6.762 -1.686 17 3HG2 THR 23 1HG2 THR 23 -6.752 -5.368 -0.700 18 H CYS 24 H CYS 24 -7.579 -2.676 -0.567 19 HA CYS 24 HA CYS 24 -5.578 -1.011 0.387 20 1HB CYS 24 1HB CYS 24 -7.958 -1.447 1.207 21 2HB CYS 24 2HB CYS 24 -7.323 -2.856 2.052 22 H TYR 25 H TYR 25 -3.939 -1.204 1.953 23 HA TYR 25 HA TYR 25 -2.430 -3.677 2.188 24 1HB TYR 25 1HB TYR 25 -0.902 -2.491 3.364 25 2HB TYR 25 2HB TYR 25 -1.579 -1.214 2.381 26 HD1 TYR 25 HD1 TYR 25 -0.429 -1.997 5.554 27 HD2 TYR 25 HD2 TYR 25 -3.788 -0.039 3.678 28 HE1 TYR 25 HE1 TYR 25 -0.913 -0.782 7.673 29 HE2 TYR 25 HE2 TYR 25 -4.299 1.123 5.804 30 HH TYR 25 HH TYR 25 -3.735 1.387 8.034 31 H ASN 26 H ASN 26 -5.239 -2.548 3.776 32 HA ASN 26 HA ASN 26 -4.909 -4.463 6.070 33 1HB ASN 26 1HB ASN 26 -4.307 -2.233 6.803 34 2HB ASN 26 2HB ASN 26 -5.723 -1.521 6.035 35 1HD2 ASN 26 1HD2 ASN 26 -7.766 -1.625 7.104 36 2HD2 ASN 26 2HD2 ASN 26 -7.873 -2.217 8.754 37 H CYS 27 H CYS 27 -7.305 -2.442 4.301 38 HA CYS 27 HA CYS 27 -9.510 -3.600 5.676 39 1HB CYS 27 1HB CYS 27 -9.439 -1.809 3.220 40 2HB CYS 27 2HB CYS 27 -10.806 -2.038 4.319 41 H GLY 28 H GLY 28 -7.894 -4.886 2.977 42 1HA GLY 28 2HA GLY 28 -9.675 -7.032 2.546 43 2HA GLY 28 1HA GLY 28 -8.367 -6.548 1.463 44 H LYS 29 H LYS 29 -9.612 -3.894 0.948 45 HA LYS 29 HA LYS 29 -12.041 -4.616 -0.644 46 1HB LYS 29 1HB LYS 29 -11.368 -2.373 1.191 47 2HB LYS 29 2HB LYS 29 -12.235 -1.912 -0.268 48 1HG LYS 29 1HG LYS 29 -13.201 -4.156 1.541 49 2HG LYS 29 2HG LYS 29 -13.636 -2.458 1.783 50 1HD LYS 29 1HD LYS 29 -14.593 -2.345 -0.500 51 2HD LYS 29 2HD LYS 29 -14.207 -4.059 -0.758 52 1HE LYS 29 1HE LYS 29 -15.657 -4.684 1.145 53 2HE LYS 29 2HE LYS 29 -16.018 -2.979 1.446 54 1HZ LYS 29 2HZ LYS 29 -16.715 -4.443 -1.046 55 2HZ LYS 29 3HZ LYS 29 -17.767 -4.034 0.131 56 3HZ LYS 29 1HZ LYS 29 -17.051 -2.870 -0.756 57 HA PRO 30 HA PRO 30 -9.326 -3.780 -4.178 58 1HB PRO 30 2HB PRO 30 -12.045 -3.809 -5.496 59 2HB PRO 30 1HB PRO 30 -10.501 -4.510 -6.077 60 1HG PRO 30 1HG PRO 30 -12.331 -6.100 -4.893 61 2HG PRO 30 2HG PRO 30 -10.600 -6.258 -4.445 62 1HD PRO 30 1HD PRO 30 -12.808 -4.834 -2.957 63 2HD PRO 30 2HD PRO 30 -11.501 -5.883 -2.328 64 H GLY 31 H GLY 31 -12.217 -1.813 -3.509 65 1HA GLY 31 2HA GLY 31 -12.823 0.338 -4.052 66 2HA GLY 31 1HA GLY 31 -11.613 0.329 -5.331 67 H HIS 32 H HIS 32 -9.403 -0.216 -3.343 68 HA HIS 32 HA HIS 32 -9.318 2.309 -1.806 69 1HB HIS 32 1HB HIS 32 -7.920 -0.322 -1.627 70 2HB HIS 32 2HB HIS 32 -7.021 1.103 -1.119 71 HD1 HIS 32 HD1 HIS 32 -10.419 -0.568 -0.320 72 HD2 HIS 32 HD2 HIS 32 -7.487 1.971 1.261 73 HE1 HIS 32 HE1 HIS 32 -11.112 -0.095 2.111 74 H LEU 33 H LEU 33 -7.488 3.558 -1.716 75 HA LEU 33 HA LEU 33 -5.681 3.960 -3.978 76 1HB LEU 33 1HB LEU 33 -7.956 5.877 -3.236 77 2HB LEU 33 2HB LEU 33 -6.586 6.344 -4.229 78 HG LEU 33 HG LEU 33 -8.666 4.265 -5.017 79 1HD1 LEU 33 2HD1 LEU 33 -9.556 6.553 -4.934 80 2HD1 LEU 33 3HD1 LEU 33 -8.217 7.124 -5.956 81 3HD1 LEU 33 1HD1 LEU 33 -9.414 5.978 -6.603 82 1HD2 LEU 33 1HD2 LEU 33 -6.370 5.522 -6.597 83 2HD2 LEU 33 2HD2 LEU 33 -6.475 3.821 -6.095 84 3HD2 LEU 33 3HD2 LEU 33 -7.631 4.463 -7.265 85 H SER 34 H SER 34 -4.320 5.952 -3.444 86 HA SER 34 HA SER 34 -3.310 6.172 -0.827 87 1HB SER 34 1HB SER 34 -3.394 8.277 -3.023 88 2HB SER 34 2HB SER 34 -2.280 8.256 -1.646 89 HG SER 34 HG SER 34 -1.456 7.343 -3.674 90 H SER 35 H SER 35 -6.261 7.546 -2.057 91 HA SER 35 HA SER 35 -6.578 9.469 0.176 92 1HB SER 35 1HB SER 35 -8.605 10.130 -1.117 93 2HB SER 35 2HB SER 35 -7.099 10.274 -2.040 94 HG SER 35 HG SER 35 -8.787 9.243 -3.237 95 H GLN 36 H GLN 36 -7.206 6.196 -0.288 96 HA GLN 36 HA GLN 36 -9.748 6.194 1.286 97 1HB GLN 36 1HB GLN 36 -9.413 5.005 -1.032 98 2HB GLN 36 2HB GLN 36 -8.495 3.826 -0.105 99 1HG GLN 36 1HG GLN 36 -10.626 2.876 -0.116 100 2HG GLN 36 2HG GLN 36 -10.658 3.721 1.422 101 1HE2 GLN 36 2HE2 GLN 36 -11.928 3.615 -1.903 102 2HE2 GLN 36 1HE2 GLN 36 -13.148 4.854 -1.635 103 H CYS 37 H CYS 37 -6.458 4.807 1.192 104 HA CYS 37 HA CYS 37 -6.319 4.913 4.102 105 1HB CYS 37 1HB CYS 37 -5.964 2.317 2.560 106 2HB CYS 37 2HB CYS 37 -4.958 2.616 3.945 107 H ARG 38 H ARG 38 -4.061 4.499 4.803 108 HA ARG 38 HA ARG 38 -2.150 6.245 3.801 109 1HB ARG 38 1HB ARG 38 -1.689 3.642 5.328 110 2HB ARG 38 2HB ARG 38 -0.548 4.970 5.171 111 1HG ARG 38 1HG ARG 38 -1.333 5.739 7.085 112 2HG ARG 38 2HG ARG 38 -2.744 6.304 6.213 113 1HD ARG 38 1HD ARG 38 -2.531 3.531 7.479 114 2HD ARG 38 2HD ARG 38 -3.067 4.927 8.385 115 HE ARG 38 HE ARG 38 -4.650 3.374 6.539 116 1HH1 ARG 38 1HH2 ARG 38 -4.446 6.530 8.042 117 2HH1 ARG 38 2HH2 ARG 38 -6.152 6.820 7.850 118 1HH2 ARG 38 2HH1 ARG 38 -6.791 3.894 6.156 119 2HH2 ARG 38 1HH1 ARG 38 -7.432 5.352 6.854 120 H ALA 39 H ALA 39 -2.543 2.832 2.830 121 HA ALA 39 HA ALA 39 -1.390 3.466 0.263 122 1HB ALA 39 1HB ALA 39 0.701 2.991 1.541 123 2HB ALA 39 2HB ALA 39 0.022 1.419 2.037 124 3HB ALA 39 3HB ALA 39 0.404 1.724 0.339 125 HA PRO 40 HA PRO 40 -3.685 -0.410 -0.749 126 1HB PRO 40 2HB PRO 40 -2.652 -0.990 -3.193 127 2HB PRO 40 1HB PRO 40 -3.768 0.385 -2.941 128 1HG PRO 40 1HG PRO 40 -0.736 0.447 -3.069 129 2HG PRO 40 2HG PRO 40 -1.901 1.491 -3.944 130 1HD PRO 40 1HD PRO 40 -0.684 2.243 -1.605 131 2HD PRO 40 2HD PRO 40 -2.340 2.766 -2.026 132 H LYS 41 H LYS 41 -2.962 -2.679 -1.399 133 HA LYS 41 HA LYS 41 -1.202 -3.798 0.450 134 1HB LYS 41 1HB LYS 41 -3.149 -4.814 -0.844 135 2HB LYS 41 2HB LYS 41 -2.031 -5.080 -2.183 136 1HG LYS 41 1HG LYS 41 -0.670 -6.571 -0.777 137 2HG LYS 41 2HG LYS 41 -1.646 -6.165 0.650 138 1HD LYS 41 1HD LYS 41 -3.634 -7.186 -0.421 139 2HD LYS 41 2HD LYS 41 -2.664 -7.573 -1.861 140 1HE LYS 41 1HE LYS 41 -1.153 -8.967 -0.461 141 2HE LYS 41 2HE LYS 41 -2.116 -8.581 0.969 142 1HZ LYS 41 1HZ LYS 41 -3.120 -10.052 -1.413 143 2HZ LYS 41 2HZ LYS 41 -2.750 -10.726 0.025 144 3HZ LYS 41 3HZ LYS 41 -4.010 -9.697 -0.086 145 H VAL 42 H VAL 42 -0.187 -2.317 -2.424 146 HA VAL 42 HA VAL 42 2.344 -3.519 -2.953 147 HB VAL 42 HB VAL 42 1.513 -0.587 -3.056 148 1HG1 VAL 42 2HG1 VAL 42 3.795 -2.038 -4.454 149 2HG1 VAL 42 3HG1 VAL 42 3.267 -0.378 -4.811 150 3HG1 VAL 42 1HG1 VAL 42 3.945 -0.755 -3.230 151 1HG2 VAL 42 2HG2 VAL 42 1.437 -2.745 -5.213 152 2HG2 VAL 42 3HG2 VAL 42 0.026 -1.973 -4.455 153 3HG2 VAL 42 1HG2 VAL 42 1.104 -1.016 -5.467 154 H CYS 43 H CYS 43 1.311 -1.376 -0.307 155 HA CYS 43 HA CYS 43 3.953 -1.565 1.027 156 1HB CYS 43 1HB CYS 43 3.941 0.296 -0.686 157 2HB CYS 43 2HB CYS 43 2.653 1.078 0.235 158 H PHE 44 H PHE 44 3.298 0.624 2.726 159 HA PHE 44 HA PHE 44 0.705 0.073 4.040 160 1HB PHE 44 1HB PHE 44 1.557 -0.195 6.202 161 2HB PHE 44 2HB PHE 44 2.536 -1.263 5.215 162 HD1 PHE 44 HD1 PHE 44 2.508 1.575 7.479 163 HD2 PHE 44 HD2 PHE 44 4.913 -0.473 4.540 164 HE1 PHE 44 HE1 PHE 44 4.528 2.751 8.313 165 HE2 PHE 44 HE2 PHE 44 6.929 0.710 5.376 166 HZ PHE 44 HZ PHE 44 6.741 2.326 7.257 167 H LYS 45 H LYS 45 3.304 2.297 3.248 168 HA LYS 45 HA LYS 45 1.575 4.609 3.812 169 1HB LYS 45 1HB LYS 45 2.632 4.113 6.013 170 2HB LYS 45 2HB LYS 45 4.230 4.263 5.283 171 1HG LYS 45 1HG LYS 45 3.753 6.652 4.753 172 2HG LYS 45 2HG LYS 45 2.128 6.474 5.450 173 1HD LYS 45 1HD LYS 45 3.141 5.922 7.651 174 2HD LYS 45 2HD LYS 45 4.765 6.081 6.943 175 1HE LYS 45 1HE LYS 45 4.272 8.453 6.365 176 2HE LYS 45 2HE LYS 45 2.664 8.293 7.084 177 1HZ LYS 45 2HZ LYS 45 3.743 7.843 9.227 178 2HZ LYS 45 3HZ LYS 45 5.228 7.995 8.561 179 3HZ LYS 45 1HZ LYS 45 4.235 9.286 8.646 180 H CYS 46 H CYS 46 5.038 3.825 3.084 181 HA CYS 46 HA CYS 46 5.440 6.303 1.765 182 1HB CYS 46 1HB CYS 46 7.676 5.065 1.159 183 2HB CYS 46 2HB CYS 46 7.304 5.575 2.800 184 H LYS 47 H LYS 47 4.691 3.141 0.420 185 HA LYS 47 HA LYS 47 4.245 2.407 -1.707 186 1HB LYS 47 1HB LYS 47 2.176 3.387 -2.476 187 2HB LYS 47 2HB LYS 47 2.232 3.236 -0.726 188 1HG LYS 47 1HG LYS 47 2.784 5.663 -0.540 189 2HG LYS 47 2HG LYS 47 2.644 5.822 -2.293 190 1HD LYS 47 1HD LYS 47 0.300 5.271 -2.227 191 2HD LYS 47 2HD LYS 47 0.382 4.768 -0.533 192 1HE LYS 47 1HE LYS 47 1.029 7.598 -1.452 193 2HE LYS 47 2HE LYS 47 -0.600 7.084 -1.000 194 1HZ LYS 47 3HZ LYS 47 1.724 6.867 0.845 195 2HZ LYS 47 1HZ LYS 47 0.615 8.081 0.885 196 3HZ LYS 47 2HZ LYS 47 0.183 6.529 1.195 197 H GLN 48 H GLN 48 6.652 4.117 -1.994 198 HA GLN 48 HA GLN 48 6.457 5.516 -4.480 199 1HB GLN 48 1HB GLN 48 8.893 4.274 -3.136 200 2HB GLN 48 2HB GLN 48 8.951 5.416 -4.471 201 1HG GLN 48 1HG GLN 48 7.931 5.964 -1.656 202 2HG GLN 48 2HG GLN 48 9.407 6.564 -2.386 203 1HE2 GLN 48 2HE2 GLN 48 6.067 7.238 -1.888 204 2HE2 GLN 48 1HE2 GLN 48 5.985 8.636 -2.966 205 HA PRO 49 HA PRO 49 6.025 2.763 -7.668 206 1HB PRO 49 2HB PRO 49 8.572 3.764 -8.960 207 2HB PRO 49 1HB PRO 49 6.967 3.488 -9.710 208 1HG PRO 49 1HG PRO 49 7.678 5.978 -8.968 209 2HG PRO 49 2HG PRO 49 6.031 5.376 -8.578 210 1HD PRO 49 1HD PRO 49 8.441 5.583 -6.775 211 2HD PRO 49 2HD PRO 49 6.729 5.968 -6.446 212 H GLY 50 H GLY 50 9.231 2.245 -6.291 213 1HA GLY 50 2HA GLY 50 10.424 0.222 -7.571 214 2HA GLY 50 1HA GLY 50 9.007 -0.643 -6.978 215 H HIS 51 H HIS 51 9.699 1.562 -4.581 216 HA HIS 51 HA HIS 51 12.022 0.536 -3.323 217 1HB HIS 51 1HB HIS 51 11.448 1.929 -1.538 218 2HB HIS 51 2HB HIS 51 10.729 2.746 -2.917 219 HD1 HIS 51 HD1 HIS 51 7.848 1.878 -3.151 220 HD2 HIS 51 HD2 HIS 51 9.955 1.464 0.476 221 HE1 HIS 51 HE1 HIS 51 6.130 1.296 -1.375 222 H PHE 52 H PHE 52 8.729 -0.653 -3.239 223 HA PHE 52 HA PHE 52 8.625 -1.704 -0.660 224 1HB PHE 52 1HB PHE 52 6.709 -3.092 -1.620 225 2HB PHE 52 2HB PHE 52 6.599 -1.350 -1.716 226 HD1 PHE 52 HD1 PHE 52 6.551 -0.177 -3.835 227 HD2 PHE 52 HD2 PHE 52 7.130 -4.453 -3.709 228 HE1 PHE 52 HE1 PHE 52 6.160 -0.303 -6.273 229 HE2 PHE 52 HE2 PHE 52 6.758 -4.568 -6.157 230 HZ PHE 52 HZ PHE 52 6.277 -2.493 -7.448 231 H SER 53 H SER 53 9.596 -3.438 -3.638 232 HA SER 53 HA SER 53 9.967 -6.007 -2.527 233 1HB SER 53 1HB SER 53 11.511 -4.681 -4.791 234 2HB SER 53 2HB SER 53 11.375 -6.426 -4.490 235 HG SER 53 HG SER 53 9.874 -5.703 -6.070 236 H LYS 54 H LYS 54 11.731 -3.250 -1.692 237 HA LYS 54 HA LYS 54 14.070 -4.818 -0.660 238 1HB LYS 54 1HB LYS 54 14.045 -1.950 -1.684 239 2HB LYS 54 2HB LYS 54 15.453 -2.847 -1.132 240 1HG LYS 54 1HG LYS 54 13.826 -3.478 -3.634 241 2HG LYS 54 2HG LYS 54 15.362 -2.622 -3.579 242 1HD LYS 54 1HD LYS 54 16.515 -4.606 -2.719 243 2HD LYS 54 2HD LYS 54 14.988 -5.507 -2.658 244 1HE LYS 54 1HE LYS 54 14.708 -5.189 -5.113 245 2HE LYS 54 2HE LYS 54 16.258 -4.341 -5.172 246 1HZ LYS 54 1HZ LYS 54 15.895 -7.171 -4.326 247 2HZ LYS 54 2HZ LYS 54 16.500 -6.688 -5.762 248 3HZ LYS 54 3HZ LYS 54 17.330 -6.388 -4.389 249 H GLN 55 H GLN 55 11.347 -3.429 0.469 250 HA GLN 55 HA GLN 55 12.598 -2.699 3.052 251 1HB GLN 55 1HB GLN 55 12.574 -0.622 1.579 252 2HB GLN 55 2HB GLN 55 10.812 -0.719 1.583 253 1HG GLN 55 1HG GLN 55 10.925 -0.597 4.142 254 2HG GLN 55 2HG GLN 55 12.658 -0.307 3.981 255 1HE2 GLN 55 1HE2 GLN 55 9.425 1.000 3.454 256 2HE2 GLN 55 2HE2 GLN 55 9.935 2.661 3.188 257 H CYS 56 H CYS 56 9.475 -2.886 1.272 258 HA CYS 56 HA CYS 56 8.050 -3.189 3.873 259 1HB CYS 56 1HB CYS 56 7.105 -2.141 1.174 260 2HB CYS 56 2HB CYS 56 6.149 -2.211 2.658 261 H ARG 57 H ARG 57 8.455 -4.729 0.759 262 HA ARG 57 HA ARG 57 6.704 -7.050 1.533 263 1HB ARG 57 1HB ARG 57 7.322 -5.962 -1.247 264 2HB ARG 57 2HB ARG 57 6.335 -7.372 -0.903 265 1HG ARG 57 1HG ARG 57 5.608 -4.503 -0.185 266 2HG ARG 57 2HG ARG 57 5.025 -5.425 -1.563 267 1HD ARG 57 1HD ARG 57 3.258 -5.722 -0.179 268 2HD ARG 57 2HD ARG 57 4.194 -7.141 0.281 269 HE ARG 57 HE ARG 57 5.083 -5.774 2.206 270 1HH1 ARG 57 1HH2 ARG 57 2.011 -4.674 0.875 271 2HH1 ARG 57 2HH2 ARG 57 1.780 -3.572 2.205 272 1HH2 ARG 57 1HH1 ARG 57 4.650 -4.504 3.848 273 2HH2 ARG 57 2HH1 ARG 57 3.124 -3.649 3.961 274 H SER 58 H SER 58 9.835 -6.132 1.284 275 HA SER 58 HA SER 58 11.240 -8.152 -0.117 276 1HB SER 58 1HB SER 58 13.102 -7.523 1.508 277 2HB SER 58 2HB SER 58 12.432 -6.236 0.501 278 HG SER 58 HG SER 58 11.658 -6.773 3.195 No H/Q in entry = 278 Start of MODEL 23 1 H1 GLN 22 H1 GLN 22 -8.059 -0.026 -7.095 2 H2 GLN 22 H3 GLN 22 -7.317 1.127 -6.194 3 H3 GLN 22 H2 GLN 22 -6.769 0.775 -7.709 4 HA GLN 22 HA GLN 22 -6.076 -1.396 -7.053 5 1HB GLN 22 1HB GLN 22 -5.037 0.572 -4.978 6 2HB GLN 22 2HB GLN 22 -4.228 -0.865 -5.578 7 1HG GLN 22 1HG GLN 22 -4.718 1.702 -7.143 8 2HG GLN 22 2HG GLN 22 -3.206 1.136 -6.462 9 1HE2 GLN 22 2HE2 GLN 22 -1.844 0.346 -8.081 10 2HE2 GLN 22 1HE2 GLN 22 -2.429 -0.555 -9.476 11 H THR 23 H THR 23 -5.243 -2.293 -4.578 12 HA THR 23 HA THR 23 -7.788 -2.817 -3.075 13 HB THR 23 HB THR 23 -5.495 -4.713 -3.720 14 HG1 THR 23 HG1 THR 23 -6.847 -4.456 -5.455 15 1HG2 THR 23 1HG2 THR 23 -8.084 -5.268 -2.209 16 2HG2 THR 23 2HG2 THR 23 -6.911 -6.482 -2.751 17 3HG2 THR 23 3HG2 THR 23 -6.441 -5.306 -1.521 18 H CYS 24 H CYS 24 -7.659 -2.829 -0.851 19 HA CYS 24 HA CYS 24 -5.809 -1.082 0.319 20 1HB CYS 24 1HB CYS 24 -8.208 -1.719 0.995 21 2HB CYS 24 2HB CYS 24 -7.496 -3.111 1.824 22 H TYR 25 H TYR 25 -4.232 -1.261 1.869 23 HA TYR 25 HA TYR 25 -2.607 -3.676 2.111 24 1HB TYR 25 1HB TYR 25 -1.124 -2.400 3.284 25 2HB TYR 25 2HB TYR 25 -1.802 -1.211 2.195 26 HD1 TYR 25 HD1 TYR 25 -0.725 -1.742 5.450 27 HD2 TYR 25 HD2 TYR 25 -4.061 0.020 3.350 28 HE1 TYR 25 HE1 TYR 25 -1.242 -0.342 7.438 29 HE2 TYR 25 HE2 TYR 25 -4.594 1.379 5.354 30 HH TYR 25 HH TYR 25 -2.675 1.187 8.364 31 H ASN 26 H ASN 26 -5.419 -2.556 3.727 32 HA ASN 26 HA ASN 26 -4.914 -4.292 6.132 33 1HB ASN 26 1HB ASN 26 -4.343 -1.997 6.653 34 2HB ASN 26 2HB ASN 26 -5.828 -1.388 5.925 35 1HD2 ASN 26 1HD2 ASN 26 -7.785 -1.457 7.132 36 2HD2 ASN 26 2HD2 ASN 26 -7.778 -1.939 8.821 37 H CYS 27 H CYS 27 -7.473 -2.499 4.331 38 HA CYS 27 HA CYS 27 -9.610 -3.646 5.814 39 1HB CYS 27 1HB CYS 27 -9.630 -2.211 3.125 40 2HB CYS 27 2HB CYS 27 -11.008 -2.435 4.208 41 H GLY 28 H GLY 28 -7.847 -4.998 3.177 42 1HA GLY 28 2HA GLY 28 -9.361 -7.400 2.958 43 2HA GLY 28 1HA GLY 28 -8.166 -6.816 1.790 44 H LYS 29 H LYS 29 -9.298 -4.521 0.820 45 HA LYS 29 HA LYS 29 -11.794 -5.377 -0.543 46 1HB LYS 29 1HB LYS 29 -11.653 -3.454 1.603 47 2HB LYS 29 2HB LYS 29 -11.834 -2.523 0.149 48 1HG LYS 29 1HG LYS 29 -13.991 -2.952 1.159 49 2HG LYS 29 2HG LYS 29 -13.899 -3.663 -0.444 50 1HD LYS 29 1HD LYS 29 -15.064 -5.163 1.105 51 2HD LYS 29 2HD LYS 29 -13.573 -5.907 0.543 52 1HE LYS 29 1HE LYS 29 -12.541 -4.838 2.735 53 2HE LYS 29 2HE LYS 29 -14.219 -4.720 3.265 54 1HZ LYS 29 1HZ LYS 29 -12.809 -7.194 2.414 55 2HZ LYS 29 2HZ LYS 29 -13.157 -6.797 3.958 56 3HZ LYS 29 3HZ LYS 29 -14.376 -7.152 2.920 57 HA PRO 30 HA PRO 30 -9.863 -3.137 -4.031 58 1HB PRO 30 2HB PRO 30 -11.937 -3.167 -5.787 59 2HB PRO 30 1HB PRO 30 -11.037 -4.650 -5.363 60 1HG PRO 30 1HG PRO 30 -13.652 -3.668 -4.170 61 2HG PRO 30 2HG PRO 30 -13.292 -5.285 -4.859 62 1HD PRO 30 1HD PRO 30 -13.137 -4.778 -2.192 63 2HD PRO 30 2HD PRO 30 -12.000 -5.897 -2.991 64 H GLY 31 H GLY 31 -11.084 -1.217 -5.525 65 1HA GLY 31 2HA GLY 31 -12.846 0.590 -4.175 66 2HA GLY 31 1HA GLY 31 -11.805 0.977 -5.552 67 H HIS 32 H HIS 32 -9.346 0.224 -4.058 68 HA HIS 32 HA HIS 32 -9.189 2.391 -2.012 69 1HB HIS 32 1HB HIS 32 -8.103 -0.401 -2.166 70 2HB HIS 32 2HB HIS 32 -7.118 0.824 -1.375 71 HD1 HIS 32 HD1 HIS 32 -10.730 -0.598 -1.011 72 HD2 HIS 32 HD2 HIS 32 -7.699 1.477 1.038 73 HE1 HIS 32 HE1 HIS 32 -11.502 -0.399 1.421 74 H LEU 33 H LEU 33 -7.460 3.644 -1.831 75 HA LEU 33 HA LEU 33 -5.382 3.980 -3.870 76 1HB LEU 33 1HB LEU 33 -7.729 5.906 -3.444 77 2HB LEU 33 2HB LEU 33 -6.258 6.351 -4.296 78 HG LEU 33 HG LEU 33 -8.238 4.244 -5.243 79 1HD1 LEU 33 2HD1 LEU 33 -9.134 6.526 -5.323 80 2HD1 LEU 33 3HD1 LEU 33 -7.696 7.074 -6.211 81 3HD1 LEU 33 1HD1 LEU 33 -8.813 5.904 -6.949 82 1HD2 LEU 33 1HD2 LEU 33 -5.790 5.465 -6.607 83 2HD2 LEU 33 2HD2 LEU 33 -5.935 3.782 -6.056 84 3HD2 LEU 33 3HD2 LEU 33 -6.966 4.370 -7.368 85 H SER 34 H SER 34 -4.114 6.020 -3.261 86 HA SER 34 HA SER 34 -3.383 6.348 -0.568 87 1HB SER 34 1HB SER 34 -3.327 8.436 -2.778 88 2HB SER 34 2HB SER 34 -2.300 8.398 -1.332 89 HG SER 34 HG SER 34 -1.363 7.524 -3.338 90 H SER 35 H SER 35 -6.212 7.639 -2.167 91 HA SER 35 HA SER 35 -6.814 9.631 -0.075 92 1HB SER 35 1HB SER 35 -8.772 10.093 -1.549 93 2HB SER 35 2HB SER 35 -7.211 10.259 -2.369 94 HG SER 35 HG SER 35 -8.751 9.063 -3.609 95 H GLN 36 H GLN 36 -7.291 6.301 -0.393 96 HA GLN 36 HA GLN 36 -9.875 6.291 1.117 97 1HB GLN 36 1HB GLN 36 -9.554 5.022 -1.122 98 2HB GLN 36 2HB GLN 36 -8.490 3.945 -0.216 99 1HG GLN 36 1HG GLN 36 -10.571 2.857 -0.214 100 2HG GLN 36 2HG GLN 36 -10.489 3.573 1.389 101 1HE2 GLN 36 2HE2 GLN 36 -12.110 3.604 -1.758 102 2HE2 GLN 36 1HE2 GLN 36 -13.378 4.731 -1.276 103 H CYS 37 H CYS 37 -6.565 4.971 1.091 104 HA CYS 37 HA CYS 37 -6.481 4.778 4.040 105 1HB CYS 37 1HB CYS 37 -6.085 2.488 2.075 106 2HB CYS 37 2HB CYS 37 -5.228 2.508 3.600 107 H ARG 38 H ARG 38 -4.192 4.309 4.730 108 HA ARG 38 HA ARG 38 -2.376 6.268 3.766 109 1HB ARG 38 1HB ARG 38 -1.959 3.798 5.500 110 2HB ARG 38 2HB ARG 38 -0.693 4.984 5.188 111 1HG ARG 38 1HG ARG 38 -1.471 6.419 6.698 112 2HG ARG 38 2HG ARG 38 -3.089 6.410 6.020 113 1HD ARG 38 1HD ARG 38 -1.992 4.350 7.979 114 2HD ARG 38 2HD ARG 38 -2.999 5.723 8.425 115 HE ARG 38 HE ARG 38 -3.860 3.195 7.341 116 1HH1 ARG 38 1HH1 ARG 38 -4.868 6.557 7.509 117 2HH1 ARG 38 2HH1 ARG 38 -6.536 6.157 7.211 118 1HH2 ARG 38 2HH2 ARG 38 -5.993 2.778 6.932 119 2HH2 ARG 38 1HH2 ARG 38 -7.137 4.075 6.833 120 H ALA 39 H ALA 39 -2.649 2.896 2.750 121 HA ALA 39 HA ALA 39 -1.345 3.608 0.278 122 1HB ALA 39 3HB ALA 39 0.669 3.056 1.639 123 2HB ALA 39 1HB ALA 39 -0.060 1.486 2.063 124 3HB ALA 39 2HB ALA 39 0.414 1.823 0.395 125 HA PRO 40 HA PRO 40 -3.659 -0.184 -0.956 126 1HB PRO 40 2HB PRO 40 -2.530 -0.735 -3.361 127 2HB PRO 40 1HB PRO 40 -3.604 0.677 -3.123 128 1HG PRO 40 1HG PRO 40 -0.568 0.633 -3.096 129 2HG PRO 40 2HG PRO 40 -1.648 1.731 -4.014 130 1HD PRO 40 1HD PRO 40 -0.546 2.402 -1.595 131 2HD PRO 40 2HD PRO 40 -2.160 2.982 -2.096 132 H LYS 41 H LYS 41 -3.002 -2.449 -1.537 133 HA LYS 41 HA LYS 41 -1.420 -3.640 0.384 134 1HB LYS 41 1HB LYS 41 -3.268 -4.563 -1.153 135 2HB LYS 41 2HB LYS 41 -1.993 -4.903 -2.322 136 1HG LYS 41 1HG LYS 41 -0.896 -6.411 -0.700 137 2HG LYS 41 2HG LYS 41 -2.080 -5.960 0.545 138 1HD LYS 41 1HD LYS 41 -3.905 -6.866 -0.894 139 2HD LYS 41 2HD LYS 41 -2.710 -7.390 -2.084 140 1HE LYS 41 1HE LYS 41 -2.824 -8.316 0.827 141 2HE LYS 41 2HE LYS 41 -3.544 -9.187 -0.528 142 1HZ LYS 41 1HZ LYS 41 -1.315 -9.407 -1.497 143 2HZ LYS 41 2HZ LYS 41 -0.640 -8.644 -0.214 144 3HZ LYS 41 3HZ LYS 41 -1.372 -10.085 -0.017 145 H VAL 42 H VAL 42 -0.134 -2.308 -2.492 146 HA VAL 42 HA VAL 42 2.358 -3.619 -2.819 147 HB VAL 42 HB VAL 42 1.688 -0.656 -3.087 148 1HG1 VAL 42 3HG1 VAL 42 3.918 -2.297 -4.352 149 2HG1 VAL 42 1HG1 VAL 42 3.499 -0.629 -4.795 150 3HG1 VAL 42 2HG1 VAL 42 4.113 -0.972 -3.182 151 1HG2 VAL 42 1HG2 VAL 42 1.533 -2.906 -5.141 152 2HG2 VAL 42 2HG2 VAL 42 0.157 -2.002 -4.471 153 3HG2 VAL 42 3HG2 VAL 42 1.330 -1.177 -5.493 154 H CYS 43 H CYS 43 1.316 -1.345 -0.319 155 HA CYS 43 HA CYS 43 3.875 -1.563 1.156 156 1HB CYS 43 1HB CYS 43 3.983 0.276 -0.586 157 2HB CYS 43 2HB CYS 43 2.655 1.084 0.256 158 H PHE 44 H PHE 44 3.279 0.525 2.872 159 HA PHE 44 HA PHE 44 0.564 0.187 4.022 160 1HB PHE 44 1HB PHE 44 1.320 -0.137 6.228 161 2HB PHE 44 2HB PHE 44 2.208 -1.300 5.261 162 HD1 PHE 44 HD1 PHE 44 2.427 1.496 7.558 163 HD2 PHE 44 HD2 PHE 44 4.667 -0.744 4.628 164 HE1 PHE 44 HE1 PHE 44 4.542 2.427 8.461 165 HE2 PHE 44 HE2 PHE 44 6.777 0.200 5.528 166 HZ PHE 44 HZ PHE 44 6.723 1.785 7.443 167 H LYS 45 H LYS 45 3.227 2.243 3.198 168 HA LYS 45 HA LYS 45 1.817 4.683 4.092 169 1HB LYS 45 1HB LYS 45 2.993 3.937 6.124 170 2HB LYS 45 2HB LYS 45 4.509 3.812 5.232 171 1HG LYS 45 1HG LYS 45 4.428 6.312 4.850 172 2HG LYS 45 2HG LYS 45 2.924 6.366 5.779 173 1HD LYS 45 1HD LYS 45 4.756 7.039 7.196 174 2HD LYS 45 2HD LYS 45 4.160 5.474 7.767 175 1HE LYS 45 1HE LYS 45 6.032 4.328 6.611 176 2HE LYS 45 2HE LYS 45 6.585 5.869 5.948 177 1HZ LYS 45 2HZ LYS 45 6.495 5.203 8.844 178 2HZ LYS 45 3HZ LYS 45 7.846 5.251 7.930 179 3HZ LYS 45 1HZ LYS 45 7.015 6.621 8.224 180 H CYS 46 H CYS 46 5.146 3.710 3.095 181 HA CYS 46 HA CYS 46 5.601 6.205 1.824 182 1HB CYS 46 1HB CYS 46 7.762 4.802 1.118 183 2HB CYS 46 2HB CYS 46 7.500 5.451 2.731 184 H LYS 47 H LYS 47 4.725 3.089 0.458 185 HA LYS 47 HA LYS 47 4.210 2.392 -1.667 186 1HB LYS 47 1HB LYS 47 2.160 3.464 -2.390 187 2HB LYS 47 2HB LYS 47 2.241 3.270 -0.645 188 1HG LYS 47 1HG LYS 47 2.869 5.666 -0.405 189 2HG LYS 47 2HG LYS 47 2.731 5.879 -2.152 190 1HD LYS 47 1HD LYS 47 0.372 5.422 -2.095 191 2HD LYS 47 2HD LYS 47 0.436 4.853 -0.421 192 1HE LYS 47 1HE LYS 47 1.198 7.689 -1.218 193 2HE LYS 47 2HE LYS 47 -0.458 7.226 -0.810 194 1HZ LYS 47 1HZ LYS 47 1.830 6.839 1.052 195 2HZ LYS 47 2HZ LYS 47 0.767 8.090 1.128 196 3HZ LYS 47 3HZ LYS 47 0.267 6.547 1.369 197 H GLN 48 H GLN 48 6.662 4.042 -1.976 198 HA GLN 48 HA GLN 48 6.456 5.436 -4.473 199 1HB GLN 48 1HB GLN 48 8.888 4.182 -3.137 200 2HB GLN 48 2HB GLN 48 8.948 5.313 -4.482 201 1HG GLN 48 1HG GLN 48 7.979 5.890 -1.656 202 2HG GLN 48 2HG GLN 48 9.443 6.474 -2.419 203 1HE2 GLN 48 2HE2 GLN 48 6.125 7.180 -1.848 204 2HE2 GLN 48 1HE2 GLN 48 6.027 8.572 -2.934 205 HA PRO 49 HA PRO 49 5.999 2.606 -7.611 206 1HB PRO 49 2HB PRO 49 8.537 3.589 -8.933 207 2HB PRO 49 1HB PRO 49 6.928 3.294 -9.670 208 1HG PRO 49 1HG PRO 49 7.642 5.802 -8.984 209 2HG PRO 49 2HG PRO 49 6.000 5.207 -8.574 210 1HD PRO 49 1HD PRO 49 8.415 5.450 -6.784 211 2HD PRO 49 2HD PRO 49 6.704 5.847 -6.457 212 H GLY 50 H GLY 50 9.240 2.179 -6.266 213 1HA GLY 50 2HA GLY 50 10.456 0.146 -7.476 214 2HA GLY 50 1HA GLY 50 9.061 -0.739 -6.862 215 H HIS 51 H HIS 51 9.661 1.508 -4.497 216 HA HIS 51 HA HIS 51 12.016 0.596 -3.212 217 1HB HIS 51 1HB HIS 51 11.359 1.950 -1.423 218 2HB HIS 51 2HB HIS 51 10.644 2.744 -2.815 219 HD1 HIS 51 HD1 HIS 51 7.791 1.759 -3.105 220 HD2 HIS 51 HD2 HIS 51 9.841 1.464 0.568 221 HE1 HIS 51 HE1 HIS 51 6.063 1.135 -1.357 222 H PHE 52 H PHE 52 8.772 -0.756 -3.141 223 HA PHE 52 HA PHE 52 8.796 -1.935 -0.602 224 1HB PHE 52 1HB PHE 52 6.920 -3.335 -1.483 225 2HB PHE 52 2HB PHE 52 6.742 -1.608 -1.689 226 HD1 PHE 52 HD1 PHE 52 6.743 -0.553 -3.907 227 HD2 PHE 52 HD2 PHE 52 7.248 -4.818 -3.462 228 HE1 PHE 52 HE1 PHE 52 6.315 -0.862 -6.325 229 HE2 PHE 52 HE2 PHE 52 6.824 -5.114 -5.887 230 HZ PHE 52 HZ PHE 52 6.361 -3.137 -7.325 231 H SER 53 H SER 53 9.844 -3.401 -3.699 232 HA SER 53 HA SER 53 10.438 -5.989 -2.805 233 1HB SER 53 1HB SER 53 11.897 -4.354 -4.914 234 2HB SER 53 2HB SER 53 11.901 -6.124 -4.767 235 HG SER 53 HG SER 53 10.360 -5.391 -6.303 236 H LYS 54 H LYS 54 12.013 -3.197 -1.695 237 HA LYS 54 HA LYS 54 14.193 -4.821 -0.492 238 1HB LYS 54 1HB LYS 54 15.831 -3.072 -0.932 239 2HB LYS 54 2HB LYS 54 15.152 -3.699 -2.429 240 1HG LYS 54 1HG LYS 54 13.714 -1.707 -2.665 241 2HG LYS 54 2HG LYS 54 14.252 -1.104 -1.091 242 1HD LYS 54 1HD LYS 54 15.409 0.108 -2.804 243 2HD LYS 54 2HD LYS 54 16.578 -0.928 -1.972 244 1HE LYS 54 1HE LYS 54 16.407 -2.589 -3.829 245 2HE LYS 54 2HE LYS 54 15.224 -1.554 -4.641 246 1HZ LYS 54 3HZ LYS 54 16.951 0.162 -4.813 247 2HZ LYS 54 1HZ LYS 54 18.042 -0.800 -4.064 248 3HZ LYS 54 2HZ LYS 54 17.457 -1.212 -5.530 249 H GLN 55 H GLN 55 11.532 -3.475 0.422 250 HA GLN 55 HA GLN 55 12.633 -2.761 3.049 251 1HB GLN 55 1HB GLN 55 12.600 -0.593 1.717 252 2HB GLN 55 2HB GLN 55 10.843 -0.741 1.640 253 1HG GLN 55 1HG GLN 55 10.863 -0.827 4.209 254 2HG GLN 55 2HG GLN 55 12.586 -0.452 4.132 255 1HE2 GLN 55 1HE2 GLN 55 9.317 0.754 3.573 256 2HE2 GLN 55 2HE2 GLN 55 9.758 2.449 3.436 257 H CYS 56 H CYS 56 9.541 -2.667 1.205 258 HA CYS 56 HA CYS 56 8.066 -3.445 3.649 259 1HB CYS 56 1HB CYS 56 7.115 -2.204 1.036 260 2HB CYS 56 2HB CYS 56 6.150 -2.453 2.492 261 H ARG 57 H ARG 57 9.192 -4.997 0.930 262 HA ARG 57 HA ARG 57 7.466 -7.358 1.283 263 1HB ARG 57 1HB ARG 57 6.659 -5.544 -0.549 264 2HB ARG 57 2HB ARG 57 7.905 -6.281 -1.528 265 1HG ARG 57 1HG ARG 57 5.641 -7.189 -1.940 266 2HG ARG 57 2HG ARG 57 6.755 -8.450 -1.424 267 1HD ARG 57 1HD ARG 57 4.452 -8.585 -0.395 268 2HD ARG 57 2HD ARG 57 5.773 -8.578 0.754 269 HE ARG 57 HE ARG 57 5.228 -6.388 1.469 270 1HH1 ARG 57 2HH2 ARG 57 3.009 -7.273 -1.124 271 2HH1 ARG 57 1HH2 ARG 57 1.953 -5.923 -0.720 272 1HH2 ARG 57 2HH1 ARG 57 3.799 -4.766 1.866 273 2HH2 ARG 57 1HH1 ARG 57 2.365 -4.606 0.860 274 H SER 58 H SER 58 10.356 -6.564 1.644 275 HA SER 58 HA SER 58 12.187 -7.663 -0.116 276 1HB SER 58 1HB SER 58 12.305 -7.794 2.916 277 2HB SER 58 2HB SER 58 13.677 -7.878 1.796 278 HG SER 58 HG SER 58 13.337 -5.744 2.645 No H/Q in entry = 278 Start of MODEL 24 1 H1 GLN 22 H2 GLN 22 -8.097 -0.428 -6.217 2 H2 GLN 22 H1 GLN 22 -7.051 0.740 -5.752 3 H3 GLN 22 H3 GLN 22 -7.055 0.218 -7.313 4 HA GLN 22 HA GLN 22 -6.347 -1.980 -6.625 5 1HB GLN 22 1HB GLN 22 -4.635 -0.321 -7.305 6 2HB GLN 22 2HB GLN 22 -4.528 0.265 -5.648 7 1HG GLN 22 1HG GLN 22 -2.646 -1.171 -6.142 8 2HG GLN 22 2HG GLN 22 -3.639 -1.943 -4.918 9 1HE2 GLN 22 2HE2 GLN 22 -1.877 -2.672 -7.645 10 2HE2 GLN 22 1HE2 GLN 22 -2.796 -4.080 -8.158 11 H THR 23 H THR 23 -6.226 -3.501 -5.020 12 HA THR 23 HA THR 23 -7.755 -3.229 -2.754 13 HB THR 23 HB THR 23 -5.453 -5.184 -3.066 14 HG1 THR 23 HG1 THR 23 -6.967 -6.412 -4.186 15 1HG2 THR 23 3HG2 THR 23 -8.163 -5.433 -1.675 16 2HG2 THR 23 1HG2 THR 23 -6.980 -6.741 -1.876 17 3HG2 THR 23 2HG2 THR 23 -6.581 -5.354 -0.858 18 H CYS 24 H CYS 24 -7.596 -2.676 -0.700 19 HA CYS 24 HA CYS 24 -5.663 -0.971 0.338 20 1HB CYS 24 1HB CYS 24 -8.074 -1.426 1.037 21 2HB CYS 24 2HB CYS 24 -7.477 -2.836 1.909 22 H TYR 25 H TYR 25 -4.075 -1.130 1.930 23 HA TYR 25 HA TYR 25 -2.563 -3.586 2.292 24 1HB TYR 25 1HB TYR 25 -1.072 -2.346 3.479 25 2HB TYR 25 2HB TYR 25 -1.710 -1.130 2.394 26 HD1 TYR 25 HD1 TYR 25 -0.648 -1.674 5.633 27 HD2 TYR 25 HD2 TYR 25 -4.002 0.081 3.556 28 HE1 TYR 25 HE1 TYR 25 -1.168 -0.292 7.631 29 HE2 TYR 25 HE2 TYR 25 -4.543 1.415 5.576 30 HH TYR 25 HH TYR 25 -2.606 1.224 8.573 31 H ASN 26 H ASN 26 -5.405 -2.424 3.778 32 HA ASN 26 HA ASN 26 -5.070 -4.214 6.173 33 1HB ASN 26 1HB ASN 26 -4.598 -1.910 6.782 34 2HB ASN 26 2HB ASN 26 -6.035 -1.326 5.949 35 1HD2 ASN 26 2HD2 ASN 26 -8.103 -1.519 6.977 36 2HD2 ASN 26 1HD2 ASN 26 -8.206 -2.017 8.659 37 H CYS 27 H CYS 27 -7.479 -2.438 4.184 38 HA CYS 27 HA CYS 27 -9.692 -3.706 5.491 39 1HB CYS 27 1HB CYS 27 -9.609 -1.926 3.026 40 2HB CYS 27 2HB CYS 27 -11.006 -2.232 4.064 41 H GLY 28 H GLY 28 -7.817 -4.868 2.907 42 1HA GLY 28 2HA GLY 28 -9.352 -7.164 2.383 43 2HA GLY 28 1HA GLY 28 -8.060 -6.541 1.353 44 H LYS 29 H LYS 29 -9.486 -4.040 0.742 45 HA LYS 29 HA LYS 29 -11.838 -4.966 -0.860 46 1HB LYS 29 1HB LYS 29 -12.369 -3.711 1.193 47 2HB LYS 29 2HB LYS 29 -11.378 -2.376 0.643 48 1HG LYS 29 1HG LYS 29 -13.641 -1.786 0.242 49 2HG LYS 29 2HG LYS 29 -12.939 -2.110 -1.343 50 1HD LYS 29 1HD LYS 29 -14.004 -4.361 -1.354 51 2HD LYS 29 2HD LYS 29 -14.630 -4.072 0.282 52 1HE LYS 29 1HE LYS 29 -15.906 -2.107 -0.569 53 2HE LYS 29 2HE LYS 29 -15.310 -2.432 -2.202 54 1HZ LYS 29 2HZ LYS 29 -16.994 -4.288 -0.598 55 2HZ LYS 29 3HZ LYS 29 -17.517 -3.389 -1.854 56 3HZ LYS 29 1HZ LYS 29 -16.448 -4.594 -2.108 57 HA PRO 30 HA PRO 30 -9.203 -3.705 -4.317 58 1HB PRO 30 2HB PRO 30 -11.894 -3.755 -5.688 59 2HB PRO 30 1HB PRO 30 -10.310 -4.344 -6.286 60 1HG PRO 30 1HG PRO 30 -12.077 -6.093 -5.243 61 2HG PRO 30 2HG PRO 30 -10.349 -6.197 -4.771 62 1HD PRO 30 1HD PRO 30 -12.650 -4.986 -3.240 63 2HD PRO 30 2HD PRO 30 -11.301 -6.005 -2.654 64 H GLY 31 H GLY 31 -12.155 -1.869 -3.585 65 1HA GLY 31 2HA GLY 31 -12.852 0.270 -4.051 66 2HA GLY 31 1HA GLY 31 -11.639 0.356 -5.326 67 H HIS 32 H HIS 32 -9.326 -0.028 -3.599 68 HA HIS 32 HA HIS 32 -9.374 2.417 -1.896 69 1HB HIS 32 1HB HIS 32 -7.944 -0.206 -1.685 70 2HB HIS 32 2HB HIS 32 -7.132 1.232 -1.079 71 HD1 HIS 32 HD1 HIS 32 -10.499 -0.602 -0.553 72 HD2 HIS 32 HD2 HIS 32 -7.784 2.006 1.293 73 HE1 HIS 32 HE1 HIS 32 -11.359 -0.241 1.842 74 H LEU 33 H LEU 33 -7.532 3.657 -1.716 75 HA LEU 33 HA LEU 33 -5.707 4.111 -3.961 76 1HB LEU 33 1HB LEU 33 -7.997 5.998 -3.183 77 2HB LEU 33 2HB LEU 33 -6.635 6.483 -4.185 78 HG LEU 33 HG LEU 33 -8.702 4.390 -4.977 79 1HD1 LEU 33 1HD1 LEU 33 -9.634 6.655 -4.851 80 2HD1 LEU 33 2HD1 LEU 33 -8.314 7.271 -5.874 81 3HD1 LEU 33 3HD1 LEU 33 -9.494 6.112 -6.529 82 1HD2 LEU 33 2HD2 LEU 33 -6.450 5.712 -6.569 83 2HD2 LEU 33 3HD2 LEU 33 -6.512 4.004 -6.084 84 3HD2 LEU 33 1HD2 LEU 33 -7.696 4.633 -7.232 85 H SER 34 H SER 34 -4.351 6.071 -3.403 86 HA SER 34 HA SER 34 -3.305 6.214 -0.806 87 1HB SER 34 1HB SER 34 -3.339 8.343 -2.979 88 2HB SER 34 2HB SER 34 -2.220 8.287 -1.605 89 HG SER 34 HG SER 34 -1.421 7.352 -3.627 90 H SER 35 H SER 35 -6.284 7.587 -1.819 91 HA SER 35 HA SER 35 -6.426 9.381 0.572 92 1HB SER 35 1HB SER 35 -8.114 9.416 -1.954 93 2HB SER 35 2HB SER 35 -8.206 10.561 -0.602 94 HG SER 35 HG SER 35 -6.936 11.375 -2.333 95 H GLN 36 H GLN 36 -7.286 6.296 -0.231 96 HA GLN 36 HA GLN 36 -9.890 6.319 1.235 97 1HB GLN 36 1HB GLN 36 -9.486 5.096 -1.045 98 2HB GLN 36 2HB GLN 36 -8.567 3.942 -0.086 99 1HG GLN 36 1HG GLN 36 -10.688 2.965 -0.163 100 2HG GLN 36 2HG GLN 36 -10.747 3.783 1.388 101 1HE2 GLN 36 2HE2 GLN 36 -12.080 3.599 -1.870 102 2HE2 GLN 36 1HE2 GLN 36 -13.278 4.868 -1.633 103 H CYS 37 H CYS 37 -6.609 4.949 1.254 104 HA CYS 37 HA CYS 37 -6.514 4.919 4.187 105 1HB CYS 37 1HB CYS 37 -6.102 2.453 2.445 106 2HB CYS 37 2HB CYS 37 -5.218 2.645 3.937 107 H ARG 38 H ARG 38 -4.179 4.418 4.838 108 HA ARG 38 HA ARG 38 -2.368 6.319 3.771 109 1HB ARG 38 1HB ARG 38 -1.932 3.857 5.510 110 2HB ARG 38 2HB ARG 38 -0.659 5.018 5.151 111 1HG ARG 38 1HG ARG 38 -1.383 6.511 6.641 112 2HG ARG 38 2HG ARG 38 -3.041 6.445 6.076 113 1HD ARG 38 1HD ARG 38 -1.770 4.431 7.976 114 2HD ARG 38 2HD ARG 38 -2.748 5.802 8.487 115 HE ARG 38 HE ARG 38 -3.682 3.261 7.494 116 1HH1 ARG 38 2HH1 ARG 38 -4.686 6.620 7.728 117 2HH1 ARG 38 1HH1 ARG 38 -6.370 6.212 7.559 118 1HH2 ARG 38 1HH2 ARG 38 -5.831 2.835 7.239 119 2HH2 ARG 38 2HH2 ARG 38 -6.988 4.127 7.227 120 H ALA 39 H ALA 39 -2.715 2.918 2.817 121 HA ALA 39 HA ALA 39 -1.400 3.545 0.320 122 1HB ALA 39 2HB ALA 39 0.599 3.048 1.722 123 2HB ALA 39 3HB ALA 39 -0.128 1.490 2.190 124 3HB ALA 39 1HB ALA 39 0.365 1.772 0.517 125 HA PRO 40 HA PRO 40 -3.654 -0.301 -0.865 126 1HB PRO 40 2HB PRO 40 -2.426 -0.897 -3.214 127 2HB PRO 40 1HB PRO 40 -3.564 0.478 -3.065 128 1HG PRO 40 1HG PRO 40 -0.530 0.538 -2.954 129 2HG PRO 40 2HG PRO 40 -1.621 1.583 -3.920 130 1HD PRO 40 1HD PRO 40 -0.586 2.339 -1.497 131 2HD PRO 40 2HD PRO 40 -2.205 2.863 -2.042 132 H LYS 41 H LYS 41 -2.960 -2.571 -1.348 133 HA LYS 41 HA LYS 41 -1.346 -3.670 0.619 134 1HB LYS 41 1HB LYS 41 -3.204 -4.696 -0.799 135 2HB LYS 41 2HB LYS 41 -1.989 -5.003 -2.041 136 1HG LYS 41 1HG LYS 41 -0.748 -6.462 -0.479 137 2HG LYS 41 2HG LYS 41 -1.871 -6.041 0.831 138 1HD LYS 41 1HD LYS 41 -3.737 -7.073 -0.443 139 2HD LYS 41 2HD LYS 41 -2.610 -7.481 -1.759 140 1HE LYS 41 1HE LYS 41 -1.270 -8.854 -0.166 141 2HE LYS 41 2HE LYS 41 -2.405 -8.457 1.130 142 1HZ LYS 41 1HZ LYS 41 -4.153 -9.585 -0.148 143 2HZ LYS 41 2HZ LYS 41 -3.102 -9.952 -1.346 144 3HZ LYS 41 3HZ LYS 41 -2.917 -10.611 0.134 145 H VAL 42 H VAL 42 -0.136 -2.441 -2.342 146 HA VAL 42 HA VAL 42 2.367 -3.718 -2.659 147 HB VAL 42 HB VAL 42 1.685 -0.768 -3.010 148 1HG1 VAL 42 1HG1 VAL 42 3.861 -2.470 -4.290 149 2HG1 VAL 42 2HG1 VAL 42 3.444 -0.811 -4.771 150 3HG1 VAL 42 3HG1 VAL 42 4.105 -1.110 -3.168 151 1HG2 VAL 42 3HG2 VAL 42 1.447 -3.087 -4.979 152 2HG2 VAL 42 1HG2 VAL 42 0.101 -2.139 -4.304 153 3HG2 VAL 42 2HG2 VAL 42 1.254 -1.369 -5.388 154 H CYS 43 H CYS 43 1.342 -1.390 -0.206 155 HA CYS 43 HA CYS 43 3.919 -1.567 1.240 156 1HB CYS 43 1HB CYS 43 3.990 0.249 -0.527 157 2HB CYS 43 2HB CYS 43 2.676 1.065 0.331 158 H PHE 44 H PHE 44 3.304 0.576 2.908 159 HA PHE 44 HA PHE 44 0.612 0.214 4.099 160 1HB PHE 44 1HB PHE 44 1.387 -0.067 6.303 161 2HB PHE 44 2HB PHE 44 2.277 -1.236 5.346 162 HD1 PHE 44 HD1 PHE 44 2.485 1.614 7.583 163 HD2 PHE 44 HD2 PHE 44 4.726 -0.684 4.699 164 HE1 PHE 44 HE1 PHE 44 4.599 2.592 8.444 165 HE2 PHE 44 HE2 PHE 44 6.836 0.301 5.561 166 HZ PHE 44 HZ PHE 44 6.777 1.942 7.429 167 H LYS 45 H LYS 45 3.277 2.294 3.265 168 HA LYS 45 HA LYS 45 1.765 4.704 4.050 169 1HB LYS 45 1HB LYS 45 2.936 4.070 6.130 170 2HB LYS 45 2HB LYS 45 4.469 3.990 5.277 171 1HG LYS 45 1HG LYS 45 4.365 6.003 6.574 172 2HG LYS 45 2HG LYS 45 4.377 6.441 4.867 173 1HD LYS 45 1HD LYS 45 1.936 6.867 4.939 174 2HD LYS 45 2HD LYS 45 1.884 6.319 6.633 175 1HE LYS 45 1HE LYS 45 3.493 8.130 7.242 176 2HE LYS 45 2HE LYS 45 3.492 8.689 5.565 177 1HZ LYS 45 3HZ LYS 45 1.105 9.158 5.799 178 2HZ LYS 45 1HZ LYS 45 1.115 8.643 7.353 179 3HZ LYS 45 2HZ LYS 45 1.951 9.974 6.929 180 H CYS 46 H CYS 46 5.137 3.809 3.075 181 HA CYS 46 HA CYS 46 5.474 6.298 1.720 182 1HB CYS 46 1HB CYS 46 7.725 5.162 1.124 183 2HB CYS 46 2HB CYS 46 7.343 5.557 2.798 184 H LYS 47 H LYS 47 4.709 3.101 0.488 185 HA LYS 47 HA LYS 47 4.175 2.315 -1.601 186 1HB LYS 47 1HB LYS 47 2.093 3.319 -2.327 187 2HB LYS 47 2HB LYS 47 2.203 3.201 -0.576 188 1HG LYS 47 1HG LYS 47 2.784 5.610 -0.437 189 2HG LYS 47 2HG LYS 47 2.644 5.754 -2.192 190 1HD LYS 47 1HD LYS 47 0.288 5.268 -2.116 191 2HD LYS 47 2HD LYS 47 0.364 4.767 -0.420 192 1HE LYS 47 1HE LYS 47 1.083 7.577 -1.340 193 2HE LYS 47 2HE LYS 47 -0.562 7.107 -0.897 194 1HZ LYS 47 2HZ LYS 47 1.750 6.832 0.959 195 2HZ LYS 47 3HZ LYS 47 0.669 8.071 0.994 196 3HZ LYS 47 1HZ LYS 47 0.193 6.532 1.304 197 H GLN 48 H GLN 48 6.593 3.976 -2.024 198 HA GLN 48 HA GLN 48 6.310 5.314 -4.541 199 1HB GLN 48 1HB GLN 48 8.781 4.090 -3.250 200 2HB GLN 48 2HB GLN 48 8.803 5.190 -4.623 201 1HG GLN 48 1HG GLN 48 7.897 5.834 -1.789 202 2HG GLN 48 2HG GLN 48 9.350 6.397 -2.595 203 1HE2 GLN 48 2HE2 GLN 48 6.037 7.119 -1.986 204 2HE2 GLN 48 1HE2 GLN 48 5.925 8.486 -3.099 205 HA PRO 49 HA PRO 49 5.740 2.429 -7.606 206 1HB PRO 49 2HB PRO 49 8.212 3.407 -9.051 207 2HB PRO 49 1HB PRO 49 6.576 3.089 -9.712 208 1HG PRO 49 1HG PRO 49 7.302 5.612 -9.099 209 2HG PRO 49 2HG PRO 49 5.680 5.015 -8.614 210 1HD PRO 49 1HD PRO 49 8.163 5.309 -6.926 211 2HD PRO 49 2HD PRO 49 6.462 5.692 -6.538 212 H GLY 50 H GLY 50 9.068 2.077 -6.437 213 1HA GLY 50 2HA GLY 50 10.241 0.043 -7.675 214 2HA GLY 50 1HA GLY 50 8.909 -0.859 -6.954 215 H HIS 51 H HIS 51 9.431 1.323 -4.609 216 HA HIS 51 HA HIS 51 11.924 0.524 -3.434 217 1HB HIS 51 1HB HIS 51 11.305 1.873 -1.633 218 2HB HIS 51 2HB HIS 51 10.523 2.646 -2.999 219 HD1 HIS 51 HD1 HIS 51 7.675 1.662 -3.170 220 HD2 HIS 51 HD2 HIS 51 9.875 1.325 0.412 221 HE1 HIS 51 HE1 HIS 51 6.021 1.020 -1.360 222 H PHE 52 H PHE 52 8.708 -0.879 -3.260 223 HA PHE 52 HA PHE 52 8.773 -1.889 -0.670 224 1HB PHE 52 1HB PHE 52 6.874 -3.329 -1.392 225 2HB PHE 52 2HB PHE 52 6.708 -1.628 -1.762 226 HD1 PHE 52 HD1 PHE 52 6.736 -0.792 -4.088 227 HD2 PHE 52 HD2 PHE 52 7.097 -5.003 -3.204 228 HE1 PHE 52 HE1 PHE 52 6.266 -1.336 -6.458 229 HE2 PHE 52 HE2 PHE 52 6.628 -5.536 -5.580 230 HZ PHE 52 HZ PHE 52 6.215 -3.703 -7.213 231 H SER 53 H SER 53 9.694 -3.678 -3.649 232 HA SER 53 HA SER 53 10.352 -6.149 -2.496 233 1HB SER 53 1HB SER 53 11.732 -4.759 -4.823 234 2HB SER 53 2HB SER 53 11.720 -6.501 -4.493 235 HG SER 53 HG SER 53 10.137 -5.900 -6.047 236 H LYS 54 H LYS 54 11.886 -3.259 -1.729 237 HA LYS 54 HA LYS 54 14.388 -4.584 -0.757 238 1HB LYS 54 1HB LYS 54 14.042 -1.814 -1.980 239 2HB LYS 54 2HB LYS 54 15.547 -2.453 -1.319 240 1HG LYS 54 1HG LYS 54 15.633 -4.205 -3.017 241 2HG LYS 54 2HG LYS 54 14.094 -3.682 -3.709 242 1HD LYS 54 1HD LYS 54 16.590 -1.945 -3.592 243 2HD LYS 54 2HD LYS 54 16.083 -2.915 -4.984 244 1HE LYS 54 1HE LYS 54 13.913 -1.664 -5.051 245 2HE LYS 54 2HE LYS 54 14.481 -0.644 -3.722 246 1HZ LYS 54 3HZ LYS 54 15.785 -0.851 -6.385 247 2HZ LYS 54 1HZ LYS 54 14.879 0.406 -5.875 248 3HZ LYS 54 2HZ LYS 54 16.311 0.091 -5.159 249 H GLN 55 H GLN 55 11.591 -3.381 0.399 250 HA GLN 55 HA GLN 55 12.816 -2.609 2.961 251 1HB GLN 55 1HB GLN 55 12.727 -0.482 1.585 252 2HB GLN 55 2HB GLN 55 10.969 -0.643 1.543 253 1HG GLN 55 1HG GLN 55 11.015 -0.615 4.104 254 2HG GLN 55 2HG GLN 55 12.742 -0.266 4.001 255 1HE2 GLN 55 1HE2 GLN 55 9.486 0.968 3.440 256 2HE2 GLN 55 2HE2 GLN 55 9.955 2.649 3.216 257 H CYS 56 H CYS 56 9.651 -2.607 1.240 258 HA CYS 56 HA CYS 56 8.269 -3.265 3.776 259 1HB CYS 56 1HB CYS 56 7.244 -2.107 1.152 260 2HB CYS 56 2HB CYS 56 6.308 -2.320 2.636 261 H ARG 57 H ARG 57 9.293 -4.933 1.091 262 HA ARG 57 HA ARG 57 7.570 -7.265 1.613 263 1HB ARG 57 1HB ARG 57 6.723 -5.544 -0.290 264 2HB ARG 57 2HB ARG 57 7.938 -6.343 -1.261 265 1HG ARG 57 1HG ARG 57 5.660 -7.258 -1.564 266 2HG ARG 57 2HG ARG 57 6.782 -8.494 -1.006 267 1HD ARG 57 1HD ARG 57 4.512 -8.569 0.089 268 2HD ARG 57 2HD ARG 57 5.860 -8.487 1.206 269 HE ARG 57 HE ARG 57 5.323 -6.254 1.791 270 1HH1 ARG 57 2HH2 ARG 57 3.038 -7.341 -0.664 271 2HH1 ARG 57 1HH2 ARG 57 1.993 -5.961 -0.348 272 1HH2 ARG 57 1HH1 ARG 57 3.894 -4.603 2.098 273 2HH2 ARG 57 2HH1 ARG 57 2.442 -4.520 1.108 274 H SER 58 H SER 58 10.476 -6.460 1.839 275 HA SER 58 HA SER 58 12.241 -7.687 0.086 276 1HB SER 58 1HB SER 58 12.473 -7.591 3.114 277 2HB SER 58 2HB SER 58 13.800 -7.769 1.952 278 HG SER 58 HG SER 58 13.513 -5.575 2.637 No H/Q in entry = 278 Start of MODEL 25 1 H1 GLN 22 H2 GLN 22 -7.824 -0.239 -7.233 2 H2 GLN 22 H1 GLN 22 -7.090 0.904 -6.313 3 H3 GLN 22 H3 GLN 22 -6.502 0.554 -7.805 4 HA GLN 22 HA GLN 22 -5.921 -1.679 -7.100 5 1HB GLN 22 1HB GLN 22 -4.731 0.574 -5.404 6 2HB GLN 22 2HB GLN 22 -4.118 -1.065 -5.428 7 1HG GLN 22 1HG GLN 22 -2.691 -0.020 -6.852 8 2HG GLN 22 2HG GLN 22 -3.792 -0.835 -7.949 9 1HE2 GLN 22 1HE2 GLN 22 -2.206 2.110 -7.395 10 2HE2 GLN 22 2HE2 GLN 22 -3.289 3.123 -8.341 11 H THR 23 H THR 23 -5.083 -2.373 -4.490 12 HA THR 23 HA THR 23 -7.686 -2.857 -3.084 13 HB THR 23 HB THR 23 -5.366 -4.768 -3.562 14 HG1 THR 23 HG1 THR 23 -6.823 -5.803 -4.910 15 1HG2 THR 23 2HG2 THR 23 -8.092 -5.306 -2.301 16 2HG2 THR 23 3HG2 THR 23 -6.856 -6.520 -2.683 17 3HG2 THR 23 1HG2 THR 23 -6.533 -5.310 -1.440 18 H CYS 24 H CYS 24 -7.636 -2.834 -0.846 19 HA CYS 24 HA CYS 24 -5.806 -1.068 0.340 20 1HB CYS 24 1HB CYS 24 -8.235 -1.642 0.949 21 2HB CYS 24 2HB CYS 24 -7.580 -3.028 1.834 22 H TYR 25 H TYR 25 -4.248 -1.224 1.896 23 HA TYR 25 HA TYR 25 -2.675 -3.641 2.258 24 1HB TYR 25 1HB TYR 25 -1.220 -2.352 3.461 25 2HB TYR 25 2HB TYR 25 -1.866 -1.180 2.333 26 HD1 TYR 25 HD1 TYR 25 -0.858 -1.610 5.611 27 HD2 TYR 25 HD2 TYR 25 -4.196 0.023 3.413 28 HE1 TYR 25 HE1 TYR 25 -1.456 -0.191 7.563 29 HE2 TYR 25 HE2 TYR 25 -4.822 1.382 5.386 30 HH TYR 25 HH TYR 25 -2.963 1.313 8.434 31 H ASN 26 H ASN 26 -5.531 -2.461 3.804 32 HA ASN 26 HA ASN 26 -5.137 -4.288 6.158 33 1HB ASN 26 1HB ASN 26 -4.410 -2.018 6.721 34 2HB ASN 26 2HB ASN 26 -5.929 -1.341 6.131 35 1HD2 ASN 26 1HD2 ASN 26 -7.653 -1.210 7.580 36 2HD2 ASN 26 2HD2 ASN 26 -7.596 -1.918 9.187 37 H CYS 27 H CYS 27 -7.588 -2.356 4.331 38 HA CYS 27 HA CYS 27 -9.816 -3.374 5.771 39 1HB CYS 27 1HB CYS 27 -9.665 -2.084 3.013 40 2HB CYS 27 2HB CYS 27 -11.126 -2.279 3.985 41 H GLY 28 H GLY 28 -7.992 -4.921 3.278 42 1HA GLY 28 2HA GLY 28 -9.638 -7.262 3.090 43 2HA GLY 28 1HA GLY 28 -8.314 -6.820 2.003 44 H LYS 29 H LYS 29 -9.391 -4.366 1.044 45 HA LYS 29 HA LYS 29 -11.889 -5.125 -0.413 46 1HB LYS 29 1HB LYS 29 -11.113 -2.656 1.159 47 2HB LYS 29 2HB LYS 29 -12.236 -2.485 -0.166 48 1HG LYS 29 1HG LYS 29 -12.676 -4.412 2.148 49 2HG LYS 29 2HG LYS 29 -13.253 -2.750 2.134 50 1HD LYS 29 1HD LYS 29 -14.088 -4.921 0.160 51 2HD LYS 29 2HD LYS 29 -15.024 -4.332 1.536 52 1HE LYS 29 1HE LYS 29 -15.020 -2.031 0.529 53 2HE LYS 29 2HE LYS 29 -14.190 -2.675 -0.892 54 1HZ LYS 29 2HZ LYS 29 -16.119 -4.145 -1.254 55 2HZ LYS 29 3HZ LYS 29 -16.882 -3.513 0.046 56 3HZ LYS 29 1HZ LYS 29 -16.578 -2.580 -1.254 57 HA PRO 30 HA PRO 30 -9.778 -3.260 -4.032 58 1HB PRO 30 2HB PRO 30 -11.818 -3.357 -5.809 59 2HB PRO 30 1HB PRO 30 -11.009 -4.843 -5.244 60 1HG PRO 30 1HG PRO 30 -13.589 -3.628 -4.200 61 2HG PRO 30 2HG PRO 30 -13.300 -5.319 -4.729 62 1HD PRO 30 1HD PRO 30 -13.158 -4.525 -2.109 63 2HD PRO 30 2HD PRO 30 -12.125 -5.828 -2.765 64 H GLY 31 H GLY 31 -10.916 -1.405 -5.658 65 1HA GLY 31 2HA GLY 31 -12.666 0.524 -4.482 66 2HA GLY 31 1HA GLY 31 -11.562 0.805 -5.836 67 H HIS 32 H HIS 32 -9.173 0.107 -4.255 68 HA HIS 32 HA HIS 32 -9.051 2.312 -2.251 69 1HB HIS 32 1HB HIS 32 -8.159 -0.537 -2.252 70 2HB HIS 32 2HB HIS 32 -7.058 0.623 -1.520 71 HD1 HIS 32 HD1 HIS 32 -10.757 -0.490 -1.089 72 HD2 HIS 32 HD2 HIS 32 -7.595 1.493 0.845 73 HE1 HIS 32 HE1 HIS 32 -11.514 -0.098 1.331 74 H LEU 33 H LEU 33 -7.285 3.484 -1.981 75 HA LEU 33 HA LEU 33 -5.061 3.684 -3.877 76 1HB LEU 33 1HB LEU 33 -7.356 5.703 -3.657 77 2HB LEU 33 2HB LEU 33 -5.805 6.097 -4.383 78 HG LEU 33 HG LEU 33 -7.761 4.044 -5.485 79 1HD1 LEU 33 3HD1 LEU 33 -8.566 6.354 -5.665 80 2HD1 LEU 33 1HD1 LEU 33 -7.034 6.843 -6.422 81 3HD1 LEU 33 2HD1 LEU 33 -8.120 5.703 -7.252 82 1HD2 LEU 33 2HD2 LEU 33 -5.155 5.161 -6.623 83 2HD2 LEU 33 3HD2 LEU 33 -5.421 3.486 -6.087 84 3HD2 LEU 33 1HD2 LEU 33 -6.298 4.110 -7.488 85 H SER 34 H SER 34 -3.827 5.773 -3.251 86 HA SER 34 HA SER 34 -3.270 6.094 -0.467 87 1HB SER 34 1HB SER 34 -2.102 8.159 -1.257 88 2HB SER 34 2HB SER 34 -1.672 6.694 -2.164 89 HG SER 34 HG SER 34 -2.104 8.496 -3.544 90 H SER 35 H SER 35 -5.870 7.400 -2.389 91 HA SER 35 HA SER 35 -6.607 9.479 -0.429 92 1HB SER 35 1HB SER 35 -8.409 9.947 -2.069 93 2HB SER 35 2HB SER 35 -6.788 10.013 -2.777 94 HG SER 35 HG SER 35 -8.291 8.830 -4.075 95 H GLN 36 H GLN 36 -7.050 6.173 -0.523 96 HA GLN 36 HA GLN 36 -9.752 6.272 0.776 97 1HB GLN 36 1HB GLN 36 -9.369 4.978 -1.446 98 2HB GLN 36 2HB GLN 36 -8.423 3.855 -0.470 99 1HG GLN 36 1HG GLN 36 -10.550 2.877 -0.579 100 2HG GLN 36 2HG GLN 36 -10.539 3.616 1.015 101 1HE2 GLN 36 2HE2 GLN 36 -11.969 3.639 -2.211 102 2HE2 GLN 36 1HE2 GLN 36 -13.196 4.852 -1.843 103 H CYS 37 H CYS 37 -6.475 4.892 0.967 104 HA CYS 37 HA CYS 37 -6.598 4.816 3.910 105 1HB CYS 37 1HB CYS 37 -6.175 2.426 2.100 106 2HB CYS 37 2HB CYS 37 -5.225 2.531 3.561 107 H ARG 38 H ARG 38 -4.348 4.351 4.765 108 HA ARG 38 HA ARG 38 -2.458 6.270 3.923 109 1HB ARG 38 1HB ARG 38 -2.108 3.736 5.586 110 2HB ARG 38 2HB ARG 38 -0.862 4.960 5.382 111 1HG ARG 38 1HG ARG 38 -1.688 6.157 7.045 112 2HG ARG 38 2HG ARG 38 -3.183 6.422 6.166 113 1HD ARG 38 1HD ARG 38 -2.608 4.024 7.960 114 2HD ARG 38 2HD ARG 38 -3.447 5.470 8.490 115 HE ARG 38 HE ARG 38 -4.544 3.260 7.001 116 1HH1 ARG 38 2HH2 ARG 38 -5.075 6.633 7.782 117 2HH1 ARG 38 1HH2 ARG 38 -6.761 6.567 7.354 118 1HH2 ARG 38 2HH1 ARG 38 -6.697 3.332 6.221 119 2HH2 ARG 38 1HH1 ARG 38 -7.637 4.745 6.546 120 H ALA 39 H ALA 39 -2.713 2.915 2.848 121 HA ALA 39 HA ALA 39 -1.361 3.646 0.409 122 1HB ALA 39 2HB ALA 39 0.628 3.079 1.807 123 2HB ALA 39 3HB ALA 39 -0.108 1.503 2.194 124 3HB ALA 39 1HB ALA 39 0.394 1.867 0.537 125 HA PRO 40 HA PRO 40 -3.667 -0.159 -0.858 126 1HB PRO 40 2HB PRO 40 -2.507 -0.695 -3.253 127 2HB PRO 40 1HB PRO 40 -3.624 0.685 -3.034 128 1HG PRO 40 1HG PRO 40 -0.589 0.723 -2.999 129 2HG PRO 40 2HG PRO 40 -1.697 1.800 -3.908 130 1HD PRO 40 1HD PRO 40 -0.596 2.477 -1.482 131 2HD PRO 40 2HD PRO 40 -2.218 3.039 -1.983 132 H LYS 41 H LYS 41 -2.986 -2.423 -1.356 133 HA LYS 41 HA LYS 41 -1.351 -3.499 0.602 134 1HB LYS 41 1HB LYS 41 -3.238 -4.527 -0.807 135 2HB LYS 41 2HB LYS 41 -2.015 -4.902 -2.016 136 1HG LYS 41 1HG LYS 41 -0.826 -6.334 -0.403 137 2HG LYS 41 2HG LYS 41 -1.929 -5.823 0.894 138 1HD LYS 41 1HD LYS 41 -3.831 -6.879 -0.297 139 2HD LYS 41 2HD LYS 41 -2.766 -7.298 -1.642 140 1HE LYS 41 1HE LYS 41 -3.064 -9.276 -0.344 141 2HE LYS 41 2HE LYS 41 -1.402 -8.728 -0.117 142 1HZ LYS 41 1HZ LYS 41 -3.629 -8.263 1.804 143 2HZ LYS 41 2HZ LYS 41 -2.458 -9.380 1.983 144 3HZ LYS 41 3HZ LYS 41 -2.076 -7.797 2.037 145 H VAL 42 H VAL 42 -0.152 -2.304 -2.362 146 HA VAL 42 HA VAL 42 2.347 -3.599 -2.693 147 HB VAL 42 HB VAL 42 1.666 -0.646 -3.021 148 1HG1 VAL 42 1HG1 VAL 42 3.854 -2.334 -4.300 149 2HG1 VAL 42 2HG1 VAL 42 3.438 -0.671 -4.769 150 3HG1 VAL 42 3HG1 VAL 42 4.088 -0.985 -3.163 151 1HG2 VAL 42 2HG2 VAL 42 1.447 -2.947 -5.011 152 2HG2 VAL 42 3HG2 VAL 42 0.094 -2.008 -4.338 153 3HG2 VAL 42 1HG2 VAL 42 1.252 -1.227 -5.407 154 H CYS 43 H CYS 43 1.311 -1.278 -0.241 155 HA CYS 43 HA CYS 43 3.831 -1.547 1.275 156 1HB CYS 43 1HB CYS 43 4.006 0.321 -0.439 157 2HB CYS 43 2HB CYS 43 2.696 1.148 0.413 158 H PHE 44 H PHE 44 3.271 0.481 3.025 159 HA PHE 44 HA PHE 44 0.517 0.249 4.113 160 1HB PHE 44 1HB PHE 44 1.248 -0.185 6.335 161 2HB PHE 44 2HB PHE 44 1.977 -1.405 5.311 162 HD1 PHE 44 HD1 PHE 44 2.574 1.273 7.687 163 HD2 PHE 44 HD2 PHE 44 4.467 -1.144 4.654 164 HE1 PHE 44 HE1 PHE 44 4.805 1.903 8.574 165 HE2 PHE 44 HE2 PHE 44 6.694 -0.498 5.536 166 HZ PHE 44 HZ PHE 44 6.869 1.023 7.494 167 H LYS 45 H LYS 45 3.256 2.175 3.353 168 HA LYS 45 HA LYS 45 2.096 4.648 4.502 169 1HB LYS 45 1HB LYS 45 3.313 3.656 6.387 170 2HB LYS 45 2HB LYS 45 4.748 3.431 5.390 171 1HG LYS 45 1HG LYS 45 4.936 5.945 5.187 172 2HG LYS 45 2HG LYS 45 3.512 6.095 6.224 173 1HD LYS 45 1HD LYS 45 5.504 6.441 7.544 174 2HD LYS 45 2HD LYS 45 4.755 4.919 8.050 175 1HE LYS 45 1HE LYS 45 6.391 3.646 6.690 176 2HE LYS 45 2HE LYS 45 7.089 5.154 6.088 177 1HZ LYS 45 1HZ LYS 45 7.103 4.295 8.936 178 2HZ LYS 45 2HZ LYS 45 8.386 4.244 7.929 179 3HZ LYS 45 3HZ LYS 45 7.757 5.680 8.370 180 H CYS 46 H CYS 46 5.276 3.515 3.268 181 HA CYS 46 HA CYS 46 5.888 6.008 2.108 182 1HB CYS 46 1HB CYS 46 7.715 4.150 1.074 183 2HB CYS 46 2HB CYS 46 7.878 5.156 2.499 184 H LYS 47 H LYS 47 4.698 3.054 0.609 185 HA LYS 47 HA LYS 47 4.032 2.503 -1.512 186 1HB LYS 47 1HB LYS 47 2.031 3.757 -2.107 187 2HB LYS 47 2HB LYS 47 2.154 3.441 -0.382 188 1HG LYS 47 1HG LYS 47 2.921 5.750 0.019 189 2HG LYS 47 2HG LYS 47 2.831 6.107 -1.707 190 1HD LYS 47 1HD LYS 47 0.457 5.894 -1.717 191 2HD LYS 47 2HD LYS 47 0.417 5.138 -0.116 192 1HE LYS 47 1HE LYS 47 1.465 7.963 -0.574 193 2HE LYS 47 2HE LYS 47 -0.237 7.625 -0.239 194 1HZ LYS 47 3HZ LYS 47 1.981 6.848 1.590 195 2HZ LYS 47 1HZ LYS 47 0.986 8.135 1.803 196 3HZ LYS 47 2HZ LYS 47 0.393 6.606 1.850 197 H GLN 48 H GLN 48 6.565 4.086 -1.833 198 HA GLN 48 HA GLN 48 6.306 5.547 -4.294 199 1HB GLN 48 1HB GLN 48 8.759 4.210 -3.086 200 2HB GLN 48 2HB GLN 48 8.784 5.382 -4.396 201 1HG GLN 48 1HG GLN 48 7.956 5.880 -1.511 202 2HG GLN 48 2HG GLN 48 9.388 6.474 -2.326 203 1HE2 GLN 48 2HE2 GLN 48 6.123 7.209 -1.556 204 2HE2 GLN 48 1HE2 GLN 48 5.988 8.634 -2.595 205 HA PRO 49 HA PRO 49 5.657 2.749 -7.438 206 1HB PRO 49 2HB PRO 49 8.134 3.733 -8.871 207 2HB PRO 49 1HB PRO 49 6.489 3.461 -9.530 208 1HG PRO 49 1HG PRO 49 7.256 5.954 -8.849 209 2HG PRO 49 2HG PRO 49 5.630 5.367 -8.369 210 1HD PRO 49 1HD PRO 49 8.131 5.569 -6.692 211 2HD PRO 49 2HD PRO 49 6.439 5.973 -6.282 212 H GLY 50 H GLY 50 8.964 2.307 -6.266 213 1HA GLY 50 2HA GLY 50 10.137 0.312 -7.550 214 2HA GLY 50 1HA GLY 50 8.771 -0.604 -6.915 215 H HIS 51 H HIS 51 9.463 1.598 -4.515 216 HA HIS 51 HA HIS 51 11.870 0.668 -3.361 217 1HB HIS 51 1HB HIS 51 11.287 1.951 -1.496 218 2HB HIS 51 2HB HIS 51 10.526 2.790 -2.833 219 HD1 HIS 51 HD1 HIS 51 7.651 1.783 -3.037 220 HD2 HIS 51 HD2 HIS 51 9.838 1.553 0.563 221 HE1 HIS 51 HE1 HIS 51 5.981 1.248 -1.209 222 H PHE 52 H PHE 52 8.642 -0.695 -3.142 223 HA PHE 52 HA PHE 52 8.778 -1.945 -0.656 224 1HB PHE 52 1HB PHE 52 6.871 -3.305 -1.458 225 2HB PHE 52 2HB PHE 52 6.694 -1.584 -1.731 226 HD1 PHE 52 HD1 PHE 52 6.706 -0.625 -4.014 227 HD2 PHE 52 HD2 PHE 52 7.086 -4.876 -3.357 228 HE1 PHE 52 HE1 PHE 52 6.224 -1.046 -6.406 229 HE2 PHE 52 HE2 PHE 52 6.607 -5.284 -5.755 230 HZ PHE 52 HZ PHE 52 6.180 -3.369 -7.286 231 H SER 53 H SER 53 9.722 -3.357 -3.819 232 HA SER 53 HA SER 53 10.374 -5.952 -2.983 233 1HB SER 53 1HB SER 53 11.767 -4.263 -5.097 234 2HB SER 53 2HB SER 53 11.797 -6.035 -4.980 235 HG SER 53 HG SER 53 10.217 -5.290 -6.474 236 H LYS 54 H LYS 54 11.964 -3.123 -1.952 237 HA LYS 54 HA LYS 54 14.372 -4.630 -1.005 238 1HB LYS 54 1HB LYS 54 14.240 -1.726 -1.925 239 2HB LYS 54 2HB LYS 54 15.680 -2.574 -1.376 240 1HG LYS 54 1HG LYS 54 14.125 -3.209 -3.921 241 2HG LYS 54 2HG LYS 54 15.612 -2.275 -3.819 242 1HD LYS 54 1HD LYS 54 16.860 -4.217 -3.004 243 2HD LYS 54 2HD LYS 54 15.383 -5.199 -2.980 244 1HE LYS 54 1HE LYS 54 15.107 -4.830 -5.430 245 2HE LYS 54 2HE LYS 54 16.615 -3.907 -5.451 246 1HZ LYS 54 3HZ LYS 54 16.382 -6.770 -4.678 247 2HZ LYS 54 1HZ LYS 54 16.976 -6.223 -6.096 248 3HZ LYS 54 2HZ LYS 54 17.778 -5.919 -4.708 249 H GLN 55 H GLN 55 11.606 -3.464 0.187 250 HA GLN 55 HA GLN 55 12.810 -2.947 2.821 251 1HB GLN 55 1HB GLN 55 12.764 -0.703 1.667 252 2HB GLN 55 2HB GLN 55 11.009 -0.832 1.560 253 1HG GLN 55 1HG GLN 55 10.971 -1.046 4.107 254 2HG GLN 55 2HG GLN 55 12.709 -0.736 4.096 255 1HE2 GLN 55 1HE2 GLN 55 9.505 0.639 3.499 256 2HE2 GLN 55 2HE2 GLN 55 10.023 2.317 3.500 257 H CYS 56 H CYS 56 9.618 -2.553 1.192 258 HA CYS 56 HA CYS 56 8.259 -3.488 3.608 259 1HB CYS 56 1HB CYS 56 7.184 -2.278 1.027 260 2HB CYS 56 2HB CYS 56 6.289 -2.516 2.531 261 H ARG 57 H ARG 57 9.272 -5.026 0.818 262 HA ARG 57 HA ARG 57 7.558 -7.392 1.234 263 1HB ARG 57 1HB ARG 57 6.690 -5.546 -0.543 264 2HB ARG 57 2HB ARG 57 7.877 -6.299 -1.581 265 1HG ARG 57 1HG ARG 57 5.585 -7.170 -1.898 266 2HG ARG 57 2HG ARG 57 6.695 -8.450 -1.428 267 1HD ARG 57 1HD ARG 57 4.440 -8.552 -0.307 268 2HD ARG 57 2HD ARG 57 5.801 -8.554 0.794 269 HE ARG 57 HE ARG 57 5.306 -6.355 1.514 270 1HH1 ARG 57 2HH1 ARG 57 2.964 -7.256 -0.965 271 2HH1 ARG 57 1HH1 ARG 57 1.944 -5.885 -0.543 272 1HH2 ARG 57 1HH2 ARG 57 3.907 -4.707 1.943 273 2HH2 ARG 57 2HH2 ARG 57 2.441 -4.544 0.983 274 H SER 58 H SER 58 10.482 -6.615 1.442 275 HA SER 58 HA SER 58 12.194 -7.735 -0.422 276 1HB SER 58 1HB SER 58 12.484 -7.862 2.598 277 2HB SER 58 2HB SER 58 13.789 -7.983 1.402 278 HG SER 58 HG SER 58 13.548 -5.837 2.250 No H/Q in entry = 278 Start of MODEL 26 1 H1 GLN 22 H3 GLN 22 -8.378 -0.643 -6.186 2 H2 GLN 22 H2 GLN 22 -7.361 0.573 -5.789 3 H3 GLN 22 H1 GLN 22 -7.388 -0.001 -7.333 4 HA GLN 22 HA GLN 22 -6.575 -2.150 -6.595 5 1HB GLN 22 1HB GLN 22 -4.966 -0.373 -7.337 6 2HB GLN 22 2HB GLN 22 -4.778 0.127 -5.651 7 1HG GLN 22 1HG GLN 22 -3.882 -2.139 -5.090 8 2HG GLN 22 2HG GLN 22 -4.167 -2.654 -6.755 9 1HE2 GLN 22 1HE2 GLN 22 -1.971 -3.079 -7.304 10 2HE2 GLN 22 2HE2 GLN 22 -0.772 -1.793 -7.340 11 H THR 23 H THR 23 -6.546 -3.615 -4.950 12 HA THR 23 HA THR 23 -7.923 -3.265 -2.633 13 HB THR 23 HB THR 23 -5.638 -5.238 -2.936 14 HG1 THR 23 HG1 THR 23 -7.152 -6.487 -4.038 15 1HG2 THR 23 3HG2 THR 23 -8.362 -5.460 -1.571 16 2HG2 THR 23 1HG2 THR 23 -7.172 -6.766 -1.726 17 3HG2 THR 23 2HG2 THR 23 -6.791 -5.357 -0.735 18 H CYS 24 H CYS 24 -7.655 -2.735 -0.565 19 HA CYS 24 HA CYS 24 -5.682 -0.999 0.357 20 1HB CYS 24 1HB CYS 24 -8.051 -1.482 1.193 21 2HB CYS 24 2HB CYS 24 -7.380 -2.879 2.034 22 H TYR 25 H TYR 25 -4.020 -1.163 1.901 23 HA TYR 25 HA TYR 25 -2.471 -3.612 2.143 24 1HB TYR 25 1HB TYR 25 -0.961 -2.400 3.338 25 2HB TYR 25 2HB TYR 25 -1.623 -1.167 2.286 26 HD1 TYR 25 HD1 TYR 25 -0.486 -1.743 5.494 27 HD2 TYR 25 HD2 TYR 25 -3.896 0.010 3.511 28 HE1 TYR 25 HE1 TYR 25 -0.958 -0.366 7.510 29 HE2 TYR 25 HE2 TYR 25 -4.394 1.321 5.547 30 HH TYR 25 HH TYR 25 -2.362 1.167 8.483 31 H ASN 26 H ASN 26 -5.269 -2.489 3.755 32 HA ASN 26 HA ASN 26 -4.860 -4.330 6.098 33 1HB ASN 26 1HB ASN 26 -4.340 -2.045 6.731 34 2HB ASN 26 2HB ASN 26 -5.799 -1.429 5.962 35 1HD2 ASN 26 2HD2 ASN 26 -7.829 -1.610 7.060 36 2HD2 ASN 26 1HD2 ASN 26 -7.878 -2.135 8.737 37 H CYS 27 H CYS 27 -7.339 -2.481 4.262 38 HA CYS 27 HA CYS 27 -9.498 -3.720 5.659 39 1HB CYS 27 1HB CYS 27 -9.510 -1.945 3.187 40 2HB CYS 27 2HB CYS 27 -10.861 -2.234 4.288 41 H GLY 28 H GLY 28 -7.790 -4.952 2.998 42 1HA GLY 28 2HA GLY 28 -9.411 -7.209 2.576 43 2HA GLY 28 1HA GLY 28 -8.160 -6.629 1.471 44 H LYS 29 H LYS 29 -9.501 -4.112 0.871 45 HA LYS 29 HA LYS 29 -11.994 -4.950 -0.555 46 1HB LYS 29 1HB LYS 29 -12.309 -3.644 1.528 47 2HB LYS 29 2HB LYS 29 -11.337 -2.356 0.867 48 1HG LYS 29 1HG LYS 29 -13.635 -1.733 0.643 49 2HG LYS 29 2HG LYS 29 -13.009 -2.034 -0.971 50 1HD LYS 29 1HD LYS 29 -15.264 -2.924 -0.738 51 2HD LYS 29 2HD LYS 29 -14.136 -4.255 -0.999 52 1HE LYS 29 1HE LYS 29 -14.132 -4.742 1.439 53 2HE LYS 29 2HE LYS 29 -15.203 -3.364 1.722 54 1HZ LYS 29 3HZ LYS 29 -15.907 -5.764 0.113 55 2HZ LYS 29 1HZ LYS 29 -16.443 -5.447 1.620 56 3HZ LYS 29 2HZ LYS 29 -16.898 -4.490 0.381 57 HA PRO 30 HA PRO 30 -9.452 -3.861 -4.139 58 1HB PRO 30 2HB PRO 30 -12.188 -3.925 -5.420 59 2HB PRO 30 1HB PRO 30 -10.632 -4.555 -6.050 60 1HG PRO 30 1HG PRO 30 -12.384 -6.243 -4.885 61 2HG PRO 30 2HG PRO 30 -10.641 -6.353 -4.469 62 1HD PRO 30 1HD PRO 30 -12.875 -5.060 -2.903 63 2HD PRO 30 2HD PRO 30 -11.514 -6.073 -2.328 64 H GLY 31 H GLY 31 -12.358 -1.953 -3.386 65 1HA GLY 31 2HA GLY 31 -13.019 0.191 -3.884 66 2HA GLY 31 1HA GLY 31 -11.859 0.204 -5.211 67 H HIS 32 H HIS 32 -9.561 -0.287 -3.319 68 HA HIS 32 HA HIS 32 -9.457 2.266 -1.815 69 1HB HIS 32 1HB HIS 32 -8.031 -0.355 -1.609 70 2HB HIS 32 2HB HIS 32 -7.171 1.092 -1.100 71 HD1 HIS 32 HD1 HIS 32 -10.575 -0.600 -0.353 72 HD2 HIS 32 HD2 HIS 32 -7.634 1.884 1.310 73 HE1 HIS 32 HE1 HIS 32 -11.288 -0.167 2.077 74 H LEU 33 H LEU 33 -7.440 3.386 -1.745 75 HA LEU 33 HA LEU 33 -5.957 3.830 -4.240 76 1HB LEU 33 1HB LEU 33 -7.966 5.807 -3.030 77 2HB LEU 33 2HB LEU 33 -6.755 6.265 -4.212 78 HG LEU 33 HG LEU 33 -9.029 4.316 -4.752 79 1HD1 LEU 33 2HD1 LEU 33 -9.805 6.616 -4.388 80 2HD1 LEU 33 3HD1 LEU 33 -8.628 7.217 -5.577 81 3HD1 LEU 33 1HD1 LEU 33 -9.958 6.151 -6.089 82 1HD2 LEU 33 2HD2 LEU 33 -6.979 5.605 -6.619 83 2HD2 LEU 33 3HD2 LEU 33 -7.067 3.879 -6.206 84 3HD2 LEU 33 1HD2 LEU 33 -8.374 4.628 -7.125 85 H SER 34 H SER 34 -4.484 5.734 -3.876 86 HA SER 34 HA SER 34 -2.905 5.689 -1.541 87 1HB SER 34 1HB SER 34 -2.315 6.530 -3.832 88 2HB SER 34 2HB SER 34 -3.280 7.981 -3.505 89 HG SER 34 HG SER 34 -1.071 8.302 -3.063 90 H SER 35 H SER 35 -5.970 7.234 -1.920 91 HA SER 35 HA SER 35 -5.635 8.855 0.565 92 1HB SER 35 1HB SER 35 -7.451 10.252 -0.384 93 2HB SER 35 2HB SER 35 -6.006 10.206 -1.412 94 HG SER 35 HG SER 35 -7.961 9.895 -2.609 95 H GLN 36 H GLN 36 -7.250 6.054 -0.603 96 HA GLN 36 HA GLN 36 -9.667 6.317 1.043 97 1HB GLN 36 1HB GLN 36 -9.363 4.917 -1.124 98 2HB GLN 36 2HB GLN 36 -8.495 3.770 -0.109 99 1HG GLN 36 1HG GLN 36 -10.677 2.908 -0.122 100 2HG GLN 36 2HG GLN 36 -10.666 3.801 1.385 101 1HE2 GLN 36 2HE2 GLN 36 -12.013 3.593 -1.889 102 2HE2 GLN 36 1HE2 GLN 36 -13.150 4.918 -1.669 103 H CYS 37 H CYS 37 -6.505 4.795 1.270 104 HA CYS 37 HA CYS 37 -6.522 4.926 4.189 105 1HB CYS 37 1HB CYS 37 -6.046 2.370 2.608 106 2HB CYS 37 2HB CYS 37 -5.172 2.656 4.091 107 H ARG 38 H ARG 38 -4.082 4.362 4.855 108 HA ARG 38 HA ARG 38 -2.371 6.355 3.819 109 1HB ARG 38 1HB ARG 38 -1.671 3.783 5.309 110 2HB ARG 38 2HB ARG 38 -0.533 5.064 4.925 111 1HG ARG 38 1HG ARG 38 -0.973 5.680 7.014 112 2HG ARG 38 2HG ARG 38 -2.216 6.638 6.229 113 1HD ARG 38 1HD ARG 38 -2.756 3.853 7.340 114 2HD ARG 38 2HD ARG 38 -2.732 5.262 8.393 115 HE ARG 38 HE ARG 38 -4.519 6.245 6.873 116 1HH1 ARG 38 1HH2 ARG 38 -4.389 2.772 7.519 117 2HH1 ARG 38 2HH2 ARG 38 -6.104 2.612 7.238 118 1HH2 ARG 38 1HH1 ARG 38 -6.701 5.916 6.642 119 2HH2 ARG 38 2HH1 ARG 38 -7.331 4.296 6.684 120 H ALA 39 H ALA 39 -2.575 2.945 2.805 121 HA ALA 39 HA ALA 39 -1.475 3.651 0.205 122 1HB ALA 39 1HB ALA 39 -0.033 1.639 1.998 123 2HB ALA 39 2HB ALA 39 0.369 1.973 0.307 124 3HB ALA 39 3HB ALA 39 0.601 3.235 1.531 125 HA PRO 40 HA PRO 40 -3.759 -0.231 -0.809 126 1HB PRO 40 2HB PRO 40 -2.748 -0.807 -3.262 127 2HB PRO 40 1HB PRO 40 -3.845 0.578 -2.995 128 1HG PRO 40 1HG PRO 40 -0.813 0.606 -3.137 129 2HG PRO 40 2HG PRO 40 -1.969 1.667 -4.002 130 1HD PRO 40 1HD PRO 40 -0.735 2.398 -1.667 131 2HD PRO 40 2HD PRO 40 -2.391 2.935 -2.076 132 H LYS 41 H LYS 41 -3.060 -2.497 -1.508 133 HA LYS 41 HA LYS 41 -1.356 -3.693 0.321 134 1HB LYS 41 1HB LYS 41 -3.266 -4.667 -1.030 135 2HB LYS 41 2HB LYS 41 -2.175 -4.797 -2.399 136 1HG LYS 41 1HG LYS 41 -2.506 -6.929 -1.272 137 2HG LYS 41 2HG LYS 41 -0.813 -6.449 -1.185 138 1HD LYS 41 1HD LYS 41 -1.060 -5.803 1.171 139 2HD LYS 41 2HD LYS 41 -2.817 -5.970 1.065 140 1HE LYS 41 1HE LYS 41 -1.971 -7.883 2.228 141 2HE LYS 41 2HE LYS 41 -2.581 -8.402 0.655 142 1HZ LYS 41 2HZ LYS 41 0.288 -7.967 1.317 143 2HZ LYS 41 3HZ LYS 41 -0.437 -9.419 1.167 144 3HZ LYS 41 1HZ LYS 41 -0.272 -8.464 -0.142 145 H VAL 42 H VAL 42 -0.239 -2.128 -2.461 146 HA VAL 42 HA VAL 42 2.281 -3.369 -2.977 147 HB VAL 42 HB VAL 42 1.476 -0.429 -3.070 148 1HG1 VAL 42 3HG1 VAL 42 3.760 -1.890 -4.453 149 2HG1 VAL 42 1HG1 VAL 42 3.255 -0.220 -4.796 150 3HG1 VAL 42 2HG1 VAL 42 3.909 -0.625 -3.212 151 1HG2 VAL 42 3HG2 VAL 42 1.404 -2.569 -5.243 152 2HG2 VAL 42 1HG2 VAL 42 -0.008 -1.786 -4.500 153 3HG2 VAL 42 2HG2 VAL 42 1.095 -0.836 -5.490 154 H CYS 43 H CYS 43 1.253 -1.171 -0.362 155 HA CYS 43 HA CYS 43 3.875 -1.407 1.010 156 1HB CYS 43 1HB CYS 43 3.920 0.453 -0.708 157 2HB CYS 43 2HB CYS 43 2.641 1.264 0.202 158 H PHE 44 H PHE 44 3.272 0.773 2.709 159 HA PHE 44 HA PHE 44 0.646 0.329 3.989 160 1HB PHE 44 1HB PHE 44 1.449 -0.065 6.151 161 2HB PHE 44 2HB PHE 44 2.378 -1.157 5.143 162 HD1 PHE 44 HD1 PHE 44 2.479 1.565 7.531 163 HD2 PHE 44 HD2 PHE 44 4.809 -0.458 4.513 164 HE1 PHE 44 HE1 PHE 44 4.551 2.579 8.447 165 HE2 PHE 44 HE2 PHE 44 6.874 0.568 5.431 166 HZ PHE 44 HZ PHE 44 6.751 2.089 7.393 167 H LYS 45 H LYS 45 3.353 2.412 3.250 168 HA LYS 45 HA LYS 45 1.836 4.820 3.984 169 1HB LYS 45 1HB LYS 45 2.853 4.163 6.140 170 2HB LYS 45 2HB LYS 45 4.439 4.063 5.390 171 1HG LYS 45 1HG LYS 45 4.260 6.076 6.698 172 2HG LYS 45 2HG LYS 45 4.429 6.507 4.999 173 1HD LYS 45 1HD LYS 45 1.996 6.978 4.859 174 2HD LYS 45 2HD LYS 45 1.793 6.450 6.547 175 1HE LYS 45 1HE LYS 45 3.371 8.240 7.274 176 2HE LYS 45 2HE LYS 45 3.544 8.767 5.596 177 1HZ LYS 45 1HZ LYS 45 1.160 9.298 5.591 178 2HZ LYS 45 2HZ LYS 45 1.006 8.811 7.147 179 3HZ LYS 45 3HZ LYS 45 1.913 10.114 6.783 180 H CYS 46 H CYS 46 5.198 3.784 3.178 181 HA CYS 46 HA CYS 46 5.900 6.224 1.996 182 1HB CYS 46 1HB CYS 46 7.725 4.336 1.020 183 2HB CYS 46 2HB CYS 46 7.858 5.334 2.456 184 H LYS 47 H LYS 47 4.711 3.297 0.441 185 HA LYS 47 HA LYS 47 4.187 2.750 -1.720 186 1HB LYS 47 1HB LYS 47 2.201 3.958 -2.397 187 2HB LYS 47 2HB LYS 47 2.265 3.665 -0.667 188 1HG LYS 47 1HG LYS 47 3.089 6.062 -0.376 189 2HG LYS 47 2HG LYS 47 2.739 6.323 -2.088 190 1HD LYS 47 1HD LYS 47 0.378 5.918 -1.712 191 2HD LYS 47 2HD LYS 47 0.693 5.283 -0.082 192 1HE LYS 47 1HE LYS 47 1.597 7.491 0.611 193 2HE LYS 47 2HE LYS 47 1.187 8.153 -0.981 194 1HZ LYS 47 3HZ LYS 47 -0.775 6.978 0.914 195 2HZ LYS 47 1HZ LYS 47 -0.547 8.590 0.700 196 3HZ LYS 47 2HZ LYS 47 -1.134 7.686 -0.530 197 H GLN 48 H GLN 48 6.733 4.208 -1.898 198 HA GLN 48 HA GLN 48 6.697 5.755 -4.316 199 1HB GLN 48 1HB GLN 48 8.998 4.249 -3.004 200 2HB GLN 48 2HB GLN 48 9.168 5.445 -4.280 201 1HG GLN 48 1HG GLN 48 8.173 5.940 -1.448 202 2HG GLN 48 2HG GLN 48 9.704 6.441 -2.137 203 1HE2 GLN 48 2HE2 GLN 48 6.440 7.395 -1.615 204 2HE2 GLN 48 1HE2 GLN 48 6.494 8.844 -2.623 205 HA PRO 49 HA PRO 49 6.065 3.120 -7.587 206 1HB PRO 49 2HB PRO 49 8.680 3.982 -8.843 207 2HB PRO 49 1HB PRO 49 7.062 3.843 -9.602 208 1HG PRO 49 1HG PRO 49 7.954 6.253 -8.784 209 2HG PRO 49 2HG PRO 49 6.266 5.764 -8.423 210 1HD PRO 49 1HD PRO 49 8.667 5.742 -6.597 211 2HD PRO 49 2HD PRO 49 6.983 6.239 -6.269 212 H GLY 50 H GLY 50 9.274 2.414 -6.268 213 1HA GLY 50 2HA GLY 50 10.303 0.360 -7.668 214 2HA GLY 50 1HA GLY 50 8.912 -0.454 -6.952 215 H HIS 51 H HIS 51 9.438 1.410 -4.469 216 HA HIS 51 HA HIS 51 11.959 0.467 -3.375 217 1HB HIS 51 1HB HIS 51 11.435 1.790 -1.520 218 2HB HIS 51 2HB HIS 51 10.741 2.669 -2.870 219 HD1 HIS 51 HD1 HIS 51 7.812 1.914 -3.099 220 HD2 HIS 51 HD2 HIS 51 9.938 1.479 0.521 221 HE1 HIS 51 HE1 HIS 51 6.086 1.509 -1.290 222 H PHE 52 H PHE 52 8.667 -0.699 -3.242 223 HA PHE 52 HA PHE 52 8.568 -1.757 -0.681 224 1HB PHE 52 1HB PHE 52 6.628 -3.134 -1.677 225 2HB PHE 52 2HB PHE 52 6.547 -1.387 -1.693 226 HD1 PHE 52 HD1 PHE 52 7.051 -4.394 -3.842 227 HD2 PHE 52 HD2 PHE 52 6.497 -0.114 -3.743 228 HE1 PHE 52 HE1 PHE 52 6.703 -4.374 -6.297 229 HE2 PHE 52 HE2 PHE 52 6.134 -0.105 -6.190 230 HZ PHE 52 HZ PHE 52 6.247 -2.229 -7.478 231 H SER 53 H SER 53 9.486 -3.574 -3.638 232 HA SER 53 HA SER 53 9.764 -6.117 -2.445 233 1HB SER 53 1HB SER 53 11.338 -4.975 -4.783 234 2HB SER 53 2HB SER 53 11.070 -6.692 -4.423 235 HG SER 53 HG SER 53 9.599 -5.922 -5.997 236 H LYS 54 H LYS 54 11.624 -3.457 -1.651 237 HA LYS 54 HA LYS 54 13.947 -5.081 -0.672 238 1HB LYS 54 1HB LYS 54 13.878 -2.318 -1.945 239 2HB LYS 54 2HB LYS 54 15.293 -2.958 -1.127 240 1HG LYS 54 1HG LYS 54 15.787 -4.522 -2.737 241 2HG LYS 54 2HG LYS 54 14.138 -4.663 -3.332 242 1HD LYS 54 1HD LYS 54 15.844 -2.181 -3.765 243 2HD LYS 54 2HD LYS 54 15.715 -3.529 -4.913 244 1HE LYS 54 1HE LYS 54 13.242 -3.231 -4.994 245 2HE LYS 54 2HE LYS 54 13.369 -1.856 -3.897 246 1HZ LYS 54 1HZ LYS 54 14.723 -0.729 -5.596 247 2HZ LYS 54 2HZ LYS 54 14.541 -1.994 -6.620 248 3HZ LYS 54 3HZ LYS 54 13.233 -1.119 -6.154 249 H GLN 55 H GLN 55 11.286 -3.626 0.470 250 HA GLN 55 HA GLN 55 12.535 -3.122 3.078 251 1HB GLN 55 1HB GLN 55 12.708 -0.915 1.922 252 2HB GLN 55 2HB GLN 55 10.959 -0.900 1.700 253 1HG GLN 55 1HG GLN 55 10.703 -0.994 4.220 254 2HG GLN 55 2HG GLN 55 12.461 -0.909 4.362 255 1HE2 GLN 55 1HE2 GLN 55 9.522 0.872 3.501 256 2HE2 GLN 55 2HE2 GLN 55 10.277 2.460 3.514 257 H CYS 56 H CYS 56 9.382 -2.366 1.513 258 HA CYS 56 HA CYS 56 7.992 -3.071 3.944 259 1HB CYS 56 1HB CYS 56 6.988 -2.048 1.251 260 2HB CYS 56 2HB CYS 56 6.083 -2.057 2.773 261 H ARG 57 H ARG 57 8.555 -4.752 0.982 262 HA ARG 57 HA ARG 57 6.563 -6.882 1.615 263 1HB ARG 57 1HB ARG 57 6.079 -4.859 -0.241 264 2HB ARG 57 2HB ARG 57 6.844 -6.059 -1.255 265 1HG ARG 57 1HG ARG 57 4.756 -6.913 -1.456 266 2HG ARG 57 2HG ARG 57 5.029 -7.639 0.123 267 1HD ARG 57 1HD ARG 57 3.581 -5.051 -0.546 268 2HD ARG 57 2HD ARG 57 2.881 -6.525 0.133 269 HE ARG 57 HE ARG 57 4.883 -5.553 1.933 270 1HH1 ARG 57 2HH1 ARG 57 1.747 -4.479 0.815 271 2HH1 ARG 57 1HH1 ARG 57 1.577 -3.370 2.153 272 1HH2 ARG 57 2HH2 ARG 57 4.545 -4.280 3.624 273 2HH2 ARG 57 1HH2 ARG 57 3.017 -3.436 3.836 274 H SER 58 H SER 58 9.621 -6.536 1.545 275 HA SER 58 HA SER 58 10.980 -7.993 -0.349 276 1HB SER 58 1HB SER 58 11.477 -8.098 2.644 277 2HB SER 58 2HB SER 58 12.656 -8.399 1.354 278 HG SER 58 HG SER 58 12.753 -6.233 2.197 No H/Q in entry = 278 Start of MODEL 27 1 H1 GLN 22 H1 GLN 22 -7.814 -0.923 -6.308 2 H2 GLN 22 H3 GLN 22 -6.894 0.357 -5.883 3 H3 GLN 22 H2 GLN 22 -6.733 -0.306 -7.382 4 HA GLN 22 HA GLN 22 -5.897 -2.365 -6.432 5 1HB GLN 22 1HB GLN 22 -4.434 0.169 -5.576 6 2HB GLN 22 2HB GLN 22 -3.758 -1.440 -5.361 7 1HG GLN 22 1HG GLN 22 -4.535 -0.287 -8.081 8 2HG GLN 22 2HG GLN 22 -2.929 -0.231 -7.371 9 1HE2 GLN 22 1HE2 GLN 22 -2.116 -1.467 -9.234 10 2HE2 GLN 22 2HE2 GLN 22 -2.400 -3.204 -9.279 11 H THR 23 H THR 23 -6.140 -3.760 -4.782 12 HA THR 23 HA THR 23 -7.773 -3.299 -2.642 13 HB THR 23 HB THR 23 -5.527 -5.341 -2.649 14 HG1 THR 23 HG1 THR 23 -6.976 -6.592 -3.833 15 1HG2 THR 23 3HG2 THR 23 -8.366 -5.435 -1.523 16 2HG2 THR 23 1HG2 THR 23 -7.201 -6.775 -1.515 17 3HG2 THR 23 2HG2 THR 23 -6.873 -5.330 -0.555 18 H CYS 24 H CYS 24 -7.712 -2.630 -0.600 19 HA CYS 24 HA CYS 24 -5.827 -0.885 0.424 20 1HB CYS 24 1HB CYS 24 -8.245 -1.326 1.104 21 2HB CYS 24 2HB CYS 24 -7.656 -2.701 2.033 22 H TYR 25 H TYR 25 -4.223 -0.953 2.032 23 HA TYR 25 HA TYR 25 -2.705 -3.359 2.466 24 1HB TYR 25 1HB TYR 25 -1.263 -2.132 3.688 25 2HB TYR 25 2HB TYR 25 -1.904 -0.904 2.626 26 HD1 TYR 25 HD1 TYR 25 -0.807 -1.439 5.818 27 HD2 TYR 25 HD2 TYR 25 -4.269 0.198 3.824 28 HE1 TYR 25 HE1 TYR 25 -1.374 -0.137 7.861 29 HE2 TYR 25 HE2 TYR 25 -4.866 1.438 5.892 30 HH TYR 25 HH TYR 25 -4.339 1.852 8.092 31 H ASN 26 H ASN 26 -5.585 -2.225 3.931 32 HA ASN 26 HA ASN 26 -5.337 -4.126 6.248 33 1HB ASN 26 1HB ASN 26 -4.877 -1.862 6.978 34 2HB ASN 26 2HB ASN 26 -6.268 -1.224 6.106 35 1HD2 ASN 26 2HD2 ASN 26 -8.374 -1.401 7.036 36 2HD2 ASN 26 1HD2 ASN 26 -8.567 -1.969 8.688 37 H CYS 27 H CYS 27 -7.703 -2.249 4.279 38 HA CYS 27 HA CYS 27 -9.942 -3.477 5.534 39 1HB CYS 27 1HB CYS 27 -9.808 -1.753 3.029 40 2HB CYS 27 2HB CYS 27 -11.222 -2.026 4.050 41 H GLY 28 H GLY 28 -8.081 -4.749 2.988 42 1HA GLY 28 2HA GLY 28 -9.695 -7.015 2.534 43 2HA GLY 28 1HA GLY 28 -8.364 -6.482 1.503 44 H LYS 29 H LYS 29 -9.691 -3.946 0.791 45 HA LYS 29 HA LYS 29 -12.038 -4.840 -0.837 46 1HB LYS 29 1HB LYS 29 -12.572 -3.462 1.124 47 2HB LYS 29 2HB LYS 29 -11.481 -2.213 0.564 48 1HG LYS 29 1HG LYS 29 -13.690 -1.508 0.052 49 2HG LYS 29 2HG LYS 29 -12.946 -1.930 -1.490 50 1HD LYS 29 1HD LYS 29 -14.142 -4.114 -1.470 51 2HD LYS 29 2HD LYS 29 -14.817 -3.729 0.127 52 1HE LYS 29 1HE LYS 29 -15.933 -1.723 -0.847 53 2HE LYS 29 2HE LYS 29 -15.294 -2.145 -2.440 54 1HZ LYS 29 1HZ LYS 29 -16.565 -4.230 -2.317 55 2HZ LYS 29 2HZ LYS 29 -17.153 -3.833 -0.846 56 3HZ LYS 29 3HZ LYS 29 -17.566 -2.953 -2.153 57 HA PRO 30 HA PRO 30 -9.203 -3.927 -4.235 58 1HB PRO 30 2HB PRO 30 -11.822 -3.932 -5.743 59 2HB PRO 30 1HB PRO 30 -10.247 -4.645 -6.217 60 1HG PRO 30 1HG PRO 30 -12.165 -6.218 -5.156 61 2HG PRO 30 2HG PRO 30 -10.469 -6.387 -4.591 62 1HD PRO 30 1HD PRO 30 -12.765 -4.955 -3.257 63 2HD PRO 30 2HD PRO 30 -11.504 -6.003 -2.543 64 H GLY 31 H GLY 31 -12.100 -1.909 -3.801 65 1HA GLY 31 2HA GLY 31 -12.658 0.227 -4.437 66 2HA GLY 31 1HA GLY 31 -11.379 0.165 -5.647 67 H HIS 32 H HIS 32 -9.247 -0.276 -3.627 68 HA HIS 32 HA HIS 32 -9.200 2.334 -2.196 69 1HB HIS 32 1HB HIS 32 -7.936 -0.339 -1.703 70 2HB HIS 32 2HB HIS 32 -7.091 1.098 -1.146 71 HD1 HIS 32 HD1 HIS 32 -10.607 -0.476 -0.731 72 HD2 HIS 32 HD2 HIS 32 -7.785 1.973 1.171 73 HE1 HIS 32 HE1 HIS 32 -11.544 0.018 1.608 74 H LEU 33 H LEU 33 -7.101 3.300 -1.942 75 HA LEU 33 HA LEU 33 -5.247 3.413 -4.203 76 1HB LEU 33 1HB LEU 33 -7.179 5.673 -3.451 77 2HB LEU 33 2HB LEU 33 -5.742 5.920 -4.428 78 HG LEU 33 HG LEU 33 -8.113 4.201 -5.255 79 1HD1 LEU 33 2HD1 LEU 33 -8.643 6.597 -5.154 80 2HD1 LEU 33 3HD1 LEU 33 -7.220 6.967 -6.153 81 3HD1 LEU 33 1HD1 LEU 33 -8.569 6.025 -6.828 82 1HD2 LEU 33 3HD2 LEU 33 -5.633 5.105 -6.798 83 2HD2 LEU 33 1HD2 LEU 33 -6.009 3.433 -6.319 84 3HD2 LEU 33 2HD2 LEU 33 -7.035 4.263 -7.493 85 H SER 34 H SER 34 -3.584 5.105 -3.692 86 HA SER 34 HA SER 34 -2.507 5.132 -1.093 87 1HB SER 34 1HB SER 34 -2.151 7.060 -3.420 88 2HB SER 34 2HB SER 34 -1.082 6.970 -2.010 89 HG SER 34 HG SER 34 -0.353 5.697 -3.822 90 H SER 35 H SER 35 -5.293 6.806 -1.981 91 HA SER 35 HA SER 35 -5.071 8.701 0.319 92 1HB SER 35 1HB SER 35 -6.588 10.172 -0.980 93 2HB SER 35 2HB SER 35 -5.038 9.893 -1.796 94 HG SER 35 HG SER 35 -6.848 9.661 -3.218 95 H GLN 36 H GLN 36 -6.792 5.969 -0.865 96 HA GLN 36 HA GLN 36 -9.357 6.553 0.443 97 1HB GLN 36 1HB GLN 36 -8.944 4.983 -1.575 98 2HB GLN 36 2HB GLN 36 -8.266 3.853 -0.408 99 1HG GLN 36 1HG GLN 36 -10.486 3.127 -0.603 100 2HG GLN 36 2HG GLN 36 -10.565 4.108 0.846 101 1HE2 GLN 36 2HE2 GLN 36 -11.652 3.741 -2.494 102 2HE2 GLN 36 1HE2 GLN 36 -12.686 5.164 -2.481 103 H CYS 37 H CYS 37 -6.393 4.790 1.128 104 HA CYS 37 HA CYS 37 -6.741 5.070 4.029 105 1HB CYS 37 1HB CYS 37 -6.240 2.437 2.588 106 2HB CYS 37 2HB CYS 37 -5.586 2.712 4.191 107 H ARG 38 H ARG 38 -4.430 4.265 4.954 108 HA ARG 38 HA ARG 38 -2.493 6.176 4.212 109 1HB ARG 38 1HB ARG 38 -2.166 3.518 5.673 110 2HB ARG 38 2HB ARG 38 -0.867 4.675 5.436 111 1HG ARG 38 1HG ARG 38 -1.613 5.000 7.605 112 2HG ARG 38 2HG ARG 38 -2.135 6.408 6.696 113 1HD ARG 38 1HD ARG 38 -4.003 4.067 7.208 114 2HD ARG 38 2HD ARG 38 -3.702 5.271 8.463 115 HE ARG 38 HE ARG 38 -4.375 6.913 6.455 116 1HH1 ARG 38 1HH1 ARG 38 -6.066 4.079 7.651 117 2HH1 ARG 38 2HH1 ARG 38 -7.596 4.627 7.029 118 1HH2 ARG 38 2HH2 ARG 38 -6.394 7.614 5.834 119 2HH2 ARG 38 1HH2 ARG 38 -7.782 6.604 6.108 120 H ALA 39 H ALA 39 -2.807 2.852 3.007 121 HA ALA 39 HA ALA 39 -1.507 3.594 0.530 122 1HB ALA 39 2HB ALA 39 0.490 3.057 1.935 123 2HB ALA 39 3HB ALA 39 -0.221 1.471 2.315 124 3HB ALA 39 1HB ALA 39 0.274 1.848 0.659 125 HA PRO 40 HA PRO 40 -3.755 -0.302 -0.657 126 1HB PRO 40 2HB PRO 40 -2.569 -0.896 -3.022 127 2HB PRO 40 1HB PRO 40 -3.702 0.480 -2.862 128 1HG PRO 40 1HG PRO 40 -0.667 0.551 -2.792 129 2HG PRO 40 2HG PRO 40 -1.775 1.585 -3.749 130 1HD PRO 40 1HD PRO 40 -0.710 2.357 -1.339 131 2HD PRO 40 2HD PRO 40 -2.331 2.877 -1.878 132 H LYS 41 H LYS 41 -3.020 -2.594 -1.067 133 HA LYS 41 HA LYS 41 -1.294 -3.475 0.937 134 1HB LYS 41 1HB LYS 41 -3.223 -4.674 -0.298 135 2HB LYS 41 2HB LYS 41 -2.052 -5.088 -1.534 136 1HG LYS 41 1HG LYS 41 -2.429 -6.946 -0.021 137 2HG LYS 41 2HG LYS 41 -0.760 -6.408 0.137 138 1HD LYS 41 1HD LYS 41 -1.299 -5.238 2.236 139 2HD LYS 41 2HD LYS 41 -3.027 -5.619 2.022 140 1HE LYS 41 1HE LYS 41 -2.506 -8.032 2.187 141 2HE LYS 41 2HE LYS 41 -0.791 -7.653 2.398 142 1HZ LYS 41 3HZ LYS 41 -2.955 -6.779 4.248 143 2HZ LYS 41 1HZ LYS 41 -1.913 -8.004 4.537 144 3HZ LYS 41 2HZ LYS 41 -1.368 -6.467 4.449 145 H VAL 42 H VAL 42 -0.241 -2.422 -2.098 146 HA VAL 42 HA VAL 42 2.284 -3.652 -2.471 147 HB VAL 42 HB VAL 42 1.524 -0.718 -2.812 148 1HG1 VAL 42 3HG1 VAL 42 3.706 -2.373 -4.140 149 2HG1 VAL 42 1HG1 VAL 42 3.247 -0.719 -4.606 150 3HG1 VAL 42 2HG1 VAL 42 3.948 -1.014 -3.017 151 1HG2 VAL 42 2HG2 VAL 42 1.298 -3.041 -4.776 152 2HG2 VAL 42 3HG2 VAL 42 -0.055 -2.126 -4.073 153 3HG2 VAL 42 1HG2 VAL 42 1.057 -1.328 -5.180 154 H CYS 43 H CYS 43 1.243 -1.301 -0.037 155 HA CYS 43 HA CYS 43 3.810 -1.471 1.420 156 1HB CYS 43 1HB CYS 43 3.888 0.347 -0.358 157 2HB CYS 43 2HB CYS 43 2.585 1.170 0.508 158 H PHE 44 H PHE 44 3.257 0.601 3.114 159 HA PHE 44 HA PHE 44 0.547 0.358 4.285 160 1HB PHE 44 1HB PHE 44 1.312 -0.020 6.494 161 2HB PHE 44 2HB PHE 44 2.075 -1.241 5.494 162 HD1 PHE 44 HD1 PHE 44 2.590 1.532 7.785 163 HD2 PHE 44 HD2 PHE 44 4.550 -0.914 4.821 164 HE1 PHE 44 HE1 PHE 44 4.802 2.287 8.622 165 HE2 PHE 44 HE2 PHE 44 6.758 -0.148 5.652 166 HZ PHE 44 HZ PHE 44 6.889 1.455 7.551 167 H LYS 45 H LYS 45 3.302 2.310 3.479 168 HA LYS 45 HA LYS 45 1.978 4.777 4.409 169 1HB LYS 45 1HB LYS 45 3.129 3.948 6.434 170 2HB LYS 45 2HB LYS 45 4.659 3.872 5.559 171 1HG LYS 45 1HG LYS 45 4.599 6.345 5.259 172 2HG LYS 45 2HG LYS 45 3.037 6.403 6.102 173 1HD LYS 45 1HD LYS 45 4.111 5.471 8.140 174 2HD LYS 45 2HD LYS 45 5.668 5.397 7.287 175 1HE LYS 45 1HE LYS 45 5.595 7.860 6.949 176 2HE LYS 45 2HE LYS 45 4.050 7.932 7.805 177 1HZ LYS 45 2HZ LYS 45 5.190 7.092 9.794 178 2HZ LYS 45 3HZ LYS 45 6.618 7.028 9.000 179 3HZ LYS 45 1HZ LYS 45 5.902 8.466 9.281 180 H CYS 46 H CYS 46 5.277 3.710 3.376 181 HA CYS 46 HA CYS 46 5.836 6.180 2.123 182 1HB CYS 46 1HB CYS 46 7.809 4.569 1.203 183 2HB CYS 46 2HB CYS 46 7.769 5.324 2.789 184 H LYS 47 H LYS 47 4.656 3.191 0.731 185 HA LYS 47 HA LYS 47 3.946 2.591 -1.358 186 1HB LYS 47 1HB LYS 47 1.871 3.695 -1.787 187 2HB LYS 47 2HB LYS 47 2.176 3.581 -0.064 188 1HG LYS 47 1HG LYS 47 3.072 6.055 -0.294 189 2HG LYS 47 2HG LYS 47 2.202 6.050 -1.830 190 1HD LYS 47 1HD LYS 47 0.104 5.532 -0.637 191 2HD LYS 47 2HD LYS 47 1.005 5.323 0.874 192 1HE LYS 47 1HE LYS 47 1.765 7.667 0.782 193 2HE LYS 47 2HE LYS 47 0.807 7.941 -0.681 194 1HZ LYS 47 2HZ LYS 47 -0.390 6.989 1.863 195 2HZ LYS 47 3HZ LYS 47 -0.281 8.591 1.493 196 3HZ LYS 47 1HZ LYS 47 -1.197 7.592 0.581 197 H GLN 48 H GLN 48 6.433 4.161 -1.857 198 HA GLN 48 HA GLN 48 6.038 5.577 -4.328 199 1HB GLN 48 1HB GLN 48 8.548 4.245 -3.238 200 2HB GLN 48 2HB GLN 48 8.506 5.391 -4.570 201 1HG GLN 48 1HG GLN 48 7.874 5.948 -1.651 202 2HG GLN 48 2HG GLN 48 9.242 6.527 -2.578 203 1HE2 GLN 48 2HE2 GLN 48 6.043 7.273 -1.584 204 2HE2 GLN 48 1HE2 GLN 48 5.824 8.681 -2.634 205 HA PRO 49 HA PRO 49 5.252 2.711 -7.397 206 1HB PRO 49 2HB PRO 49 7.664 3.676 -8.949 207 2HB PRO 49 1HB PRO 49 5.994 3.387 -9.533 208 1HG PRO 49 1HG PRO 49 6.785 5.895 -8.934 209 2HG PRO 49 2HG PRO 49 5.181 5.316 -8.375 210 1HD PRO 49 1HD PRO 49 7.748 5.550 -6.808 211 2HD PRO 49 2HD PRO 49 6.075 5.964 -6.334 212 H GLY 50 H GLY 50 8.612 2.314 -6.357 213 1HA GLY 50 2HA GLY 50 9.753 0.321 -7.656 214 2HA GLY 50 1HA GLY 50 8.425 -0.609 -6.968 215 H HIS 51 H HIS 51 9.185 1.622 -4.613 216 HA HIS 51 HA HIS 51 11.639 0.722 -3.538 217 1HB HIS 51 1HB HIS 51 11.107 2.014 -1.660 218 2HB HIS 51 2HB HIS 51 10.300 2.837 -2.981 219 HD1 HIS 51 HD1 HIS 51 7.428 1.822 -3.092 220 HD2 HIS 51 HD2 HIS 51 9.724 1.584 0.439 221 HE1 HIS 51 HE1 HIS 51 5.820 1.254 -1.221 222 H PHE 52 H PHE 52 8.441 -0.689 -3.203 223 HA PHE 52 HA PHE 52 8.673 -1.913 -0.711 224 1HB PHE 52 1HB PHE 52 6.774 -3.315 -1.437 225 2HB PHE 52 2HB PHE 52 6.556 -1.605 -1.745 226 HD1 PHE 52 HD1 PHE 52 6.960 -4.927 -3.298 227 HD2 PHE 52 HD2 PHE 52 6.506 -0.701 -4.055 228 HE1 PHE 52 HE1 PHE 52 6.425 -5.404 -5.670 229 HE2 PHE 52 HE2 PHE 52 5.964 -1.191 -6.421 230 HZ PHE 52 HZ PHE 52 5.929 -3.537 -7.239 231 H SER 53 H SER 53 9.555 -3.338 -3.885 232 HA SER 53 HA SER 53 10.327 -5.900 -3.024 233 1HB SER 53 1HB SER 53 11.562 -4.208 -5.230 234 2HB SER 53 2HB SER 53 11.667 -5.974 -5.078 235 HG SER 53 HG SER 53 9.999 -5.326 -6.519 236 H LYS 54 H LYS 54 11.834 -3.001 -2.098 237 HA LYS 54 HA LYS 54 14.362 -4.374 -1.269 238 1HB LYS 54 1HB LYS 54 14.015 -1.469 -2.126 239 2HB LYS 54 2HB LYS 54 15.528 -2.248 -1.682 240 1HG LYS 54 1HG LYS 54 13.858 -2.909 -4.148 241 2HG LYS 54 2HG LYS 54 15.302 -1.906 -4.109 242 1HD LYS 54 1HD LYS 54 16.685 -3.805 -3.414 243 2HD LYS 54 2HD LYS 54 15.259 -4.855 -3.329 244 1HE LYS 54 1HE LYS 54 14.824 -4.455 -5.747 245 2HE LYS 54 2HE LYS 54 16.276 -3.451 -5.836 246 1HZ LYS 54 3HZ LYS 54 16.242 -6.338 -5.118 247 2HZ LYS 54 1HZ LYS 54 16.719 -5.732 -6.556 248 3HZ LYS 54 2HZ LYS 54 17.586 -5.412 -5.213 249 H GLN 55 H GLN 55 11.578 -3.323 0.039 250 HA GLN 55 HA GLN 55 12.849 -2.837 2.643 251 1HB GLN 55 1HB GLN 55 12.730 -0.566 1.559 252 2HB GLN 55 2HB GLN 55 10.977 -0.729 1.476 253 1HG GLN 55 1HG GLN 55 10.987 -1.008 4.021 254 2HG GLN 55 2HG GLN 55 12.717 -0.652 3.986 255 1HE2 GLN 55 1HE2 GLN 55 9.466 0.654 3.455 256 2HE2 GLN 55 2HE2 GLN 55 9.943 2.344 3.480 257 H CYS 56 H CYS 56 9.576 -2.340 1.217 258 HA CYS 56 HA CYS 56 8.336 -3.386 3.612 259 1HB CYS 56 1HB CYS 56 7.139 -2.273 1.040 260 2HB CYS 56 2HB CYS 56 6.288 -2.530 2.567 261 H ARG 57 H ARG 57 9.296 -4.934 0.790 262 HA ARG 57 HA ARG 57 7.671 -7.348 1.308 263 1HB ARG 57 1HB ARG 57 6.680 -5.530 -0.441 264 2HB ARG 57 2HB ARG 57 7.826 -6.276 -1.527 265 1HG ARG 57 1HG ARG 57 5.545 -7.193 -1.727 266 2HG ARG 57 2HG ARG 57 6.696 -8.448 -1.284 267 1HD ARG 57 1HD ARG 57 4.494 -8.570 -0.064 268 2HD ARG 57 2HD ARG 57 5.901 -8.527 0.977 269 HE ARG 57 HE ARG 57 5.389 -6.336 1.691 270 1HH1 ARG 57 1HH2 ARG 57 2.984 -7.293 -0.708 271 2HH1 ARG 57 2HH2 ARG 57 1.964 -5.925 -0.279 272 1HH2 ARG 57 2HH1 ARG 57 3.984 -4.689 2.135 273 2HH2 ARG 57 1HH1 ARG 57 2.494 -4.553 1.211 274 H SER 58 H SER 58 10.591 -6.492 1.354 275 HA SER 58 HA SER 58 12.223 -7.602 -0.587 276 1HB SER 58 1HB SER 58 12.676 -7.682 2.416 277 2HB SER 58 2HB SER 58 13.919 -7.806 1.154 278 HG SER 58 HG SER 58 13.688 -5.651 1.981 No H/Q in entry = 278 Start of MODEL 28 1 H1 GLN 22 H1 GLN 22 -6.894 0.694 -5.654 2 H2 GLN 22 H3 GLN 22 -6.926 0.179 -7.220 3 H3 GLN 22 H2 GLN 22 -8.003 -0.411 -6.126 4 HA GLN 22 HA GLN 22 -6.345 -2.063 -6.532 5 1HB GLN 22 1HB GLN 22 -4.569 -0.426 -7.207 6 2HB GLN 22 2HB GLN 22 -4.351 0.003 -5.505 7 1HG GLN 22 1HG GLN 22 -3.665 -2.343 -5.008 8 2HG GLN 22 2HG GLN 22 -4.006 -2.795 -6.680 9 1HE2 GLN 22 2HE2 GLN 22 -1.866 -3.418 -7.255 10 2HE2 GLN 22 1HE2 GLN 22 -0.551 -2.254 -7.275 11 H THR 23 H THR 23 -6.293 -3.584 -4.906 12 HA THR 23 HA THR 23 -7.772 -3.272 -2.650 13 HB THR 23 HB THR 23 -5.474 -5.239 -2.895 14 HG1 THR 23 HG1 THR 23 -6.968 -6.473 -4.044 15 1HG2 THR 23 3HG2 THR 23 -8.231 -5.475 -1.600 16 2HG2 THR 23 1HG2 THR 23 -7.023 -6.770 -1.721 17 3HG2 THR 23 2HG2 THR 23 -6.686 -5.355 -0.719 18 H CYS 24 H CYS 24 -7.635 -2.595 -0.645 19 HA CYS 24 HA CYS 24 -5.729 -0.897 0.391 20 1HB CYS 24 1HB CYS 24 -8.127 -1.379 1.107 21 2HB CYS 24 2HB CYS 24 -7.512 -2.781 1.979 22 H TYR 25 H TYR 25 -4.088 -0.998 1.947 23 HA TYR 25 HA TYR 25 -2.533 -3.385 2.314 24 1HB TYR 25 1HB TYR 25 -1.121 -2.164 3.590 25 2HB TYR 25 2HB TYR 25 -1.768 -0.931 2.537 26 HD1 TYR 25 HD1 TYR 25 -0.784 -1.601 5.783 27 HD2 TYR 25 HD2 TYR 25 -4.096 0.203 3.681 28 HE1 TYR 25 HE1 TYR 25 -1.399 -0.329 7.832 29 HE2 TYR 25 HE2 TYR 25 -4.743 1.413 5.752 30 HH TYR 25 HH TYR 25 -4.298 1.767 7.968 31 H ASN 26 H ASN 26 -5.391 -2.297 3.890 32 HA ASN 26 HA ASN 26 -5.059 -4.252 6.150 33 1HB ASN 26 1HB ASN 26 -4.606 -1.996 6.899 34 2HB ASN 26 2HB ASN 26 -6.031 -1.362 6.082 35 1HD2 ASN 26 2HD2 ASN 26 -8.106 -1.584 7.072 36 2HD2 ASN 26 1HD2 ASN 26 -8.239 -2.174 8.722 37 H CYS 27 H CYS 27 -7.496 -2.390 4.266 38 HA CYS 27 HA CYS 27 -9.691 -3.680 5.554 39 1HB CYS 27 1HB CYS 27 -9.635 -1.879 3.104 40 2HB CYS 27 2HB CYS 27 -11.023 -2.200 4.148 41 H GLY 28 H GLY 28 -7.854 -4.837 2.943 42 1HA GLY 28 2HA GLY 28 -9.401 -7.133 2.462 43 2HA GLY 28 1HA GLY 28 -8.124 -6.523 1.406 44 H LYS 29 H LYS 29 -9.513 -4.033 0.742 45 HA LYS 29 HA LYS 29 -11.831 -4.999 -0.884 46 1HB LYS 29 1HB LYS 29 -12.374 -3.692 1.209 47 2HB LYS 29 2HB LYS 29 -11.516 -2.336 0.520 48 1HG LYS 29 1HG LYS 29 -13.569 -1.720 -0.187 49 2HG LYS 29 2HG LYS 29 -13.248 -2.800 -1.538 50 1HD LYS 29 1HD LYS 29 -14.811 -3.439 1.007 51 2HD LYS 29 2HD LYS 29 -15.490 -3.147 -0.597 52 1HE LYS 29 1HE LYS 29 -14.344 -5.179 -1.459 53 2HE LYS 29 2HE LYS 29 -13.671 -5.480 0.151 54 1HZ LYS 29 2HZ LYS 29 -16.571 -5.434 -0.494 55 2HZ LYS 29 3HZ LYS 29 -15.687 -6.777 -0.217 56 3HZ LYS 29 1HZ LYS 29 -15.944 -5.712 0.990 57 HA PRO 30 HA PRO 30 -9.180 -3.684 -4.284 58 1HB PRO 30 2HB PRO 30 -11.852 -3.674 -5.695 59 2HB PRO 30 1HB PRO 30 -10.269 -4.281 -6.278 60 1HG PRO 30 1HG PRO 30 -12.085 -6.013 -5.288 61 2HG PRO 30 2HG PRO 30 -10.364 -6.158 -4.797 62 1HD PRO 30 1HD PRO 30 -12.662 -4.932 -3.269 63 2HD PRO 30 2HD PRO 30 -11.333 -5.984 -2.691 64 H GLY 31 H GLY 31 -12.121 -1.828 -3.556 65 1HA GLY 31 2HA GLY 31 -12.807 0.313 -4.017 66 2HA GLY 31 1HA GLY 31 -11.582 0.400 -5.281 67 H HIS 32 H HIS 32 -9.272 0.037 -3.598 68 HA HIS 32 HA HIS 32 -9.321 2.471 -1.872 69 1HB HIS 32 1HB HIS 32 -7.920 -0.170 -1.627 70 2HB HIS 32 2HB HIS 32 -7.139 1.266 -0.976 71 HD1 HIS 32 HD1 HIS 32 -10.487 -0.624 -0.564 72 HD2 HIS 32 HD2 HIS 32 -7.892 2.046 1.361 73 HE1 HIS 32 HE1 HIS 32 -11.420 -0.294 1.808 74 H LEU 33 H LEU 33 -7.511 3.706 -1.681 75 HA LEU 33 HA LEU 33 -5.563 4.083 -3.832 76 1HB LEU 33 1HB LEU 33 -7.895 5.988 -3.256 77 2HB LEU 33 2HB LEU 33 -6.478 6.449 -4.184 78 HG LEU 33 HG LEU 33 -8.494 4.335 -5.039 79 1HD1 LEU 33 1HD1 LEU 33 -9.412 6.609 -5.046 80 2HD1 LEU 33 2HD1 LEU 33 -8.031 7.179 -6.007 81 3HD1 LEU 33 3HD1 LEU 33 -9.179 6.004 -6.693 82 1HD2 LEU 33 2HD2 LEU 33 -6.136 5.590 -6.526 83 2HD2 LEU 33 3HD2 LEU 33 -6.242 3.898 -5.991 84 3HD2 LEU 33 1HD2 LEU 33 -7.346 4.498 -7.233 85 H SER 34 H SER 34 -4.261 6.106 -3.254 86 HA SER 34 HA SER 34 -3.408 6.382 -0.588 87 1HB SER 34 1HB SER 34 -3.412 8.497 -2.776 88 2HB SER 34 2HB SER 34 -2.335 8.437 -1.368 89 HG SER 34 HG SER 34 -1.473 7.572 -3.410 90 H SER 35 H SER 35 -6.287 7.718 -2.038 91 HA SER 35 HA SER 35 -6.776 9.685 0.114 92 1HB SER 35 1HB SER 35 -8.767 10.221 -1.291 93 2HB SER 35 2HB SER 35 -7.229 10.376 -2.153 94 HG SER 35 HG SER 35 -8.830 9.239 -3.373 95 H GLN 36 H GLN 36 -7.295 6.374 -0.238 96 HA GLN 36 HA GLN 36 -9.893 6.373 1.244 97 1HB GLN 36 1HB GLN 36 -9.485 5.139 -1.036 98 2HB GLN 36 2HB GLN 36 -8.569 3.993 -0.064 99 1HG GLN 36 1HG GLN 36 -10.688 3.020 -0.140 100 2HG GLN 36 2HG GLN 36 -10.748 3.848 1.408 101 1HE2 GLN 36 2HE2 GLN 36 -12.075 3.639 -1.848 102 2HE2 GLN 36 1HE2 GLN 36 -13.273 4.913 -1.626 103 H CYS 37 H CYS 37 -6.616 4.962 1.248 104 HA CYS 37 HA CYS 37 -6.520 4.942 4.185 105 1HB CYS 37 1HB CYS 37 -6.160 2.453 2.466 106 2HB CYS 37 2HB CYS 37 -5.322 2.627 3.989 107 H ARG 38 H ARG 38 -4.177 4.285 4.816 108 HA ARG 38 HA ARG 38 -2.343 6.210 3.857 109 1HB ARG 38 1HB ARG 38 -1.843 3.594 5.354 110 2HB ARG 38 2HB ARG 38 -0.604 4.787 5.003 111 1HG ARG 38 1HG ARG 38 -1.165 5.175 7.195 112 2HG ARG 38 2HG ARG 38 -1.899 6.504 6.315 113 1HD ARG 38 1HD ARG 38 -3.486 4.024 7.080 114 2HD ARG 38 2HD ARG 38 -3.169 5.301 8.259 115 HE ARG 38 HE ARG 38 -4.205 6.669 6.088 116 1HH1 ARG 38 1HH2 ARG 38 -5.428 4.213 8.268 117 2HH1 ARG 38 2HH2 ARG 38 -7.085 4.688 8.020 118 1HH2 ARG 38 1HH1 ARG 38 -6.343 7.270 5.879 119 2HH2 ARG 38 2HH1 ARG 38 -7.576 6.375 6.712 120 H ALA 39 H ALA 39 -2.703 2.842 2.775 121 HA ALA 39 HA ALA 39 -1.489 3.502 0.232 122 1HB ALA 39 1HB ALA 39 0.561 3.061 1.577 123 2HB ALA 39 2HB ALA 39 -0.114 1.493 2.082 124 3HB ALA 39 3HB ALA 39 0.322 1.769 0.390 125 HA PRO 40 HA PRO 40 -3.685 -0.428 -0.827 126 1HB PRO 40 2HB PRO 40 -2.527 -1.043 -3.201 127 2HB PRO 40 1HB PRO 40 -3.675 0.321 -3.040 128 1HG PRO 40 1HG PRO 40 -0.641 0.428 -3.020 129 2HG PRO 40 2HG PRO 40 -1.776 1.436 -3.975 130 1HD PRO 40 1HD PRO 40 -0.689 2.258 -1.597 131 2HD PRO 40 2HD PRO 40 -2.330 2.745 -2.110 132 H LYS 41 H LYS 41 -2.953 -2.708 -1.237 133 HA LYS 41 HA LYS 41 -1.214 -3.567 0.757 134 1HB LYS 41 1HB LYS 41 -3.162 -4.771 -0.438 135 2HB LYS 41 2HB LYS 41 -2.005 -5.218 -1.677 136 1HG LYS 41 1HG LYS 41 -2.404 -7.037 -0.102 137 2HG LYS 41 2HG LYS 41 -0.718 -6.538 -0.022 138 1HD LYS 41 1HD LYS 41 -1.136 -5.310 2.065 139 2HD LYS 41 2HD LYS 41 -2.883 -5.628 1.926 140 1HE LYS 41 1HE LYS 41 -2.483 -8.036 2.171 141 2HE LYS 41 2HE LYS 41 -0.736 -7.763 2.247 142 1HZ LYS 41 1HZ LYS 41 -2.683 -6.651 4.207 143 2HZ LYS 41 2HZ LYS 41 -1.756 -7.975 4.471 144 3HZ LYS 41 3HZ LYS 41 -1.064 -6.507 4.292 145 H VAL 42 H VAL 42 -0.151 -2.563 -2.292 146 HA VAL 42 HA VAL 42 2.357 -3.859 -2.620 147 HB VAL 42 HB VAL 42 1.614 -0.939 -3.083 148 1HG1 VAL 42 3HG1 VAL 42 3.858 -2.618 -4.279 149 2HG1 VAL 42 1HG1 VAL 42 3.383 -0.999 -4.837 150 3HG1 VAL 42 2HG1 VAL 42 4.042 -1.204 -3.217 151 1HG2 VAL 42 2HG2 VAL 42 1.471 -3.339 -4.963 152 2HG2 VAL 42 3HG2 VAL 42 0.087 -2.427 -4.320 153 3HG2 VAL 42 1HG2 VAL 42 1.206 -1.643 -5.430 154 H CYS 43 H CYS 43 1.331 -1.444 -0.265 155 HA CYS 43 HA CYS 43 3.883 -1.615 1.221 156 1HB CYS 43 1HB CYS 43 3.968 0.217 -0.535 157 2HB CYS 43 2HB CYS 43 2.637 1.017 0.310 158 H PHE 44 H PHE 44 3.276 0.430 2.939 159 HA PHE 44 HA PHE 44 0.535 0.139 4.042 160 1HB PHE 44 1HB PHE 44 1.286 -0.151 6.278 161 2HB PHE 44 2HB PHE 44 2.085 -1.380 5.315 162 HD1 PHE 44 HD1 PHE 44 2.517 1.496 7.511 163 HD2 PHE 44 HD2 PHE 44 4.559 -1.052 4.691 164 HE1 PHE 44 HE1 PHE 44 4.702 2.298 8.367 165 HE2 PHE 44 HE2 PHE 44 6.742 -0.240 5.545 166 HZ PHE 44 HZ PHE 44 6.822 1.435 7.380 167 H LYS 45 H LYS 45 3.120 2.156 3.096 168 HA LYS 45 HA LYS 45 1.864 4.633 4.101 169 1HB LYS 45 1HB LYS 45 3.114 3.847 6.061 170 2HB LYS 45 2HB LYS 45 4.560 3.605 5.087 171 1HG LYS 45 1HG LYS 45 4.647 6.106 4.695 172 2HG LYS 45 2HG LYS 45 3.219 6.271 5.724 173 1HD LYS 45 1HD LYS 45 5.200 6.789 7.008 174 2HD LYS 45 2HD LYS 45 4.510 5.279 7.624 175 1HE LYS 45 1HE LYS 45 6.194 3.976 6.346 176 2HE LYS 45 2HE LYS 45 6.832 5.465 5.640 177 1HZ LYS 45 2HZ LYS 45 6.881 4.805 8.541 178 2HZ LYS 45 3HZ LYS 45 8.164 4.732 7.535 179 3HZ LYS 45 1HZ LYS 45 7.482 6.173 7.879 180 H CYS 46 H CYS 46 5.094 3.558 2.982 181 HA CYS 46 HA CYS 46 5.670 5.989 1.719 182 1HB CYS 46 1HB CYS 46 7.478 3.999 0.776 183 2HB CYS 46 2HB CYS 46 7.707 5.203 2.024 184 H LYS 47 H LYS 47 4.596 2.944 0.308 185 HA LYS 47 HA LYS 47 4.032 2.275 -1.811 186 1HB LYS 47 1HB LYS 47 2.002 3.402 -2.534 187 2HB LYS 47 2HB LYS 47 2.074 3.171 -0.793 188 1HG LYS 47 1HG LYS 47 2.743 5.542 -0.496 189 2HG LYS 47 2HG LYS 47 2.631 5.799 -2.239 190 1HD LYS 47 1HD LYS 47 0.258 5.411 -2.210 191 2HD LYS 47 2HD LYS 47 0.292 4.805 -0.547 192 1HE LYS 47 1HE LYS 47 1.146 7.631 -1.297 193 2HE LYS 47 2HE LYS 47 -0.519 7.212 -0.878 194 1HZ LYS 47 3HZ LYS 47 1.775 6.727 0.956 195 2HZ LYS 47 1HZ LYS 47 0.756 8.010 1.058 196 3HZ LYS 47 2HZ LYS 47 0.202 6.484 1.283 197 H GLN 48 H GLN 48 6.503 3.954 -2.093 198 HA GLN 48 HA GLN 48 6.298 5.294 -4.625 199 1HB GLN 48 1HB GLN 48 8.747 4.139 -3.233 200 2HB GLN 48 2HB GLN 48 8.786 5.249 -4.596 201 1HG GLN 48 1HG GLN 48 7.785 5.839 -1.784 202 2HG GLN 48 2HG GLN 48 9.229 6.464 -2.555 203 1HE2 GLN 48 2HE2 GLN 48 5.898 7.074 -1.981 204 2HE2 GLN 48 1HE2 GLN 48 5.748 8.440 -3.094 205 HA PRO 49 HA PRO 49 5.970 2.326 -7.671 206 1HB PRO 49 2HB PRO 49 8.447 3.412 -9.026 207 2HB PRO 49 1HB PRO 49 6.856 3.009 -9.748 208 1HG PRO 49 1HG PRO 49 7.436 5.569 -9.138 209 2HG PRO 49 2HG PRO 49 5.826 4.901 -8.712 210 1HD PRO 49 1HD PRO 49 8.221 5.326 -6.928 211 2HD PRO 49 2HD PRO 49 6.491 5.637 -6.616 212 H GLY 50 H GLY 50 9.224 2.128 -6.309 213 1HA GLY 50 2HA GLY 50 10.564 0.143 -7.487 214 2HA GLY 50 1HA GLY 50 9.233 -0.807 -6.826 215 H HIS 51 H HIS 51 9.482 1.370 -4.463 216 HA HIS 51 HA HIS 51 11.948 0.636 -3.140 217 1HB HIS 51 1HB HIS 51 11.249 2.026 -1.422 218 2HB HIS 51 2HB HIS 51 10.512 2.766 -2.831 219 HD1 HIS 51 HD1 HIS 51 7.680 1.705 -3.080 220 HD2 HIS 51 HD2 HIS 51 9.757 1.587 0.588 221 HE1 HIS 51 HE1 HIS 51 5.970 1.129 -1.293 222 H PHE 52 H PHE 52 8.724 -0.782 -3.170 223 HA PHE 52 HA PHE 52 8.730 -1.922 -0.599 224 1HB PHE 52 1HB PHE 52 6.866 -3.341 -1.469 225 2HB PHE 52 2HB PHE 52 6.676 -1.615 -1.685 226 HD1 PHE 52 HD1 PHE 52 6.683 -0.574 -3.912 227 HD2 PHE 52 HD2 PHE 52 7.164 -4.838 -3.432 228 HE1 PHE 52 HE1 PHE 52 6.243 -0.899 -6.326 229 HE2 PHE 52 HE2 PHE 52 6.729 -5.153 -5.853 230 HZ PHE 52 HZ PHE 52 6.272 -3.184 -7.307 231 H SER 53 H SER 53 9.675 -3.502 -3.696 232 HA SER 53 HA SER 53 10.361 -6.026 -2.690 233 1HB SER 53 1HB SER 53 11.701 -4.510 -4.959 234 2HB SER 53 2HB SER 53 11.704 -6.268 -4.719 235 HG SER 53 HG SER 53 10.094 -5.614 -6.212 236 H LYS 54 H LYS 54 11.903 -3.184 -1.768 237 HA LYS 54 HA LYS 54 14.248 -4.650 -0.690 238 1HB LYS 54 1HB LYS 54 15.756 -2.846 -1.352 239 2HB LYS 54 2HB LYS 54 14.990 -3.590 -2.747 240 1HG LYS 54 1HG LYS 54 13.390 -1.664 -2.894 241 2HG LYS 54 2HG LYS 54 14.170 -0.935 -1.483 242 1HD LYS 54 1HD LYS 54 15.096 0.175 -3.370 243 2HD LYS 54 2HD LYS 54 16.337 -0.927 -2.790 244 1HE LYS 54 1HE LYS 54 16.415 -1.212 -5.107 245 2HE LYS 54 2HE LYS 54 15.481 -2.604 -4.566 246 1HZ LYS 54 1HZ LYS 54 13.436 -1.318 -5.195 247 2HZ LYS 54 2HZ LYS 54 14.379 -0.098 -5.732 248 3HZ LYS 54 3HZ LYS 54 14.430 -1.547 -6.469 249 H GLN 55 H GLN 55 11.601 -3.369 0.354 250 HA GLN 55 HA GLN 55 12.828 -2.556 2.887 251 1HB GLN 55 1HB GLN 55 12.675 -0.415 1.527 252 2HB GLN 55 2HB GLN 55 10.920 -0.606 1.530 253 1HG GLN 55 1HG GLN 55 11.040 -0.632 4.091 254 2HG GLN 55 2HG GLN 55 12.755 -0.242 3.945 255 1HE2 GLN 55 1HE2 GLN 55 9.455 0.928 3.506 256 2HE2 GLN 55 2HE2 GLN 55 9.880 2.624 3.339 257 H CYS 56 H CYS 56 9.643 -2.568 1.206 258 HA CYS 56 HA CYS 56 8.306 -3.306 3.740 259 1HB CYS 56 1HB CYS 56 7.202 -2.160 1.142 260 2HB CYS 56 2HB CYS 56 6.317 -2.380 2.654 261 H ARG 57 H ARG 57 9.321 -4.917 1.014 262 HA ARG 57 HA ARG 57 7.657 -7.294 1.523 263 1HB ARG 57 1HB ARG 57 6.735 -5.553 -0.329 264 2HB ARG 57 2HB ARG 57 7.944 -6.307 -1.340 265 1HG ARG 57 1HG ARG 57 5.682 -7.269 -1.612 266 2HG ARG 57 2HG ARG 57 6.839 -8.490 -1.098 267 1HD ARG 57 1HD ARG 57 4.592 -8.627 0.040 268 2HD ARG 57 2HD ARG 57 5.959 -8.538 1.131 269 HE ARG 57 HE ARG 57 5.390 -6.328 1.766 270 1HH1 ARG 57 1HH1 ARG 57 3.085 -7.409 -0.672 271 2HH1 ARG 57 2HH1 ARG 57 2.034 -6.040 -0.333 272 1HH2 ARG 57 1HH2 ARG 57 3.955 -4.689 2.103 273 2HH2 ARG 57 2HH2 ARG 57 2.494 -4.607 1.127 274 H SER 58 H SER 58 10.548 -6.433 1.712 275 HA SER 58 HA SER 58 12.308 -7.578 -0.097 276 1HB SER 58 1HB SER 58 12.583 -7.563 2.929 277 2HB SER 58 2HB SER 58 13.897 -7.680 1.743 278 HG SER 58 HG SER 58 13.566 -5.514 2.508 No H/Q in entry = 278 Start of MODEL 29 1 H1 GLN 22 H2 GLN 22 -7.668 -0.457 -7.220 2 H2 GLN 22 H1 GLN 22 -6.910 0.726 -6.378 3 H3 GLN 22 H3 GLN 22 -6.329 0.250 -7.847 4 HA GLN 22 HA GLN 22 -5.764 -1.912 -7.002 5 1HB GLN 22 1HB GLN 22 -4.651 0.271 -5.176 6 2HB GLN 22 2HB GLN 22 -3.954 -1.324 -5.456 7 1HG GLN 22 1HG GLN 22 -3.609 -0.752 -7.860 8 2HG GLN 22 2HG GLN 22 -4.232 0.872 -7.543 9 1HE2 GLN 22 2HE2 GLN 22 -2.414 2.207 -7.704 10 2HE2 GLN 22 1HE2 GLN 22 -0.930 1.900 -6.810 11 H THR 23 H THR 23 -5.007 -2.483 -4.336 12 HA THR 23 HA THR 23 -7.649 -2.933 -2.998 13 HB THR 23 HB THR 23 -5.315 -4.852 -3.352 14 HG1 THR 23 HG1 THR 23 -6.734 -5.940 -4.701 15 1HG2 THR 23 3HG2 THR 23 -6.546 -5.312 -1.238 16 2HG2 THR 23 1HG2 THR 23 -8.071 -5.375 -2.153 17 3HG2 THR 23 2HG2 THR 23 -6.800 -6.579 -2.439 18 H CYS 24 H CYS 24 -7.669 -2.717 -0.778 19 HA CYS 24 HA CYS 24 -5.823 -0.974 0.405 20 1HB CYS 24 1HB CYS 24 -8.270 -1.509 1.015 21 2HB CYS 24 2HB CYS 24 -7.629 -2.877 1.930 22 H TYR 25 H TYR 25 -4.225 -1.135 1.974 23 HA TYR 25 HA TYR 25 -2.785 -3.627 2.329 24 1HB TYR 25 1HB TYR 25 -1.245 -2.465 3.504 25 2HB TYR 25 2HB TYR 25 -1.854 -1.208 2.457 26 HD1 TYR 25 HD1 TYR 25 -0.731 -1.829 5.642 27 HD2 TYR 25 HD2 TYR 25 -4.096 0.051 3.696 28 HE1 TYR 25 HE1 TYR 25 -1.124 -0.423 7.661 29 HE2 TYR 25 HE2 TYR 25 -4.492 1.432 5.714 30 HH TYR 25 HH TYR 25 -3.826 1.915 7.844 31 H ASN 26 H ASN 26 -5.533 -2.267 3.956 32 HA ASN 26 HA ASN 26 -5.231 -4.209 6.232 33 1HB ASN 26 1HB ASN 26 -4.454 -1.969 6.847 34 2HB ASN 26 2HB ASN 26 -5.964 -1.250 6.287 35 1HD2 ASN 26 1HD2 ASN 26 -7.635 -1.079 7.785 36 2HD2 ASN 26 2HD2 ASN 26 -7.598 -1.864 9.354 37 H CYS 27 H CYS 27 -7.644 -2.223 4.396 38 HA CYS 27 HA CYS 27 -9.912 -3.296 5.756 39 1HB CYS 27 1HB CYS 27 -9.732 -1.988 3.006 40 2HB CYS 27 2HB CYS 27 -11.188 -2.184 3.984 41 H GLY 28 H GLY 28 -7.958 -4.747 3.313 42 1HA GLY 28 2HA GLY 28 -9.483 -7.138 3.007 43 2HA GLY 28 1HA GLY 28 -8.170 -6.593 1.954 44 H LYS 29 H LYS 29 -9.577 -4.097 1.203 45 HA LYS 29 HA LYS 29 -11.910 -5.078 -0.404 46 1HB LYS 29 1HB LYS 29 -11.212 -2.326 0.689 47 2HB LYS 29 2HB LYS 29 -12.551 -2.621 -0.404 48 1HG LYS 29 1HG LYS 29 -12.316 -3.606 2.453 49 2HG LYS 29 2HG LYS 29 -13.288 -2.285 1.854 50 1HD LYS 29 1HD LYS 29 -14.910 -3.884 1.990 51 2HD LYS 29 2HD LYS 29 -14.424 -4.078 0.315 52 1HE LYS 29 1HE LYS 29 -14.693 -6.254 1.310 53 2HE LYS 29 2HE LYS 29 -12.979 -6.019 0.988 54 1HZ LYS 29 3HZ LYS 29 -14.264 -5.640 3.643 55 2HZ LYS 29 1HZ LYS 29 -13.395 -6.951 3.206 56 3HZ LYS 29 2HZ LYS 29 -12.656 -5.504 3.350 57 HA PRO 30 HA PRO 30 -9.758 -3.330 -4.066 58 1HB PRO 30 2HB PRO 30 -11.795 -3.417 -5.847 59 2HB PRO 30 1HB PRO 30 -11.024 -4.913 -5.252 60 1HG PRO 30 1HG PRO 30 -13.576 -3.615 -4.239 61 2HG PRO 30 2HG PRO 30 -13.328 -5.321 -4.732 62 1HD PRO 30 1HD PRO 30 -13.172 -4.469 -2.127 63 2HD PRO 30 2HD PRO 30 -12.180 -5.822 -2.750 64 H GLY 31 H GLY 31 -10.894 -1.477 -5.729 65 1HA GLY 31 2HA GLY 31 -12.606 0.488 -4.572 66 2HA GLY 31 1HA GLY 31 -11.498 0.745 -5.927 67 H HIS 32 H HIS 32 -9.119 0.036 -4.323 68 HA HIS 32 HA HIS 32 -8.973 2.285 -2.370 69 1HB HIS 32 1HB HIS 32 -8.152 -0.583 -2.274 70 2HB HIS 32 2HB HIS 32 -7.035 0.573 -1.557 71 HD1 HIS 32 HD1 HIS 32 -10.775 -0.413 -1.180 72 HD2 HIS 32 HD2 HIS 32 -7.587 1.502 0.788 73 HE1 HIS 32 HE1 HIS 32 -11.579 0.076 1.208 74 H LEU 33 H LEU 33 -7.161 3.415 -2.106 75 HA LEU 33 HA LEU 33 -4.969 3.514 -4.056 76 1HB LEU 33 1HB LEU 33 -7.223 5.584 -3.849 77 2HB LEU 33 2HB LEU 33 -5.682 5.925 -4.616 78 HG LEU 33 HG LEU 33 -7.691 3.872 -5.616 79 1HD1 LEU 33 1HD1 LEU 33 -8.463 6.187 -5.850 80 2HD1 LEU 33 2HD1 LEU 33 -6.938 6.629 -6.649 81 3HD1 LEU 33 3HD1 LEU 33 -8.056 5.481 -7.424 82 1HD2 LEU 33 2HD2 LEU 33 -5.085 4.909 -6.831 83 2HD2 LEU 33 3HD2 LEU 33 -5.373 3.255 -6.245 84 3HD2 LEU 33 1HD2 LEU 33 -6.262 3.858 -7.649 85 H SER 34 H SER 34 -3.602 5.459 -3.537 86 HA SER 34 HA SER 34 -2.831 5.923 -0.903 87 1HB SER 34 1HB SER 34 -2.735 7.899 -3.214 88 2HB SER 34 2HB SER 34 -1.635 7.835 -1.827 89 HG SER 34 HG SER 34 -0.806 6.838 -3.775 90 H SER 35 H SER 35 -5.639 7.254 -2.480 91 HA SER 35 HA SER 35 -6.043 9.393 -0.464 92 1HB SER 35 1HB SER 35 -7.856 10.074 -2.035 93 2HB SER 35 2HB SER 35 -6.249 10.044 -2.780 94 HG SER 35 HG SER 35 -7.860 9.026 -4.090 95 H GLN 36 H GLN 36 -6.994 6.137 -0.936 96 HA GLN 36 HA GLN 36 -9.635 6.452 0.397 97 1HB GLN 36 1HB GLN 36 -9.216 4.946 -1.649 98 2HB GLN 36 2HB GLN 36 -8.284 3.911 -0.568 99 1HG GLN 36 1HG GLN 36 -10.426 2.937 -0.667 100 2HG GLN 36 2HG GLN 36 -10.402 3.747 0.891 101 1HE2 GLN 36 2HE2 GLN 36 -11.858 3.625 -2.320 102 2HE2 GLN 36 1HE2 GLN 36 -13.081 4.853 -1.993 103 H CYS 37 H CYS 37 -6.443 4.948 0.879 104 HA CYS 37 HA CYS 37 -6.706 5.040 3.821 105 1HB CYS 37 1HB CYS 37 -6.236 2.534 2.156 106 2HB CYS 37 2HB CYS 37 -5.582 2.664 3.781 107 H ARG 38 H ARG 38 -4.571 4.409 4.803 108 HA ARG 38 HA ARG 38 -2.461 6.131 4.100 109 1HB ARG 38 1HB ARG 38 -2.662 3.649 5.827 110 2HB ARG 38 2HB ARG 38 -1.106 4.452 5.604 111 1HG ARG 38 1HG ARG 38 -1.795 6.460 6.578 112 2HG ARG 38 2HG ARG 38 -3.514 6.096 6.444 113 1HD ARG 38 1HD ARG 38 -1.735 4.341 8.158 114 2HD ARG 38 2HD ARG 38 -2.282 5.918 8.758 115 HE ARG 38 HE ARG 38 -4.575 4.606 7.779 116 1HH1 ARG 38 2HH1 ARG 38 -2.343 4.173 10.442 117 2HH1 ARG 38 1HH1 ARG 38 -3.571 3.498 11.479 118 1HH2 ARG 38 1HH2 ARG 38 -6.086 3.721 9.145 119 2HH2 ARG 38 2HH2 ARG 38 -5.629 3.244 10.751 120 H ALA 39 H ALA 39 -2.872 2.779 3.000 121 HA ALA 39 HA ALA 39 -1.439 3.452 0.606 122 1HB ALA 39 3HB ALA 39 0.521 2.876 2.040 123 2HB ALA 39 1HB ALA 39 -0.235 1.311 2.427 124 3HB ALA 39 2HB ALA 39 0.300 1.658 0.777 125 HA PRO 40 HA PRO 40 -3.687 -0.378 -0.677 126 1HB PRO 40 2HB PRO 40 -2.477 -0.918 -3.049 127 2HB PRO 40 1HB PRO 40 -3.621 0.445 -2.857 128 1HG PRO 40 1HG PRO 40 -0.589 0.535 -2.790 129 2HG PRO 40 2HG PRO 40 -1.709 1.597 -3.701 130 1HD PRO 40 1HD PRO 40 -0.627 2.274 -1.265 131 2HD PRO 40 2HD PRO 40 -2.240 2.835 -1.791 132 H LYS 41 H LYS 41 -2.986 -2.653 -1.104 133 HA LYS 41 HA LYS 41 -1.289 -3.667 0.858 134 1HB LYS 41 1HB LYS 41 -3.176 -4.832 -0.353 135 2HB LYS 41 2HB LYS 41 -2.125 -5.015 -1.745 136 1HG LYS 41 1HG LYS 41 -2.227 -7.104 -0.574 137 2HG LYS 41 2HG LYS 41 -0.609 -6.470 -0.421 138 1HD LYS 41 1HD LYS 41 -1.140 -7.370 1.690 139 2HD LYS 41 2HD LYS 41 -1.282 -5.628 1.926 140 1HE LYS 41 1HE LYS 41 -3.770 -5.828 1.607 141 2HE LYS 41 2HE LYS 41 -3.578 -7.564 1.355 142 1HZ LYS 41 1HZ LYS 41 -2.654 -7.687 3.645 143 2HZ LYS 41 2HZ LYS 41 -3.000 -6.098 3.881 144 3HZ LYS 41 3HZ LYS 41 -4.198 -7.171 3.626 145 H VAL 42 H VAL 42 -0.205 -2.529 -2.181 146 HA VAL 42 HA VAL 42 2.316 -3.747 -2.545 147 HB VAL 42 HB VAL 42 1.549 -0.816 -2.881 148 1HG1 VAL 42 2HG1 VAL 42 3.760 -2.446 -4.198 149 2HG1 VAL 42 3HG1 VAL 42 3.282 -0.801 -4.667 150 3HG1 VAL 42 1HG1 VAL 42 3.977 -1.084 -3.074 151 1HG2 VAL 42 1HG2 VAL 42 1.356 -3.143 -4.845 152 2HG2 VAL 42 2HG2 VAL 42 -0.008 -2.236 -4.153 153 3HG2 VAL 42 3HG2 VAL 42 1.102 -1.432 -5.253 154 H CYS 43 H CYS 43 1.296 -1.435 -0.077 155 HA CYS 43 HA CYS 43 3.864 -1.647 1.367 156 1HB CYS 43 1HB CYS 43 3.943 0.223 -0.350 157 2HB CYS 43 2HB CYS 43 2.632 1.015 0.535 158 H PHE 44 H PHE 44 3.263 0.427 3.099 159 HA PHE 44 HA PHE 44 0.569 0.055 4.275 160 1HB PHE 44 1HB PHE 44 1.335 -0.332 6.465 161 2HB PHE 44 2HB PHE 44 2.216 -1.468 5.462 162 HD1 PHE 44 HD1 PHE 44 2.449 1.256 7.839 163 HD2 PHE 44 HD2 PHE 44 4.671 -0.889 4.823 164 HE1 PHE 44 HE1 PHE 44 4.570 2.177 8.744 165 HE2 PHE 44 HE2 PHE 44 6.786 0.044 5.726 166 HZ PHE 44 HZ PHE 44 6.740 1.580 7.683 167 H LYS 45 H LYS 45 3.297 2.122 3.570 168 HA LYS 45 HA LYS 45 1.796 4.521 4.402 169 1HB LYS 45 1HB LYS 45 2.914 3.732 6.479 170 2HB LYS 45 2HB LYS 45 4.483 3.820 5.676 171 1HG LYS 45 1HG LYS 45 4.205 6.276 5.410 172 2HG LYS 45 2HG LYS 45 2.590 6.172 6.142 173 1HD LYS 45 1HD LYS 45 3.608 5.303 8.242 174 2HD LYS 45 2HD LYS 45 5.221 5.424 7.503 175 1HE LYS 45 1HE LYS 45 4.901 7.871 7.209 176 2HE LYS 45 2HE LYS 45 3.288 7.752 7.927 177 1HZ LYS 45 3HZ LYS 45 4.340 6.994 9.995 178 2HZ LYS 45 1HZ LYS 45 5.830 7.108 9.333 179 3HZ LYS 45 2HZ LYS 45 4.935 8.451 9.568 180 H CYS 46 H CYS 46 5.163 3.573 3.435 181 HA CYS 46 HA CYS 46 5.640 6.095 2.214 182 1HB CYS 46 1HB CYS 46 7.736 4.670 1.372 183 2HB CYS 46 2HB CYS 46 7.560 5.283 3.011 184 H LYS 47 H LYS 47 4.687 3.021 0.785 185 HA LYS 47 HA LYS 47 4.071 2.399 -1.335 186 1HB LYS 47 1HB LYS 47 1.987 3.484 -1.914 187 2HB LYS 47 2HB LYS 47 2.158 3.241 -0.182 188 1HG LYS 47 1HG LYS 47 2.798 5.641 0.086 189 2HG LYS 47 2HG LYS 47 2.545 5.892 -1.643 190 1HD LYS 47 1HD LYS 47 0.201 5.373 -1.439 191 2HD LYS 47 2HD LYS 47 0.388 4.799 0.221 192 1HE LYS 47 1HE LYS 47 1.056 7.657 -0.584 193 2HE LYS 47 2HE LYS 47 -0.580 7.170 -0.114 194 1HZ LYS 47 1HZ LYS 47 1.790 6.790 1.645 195 2HZ LYS 47 2HZ LYS 47 0.702 8.015 1.789 196 3HZ LYS 47 3HZ LYS 47 0.242 6.454 2.014 197 H GLN 48 H GLN 48 6.508 4.062 -1.714 198 HA GLN 48 HA GLN 48 6.152 5.550 -4.142 199 1HB GLN 48 1HB GLN 48 8.663 4.299 -2.961 200 2HB GLN 48 2HB GLN 48 8.646 5.462 -4.278 201 1HG GLN 48 1HG GLN 48 7.807 5.953 -1.397 202 2HG GLN 48 2HG GLN 48 9.215 6.592 -2.222 203 1HE2 GLN 48 2HE2 GLN 48 5.909 7.192 -1.469 204 2HE2 GLN 48 1HE2 GLN 48 5.718 8.605 -2.513 205 HA PRO 49 HA PRO 49 5.620 2.820 -7.375 206 1HB PRO 49 2HB PRO 49 8.043 3.975 -8.772 207 2HB PRO 49 1HB PRO 49 6.413 3.641 -9.442 208 1HG PRO 49 1HG PRO 49 7.059 6.145 -8.677 209 2HG PRO 49 2HG PRO 49 5.462 5.464 -8.220 210 1HD PRO 49 1HD PRO 49 7.949 5.734 -6.534 211 2HD PRO 49 2HD PRO 49 6.240 6.039 -6.113 212 H GLY 50 H GLY 50 8.939 2.491 -6.205 213 1HA GLY 50 2HA GLY 50 10.192 0.585 -7.585 214 2HA GLY 50 1HA GLY 50 8.882 -0.399 -6.929 215 H HIS 51 H HIS 51 9.269 1.593 -4.432 216 HA HIS 51 HA HIS 51 11.791 0.760 -3.288 217 1HB HIS 51 1HB HIS 51 11.180 2.022 -1.439 218 2HB HIS 51 2HB HIS 51 10.389 2.864 -2.757 219 HD1 HIS 51 HD1 HIS 51 7.540 1.832 -2.959 220 HD2 HIS 51 HD2 HIS 51 9.773 1.438 0.596 221 HE1 HIS 51 HE1 HIS 51 5.912 1.107 -1.156 222 H PHE 52 H PHE 52 8.572 -0.662 -3.276 223 HA PHE 52 HA PHE 52 8.660 -1.941 -0.779 224 1HB PHE 52 1HB PHE 52 6.773 -3.310 -1.649 225 2HB PHE 52 2HB PHE 52 6.579 -1.578 -1.805 226 HD1 PHE 52 HD1 PHE 52 6.565 -0.462 -4.008 227 HD2 PHE 52 HD2 PHE 52 6.972 -4.745 -3.654 228 HE1 PHE 52 HE1 PHE 52 6.042 -0.714 -6.414 229 HE2 PHE 52 HE2 PHE 52 6.453 -4.986 -6.068 230 HZ PHE 52 HZ PHE 52 5.991 -2.972 -7.453 231 H SER 53 H SER 53 9.504 -3.361 -3.978 232 HA SER 53 HA SER 53 10.250 -5.924 -3.125 233 1HB SER 53 1HB SER 53 11.490 -4.281 -5.364 234 2HB SER 53 2HB SER 53 11.516 -6.051 -5.213 235 HG SER 53 HG SER 53 9.847 -5.334 -6.613 236 H LYS 54 H LYS 54 11.794 -3.121 -2.106 237 HA LYS 54 HA LYS 54 14.189 -4.610 -1.193 238 1HB LYS 54 1HB LYS 54 15.664 -2.769 -1.829 239 2HB LYS 54 2HB LYS 54 14.855 -3.465 -3.226 240 1HG LYS 54 1HG LYS 54 13.233 -1.543 -3.230 241 2HG LYS 54 2HG LYS 54 14.081 -0.860 -1.836 242 1HD LYS 54 1HD LYS 54 14.930 0.312 -3.717 243 2HD LYS 54 2HD LYS 54 16.186 -0.829 -3.260 244 1HE LYS 54 1HE LYS 54 16.133 -1.037 -5.580 245 2HE LYS 54 2HE LYS 54 15.174 -2.417 -5.052 246 1HZ LYS 54 2HZ LYS 54 13.150 -1.040 -5.523 247 2HZ LYS 54 3HZ LYS 54 14.106 0.176 -6.046 248 3HZ LYS 54 1HZ LYS 54 14.076 -1.235 -6.853 249 H GLN 55 H GLN 55 11.579 -3.409 0.006 250 HA GLN 55 HA GLN 55 12.897 -2.727 2.528 251 1HB GLN 55 1HB GLN 55 12.671 -0.507 1.313 252 2HB GLN 55 2HB GLN 55 10.920 -0.720 1.364 253 1HG GLN 55 1HG GLN 55 11.137 -0.910 3.916 254 2HG GLN 55 2HG GLN 55 12.837 -0.474 3.729 255 1HE2 GLN 55 1HE2 GLN 55 9.505 0.652 3.540 256 2HE2 GLN 55 2HE2 GLN 55 9.887 2.363 3.424 257 H CYS 56 H CYS 56 9.622 -2.579 1.026 258 HA CYS 56 HA CYS 56 8.423 -3.538 3.543 259 1HB CYS 56 1HB CYS 56 7.204 -2.246 1.067 260 2HB CYS 56 2HB CYS 56 6.356 -2.614 2.572 261 H ARG 57 H ARG 57 9.331 -4.972 0.678 262 HA ARG 57 HA ARG 57 7.712 -7.397 1.104 263 1HB ARG 57 1HB ARG 57 6.695 -5.532 -0.575 264 2HB ARG 57 2HB ARG 57 7.849 -6.217 -1.694 265 1HG ARG 57 1HG ARG 57 5.579 -7.161 -1.921 266 2HG ARG 57 2HG ARG 57 6.754 -8.414 -1.533 267 1HD ARG 57 1HD ARG 57 4.555 -8.614 -0.308 268 2HD ARG 57 2HD ARG 57 5.971 -8.601 0.723 269 HE ARG 57 HE ARG 57 5.445 -6.443 1.530 270 1HH1 ARG 57 2HH2 ARG 57 3.024 -7.330 -0.878 271 2HH1 ARG 57 1HH2 ARG 57 2.001 -5.985 -0.387 272 1HH2 ARG 57 2HH1 ARG 57 4.038 -4.826 2.049 273 2HH2 ARG 57 1HH1 ARG 57 2.537 -4.665 1.147 274 H SER 58 H SER 58 10.605 -6.531 1.211 275 HA SER 58 HA SER 58 12.278 -7.514 -0.763 276 1HB SER 58 1HB SER 58 12.704 -7.744 2.235 277 2HB SER 58 2HB SER 58 13.959 -7.752 0.979 278 HG SER 58 HG SER 58 13.646 -5.659 1.943 No H/Q in entry = 278 Start of MODEL 30 1 H1 GLN 22 H2 GLN 22 -7.907 -0.570 -7.205 2 H2 GLN 22 H1 GLN 22 -7.091 0.588 -6.377 3 H3 GLN 22 H3 GLN 22 -6.572 0.112 -7.867 4 HA GLN 22 HA GLN 22 -6.026 -2.069 -7.061 5 1HB GLN 22 1HB GLN 22 -4.812 0.057 -5.234 6 2HB GLN 22 2HB GLN 22 -4.157 -1.543 -5.579 7 1HG GLN 22 1HG GLN 22 -3.874 -0.914 -7.975 8 2HG GLN 22 2HG GLN 22 -4.465 0.710 -7.599 9 1HE2 GLN 22 2HE2 GLN 22 -2.510 1.824 -8.110 10 2HE2 GLN 22 1HE2 GLN 22 -1.058 1.583 -7.147 11 H THR 23 H THR 23 -5.197 -2.658 -4.412 12 HA THR 23 HA THR 23 -7.797 -3.046 -2.968 13 HB THR 23 HB THR 23 -5.461 -4.967 -3.306 14 HG1 THR 23 HG1 THR 23 -6.921 -6.121 -4.556 15 1HG2 THR 23 2HG2 THR 23 -8.168 -5.429 -1.977 16 2HG2 THR 23 3HG2 THR 23 -6.937 -6.666 -2.294 17 3HG2 THR 23 1HG2 THR 23 -6.595 -5.374 -1.144 18 H CYS 24 H CYS 24 -7.706 -2.959 -0.696 19 HA CYS 24 HA CYS 24 -5.871 -1.094 0.374 20 1HB CYS 24 1HB CYS 24 -8.283 -1.656 1.052 21 2HB CYS 24 2HB CYS 24 -7.606 -3.012 1.959 22 H TYR 25 H TYR 25 -4.282 -1.206 1.922 23 HA TYR 25 HA TYR 25 -2.682 -3.607 2.304 24 1HB TYR 25 1HB TYR 25 -1.229 -2.283 3.483 25 2HB TYR 25 2HB TYR 25 -1.882 -1.145 2.321 26 HD1 TYR 25 HD1 TYR 25 -0.855 -1.456 5.606 27 HD2 TYR 25 HD2 TYR 25 -4.233 0.048 3.377 28 HE1 TYR 25 HE1 TYR 25 -1.453 0.039 7.504 29 HE2 TYR 25 HE2 TYR 25 -4.869 1.452 5.302 30 HH TYR 25 HH TYR 25 -2.969 1.566 8.322 31 H ASN 26 H ASN 26 -5.513 -2.394 3.874 32 HA ASN 26 HA ASN 26 -5.065 -4.138 6.283 33 1HB ASN 26 1HB ASN 26 -4.417 -1.839 6.779 34 2HB ASN 26 2HB ASN 26 -5.934 -1.219 6.129 35 1HD2 ASN 26 1HD2 ASN 26 -7.761 -1.174 7.485 36 2HD2 ASN 26 2HD2 ASN 26 -7.704 -1.763 9.137 37 H CYS 27 H CYS 27 -7.589 -2.266 4.485 38 HA CYS 27 HA CYS 27 -9.790 -3.469 5.837 39 1HB CYS 27 1HB CYS 27 -9.710 -2.126 3.098 40 2HB CYS 27 2HB CYS 27 -11.124 -2.342 4.132 41 H GLY 28 H GLY 28 -7.850 -4.621 3.192 42 1HA GLY 28 2HA GLY 28 -9.258 -7.108 2.805 43 2HA GLY 28 1HA GLY 28 -7.924 -6.478 1.836 44 H LYS 29 H LYS 29 -10.192 -4.073 1.728 45 HA LYS 29 HA LYS 29 -12.057 -5.168 -0.256 46 1HB LYS 29 1HB LYS 29 -11.679 -2.548 1.203 47 2HB LYS 29 2HB LYS 29 -12.496 -2.497 -0.343 48 1HG LYS 29 1HG LYS 29 -14.137 -2.578 1.322 49 2HG LYS 29 2HG LYS 29 -14.209 -4.085 0.421 50 1HD LYS 29 1HD LYS 29 -12.705 -3.882 3.057 51 2HD LYS 29 2HD LYS 29 -14.458 -4.077 3.020 52 1HE LYS 29 1HE LYS 29 -14.299 -6.162 1.780 53 2HE LYS 29 2HE LYS 29 -12.545 -6.000 1.645 54 1HZ LYS 29 3HZ LYS 29 -14.006 -6.291 4.211 55 2HZ LYS 29 1HZ LYS 29 -13.151 -7.473 3.476 56 3HZ LYS 29 2HZ LYS 29 -12.380 -6.145 4.048 57 HA PRO 30 HA PRO 30 -9.870 -3.468 -3.909 58 1HB PRO 30 2HB PRO 30 -11.874 -3.572 -5.723 59 2HB PRO 30 1HB PRO 30 -11.139 -5.063 -5.071 60 1HG PRO 30 1HG PRO 30 -13.688 -3.696 -4.142 61 2HG PRO 30 2HG PRO 30 -13.458 -5.418 -4.585 62 1HD PRO 30 1HD PRO 30 -13.335 -4.502 -2.000 63 2HD PRO 30 2HD PRO 30 -12.353 -5.885 -2.572 64 H GLY 31 H GLY 31 -10.974 -1.648 -5.644 65 1HA GLY 31 2HA GLY 31 -12.663 0.379 -4.570 66 2HA GLY 31 1HA GLY 31 -11.532 0.576 -5.916 67 H HIS 32 H HIS 32 -9.200 -0.136 -4.240 68 HA HIS 32 HA HIS 32 -9.034 2.164 -2.350 69 1HB HIS 32 1HB HIS 32 -8.200 -0.698 -2.215 70 2HB HIS 32 2HB HIS 32 -7.081 0.472 -1.531 71 HD1 HIS 32 HD1 HIS 32 -10.801 -0.553 -1.065 72 HD2 HIS 32 HD2 HIS 32 -7.595 1.416 0.808 73 HE1 HIS 32 HE1 HIS 32 -11.545 -0.076 1.342 74 H LEU 33 H LEU 33 -7.168 3.261 -2.093 75 HA LEU 33 HA LEU 33 -5.024 3.317 -4.094 76 1HB LEU 33 1HB LEU 33 -7.193 5.468 -3.808 77 2HB LEU 33 2HB LEU 33 -5.660 5.755 -4.613 78 HG LEU 33 HG LEU 33 -7.769 3.788 -5.579 79 1HD1 LEU 33 2HD1 LEU 33 -8.456 6.138 -5.774 80 2HD1 LEU 33 3HD1 LEU 33 -6.937 6.525 -6.612 81 3HD1 LEU 33 1HD1 LEU 33 -8.120 5.429 -7.362 82 1HD2 LEU 33 1HD2 LEU 33 -5.162 4.741 -6.856 83 2HD2 LEU 33 2HD2 LEU 33 -5.490 3.095 -6.275 84 3HD2 LEU 33 3HD2 LEU 33 -6.397 3.739 -7.648 85 H SER 34 H SER 34 -3.608 5.224 -3.599 86 HA SER 34 HA SER 34 -2.691 5.540 -0.992 87 1HB SER 34 1HB SER 34 -2.527 7.534 -3.283 88 2HB SER 34 2HB SER 34 -1.386 7.371 -1.938 89 HG SER 34 HG SER 34 -0.716 6.310 -3.915 90 H SER 35 H SER 35 -5.593 6.888 -2.132 91 HA SER 35 HA SER 35 -5.697 8.959 0.020 92 1HB SER 35 1HB SER 35 -7.366 10.074 -1.436 93 2HB SER 35 2HB SER 35 -5.771 9.937 -2.198 94 HG SER 35 HG SER 35 -7.490 9.321 -3.618 95 H GLN 36 H GLN 36 -7.055 5.956 -1.008 96 HA GLN 36 HA GLN 36 -9.620 6.288 0.416 97 1HB GLN 36 1HB GLN 36 -9.200 4.805 -1.664 98 2HB GLN 36 2HB GLN 36 -8.327 3.725 -0.576 99 1HG GLN 36 1HG GLN 36 -10.503 2.820 -0.732 100 2HG GLN 36 2HG GLN 36 -10.491 3.616 0.832 101 1HE2 GLN 36 2HE2 GLN 36 -11.870 3.577 -2.416 102 2HE2 GLN 36 1HE2 GLN 36 -13.047 4.855 -2.111 103 H CYS 37 H CYS 37 -6.424 4.871 0.896 104 HA CYS 37 HA CYS 37 -6.720 4.880 3.816 105 1HB CYS 37 1HB CYS 37 -6.298 2.440 2.106 106 2HB CYS 37 2HB CYS 37 -5.317 2.565 3.541 107 H ARG 38 H ARG 38 -4.439 4.303 4.765 108 HA ARG 38 HA ARG 38 -2.556 6.291 4.010 109 1HB ARG 38 1HB ARG 38 -2.267 3.755 5.685 110 2HB ARG 38 2HB ARG 38 -0.923 4.827 5.352 111 1HG ARG 38 1HG ARG 38 -1.472 5.744 7.281 112 2HG ARG 38 2HG ARG 38 -2.533 6.730 6.294 113 1HD ARG 38 1HD ARG 38 -3.444 4.180 7.705 114 2HD ARG 38 2HD ARG 38 -3.387 5.728 8.515 115 HE ARG 38 HE ARG 38 -5.037 6.633 7.002 116 1HH1 ARG 38 2HH1 ARG 38 -4.927 3.102 7.027 117 2HH1 ARG 38 1HH1 ARG 38 -6.511 3.009 6.282 118 1HH2 ARG 38 1HH2 ARG 38 -7.130 6.359 6.320 119 2HH2 ARG 38 2HH2 ARG 38 -7.723 4.758 5.987 120 H ALA 39 H ALA 39 -2.785 2.964 2.859 121 HA ALA 39 HA ALA 39 -1.414 3.738 0.443 122 1HB ALA 39 2HB ALA 39 0.560 3.139 1.859 123 2HB ALA 39 3HB ALA 39 -0.185 1.559 2.202 124 3HB ALA 39 1HB ALA 39 0.337 1.956 0.558 125 HA PRO 40 HA PRO 40 -3.756 -0.039 -0.856 126 1HB PRO 40 2HB PRO 40 -2.624 -0.567 -3.260 127 2HB PRO 40 1HB PRO 40 -3.711 0.833 -3.023 128 1HG PRO 40 1HG PRO 40 -0.678 0.812 -3.013 129 2HG PRO 40 2HG PRO 40 -1.772 1.924 -3.894 130 1HD PRO 40 1HD PRO 40 -0.629 2.533 -1.465 131 2HD PRO 40 2HD PRO 40 -2.231 3.153 -1.955 132 H LYS 41 H LYS 41 -3.098 -2.304 -1.408 133 HA LYS 41 HA LYS 41 -1.502 -3.474 0.513 134 1HB LYS 41 1HB LYS 41 -3.351 -4.465 -0.875 135 2HB LYS 41 2HB LYS 41 -2.206 -4.669 -2.199 136 1HG LYS 41 1HG LYS 41 -0.888 -6.244 -0.861 137 2HG LYS 41 2HG LYS 41 -1.889 -5.910 0.570 138 1HD LYS 41 1HD LYS 41 -3.859 -6.884 -0.560 139 2HD LYS 41 2HD LYS 41 -2.928 -7.085 -2.047 140 1HE LYS 41 1HE LYS 41 -3.058 -9.227 -0.999 141 2HE LYS 41 2HE LYS 41 -1.392 -8.663 -0.887 142 1HZ LYS 41 2HZ LYS 41 -3.392 -8.525 1.315 143 2HZ LYS 41 3HZ LYS 41 -2.187 -9.618 1.211 144 3HZ LYS 41 1HZ LYS 41 -1.831 -8.044 1.434 145 H VAL 42 H VAL 42 -0.242 -2.178 -2.404 146 HA VAL 42 HA VAL 42 2.249 -3.489 -2.726 147 HB VAL 42 HB VAL 42 1.578 -0.532 -3.033 148 1HG1 VAL 42 1HG1 VAL 42 3.801 -2.193 -4.284 149 2HG1 VAL 42 2HG1 VAL 42 3.385 -0.530 -4.746 150 3HG1 VAL 42 3HG1 VAL 42 4.008 -0.854 -3.131 151 1HG2 VAL 42 2HG2 VAL 42 1.425 -2.818 -5.051 152 2HG2 VAL 42 3HG2 VAL 42 0.047 -1.907 -4.392 153 3HG2 VAL 42 1HG2 VAL 42 1.211 -1.096 -5.429 154 H CYS 43 H CYS 43 1.223 -1.189 -0.242 155 HA CYS 43 HA CYS 43 3.750 -1.492 1.260 156 1HB CYS 43 1HB CYS 43 3.939 0.385 -0.443 157 2HB CYS 43 2HB CYS 43 2.645 1.223 0.420 158 H PHE 44 H PHE 44 3.190 0.594 2.992 159 HA PHE 44 HA PHE 44 0.468 0.320 4.126 160 1HB PHE 44 1HB PHE 44 1.207 -0.164 6.328 161 2HB PHE 44 2HB PHE 44 1.949 -1.356 5.276 162 HD1 PHE 44 HD1 PHE 44 2.511 1.278 7.710 163 HD2 PHE 44 HD2 PHE 44 4.437 -1.054 4.633 164 HE1 PHE 44 HE1 PHE 44 4.733 1.926 8.607 165 HE2 PHE 44 HE2 PHE 44 6.655 -0.399 5.531 166 HZ PHE 44 HZ PHE 44 6.809 1.095 7.512 167 H LYS 45 H LYS 45 3.292 2.269 3.512 168 HA LYS 45 HA LYS 45 1.964 4.688 4.576 169 1HB LYS 45 1HB LYS 45 3.118 3.682 6.532 170 2HB LYS 45 2HB LYS 45 4.637 3.665 5.649 171 1HG LYS 45 1HG LYS 45 4.603 5.476 7.234 172 2HG LYS 45 2HG LYS 45 4.642 6.147 5.603 173 1HD LYS 45 1HD LYS 45 2.261 6.728 5.728 174 2HD LYS 45 2HD LYS 45 2.081 5.809 7.228 175 1HE LYS 45 1HE LYS 45 2.147 8.131 7.806 176 2HE LYS 45 2HE LYS 45 3.625 7.365 8.388 177 1HZ LYS 45 2HZ LYS 45 3.411 8.997 5.907 178 2HZ LYS 45 3HZ LYS 45 4.071 9.499 7.311 179 3HZ LYS 45 1HZ LYS 45 4.792 8.311 6.463 180 H CYS 46 H CYS 46 5.235 3.650 3.419 181 HA CYS 46 HA CYS 46 5.736 6.246 2.310 182 1HB CYS 46 1HB CYS 46 7.907 5.025 1.606 183 2HB CYS 46 2HB CYS 46 7.554 5.282 3.314 184 H LYS 47 H LYS 47 4.787 3.203 0.830 185 HA LYS 47 HA LYS 47 4.160 2.632 -1.303 186 1HB LYS 47 1HB LYS 47 2.132 3.853 -1.893 187 2HB LYS 47 2HB LYS 47 2.261 3.516 -0.173 188 1HG LYS 47 1HG LYS 47 2.958 5.832 0.275 189 2HG LYS 47 2HG LYS 47 2.891 6.215 -1.449 190 1HD LYS 47 1HD LYS 47 0.526 5.898 -1.509 191 2HD LYS 47 2HD LYS 47 0.479 5.173 0.101 192 1HE LYS 47 1HE LYS 47 1.427 8.028 -0.398 193 2HE LYS 47 2HE LYS 47 -0.268 7.627 -0.093 194 1HZ LYS 47 2HZ LYS 47 1.934 6.976 1.802 195 2HZ LYS 47 3HZ LYS 47 0.886 8.232 1.961 196 3HZ LYS 47 1HZ LYS 47 0.345 6.685 2.025 197 H GLN 48 H GLN 48 6.666 4.154 -1.659 198 HA GLN 48 HA GLN 48 6.403 5.716 -4.059 199 1HB GLN 48 1HB GLN 48 8.827 4.271 -2.917 200 2HB GLN 48 2HB GLN 48 8.883 5.466 -4.205 201 1HG GLN 48 1HG GLN 48 8.073 5.941 -1.311 202 2HG GLN 48 2HG GLN 48 9.531 6.494 -2.112 203 1HE2 GLN 48 2HE2 GLN 48 6.280 7.328 -1.350 204 2HE2 GLN 48 1HE2 GLN 48 6.204 8.777 -2.359 205 HA PRO 49 HA PRO 49 5.650 3.103 -7.324 206 1HB PRO 49 2HB PRO 49 8.175 4.023 -8.716 207 2HB PRO 49 1HB PRO 49 6.520 3.854 -9.386 208 1HG PRO 49 1HG PRO 49 7.404 6.280 -8.604 209 2HG PRO 49 2HG PRO 49 5.749 5.751 -8.149 210 1HD PRO 49 1HD PRO 49 8.253 5.768 -6.465 211 2HD PRO 49 2HD PRO 49 6.582 6.233 -6.034 212 H GLY 50 H GLY 50 8.970 2.480 -6.236 213 1HA GLY 50 2HA GLY 50 10.029 0.488 -7.593 214 2HA GLY 50 1HA GLY 50 8.640 -0.400 -6.973 215 H HIS 51 H HIS 51 9.397 1.643 -4.490 216 HA HIS 51 HA HIS 51 11.793 0.608 -3.387 217 1HB HIS 51 1HB HIS 51 11.241 1.845 -1.476 218 2HB HIS 51 2HB HIS 51 10.497 2.748 -2.783 219 HD1 HIS 51 HD1 HIS 51 7.607 1.861 -3.031 220 HD2 HIS 51 HD2 HIS 51 9.781 1.242 0.529 221 HE1 HIS 51 HE1 HIS 51 5.927 1.159 -1.271 222 H PHE 52 H PHE 52 8.554 -0.740 -3.291 223 HA PHE 52 HA PHE 52 8.622 -1.996 -0.798 224 1HB PHE 52 1HB PHE 52 6.737 -3.363 -1.654 225 2HB PHE 52 2HB PHE 52 6.562 -1.638 -1.889 226 HD1 PHE 52 HD1 PHE 52 6.608 -0.619 -4.143 227 HD2 PHE 52 HD2 PHE 52 6.974 -4.886 -3.591 228 HE1 PHE 52 HE1 PHE 52 6.138 -0.978 -6.549 229 HE2 PHE 52 HE2 PHE 52 6.506 -5.233 -6.001 230 HZ PHE 52 HZ PHE 52 6.090 -3.280 -7.486 231 H SER 53 H SER 53 9.614 -3.409 -3.944 232 HA SER 53 HA SER 53 10.260 -5.997 -3.094 233 1HB SER 53 1HB SER 53 11.646 -4.328 -5.226 234 2HB SER 53 2HB SER 53 11.671 -6.098 -5.097 235 HG SER 53 HG SER 53 10.081 -5.364 -6.582 236 H LYS 54 H LYS 54 11.867 -3.193 -2.027 237 HA LYS 54 HA LYS 54 14.152 -4.804 -0.978 238 1HB LYS 54 1HB LYS 54 15.658 -2.934 -1.342 239 2HB LYS 54 2HB LYS 54 14.987 -3.526 -2.854 240 1HG LYS 54 1HG LYS 54 13.477 -1.660 -3.046 241 2HG LYS 54 2HG LYS 54 13.849 -1.087 -1.414 242 1HD LYS 54 1HD LYS 54 15.909 -1.235 -3.652 243 2HD LYS 54 2HD LYS 54 14.919 0.194 -3.311 244 1HE LYS 54 1HE LYS 54 15.797 0.272 -0.992 245 2HE LYS 54 2HE LYS 54 16.813 -1.136 -1.319 246 1HZ LYS 54 3HZ LYS 54 17.024 1.473 -2.729 247 2HZ LYS 54 1HZ LYS 54 18.048 0.941 -1.579 248 3HZ LYS 54 2HZ LYS 54 17.971 0.172 -3.015 249 H GLN 55 H GLN 55 11.450 -3.526 0.120 250 HA GLN 55 HA GLN 55 12.645 -2.936 2.753 251 1HB GLN 55 1HB GLN 55 12.601 -0.741 1.441 252 2HB GLN 55 2HB GLN 55 10.840 -0.858 1.455 253 1HG GLN 55 1HG GLN 55 10.999 -0.983 4.021 254 2HG GLN 55 2HG GLN 55 12.719 -0.631 3.852 255 1HE2 GLN 55 1HE2 GLN 55 9.441 0.624 3.494 256 2HE2 GLN 55 2HE2 GLN 55 9.895 2.314 3.353 257 H CYS 56 H CYS 56 9.519 -2.866 0.965 258 HA CYS 56 HA CYS 56 8.093 -3.608 3.467 259 1HB CYS 56 1HB CYS 56 7.112 -2.208 0.947 260 2HB CYS 56 2HB CYS 56 6.169 -2.513 2.407 261 H ARG 57 H ARG 57 9.042 -5.071 0.621 262 HA ARG 57 HA ARG 57 7.312 -7.417 1.044 263 1HB ARG 57 1HB ARG 57 6.437 -5.585 -0.747 264 2HB ARG 57 2HB ARG 57 7.621 -6.349 -1.782 265 1HG ARG 57 1HG ARG 57 5.319 -7.213 -2.076 266 2HG ARG 57 2HG ARG 57 6.439 -8.490 -1.622 267 1HD ARG 57 1HD ARG 57 4.185 -8.585 -0.473 268 2HD ARG 57 2HD ARG 57 5.570 -8.620 0.599 269 HE ARG 57 HE ARG 57 5.121 -6.428 1.362 270 1HH1 ARG 57 2HH1 ARG 57 2.722 -7.237 -1.092 271 2HH1 ARG 57 1HH1 ARG 57 1.753 -5.836 -0.646 272 1HH2 ARG 57 2HH2 ARG 57 3.795 -4.741 1.817 273 2HH2 ARG 57 1HH2 ARG 57 2.316 -4.524 0.889 274 H SER 58 H SER 58 10.296 -6.500 1.040 275 HA SER 58 HA SER 58 11.759 -8.133 -0.815 276 1HB SER 58 1HB SER 58 13.607 -7.774 0.924 277 2HB SER 58 2HB SER 58 12.944 -6.358 0.100 278 HG SER 58 HG SER 58 13.165 -6.217 2.493 No H/Q in entry = 278
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