NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5429 | 1hf9 | 4906 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -32.748 -9.672 4.817 2 H2 ALA 1 H2 ALA 1 -32.038 -9.043 6.247 3 H3 ALA 1 H3 ALA 1 -32.472 -7.985 4.971 4 HA ALA 1 HA ALA 1 -30.153 -8.297 4.970 5 1HB ALA 1 1HB ALA 1 -29.172 -10.512 4.655 6 2HB ALA 1 2HB ALA 1 -30.777 -11.238 4.742 7 3HB ALA 1 3HB ALA 1 -30.098 -10.428 6.154 8 H LEU 2 H LEU 2 -31.004 -7.057 3.143 9 HA LEU 2 HA LEU 2 -31.028 -8.630 0.651 10 1HB LEU 2 1HB LEU 2 -33.027 -7.032 1.558 11 2HB LEU 2 2HB LEU 2 -32.114 -5.889 0.591 12 HG LEU 2 HG LEU 2 -32.266 -7.849 -1.203 13 1HD1 LEU 2 1HD1 LEU 2 -33.724 -8.998 0.774 14 2HD1 LEU 2 2HD1 LEU 2 -34.987 -8.208 -0.169 15 3HD1 LEU 2 3HD1 LEU 2 -33.901 -9.362 -0.943 16 1HD2 LEU 2 1HD2 LEU 2 -33.983 -5.550 -0.536 17 2HD2 LEU 2 2HD2 LEU 2 -33.119 -5.931 -2.026 18 3HD2 LEU 2 3HD2 LEU 2 -34.662 -6.711 -1.677 19 H LYS 3 H LYS 3 -30.193 -5.413 1.940 20 HA LYS 3 HA LYS 3 -27.915 -5.370 0.071 21 1HB LYS 3 1HB LYS 3 -30.051 -3.432 0.475 22 2HB LYS 3 2HB LYS 3 -28.458 -2.713 0.675 23 1HG LYS 3 1HG LYS 3 -28.257 -2.580 -1.521 24 2HG LYS 3 2HG LYS 3 -28.358 -4.338 -1.633 25 1HD LYS 3 1HD LYS 3 -30.046 -3.176 -3.023 26 2HD LYS 3 2HD LYS 3 -30.761 -4.235 -1.807 27 1HE LYS 3 1HE LYS 3 -31.735 -2.528 -0.720 28 2HE LYS 3 2HE LYS 3 -30.329 -1.481 -0.906 29 1HZ LYS 3 1HZ LYS 3 -32.282 -2.056 -3.067 30 2HZ LYS 3 2HZ LYS 3 -32.324 -0.678 -2.087 31 3HZ LYS 3 3HZ LYS 3 -31.010 -0.942 -3.121 32 H LYS 4 H LYS 4 -28.161 -6.251 2.907 33 HA LYS 4 HA LYS 4 -26.690 -4.245 4.398 34 1HB LYS 4 1HB LYS 4 -26.879 -5.744 6.276 35 2HB LYS 4 2HB LYS 4 -28.440 -5.648 5.473 36 1HG LYS 4 1HG LYS 4 -28.351 -7.887 5.726 37 2HG LYS 4 2HG LYS 4 -27.456 -7.781 4.209 38 1HD LYS 4 1HD LYS 4 -25.355 -7.868 5.384 39 2HD LYS 4 2HD LYS 4 -26.181 -7.795 6.942 40 1HE LYS 4 1HE LYS 4 -27.380 -9.943 6.122 41 2HE LYS 4 2HE LYS 4 -26.047 -10.046 4.973 42 1HZ LYS 4 1HZ LYS 4 -25.104 -9.534 7.607 43 2HZ LYS 4 2HZ LYS 4 -26.051 -10.935 7.571 44 3HZ LYS 4 3HZ LYS 4 -24.706 -10.796 6.554 45 H HIS 5 H HIS 5 -26.055 -7.108 2.560 46 HA HIS 5 HA HIS 5 -23.566 -7.831 3.651 47 1HB HIS 5 1HB HIS 5 -23.194 -8.859 1.339 48 2HB HIS 5 2HB HIS 5 -24.598 -9.419 2.241 49 HD1 HIS 5 HD1 HIS 5 -26.520 -9.710 0.732 50 HD2 HIS 5 HD2 HIS 5 -24.172 -6.470 -0.388 51 HE1 HIS 5 HE1 HIS 5 -27.653 -8.724 -1.285 52 HE2 HIS 5 HE2 HIS 5 -26.215 -6.763 -1.946 53 H HIS 6 H HIS 6 -24.503 -5.324 1.431 54 HA HIS 6 HA HIS 6 -22.027 -4.792 0.234 55 1HB HIS 6 1HB HIS 6 -24.613 -3.548 0.369 56 2HB HIS 6 2HB HIS 6 -23.366 -2.324 0.579 57 HD1 HIS 6 HD1 HIS 6 -22.585 -5.235 -1.594 58 HD2 HIS 6 HD2 HIS 6 -23.950 -1.332 -2.007 59 HE1 HIS 6 HE1 HIS 6 -22.388 -4.710 -4.045 60 HE2 HIS 6 HE2 HIS 6 -23.220 -2.342 -4.273 61 H GLU 7 H GLU 7 -23.406 -3.728 3.298 62 HA GLU 7 HA GLU 7 -21.431 -1.816 3.930 63 1HB GLU 7 1HB GLU 7 -23.552 -3.270 5.405 64 2HB GLU 7 2HB GLU 7 -22.238 -2.616 6.373 65 1HG GLU 7 1HG GLU 7 -22.667 -0.406 5.233 66 2HG GLU 7 2HG GLU 7 -24.142 -1.129 4.593 67 H ASN 8 H ASN 8 -21.496 -5.272 4.089 68 HA ASN 8 HA ASN 8 -19.362 -5.582 5.958 69 1HB ASN 8 1HB ASN 8 -21.191 -7.280 4.674 70 2HB ASN 8 2HB ASN 8 -19.604 -7.801 4.115 71 2HD2 ASN 8 2HD2 ASN 8 -20.610 -9.688 5.411 72 1HD2 ASN 8 1HD2 ASN 8 -20.114 -9.786 7.063 73 H GLU 9 H GLU 9 -19.537 -6.007 2.418 74 HA GLU 9 HA GLU 9 -16.767 -6.353 2.045 75 1HB GLU 9 1HB GLU 9 -19.113 -6.140 0.399 76 2HB GLU 9 2HB GLU 9 -17.831 -5.147 -0.282 77 1HG GLU 9 1HG GLU 9 -16.362 -7.251 0.056 78 2HG GLU 9 2HG GLU 9 -17.904 -8.099 0.156 79 H ILE 10 H ILE 10 -18.706 -3.549 2.562 80 HA ILE 10 HA ILE 10 -16.891 -1.653 1.450 81 HB ILE 10 HB ILE 10 -19.522 -1.624 2.581 82 1HG1 ILE 10 1HG1 ILE 10 -18.631 0.899 1.476 83 2HG1 ILE 10 2HG1 ILE 10 -18.094 -0.463 0.498 84 1HG2 ILE 10 1HG2 ILE 10 -18.304 -0.639 4.591 85 2HG2 ILE 10 2HG2 ILE 10 -17.985 0.758 3.563 86 3HG2 ILE 10 3HG2 ILE 10 -19.645 0.288 3.922 87 1HD1 ILE 10 1HD1 ILE 10 -20.867 -0.711 1.304 88 2HD1 ILE 10 2HD1 ILE 10 -20.553 0.761 0.385 89 3HD1 ILE 10 3HD1 ILE 10 -20.136 -0.810 -0.298 90 H SER 11 H SER 11 -17.565 -2.825 4.729 91 HA SER 11 HA SER 11 -15.734 -1.153 6.063 92 1HB SER 11 1HB SER 11 -16.172 -2.425 7.969 93 2HB SER 11 2HB SER 11 -17.630 -2.678 7.008 94 HG SER 11 HG SER 11 -17.160 -4.711 7.254 95 H HIS 12 H HIS 12 -15.360 -4.188 4.367 96 HA HIS 12 HA HIS 12 -12.764 -4.763 5.390 97 1HB HIS 12 1HB HIS 12 -13.341 -6.747 4.528 98 2HB HIS 12 2HB HIS 12 -14.692 -6.025 3.673 99 HD1 HIS 12 HD1 HIS 12 -10.960 -6.573 3.148 100 HD2 HIS 12 HD2 HIS 12 -14.489 -6.212 0.987 101 HE1 HIS 12 HE1 HIS 12 -10.333 -7.039 0.757 102 HE2 HIS 12 HE2 HIS 12 -12.486 -6.819 -0.535 103 H HIS 13 H HIS 13 -13.961 -3.210 2.423 104 HA HIS 13 HA HIS 13 -11.437 -2.834 1.224 105 1HB HIS 13 1HB HIS 13 -13.818 -1.002 0.912 106 2HB HIS 13 2HB HIS 13 -12.500 -1.245 -0.226 107 HD1 HIS 13 HD1 HIS 13 -12.651 -4.450 0.019 108 HD2 HIS 13 HD2 HIS 13 -15.749 -1.835 -0.882 109 HE1 HIS 13 HE1 HIS 13 -14.344 -5.824 -1.237 110 HE2 HIS 13 HE2 HIS 13 -16.214 -4.221 -1.773 111 H ALA 14 H ALA 14 -13.114 -1.165 3.759 112 HA ALA 14 HA ALA 14 -11.660 1.269 3.663 113 1HB ALA 14 1HB ALA 14 -12.471 1.490 6.059 114 2HB ALA 14 2HB ALA 14 -13.715 1.314 4.821 115 3HB ALA 14 3HB ALA 14 -13.269 -0.066 5.825 116 H LYS 15 H LYS 15 -11.389 -1.561 5.814 117 HA LYS 15 HA LYS 15 -8.997 -0.676 7.049 118 1HB LYS 15 1HB LYS 15 -10.318 -3.380 6.856 119 2HB LYS 15 2HB LYS 15 -8.823 -3.121 7.746 120 1HG LYS 15 1HG LYS 15 -10.481 -1.146 8.711 121 2HG LYS 15 2HG LYS 15 -11.563 -2.522 8.490 122 1HD LYS 15 1HD LYS 15 -9.420 -3.727 9.637 123 2HD LYS 15 2HD LYS 15 -9.356 -2.134 10.394 124 1HE LYS 15 1HE LYS 15 -11.737 -3.985 10.344 125 2HE LYS 15 2HE LYS 15 -10.683 -3.688 11.726 126 1HZ LYS 15 1HZ LYS 15 -11.499 -1.202 10.941 127 2HZ LYS 15 2HZ LYS 15 -12.889 -2.150 10.766 128 3HZ LYS 15 3HZ LYS 15 -12.095 -2.077 12.259 129 H GLU 16 H GLU 16 -9.608 -1.969 3.964 130 HA GLU 16 HA GLU 16 -7.024 -3.218 3.651 131 1HB GLU 16 1HB GLU 16 -9.513 -3.046 2.115 132 2HB GLU 16 2HB GLU 16 -8.067 -2.970 1.118 133 1HG GLU 16 1HG GLU 16 -8.562 -5.119 3.159 134 2HG GLU 16 2HG GLU 16 -9.021 -5.256 1.462 135 H ILE 17 H ILE 17 -8.597 -0.188 2.728 136 HA ILE 17 HA ILE 17 -6.366 0.671 1.116 137 HB ILE 17 HB ILE 17 -8.564 1.500 0.560 138 1HG1 ILE 17 1HG1 ILE 17 -6.451 2.964 0.348 139 2HG1 ILE 17 2HG1 ILE 17 -8.017 3.746 0.174 140 1HG2 ILE 17 1HG2 ILE 17 -8.660 2.142 3.428 141 2HG2 ILE 17 2HG2 ILE 17 -9.378 3.343 2.354 142 3HG2 ILE 17 3HG2 ILE 17 -9.950 1.675 2.320 143 1HD1 ILE 17 1HD1 ILE 17 -7.239 3.828 2.916 144 2HD1 ILE 17 2HD1 ILE 17 -5.916 4.421 1.912 145 3HD1 ILE 17 3HD1 ILE 17 -7.513 5.160 1.793 146 H GLU 18 H GLU 18 -7.415 1.024 4.426 147 HA GLU 18 HA GLU 18 -5.474 3.064 5.050 148 1HB GLU 18 1HB GLU 18 -7.709 1.765 6.395 149 2HB GLU 18 2HB GLU 18 -6.317 1.950 7.453 150 1HG GLU 18 1HG GLU 18 -6.368 4.402 6.422 151 2HG GLU 18 2HG GLU 18 -8.075 3.997 6.248 152 H ARG 19 H ARG 19 -5.821 -0.422 5.469 153 HA ARG 19 HA ARG 19 -3.411 -0.713 6.987 154 1HB ARG 19 1HB ARG 19 -5.329 -2.316 7.079 155 2HB ARG 19 2HB ARG 19 -4.928 -2.826 5.445 156 1HG ARG 19 1HG ARG 19 -2.721 -3.560 6.231 157 2HG ARG 19 2HG ARG 19 -3.165 -3.088 7.872 158 1HD ARG 19 1HD ARG 19 -3.823 -5.230 8.055 159 2HD ARG 19 2HD ARG 19 -5.264 -4.664 7.212 160 HE ARG 19 HE ARG 19 -3.517 -5.352 5.224 161 1HH1 ARG 19 1HH1 ARG 19 -4.918 -6.981 7.964 162 2HH1 ARG 19 2HH1 ARG 19 -4.891 -8.542 7.214 163 1HH2 ARG 19 1HH2 ARG 19 -3.477 -7.403 4.226 164 2HH2 ARG 19 2HH2 ARG 19 -4.071 -8.782 5.089 165 H LEU 20 H LEU 20 -4.258 -0.657 3.622 166 HA LEU 20 HA LEU 20 -1.845 -1.860 2.669 167 1HB LEU 20 1HB LEU 20 -4.117 -0.366 1.428 168 2HB LEU 20 2HB LEU 20 -2.643 -0.589 0.508 169 HG LEU 20 HG LEU 20 -4.068 -2.926 1.745 170 1HD1 LEU 20 1HD1 LEU 20 -5.204 -1.252 -0.168 171 2HD1 LEU 20 2HD1 LEU 20 -4.563 -2.620 -1.078 172 3HD1 LEU 20 3HD1 LEU 20 -5.701 -2.893 0.241 173 1HD2 LEU 20 1HD2 LEU 20 -1.813 -2.489 -0.086 174 2HD2 LEU 20 2HD2 LEU 20 -2.153 -3.836 1.001 175 3HD2 LEU 20 3HD2 LEU 20 -2.941 -3.754 -0.575 176 H GLN 21 H GLN 21 -2.999 1.438 3.173 177 HA GLN 21 HA GLN 21 -0.812 2.776 2.013 178 1HB GLN 21 1HB GLN 21 -3.084 3.727 2.745 179 2HB GLN 21 2HB GLN 21 -2.386 3.829 4.355 180 1HG GLN 21 1HG GLN 21 -1.211 5.651 3.852 181 2HG GLN 21 2HG GLN 21 -0.689 4.997 2.300 182 2HE2 GLN 21 2HE2 GLN 21 -3.872 5.794 3.646 183 1HE2 GLN 21 1HE2 GLN 21 -4.339 6.856 2.365 184 H LYS 22 H LYS 22 -1.419 1.661 5.322 185 HA LYS 22 HA LYS 22 0.907 2.772 6.471 186 1HB LYS 22 1HB LYS 22 -1.075 1.916 7.737 187 2HB LYS 22 2HB LYS 22 -0.557 0.280 7.354 188 1HG LYS 22 1HG LYS 22 1.708 1.233 8.436 189 2HG LYS 22 2HG LYS 22 0.519 2.202 9.308 190 1HD LYS 22 1HD LYS 22 1.038 0.142 10.516 191 2HD LYS 22 2HD LYS 22 -0.647 0.166 9.992 192 1HE LYS 22 1HE LYS 22 -0.358 -1.541 8.529 193 2HE LYS 22 2HE LYS 22 1.293 -1.065 8.135 194 1HZ LYS 22 1HZ LYS 22 0.833 -2.067 10.830 195 2HZ LYS 22 2HZ LYS 22 0.723 -3.200 9.580 196 3HZ LYS 22 3HZ LYS 22 2.147 -2.313 9.793 197 H GLU 23 H GLU 23 0.263 -0.304 4.882 198 HA GLU 23 HA GLU 23 2.700 -1.566 5.521 199 1HB GLU 23 1HB GLU 23 0.517 -2.543 4.506 200 2HB GLU 23 2HB GLU 23 1.222 -2.087 2.961 201 1HG GLU 23 1HG GLU 23 2.969 -3.601 3.167 202 2HG GLU 23 2HG GLU 23 2.763 -3.748 4.912 203 H ILE 24 H ILE 24 1.753 0.546 2.852 204 HA ILE 24 HA ILE 24 4.099 0.182 1.323 205 HB ILE 24 HB ILE 24 3.328 1.774 -0.120 206 1HG1 ILE 24 1HG1 ILE 24 1.763 3.704 0.756 207 2HG1 ILE 24 2HG1 ILE 24 2.518 3.337 2.304 208 1HG2 ILE 24 1HG2 ILE 24 1.424 0.161 0.821 209 2HG2 ILE 24 2HG2 ILE 24 0.677 1.718 1.170 210 3HG2 ILE 24 3HG2 ILE 24 1.151 1.319 -0.478 211 1HD1 ILE 24 1HD1 ILE 24 4.570 3.514 0.364 212 2HD1 ILE 24 2HD1 ILE 24 3.513 4.915 0.175 213 3HD1 ILE 24 3HD1 ILE 24 4.255 4.575 1.739 214 H GLU 25 H GLU 25 3.243 2.444 3.884 215 HA GLU 25 HA GLU 25 5.474 4.122 3.746 216 1HB GLU 25 1HB GLU 25 3.296 4.251 5.198 217 2HB GLU 25 2HB GLU 25 4.258 3.380 6.383 218 1HG GLU 25 1HG GLU 25 5.226 5.256 7.025 219 2HG GLU 25 2HG GLU 25 5.789 5.564 5.383 220 H ARG 26 H ARG 26 4.967 1.098 5.528 221 HA ARG 26 HA ARG 26 7.366 1.019 6.933 222 1HB ARG 26 1HB ARG 26 5.219 -0.647 6.689 223 2HB ARG 26 2HB ARG 26 6.459 -1.567 5.848 224 1HG ARG 26 1HG ARG 26 6.923 -2.353 7.892 225 2HG ARG 26 2HG ARG 26 7.804 -0.835 8.077 226 1HD ARG 26 1HD ARG 26 5.662 0.157 8.971 227 2HD ARG 26 2HD ARG 26 5.017 -1.483 9.013 228 HE ARG 26 HE ARG 26 6.813 -0.311 10.880 229 1HH1 ARG 26 1HH1 ARG 26 5.998 -3.313 9.315 230 2HH1 ARG 26 2HH1 ARG 26 6.611 -4.300 10.599 231 1HH2 ARG 26 1HH2 ARG 26 7.624 -1.600 12.578 232 2HH2 ARG 26 2HH2 ARG 26 7.535 -3.326 12.455 233 H HIS 27 H HIS 27 6.610 -0.270 3.707 234 HA HIS 27 HA HIS 27 9.206 -1.235 3.160 235 1HB HIS 27 1HB HIS 27 6.717 -0.794 1.653 236 2HB HIS 27 2HB HIS 27 8.183 -0.679 0.684 237 HD1 HIS 27 HD1 HIS 27 9.736 -2.849 0.679 238 HD2 HIS 27 HD2 HIS 27 5.938 -3.343 2.293 239 HE1 HIS 27 HE1 HIS 27 9.355 -5.334 0.755 240 HE2 HIS 27 HE2 HIS 27 7.051 -5.611 1.735 241 H LYS 28 H LYS 28 7.803 1.921 3.052 242 HA LYS 28 HA LYS 28 9.759 3.073 1.300 243 1HB LYS 28 1HB LYS 28 7.392 3.930 1.703 244 2HB LYS 28 2HB LYS 28 7.989 4.563 3.231 245 1HG LYS 28 1HG LYS 28 9.824 5.508 1.418 246 2HG LYS 28 2HG LYS 28 8.300 5.594 0.532 247 1HD LYS 28 1HD LYS 28 8.484 7.661 1.636 248 2HD LYS 28 2HD LYS 28 7.347 6.725 2.607 249 1HE LYS 28 1HE LYS 28 8.754 6.595 4.369 250 2HE LYS 28 2HE LYS 28 10.185 6.458 3.349 251 1HZ LYS 28 1HZ LYS 28 10.019 8.848 2.907 252 2HZ LYS 28 2HZ LYS 28 8.698 8.955 3.958 253 3HZ LYS 28 3HZ LYS 28 10.220 8.524 4.556 254 H GLN 29 H GLN 29 9.493 2.459 4.695 255 HA GLN 29 HA GLN 29 11.532 4.328 5.481 256 1HB GLN 29 1HB GLN 29 9.586 3.368 6.906 257 2HB GLN 29 2HB GLN 29 10.646 1.984 7.136 258 1HG GLN 29 1HG GLN 29 12.242 3.251 8.285 259 2HG GLN 29 2HG GLN 29 11.554 4.777 7.731 260 2HE2 GLN 29 2HE2 GLN 29 11.633 5.314 10.020 261 1HE2 GLN 29 1HE2 GLN 29 10.327 4.827 11.041 262 H SER 30 H SER 30 11.349 0.912 4.693 263 HA SER 30 HA SER 30 14.012 0.305 5.548 264 1HB SER 30 1HB SER 30 13.617 -1.809 4.176 265 2HB SER 30 2HB SER 30 12.491 -1.522 5.502 266 HG SER 30 HG SER 30 11.022 -1.712 4.017 267 H ILE 31 H ILE 31 12.503 1.241 2.514 268 HA ILE 31 HA ILE 31 14.863 0.804 0.938 269 HB ILE 31 HB ILE 31 12.707 0.643 -0.128 270 1HG1 ILE 31 1HG1 ILE 31 13.008 2.419 -1.955 271 2HG1 ILE 31 2HG1 ILE 31 14.407 2.962 -1.034 272 1HG2 ILE 31 1HG2 ILE 31 12.024 2.807 1.456 273 2HG2 ILE 31 2HG2 ILE 31 11.999 3.449 -0.186 274 3HG2 ILE 31 3HG2 ILE 31 11.017 2.043 0.227 275 1HD1 ILE 31 1HD1 ILE 31 15.286 0.616 -1.202 276 2HD1 ILE 31 2HD1 ILE 31 13.980 0.299 -2.343 277 3HD1 ILE 31 3HD1 ILE 31 15.201 1.514 -2.718 278 H LYS 32 H LYS 32 13.489 3.444 2.748 279 HA LYS 32 HA LYS 32 15.169 5.457 1.557 280 1HB LYS 32 1HB LYS 32 12.925 5.970 2.495 281 2HB LYS 32 2HB LYS 32 13.535 5.584 4.098 282 1HG LYS 32 1HG LYS 32 13.743 7.852 4.113 283 2HG LYS 32 2HG LYS 32 15.335 7.398 3.502 284 1HD LYS 32 1HD LYS 32 14.796 8.969 1.945 285 2HD LYS 32 2HD LYS 32 14.059 7.562 1.176 286 1HE LYS 32 1HE LYS 32 12.064 8.430 2.833 287 2HE LYS 32 2HE LYS 32 12.816 9.944 2.335 288 1HZ LYS 32 1HZ LYS 32 11.903 7.834 0.456 289 2HZ LYS 32 2HZ LYS 32 11.001 9.209 0.858 290 3HZ LYS 32 3HZ LYS 32 12.478 9.372 0.050 291 H LYS 33 H LYS 33 15.265 3.355 4.345 292 HA LYS 33 HA LYS 33 17.486 4.714 5.577 293 1HB LYS 33 1HB LYS 33 15.686 3.322 6.764 294 2HB LYS 33 2HB LYS 33 16.566 1.912 6.192 295 1HG LYS 33 1HG LYS 33 17.736 2.060 8.074 296 2HG LYS 33 2HG LYS 33 18.537 3.450 7.338 297 1HD LYS 33 1HD LYS 33 15.945 3.812 8.784 298 2HD LYS 33 2HD LYS 33 17.449 3.674 9.697 299 1HE LYS 33 1HE LYS 33 17.715 5.502 7.470 300 2HE LYS 33 2HE LYS 33 16.396 5.975 8.541 301 1HZ LYS 33 1HZ LYS 33 18.010 5.751 10.410 302 2HZ LYS 33 2HZ LYS 33 19.241 5.556 9.267 303 3HZ LYS 33 3HZ LYS 33 18.365 7.001 9.327 304 H LEU 34 H LEU 34 17.002 1.971 3.452 305 HA LEU 34 HA LEU 34 19.722 1.059 3.628 306 1HB LEU 34 1HB LEU 34 17.257 0.220 2.306 307 2HB LEU 34 2HB LEU 34 18.679 -0.008 1.306 308 HG LEU 34 HG LEU 34 18.824 -0.988 4.106 309 1HD1 LEU 34 1HD1 LEU 34 16.597 -1.641 2.626 310 2HD1 LEU 34 2HD1 LEU 34 17.705 -2.974 2.304 311 3HD1 LEU 34 3HD1 LEU 34 17.266 -2.574 3.965 312 1HD2 LEU 34 1HD2 LEU 34 20.588 -1.085 2.177 313 2HD2 LEU 34 2HD2 LEU 34 20.368 -2.463 3.256 314 3HD2 LEU 34 3HD2 LEU 34 19.636 -2.474 1.651 315 H LYS 35 H LYS 35 17.910 3.268 1.644 316 HA LYS 35 HA LYS 35 19.901 3.433 -0.429 317 1HB LYS 35 1HB LYS 35 17.384 3.883 -0.664 318 2HB LYS 35 2HB LYS 35 17.716 5.442 0.078 319 1HG LYS 35 1HG LYS 35 19.588 5.089 -2.009 320 2HG LYS 35 2HG LYS 35 17.996 4.661 -2.640 321 1HD LYS 35 1HD LYS 35 18.665 7.218 -1.185 322 2HD LYS 35 2HD LYS 35 18.517 7.051 -2.936 323 1HE LYS 35 1HE LYS 35 16.164 6.107 -2.392 324 2HE LYS 35 2HE LYS 35 16.394 6.895 -0.832 325 1HZ LYS 35 1HZ LYS 35 16.626 8.284 -3.444 326 2HZ LYS 35 2HZ LYS 35 15.226 8.279 -2.495 327 3HZ LYS 35 3HZ LYS 35 16.643 8.994 -1.910 328 H GLN 36 H GLN 36 19.080 5.190 2.491 329 HA GLN 36 HA GLN 36 20.858 7.380 1.962 330 1HB GLN 36 1HB GLN 36 18.912 7.729 3.370 331 2HB GLN 36 2HB GLN 36 19.465 6.498 4.495 332 1HG GLN 36 1HG GLN 36 21.547 8.386 4.229 333 2HG GLN 36 2HG GLN 36 20.044 9.280 4.458 334 2HE2 GLN 36 2HE2 GLN 36 20.980 9.928 6.489 335 1HE2 GLN 36 1HE2 GLN 36 20.873 8.877 7.856 336 H SER 37 H SER 37 21.053 4.299 3.589 337 HA SER 37 HA SER 37 23.524 4.851 4.931 338 1HB SER 37 1HB SER 37 21.652 3.020 5.394 339 2HB SER 37 2HB SER 37 22.680 2.049 4.341 340 HG SER 37 HG SER 37 23.572 1.708 6.267 341 H GLU 38 H GLU 38 22.596 3.714 1.795 342 HA GLU 38 HA GLU 38 25.100 2.508 1.123 343 1HB GLU 38 1HB GLU 38 22.618 2.405 0.035 344 2HB GLU 38 2HB GLU 38 23.398 3.535 -1.062 345 1HG GLU 38 1HG GLU 38 25.187 1.887 -1.445 346 2HG GLU 38 2HG GLU 38 24.331 0.751 -0.404 347 H ASP 39 H ASP 39 23.813 5.724 1.059 348 HA ASP 39 HA ASP 39 25.647 6.820 -0.822 349 1HB ASP 39 1HB ASP 39 23.379 7.766 0.089 350 2HB ASP 39 2HB ASP 39 24.393 8.462 1.349 351 H ASP 40 H ASP 40 25.786 6.101 2.565 352 HA ASP 40 HA ASP 40 28.294 7.598 2.842 353 1HB ASP 40 1HB ASP 40 26.617 8.036 4.566 354 2HB ASP 40 2HB ASP 40 26.535 6.319 4.946 355 H ASP 41 H ASP 41 30.071 6.541 4.022 356 HA ASP 41 HA ASP 41 30.153 3.704 4.271 357 1HB ASP 41 1HB ASP 41 31.991 3.426 2.523 358 2HB ASP 41 2HB ASP 41 30.350 3.609 1.913 359 H1 ALA 1 H1 ALA 1 32.747 -9.665 -4.825 360 H2 ALA 1 H2 ALA 1 32.036 -9.034 -6.254 361 H3 ALA 1 H3 ALA 1 32.470 -7.978 -4.975 362 HA ALA 1 HA ALA 1 30.151 -8.291 -4.975 363 1HB ALA 1 1HB ALA 1 30.098 -10.421 -6.163 364 2HB ALA 1 2HB ALA 1 29.172 -10.507 -4.664 365 3HB ALA 1 3HB ALA 1 30.777 -11.233 -4.752 366 H LEU 2 H LEU 2 31.000 -7.054 -3.146 367 HA LEU 2 HA LEU 2 31.025 -8.632 -0.657 368 1HB LEU 2 1HB LEU 2 33.024 -7.034 -1.561 369 2HB LEU 2 2HB LEU 2 32.112 -5.892 -0.592 370 HG LEU 2 HG LEU 2 32.263 -7.855 1.198 371 1HD1 LEU 2 1HD1 LEU 2 33.722 -9.000 -0.781 372 2HD1 LEU 2 2HD1 LEU 2 34.985 -8.212 0.165 373 3HD1 LEU 2 3HD1 LEU 2 33.898 -9.368 0.935 374 1HD2 LEU 2 1HD2 LEU 2 33.980 -5.555 0.537 375 2HD2 LEU 2 2HD2 LEU 2 33.116 -5.939 2.025 376 3HD2 LEU 2 3HD2 LEU 2 34.659 -6.719 1.675 377 H LYS 3 H LYS 3 30.190 -5.413 -1.940 378 HA LYS 3 HA LYS 3 27.913 -5.373 -0.070 379 1HB LYS 3 1HB LYS 3 30.049 -3.434 -0.470 380 2HB LYS 3 2HB LYS 3 28.457 -2.715 -0.668 381 1HG LYS 3 1HG LYS 3 28.255 -2.586 1.527 382 2HG LYS 3 2HG LYS 3 28.356 -4.344 1.636 383 1HD LYS 3 1HD LYS 3 30.044 -3.183 3.029 384 2HD LYS 3 2HD LYS 3 30.759 -4.242 1.811 385 1HE LYS 3 1HE LYS 3 31.735 -2.535 0.726 386 2HE LYS 3 2HE LYS 3 30.329 -1.487 0.913 387 1HZ LYS 3 1HZ LYS 3 32.281 -2.065 3.074 388 2HZ LYS 3 2HZ LYS 3 32.323 -0.686 2.095 389 3HZ LYS 3 3HZ LYS 3 31.009 -0.951 3.129 390 H LYS 4 H LYS 4 28.160 -6.246 -2.909 391 HA LYS 4 HA LYS 4 26.689 -4.239 -4.396 392 1HB LYS 4 1HB LYS 4 26.878 -5.735 -6.276 393 2HB LYS 4 2HB LYS 4 28.439 -5.641 -5.472 394 1HG LYS 4 1HG LYS 4 28.350 -7.879 -5.726 395 2HG LYS 4 2HG LYS 4 27.451 -7.775 -4.210 396 1HD LYS 4 1HD LYS 4 25.354 -7.863 -5.390 397 2HD LYS 4 2HD LYS 4 26.183 -7.785 -6.947 398 1HE LYS 4 1HE LYS 4 27.382 -9.934 -6.131 399 2HE LYS 4 2HE LYS 4 26.048 -10.040 -4.982 400 1HZ LYS 4 1HZ LYS 4 25.105 -9.525 -7.616 401 2HZ LYS 4 2HZ LYS 4 26.053 -10.925 -7.581 402 3HZ LYS 4 3HZ LYS 4 24.707 -10.788 -6.564 403 H HIS 5 H HIS 5 26.053 -7.106 -2.564 404 HA HIS 5 HA HIS 5 23.564 -7.826 -3.657 405 1HB HIS 5 1HB HIS 5 23.191 -8.857 -1.346 406 2HB HIS 5 2HB HIS 5 24.594 -9.416 -2.250 407 HD1 HIS 5 HD1 HIS 5 26.517 -9.712 -0.741 408 HD2 HIS 5 HD2 HIS 5 24.171 -6.471 0.384 409 HE1 HIS 5 HE1 HIS 5 27.651 -8.730 1.278 410 HE2 HIS 5 HE2 HIS 5 26.215 -6.768 1.942 411 H HIS 6 H HIS 6 24.501 -5.319 -1.437 412 HA HIS 6 HA HIS 6 22.024 -4.789 -0.237 413 1HB HIS 6 1HB HIS 6 24.610 -3.543 -0.373 414 2HB HIS 6 2HB HIS 6 23.360 -2.320 -0.578 415 HD1 HIS 6 HD1 HIS 6 22.584 -5.236 1.588 416 HD2 HIS 6 HD2 HIS 6 23.950 -1.334 2.009 417 HE1 HIS 6 HE1 HIS 6 22.391 -4.717 4.042 418 HE2 HIS 6 HE2 HIS 6 23.224 -2.350 4.274 419 H GLU 7 H GLU 7 23.402 -3.720 -3.300 420 HA GLU 7 HA GLU 7 21.424 -1.810 -3.929 421 1HB GLU 7 1HB GLU 7 23.547 -3.260 -5.407 422 2HB GLU 7 2HB GLU 7 22.234 -2.601 -6.373 423 1HG GLU 7 1HG GLU 7 22.665 -0.395 -5.225 424 2HG GLU 7 2HG GLU 7 24.138 -1.122 -4.585 425 H ASN 8 H ASN 8 21.493 -5.265 -4.088 426 HA ASN 8 HA ASN 8 19.362 -5.577 -5.962 427 1HB ASN 8 1HB ASN 8 21.194 -7.273 -4.681 428 2HB ASN 8 2HB ASN 8 19.609 -7.797 -4.121 429 2HD2 ASN 8 2HD2 ASN 8 20.613 -9.683 -5.417 430 1HD2 ASN 8 1HD2 ASN 8 20.117 -9.780 -7.069 431 H GLU 9 H GLU 9 19.536 -6.004 -2.423 432 HA GLU 9 HA GLU 9 16.768 -6.355 -2.050 433 1HB GLU 9 1HB GLU 9 19.113 -6.141 -0.404 434 2HB GLU 9 2HB GLU 9 17.831 -5.150 0.278 435 1HG GLU 9 1HG GLU 9 16.364 -7.256 -0.062 436 2HG GLU 9 2HG GLU 9 17.908 -8.101 -0.161 437 H ILE 10 H ILE 10 18.703 -3.548 -2.563 438 HA ILE 10 HA ILE 10 16.882 -1.657 -1.450 439 HB ILE 10 HB ILE 10 19.516 -1.619 -2.575 440 1HG1 ILE 10 1HG1 ILE 10 18.615 0.896 -1.458 441 2HG1 ILE 10 2HG1 ILE 10 18.085 -0.475 -0.488 442 1HG2 ILE 10 1HG2 ILE 10 17.648 0.337 -3.864 443 2HG2 ILE 10 2HG2 ILE 10 19.339 0.740 -3.577 444 3HG2 ILE 10 3HG2 ILE 10 18.924 -0.638 -4.594 445 1HD1 ILE 10 1HD1 ILE 10 20.860 -0.696 -1.301 446 2HD1 ILE 10 2HD1 ILE 10 20.534 0.759 -0.360 447 3HD1 ILE 10 3HD1 ILE 10 20.131 -0.827 0.299 448 H SER 11 H SER 11 17.566 -2.825 -4.729 449 HA SER 11 HA SER 11 15.739 -1.151 -6.066 450 1HB SER 11 1HB SER 11 16.177 -2.425 -7.971 451 2HB SER 11 2HB SER 11 17.633 -2.678 -7.010 452 HG SER 11 HG SER 11 17.162 -4.711 -7.258 453 H HIS 12 H HIS 12 15.359 -4.187 -4.372 454 HA HIS 12 HA HIS 12 12.764 -4.758 -5.396 455 1HB HIS 12 1HB HIS 12 13.339 -6.743 -4.536 456 2HB HIS 12 2HB HIS 12 14.690 -6.024 -3.680 457 HD1 HIS 12 HD1 HIS 12 10.958 -6.569 -3.156 458 HD2 HIS 12 HD2 HIS 12 14.487 -6.215 -0.995 459 HE1 HIS 12 HE1 HIS 12 10.330 -7.038 -0.766 460 HE2 HIS 12 HE2 HIS 12 12.483 -6.822 0.527 461 H HIS 13 H HIS 13 13.959 -3.211 -2.426 462 HA HIS 13 HA HIS 13 11.435 -2.835 -1.227 463 1HB HIS 13 1HB HIS 13 13.817 -1.003 -0.913 464 2HB HIS 13 2HB HIS 13 12.499 -1.247 0.225 465 HD1 HIS 13 HD1 HIS 13 12.649 -4.452 -0.025 466 HD2 HIS 13 HD2 HIS 13 15.747 -1.839 0.881 467 HE1 HIS 13 HE1 HIS 13 14.342 -5.828 1.230 468 HE2 HIS 13 HE2 HIS 13 16.212 -4.227 1.768 469 H ALA 14 H ALA 14 13.114 -1.163 -3.760 470 HA ALA 14 HA ALA 14 11.660 1.272 -3.662 471 1HB ALA 14 1HB ALA 14 13.269 -0.062 -5.825 472 2HB ALA 14 2HB ALA 14 13.716 1.316 -4.820 473 3HB ALA 14 3HB ALA 14 12.472 1.494 -6.057 474 H LYS 15 H LYS 15 11.389 -1.556 -5.814 475 HA LYS 15 HA LYS 15 8.997 -0.670 -7.048 476 1HB LYS 15 1HB LYS 15 10.317 -3.375 -6.859 477 2HB LYS 15 2HB LYS 15 8.823 -3.113 -7.749 478 1HG LYS 15 1HG LYS 15 10.484 -1.137 -8.709 479 2HG LYS 15 2HG LYS 15 11.564 -2.516 -8.490 480 1HD LYS 15 1HD LYS 15 9.422 -3.715 -9.642 481 2HD LYS 15 2HD LYS 15 9.358 -2.121 -10.395 482 1HE LYS 15 1HE LYS 15 11.739 -3.972 -10.348 483 2HE LYS 15 2HE LYS 15 10.686 -3.672 -11.730 484 1HZ LYS 15 1HZ LYS 15 11.501 -1.187 -10.940 485 2HZ LYS 15 2HZ LYS 15 12.890 -2.135 -10.766 486 3HZ LYS 15 3HZ LYS 15 12.098 -2.060 -12.259 487 H GLU 16 H GLU 16 9.608 -1.963 -3.963 488 HA GLU 16 HA GLU 16 7.024 -3.215 -3.652 489 1HB GLU 16 1HB GLU 16 9.514 -3.048 -2.117 490 2HB GLU 16 2HB GLU 16 8.069 -2.973 -1.120 491 1HG GLU 16 1HG GLU 16 8.561 -5.118 -3.166 492 2HG GLU 16 2HG GLU 16 9.021 -5.259 -1.470 493 H ILE 17 H ILE 17 8.596 -0.185 -2.733 494 HA ILE 17 HA ILE 17 6.366 0.670 -1.114 495 HB ILE 17 HB ILE 17 8.565 1.497 -0.558 496 1HG1 ILE 17 1HG1 ILE 17 6.452 2.960 -0.340 497 2HG1 ILE 17 2HG1 ILE 17 8.018 3.742 -0.165 498 1HG2 ILE 17 1HG2 ILE 17 8.659 2.143 -3.424 499 2HG2 ILE 17 2HG2 ILE 17 9.373 3.346 -2.350 500 3HG2 ILE 17 3HG2 ILE 17 9.951 1.681 -2.316 501 1HD1 ILE 17 1HD1 ILE 17 7.237 3.832 -2.906 502 2HD1 ILE 17 2HD1 ILE 17 5.914 4.420 -1.900 503 3HD1 ILE 17 3HD1 ILE 17 7.509 5.161 -1.779 504 H GLU 18 H GLU 18 7.414 1.025 -4.423 505 HA GLU 18 HA GLU 18 5.472 3.067 -5.043 506 1HB GLU 18 1HB GLU 18 7.711 1.775 -6.389 507 2HB GLU 18 2HB GLU 18 6.319 1.961 -7.448 508 1HG GLU 18 1HG GLU 18 6.365 4.410 -6.411 509 2HG GLU 18 2HG GLU 18 8.073 4.008 -6.235 510 H ARG 19 H ARG 19 5.826 -0.419 -5.472 511 HA ARG 19 HA ARG 19 3.418 -0.708 -6.994 512 1HB ARG 19 1HB ARG 19 5.334 -2.313 -7.087 513 2HB ARG 19 2HB ARG 19 4.934 -2.822 -5.452 514 1HG ARG 19 1HG ARG 19 2.727 -3.557 -6.236 515 2HG ARG 19 2HG ARG 19 3.169 -3.084 -7.878 516 1HD ARG 19 1HD ARG 19 3.827 -5.225 -8.064 517 2HD ARG 19 2HD ARG 19 5.268 -4.661 -7.218 518 HE ARG 19 HE ARG 19 3.520 -5.350 -5.232 519 1HH1 ARG 19 1HH1 ARG 19 4.920 -6.977 -7.974 520 2HH1 ARG 19 2HH1 ARG 19 4.892 -8.539 -7.226 521 1HH2 ARG 19 1HH2 ARG 19 3.478 -7.402 -4.237 522 2HH2 ARG 19 2HH2 ARG 19 4.071 -8.781 -5.101 523 H LEU 20 H LEU 20 4.262 -0.675 -3.623 524 HA LEU 20 HA LEU 20 1.845 -1.873 -2.682 525 1HB LEU 20 1HB LEU 20 4.107 -0.373 -1.428 526 2HB LEU 20 2HB LEU 20 2.628 -0.603 -0.515 527 HG LEU 20 HG LEU 20 4.065 -2.934 -1.749 528 1HD1 LEU 20 1HD1 LEU 20 5.197 -1.256 0.162 529 2HD1 LEU 20 2HD1 LEU 20 4.560 -2.624 1.074 530 3HD1 LEU 20 3HD1 LEU 20 5.698 -2.897 -0.245 531 1HD2 LEU 20 1HD2 LEU 20 1.810 -2.502 0.085 532 2HD2 LEU 20 2HD2 LEU 20 2.150 -3.847 -1.004 533 3HD2 LEU 20 3HD2 LEU 20 2.941 -3.765 0.570 534 H GLN 21 H GLN 21 3.004 1.431 -3.157 535 HA GLN 21 HA GLN 21 0.813 2.765 -2.012 536 1HB GLN 21 1HB GLN 21 3.085 3.716 -2.741 537 2HB GLN 21 2HB GLN 21 2.388 3.820 -4.352 538 1HG GLN 21 1HG GLN 21 1.215 5.643 -3.848 539 2HG GLN 21 2HG GLN 21 0.688 4.986 -2.299 540 2HE2 GLN 21 2HE2 GLN 21 3.872 5.792 -3.640 541 1HE2 GLN 21 1HE2 GLN 21 4.337 6.848 -2.354 542 H LYS 22 H LYS 22 1.421 1.660 -5.325 543 HA LYS 22 HA LYS 22 -0.905 2.773 -6.470 544 1HB LYS 22 1HB LYS 22 1.076 1.918 -7.738 545 2HB LYS 22 2HB LYS 22 0.556 0.282 -7.359 546 1HG LYS 22 1HG LYS 22 -1.708 1.241 -8.439 547 2HG LYS 22 2HG LYS 22 -0.516 2.210 -9.309 548 1HD LYS 22 1HD LYS 22 -1.042 0.152 -10.520 549 2HD LYS 22 2HD LYS 22 0.645 0.175 -9.999 550 1HE LYS 22 1HE LYS 22 0.358 -1.534 -8.537 551 2HE LYS 22 2HE LYS 22 -1.293 -1.059 -8.141 552 1HZ LYS 22 1HZ LYS 22 -0.833 -2.057 -10.838 553 2HZ LYS 22 2HZ LYS 22 -0.723 -3.192 -9.589 554 3HZ LYS 22 3HZ LYS 22 -2.147 -2.304 -9.801 555 H GLU 23 H GLU 23 -0.265 -0.301 -4.879 556 HA GLU 23 HA GLU 23 -2.705 -1.561 -5.523 557 1HB GLU 23 1HB GLU 23 -0.521 -2.543 -4.515 558 2HB GLU 23 2HB GLU 23 -1.223 -2.093 -2.967 559 1HG GLU 23 1HG GLU 23 -2.974 -3.603 -3.178 560 2HG GLU 23 2HG GLU 23 -2.766 -3.747 -4.923 561 H ILE 24 H ILE 24 -1.754 0.553 -2.860 562 HA ILE 24 HA ILE 24 -4.095 0.184 -1.322 563 HB ILE 24 HB ILE 24 -3.317 1.770 0.123 564 1HG1 ILE 24 1HG1 ILE 24 -1.759 3.705 -0.752 565 2HG1 ILE 24 2HG1 ILE 24 -2.515 3.340 -2.300 566 1HG2 ILE 24 1HG2 ILE 24 -1.423 0.154 -0.792 567 2HG2 ILE 24 2HG2 ILE 24 -0.678 1.695 -1.207 568 3HG2 ILE 24 3HG2 ILE 24 -1.120 1.354 0.463 569 1HD1 ILE 24 1HD1 ILE 24 -4.566 3.510 -0.360 570 2HD1 ILE 24 2HD1 ILE 24 -3.511 4.911 -0.166 571 3HD1 ILE 24 3HD1 ILE 24 -4.252 4.576 -1.731 572 H GLU 25 H GLU 25 -3.242 2.447 -3.883 573 HA GLU 25 HA GLU 25 -5.473 4.126 -3.738 574 1HB GLU 25 1HB GLU 25 -3.294 4.259 -5.190 575 2HB GLU 25 2HB GLU 25 -4.257 3.389 -6.377 576 1HG GLU 25 1HG GLU 25 -5.226 5.266 -7.016 577 2HG GLU 25 2HG GLU 25 -5.788 5.571 -5.373 578 H ARG 26 H ARG 26 -4.965 1.105 -5.526 579 HA ARG 26 HA ARG 26 -7.364 1.028 -6.932 580 1HB ARG 26 1HB ARG 26 -5.216 -0.638 -6.691 581 2HB ARG 26 2HB ARG 26 -6.456 -1.560 -5.851 582 1HG ARG 26 1HG ARG 26 -6.920 -2.342 -7.896 583 2HG ARG 26 2HG ARG 26 -7.801 -0.823 -8.079 584 1HD ARG 26 1HD ARG 26 -5.660 0.169 -8.972 585 2HD ARG 26 2HD ARG 26 -5.015 -1.471 -9.016 586 HE ARG 26 HE ARG 26 -6.811 -0.295 -10.881 587 1HH1 ARG 26 1HH1 ARG 26 -5.995 -3.300 -9.321 588 2HH1 ARG 26 2HH1 ARG 26 -6.608 -4.284 -10.608 589 1HH2 ARG 26 1HH2 ARG 26 -7.622 -1.582 -12.581 590 2HH2 ARG 26 2HH2 ARG 26 -7.532 -3.307 -12.462 591 H HIS 27 H HIS 27 -6.608 -0.265 -3.708 592 HA HIS 27 HA HIS 27 -9.204 -1.233 -3.163 593 1HB HIS 27 1HB HIS 27 -6.716 -0.794 -1.655 594 2HB HIS 27 2HB HIS 27 -8.181 -0.679 -0.686 595 HD1 HIS 27 HD1 HIS 27 -9.736 -2.848 -0.685 596 HD2 HIS 27 HD2 HIS 27 -5.938 -3.343 -2.297 597 HE1 HIS 27 HE1 HIS 27 -9.357 -5.333 -0.763 598 HE2 HIS 27 HE2 HIS 27 -7.052 -5.611 -1.743 599 H LYS 28 H LYS 28 -7.799 1.924 -3.047 600 HA LYS 28 HA LYS 28 -9.757 3.073 -1.295 601 1HB LYS 28 1HB LYS 28 -7.390 3.931 -1.697 602 2HB LYS 28 2HB LYS 28 -7.986 4.566 -3.224 603 1HG LYS 28 1HG LYS 28 -9.822 5.508 -1.410 604 2HG LYS 28 2HG LYS 28 -8.298 5.594 -0.524 605 1HD LYS 28 1HD LYS 28 -8.483 7.662 -1.626 606 2HD LYS 28 2HD LYS 28 -7.345 6.727 -2.598 607 1HE LYS 28 1HE LYS 28 -8.752 6.599 -4.360 608 2HE LYS 28 2HE LYS 28 -10.184 6.460 -3.340 609 1HZ LYS 28 1HZ LYS 28 -10.019 8.849 -2.895 610 2HZ LYS 28 2HZ LYS 28 -8.697 8.958 -3.945 611 3HZ LYS 28 3HZ LYS 28 -10.219 8.528 -4.545 612 H GLN 29 H GLN 29 -9.490 2.464 -4.691 613 HA GLN 29 HA GLN 29 -11.530 4.335 -5.475 614 1HB GLN 29 1HB GLN 29 -9.584 3.377 -6.902 615 2HB GLN 29 2HB GLN 29 -10.643 1.993 -7.134 616 1HG GLN 29 1HG GLN 29 -12.239 3.261 -8.281 617 2HG GLN 29 2HG GLN 29 -11.551 4.786 -7.724 618 2HE2 GLN 29 2HE2 GLN 29 -11.631 5.327 -10.012 619 1HE2 GLN 29 1HE2 GLN 29 -10.325 4.842 -11.034 620 H SER 30 H SER 30 -11.347 0.916 -4.693 621 HA SER 30 HA SER 30 -14.009 0.312 -5.549 622 1HB SER 30 1HB SER 30 -13.615 -1.804 -4.179 623 2HB SER 30 2HB SER 30 -12.489 -1.516 -5.505 624 HG SER 30 HG SER 30 -11.020 -1.708 -4.020 625 H ILE 31 H ILE 31 -12.501 1.245 -2.514 626 HA ILE 31 HA ILE 31 -14.862 0.806 -0.939 627 HB ILE 31 HB ILE 31 -12.707 0.644 0.129 628 1HG1 ILE 31 1HG1 ILE 31 -13.008 2.420 1.956 629 2HG1 ILE 31 2HG1 ILE 31 -14.407 2.964 1.035 630 1HG2 ILE 31 1HG2 ILE 31 -12.022 2.808 -1.454 631 2HG2 ILE 31 2HG2 ILE 31 -11.998 3.449 0.189 632 3HG2 ILE 31 3HG2 ILE 31 -11.016 2.044 -0.224 633 1HD1 ILE 31 1HD1 ILE 31 -15.285 0.618 1.201 634 2HD1 ILE 31 2HD1 ILE 31 -13.980 0.301 2.344 635 3HD1 ILE 31 3HD1 ILE 31 -15.202 1.515 2.717 636 H LYS 32 H LYS 32 -13.488 3.448 -2.745 637 HA LYS 32 HA LYS 32 -15.169 5.459 -1.553 638 1HB LYS 32 1HB LYS 32 -12.925 5.972 -2.492 639 2HB LYS 32 2HB LYS 32 -13.537 5.590 -4.096 640 1HG LYS 32 1HG LYS 32 -13.743 7.859 -4.104 641 2HG LYS 32 2HG LYS 32 -15.335 7.404 -3.495 642 1HD LYS 32 1HD LYS 32 -14.797 8.970 -1.933 643 2HD LYS 32 2HD LYS 32 -14.059 7.560 -1.168 644 1HE LYS 32 1HE LYS 32 -12.064 8.434 -2.823 645 2HE LYS 32 2HE LYS 32 -12.817 9.947 -2.320 646 1HZ LYS 32 1HZ LYS 32 -11.904 7.832 -0.447 647 2HZ LYS 32 2HZ LYS 32 -11.002 9.207 -0.846 648 3HZ LYS 32 3HZ LYS 32 -12.479 9.369 -0.037 649 H LYS 33 H LYS 33 -15.266 3.359 -4.343 650 HA LYS 33 HA LYS 33 -17.487 4.718 -5.574 651 1HB LYS 33 1HB LYS 33 -15.686 3.327 -6.760 652 2HB LYS 33 2HB LYS 33 -16.568 1.917 -6.191 653 1HG LYS 33 1HG LYS 33 -17.736 2.069 -8.074 654 2HG LYS 33 2HG LYS 33 -18.536 3.459 -7.337 655 1HD LYS 33 1HD LYS 33 -15.942 3.823 -8.779 656 2HD LYS 33 2HD LYS 33 -17.445 3.686 -9.694 657 1HE LYS 33 1HE LYS 33 -17.713 5.511 -7.464 658 2HE LYS 33 2HE LYS 33 -16.394 5.985 -8.533 659 1HZ LYS 33 1HZ LYS 33 -18.006 5.764 -10.404 660 2HZ LYS 33 2HZ LYS 33 -19.238 5.568 -9.262 661 3HZ LYS 33 3HZ LYS 33 -18.362 7.013 -9.319 662 H LEU 34 H LEU 34 -17.002 1.974 -3.451 663 HA LEU 34 HA LEU 34 -19.722 1.061 -3.627 664 1HB LEU 34 1HB LEU 34 -17.256 0.220 -2.309 665 2HB LEU 34 2HB LEU 34 -18.675 -0.006 -1.305 666 HG LEU 34 HG LEU 34 -18.830 -0.986 -4.104 667 1HD1 LEU 34 1HD1 LEU 34 -16.599 -1.642 -2.628 668 2HD1 LEU 34 2HD1 LEU 34 -17.709 -2.975 -2.307 669 3HD1 LEU 34 3HD1 LEU 34 -17.271 -2.572 -3.967 670 1HD2 LEU 34 1HD2 LEU 34 -20.590 -1.081 -2.175 671 2HD2 LEU 34 2HD2 LEU 34 -20.369 -2.464 -3.247 672 3HD2 LEU 34 3HD2 LEU 34 -19.637 -2.466 -1.643 673 H LYS 35 H LYS 35 -17.911 3.269 -1.642 674 HA LYS 35 HA LYS 35 -19.902 3.432 0.432 675 1HB LYS 35 1HB LYS 35 -17.384 3.883 0.666 676 2HB LYS 35 2HB LYS 35 -17.718 5.443 -0.072 677 1HG LYS 35 1HG LYS 35 -19.589 5.083 2.015 678 2HG LYS 35 2HG LYS 35 -17.997 4.654 2.644 679 1HD LYS 35 1HD LYS 35 -18.667 7.216 1.198 680 2HD LYS 35 2HD LYS 35 -18.517 7.043 2.948 681 1HE LYS 35 1HE LYS 35 -16.165 6.102 2.399 682 2HE LYS 35 2HE LYS 35 -16.397 6.893 0.840 683 1HZ LYS 35 1HZ LYS 35 -16.626 8.277 3.455 684 2HZ LYS 35 2HZ LYS 35 -15.227 8.273 2.505 685 3HZ LYS 35 3HZ LYS 35 -16.644 8.990 1.921 686 H GLN 36 H GLN 36 -19.080 5.192 -2.487 687 HA GLN 36 HA GLN 36 -20.858 7.381 -1.955 688 1HB GLN 36 1HB GLN 36 -18.911 7.732 -3.362 689 2HB GLN 36 2HB GLN 36 -19.465 6.503 -4.489 690 1HG GLN 36 1HG GLN 36 -21.545 8.391 -4.221 691 2HG GLN 36 2HG GLN 36 -20.043 9.284 -4.448 692 2HE2 GLN 36 2HE2 GLN 36 -20.979 9.936 -6.478 693 1HE2 GLN 36 1HE2 GLN 36 -20.872 8.888 -7.847 694 H SER 37 H SER 37 -21.052 4.302 -3.586 695 HA SER 37 HA SER 37 -23.522 4.856 -4.929 696 1HB SER 37 1HB SER 37 -21.648 3.025 -5.392 697 2HB SER 37 2HB SER 37 -22.680 2.053 -4.343 698 HG SER 37 HG SER 37 -23.569 1.716 -6.269 699 H GLU 38 H GLU 38 -22.596 3.714 -1.794 700 HA GLU 38 HA GLU 38 -25.100 2.506 -1.126 701 1HB GLU 38 1HB GLU 38 -22.618 2.401 -0.037 702 2HB GLU 38 2HB GLU 38 -23.399 3.530 1.062 703 1HG GLU 38 1HG GLU 38 -25.188 1.881 1.441 704 2HG GLU 38 2HG GLU 38 -24.331 0.746 0.398 705 H ASP 39 H ASP 39 -23.814 5.722 -1.057 706 HA ASP 39 HA ASP 39 -25.648 6.815 0.826 707 1HB ASP 39 1HB ASP 39 -23.379 7.762 -0.082 708 2HB ASP 39 2HB ASP 39 -24.393 8.461 -1.342 709 H ASP 40 H ASP 40 -25.786 6.101 -2.562 710 HA ASP 40 HA ASP 40 -28.294 7.601 -2.838 711 1HB ASP 40 1HB ASP 40 -26.616 8.040 -4.560 712 2HB ASP 40 2HB ASP 40 -26.534 6.324 -4.943 713 H ASP 41 H ASP 41 -30.071 6.545 -4.020 714 HA ASP 41 HA ASP 41 -30.153 3.708 -4.274 715 1HB ASP 41 1HB ASP 41 -31.992 3.427 -2.528 716 2HB ASP 41 2HB ASP 41 -30.350 3.609 -1.916 No H/Q in entry = 716 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -35.116 -3.981 0.499 2 H2 ALA 1 H2 ALA 1 -36.432 -3.034 -0.062 3 H3 ALA 1 H3 ALA 1 -35.541 -4.005 -1.161 4 HA ALA 1 HA ALA 1 -33.852 -2.604 -1.288 5 1HB ALA 1 1HB ALA 1 -36.286 -1.012 -0.592 6 2HB ALA 1 2HB ALA 1 -34.764 -0.206 -0.969 7 3HB ALA 1 3HB ALA 1 -35.524 -1.260 -2.162 8 H LEU 2 H LEU 2 -32.636 -3.484 0.563 9 HA LEU 2 HA LEU 2 -32.226 -1.393 2.579 10 1HB LEU 2 1HB LEU 2 -33.460 -3.775 3.173 11 2HB LEU 2 2HB LEU 2 -31.787 -4.110 3.576 12 HG LEU 2 HG LEU 2 -31.934 -1.864 4.903 13 1HD1 LEU 2 1HD1 LEU 2 -34.144 -1.239 4.037 14 2HD1 LEU 2 2HD1 LEU 2 -34.836 -2.672 4.796 15 3HD1 LEU 2 3HD1 LEU 2 -34.139 -1.396 5.793 16 1HD2 LEU 2 1HD2 LEU 2 -32.020 -4.488 5.590 17 2HD2 LEU 2 2HD2 LEU 2 -31.989 -3.153 6.743 18 3HD2 LEU 2 3HD2 LEU 2 -33.525 -3.899 6.298 19 H LYS 3 H LYS 3 -30.869 -4.584 1.735 20 HA LYS 3 HA LYS 3 -28.723 -5.280 1.422 21 1HB LYS 3 1HB LYS 3 -28.942 -2.701 -0.028 22 2HB LYS 3 2HB LYS 3 -27.317 -3.322 0.225 23 1HG LYS 3 1HG LYS 3 -27.564 -4.726 -1.463 24 2HG LYS 3 2HG LYS 3 -28.973 -5.452 -0.687 25 1HD LYS 3 1HD LYS 3 -30.324 -3.536 -1.622 26 2HD LYS 3 2HD LYS 3 -28.902 -3.109 -2.577 27 1HE LYS 3 1HE LYS 3 -29.461 -5.913 -2.838 28 2HE LYS 3 2HE LYS 3 -30.907 -4.974 -3.209 29 1HZ LYS 3 1HZ LYS 3 -29.616 -3.686 -4.797 30 2HZ LYS 3 2HZ LYS 3 -28.230 -4.587 -4.440 31 3HZ LYS 3 3HZ LYS 3 -29.558 -5.334 -5.177 32 H LYS 4 H LYS 4 -28.922 -4.788 3.948 33 HA LYS 4 HA LYS 4 -27.240 -2.707 4.947 34 1HB LYS 4 1HB LYS 4 -29.170 -4.246 6.059 35 2HB LYS 4 2HB LYS 4 -27.735 -5.070 6.653 36 1HG LYS 4 1HG LYS 4 -27.170 -2.414 7.108 37 2HG LYS 4 2HG LYS 4 -28.896 -2.534 7.455 38 1HD LYS 4 1HD LYS 4 -28.026 -4.740 8.716 39 2HD LYS 4 2HD LYS 4 -26.585 -3.730 8.857 40 1HE LYS 4 1HE LYS 4 -27.649 -2.158 10.157 41 2HE LYS 4 2HE LYS 4 -29.244 -2.555 9.518 42 1HZ LYS 4 1HZ LYS 4 -28.730 -4.817 10.725 43 2HZ LYS 4 2HZ LYS 4 -27.733 -3.832 11.673 44 3HZ LYS 4 3HZ LYS 4 -29.389 -3.502 11.562 45 H HIS 5 H HIS 5 -26.793 -6.077 4.103 46 HA HIS 5 HA HIS 5 -24.348 -6.553 5.373 47 1HB HIS 5 1HB HIS 5 -24.083 -8.407 3.864 48 2HB HIS 5 2HB HIS 5 -25.791 -8.280 4.274 49 HD1 HIS 5 HD1 HIS 5 -24.016 -9.226 1.530 50 HD2 HIS 5 HD2 HIS 5 -26.865 -6.246 2.047 51 HE1 HIS 5 HE1 HIS 5 -24.935 -8.771 -0.766 52 HE2 HIS 5 HE2 HIS 5 -26.659 -6.963 -0.430 53 H HIS 6 H HIS 6 -25.117 -4.809 2.459 54 HA HIS 6 HA HIS 6 -22.593 -4.793 1.241 55 1HB HIS 6 1HB HIS 6 -25.094 -3.293 0.993 56 2HB HIS 6 2HB HIS 6 -23.671 -2.331 0.607 57 HD1 HIS 6 HD1 HIS 6 -24.162 -6.003 -0.184 58 HD2 HIS 6 HD2 HIS 6 -23.820 -2.342 -2.120 59 HE1 HIS 6 HE1 HIS 6 -24.037 -6.548 -2.636 60 HE2 HIS 6 HE2 HIS 6 -23.830 -4.317 -3.790 61 H GLU 7 H GLU 7 -23.970 -2.782 3.782 62 HA GLU 7 HA GLU 7 -21.925 -0.839 3.850 63 1HB GLU 7 1HB GLU 7 -23.998 -1.763 5.815 64 2HB GLU 7 2HB GLU 7 -22.765 -0.609 6.307 65 1HG GLU 7 1HG GLU 7 -23.487 0.814 4.359 66 2HG GLU 7 2HG GLU 7 -24.860 -0.278 4.181 67 H ASN 8 H ASN 8 -22.145 -4.071 5.066 68 HA ASN 8 HA ASN 8 -20.046 -3.862 6.990 69 1HB ASN 8 1HB ASN 8 -21.952 -5.780 6.329 70 2HB ASN 8 2HB ASN 8 -20.422 -6.532 5.884 71 2HD2 ASN 8 2HD2 ASN 8 -20.738 -8.046 7.558 72 1HD2 ASN 8 1HD2 ASN 8 -20.426 -7.631 9.205 73 H GLU 9 H GLU 9 -20.210 -5.387 3.767 74 HA GLU 9 HA GLU 9 -17.462 -5.945 3.569 75 1HB GLU 9 1HB GLU 9 -19.563 -6.643 2.088 76 2HB GLU 9 2HB GLU 9 -19.011 -5.294 1.106 77 1HG GLU 9 1HG GLU 9 -17.998 -7.189 0.184 78 2HG GLU 9 2HG GLU 9 -16.732 -6.396 1.119 79 H ILE 10 H ILE 10 -19.263 -3.029 3.170 80 HA ILE 10 HA ILE 10 -17.362 -1.634 1.578 81 HB ILE 10 HB ILE 10 -19.977 -1.154 2.604 82 1HG1 ILE 10 1HG1 ILE 10 -18.860 0.930 0.897 83 2HG1 ILE 10 2HG1 ILE 10 -18.513 -0.697 0.319 84 1HG2 ILE 10 1HG2 ILE 10 -18.900 0.233 4.353 85 2HG2 ILE 10 2HG2 ILE 10 -18.206 1.237 3.080 86 3HG2 ILE 10 3HG2 ILE 10 -19.956 1.146 3.275 87 1HD1 ILE 10 1HD1 ILE 10 -21.227 -0.643 1.084 88 2HD1 ILE 10 2HD1 ILE 10 -20.917 0.797 0.114 89 3HD1 ILE 10 3HD1 ILE 10 -20.545 -0.801 -0.535 90 H SER 11 H SER 11 -18.110 -1.646 5.058 91 HA SER 11 HA SER 11 -16.108 0.189 5.809 92 1HB SER 11 1HB SER 11 -18.155 -0.812 7.143 93 2HB SER 11 2HB SER 11 -16.956 -1.994 7.672 94 HG SER 11 HG SER 11 -16.455 -0.518 9.079 95 H HIS 12 H HIS 12 -16.032 -3.194 5.063 96 HA HIS 12 HA HIS 12 -13.561 -3.764 6.357 97 1HB HIS 12 1HB HIS 12 -14.351 -5.827 5.978 98 2HB HIS 12 2HB HIS 12 -15.562 -5.204 4.872 99 HD1 HIS 12 HD1 HIS 12 -11.935 -6.343 4.809 100 HD2 HIS 12 HD2 HIS 12 -15.234 -6.017 2.308 101 HE1 HIS 12 HE1 HIS 12 -11.252 -7.442 2.652 102 HE2 HIS 12 HE2 HIS 12 -13.265 -7.235 1.151 103 H HIS 13 H HIS 13 -14.466 -2.904 3.029 104 HA HIS 13 HA HIS 13 -11.867 -3.106 1.947 105 1HB HIS 13 1HB HIS 13 -14.031 -1.222 1.003 106 2HB HIS 13 2HB HIS 13 -12.697 -1.875 0.061 107 HD1 HIS 13 HD1 HIS 13 -13.042 -4.871 0.856 108 HD2 HIS 13 HD2 HIS 13 -16.103 -2.341 -0.360 109 HE1 HIS 13 HE1 HIS 13 -14.839 -6.379 -0.053 110 HE2 HIS 13 HE2 HIS 13 -16.688 -4.827 -0.777 111 H ALA 14 H ALA 14 -13.515 -0.631 3.760 112 HA ALA 14 HA ALA 14 -11.805 1.537 3.169 113 1HB ALA 14 1HB ALA 14 -13.006 1.416 5.866 114 2HB ALA 14 2HB ALA 14 -14.123 1.322 4.505 115 3HB ALA 14 3HB ALA 14 -13.041 2.706 4.663 116 H LYS 15 H LYS 15 -11.856 -0.729 5.915 117 HA LYS 15 HA LYS 15 -9.501 0.255 7.125 118 1HB LYS 15 1HB LYS 15 -11.086 -2.278 7.354 119 2HB LYS 15 2HB LYS 15 -9.513 -2.166 8.131 120 1HG LYS 15 1HG LYS 15 -10.758 0.164 8.900 121 2HG LYS 15 2HG LYS 15 -12.064 -1.023 8.911 122 1HD LYS 15 1HD LYS 15 -11.011 -2.351 10.505 123 2HD LYS 15 2HD LYS 15 -9.424 -1.649 10.181 124 1HE LYS 15 1HE LYS 15 -11.602 0.098 11.232 125 2HE LYS 15 2HE LYS 15 -10.772 -0.997 12.338 126 1HZ LYS 15 1HZ LYS 15 -9.071 0.600 10.605 127 2HZ LYS 15 2HZ LYS 15 -9.918 1.455 11.793 128 3HZ LYS 15 3HZ LYS 15 -8.880 0.194 12.235 129 H GLU 16 H GLU 16 -10.047 -1.770 4.397 130 HA GLU 16 HA GLU 16 -7.499 -3.083 4.442 131 1HB GLU 16 1HB GLU 16 -9.727 -2.869 2.439 132 2HB GLU 16 2HB GLU 16 -8.183 -3.580 1.989 133 1HG GLU 16 1HG GLU 16 -9.472 -4.588 4.455 134 2HG GLU 16 2HG GLU 16 -10.213 -5.017 2.915 135 H ILE 17 H ILE 17 -8.843 -0.201 2.908 136 HA ILE 17 HA ILE 17 -6.580 0.243 1.220 137 HB ILE 17 HB ILE 17 -7.617 2.192 0.494 138 1HG1 ILE 17 1HG1 ILE 17 -9.663 3.034 2.064 139 2HG1 ILE 17 2HG1 ILE 17 -8.567 2.423 3.296 140 1HG2 ILE 17 1HG2 ILE 17 -9.130 -0.091 0.742 141 2HG2 ILE 17 2HG2 ILE 17 -10.210 1.175 1.322 142 3HG2 ILE 17 3HG2 ILE 17 -9.496 1.293 -0.284 143 1HD1 ILE 17 1HD1 ILE 17 -6.874 3.887 1.772 144 2HD1 ILE 17 2HD1 ILE 17 -8.372 4.804 1.610 145 3HD1 ILE 17 3HD1 ILE 17 -7.703 4.481 3.210 146 H GLU 18 H GLU 18 -7.500 1.271 4.446 147 HA GLU 18 HA GLU 18 -5.378 3.179 4.713 148 1HB GLU 18 1HB GLU 18 -7.055 1.840 6.846 149 2HB GLU 18 2HB GLU 18 -6.024 3.245 7.081 150 1HG GLU 18 1HG GLU 18 -7.438 4.642 5.890 151 2HG GLU 18 2HG GLU 18 -8.229 3.301 5.065 152 H ARG 19 H ARG 19 -5.879 -0.193 5.609 153 HA ARG 19 HA ARG 19 -3.485 -0.466 7.110 154 1HB ARG 19 1HB ARG 19 -5.434 -2.376 5.872 155 2HB ARG 19 2HB ARG 19 -3.902 -2.980 6.492 156 1HG ARG 19 1HG ARG 19 -5.397 -1.220 8.314 157 2HG ARG 19 2HG ARG 19 -6.152 -2.775 7.955 158 1HD ARG 19 1HD ARG 19 -3.590 -3.535 8.399 159 2HD ARG 19 2HD ARG 19 -3.720 -2.155 9.489 160 HE ARG 19 HE ARG 19 -4.931 -3.495 10.866 161 1HH1 ARG 19 1HH1 ARG 19 -5.340 -4.641 7.603 162 2HH1 ARG 19 2HH1 ARG 19 -6.352 -5.970 8.058 163 1HH2 ARG 19 1HH2 ARG 19 -6.262 -5.244 11.477 164 2HH2 ARG 19 2HH2 ARG 19 -6.876 -6.314 10.261 165 H LEU 20 H LEU 20 -4.300 -0.813 3.713 166 HA LEU 20 HA LEU 20 -1.902 -2.088 2.915 167 1HB LEU 20 1HB LEU 20 -4.279 -1.243 1.686 168 2HB LEU 20 2HB LEU 20 -2.999 -0.363 0.871 169 HG LEU 20 HG LEU 20 -3.136 -3.366 1.166 170 1HD1 LEU 20 1HD1 LEU 20 -4.754 -2.032 -0.416 171 2HD1 LEU 20 2HD1 LEU 20 -3.319 -1.936 -1.437 172 3HD1 LEU 20 3HD1 LEU 20 -3.960 -3.509 -0.961 173 1HD2 LEU 20 1HD2 LEU 20 -0.883 -1.906 0.905 174 2HD2 LEU 20 2HD2 LEU 20 -1.093 -3.521 0.230 175 3HD2 LEU 20 3HD2 LEU 20 -1.334 -2.102 -0.789 176 H GLN 21 H GLN 21 -2.928 1.299 3.042 177 HA GLN 21 HA GLN 21 -0.678 2.472 1.896 178 1HB GLN 21 1HB GLN 21 -2.747 3.701 2.386 179 2HB GLN 21 2HB GLN 21 -2.431 3.556 4.109 180 1HG GLN 21 1HG GLN 21 -0.765 5.121 4.081 181 2HG GLN 21 2HG GLN 21 -0.370 4.829 2.388 182 2HE2 GLN 21 2HE2 GLN 21 -1.882 5.616 0.782 183 1HE2 GLN 21 1HE2 GLN 21 -2.803 7.040 1.112 184 H LYS 22 H LYS 22 -1.312 1.617 5.283 185 HA LYS 22 HA LYS 22 1.061 2.671 6.353 186 1HB LYS 22 1HB LYS 22 -0.848 2.008 7.744 187 2HB LYS 22 2HB LYS 22 -0.586 0.323 7.315 188 1HG LYS 22 1HG LYS 22 1.861 1.235 8.318 189 2HG LYS 22 2HG LYS 22 0.622 1.885 9.394 190 1HD LYS 22 1HD LYS 22 0.978 -0.164 10.362 191 2HD LYS 22 2HD LYS 22 -0.329 -0.564 9.243 192 1HE LYS 22 1HE LYS 22 1.298 -1.375 7.619 193 2HE LYS 22 2HE LYS 22 2.617 -0.943 8.708 194 1HZ LYS 22 1HZ LYS 22 0.897 -2.542 10.167 195 2HZ LYS 22 2HZ LYS 22 1.048 -3.297 8.661 196 3HZ LYS 22 3HZ LYS 22 2.427 -2.956 9.579 197 H GLU 23 H GLU 23 0.330 -0.410 4.836 198 HA GLU 23 HA GLU 23 2.720 -1.741 5.540 199 1HB GLU 23 1HB GLU 23 0.633 -2.826 4.669 200 2HB GLU 23 2HB GLU 23 1.040 -2.206 3.074 201 1HG GLU 23 1HG GLU 23 2.402 -3.905 2.696 202 2HG GLU 23 2HG GLU 23 3.287 -3.594 4.189 203 H ILE 24 H ILE 24 1.845 0.305 2.794 204 HA ILE 24 HA ILE 24 4.178 -0.166 1.284 205 HB ILE 24 HB ILE 24 3.470 1.424 -0.193 206 1HG1 ILE 24 1HG1 ILE 24 1.995 3.438 0.632 207 2HG1 ILE 24 2HG1 ILE 24 2.713 3.068 2.197 208 1HG2 ILE 24 1HG2 ILE 24 1.580 -0.120 0.382 209 2HG2 ILE 24 2HG2 ILE 24 0.900 1.191 1.342 210 3HG2 ILE 24 3HG2 ILE 24 1.115 1.392 -0.394 211 1HD1 ILE 24 1HD1 ILE 24 4.788 3.114 0.266 212 2HD1 ILE 24 2HD1 ILE 24 3.805 4.566 0.064 213 3HD1 ILE 24 3HD1 ILE 24 4.522 4.199 1.633 214 H GLU 25 H GLU 25 3.407 2.188 3.792 215 HA GLU 25 HA GLU 25 5.733 3.744 3.622 216 1HB GLU 25 1HB GLU 25 3.505 3.449 5.432 217 2HB GLU 25 2HB GLU 25 5.001 3.636 6.338 218 1HG GLU 25 1HG GLU 25 4.619 5.820 6.090 219 2HG GLU 25 2HG GLU 25 5.279 5.580 4.473 220 H ARG 26 H ARG 26 5.014 0.785 5.417 221 HA ARG 26 HA ARG 26 7.344 0.605 6.932 222 1HB ARG 26 1HB ARG 26 5.337 -1.333 5.907 223 2HB ARG 26 2HB ARG 26 6.869 -1.995 6.460 224 1HG ARG 26 1HG ARG 26 5.520 -0.054 8.241 225 2HG ARG 26 2HG ARG 26 4.785 -1.650 8.071 226 1HD ARG 26 1HD ARG 26 7.349 -2.365 8.417 227 2HD ARG 26 2HD ARG 26 7.341 -0.853 9.324 228 HE ARG 26 HE ARG 26 5.133 -2.503 10.027 229 1HH1 ARG 26 1HH1 ARG 26 8.556 -2.080 10.508 230 2HH1 ARG 26 2HH1 ARG 26 8.565 -2.848 12.060 231 1HH2 ARG 26 1HH2 ARG 26 5.132 -3.516 12.070 232 2HH2 ARG 26 2HH2 ARG 26 6.618 -3.665 12.948 233 H HIS 27 H HIS 27 6.664 -0.520 3.638 234 HA HIS 27 HA HIS 27 9.202 -1.688 3.190 235 1HB HIS 27 1HB HIS 27 6.793 -1.400 1.757 236 2HB HIS 27 2HB HIS 27 8.038 -0.655 0.761 237 HD1 HIS 27 HD1 HIS 27 9.898 -2.204 -0.169 238 HD2 HIS 27 HD2 HIS 27 6.971 -4.172 2.028 239 HE1 HIS 27 HE1 HIS 27 10.229 -4.651 -0.649 240 HE2 HIS 27 HE2 HIS 27 8.447 -5.824 0.691 241 H LYS 28 H LYS 28 7.988 1.557 3.040 242 HA LYS 28 HA LYS 28 10.142 2.644 1.501 243 1HB LYS 28 1HB LYS 28 7.799 3.625 1.787 244 2HB LYS 28 2HB LYS 28 8.343 4.185 3.361 245 1HG LYS 28 1HG LYS 28 10.338 5.083 1.737 246 2HG LYS 28 2HG LYS 28 8.922 5.222 0.692 247 1HD LYS 28 1HD LYS 28 8.808 7.245 1.742 248 2HD LYS 28 2HD LYS 28 7.870 6.278 2.882 249 1HE LYS 28 1HE LYS 28 9.438 6.424 4.494 250 2HE LYS 28 2HE LYS 28 10.772 6.291 3.347 251 1HZ LYS 28 1HZ LYS 28 9.162 8.759 3.512 252 2HZ LYS 28 2HZ LYS 28 10.445 8.491 4.582 253 3HZ LYS 28 3HZ LYS 28 10.732 8.554 2.916 254 H GLN 29 H GLN 29 9.648 1.865 4.827 255 HA GLN 29 HA GLN 29 11.719 3.605 5.821 256 1HB GLN 29 1HB GLN 29 9.891 3.085 7.299 257 2HB GLN 29 2HB GLN 29 10.157 1.359 7.100 258 1HG GLN 29 1HG GLN 29 12.177 1.436 8.333 259 2HG GLN 29 2HG GLN 29 12.199 3.199 8.311 260 2HE2 GLN 29 2HE2 GLN 29 11.255 4.271 9.926 261 1HE2 GLN 29 1HE2 GLN 29 10.304 3.552 11.177 262 H SER 30 H SER 30 11.400 0.248 4.855 263 HA SER 30 HA SER 30 13.989 -0.519 5.839 264 1HB SER 30 1HB SER 30 11.770 -1.823 4.381 265 2HB SER 30 2HB SER 30 13.378 -2.455 4.028 266 HG SER 30 HG SER 30 12.640 -2.038 6.700 267 H ILE 31 H ILE 31 12.642 0.545 2.775 268 HA ILE 31 HA ILE 31 15.051 0.057 1.288 269 HB ILE 31 HB ILE 31 12.827 0.031 0.218 270 1HG1 ILE 31 1HG1 ILE 31 15.207 0.964 -0.787 271 2HG1 ILE 31 2HG1 ILE 31 13.794 0.560 -1.745 272 1HG2 ILE 31 1HG2 ILE 31 11.953 1.946 1.598 273 2HG2 ILE 31 2HG2 ILE 31 12.803 3.024 0.492 274 3HG2 ILE 31 3HG2 ILE 31 11.524 1.972 -0.112 275 1HD1 ILE 31 1HD1 ILE 31 14.289 3.326 -0.693 276 2HD1 ILE 31 2HD1 ILE 31 14.916 2.760 -2.241 277 3HD1 ILE 31 3HD1 ILE 31 13.176 2.818 -1.963 278 H LYS 32 H LYS 32 13.586 2.765 2.966 279 HA LYS 32 HA LYS 32 15.443 4.705 1.945 280 1HB LYS 32 1HB LYS 32 14.378 6.267 3.400 281 2HB LYS 32 2HB LYS 32 13.114 5.237 2.742 282 1HG LYS 32 1HG LYS 32 12.463 5.197 4.900 283 2HG LYS 32 2HG LYS 32 13.634 3.880 4.979 284 1HD LYS 32 1HD LYS 32 14.769 5.006 6.523 285 2HD LYS 32 2HD LYS 32 15.061 6.292 5.350 286 1HE LYS 32 1HE LYS 32 13.095 7.454 6.014 287 2HE LYS 32 2HE LYS 32 12.541 6.090 6.984 288 1HZ LYS 32 1HZ LYS 32 15.042 7.572 7.560 289 2HZ LYS 32 2HZ LYS 32 13.553 7.972 8.255 290 3HZ LYS 32 3HZ LYS 32 14.250 6.459 8.555 291 H LYS 33 H LYS 33 15.259 2.556 4.677 292 HA LYS 33 HA LYS 33 17.328 3.821 6.196 293 1HB LYS 33 1HB LYS 33 15.718 2.458 7.359 294 2HB LYS 33 2HB LYS 33 16.092 1.069 6.349 295 1HG LYS 33 1HG LYS 33 17.892 0.507 7.564 296 2HG LYS 33 2HG LYS 33 18.380 2.185 7.807 297 1HD LYS 33 1HD LYS 33 15.904 1.467 9.187 298 2HD LYS 33 2HD LYS 33 17.310 0.546 9.726 299 1HE LYS 33 1HE LYS 33 18.370 3.019 9.645 300 2HE LYS 33 2HE LYS 33 16.693 3.419 10.011 301 1HZ LYS 33 1HZ LYS 33 17.121 1.438 11.735 302 2HZ LYS 33 2HZ LYS 33 18.680 2.088 11.654 303 3HZ LYS 33 3HZ LYS 33 17.379 3.068 12.109 304 H LEU 34 H LEU 34 17.155 1.223 3.835 305 HA LEU 34 HA LEU 34 19.820 0.311 4.148 306 1HB LEU 34 1HB LEU 34 17.563 -0.288 2.492 307 2HB LEU 34 2HB LEU 34 18.978 -0.108 1.472 308 HG LEU 34 HG LEU 34 18.818 -1.955 3.855 309 1HD1 LEU 34 1HD1 LEU 34 17.314 -2.509 1.891 310 2HD1 LEU 34 2HD1 LEU 34 18.792 -2.746 0.957 311 3HD1 LEU 34 3HD1 LEU 34 18.473 -3.748 2.373 312 1HD2 LEU 34 1HD2 LEU 34 21.047 -0.915 2.717 313 2HD2 LEU 34 2HD2 LEU 34 20.971 -2.493 3.499 314 3HD2 LEU 34 3HD2 LEU 34 20.819 -2.369 1.746 315 H LYS 35 H LYS 35 18.295 2.668 1.983 316 HA LYS 35 HA LYS 35 20.555 3.254 0.425 317 1HB LYS 35 1HB LYS 35 17.984 4.620 1.037 318 2HB LYS 35 2HB LYS 35 19.266 5.605 0.352 319 1HG LYS 35 1HG LYS 35 17.885 3.235 -0.861 320 2HG LYS 35 2HG LYS 35 17.964 4.891 -1.459 321 1HD LYS 35 1HD LYS 35 20.484 4.518 -1.648 322 2HD LYS 35 2HD LYS 35 20.123 2.804 -1.437 323 1HE LYS 35 1HE LYS 35 20.150 3.049 -3.745 324 2HE LYS 35 2HE LYS 35 18.434 3.154 -3.354 325 1HZ LYS 35 1HZ LYS 35 20.177 5.531 -3.682 326 2HZ LYS 35 2HZ LYS 35 19.264 4.867 -4.943 327 3HZ LYS 35 3HZ LYS 35 18.489 5.498 -3.579 328 H GLN 36 H GLN 36 19.370 4.650 3.452 329 HA GLN 36 HA GLN 36 21.295 6.706 3.639 330 1HB GLN 36 1HB GLN 36 19.061 5.990 5.061 331 2HB GLN 36 2HB GLN 36 20.352 5.599 6.189 332 1HG GLN 36 1HG GLN 36 21.178 8.020 5.472 333 2HG GLN 36 2HG GLN 36 19.455 8.223 5.159 334 2HE2 GLN 36 2HE2 GLN 36 18.027 8.267 6.852 335 1HE2 GLN 36 1HE2 GLN 36 18.523 8.357 8.505 336 H SER 37 H SER 37 21.301 3.335 4.611 337 HA SER 37 HA SER 37 23.632 3.455 6.225 338 1HB SER 37 1HB SER 37 21.727 1.540 5.690 339 2HB SER 37 2HB SER 37 23.151 0.894 4.875 340 HG SER 37 HG SER 37 24.213 0.800 6.772 341 H GLU 38 H GLU 38 23.087 3.221 2.806 342 HA GLU 38 HA GLU 38 25.643 2.210 2.084 343 1HB GLU 38 1HB GLU 38 23.256 3.132 0.734 344 2HB GLU 38 2HB GLU 38 24.698 3.753 -0.058 345 1HG GLU 38 1HG GLU 38 25.559 1.375 -0.050 346 2HG GLU 38 2HG GLU 38 23.930 0.892 0.420 347 H ASP 39 H ASP 39 24.383 5.398 2.744 348 HA ASP 39 HA ASP 39 26.525 6.867 1.594 349 1HB ASP 39 1HB ASP 39 24.175 7.444 3.266 350 2HB ASP 39 2HB ASP 39 25.541 8.519 3.542 351 H ASP 40 H ASP 40 26.086 5.213 4.603 352 HA ASP 40 HA ASP 40 28.267 6.565 5.933 353 1HB ASP 40 1HB ASP 40 26.776 4.066 6.762 354 2HB ASP 40 2HB ASP 40 27.829 5.042 7.782 355 H ASP 41 H ASP 41 29.643 4.613 7.206 356 HA ASP 41 HA ASP 41 31.305 3.585 5.072 357 1HB ASP 41 1HB ASP 41 31.567 3.790 8.054 358 2HB ASP 41 2HB ASP 41 32.638 2.722 7.151 359 H1 ALA 1 H1 ALA 1 35.114 -3.967 -0.514 360 H2 ALA 1 H2 ALA 1 36.431 -3.018 0.043 361 H3 ALA 1 H3 ALA 1 35.541 -3.986 1.146 362 HA ALA 1 HA ALA 1 33.851 -2.585 1.269 363 1HB ALA 1 1HB ALA 1 35.525 -1.237 2.138 364 2HB ALA 1 2HB ALA 1 36.286 -0.994 0.566 365 3HB ALA 1 3HB ALA 1 34.763 -0.188 0.942 366 H LEU 2 H LEU 2 32.634 -3.471 -0.577 367 HA LEU 2 HA LEU 2 32.222 -1.386 -2.601 368 1HB LEU 2 1HB LEU 2 33.456 -3.770 -3.187 369 2HB LEU 2 2HB LEU 2 31.784 -4.107 -3.587 370 HG LEU 2 HG LEU 2 31.929 -1.867 -4.924 371 1HD1 LEU 2 1HD1 LEU 2 34.138 -1.237 -4.060 372 2HD1 LEU 2 2HD1 LEU 2 34.831 -2.673 -4.815 373 3HD1 LEU 2 3HD1 LEU 2 34.133 -1.400 -5.817 374 1HD2 LEU 2 1HD2 LEU 2 32.015 -4.491 -5.600 375 2HD2 LEU 2 2HD2 LEU 2 31.982 -3.161 -6.758 376 3HD2 LEU 2 3HD2 LEU 2 33.518 -3.905 -6.312 377 H LYS 3 H LYS 3 30.866 -4.575 -1.744 378 HA LYS 3 HA LYS 3 28.721 -5.268 -1.427 379 1HB LYS 3 1HB LYS 3 28.941 -2.686 0.014 380 2HB LYS 3 2HB LYS 3 27.316 -3.308 -0.236 381 1HG LYS 3 1HG LYS 3 27.564 -4.707 1.456 382 2HG LYS 3 2HG LYS 3 28.971 -5.434 0.681 383 1HD LYS 3 1HD LYS 3 30.324 -3.515 1.610 384 2HD LYS 3 2HD LYS 3 28.903 -3.084 2.564 385 1HE LYS 3 1HE LYS 3 29.462 -5.888 2.833 386 2HE LYS 3 2HE LYS 3 30.908 -4.947 3.200 387 1HZ LYS 3 1HZ LYS 3 28.232 -4.557 4.432 388 2HZ LYS 3 2HZ LYS 3 29.561 -5.300 5.172 389 3HZ LYS 3 3HZ LYS 3 29.619 -3.654 4.785 390 H LYS 4 H LYS 4 28.918 -4.785 -3.956 391 HA LYS 4 HA LYS 4 27.235 -2.709 -4.960 392 1HB LYS 4 1HB LYS 4 29.163 -4.251 -6.068 393 2HB LYS 4 2HB LYS 4 27.728 -5.078 -6.659 394 1HG LYS 4 1HG LYS 4 27.162 -2.423 -7.122 395 2HG LYS 4 2HG LYS 4 28.889 -2.544 -7.470 396 1HD LYS 4 1HD LYS 4 28.017 -4.754 -8.723 397 2HD LYS 4 2HD LYS 4 26.577 -3.745 -8.867 398 1HE LYS 4 1HE LYS 4 27.639 -2.178 -10.172 399 2HE LYS 4 2HE LYS 4 29.235 -2.572 -9.533 400 1HZ LYS 4 1HZ LYS 4 28.720 -4.839 -10.733 401 2HZ LYS 4 2HZ LYS 4 27.723 -3.857 -11.682 402 3HZ LYS 4 3HZ LYS 4 29.378 -3.527 -11.575 403 H HIS 5 H HIS 5 26.788 -6.075 -4.105 404 HA HIS 5 HA HIS 5 24.342 -6.556 -5.370 405 1HB HIS 5 1HB HIS 5 24.079 -8.405 -3.855 406 2HB HIS 5 2HB HIS 5 25.786 -8.278 -4.266 407 HD1 HIS 5 HD1 HIS 5 24.012 -9.215 -1.518 408 HD2 HIS 5 HD2 HIS 5 26.861 -6.237 -2.047 409 HE1 HIS 5 HE1 HIS 5 24.934 -8.752 0.776 410 HE2 HIS 5 HE2 HIS 5 26.657 -6.945 0.433 411 H HIS 6 H HIS 6 25.115 -4.803 -2.462 412 HA HIS 6 HA HIS 6 22.592 -4.780 -1.243 413 1HB HIS 6 1HB HIS 6 25.094 -3.282 -1.000 414 2HB HIS 6 2HB HIS 6 23.672 -2.317 -0.618 415 HD1 HIS 6 HD1 HIS 6 24.162 -5.986 0.186 416 HD2 HIS 6 HD2 HIS 6 23.821 -2.319 2.110 417 HE1 HIS 6 HE1 HIS 6 24.037 -6.523 2.641 418 HE2 HIS 6 HE2 HIS 6 23.831 -4.289 3.786 419 H GLU 7 H GLU 7 23.968 -2.781 -3.793 420 HA GLU 7 HA GLU 7 21.926 -0.836 -3.864 421 1HB GLU 7 1HB GLU 7 23.996 -1.768 -5.828 422 2HB GLU 7 2HB GLU 7 22.762 -0.617 -6.325 423 1HG GLU 7 1HG GLU 7 23.486 0.815 -4.383 424 2HG GLU 7 2HG GLU 7 24.859 -0.275 -4.203 425 H ASN 8 H ASN 8 22.141 -4.072 -5.072 426 HA ASN 8 HA ASN 8 20.038 -3.867 -6.993 427 1HB ASN 8 1HB ASN 8 21.943 -5.784 -6.328 428 2HB ASN 8 2HB ASN 8 20.413 -6.532 -5.879 429 2HD2 ASN 8 2HD2 ASN 8 20.729 -8.052 -7.550 430 1HD2 ASN 8 1HD2 ASN 8 20.415 -7.641 -9.198 431 H GLU 9 H GLU 9 20.206 -5.382 -3.765 432 HA GLU 9 HA GLU 9 17.459 -5.937 -3.560 433 1HB GLU 9 1HB GLU 9 19.566 -6.626 -2.078 434 2HB GLU 9 2HB GLU 9 19.004 -5.277 -1.099 435 1HG GLU 9 1HG GLU 9 18.001 -7.180 -0.178 436 2HG GLU 9 2HG GLU 9 16.733 -6.390 -1.113 437 H ILE 10 H ILE 10 19.262 -3.020 -3.176 438 HA ILE 10 HA ILE 10 17.367 -1.616 -1.586 439 HB ILE 10 HB ILE 10 19.978 -1.141 -2.618 440 1HG1 ILE 10 1HG1 ILE 10 18.883 0.969 -0.939 441 2HG1 ILE 10 2HG1 ILE 10 18.501 -0.643 -0.341 442 1HG2 ILE 10 1HG2 ILE 10 18.916 0.224 -4.385 443 2HG2 ILE 10 2HG2 ILE 10 18.196 1.234 -3.132 444 3HG2 ILE 10 3HG2 ILE 10 19.950 1.159 -3.305 445 1HD1 ILE 10 1HD1 ILE 10 21.225 -0.632 -1.101 446 2HD1 ILE 10 2HD1 ILE 10 20.925 0.805 -0.123 447 3HD1 ILE 10 3HD1 ILE 10 20.530 -0.791 0.513 448 H SER 11 H SER 11 18.106 -1.640 -5.066 449 HA SER 11 HA SER 11 16.099 0.188 -5.820 450 1HB SER 11 1HB SER 11 18.144 -0.816 -7.154 451 2HB SER 11 2HB SER 11 16.948 -2.000 -7.677 452 HG SER 11 HG SER 11 16.446 -0.529 -9.090 453 H HIS 12 H HIS 12 16.027 -3.193 -5.062 454 HA HIS 12 HA HIS 12 13.554 -3.767 -6.352 455 1HB HIS 12 1HB HIS 12 14.346 -5.829 -5.972 456 2HB HIS 12 2HB HIS 12 15.559 -5.204 -4.868 457 HD1 HIS 12 HD1 HIS 12 11.932 -6.345 -4.800 458 HD2 HIS 12 HD2 HIS 12 15.234 -6.013 -2.302 459 HE1 HIS 12 HE1 HIS 12 11.253 -7.442 -2.640 460 HE2 HIS 12 HE2 HIS 12 13.267 -7.230 -1.141 461 H HIS 13 H HIS 13 14.463 -2.900 -3.027 462 HA HIS 13 HA HIS 13 11.865 -3.105 -1.942 463 1HB HIS 13 1HB HIS 13 14.030 -1.220 -1.001 464 2HB HIS 13 2HB HIS 13 12.695 -1.871 -0.058 465 HD1 HIS 13 HD1 HIS 13 13.043 -4.869 -0.854 466 HD2 HIS 13 HD2 HIS 13 16.099 -2.336 0.369 467 HE1 HIS 13 HE1 HIS 13 14.839 -6.375 0.057 468 HE2 HIS 13 HE2 HIS 13 16.685 -4.822 0.786 469 H ALA 14 H ALA 14 13.507 -0.632 -3.762 470 HA ALA 14 HA ALA 14 11.794 1.535 -3.169 471 1HB ALA 14 1HB ALA 14 14.114 1.326 -4.502 472 2HB ALA 14 2HB ALA 14 12.999 1.417 -5.865 473 3HB ALA 14 3HB ALA 14 13.029 2.707 -4.662 474 H LYS 15 H LYS 15 11.851 -0.728 -5.918 475 HA LYS 15 HA LYS 15 9.499 0.252 -7.130 476 1HB LYS 15 1HB LYS 15 11.084 -2.280 -7.351 477 2HB LYS 15 2HB LYS 15 9.509 -2.177 -8.126 478 1HG LYS 15 1HG LYS 15 10.749 0.154 -8.908 479 2HG LYS 15 2HG LYS 15 12.057 -1.030 -8.916 480 1HD LYS 15 1HD LYS 15 11.002 -2.368 -10.502 481 2HD LYS 15 2HD LYS 15 9.416 -1.665 -10.180 482 1HE LYS 15 1HE LYS 15 11.591 0.075 -11.241 483 2HE LYS 15 2HE LYS 15 10.761 -1.024 -12.341 484 1HZ LYS 15 1HZ LYS 15 9.061 0.580 -10.614 485 2HZ LYS 15 2HZ LYS 15 9.907 1.430 -11.807 486 3HZ LYS 15 3HZ LYS 15 8.868 0.167 -12.243 487 H GLU 16 H GLU 16 10.041 -1.776 -4.402 488 HA GLU 16 HA GLU 16 7.495 -3.087 -4.443 489 1HB GLU 16 1HB GLU 16 9.715 -2.853 -2.435 490 2HB GLU 16 2HB GLU 16 8.172 -3.565 -1.984 491 1HG GLU 16 1HG GLU 16 9.472 -4.586 -4.439 492 2HG GLU 16 2HG GLU 16 10.206 -5.004 -2.891 493 H ILE 17 H ILE 17 8.835 -0.209 -2.888 494 HA ILE 17 HA ILE 17 6.564 0.248 -1.223 495 HB ILE 17 HB ILE 17 7.596 2.200 -0.506 496 1HG1 ILE 17 1HG1 ILE 17 9.643 3.040 -2.072 497 2HG1 ILE 17 2HG1 ILE 17 8.553 2.421 -3.305 498 1HG2 ILE 17 1HG2 ILE 17 9.116 -0.082 -0.750 499 2HG2 ILE 17 2HG2 ILE 17 10.194 1.195 -1.315 500 3HG2 ILE 17 3HG2 ILE 17 9.465 1.300 0.286 501 1HD1 ILE 17 1HD1 ILE 17 6.853 3.888 -1.790 502 2HD1 ILE 17 2HD1 ILE 17 8.348 4.811 -1.633 503 3HD1 ILE 17 3HD1 ILE 17 7.681 4.476 -3.232 504 H GLU 18 H GLU 18 7.491 1.268 -4.452 505 HA GLU 18 HA GLU 18 5.375 3.173 -4.740 506 1HB GLU 18 1HB GLU 18 7.052 1.803 -6.851 507 2HB GLU 18 2HB GLU 18 6.016 3.199 -7.114 508 1HG GLU 18 1HG GLU 18 7.418 4.622 -5.933 509 2HG GLU 18 2HG GLU 18 8.221 3.294 -5.097 510 H ARG 19 H ARG 19 5.855 -0.210 -5.608 511 HA ARG 19 HA ARG 19 3.450 -0.481 -7.095 512 1HB ARG 19 1HB ARG 19 5.397 -2.397 -5.859 513 2HB ARG 19 2HB ARG 19 3.866 -2.993 -6.488 514 1HG ARG 19 1HG ARG 19 5.369 -1.233 -8.299 515 2HG ARG 19 2HG ARG 19 6.127 -2.784 -7.938 516 1HD ARG 19 1HD ARG 19 3.568 -3.552 -8.394 517 2HD ARG 19 2HD ARG 19 3.700 -2.172 -9.483 518 HE ARG 19 HE ARG 19 4.920 -3.509 -10.854 519 1HH1 ARG 19 1HH1 ARG 19 5.323 -4.649 -7.589 520 2HH1 ARG 19 2HH1 ARG 19 6.338 -5.978 -8.039 521 1HH2 ARG 19 1HH2 ARG 19 6.257 -5.256 -11.460 522 2HH2 ARG 19 2HH2 ARG 19 6.870 -6.322 -10.241 523 H LEU 20 H LEU 20 4.278 -0.759 -3.708 524 HA LEU 20 HA LEU 20 1.880 -2.044 -2.885 525 1HB LEU 20 1HB LEU 20 4.292 -1.278 -1.694 526 2HB LEU 20 2HB LEU 20 3.062 -0.361 -0.850 527 HG LEU 20 HG LEU 20 3.127 -3.363 -1.148 528 1HD1 LEU 20 1HD1 LEU 20 4.740 -2.034 0.450 529 2HD1 LEU 20 2HD1 LEU 20 3.296 -1.940 1.457 530 3HD1 LEU 20 3HD1 LEU 20 3.939 -3.512 0.982 531 1HD2 LEU 20 1HD2 LEU 20 0.888 -1.881 -0.913 532 2HD2 LEU 20 2HD2 LEU 20 1.074 -3.495 -0.227 533 3HD2 LEU 20 3HD2 LEU 20 1.320 -2.071 0.786 534 H GLN 21 H GLN 21 2.914 1.317 -3.169 535 HA GLN 21 HA GLN 21 0.695 2.511 -1.920 536 1HB GLN 21 1HB GLN 21 2.761 3.736 -2.418 537 2HB GLN 21 2HB GLN 21 2.443 3.586 -4.141 538 1HG GLN 21 1HG GLN 21 0.792 5.162 -4.119 539 2HG GLN 21 2HG GLN 21 0.381 4.868 -2.429 540 2HE2 GLN 21 2HE2 GLN 21 1.887 5.642 -0.810 541 1HE2 GLN 21 1HE2 GLN 21 2.814 7.065 -1.128 542 H LYS 22 H LYS 22 1.299 1.619 -5.294 543 HA LYS 22 HA LYS 22 -1.075 2.688 -6.364 544 1HB LYS 22 1HB LYS 22 0.823 2.034 -7.765 545 2HB LYS 22 2HB LYS 22 0.585 0.348 -7.323 546 1HG LYS 22 1HG LYS 22 -1.879 1.225 -8.318 547 2HG LYS 22 2HG LYS 22 -0.653 1.879 -9.407 548 1HD LYS 22 1HD LYS 22 -0.980 -0.180 -10.357 549 2HD LYS 22 2HD LYS 22 0.321 -0.564 -9.228 550 1HE LYS 22 1HE LYS 22 -1.305 -1.378 -7.610 551 2HE LYS 22 2HE LYS 22 -2.624 -0.950 -8.698 552 1HZ LYS 22 1HZ LYS 22 -0.904 -2.551 -10.155 553 2HZ LYS 22 2HZ LYS 22 -1.054 -3.303 -8.649 554 3HZ LYS 22 3HZ LYS 22 -2.435 -2.964 -9.566 555 H GLU 23 H GLU 23 -0.331 -0.403 -4.865 556 HA GLU 23 HA GLU 23 -2.724 -1.733 -5.558 557 1HB GLU 23 1HB GLU 23 -0.641 -2.828 -4.703 558 2HB GLU 23 2HB GLU 23 -1.021 -2.197 -3.106 559 1HG GLU 23 1HG GLU 23 -2.397 -3.879 -2.698 560 2HG GLU 23 2HG GLU 23 -3.287 -3.584 -4.191 561 H ILE 24 H ILE 24 -1.834 0.303 -2.812 562 HA ILE 24 HA ILE 24 -4.158 -0.165 -1.286 563 HB ILE 24 HB ILE 24 -3.431 1.418 0.186 564 1HG1 ILE 24 1HG1 ILE 24 -1.997 3.454 -0.636 565 2HG1 ILE 24 2HG1 ILE 24 -2.708 3.082 -2.203 566 1HG2 ILE 24 1HG2 ILE 24 -1.430 -0.031 -0.937 567 2HG2 ILE 24 2HG2 ILE 24 -0.786 1.606 -1.041 568 3HG2 ILE 24 3HG2 ILE 24 -1.277 0.951 0.518 569 1HD1 ILE 24 1HD1 ILE 24 -4.787 3.093 -0.273 570 2HD1 ILE 24 2HD1 ILE 24 -3.823 4.558 -0.069 571 3HD1 ILE 24 3HD1 ILE 24 -4.536 4.185 -1.638 572 H GLU 25 H GLU 25 -3.399 2.194 -3.795 573 HA GLU 25 HA GLU 25 -5.728 3.744 -3.621 574 1HB GLU 25 1HB GLU 25 -3.501 3.456 -5.432 575 2HB GLU 25 2HB GLU 25 -4.997 3.637 -6.338 576 1HG GLU 25 1HG GLU 25 -4.630 5.823 -6.091 577 2HG GLU 25 2HG GLU 25 -5.280 5.581 -4.470 578 H ARG 26 H ARG 26 -5.011 0.782 -5.412 579 HA ARG 26 HA ARG 26 -7.339 0.605 -6.930 580 1HB ARG 26 1HB ARG 26 -5.333 -1.332 -5.904 581 2HB ARG 26 2HB ARG 26 -6.867 -1.996 -6.449 582 1HG ARG 26 1HG ARG 26 -5.526 -0.064 -8.242 583 2HG ARG 26 2HG ARG 26 -4.789 -1.658 -8.068 584 1HD ARG 26 1HD ARG 26 -7.353 -2.376 -8.402 585 2HD ARG 26 2HD ARG 26 -7.348 -0.868 -9.316 586 HE ARG 26 HE ARG 26 -5.141 -2.522 -10.017 587 1HH1 ARG 26 1HH1 ARG 26 -8.564 -2.098 -10.494 588 2HH1 ARG 26 2HH1 ARG 26 -8.576 -2.872 -12.043 589 1HH2 ARG 26 1HH2 ARG 26 -5.144 -3.542 -12.057 590 2HH2 ARG 26 2HH2 ARG 26 -6.632 -3.694 -12.932 591 H HIS 27 H HIS 27 -6.663 -0.526 -3.638 592 HA HIS 27 HA HIS 27 -9.201 -1.686 -3.189 593 1HB HIS 27 1HB HIS 27 -6.793 -1.402 -1.757 594 2HB HIS 27 2HB HIS 27 -8.034 -0.648 -0.761 595 HD1 HIS 27 HD1 HIS 27 -9.895 -2.187 0.181 596 HD2 HIS 27 HD2 HIS 27 -6.985 -4.175 -2.022 597 HE1 HIS 27 HE1 HIS 27 -10.234 -4.631 0.668 598 HE2 HIS 27 HE2 HIS 27 -8.462 -5.816 -0.676 599 H LYS 28 H LYS 28 -7.990 1.560 -3.047 600 HA LYS 28 HA LYS 28 -10.141 2.649 -1.507 601 1HB LYS 28 1HB LYS 28 -7.800 3.630 -1.801 602 2HB LYS 28 2HB LYS 28 -8.348 4.186 -3.376 603 1HG LYS 28 1HG LYS 28 -10.339 5.087 -1.751 604 2HG LYS 28 2HG LYS 28 -8.922 5.229 -0.708 605 1HD LYS 28 1HD LYS 28 -8.809 7.249 -1.762 606 2HD LYS 28 2HD LYS 28 -7.873 6.282 -2.902 607 1HE LYS 28 1HE LYS 28 -9.444 6.424 -4.510 608 2HE LYS 28 2HE LYS 28 -10.775 6.294 -3.362 609 1HZ LYS 28 1HZ LYS 28 -9.164 8.760 -3.535 610 2HZ LYS 28 2HZ LYS 28 -10.448 8.492 -4.602 611 3HZ LYS 28 3HZ LYS 28 -10.733 8.559 -2.936 612 H GLN 29 H GLN 29 -9.645 1.873 -4.834 613 HA GLN 29 HA GLN 29 -11.724 3.603 -5.829 614 1HB GLN 29 1HB GLN 29 -9.898 3.086 -7.309 615 2HB GLN 29 2HB GLN 29 -10.156 1.359 -7.105 616 1HG GLN 29 1HG GLN 29 -12.179 1.425 -8.334 617 2HG GLN 29 2HG GLN 29 -12.204 3.188 -8.321 618 2HE2 GLN 29 2HE2 GLN 29 -11.261 4.255 -9.940 619 1HE2 GLN 29 1HE2 GLN 29 -10.310 3.532 -11.188 620 H SER 30 H SER 30 -11.397 0.252 -4.849 621 HA SER 30 HA SER 30 -13.980 -0.531 -5.832 622 1HB SER 30 1HB SER 30 -11.858 -1.829 -4.157 623 2HB SER 30 2HB SER 30 -13.475 -2.533 -4.203 624 HG SER 30 HG SER 30 -13.085 -2.239 -6.642 625 H ILE 31 H ILE 31 -12.639 0.547 -2.770 626 HA ILE 31 HA ILE 31 -15.052 0.057 -1.287 627 HB ILE 31 HB ILE 31 -12.830 0.029 -0.211 628 1HG1 ILE 31 1HG1 ILE 31 -15.213 0.963 0.787 629 2HG1 ILE 31 2HG1 ILE 31 -13.803 0.560 1.750 630 1HG2 ILE 31 1HG2 ILE 31 -11.950 1.944 -1.588 631 2HG2 ILE 31 2HG2 ILE 31 -12.805 3.023 -0.487 632 3HG2 ILE 31 3HG2 ILE 31 -11.529 1.971 0.124 633 1HD1 ILE 31 1HD1 ILE 31 -14.298 3.325 0.695 634 2HD1 ILE 31 2HD1 ILE 31 -14.925 2.758 2.244 635 3HD1 ILE 31 3HD1 ILE 31 -13.184 2.819 1.966 636 H LYS 32 H LYS 32 -13.596 2.756 -2.980 637 HA LYS 32 HA LYS 32 -15.451 4.698 -1.957 638 1HB LYS 32 1HB LYS 32 -14.388 6.258 -3.415 639 2HB LYS 32 2HB LYS 32 -13.123 5.232 -2.756 640 1HG LYS 32 1HG LYS 32 -12.471 5.185 -4.913 641 2HG LYS 32 2HG LYS 32 -13.644 3.869 -4.990 642 1HD LYS 32 1HD LYS 32 -14.775 4.995 -6.537 643 2HD LYS 32 2HD LYS 32 -15.069 6.281 -5.365 644 1HE LYS 32 1HE LYS 32 -13.102 7.444 -6.027 645 2HE LYS 32 2HE LYS 32 -12.547 6.079 -6.996 646 1HZ LYS 32 1HZ LYS 32 -15.048 7.563 -7.575 647 2HZ LYS 32 2HZ LYS 32 -13.558 7.959 -8.270 648 3HZ LYS 32 3HZ LYS 32 -14.256 6.446 -8.568 649 H LYS 33 H LYS 33 -15.261 2.544 -4.685 650 HA LYS 33 HA LYS 33 -17.328 3.797 -6.214 651 1HB LYS 33 1HB LYS 33 -15.715 2.418 -7.357 652 2HB LYS 33 2HB LYS 33 -16.104 1.037 -6.340 653 1HG LYS 33 1HG LYS 33 -17.888 0.472 -7.570 654 2HG LYS 33 2HG LYS 33 -18.383 2.149 -7.806 655 1HD LYS 33 1HD LYS 33 -15.904 1.449 -9.187 656 2HD LYS 33 2HD LYS 33 -17.304 0.521 -9.730 657 1HE LYS 33 1HE LYS 33 -18.376 2.991 -9.638 658 2HE LYS 33 2HE LYS 33 -16.700 3.396 -10.010 659 1HZ LYS 33 1HZ LYS 33 -17.133 1.415 -11.735 660 2HZ LYS 33 2HZ LYS 33 -18.692 2.067 -11.647 661 3HZ LYS 33 3HZ LYS 33 -17.390 3.046 -12.105 662 H LEU 34 H LEU 34 -17.167 1.194 -3.850 663 HA LEU 34 HA LEU 34 -19.845 0.309 -4.155 664 1HB LEU 34 1HB LEU 34 -17.577 -0.328 -2.528 665 2HB LEU 34 2HB LEU 34 -18.979 -0.145 -1.491 666 HG LEU 34 HG LEU 34 -18.858 -1.973 -3.890 667 1HD1 LEU 34 1HD1 LEU 34 -17.342 -2.551 -1.940 668 2HD1 LEU 34 2HD1 LEU 34 -18.815 -2.787 -1.000 669 3HD1 LEU 34 3HD1 LEU 34 -18.511 -3.780 -2.425 670 1HD2 LEU 34 1HD2 LEU 34 -21.069 -0.923 -2.734 671 2HD2 LEU 34 2HD2 LEU 34 -21.010 -2.505 -3.513 672 3HD2 LEU 34 3HD2 LEU 34 -20.843 -2.378 -1.762 673 H LYS 35 H LYS 35 -18.273 2.631 -2.005 674 HA LYS 35 HA LYS 35 -20.513 3.221 -0.409 675 1HB LYS 35 1HB LYS 35 -17.878 3.932 -0.383 676 2HB LYS 35 2HB LYS 35 -18.622 5.429 -0.922 677 1HG LYS 35 1HG LYS 35 -18.244 5.179 1.559 678 2HG LYS 35 2HG LYS 35 -19.866 5.650 1.057 679 1HD LYS 35 1HD LYS 35 -20.791 3.721 1.788 680 2HD LYS 35 2HD LYS 35 -19.392 2.751 1.322 681 1HE LYS 35 1HE LYS 35 -19.919 3.014 3.824 682 2HE LYS 35 2HE LYS 35 -18.252 3.228 3.293 683 1HZ LYS 35 1HZ LYS 35 -20.100 5.518 3.592 684 2HZ LYS 35 2HZ LYS 35 -19.183 4.938 4.890 685 3HZ LYS 35 3HZ LYS 35 -18.411 5.536 3.510 686 H GLN 36 H GLN 36 -19.372 4.534 -3.470 687 HA GLN 36 HA GLN 36 -21.232 6.686 -3.576 688 1HB GLN 36 1HB GLN 36 -19.004 6.028 -4.994 689 2HB GLN 36 2HB GLN 36 -20.265 5.583 -6.136 690 1HG GLN 36 1HG GLN 36 -21.171 7.991 -5.441 691 2HG GLN 36 2HG GLN 36 -19.452 8.243 -5.144 692 2HE2 GLN 36 2HE2 GLN 36 -18.028 8.261 -6.854 693 1HE2 GLN 36 1HE2 GLN 36 -18.543 8.327 -8.502 694 H SER 37 H SER 37 -21.295 3.333 -4.574 695 HA SER 37 HA SER 37 -23.614 3.505 -6.205 696 1HB SER 37 1HB SER 37 -21.738 1.561 -5.702 697 2HB SER 37 2HB SER 37 -23.162 0.924 -4.879 698 HG SER 37 HG SER 37 -24.217 0.796 -6.757 699 H GLU 38 H GLU 38 -23.082 3.221 -2.789 700 HA GLU 38 HA GLU 38 -25.640 2.225 -2.073 701 1HB GLU 38 1HB GLU 38 -23.258 3.151 -0.719 702 2HB GLU 38 2HB GLU 38 -24.703 3.772 0.069 703 1HG GLU 38 1HG GLU 38 -25.562 1.394 0.065 704 2HG GLU 38 2HG GLU 38 -23.933 0.910 -0.406 705 H ASP 39 H ASP 39 -24.385 5.411 -2.747 706 HA ASP 39 HA ASP 39 -26.528 6.883 -1.598 707 1HB ASP 39 1HB ASP 39 -24.180 7.456 -3.276 708 2HB ASP 39 2HB ASP 39 -25.549 8.529 -3.552 709 H ASP 40 H ASP 40 -26.089 5.218 -4.601 710 HA ASP 40 HA ASP 40 -28.273 6.562 -5.935 711 1HB ASP 40 1HB ASP 40 -26.782 4.060 -6.755 712 2HB ASP 40 2HB ASP 40 -27.836 5.033 -7.777 713 H ASP 41 H ASP 41 -29.650 4.607 -7.198 714 HA ASP 41 HA ASP 41 -31.310 3.585 -5.060 715 1HB ASP 41 1HB ASP 41 -31.574 3.779 -8.042 716 2HB ASP 41 2HB ASP 41 -32.645 2.716 -7.134 No H/Q in entry = 716 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 -33.273 -11.086 0.284 2 H2 ALA 1 H2 ALA 1 -33.369 -12.389 -0.831 3 H3 ALA 1 H3 ALA 1 -32.443 -12.551 0.605 4 HA ALA 1 HA ALA 1 -30.826 -12.152 -0.858 5 1HB ALA 1 1HB ALA 1 -31.838 -11.923 -2.897 6 2HB ALA 1 2HB ALA 1 -32.946 -10.673 -2.332 7 3HB ALA 1 3HB ALA 1 -31.259 -10.276 -2.652 8 H LEU 2 H LEU 2 -30.991 -11.129 1.606 9 HA LEU 2 HA LEU 2 -30.960 -8.371 1.935 10 1HB LEU 2 1HB LEU 2 -29.286 -10.395 3.422 11 2HB LEU 2 2HB LEU 2 -29.676 -8.776 3.972 12 HG LEU 2 HG LEU 2 -31.979 -10.530 3.359 13 1HD1 LEU 2 1HD1 LEU 2 -30.027 -11.072 5.567 14 2HD1 LEU 2 2HD1 LEU 2 -31.737 -11.465 5.737 15 3HD1 LEU 2 3HD1 LEU 2 -30.787 -12.206 4.451 16 1HD2 LEU 2 1HD2 LEU 2 -31.263 -8.302 5.168 17 2HD2 LEU 2 2HD2 LEU 2 -32.740 -8.589 4.247 18 3HD2 LEU 2 3HD2 LEU 2 -32.458 -9.458 5.756 19 H LYS 3 H LYS 3 -29.403 -6.795 1.813 20 HA LYS 3 HA LYS 3 -27.080 -7.455 0.165 21 1HB LYS 3 1HB LYS 3 -28.876 -5.269 0.257 22 2HB LYS 3 2HB LYS 3 -27.299 -4.651 0.732 23 1HG LYS 3 1HG LYS 3 -27.350 -4.368 -1.574 24 2HG LYS 3 2HG LYS 3 -26.410 -5.845 -1.350 25 1HD LYS 3 1HD LYS 3 -29.353 -6.090 -1.707 26 2HD LYS 3 2HD LYS 3 -28.372 -5.698 -3.120 27 1HE LYS 3 1HE LYS 3 -27.044 -7.777 -1.759 28 2HE LYS 3 2HE LYS 3 -28.748 -8.222 -1.821 29 1HZ LYS 3 1HZ LYS 3 -28.048 -7.221 -4.325 30 2HZ LYS 3 2HZ LYS 3 -26.841 -8.319 -3.880 31 3HZ LYS 3 3HZ LYS 3 -28.460 -8.811 -3.921 32 H LYS 4 H LYS 4 -27.250 -8.075 3.052 33 HA LYS 4 HA LYS 4 -25.659 -6.261 4.526 34 1HB LYS 4 1HB LYS 4 -25.473 -8.016 6.173 35 2HB LYS 4 2HB LYS 4 -27.114 -7.998 5.542 36 1HG LYS 4 1HG LYS 4 -26.907 -10.171 5.177 37 2HG LYS 4 2HG LYS 4 -25.744 -9.784 3.907 38 1HD LYS 4 1HD LYS 4 -24.551 -9.694 6.552 39 2HD LYS 4 2HD LYS 4 -25.258 -11.272 6.194 40 1HE LYS 4 1HE LYS 4 -24.019 -10.956 3.905 41 2HE LYS 4 2HE LYS 4 -23.029 -9.832 4.833 42 1HZ LYS 4 1HZ LYS 4 -23.146 -12.005 6.437 43 2HZ LYS 4 2HZ LYS 4 -23.086 -12.705 4.898 44 3HZ LYS 4 3HZ LYS 4 -21.870 -11.638 5.390 45 H HIS 5 H HIS 5 -24.901 -8.914 2.380 46 HA HIS 5 HA HIS 5 -22.235 -9.357 3.102 47 1HB HIS 5 1HB HIS 5 -21.983 -10.206 0.749 48 2HB HIS 5 2HB HIS 5 -23.329 -10.909 1.639 49 HD1 HIS 5 HD1 HIS 5 -25.364 -11.090 0.264 50 HD2 HIS 5 HD2 HIS 5 -23.045 -7.829 -0.856 51 HE1 HIS 5 HE1 HIS 5 -26.584 -10.027 -1.661 52 HE2 HIS 5 HE2 HIS 5 -25.163 -8.054 -2.323 53 H HIS 6 H HIS 6 -23.715 -6.873 1.135 54 HA HIS 6 HA HIS 6 -21.377 -5.907 -0.114 55 1HB HIS 6 1HB HIS 6 -24.142 -5.182 0.017 56 2HB HIS 6 2HB HIS 6 -23.170 -3.743 0.307 57 HD1 HIS 6 HD1 HIS 6 -22.126 -6.506 -2.032 58 HD2 HIS 6 HD2 HIS 6 -23.559 -2.608 -2.180 59 HE1 HIS 6 HE1 HIS 6 -21.914 -5.803 -4.438 60 HE2 HIS 6 HE2 HIS 6 -22.787 -3.440 -4.505 61 H GLU 7 H GLU 7 -23.149 -4.628 2.710 62 HA GLU 7 HA GLU 7 -21.408 -2.611 3.416 63 1HB GLU 7 1HB GLU 7 -23.556 -2.879 4.507 64 2HB GLU 7 2HB GLU 7 -23.046 -4.407 5.214 65 1HG GLU 7 1HG GLU 7 -21.323 -2.125 5.854 66 2HG GLU 7 2HG GLU 7 -22.969 -2.011 6.474 67 H ASN 8 H ASN 8 -21.004 -6.030 3.722 68 HA ASN 8 HA ASN 8 -18.961 -5.989 5.707 69 1HB ASN 8 1HB ASN 8 -20.253 -7.982 3.999 70 2HB ASN 8 2HB ASN 8 -18.535 -8.293 4.235 71 2HD2 ASN 8 2HD2 ASN 8 -19.097 -10.167 5.409 72 1HD2 ASN 8 1HD2 ASN 8 -19.633 -10.063 7.048 73 H GLU 9 H GLU 9 -18.808 -6.588 2.190 74 HA GLU 9 HA GLU 9 -16.029 -6.501 1.965 75 1HB GLU 9 1HB GLU 9 -18.317 -6.198 0.105 76 2HB GLU 9 2HB GLU 9 -16.777 -5.558 -0.449 77 1HG GLU 9 1HG GLU 9 -17.420 -8.385 0.333 78 2HG GLU 9 2HG GLU 9 -16.962 -7.775 -1.257 79 H ILE 10 H ILE 10 -18.307 -3.980 2.484 80 HA ILE 10 HA ILE 10 -16.774 -1.833 1.432 81 HB ILE 10 HB ILE 10 -19.365 -2.178 2.468 82 1HG1 ILE 10 1HG1 ILE 10 -18.700 0.581 1.844 83 2HG1 ILE 10 2HG1 ILE 10 -18.024 -0.552 0.678 84 1HG2 ILE 10 1HG2 ILE 10 -18.613 -1.506 4.693 85 2HG2 ILE 10 2HG2 ILE 10 -17.974 -0.003 4.025 86 3HG2 ILE 10 3HG2 ILE 10 -19.710 -0.317 3.991 87 1HD1 ILE 10 1HD1 ILE 10 -20.721 -1.287 1.248 88 2HD1 ILE 10 2HD1 ILE 10 -20.651 0.424 0.825 89 3HD1 ILE 10 3HD1 ILE 10 -19.999 -0.786 -0.281 90 H SER 11 H SER 11 -17.330 -3.009 4.750 91 HA SER 11 HA SER 11 -15.587 -1.192 6.009 92 1HB SER 11 1HB SER 11 -17.390 -2.768 7.029 93 2HB SER 11 2HB SER 11 -16.084 -3.952 7.089 94 HG SER 11 HG SER 11 -15.942 -2.921 8.995 95 H HIS 12 H HIS 12 -15.020 -4.169 4.312 96 HA HIS 12 HA HIS 12 -12.409 -4.609 5.393 97 1HB HIS 12 1HB HIS 12 -12.904 -6.636 4.576 98 2HB HIS 12 2HB HIS 12 -14.245 -5.990 3.648 99 HD1 HIS 12 HD1 HIS 12 -10.495 -6.501 3.307 100 HD2 HIS 12 HD2 HIS 12 -13.903 -6.121 0.963 101 HE1 HIS 12 HE1 HIS 12 -9.743 -6.959 0.950 102 HE2 HIS 12 HE2 HIS 12 -11.822 -6.725 -0.454 103 H HIS 13 H HIS 13 -13.673 -3.158 2.406 104 HA HIS 13 HA HIS 13 -11.146 -2.664 1.233 105 1HB HIS 13 1HB HIS 13 -13.686 -1.076 0.816 106 2HB HIS 13 2HB HIS 13 -12.299 -1.147 -0.262 107 HD1 HIS 13 HD1 HIS 13 -12.065 -4.350 -0.037 108 HD2 HIS 13 HD2 HIS 13 -15.422 -2.126 -1.050 109 HE1 HIS 13 HE1 HIS 13 -13.519 -5.905 -1.380 110 HE2 HIS 13 HE2 HIS 13 -15.550 -4.539 -1.980 111 H ALA 14 H ALA 14 -12.970 -1.066 3.705 112 HA ALA 14 HA ALA 14 -11.678 1.467 3.546 113 1HB ALA 14 1HB ALA 14 -13.877 0.569 4.839 114 2HB ALA 14 2HB ALA 14 -13.049 2.077 5.230 115 3HB ALA 14 3HB ALA 14 -12.718 0.621 6.168 116 H LYS 15 H LYS 15 -11.318 -1.284 5.782 117 HA LYS 15 HA LYS 15 -9.011 -0.214 7.055 118 1HB LYS 15 1HB LYS 15 -10.672 -2.560 7.290 119 2HB LYS 15 2HB LYS 15 -8.974 -3.014 7.349 120 1HG LYS 15 1HG LYS 15 -9.912 -2.595 9.573 121 2HG LYS 15 2HG LYS 15 -8.590 -1.492 9.185 122 1HD LYS 15 1HD LYS 15 -10.364 0.159 8.451 123 2HD LYS 15 2HD LYS 15 -11.546 -0.921 9.193 124 1HE LYS 15 1HE LYS 15 -9.533 -0.586 11.104 125 2HE LYS 15 2HE LYS 15 -9.806 1.018 10.424 126 1HZ LYS 15 1HZ LYS 15 -11.912 -0.757 11.536 127 2HZ LYS 15 2HZ LYS 15 -11.245 0.585 12.321 128 3HZ LYS 15 3HZ LYS 15 -12.154 0.796 10.911 129 H GLU 16 H GLU 16 -9.496 -1.734 4.044 130 HA GLU 16 HA GLU 16 -6.837 -2.843 3.849 131 1HB GLU 16 1HB GLU 16 -9.286 -2.840 2.197 132 2HB GLU 16 2HB GLU 16 -7.772 -2.894 1.306 133 1HG GLU 16 1HG GLU 16 -8.748 -4.842 3.375 134 2HG GLU 16 2HG GLU 16 -8.513 -5.128 1.651 135 H ILE 17 H ILE 17 -8.558 0.043 2.789 136 HA ILE 17 HA ILE 17 -6.410 0.943 1.094 137 HB ILE 17 HB ILE 17 -8.657 1.659 0.579 138 1HG1 ILE 17 1HG1 ILE 17 -6.618 3.203 0.253 139 2HG1 ILE 17 2HG1 ILE 17 -8.220 3.912 0.102 140 1HG2 ILE 17 1HG2 ILE 17 -8.647 2.888 3.326 141 2HG2 ILE 17 2HG2 ILE 17 -9.847 3.256 2.086 142 3HG2 ILE 17 3HG2 ILE 17 -9.704 1.615 2.715 143 1HD1 ILE 17 1HD1 ILE 17 -7.367 4.121 2.814 144 2HD1 ILE 17 2HD1 ILE 17 -6.099 4.732 1.752 145 3HD1 ILE 17 3HD1 ILE 17 -7.728 5.401 1.656 146 H GLU 18 H GLU 18 -7.447 1.478 4.406 147 HA GLU 18 HA GLU 18 -5.524 3.566 4.882 148 1HB GLU 18 1HB GLU 18 -7.794 2.512 6.227 149 2HB GLU 18 2HB GLU 18 -6.423 2.362 7.317 150 1HG GLU 18 1HG GLU 18 -7.404 4.443 7.784 151 2HG GLU 18 2HG GLU 18 -5.944 4.792 6.859 152 H ARG 19 H ARG 19 -5.788 0.105 5.497 153 HA ARG 19 HA ARG 19 -3.358 -0.055 7.000 154 1HB ARG 19 1HB ARG 19 -5.231 -1.698 7.192 155 2HB ARG 19 2HB ARG 19 -4.841 -2.274 5.577 156 1HG ARG 19 1HG ARG 19 -2.439 -2.347 7.013 157 2HG ARG 19 2HG ARG 19 -3.676 -2.990 8.095 158 1HD ARG 19 1HD ARG 19 -4.411 -4.463 6.186 159 2HD ARG 19 2HD ARG 19 -2.959 -3.946 5.332 160 HE ARG 19 HE ARG 19 -2.467 -5.009 7.963 161 1HH1 ARG 19 1HH1 ARG 19 -2.839 -5.746 4.581 162 2HH1 ARG 19 2HH1 ARG 19 -1.940 -7.224 4.671 163 1HH2 ARG 19 1HH2 ARG 19 -1.281 -6.954 8.094 164 2HH2 ARG 19 2HH2 ARG 19 -1.055 -7.911 6.668 165 H LEU 20 H LEU 20 -4.217 -0.146 3.642 166 HA LEU 20 HA LEU 20 -1.801 -1.367 2.724 167 1HB LEU 20 1HB LEU 20 -4.099 0.051 1.455 168 2HB LEU 20 2HB LEU 20 -2.617 -0.116 0.535 169 HG LEU 20 HG LEU 20 -3.932 -2.509 1.784 170 1HD1 LEU 20 1HD1 LEU 20 -5.192 -0.895 -0.084 171 2HD1 LEU 20 2HD1 LEU 20 -4.470 -2.189 -1.041 172 3HD1 LEU 20 3HD1 LEU 20 -5.570 -2.579 0.282 173 1HD2 LEU 20 1HD2 LEU 20 -1.551 -2.487 0.843 174 2HD2 LEU 20 2HD2 LEU 20 -2.644 -3.752 0.282 175 3HD2 LEU 20 3HD2 LEU 20 -2.318 -2.352 -0.739 176 H GLN 21 H GLN 21 -2.973 1.950 3.084 177 HA GLN 21 HA GLN 21 -0.786 3.252 1.898 178 1HB GLN 21 1HB GLN 21 -2.936 4.354 2.421 179 2HB GLN 21 2HB GLN 21 -2.566 4.240 4.136 180 1HG GLN 21 1HG GLN 21 -1.292 6.058 4.086 181 2HG GLN 21 2HG GLN 21 -0.440 5.521 2.639 182 2HE2 GLN 21 2HE2 GLN 21 -3.489 6.944 3.722 183 1HE2 GLN 21 1HE2 GLN 21 -3.745 7.910 2.313 184 H LYS 22 H LYS 22 -1.403 2.305 5.265 185 HA LYS 22 HA LYS 22 0.943 3.437 6.347 186 1HB LYS 22 1HB LYS 22 -1.215 2.395 7.474 187 2HB LYS 22 2HB LYS 22 -0.217 0.948 7.519 188 1HG LYS 22 1HG LYS 22 -0.130 2.282 9.597 189 2HG LYS 22 2HG LYS 22 1.446 2.061 8.836 190 1HD LYS 22 1HD LYS 22 0.077 4.450 7.900 191 2HD LYS 22 2HD LYS 22 0.342 4.462 9.645 192 1HE LYS 22 1HE LYS 22 2.676 3.524 8.211 193 2HE LYS 22 2HE LYS 22 2.183 5.130 7.673 194 1HZ LYS 22 1HZ LYS 22 2.002 5.397 10.321 195 2HZ LYS 22 2HZ LYS 22 3.277 4.288 10.221 196 3HZ LYS 22 3HZ LYS 22 3.390 5.780 9.433 197 H GLU 23 H GLU 23 0.268 0.331 4.854 198 HA GLU 23 HA GLU 23 2.685 -0.948 5.573 199 1HB GLU 23 1HB GLU 23 0.489 -1.439 3.648 200 2HB GLU 23 2HB GLU 23 2.026 -2.211 3.284 201 1HG GLU 23 1HG GLU 23 1.908 -3.611 5.065 202 2HG GLU 23 2HG GLU 23 0.999 -2.464 6.048 203 H ILE 24 H ILE 24 1.777 1.113 2.865 204 HA ILE 24 HA ILE 24 4.103 0.638 1.322 205 HB ILE 24 HB ILE 24 3.342 2.179 -0.174 206 1HG1 ILE 24 1HG1 ILE 24 1.881 4.205 0.603 207 2HG1 ILE 24 2HG1 ILE 24 2.574 3.868 2.187 208 1HG2 ILE 24 1HG2 ILE 24 1.420 0.651 0.782 209 2HG2 ILE 24 2HG2 ILE 24 0.725 2.211 1.217 210 3HG2 ILE 24 3HG2 ILE 24 1.113 1.859 -0.465 211 1HD1 ILE 24 1HD1 ILE 24 4.679 3.881 0.287 212 2HD1 ILE 24 2HD1 ILE 24 4.393 4.989 1.630 213 3HD1 ILE 24 3HD1 ILE 24 3.696 5.328 0.046 214 H GLU 25 H GLU 25 3.288 3.023 3.789 215 HA GLU 25 HA GLU 25 5.563 4.635 3.596 216 1HB GLU 25 1HB GLU 25 3.320 4.462 5.271 217 2HB GLU 25 2HB GLU 25 4.707 4.318 6.341 218 1HG GLU 25 1HG GLU 25 5.242 6.416 4.520 219 2HG GLU 25 2HG GLU 25 3.612 6.645 5.148 220 H ARG 26 H ARG 26 4.964 1.701 5.493 221 HA ARG 26 HA ARG 26 7.347 1.623 6.929 222 1HB ARG 26 1HB ARG 26 5.331 -0.371 6.066 223 2HB ARG 26 2HB ARG 26 6.902 -1.009 6.531 224 1HG ARG 26 1HG ARG 26 5.186 -0.916 8.354 225 2HG ARG 26 2HG ARG 26 6.720 -0.119 8.715 226 1HD ARG 26 1HD ARG 26 5.804 2.002 8.543 227 2HD ARG 26 2HD ARG 26 4.453 1.449 7.556 228 HE ARG 26 HE ARG 26 3.293 0.956 9.473 229 1HH1 ARG 26 1HH1 ARG 26 6.644 1.490 10.254 230 2HH1 ARG 26 2HH1 ARG 26 6.380 1.484 11.966 231 1HH2 ARG 26 1HH2 ARG 26 2.933 0.946 11.725 232 2HH2 ARG 26 2HH2 ARG 26 4.269 1.174 12.803 233 H HIS 27 H HIS 27 6.590 0.216 3.752 234 HA HIS 27 HA HIS 27 9.149 -0.854 3.266 235 1HB HIS 27 1HB HIS 27 6.696 -0.381 1.731 236 2HB HIS 27 2HB HIS 27 8.160 -0.281 0.760 237 HD1 HIS 27 HD1 HIS 27 9.486 -2.452 0.386 238 HD2 HIS 27 HD2 HIS 27 6.106 -2.933 2.755 239 HE1 HIS 27 HE1 HIS 27 9.137 -4.936 0.564 240 HE2 HIS 27 HE2 HIS 27 7.086 -5.206 2.002 241 H LYS 28 H LYS 28 7.876 2.354 3.034 242 HA LYS 28 HA LYS 28 9.889 3.386 1.283 243 1HB LYS 28 1HB LYS 28 7.535 4.337 1.767 244 2HB LYS 28 2HB LYS 28 8.274 5.047 3.197 245 1HG LYS 28 1HG LYS 28 9.539 5.487 0.535 246 2HG LYS 28 2HG LYS 28 8.097 6.405 0.977 247 1HD LYS 28 1HD LYS 28 10.274 6.261 2.983 248 2HD LYS 28 2HD LYS 28 10.572 7.238 1.542 249 1HE LYS 28 1HE LYS 28 8.024 7.970 2.274 250 2HE LYS 28 2HE LYS 28 8.830 7.744 3.826 251 1HZ LYS 28 1HZ LYS 28 10.586 9.245 3.067 252 2HZ LYS 28 2HZ LYS 28 9.762 9.491 1.612 253 3HZ LYS 28 3HZ LYS 28 9.076 10.007 3.068 254 H GLN 29 H GLN 29 9.546 2.969 4.726 255 HA GLN 29 HA GLN 29 11.703 4.706 5.446 256 1HB GLN 29 1HB GLN 29 9.707 3.866 6.894 257 2HB GLN 29 2HB GLN 29 10.722 2.458 7.175 258 1HG GLN 29 1HG GLN 29 12.061 3.553 8.585 259 2HG GLN 29 2HG GLN 29 12.092 5.004 7.584 260 2HE2 GLN 29 2HE2 GLN 29 11.100 6.725 8.350 261 1HE2 GLN 29 1HE2 GLN 29 9.897 6.738 9.590 262 H SER 30 H SER 30 11.351 1.291 4.732 263 HA SER 30 HA SER 30 13.976 0.568 5.613 264 1HB SER 30 1HB SER 30 11.722 -0.855 5.032 265 2HB SER 30 2HB SER 30 12.691 -1.151 3.589 266 HG SER 30 HG SER 30 12.918 -2.328 5.915 267 H ILE 31 H ILE 31 12.504 1.370 2.501 268 HA ILE 31 HA ILE 31 14.871 0.843 0.982 269 HB ILE 31 HB ILE 31 12.730 0.699 -0.105 270 1HG1 ILE 31 1HG1 ILE 31 13.076 2.441 -1.973 271 2HG1 ILE 31 2HG1 ILE 31 14.499 2.941 -1.066 272 1HG2 ILE 31 1HG2 ILE 31 12.076 2.926 1.406 273 2HG2 ILE 31 2HG2 ILE 31 12.069 3.511 -0.258 274 3HG2 ILE 31 3HG2 ILE 31 11.062 2.136 0.198 275 1HD1 ILE 31 1HD1 ILE 31 15.353 0.630 -1.224 276 2HD1 ILE 31 2HD1 ILE 31 13.962 0.224 -2.228 277 3HD1 ILE 31 3HD1 ILE 31 15.140 1.408 -2.792 278 H LYS 32 H LYS 32 13.618 3.550 2.748 279 HA LYS 32 HA LYS 32 15.298 5.508 1.473 280 1HB LYS 32 1HB LYS 32 13.171 6.196 2.430 281 2HB LYS 32 2HB LYS 32 13.669 5.625 4.017 282 1HG LYS 32 1HG LYS 32 15.662 7.407 3.243 283 2HG LYS 32 2HG LYS 32 14.147 8.162 2.742 284 1HD LYS 32 1HD LYS 32 14.140 6.953 5.428 285 2HD LYS 32 2HD LYS 32 15.190 8.358 5.229 286 1HE LYS 32 1HE LYS 32 13.365 9.714 4.512 287 2HE LYS 32 2HE LYS 32 12.297 8.316 4.391 288 1HZ LYS 32 1HZ LYS 32 13.320 8.440 6.998 289 2HZ LYS 32 2HZ LYS 32 12.725 9.972 6.599 290 3HZ LYS 32 3HZ LYS 32 11.716 8.619 6.490 291 H LYS 33 H LYS 33 15.402 3.535 4.382 292 HA LYS 33 HA LYS 33 17.763 4.815 5.413 293 1HB LYS 33 1HB LYS 33 16.163 3.805 6.948 294 2HB LYS 33 2HB LYS 33 16.395 2.234 6.193 295 1HG LYS 33 1HG LYS 33 17.871 1.870 7.819 296 2HG LYS 33 2HG LYS 33 18.947 2.920 6.895 297 1HD LYS 33 1HD LYS 33 18.989 4.345 8.599 298 2HD LYS 33 2HD LYS 33 17.251 4.590 8.420 299 1HE LYS 33 1HE LYS 33 17.839 2.095 9.758 300 2HE LYS 33 2HE LYS 33 18.571 3.463 10.596 301 1HZ LYS 33 1HZ LYS 33 16.068 4.338 9.999 302 2HZ LYS 33 2HZ LYS 33 15.812 2.714 10.396 303 3HZ LYS 33 3HZ LYS 33 16.573 3.745 11.501 304 H LEU 34 H LEU 34 17.032 2.142 3.327 305 HA LEU 34 HA LEU 34 19.651 0.956 3.503 306 1HB LEU 34 1HB LEU 34 17.106 0.342 2.227 307 2HB LEU 34 2HB LEU 34 18.471 0.013 1.179 308 HG LEU 34 HG LEU 34 18.472 -1.030 3.986 309 1HD1 LEU 34 1HD1 LEU 34 16.301 -1.592 2.719 310 2HD1 LEU 34 2HD1 LEU 34 17.329 -2.619 1.721 311 3HD1 LEU 34 3HD1 LEU 34 17.213 -2.908 3.456 312 1HD2 LEU 34 1HD2 LEU 34 20.394 -1.070 2.174 313 2HD2 LEU 34 2HD2 LEU 34 20.116 -2.434 3.255 314 3HD2 LEU 34 3HD2 LEU 34 19.500 -2.478 1.603 315 H LYS 35 H LYS 35 18.010 3.274 1.468 316 HA LYS 35 HA LYS 35 20.012 3.264 -0.591 317 1HB LYS 35 1HB LYS 35 18.778 5.053 -1.582 318 2HB LYS 35 2HB LYS 35 17.608 3.905 -0.945 319 1HG LYS 35 1HG LYS 35 17.165 5.313 0.943 320 2HG LYS 35 2HG LYS 35 18.464 6.414 0.480 321 1HD LYS 35 1HD LYS 35 16.230 5.853 -1.427 322 2HD LYS 35 2HD LYS 35 15.994 7.001 -0.108 323 1HE LYS 35 1HE LYS 35 17.962 8.259 -0.881 324 2HE LYS 35 2HE LYS 35 18.145 7.127 -2.219 325 1HZ LYS 35 1HZ LYS 35 15.505 8.129 -2.157 326 2HZ LYS 35 2HZ LYS 35 16.596 9.421 -2.153 327 3HZ LYS 35 3HZ LYS 35 16.663 8.261 -3.383 328 H GLN 36 H GLN 36 19.334 5.152 2.294 329 HA GLN 36 HA GLN 36 21.351 7.125 1.740 330 1HB GLN 36 1HB GLN 36 19.272 7.493 3.145 331 2HB GLN 36 2HB GLN 36 20.054 6.546 4.403 332 1HG GLN 36 1HG GLN 36 20.757 8.547 5.118 333 2HG GLN 36 2HG GLN 36 21.993 8.338 3.880 334 2HE2 GLN 36 2HE2 GLN 36 19.198 10.079 4.863 335 1HE2 GLN 36 1HE2 GLN 36 19.189 11.228 3.572 336 H SER 37 H SER 37 21.170 4.085 3.431 337 HA SER 37 HA SER 37 23.659 4.413 4.828 338 1HB SER 37 1HB SER 37 21.670 2.898 5.483 339 2HB SER 37 2HB SER 37 22.322 1.768 4.297 340 HG SER 37 HG SER 37 23.612 1.169 5.833 341 H GLU 38 H GLU 38 22.645 3.229 1.730 342 HA GLU 38 HA GLU 38 25.016 1.733 1.162 343 1HB GLU 38 1HB GLU 38 22.501 2.055 -0.023 344 2HB GLU 38 2HB GLU 38 23.642 2.694 -1.198 345 1HG GLU 38 1HG GLU 38 24.865 0.382 -0.455 346 2HG GLU 38 2HG GLU 38 23.162 -0.059 -0.341 347 H ASP 39 H ASP 39 24.040 5.054 0.848 348 HA ASP 39 HA ASP 39 26.055 5.821 -1.020 349 1HB ASP 39 1HB ASP 39 23.831 7.046 0.226 350 2HB ASP 39 2HB ASP 39 25.239 8.019 0.641 351 H ASP 40 H ASP 40 25.959 5.360 2.407 352 HA ASP 40 HA ASP 40 28.379 6.876 2.895 353 1HB ASP 40 1HB ASP 40 26.647 6.853 4.611 354 2HB ASP 40 2HB ASP 40 26.742 5.098 4.715 355 H ASP 41 H ASP 41 27.388 3.513 2.597 356 HA ASP 41 HA ASP 41 28.590 1.619 2.196 357 1HB ASP 41 1HB ASP 41 30.000 3.438 0.857 358 2HB ASP 41 2HB ASP 41 31.192 3.071 2.101 359 H1 ALA 1 H1 ALA 1 33.274 -11.086 -0.291 360 H2 ALA 1 H2 ALA 1 33.369 -12.389 0.823 361 H3 ALA 1 H3 ALA 1 32.443 -12.551 -0.613 362 HA ALA 1 HA ALA 1 30.826 -12.152 0.851 363 1HB ALA 1 1HB ALA 1 32.946 -10.675 2.325 364 2HB ALA 1 2HB ALA 1 31.838 -11.925 2.890 365 3HB ALA 1 3HB ALA 1 31.259 -10.278 2.645 366 H LEU 2 H LEU 2 30.991 -11.127 -1.613 367 HA LEU 2 HA LEU 2 30.960 -8.369 -1.941 368 1HB LEU 2 1HB LEU 2 29.286 -10.392 -3.430 369 2HB LEU 2 2HB LEU 2 29.676 -8.774 -3.978 370 HG LEU 2 HG LEU 2 31.979 -10.528 -3.366 371 1HD1 LEU 2 1HD1 LEU 2 30.027 -11.068 -5.574 372 2HD1 LEU 2 2HD1 LEU 2 31.738 -11.461 -5.745 373 3HD1 LEU 2 3HD1 LEU 2 30.787 -12.203 -4.459 374 1HD2 LEU 2 1HD2 LEU 2 31.263 -8.298 -5.173 375 2HD2 LEU 2 2HD2 LEU 2 32.740 -8.587 -4.253 376 3HD2 LEU 2 3HD2 LEU 2 32.458 -9.454 -5.762 377 H LYS 3 H LYS 3 29.403 -6.793 -1.818 378 HA LYS 3 HA LYS 3 27.081 -7.455 -0.169 379 1HB LYS 3 1HB LYS 3 28.876 -5.269 -0.260 380 2HB LYS 3 2HB LYS 3 27.300 -4.651 -0.735 381 1HG LYS 3 1HG LYS 3 27.350 -4.368 1.571 382 2HG LYS 3 2HG LYS 3 26.410 -5.845 1.346 383 1HD LYS 3 1HD LYS 3 29.353 -6.091 1.702 384 2HD LYS 3 2HD LYS 3 28.372 -5.700 3.116 385 1HE LYS 3 1HE LYS 3 27.045 -7.778 1.754 386 2HE LYS 3 2HE LYS 3 28.749 -8.223 1.816 387 1HZ LYS 3 1HZ LYS 3 28.048 -7.223 4.321 388 2HZ LYS 3 2HZ LYS 3 26.841 -8.321 3.875 389 3HZ LYS 3 3HZ LYS 3 28.460 -8.813 3.914 390 H LYS 4 H LYS 4 27.250 -8.072 -3.057 391 HA LYS 4 HA LYS 4 25.659 -6.258 -4.530 392 1HB LYS 4 1HB LYS 4 25.473 -8.012 -6.179 393 2HB LYS 4 2HB LYS 4 27.114 -7.994 -5.548 394 1HG LYS 4 1HG LYS 4 26.907 -10.167 -5.184 395 2HG LYS 4 2HG LYS 4 25.745 -9.782 -3.914 396 1HD LYS 4 1HD LYS 4 24.551 -9.690 -6.558 397 2HD LYS 4 2HD LYS 4 25.258 -11.267 -6.202 398 1HE LYS 4 1HE LYS 4 24.019 -10.954 -3.912 399 2HE LYS 4 2HE LYS 4 23.029 -9.828 -4.839 400 1HZ LYS 4 1HZ LYS 4 23.146 -12.001 -6.446 401 2HZ LYS 4 2HZ LYS 4 23.086 -12.701 -4.906 402 3HZ LYS 4 3HZ LYS 4 21.870 -11.633 -5.397 403 H HIS 5 H HIS 5 24.901 -8.912 -2.386 404 HA HIS 5 HA HIS 5 22.235 -9.355 -3.108 405 1HB HIS 5 1HB HIS 5 21.983 -10.206 -0.755 406 2HB HIS 5 2HB HIS 5 23.329 -10.907 -1.646 407 HD1 HIS 5 HD1 HIS 5 25.364 -11.090 -0.271 408 HD2 HIS 5 HD2 HIS 5 23.045 -7.829 0.849 409 HE1 HIS 5 HE1 HIS 5 26.584 -10.028 1.655 410 HE2 HIS 5 HE2 HIS 5 25.162 -8.056 2.318 411 H HIS 6 H HIS 6 23.715 -6.873 -1.140 412 HA HIS 6 HA HIS 6 21.377 -5.907 0.110 413 1HB HIS 6 1HB HIS 6 24.142 -5.182 -0.022 414 2HB HIS 6 2HB HIS 6 23.170 -3.743 -0.309 415 HD1 HIS 6 HD1 HIS 6 22.127 -6.508 2.028 416 HD2 HIS 6 HD2 HIS 6 23.559 -2.610 2.178 417 HE1 HIS 6 HE1 HIS 6 21.914 -5.805 4.434 418 HE2 HIS 6 HE2 HIS 6 22.788 -3.442 4.502 419 H GLU 7 H GLU 7 23.149 -4.626 -2.713 420 HA GLU 7 HA GLU 7 21.408 -2.609 -3.419 421 1HB GLU 7 1HB GLU 7 23.556 -2.876 -4.510 422 2HB GLU 7 2HB GLU 7 23.045 -4.403 -5.217 423 1HG GLU 7 1HG GLU 7 21.322 -2.121 -5.855 424 2HG GLU 7 2HG GLU 7 22.969 -2.006 -6.475 425 H ASN 8 H ASN 8 21.004 -6.028 -3.726 426 HA ASN 8 HA ASN 8 18.961 -5.985 -5.711 427 1HB ASN 8 1HB ASN 8 20.253 -7.980 -4.004 428 2HB ASN 8 2HB ASN 8 18.535 -8.291 -4.242 429 2HD2 ASN 8 2HD2 ASN 8 19.097 -10.163 -5.416 430 1HD2 ASN 8 1HD2 ASN 8 19.633 -10.059 -7.055 431 H GLU 9 H GLU 9 18.808 -6.586 -2.195 432 HA GLU 9 HA GLU 9 16.029 -6.498 -1.970 433 1HB GLU 9 1HB GLU 9 18.317 -6.198 -0.109 434 2HB GLU 9 2HB GLU 9 16.777 -5.557 0.446 435 1HG GLU 9 1HG GLU 9 17.420 -8.384 -0.338 436 2HG GLU 9 2HG GLU 9 16.963 -7.775 1.251 437 H ILE 10 H ILE 10 18.307 -3.978 -2.487 438 HA ILE 10 HA ILE 10 16.774 -1.832 -1.434 439 HB ILE 10 HB ILE 10 19.365 -2.176 -2.469 440 1HG1 ILE 10 1HG1 ILE 10 18.700 0.583 -1.844 441 2HG1 ILE 10 2HG1 ILE 10 18.024 -0.552 -0.678 442 1HG2 ILE 10 1HG2 ILE 10 18.613 -1.502 -4.694 443 2HG2 ILE 10 2HG2 ILE 10 17.974 -0.001 -4.025 444 3HG2 ILE 10 3HG2 ILE 10 19.710 -0.315 -3.991 445 1HD1 ILE 10 1HD1 ILE 10 20.721 -1.287 -1.249 446 2HD1 ILE 10 2HD1 ILE 10 20.651 0.424 -0.825 447 3HD1 ILE 10 3HD1 ILE 10 19.999 -0.786 0.281 448 H SER 11 H SER 11 17.330 -3.005 -4.752 449 HA SER 11 HA SER 11 15.588 -1.188 -6.009 450 1HB SER 11 1HB SER 11 17.390 -2.763 -7.031 451 2HB SER 11 2HB SER 11 16.085 -3.947 -7.091 452 HG SER 11 HG SER 11 15.942 -2.914 -8.997 453 H HIS 12 H HIS 12 15.020 -4.167 -4.314 454 HA HIS 12 HA HIS 12 12.409 -4.605 -5.396 455 1HB HIS 12 1HB HIS 12 12.905 -6.633 -4.580 456 2HB HIS 12 2HB HIS 12 14.246 -5.988 -3.652 457 HD1 HIS 12 HD1 HIS 12 10.495 -6.499 -3.311 458 HD2 HIS 12 HD2 HIS 12 13.903 -6.121 -0.967 459 HE1 HIS 12 HE1 HIS 12 9.742 -6.959 -0.956 460 HE2 HIS 12 HE2 HIS 12 11.822 -6.725 0.448 461 H HIS 13 H HIS 13 13.673 -3.156 -2.408 462 HA HIS 13 HA HIS 13 11.146 -2.664 -1.235 463 1HB HIS 13 1HB HIS 13 13.686 -1.076 -0.818 464 2HB HIS 13 2HB HIS 13 12.298 -1.147 0.261 465 HD1 HIS 13 HD1 HIS 13 12.065 -4.350 0.035 466 HD2 HIS 13 HD2 HIS 13 15.422 -2.127 1.049 467 HE1 HIS 13 HE1 HIS 13 13.518 -5.905 1.376 468 HE2 HIS 13 HE2 HIS 13 15.550 -4.541 1.978 469 H ALA 14 H ALA 14 12.970 -1.063 -3.705 470 HA ALA 14 HA ALA 14 11.678 1.469 -3.545 471 1HB ALA 14 1HB ALA 14 13.877 0.573 -4.838 472 2HB ALA 14 2HB ALA 14 12.719 0.625 -6.167 473 3HB ALA 14 3HB ALA 14 13.049 2.081 -5.228 474 H LYS 15 H LYS 15 11.318 -1.280 -5.784 475 HA LYS 15 HA LYS 15 9.011 -0.209 -7.056 476 1HB LYS 15 1HB LYS 15 10.671 -2.556 -7.293 477 2HB LYS 15 2HB LYS 15 8.974 -3.009 -7.352 478 1HG LYS 15 1HG LYS 15 9.912 -2.589 -9.575 479 2HG LYS 15 2HG LYS 15 8.590 -1.485 -9.186 480 1HD LYS 15 1HD LYS 15 10.364 0.165 -8.451 481 2HD LYS 15 2HD LYS 15 11.546 -0.914 -9.193 482 1HE LYS 15 1HE LYS 15 9.533 -0.578 -11.104 483 2HE LYS 15 2HE LYS 15 9.806 1.025 -10.423 484 1HZ LYS 15 1HZ LYS 15 11.912 -0.749 -11.537 485 2HZ LYS 15 2HZ LYS 15 11.245 0.593 -12.320 486 3HZ LYS 15 3HZ LYS 15 12.155 0.804 -10.911 487 H GLU 16 H GLU 16 9.496 -1.732 -4.045 488 HA GLU 16 HA GLU 16 6.837 -2.841 -3.851 489 1HB GLU 16 1HB GLU 16 9.286 -2.838 -2.197 490 2HB GLU 16 2HB GLU 16 7.772 -2.894 -1.307 491 1HG GLU 16 1HG GLU 16 8.748 -4.840 -3.378 492 2HG GLU 16 2HG GLU 16 8.513 -5.126 -1.655 493 H ILE 17 H ILE 17 8.558 0.045 -2.789 494 HA ILE 17 HA ILE 17 6.410 0.943 -1.093 495 HB ILE 17 HB ILE 17 8.657 1.659 -0.578 496 1HG1 ILE 17 1HG1 ILE 17 6.618 3.203 -0.251 497 2HG1 ILE 17 2HG1 ILE 17 8.221 3.912 -0.099 498 1HG2 ILE 17 1HG2 ILE 17 8.647 2.890 -3.324 499 2HG2 ILE 17 2HG2 ILE 17 9.847 3.258 -2.084 500 3HG2 ILE 17 3HG2 ILE 17 9.704 1.617 -2.714 501 1HD1 ILE 17 1HD1 ILE 17 7.367 4.123 -2.811 502 2HD1 ILE 17 2HD1 ILE 17 6.098 4.734 -1.748 503 3HD1 ILE 17 3HD1 ILE 17 7.728 5.403 -1.653 504 H GLU 18 H GLU 18 7.447 1.480 -4.405 505 HA GLU 18 HA GLU 18 5.524 3.571 -4.880 506 1HB GLU 18 1HB GLU 18 7.794 2.516 -6.226 507 2HB GLU 18 2HB GLU 18 6.423 2.366 -7.315 508 1HG GLU 18 1HG GLU 18 7.404 4.449 -7.781 509 2HG GLU 18 2HG GLU 18 5.944 4.796 -6.856 510 H ARG 19 H ARG 19 5.788 0.109 -5.497 511 HA ARG 19 HA ARG 19 3.358 -0.051 -7.000 512 1HB ARG 19 1HB ARG 19 5.231 -1.694 -7.193 513 2HB ARG 19 2HB ARG 19 4.841 -2.270 -5.578 514 1HG ARG 19 1HG ARG 19 2.439 -2.342 -7.015 515 2HG ARG 19 2HG ARG 19 3.676 -2.983 -8.097 516 1HD ARG 19 1HD ARG 19 4.411 -4.459 -6.189 517 2HD ARG 19 2HD ARG 19 2.958 -3.942 -5.334 518 HE ARG 19 HE ARG 19 2.467 -5.003 -7.967 519 1HH1 ARG 19 1HH1 ARG 19 2.840 -5.743 -4.585 520 2HH1 ARG 19 2HH1 ARG 19 1.941 -7.220 -4.675 521 1HH2 ARG 19 1HH2 ARG 19 1.281 -6.947 -8.099 522 2HH2 ARG 19 2HH2 ARG 19 1.054 -7.906 -6.673 523 H LEU 20 H LEU 20 4.217 -0.144 -3.642 524 HA LEU 20 HA LEU 20 1.801 -1.364 -2.725 525 1HB LEU 20 1HB LEU 20 4.099 0.052 -1.455 526 2HB LEU 20 2HB LEU 20 2.617 -0.116 -0.535 527 HG LEU 20 HG LEU 20 3.932 -2.507 -1.786 528 1HD1 LEU 20 1HD1 LEU 20 5.192 -0.895 0.083 529 2HD1 LEU 20 2HD1 LEU 20 4.470 -2.189 1.039 530 3HD1 LEU 20 3HD1 LEU 20 5.570 -2.579 -0.284 531 1HD2 LEU 20 1HD2 LEU 20 1.551 -2.487 -0.845 532 2HD2 LEU 20 2HD2 LEU 20 2.644 -3.752 -0.284 533 3HD2 LEU 20 3HD2 LEU 20 2.318 -2.352 0.738 534 H GLN 21 H GLN 21 2.973 1.952 -3.082 535 HA GLN 21 HA GLN 21 0.786 3.254 -1.896 536 1HB GLN 21 1HB GLN 21 2.936 4.356 -2.418 537 2HB GLN 21 2HB GLN 21 2.566 4.242 -4.134 538 1HG GLN 21 1HG GLN 21 1.292 6.060 -4.082 539 2HG GLN 21 2HG GLN 21 0.440 5.523 -2.635 540 2HE2 GLN 21 2HE2 GLN 21 3.489 6.946 -3.718 541 1HE2 GLN 21 1HE2 GLN 21 3.745 7.912 -2.308 542 H LYS 22 H LYS 22 1.402 2.309 -5.263 543 HA LYS 22 HA LYS 22 -0.943 3.441 -6.345 544 1HB LYS 22 1HB LYS 22 1.215 2.400 -7.473 545 2HB LYS 22 2HB LYS 22 0.217 0.953 -7.518 546 1HG LYS 22 1HG LYS 22 0.130 2.288 -9.596 547 2HG LYS 22 2HG LYS 22 -1.446 2.068 -8.834 548 1HD LYS 22 1HD LYS 22 -0.077 4.456 -7.898 549 2HD LYS 22 2HD LYS 22 -0.342 4.468 -9.642 550 1HE LYS 22 1HE LYS 22 -2.676 3.531 -8.209 551 2HE LYS 22 2HE LYS 22 -2.183 5.135 -7.670 552 1HZ LYS 22 1HZ LYS 22 -2.002 5.403 -10.317 553 2HZ LYS 22 2HZ LYS 22 -3.277 4.294 -10.218 554 3HZ LYS 22 3HZ LYS 22 -3.390 5.786 -9.429 555 H GLU 23 H GLU 23 -0.268 0.335 -4.853 556 HA GLU 23 HA GLU 23 -2.685 -0.944 -5.574 557 1HB GLU 23 1HB GLU 23 -0.489 -1.437 -3.648 558 2HB GLU 23 2HB GLU 23 -2.025 -2.209 -3.286 559 1HG GLU 23 1HG GLU 23 -1.908 -3.607 -5.067 560 2HG GLU 23 2HG GLU 23 -0.999 -2.460 -6.050 561 H ILE 24 H ILE 24 -1.777 1.115 -2.864 562 HA ILE 24 HA ILE 24 -4.103 0.638 -1.322 563 HB ILE 24 HB ILE 24 -3.342 2.179 0.176 564 1HG1 ILE 24 1HG1 ILE 24 -1.881 4.205 -0.600 565 2HG1 ILE 24 2HG1 ILE 24 -2.574 3.870 -2.184 566 1HG2 ILE 24 1HG2 ILE 24 -1.420 0.651 -0.782 567 2HG2 ILE 24 2HG2 ILE 24 -0.725 2.211 -1.216 568 3HG2 ILE 24 3HG2 ILE 24 -1.113 1.859 0.466 569 1HD1 ILE 24 1HD1 ILE 24 -4.679 3.881 -0.283 570 2HD1 ILE 24 2HD1 ILE 24 -3.696 5.328 -0.043 571 3HD1 ILE 24 3HD1 ILE 24 -4.393 4.990 -1.627 572 H GLU 25 H GLU 25 -3.288 3.026 -3.786 573 HA GLU 25 HA GLU 25 -5.563 4.638 -3.593 574 1HB GLU 25 1HB GLU 25 -3.320 4.466 -5.267 575 2HB GLU 25 2HB GLU 25 -4.707 4.322 -6.338 576 1HG GLU 25 1HG GLU 25 -5.242 6.418 -4.515 577 2HG GLU 25 2HG GLU 25 -3.611 6.649 -5.144 578 H ARG 26 H ARG 26 -4.964 1.705 -5.492 579 HA ARG 26 HA ARG 26 -7.347 1.628 -6.928 580 1HB ARG 26 1HB ARG 26 -5.331 -0.367 -6.066 581 2HB ARG 26 2HB ARG 26 -6.902 -1.005 -6.532 582 1HG ARG 26 1HG ARG 26 -5.186 -0.910 -8.355 583 2HG ARG 26 2HG ARG 26 -6.720 -0.113 -8.715 584 1HD ARG 26 1HD ARG 26 -5.805 2.008 -8.543 585 2HD ARG 26 2HD ARG 26 -4.453 1.453 -7.555 586 HE ARG 26 HE ARG 26 -3.293 0.962 -9.472 587 1HH1 ARG 26 1HH1 ARG 26 -6.644 1.497 -10.254 588 2HH1 ARG 26 2HH1 ARG 26 -6.380 1.492 -11.965 589 1HH2 ARG 26 1HH2 ARG 26 -2.934 0.954 -11.725 590 2HH2 ARG 26 2HH2 ARG 26 -4.269 1.183 -12.802 591 H HIS 27 H HIS 27 -6.590 0.218 -3.752 592 HA HIS 27 HA HIS 27 -9.150 -0.852 -3.267 593 1HB HIS 27 1HB HIS 27 -6.696 -0.379 -1.731 594 2HB HIS 27 2HB HIS 27 -8.161 -0.281 -0.760 595 HD1 HIS 27 HD1 HIS 27 -9.486 -2.452 -0.388 596 HD2 HIS 27 HD2 HIS 27 -6.106 -2.931 -2.757 597 HE1 HIS 27 HE1 HIS 27 -9.137 -4.936 -0.567 598 HE2 HIS 27 HE2 HIS 27 -7.085 -5.204 -2.006 599 H LYS 28 H LYS 28 -7.876 2.356 -3.033 600 HA LYS 28 HA LYS 28 -9.889 3.386 -1.281 601 1HB LYS 28 1HB LYS 28 -7.536 4.339 -1.766 602 2HB LYS 28 2HB LYS 28 -8.274 5.050 -3.194 603 1HG LYS 28 1HG LYS 28 -9.538 5.487 -0.531 604 2HG LYS 28 2HG LYS 28 -8.097 6.405 -0.973 605 1HD LYS 28 1HD LYS 28 -10.274 6.263 -2.977 606 2HD LYS 28 2HD LYS 28 -10.572 7.239 -1.538 607 1HE LYS 28 1HE LYS 28 -8.024 7.972 -2.268 608 2HE LYS 28 2HE LYS 28 -8.829 7.746 -3.820 609 1HZ LYS 28 1HZ LYS 28 -10.586 9.247 -3.061 610 2HZ LYS 28 2HZ LYS 28 -9.762 9.492 -1.604 611 3HZ LYS 28 3HZ LYS 28 -9.076 10.009 -3.061 612 H GLN 29 H GLN 29 -9.546 2.972 -4.724 613 HA GLN 29 HA GLN 29 -11.703 4.710 -5.443 614 1HB GLN 29 1HB GLN 29 -9.707 3.870 -6.890 615 2HB GLN 29 2HB GLN 29 -10.722 2.462 -7.174 616 1HG GLN 29 1HG GLN 29 -12.061 3.559 -8.583 617 2HG GLN 29 2HG GLN 29 -12.092 5.008 -7.581 618 2HE2 GLN 29 2HE2 GLN 29 -11.100 6.731 -8.346 619 1HE2 GLN 29 1HE2 GLN 29 -9.897 6.744 -9.586 620 H SER 30 H SER 30 -11.351 1.294 -4.731 621 HA SER 30 HA SER 30 -13.976 0.572 -5.613 622 1HB SER 30 1HB SER 30 -11.722 -0.851 -5.033 623 2HB SER 30 2HB SER 30 -12.691 -1.149 -3.590 624 HG SER 30 HG SER 30 -12.918 -2.324 -5.917 625 H ILE 31 H ILE 31 -12.504 1.373 -2.501 626 HA ILE 31 HA ILE 31 -14.871 0.844 -0.981 627 HB ILE 31 HB ILE 31 -12.730 0.699 0.106 628 1HG1 ILE 31 1HG1 ILE 31 -13.076 2.439 1.975 629 2HG1 ILE 31 2HG1 ILE 31 -14.499 2.941 1.069 630 1HG2 ILE 31 1HG2 ILE 31 -12.076 2.926 -1.403 631 2HG2 ILE 31 2HG2 ILE 31 -12.069 3.511 0.261 632 3HG2 ILE 31 3HG2 ILE 31 -11.062 2.136 -0.196 633 1HD1 ILE 31 1HD1 ILE 31 -15.353 0.630 1.225 634 2HD1 ILE 31 2HD1 ILE 31 -13.962 0.222 2.228 635 3HD1 ILE 31 3HD1 ILE 31 -15.140 1.406 2.793 636 H LYS 32 H LYS 32 -13.618 3.553 -2.746 637 HA LYS 32 HA LYS 32 -15.298 5.508 -1.470 638 1HB LYS 32 1HB LYS 32 -13.171 6.198 -2.426 639 2HB LYS 32 2HB LYS 32 -13.669 5.628 -4.013 640 1HG LYS 32 1HG LYS 32 -15.662 7.410 -3.238 641 2HG LYS 32 2HG LYS 32 -14.147 8.164 -2.737 642 1HD LYS 32 1HD LYS 32 -14.139 6.957 -5.424 643 2HD LYS 32 2HD LYS 32 -15.189 8.362 -5.224 644 1HE LYS 32 1HE LYS 32 -13.366 9.716 -4.506 645 2HE LYS 32 2HE LYS 32 -12.297 8.319 -4.386 646 1HZ LYS 32 1HZ LYS 32 -13.320 8.444 -6.993 647 2HZ LYS 32 2HZ LYS 32 -12.725 9.976 -6.592 648 3HZ LYS 32 3HZ LYS 32 -11.716 8.623 -6.485 649 H LYS 33 H LYS 33 -15.402 3.538 -4.380 650 HA LYS 33 HA LYS 33 -17.763 4.820 -5.410 651 1HB LYS 33 1HB LYS 33 -16.163 3.810 -6.946 652 2HB LYS 33 2HB LYS 33 -16.395 2.239 -6.191 653 1HG LYS 33 1HG LYS 33 -17.871 1.876 -7.818 654 2HG LYS 33 2HG LYS 33 -18.947 2.924 -6.893 655 1HD LYS 33 1HD LYS 33 -18.989 4.351 -8.596 656 2HD LYS 33 2HD LYS 33 -17.251 4.596 -8.417 657 1HE LYS 33 1HE LYS 33 -17.838 2.102 -9.757 658 2HE LYS 33 2HE LYS 33 -18.571 3.469 -10.594 659 1HZ LYS 33 1HZ LYS 33 -16.068 4.344 -9.997 660 2HZ LYS 33 2HZ LYS 33 -15.812 2.720 -10.395 661 3HZ LYS 33 3HZ LYS 33 -16.573 3.753 -11.499 662 H LEU 34 H LEU 34 -17.032 2.144 -3.325 663 HA LEU 34 HA LEU 34 -19.651 0.958 -3.502 664 1HB LEU 34 1HB LEU 34 -17.106 0.344 -2.227 665 2HB LEU 34 2HB LEU 34 -18.471 0.013 -1.179 666 HG LEU 34 HG LEU 34 -18.472 -1.028 -3.986 667 1HD1 LEU 34 1HD1 LEU 34 -16.301 -1.589 -2.720 668 2HD1 LEU 34 2HD1 LEU 34 -17.329 -2.618 -1.722 669 3HD1 LEU 34 3HD1 LEU 34 -17.213 -2.906 -3.458 670 1HD2 LEU 34 1HD2 LEU 34 -20.394 -1.068 -2.174 671 2HD2 LEU 34 2HD2 LEU 34 -20.116 -2.432 -3.257 672 3HD2 LEU 34 3HD2 LEU 34 -19.500 -2.478 -1.605 673 H LYS 35 H LYS 35 -18.010 3.274 -1.466 674 HA LYS 35 HA LYS 35 -20.012 3.264 0.593 675 1HB LYS 35 1HB LYS 35 -18.778 5.051 1.585 676 2HB LYS 35 2HB LYS 35 -17.608 3.905 0.947 677 1HG LYS 35 1HG LYS 35 -17.165 5.314 -0.940 678 2HG LYS 35 2HG LYS 35 -18.464 6.414 -0.476 679 1HD LYS 35 1HD LYS 35 -16.230 5.852 1.431 680 2HD LYS 35 2HD LYS 35 -15.994 7.001 0.112 681 1HE LYS 35 1HE LYS 35 -17.962 8.259 0.886 682 2HE LYS 35 2HE LYS 35 -18.145 7.125 2.224 683 1HZ LYS 35 1HZ LYS 35 -15.505 8.127 2.163 684 2HZ LYS 35 2HZ LYS 35 -16.596 9.419 2.160 685 3HZ LYS 35 3HZ LYS 35 -16.662 8.259 3.389 686 H GLN 36 H GLN 36 -19.334 5.154 -2.291 687 HA GLN 36 HA GLN 36 -21.351 7.127 -1.735 688 1HB GLN 36 1HB GLN 36 -19.272 7.495 -3.140 689 2HB GLN 36 2HB GLN 36 -20.054 6.549 -4.399 690 1HG GLN 36 1HG GLN 36 -20.757 8.551 -5.112 691 2HG GLN 36 2HG GLN 36 -21.994 8.340 -3.873 692 2HE2 GLN 36 2HE2 GLN 36 -19.198 10.083 -4.856 693 1HE2 GLN 36 1HE2 GLN 36 -19.189 11.230 -3.565 694 H SER 37 H SER 37 -21.170 4.088 -3.428 695 HA SER 37 HA SER 37 -23.659 4.417 -4.825 696 1HB SER 37 1HB SER 37 -21.669 2.902 -5.480 697 2HB SER 37 2HB SER 37 -22.322 1.770 -4.296 698 HG SER 37 HG SER 37 -23.612 1.174 -5.833 699 H GLU 38 H GLU 38 -22.645 3.230 -1.728 700 HA GLU 38 HA GLU 38 -25.016 1.733 -1.161 701 1HB GLU 38 1HB GLU 38 -22.501 2.054 0.025 702 2HB GLU 38 2HB GLU 38 -23.642 2.694 1.200 703 1HG GLU 38 1HG GLU 38 -24.865 0.382 0.456 704 2HG GLU 38 2HG GLU 38 -23.163 -0.059 0.341 705 H ASP 39 H ASP 39 -24.040 5.054 -0.844 706 HA ASP 39 HA ASP 39 -26.055 5.821 1.024 707 1HB ASP 39 1HB ASP 39 -23.831 7.046 -0.221 708 2HB ASP 39 2HB ASP 39 -25.239 8.019 -0.636 709 H ASP 40 H ASP 40 -25.959 5.362 -2.403 710 HA ASP 40 HA ASP 40 -28.379 6.878 -2.890 711 1HB ASP 40 1HB ASP 40 -26.647 6.856 -4.607 712 2HB ASP 40 2HB ASP 40 -26.742 5.100 -4.712 713 H ASP 41 H ASP 41 -27.388 3.515 -2.594 714 HA ASP 41 HA ASP 41 -28.590 1.621 -2.195 715 1HB ASP 41 1HB ASP 41 -30.000 3.438 -0.855 716 2HB ASP 41 2HB ASP 41 -31.192 3.073 -2.099 No H/Q in entry = 716 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -33.807 -8.731 -1.567 2 H2 ALA 1 H2 ALA 1 -33.185 -7.747 -2.829 3 H3 ALA 1 H3 ALA 1 -33.393 -9.430 -3.079 4 HA ALA 1 HA ALA 1 -31.648 -9.999 -1.785 5 1HB ALA 1 1HB ALA 1 -30.223 -7.599 -2.490 6 2HB ALA 1 2HB ALA 1 -30.082 -9.225 -3.156 7 3HB ALA 1 3HB ALA 1 -31.283 -8.107 -3.804 8 H LEU 2 H LEU 2 -30.066 -9.528 -0.136 9 HA LEU 2 HA LEU 2 -31.142 -7.706 1.882 10 1HB LEU 2 1HB LEU 2 -28.848 -9.542 2.403 11 2HB LEU 2 2HB LEU 2 -30.112 -9.004 3.492 12 HG LEU 2 HG LEU 2 -31.351 -10.534 1.445 13 1HD1 LEU 2 1HD1 LEU 2 -28.802 -11.346 1.457 14 2HD1 LEU 2 2HD1 LEU 2 -29.421 -12.321 2.790 15 3HD1 LEU 2 3HD1 LEU 2 -30.162 -12.440 1.194 16 1HD2 LEU 2 1HD2 LEU 2 -31.793 -10.131 4.003 17 2HD2 LEU 2 2HD2 LEU 2 -32.316 -11.622 3.216 18 3HD2 LEU 2 3HD2 LEU 2 -30.837 -11.602 4.177 19 H LYS 3 H LYS 3 -28.361 -8.195 -0.153 20 HA LYS 3 HA LYS 3 -26.434 -7.020 -0.469 21 1HB LYS 3 1HB LYS 3 -28.622 -5.192 -0.355 22 2HB LYS 3 2HB LYS 3 -27.227 -4.423 0.390 23 1HG LYS 3 1HG LYS 3 -26.196 -4.150 -1.567 24 2HG LYS 3 2HG LYS 3 -26.590 -5.784 -2.106 25 1HD LYS 3 1HD LYS 3 -29.026 -4.648 -2.243 26 2HD LYS 3 2HD LYS 3 -28.014 -3.235 -2.556 27 1HE LYS 3 1HE LYS 3 -28.056 -5.836 -4.077 28 2HE LYS 3 2HE LYS 3 -28.561 -4.249 -4.656 29 1HZ LYS 3 1HZ LYS 3 -25.983 -3.880 -3.846 30 2HZ LYS 3 2HZ LYS 3 -25.947 -5.406 -4.574 31 3HZ LYS 3 3HZ LYS 3 -26.505 -4.066 -5.444 32 H LYS 4 H LYS 4 -26.998 -8.105 2.255 33 HA LYS 4 HA LYS 4 -25.864 -6.256 4.128 34 1HB LYS 4 1HB LYS 4 -27.453 -8.261 4.574 35 2HB LYS 4 2HB LYS 4 -25.985 -9.228 4.550 36 1HG LYS 4 1HG LYS 4 -25.105 -8.130 6.435 37 2HG LYS 4 2HG LYS 4 -26.293 -6.829 6.327 38 1HD LYS 4 1HD LYS 4 -27.947 -8.927 6.582 39 2HD LYS 4 2HD LYS 4 -26.546 -9.550 7.457 40 1HE LYS 4 1HE LYS 4 -28.049 -8.428 8.988 41 2HE LYS 4 2HE LYS 4 -26.541 -7.524 8.850 42 1HZ LYS 4 1HZ LYS 4 -28.857 -6.825 7.167 43 2HZ LYS 4 2HZ LYS 4 -28.757 -6.259 8.757 44 3HZ LYS 4 3HZ LYS 4 -27.553 -5.856 7.640 45 H HIS 5 H HIS 5 -24.681 -9.065 2.328 46 HA HIS 5 HA HIS 5 -22.145 -9.252 3.482 47 1HB HIS 5 1HB HIS 5 -21.500 -10.304 1.259 48 2HB HIS 5 2HB HIS 5 -22.861 -11.041 2.098 49 HD1 HIS 5 HD1 HIS 5 -24.571 -11.711 0.458 50 HD2 HIS 5 HD2 HIS 5 -22.748 -8.131 -0.604 51 HE1 HIS 5 HE1 HIS 5 -25.712 -10.978 -1.660 52 HE2 HIS 5 HE2 HIS 5 -24.592 -8.808 -2.286 53 H HIS 6 H HIS 6 -23.446 -6.972 1.231 54 HA HIS 6 HA HIS 6 -21.058 -6.061 0.050 55 1HB HIS 6 1HB HIS 6 -23.797 -5.386 -0.060 56 2HB HIS 6 2HB HIS 6 -22.944 -3.910 0.383 57 HD1 HIS 6 HD1 HIS 6 -21.289 -6.400 -1.857 58 HD2 HIS 6 HD2 HIS 6 -23.355 -2.807 -2.162 59 HE1 HIS 6 HE1 HIS 6 -20.924 -5.613 -4.218 60 HE2 HIS 6 HE2 HIS 6 -22.184 -3.437 -4.381 61 H GLU 7 H GLU 7 -22.708 -5.175 3.038 62 HA GLU 7 HA GLU 7 -21.114 -2.932 3.663 63 1HB GLU 7 1HB GLU 7 -22.874 -4.765 5.255 64 2HB GLU 7 2HB GLU 7 -21.869 -3.582 6.081 65 1HG GLU 7 1HG GLU 7 -23.014 -2.004 4.234 66 2HG GLU 7 2HG GLU 7 -24.285 -3.208 4.442 67 H ASN 8 H ASN 8 -20.599 -6.343 3.942 68 HA ASN 8 HA ASN 8 -18.511 -6.227 5.885 69 1HB ASN 8 1HB ASN 8 -20.010 -8.247 4.785 70 2HB ASN 8 2HB ASN 8 -18.446 -8.492 4.013 71 2HD2 ASN 8 2HD2 ASN 8 -20.194 -9.620 6.393 72 1HD2 ASN 8 1HD2 ASN 8 -18.986 -9.968 7.579 73 H GLU 9 H GLU 9 -18.491 -6.780 2.359 74 HA GLU 9 HA GLU 9 -15.692 -6.668 2.076 75 1HB GLU 9 1HB GLU 9 -17.911 -7.064 0.390 76 2HB GLU 9 2HB GLU 9 -17.043 -5.688 -0.276 77 1HG GLU 9 1HG GLU 9 -16.256 -7.705 -1.306 78 2HG GLU 9 2HG GLU 9 -14.980 -7.029 -0.295 79 H ILE 10 H ILE 10 -18.091 -4.217 2.436 80 HA ILE 10 HA ILE 10 -16.588 -2.069 1.321 81 HB ILE 10 HB ILE 10 -19.214 -2.461 2.399 82 1HG1 ILE 10 1HG1 ILE 10 -18.774 0.145 1.240 83 2HG1 ILE 10 2HG1 ILE 10 -17.939 -1.104 0.320 84 1HG2 ILE 10 1HG2 ILE 10 -18.233 -1.228 4.400 85 2HG2 ILE 10 2HG2 ILE 10 -18.127 0.173 3.337 86 3HG2 ILE 10 3HG2 ILE 10 -19.693 -0.562 3.675 87 1HD1 ILE 10 1HD1 ILE 10 -20.731 -1.668 1.095 88 2HD1 ILE 10 2HD1 ILE 10 -20.470 -0.421 -0.124 89 3HD1 ILE 10 3HD1 ILE 10 -19.860 -2.054 -0.389 90 H SER 11 H SER 11 -17.160 -3.238 4.626 91 HA SER 11 HA SER 11 -15.595 -1.255 5.904 92 1HB SER 11 1HB SER 11 -16.765 -3.886 6.695 93 2HB SER 11 2HB SER 11 -15.506 -3.195 7.720 94 HG SER 11 HG SER 11 -17.190 -2.193 8.535 95 H HIS 12 H HIS 12 -14.815 -4.196 4.253 96 HA HIS 12 HA HIS 12 -12.212 -4.472 5.429 97 1HB HIS 12 1HB HIS 12 -12.547 -6.554 4.669 98 2HB HIS 12 2HB HIS 12 -13.938 -6.033 3.736 99 HD1 HIS 12 HD1 HIS 12 -10.151 -6.177 3.349 100 HD2 HIS 12 HD2 HIS 12 -13.622 -6.356 1.072 101 HE1 HIS 12 HE1 HIS 12 -9.392 -6.696 1.008 102 HE2 HIS 12 HE2 HIS 12 -11.509 -6.802 -0.355 103 H HIS 13 H HIS 13 -13.520 -3.131 2.420 104 HA HIS 13 HA HIS 13 -11.002 -2.570 1.240 105 1HB HIS 13 1HB HIS 13 -13.562 -1.043 0.766 106 2HB HIS 13 2HB HIS 13 -12.191 -1.193 -0.323 107 HD1 HIS 13 HD1 HIS 13 -12.004 -4.386 0.115 108 HD2 HIS 13 HD2 HIS 13 -15.324 -2.173 -1.034 109 HE1 HIS 13 HE1 HIS 13 -13.497 -6.003 -1.106 110 HE2 HIS 13 HE2 HIS 13 -15.504 -4.642 -1.794 111 H ALA 14 H ALA 14 -12.959 -0.977 3.623 112 HA ALA 14 HA ALA 14 -11.740 1.590 3.445 113 1HB ALA 14 1HB ALA 14 -13.799 0.351 4.999 114 2HB ALA 14 2HB ALA 14 -13.479 2.067 4.746 115 3HB ALA 14 3HB ALA 14 -12.693 1.210 6.071 116 H LYS 15 H LYS 15 -11.392 -1.053 5.816 117 HA LYS 15 HA LYS 15 -9.121 0.126 7.068 118 1HB LYS 15 1HB LYS 15 -10.848 -1.792 7.824 119 2HB LYS 15 2HB LYS 15 -9.532 -2.809 7.252 120 1HG LYS 15 1HG LYS 15 -8.058 -2.030 8.864 121 2HG LYS 15 2HG LYS 15 -9.006 -0.573 9.166 122 1HD LYS 15 1HD LYS 15 -10.835 -2.190 9.983 123 2HD LYS 15 2HD LYS 15 -9.542 -3.388 10.055 124 1HE LYS 15 1HE LYS 15 -8.808 -2.555 11.980 125 2HE LYS 15 2HE LYS 15 -8.683 -0.941 11.281 126 1HZ LYS 15 1HZ LYS 15 -11.149 -0.767 11.683 127 2HZ LYS 15 2HZ LYS 15 -11.020 -2.166 12.624 128 3HZ LYS 15 3HZ LYS 15 -10.176 -0.768 13.067 129 H GLU 16 H GLU 16 -9.535 -1.524 4.136 130 HA GLU 16 HA GLU 16 -6.883 -2.672 4.065 131 1HB GLU 16 1HB GLU 16 -8.739 -3.845 2.975 132 2HB GLU 16 2HB GLU 16 -9.007 -2.463 1.923 133 1HG GLU 16 1HG GLU 16 -7.802 -3.821 0.546 134 2HG GLU 16 2HG GLU 16 -6.511 -2.857 1.262 135 H ILE 17 H ILE 17 -8.565 0.180 2.888 136 HA ILE 17 HA ILE 17 -6.421 0.977 1.133 137 HB ILE 17 HB ILE 17 -8.653 1.717 0.606 138 1HG1 ILE 17 1HG1 ILE 17 -6.597 3.225 0.225 139 2HG1 ILE 17 2HG1 ILE 17 -8.192 3.949 0.062 140 1HG2 ILE 17 1HG2 ILE 17 -8.614 2.932 3.351 141 2HG2 ILE 17 2HG2 ILE 17 -9.752 3.445 2.104 142 3HG2 ILE 17 3HG2 ILE 17 -9.761 1.777 2.673 143 1HD1 ILE 17 1HD1 ILE 17 -7.321 4.226 2.762 144 2HD1 ILE 17 2HD1 ILE 17 -6.052 4.792 1.675 145 3HD1 ILE 17 3HD1 ILE 17 -7.673 5.477 1.569 146 H GLU 18 H GLU 18 -7.451 1.719 4.419 147 HA GLU 18 HA GLU 18 -5.476 3.770 4.798 148 1HB GLU 18 1HB GLU 18 -7.773 2.960 6.142 149 2HB GLU 18 2HB GLU 18 -6.468 2.537 7.242 150 1HG GLU 18 1HG GLU 18 -6.511 5.245 6.001 151 2HG GLU 18 2HG GLU 18 -7.592 4.886 7.347 152 H ARG 19 H ARG 19 -5.766 0.336 5.515 153 HA ARG 19 HA ARG 19 -3.349 0.184 7.030 154 1HB ARG 19 1HB ARG 19 -5.128 -1.459 7.339 155 2HB ARG 19 2HB ARG 19 -4.964 -1.980 5.668 156 1HG ARG 19 1HG ARG 19 -3.558 -3.531 6.389 157 2HG ARG 19 2HG ARG 19 -2.411 -2.234 6.729 158 1HD ARG 19 1HD ARG 19 -4.081 -2.163 8.909 159 2HD ARG 19 2HD ARG 19 -3.974 -3.887 8.557 160 HE ARG 19 HE ARG 19 -1.407 -2.667 8.541 161 1HH1 ARG 19 1HH1 ARG 19 -3.916 -3.829 10.658 162 2HH1 ARG 19 2HH1 ARG 19 -2.834 -4.164 11.969 163 1HH2 ARG 19 1HH2 ARG 19 0.026 -3.104 10.260 164 2HH2 ARG 19 2HH2 ARG 19 -0.593 -3.752 11.743 165 H LEU 20 H LEU 20 -4.182 -0.051 3.652 166 HA LEU 20 HA LEU 20 -1.740 -1.268 2.815 167 1HB LEU 20 1HB LEU 20 -4.084 -0.027 1.502 168 2HB LEU 20 2HB LEU 20 -2.589 0.012 0.594 169 HG LEU 20 HG LEU 20 -4.175 -1.944 0.169 170 1HD1 LEU 20 1HD1 LEU 20 -1.273 -2.353 0.849 171 2HD1 LEU 20 2HD1 LEU 20 -2.263 -3.551 0.016 172 3HD1 LEU 20 3HD1 LEU 20 -1.972 -1.977 -0.725 173 1HD2 LEU 20 1HD2 LEU 20 -3.947 -2.235 2.933 174 2HD2 LEU 20 2HD2 LEU 20 -4.692 -3.362 1.801 175 3HD2 LEU 20 3HD2 LEU 20 -2.998 -3.554 2.251 176 H GLN 21 H GLN 21 -2.916 2.039 3.137 177 HA GLN 21 HA GLN 21 -0.758 3.343 1.893 178 1HB GLN 21 1HB GLN 21 -3.112 4.174 2.906 179 2HB GLN 21 2HB GLN 21 -2.044 4.674 4.211 180 1HG GLN 21 1HG GLN 21 -0.641 5.770 2.358 181 2HG GLN 21 2HG GLN 21 -2.080 5.576 1.360 182 2HE2 GLN 21 2HE2 GLN 21 -4.096 6.103 3.070 183 1HE2 GLN 21 1HE2 GLN 21 -3.998 7.729 3.641 184 H LYS 22 H LYS 22 -1.338 2.512 5.305 185 HA LYS 22 HA LYS 22 1.049 3.622 6.307 186 1HB LYS 22 1HB LYS 22 -1.165 2.387 7.395 187 2HB LYS 22 2HB LYS 22 0.120 1.231 7.718 188 1HG LYS 22 1HG LYS 22 0.593 4.098 8.352 189 2HG LYS 22 2HG LYS 22 -0.447 3.148 9.415 190 1HD LYS 22 1HD LYS 22 2.230 2.092 8.596 191 2HD LYS 22 2HD LYS 22 2.107 3.282 9.893 192 1HE LYS 22 1HE LYS 22 0.996 1.843 11.294 193 2HE LYS 22 2HE LYS 22 0.325 0.898 9.966 194 1HZ LYS 22 1HZ LYS 22 2.843 0.320 9.606 195 2HZ LYS 22 2HZ LYS 22 2.948 0.697 11.252 196 3HZ LYS 22 3HZ LYS 22 1.906 -0.530 10.730 197 H GLU 23 H GLU 23 0.303 0.528 4.853 198 HA GLU 23 HA GLU 23 2.688 -0.809 5.585 199 1HB GLU 23 1HB GLU 23 0.406 -1.670 4.538 200 2HB GLU 23 2HB GLU 23 1.296 -1.478 3.034 201 1HG GLU 23 1HG GLU 23 1.601 -3.712 3.663 202 2HG GLU 23 2HG GLU 23 3.108 -2.897 4.082 203 H ILE 24 H ILE 24 1.810 1.247 2.865 204 HA ILE 24 HA ILE 24 4.118 0.711 1.314 205 HB ILE 24 HB ILE 24 3.385 2.266 -0.187 206 1HG1 ILE 24 1HG1 ILE 24 1.953 4.315 0.599 207 2HG1 ILE 24 2HG1 ILE 24 2.662 3.972 2.174 208 1HG2 ILE 24 1HG2 ILE 24 1.441 0.771 0.777 209 2HG2 ILE 24 2HG2 ILE 24 0.771 2.344 1.210 210 3HG2 ILE 24 3HG2 ILE 24 1.150 1.979 -0.473 211 1HD1 ILE 24 1HD1 ILE 24 4.745 3.949 0.252 212 2HD1 ILE 24 2HD1 ILE 24 3.777 5.405 0.008 213 3HD1 ILE 24 3HD1 ILE 24 4.484 5.073 1.589 214 H GLU 25 H GLU 25 3.367 3.118 3.776 215 HA GLU 25 HA GLU 25 5.679 4.679 3.565 216 1HB GLU 25 1HB GLU 25 3.611 5.202 4.916 217 2HB GLU 25 2HB GLU 25 4.196 4.068 6.125 218 1HG GLU 25 1HG GLU 25 5.110 5.893 7.039 219 2HG GLU 25 2HG GLU 25 6.371 5.636 5.834 220 H ARG 26 H ARG 26 5.013 1.755 5.451 221 HA ARG 26 HA ARG 26 7.385 1.622 6.902 222 1HB ARG 26 1HB ARG 26 5.475 0.138 7.315 223 2HB ARG 26 2HB ARG 26 5.746 -0.656 5.769 224 1HG ARG 26 1HG ARG 26 7.376 -1.951 6.585 225 2HG ARG 26 2HG ARG 26 8.089 -0.634 7.518 226 1HD ARG 26 1HD ARG 26 5.508 -1.885 8.375 227 2HD ARG 26 2HD ARG 26 7.046 -2.653 8.764 228 HE ARG 26 HE ARG 26 6.928 0.126 9.487 229 1HH1 ARG 26 1HH1 ARG 26 6.207 -3.128 10.494 230 2HH1 ARG 26 2HH1 ARG 26 6.241 -2.751 12.184 231 1HH2 ARG 26 1HH2 ARG 26 6.976 0.634 11.710 232 2HH2 ARG 26 2HH2 ARG 26 6.678 -0.612 12.875 233 H HIS 27 H HIS 27 6.614 0.209 3.729 234 HA HIS 27 HA HIS 27 9.169 -0.872 3.247 235 1HB HIS 27 1HB HIS 27 6.743 -0.321 1.655 236 2HB HIS 27 2HB HIS 27 8.244 -0.375 0.738 237 HD1 HIS 27 HD1 HIS 27 9.739 -2.664 1.894 238 HD2 HIS 27 HD2 HIS 27 5.615 -2.758 1.393 239 HE1 HIS 27 HE1 HIS 27 9.125 -5.103 1.831 240 HE2 HIS 27 HE2 HIS 27 6.623 -5.136 1.528 241 H LYS 28 H LYS 28 7.917 2.342 3.028 242 HA LYS 28 HA LYS 28 9.921 3.381 1.274 243 1HB LYS 28 1HB LYS 28 7.607 4.368 1.755 244 2HB LYS 28 2HB LYS 28 8.303 4.982 3.249 245 1HG LYS 28 1HG LYS 28 10.127 5.843 1.439 246 2HG LYS 28 2HG LYS 28 8.641 5.906 0.488 247 1HD LYS 28 1HD LYS 28 8.507 7.963 1.441 248 2HD LYS 28 2HD LYS 28 7.743 7.036 2.733 249 1HE LYS 28 1HE LYS 28 9.370 8.506 3.705 250 2HE LYS 28 2HE LYS 28 9.959 6.849 3.835 251 1HZ LYS 28 1HZ LYS 28 10.760 8.530 1.553 252 2HZ LYS 28 2HZ LYS 28 11.553 8.686 3.038 253 3HZ LYS 28 3HZ LYS 28 11.557 7.200 2.229 254 H GLN 29 H GLN 29 9.613 2.891 4.709 255 HA GLN 29 HA GLN 29 11.807 4.583 5.438 256 1HB GLN 29 1HB GLN 29 9.836 3.853 6.915 257 2HB GLN 29 2HB GLN 29 10.701 2.334 7.108 258 1HG GLN 29 1HG GLN 29 12.062 3.204 8.625 259 2HG GLN 29 2HG GLN 29 12.423 4.597 7.605 260 2HE2 GLN 29 2HE2 GLN 29 11.807 4.226 10.535 261 1HE2 GLN 29 1HE2 GLN 29 10.567 5.385 10.859 262 H SER 30 H SER 30 11.387 1.217 4.592 263 HA SER 30 HA SER 30 13.997 0.411 5.480 264 1HB SER 30 1HB SER 30 11.800 -0.891 3.902 265 2HB SER 30 2HB SER 30 13.401 -1.630 3.956 266 HG SER 30 HG SER 30 12.614 -2.474 5.729 267 H ILE 31 H ILE 31 12.542 1.354 2.412 268 HA ILE 31 HA ILE 31 14.888 0.805 0.861 269 HB ILE 31 HB ILE 31 12.759 0.714 -0.237 270 1HG1 ILE 31 1HG1 ILE 31 13.080 2.579 -2.016 271 2HG1 ILE 31 2HG1 ILE 31 14.539 2.977 -1.118 272 1HG2 ILE 31 1HG2 ILE 31 12.131 2.922 1.349 273 2HG2 ILE 31 2HG2 ILE 31 12.047 3.501 -0.314 274 3HG2 ILE 31 3HG2 ILE 31 11.085 2.110 0.184 275 1HD1 ILE 31 1HD1 ILE 31 14.005 0.203 -2.099 276 2HD1 ILE 31 2HD1 ILE 31 14.750 1.428 -3.122 277 3HD1 ILE 31 3HD1 ILE 31 15.538 0.932 -1.625 278 H LYS 32 H LYS 32 13.633 3.527 2.636 279 HA LYS 32 HA LYS 32 15.413 5.443 1.428 280 1HB LYS 32 1HB LYS 32 13.128 5.946 2.448 281 2HB LYS 32 2HB LYS 32 13.906 5.782 4.017 282 1HG LYS 32 1HG LYS 32 14.059 8.034 3.725 283 2HG LYS 32 2HG LYS 32 15.586 7.529 2.999 284 1HD LYS 32 1HD LYS 32 13.305 7.554 1.153 285 2HD LYS 32 2HD LYS 32 13.745 9.138 1.796 286 1HE LYS 32 1HE LYS 32 15.774 7.255 0.622 287 2HE LYS 32 2HE LYS 32 14.875 8.407 -0.366 288 1HZ LYS 32 1HZ LYS 32 16.221 9.430 2.018 289 2HZ LYS 32 2HZ LYS 32 17.192 9.003 0.701 290 3HZ LYS 32 3HZ LYS 32 15.977 10.167 0.515 291 H LYS 33 H LYS 33 15.359 3.437 4.305 292 HA LYS 33 HA LYS 33 17.666 4.691 5.482 293 1HB LYS 33 1HB LYS 33 16.051 3.692 6.962 294 2HB LYS 33 2HB LYS 33 16.176 2.146 6.135 295 1HG LYS 33 1HG LYS 33 18.520 1.970 6.886 296 2HG LYS 33 2HG LYS 33 18.314 3.474 7.785 297 1HD LYS 33 1HD LYS 33 16.786 2.505 9.275 298 2HD LYS 33 2HD LYS 33 16.492 1.127 8.212 299 1HE LYS 33 1HE LYS 33 19.158 0.891 8.640 300 2HE LYS 33 2HE LYS 33 18.636 1.588 10.173 301 1HZ LYS 33 1HZ LYS 33 17.405 -0.817 8.942 302 2HZ LYS 33 2HZ LYS 33 18.623 -0.876 10.116 303 3HZ LYS 33 3HZ LYS 33 17.117 -0.203 10.493 304 H LEU 34 H LEU 34 17.024 2.009 3.362 305 HA LEU 34 HA LEU 34 19.635 0.838 3.630 306 1HB LEU 34 1HB LEU 34 17.171 0.284 2.122 307 2HB LEU 34 2HB LEU 34 18.650 -0.157 1.290 308 HG LEU 34 HG LEU 34 18.222 -1.057 4.113 309 1HD1 LEU 34 1HD1 LEU 34 16.188 -1.589 2.690 310 2HD1 LEU 34 2HD1 LEU 34 17.252 -2.630 1.745 311 3HD1 LEU 34 3HD1 LEU 34 16.997 -2.954 3.460 312 1HD2 LEU 34 1HD2 LEU 34 20.217 -1.389 2.174 313 2HD2 LEU 34 2HD2 LEU 34 20.082 -2.205 3.733 314 3HD2 LEU 34 3HD2 LEU 34 19.387 -2.941 2.289 315 H LYS 35 H LYS 35 18.068 3.148 1.521 316 HA LYS 35 HA LYS 35 20.147 3.178 -0.447 317 1HB LYS 35 1HB LYS 35 17.617 3.984 -0.543 318 2HB LYS 35 2HB LYS 35 18.337 5.517 -0.072 319 1HG LYS 35 1HG LYS 35 19.909 5.217 -2.039 320 2HG LYS 35 2HG LYS 35 18.839 3.913 -2.558 321 1HD LYS 35 1HD LYS 35 17.635 6.550 -1.882 322 2HD LYS 35 2HD LYS 35 18.505 6.391 -3.408 323 1HE LYS 35 1HE LYS 35 16.154 4.754 -2.474 324 2HE LYS 35 2HE LYS 35 16.172 5.936 -3.782 325 1HZ LYS 35 1HZ LYS 35 17.998 4.391 -4.736 326 2HZ LYS 35 2HZ LYS 35 17.320 3.228 -3.713 327 3HZ LYS 35 3HZ LYS 35 16.372 3.960 -4.909 328 H GLN 36 H GLN 36 19.379 5.046 2.436 329 HA GLN 36 HA GLN 36 21.401 7.020 2.015 330 1HB GLN 36 1HB GLN 36 19.497 7.558 3.399 331 2HB GLN 36 2HB GLN 36 19.850 6.219 4.482 332 1HG GLN 36 1HG GLN 36 20.582 8.143 5.597 333 2HG GLN 36 2HG GLN 36 22.043 7.374 4.979 334 2HE2 GLN 36 2HE2 GLN 36 23.180 8.344 3.311 335 1HE2 GLN 36 1HE2 GLN 36 22.917 9.986 2.843 336 H SER 37 H SER 37 21.235 3.926 3.649 337 HA SER 37 HA SER 37 23.690 4.164 5.060 338 1HB SER 37 1HB SER 37 22.006 1.788 4.262 339 2HB SER 37 2HB SER 37 23.502 1.623 5.181 340 HG SER 37 HG SER 37 22.414 2.149 6.886 341 H GLU 38 H GLU 38 22.824 3.205 1.825 342 HA GLU 38 HA GLU 38 25.224 1.866 1.154 343 1HB GLU 38 1HB GLU 38 22.795 2.539 -0.137 344 2HB GLU 38 2HB GLU 38 24.094 3.181 -1.133 345 1HG GLU 38 1HG GLU 38 25.142 0.836 -0.864 346 2HG GLU 38 2HG GLU 38 23.518 0.348 -0.378 347 H ASP 39 H ASP 39 24.343 5.213 1.367 348 HA ASP 39 HA ASP 39 26.384 6.289 -0.270 349 1HB ASP 39 1HB ASP 39 24.462 7.634 0.345 350 2HB ASP 39 2HB ASP 39 24.872 7.500 2.053 351 H ASP 40 H ASP 40 26.353 5.041 2.955 352 HA ASP 40 HA ASP 40 28.049 4.593 4.410 353 1HB ASP 40 1HB ASP 40 29.329 4.665 1.947 354 2HB ASP 40 2HB ASP 40 30.270 5.774 2.939 355 H ASP 41 H ASP 41 29.295 5.662 6.012 356 HA ASP 41 HA ASP 41 28.774 8.544 6.107 357 1HB ASP 41 1HB ASP 41 28.443 6.519 7.996 358 2HB ASP 41 2HB ASP 41 29.869 7.397 8.541 359 H1 ALA 1 H1 ALA 1 33.802 -8.736 1.574 360 H2 ALA 1 H2 ALA 1 33.180 -7.755 2.837 361 H3 ALA 1 H3 ALA 1 33.388 -9.439 3.084 362 HA ALA 1 HA ALA 1 31.645 -10.003 1.787 363 1HB ALA 1 1HB ALA 1 30.218 -7.604 2.495 364 2HB ALA 1 2HB ALA 1 31.276 -8.115 3.810 365 3HB ALA 1 3HB ALA 1 30.077 -9.233 3.159 366 H LEU 2 H LEU 2 30.062 -9.529 0.138 367 HA LEU 2 HA LEU 2 31.140 -7.704 -1.875 368 1HB LEU 2 1HB LEU 2 28.847 -9.538 -2.402 369 2HB LEU 2 2HB LEU 2 30.112 -8.999 -3.490 370 HG LEU 2 HG LEU 2 31.349 -10.533 -1.444 371 1HD1 LEU 2 1HD1 LEU 2 28.802 -11.345 -1.459 372 2HD1 LEU 2 2HD1 LEU 2 29.421 -12.317 -2.793 373 3HD1 LEU 2 3HD1 LEU 2 30.159 -12.439 -1.197 374 1HD2 LEU 2 1HD2 LEU 2 31.793 -10.126 -4.000 375 2HD2 LEU 2 2HD2 LEU 2 32.316 -11.617 -3.216 376 3HD2 LEU 2 3HD2 LEU 2 30.838 -11.598 -4.178 377 H LYS 3 H LYS 3 28.359 -8.197 0.156 378 HA LYS 3 HA LYS 3 26.430 -7.022 0.471 379 1HB LYS 3 1HB LYS 3 28.619 -5.194 0.361 380 2HB LYS 3 2HB LYS 3 27.224 -4.424 -0.381 381 1HG LYS 3 1HG LYS 3 26.192 -4.155 1.575 382 2HG LYS 3 2HG LYS 3 26.587 -5.790 2.111 383 1HD LYS 3 1HD LYS 3 29.021 -4.654 2.253 384 2HD LYS 3 2HD LYS 3 28.010 -3.242 2.567 385 1HE LYS 3 1HE LYS 3 28.051 -5.846 4.083 386 2HE LYS 3 2HE LYS 3 28.555 -4.259 4.666 387 1HZ LYS 3 1HZ LYS 3 25.978 -3.888 3.854 388 2HZ LYS 3 2HZ LYS 3 25.942 -5.415 4.580 389 3HZ LYS 3 3HZ LYS 3 26.499 -4.078 5.453 390 H LYS 4 H LYS 4 26.998 -8.103 -2.254 391 HA LYS 4 HA LYS 4 25.865 -6.251 -4.124 392 1HB LYS 4 1HB LYS 4 27.456 -8.253 -4.573 393 2HB LYS 4 2HB LYS 4 25.989 -9.222 -4.551 394 1HG LYS 4 1HG LYS 4 25.107 -8.123 -6.433 395 2HG LYS 4 2HG LYS 4 26.294 -6.820 -6.325 396 1HD LYS 4 1HD LYS 4 27.949 -8.918 -6.583 397 2HD LYS 4 2HD LYS 4 26.549 -9.539 -7.460 398 1HE LYS 4 1HE LYS 4 28.052 -8.413 -8.988 399 2HE LYS 4 2HE LYS 4 26.544 -7.511 -8.849 400 1HZ LYS 4 1HZ LYS 4 28.859 -6.815 -7.162 401 2HZ LYS 4 2HZ LYS 4 28.761 -6.245 -8.751 402 3HZ LYS 4 3HZ LYS 4 27.555 -5.844 -7.634 403 H HIS 5 H HIS 5 24.683 -9.062 -2.329 404 HA HIS 5 HA HIS 5 22.147 -9.247 -3.486 405 1HB HIS 5 1HB HIS 5 21.500 -10.305 -1.266 406 2HB HIS 5 2HB HIS 5 22.862 -11.040 -2.106 407 HD1 HIS 5 HD1 HIS 5 24.572 -11.712 -0.465 408 HD2 HIS 5 HD2 HIS 5 22.745 -8.136 0.602 409 HE1 HIS 5 HE1 HIS 5 25.709 -10.983 1.657 410 HE2 HIS 5 HE2 HIS 5 24.588 -8.815 2.285 411 H HIS 6 H HIS 6 23.445 -6.973 -1.228 412 HA HIS 6 HA HIS 6 21.058 -6.066 -0.047 413 1HB HIS 6 1HB HIS 6 23.796 -5.391 0.067 414 2HB HIS 6 2HB HIS 6 22.945 -3.914 -0.375 415 HD1 HIS 6 HD1 HIS 6 21.285 -6.406 1.860 416 HD2 HIS 6 HD2 HIS 6 23.352 -2.814 2.172 417 HE1 HIS 6 HE1 HIS 6 20.918 -5.621 4.220 418 HE2 HIS 6 HE2 HIS 6 22.177 -3.445 4.388 419 H GLU 7 H GLU 7 22.707 -5.176 -3.033 420 HA GLU 7 HA GLU 7 21.115 -2.930 -3.654 421 1HB GLU 7 1HB GLU 7 22.879 -4.758 -5.247 422 2HB GLU 7 2HB GLU 7 21.874 -3.576 -6.073 423 1HG GLU 7 1HG GLU 7 23.013 -1.998 -4.222 424 2HG GLU 7 2HG GLU 7 24.287 -3.199 -4.430 425 H ASN 8 H ASN 8 20.592 -6.339 -3.929 426 HA ASN 8 HA ASN 8 18.508 -6.215 -5.878 427 1HB ASN 8 1HB ASN 8 20.006 -8.241 -4.784 428 2HB ASN 8 2HB ASN 8 18.439 -8.487 -4.017 429 2HD2 ASN 8 2HD2 ASN 8 20.193 -9.609 -6.397 430 1HD2 ASN 8 1HD2 ASN 8 18.987 -9.949 -7.587 431 H GLU 9 H GLU 9 18.488 -6.783 -2.353 432 HA GLU 9 HA GLU 9 15.690 -6.670 -2.068 433 1HB GLU 9 1HB GLU 9 17.910 -7.068 -0.384 434 2HB GLU 9 2HB GLU 9 17.044 -5.692 0.285 435 1HG GLU 9 1HG GLU 9 16.259 -7.712 1.312 436 2HG GLU 9 2HG GLU 9 14.981 -7.032 0.305 437 H ILE 10 H ILE 10 18.091 -4.219 -2.426 438 HA ILE 10 HA ILE 10 16.592 -2.070 -1.310 439 HB ILE 10 HB ILE 10 19.213 -2.464 -2.394 440 1HG1 ILE 10 1HG1 ILE 10 18.775 0.151 -1.254 441 2HG1 ILE 10 2HG1 ILE 10 17.942 -1.091 -0.322 442 1HG2 ILE 10 1HG2 ILE 10 17.734 -0.199 -3.679 443 2HG2 ILE 10 2HG2 ILE 10 19.463 -0.095 -3.356 444 3HG2 ILE 10 3HG2 ILE 10 18.839 -1.368 -4.403 445 1HD1 ILE 10 1HD1 ILE 10 20.740 -1.642 -1.103 446 2HD1 ILE 10 2HD1 ILE 10 20.464 -0.410 0.129 447 3HD1 ILE 10 3HD1 ILE 10 19.867 -2.051 0.374 448 H SER 11 H SER 11 17.182 -3.205 -4.628 449 HA SER 11 HA SER 11 15.598 -1.235 -5.891 450 1HB SER 11 1HB SER 11 16.773 -3.858 -6.695 451 2HB SER 11 2HB SER 11 15.511 -3.167 -7.715 452 HG SER 11 HG SER 11 17.202 -2.170 -8.528 453 H HIS 12 H HIS 12 14.822 -4.176 -4.241 454 HA HIS 12 HA HIS 12 12.221 -4.455 -5.423 455 1HB HIS 12 1HB HIS 12 12.561 -6.539 -4.675 456 2HB HIS 12 2HB HIS 12 13.947 -6.019 -3.734 457 HD1 HIS 12 HD1 HIS 12 10.159 -6.165 -3.358 458 HD2 HIS 12 HD2 HIS 12 13.624 -6.364 -1.075 459 HE1 HIS 12 HE1 HIS 12 9.394 -6.700 -1.022 460 HE2 HIS 12 HE2 HIS 12 11.508 -6.817 0.344 461 H HIS 13 H HIS 13 13.521 -3.120 -2.405 462 HA HIS 13 HA HIS 13 10.994 -2.572 -1.237 463 1HB HIS 13 1HB HIS 13 13.543 -1.041 -0.720 464 2HB HIS 13 2HB HIS 13 12.165 -1.219 0.355 465 HD1 HIS 13 HD1 HIS 13 11.999 -4.402 -0.107 466 HD2 HIS 13 HD2 HIS 13 15.311 -2.183 1.053 467 HE1 HIS 13 HE1 HIS 13 13.501 -6.021 1.101 468 HE2 HIS 13 HE2 HIS 13 15.504 -4.657 1.793 469 H ALA 14 H ALA 14 12.961 -0.962 -3.598 470 HA ALA 14 HA ALA 14 11.738 1.603 -3.406 471 1HB ALA 14 1HB ALA 14 13.815 0.381 -4.948 472 2HB ALA 14 2HB ALA 14 13.485 2.094 -4.690 473 3HB ALA 14 3HB ALA 14 12.716 1.239 -6.026 474 H LYS 15 H LYS 15 11.404 -1.035 -5.784 475 HA LYS 15 HA LYS 15 9.143 0.152 -7.051 476 1HB LYS 15 1HB LYS 15 10.872 -1.753 -7.816 477 2HB LYS 15 2HB LYS 15 9.569 -2.782 -7.239 478 1HG LYS 15 1HG LYS 15 8.077 -2.011 -8.842 479 2HG LYS 15 2HG LYS 15 9.018 -0.551 -9.154 480 1HD LYS 15 1HD LYS 15 10.849 -2.170 -9.974 481 2HD LYS 15 2HD LYS 15 9.552 -3.366 -10.040 482 1HE LYS 15 1HE LYS 15 8.815 -2.534 -11.963 483 2HE LYS 15 2HE LYS 15 8.691 -0.921 -11.265 484 1HZ LYS 15 1HZ LYS 15 11.156 -0.746 -11.673 485 2HZ LYS 15 2HZ LYS 15 11.025 -2.144 -12.615 486 3HZ LYS 15 3HZ LYS 15 10.179 -0.747 -13.054 487 H GLU 16 H GLU 16 9.540 -1.518 -4.128 488 HA GLU 16 HA GLU 16 6.887 -2.663 -4.076 489 1HB GLU 16 1HB GLU 16 8.736 -3.841 -2.981 490 2HB GLU 16 2HB GLU 16 9.000 -2.462 -1.923 491 1HG GLU 16 1HG GLU 16 7.788 -3.824 -0.555 492 2HG GLU 16 2HG GLU 16 6.500 -2.858 -1.275 493 H ILE 17 H ILE 17 8.559 0.184 -2.882 494 HA ILE 17 HA ILE 17 6.416 0.977 -1.129 495 HB ILE 17 HB ILE 17 8.648 1.717 -0.604 496 1HG1 ILE 17 1HG1 ILE 17 6.592 3.225 -0.219 497 2HG1 ILE 17 2HG1 ILE 17 8.187 3.949 -0.058 498 1HG2 ILE 17 1HG2 ILE 17 8.603 2.910 -3.356 499 2HG2 ILE 17 2HG2 ILE 17 9.726 3.464 -2.114 500 3HG2 ILE 17 3HG2 ILE 17 9.768 1.787 -2.655 501 1HD1 ILE 17 1HD1 ILE 17 7.312 4.229 -2.756 502 2HD1 ILE 17 2HD1 ILE 17 6.044 4.793 -1.667 503 3HD1 ILE 17 3HD1 ILE 17 7.666 5.478 -1.562 504 H GLU 18 H GLU 18 7.449 1.730 -4.412 505 HA GLU 18 HA GLU 18 5.473 3.779 -4.791 506 1HB GLU 18 1HB GLU 18 7.771 2.970 -6.134 507 2HB GLU 18 2HB GLU 18 6.466 2.551 -7.235 508 1HG GLU 18 1HG GLU 18 6.511 5.256 -5.989 509 2HG GLU 18 2HG GLU 18 7.593 4.900 -7.334 510 H ARG 19 H ARG 19 5.763 0.347 -5.515 511 HA ARG 19 HA ARG 19 3.347 0.197 -7.031 512 1HB ARG 19 1HB ARG 19 5.127 -1.445 -7.343 513 2HB ARG 19 2HB ARG 19 4.963 -1.968 -5.672 514 1HG ARG 19 1HG ARG 19 3.557 -3.519 -6.395 515 2HG ARG 19 2HG ARG 19 2.409 -2.222 -6.735 516 1HD ARG 19 1HD ARG 19 4.084 -2.149 -8.913 517 2HD ARG 19 2HD ARG 19 3.974 -3.873 -8.563 518 HE ARG 19 HE ARG 19 1.408 -2.652 -8.548 519 1HH1 ARG 19 1HH1 ARG 19 3.918 -3.811 -10.665 520 2HH1 ARG 19 2HH1 ARG 19 2.839 -4.143 -11.977 521 1HH2 ARG 19 1HH2 ARG 19 -0.024 -3.086 -10.270 522 2HH2 ARG 19 2HH2 ARG 19 0.597 -3.730 -11.753 523 H LEU 20 H LEU 20 4.178 -0.043 -3.653 524 HA LEU 20 HA LEU 20 1.737 -1.263 -2.819 525 1HB LEU 20 1HB LEU 20 4.082 -0.027 -1.504 526 2HB LEU 20 2HB LEU 20 2.587 0.013 -0.596 527 HG LEU 20 HG LEU 20 4.171 -1.946 -0.175 528 1HD1 LEU 20 1HD1 LEU 20 1.267 -2.351 -0.855 529 2HD1 LEU 20 2HD1 LEU 20 2.256 -3.550 -0.023 530 3HD1 LEU 20 3HD1 LEU 20 1.967 -1.978 0.720 531 1HD2 LEU 20 1HD2 LEU 20 3.939 -2.232 -2.939 532 2HD2 LEU 20 2HD2 LEU 20 4.686 -3.360 -1.809 533 3HD2 LEU 20 3HD2 LEU 20 2.992 -3.553 -2.258 534 H GLN 21 H GLN 21 2.912 2.043 -3.137 535 HA GLN 21 HA GLN 21 0.755 3.346 -1.889 536 1HB GLN 21 1HB GLN 21 3.110 4.179 -2.900 537 2HB GLN 21 2HB GLN 21 2.042 4.682 -4.203 538 1HG GLN 21 1HG GLN 21 0.638 5.775 -2.348 539 2HG GLN 21 2HG GLN 21 2.078 5.577 -1.349 540 2HE2 GLN 21 2HE2 GLN 21 4.094 6.106 -3.057 541 1HE2 GLN 21 1HE2 GLN 21 3.997 7.736 -3.625 542 H LYS 22 H LYS 22 1.337 2.521 -5.301 543 HA LYS 22 HA LYS 22 -1.050 3.633 -6.303 544 1HB LYS 22 1HB LYS 22 1.165 2.401 -7.392 545 2HB LYS 22 2HB LYS 22 -0.119 1.245 -7.718 546 1HG LYS 22 1HG LYS 22 -0.592 4.114 -8.346 547 2HG LYS 22 2HG LYS 22 0.449 3.167 -9.410 548 1HD LYS 22 1HD LYS 22 -2.228 2.109 -8.597 549 2HD LYS 22 2HD LYS 22 -2.104 3.301 -9.891 550 1HE LYS 22 1HE LYS 22 -0.993 1.864 -11.294 551 2HE LYS 22 2HE LYS 22 -0.322 0.918 -9.967 552 1HZ LYS 22 1HZ LYS 22 -2.838 0.337 -9.610 553 2HZ LYS 22 2HZ LYS 22 -2.943 0.717 -11.256 554 3HZ LYS 22 3HZ LYS 22 -1.901 -0.509 -10.735 555 H GLU 23 H GLU 23 -0.304 0.539 -4.852 556 HA GLU 23 HA GLU 23 -2.689 -0.799 -5.588 557 1HB GLU 23 1HB GLU 23 -0.408 -1.661 -4.542 558 2HB GLU 23 2HB GLU 23 -1.299 -1.472 -3.038 559 1HG GLU 23 1HG GLU 23 -1.603 -3.704 -3.672 560 2HG GLU 23 2HG GLU 23 -3.109 -2.890 -4.091 561 H ILE 24 H ILE 24 -1.812 1.252 -2.863 562 HA ILE 24 HA ILE 24 -4.121 0.714 -1.315 563 HB ILE 24 HB ILE 24 -3.389 2.266 0.189 564 1HG1 ILE 24 1HG1 ILE 24 -1.958 4.317 -0.592 565 2HG1 ILE 24 2HG1 ILE 24 -2.665 3.977 -2.169 566 1HG2 ILE 24 1HG2 ILE 24 -1.444 0.774 -0.777 567 2HG2 ILE 24 2HG2 ILE 24 -0.773 2.348 -1.205 568 3HG2 ILE 24 3HG2 ILE 24 -1.156 1.979 0.477 569 1HD1 ILE 24 1HD1 ILE 24 -4.749 3.949 -0.249 570 2HD1 ILE 24 2HD1 ILE 24 -3.784 5.406 -0.003 571 3HD1 ILE 24 3HD1 ILE 24 -4.488 5.074 -1.585 572 H GLU 25 H GLU 25 -3.368 3.125 -3.773 573 HA GLU 25 HA GLU 25 -5.681 4.684 -3.561 574 1HB GLU 25 1HB GLU 25 -3.612 5.211 -4.908 575 2HB GLU 25 2HB GLU 25 -4.195 4.079 -6.120 576 1HG GLU 25 1HG GLU 25 -5.109 5.905 -7.032 577 2HG GLU 25 2HG GLU 25 -6.370 5.646 -5.828 578 H ARG 26 H ARG 26 -5.012 1.763 -5.450 579 HA ARG 26 HA ARG 26 -7.380 1.632 -6.906 580 1HB ARG 26 1HB ARG 26 -5.471 0.148 -7.318 581 2HB ARG 26 2HB ARG 26 -5.744 -0.648 -5.773 582 1HG ARG 26 1HG ARG 26 -7.370 -1.942 -6.593 583 2HG ARG 26 2HG ARG 26 -8.084 -0.623 -7.523 584 1HD ARG 26 1HD ARG 26 -5.502 -1.870 -8.383 585 2HD ARG 26 2HD ARG 26 -7.040 -2.639 -8.775 586 HE ARG 26 HE ARG 26 -6.922 0.142 -9.490 587 1HH1 ARG 26 1HH1 ARG 26 -6.201 -3.110 -10.505 588 2HH1 ARG 26 2HH1 ARG 26 -6.236 -2.728 -12.195 589 1HH2 ARG 26 1HH2 ARG 26 -6.971 0.656 -11.712 590 2HH2 ARG 26 2HH2 ARG 26 -6.673 -0.587 -12.881 591 H HIS 27 H HIS 27 -6.615 0.221 -3.730 592 HA HIS 27 HA HIS 27 -9.172 -0.861 -3.256 593 1HB HIS 27 1HB HIS 27 -6.748 -0.315 -1.660 594 2HB HIS 27 2HB HIS 27 -8.250 -0.369 -0.744 595 HD1 HIS 27 HD1 HIS 27 -9.743 -2.656 -1.910 596 HD2 HIS 27 HD2 HIS 27 -5.620 -2.753 -1.395 597 HE1 HIS 27 HE1 HIS 27 -9.131 -5.095 -1.847 598 HE2 HIS 27 HE2 HIS 27 -6.630 -5.131 -1.535 599 H LYS 28 H LYS 28 -7.917 2.351 -3.030 600 HA LYS 28 HA LYS 28 -9.923 3.388 -1.278 601 1HB LYS 28 1HB LYS 28 -7.607 4.373 -1.748 602 2HB LYS 28 2HB LYS 28 -8.297 4.991 -3.243 603 1HG LYS 28 1HG LYS 28 -10.125 5.849 -1.433 604 2HG LYS 28 2HG LYS 28 -8.639 5.912 -0.483 605 1HD LYS 28 1HD LYS 28 -8.507 7.971 -1.435 606 2HD LYS 28 2HD LYS 28 -7.742 7.044 -2.727 607 1HE LYS 28 1HE LYS 28 -9.371 8.514 -3.699 608 2HE LYS 28 2HE LYS 28 -9.958 6.857 -3.831 609 1HZ LYS 28 1HZ LYS 28 -10.761 8.533 -1.545 610 2HZ LYS 28 2HZ LYS 28 -11.553 8.692 -3.031 611 3HZ LYS 28 3HZ LYS 28 -11.558 7.205 -2.226 612 H GLN 29 H GLN 29 -9.612 2.899 -4.710 613 HA GLN 29 HA GLN 29 -11.801 4.598 -5.441 614 1HB GLN 29 1HB GLN 29 -9.830 3.873 -6.916 615 2HB GLN 29 2HB GLN 29 -10.692 2.351 -7.112 616 1HG GLN 29 1HG GLN 29 -12.052 3.219 -8.629 617 2HG GLN 29 2HG GLN 29 -12.418 4.610 -7.611 618 2HE2 GLN 29 2HE2 GLN 29 -11.801 4.247 -10.539 619 1HE2 GLN 29 1HE2 GLN 29 -10.563 5.407 -10.861 620 H SER 30 H SER 30 -11.384 1.225 -4.616 621 HA SER 30 HA SER 30 -13.994 0.425 -5.505 622 1HB SER 30 1HB SER 30 -11.796 -0.883 -3.933 623 2HB SER 30 2HB SER 30 -13.398 -1.619 -3.983 624 HG SER 30 HG SER 30 -12.608 -2.462 -5.758 625 H ILE 31 H ILE 31 -12.540 1.367 -2.435 626 HA ILE 31 HA ILE 31 -14.886 0.806 -0.886 627 HB ILE 31 HB ILE 31 -12.754 0.721 0.209 628 1HG1 ILE 31 1HG1 ILE 31 -13.092 2.534 2.013 629 2HG1 ILE 31 2HG1 ILE 31 -14.525 2.991 1.100 630 1HG2 ILE 31 1HG2 ILE 31 -12.138 2.937 -1.367 631 2HG2 ILE 31 2HG2 ILE 31 -12.067 3.515 0.297 632 3HG2 ILE 31 3HG2 ILE 31 -11.090 2.134 -0.198 633 1HD1 ILE 31 1HD1 ILE 31 -14.820 0.287 1.356 634 2HD1 ILE 31 2HD1 ILE 31 -14.074 0.746 2.884 635 3HD1 ILE 31 3HD1 ILE 31 -15.579 1.508 2.374 636 H LYS 32 H LYS 32 -13.630 3.541 -2.644 637 HA LYS 32 HA LYS 32 -15.417 5.448 -1.435 638 1HB LYS 32 1HB LYS 32 -13.133 5.956 -2.457 639 2HB LYS 32 2HB LYS 32 -13.914 5.797 -4.024 640 1HG LYS 32 1HG LYS 32 -14.067 8.048 -3.723 641 2HG LYS 32 2HG LYS 32 -15.593 7.539 -2.996 642 1HD LYS 32 1HD LYS 32 -13.310 7.557 -1.154 643 2HD LYS 32 2HD LYS 32 -13.748 9.142 -1.791 644 1HE LYS 32 1HE LYS 32 -15.777 7.261 -0.618 645 2HE LYS 32 2HE LYS 32 -14.878 8.411 0.370 646 1HZ LYS 32 1HZ LYS 32 -16.224 9.437 -2.012 647 2HZ LYS 32 2HZ LYS 32 -17.196 9.006 -0.696 648 3HZ LYS 32 3HZ LYS 32 -15.981 10.171 -0.508 649 H LYS 33 H LYS 33 -15.364 3.439 -4.308 650 HA LYS 33 HA LYS 33 -17.671 4.693 -5.487 651 1HB LYS 33 1HB LYS 33 -16.051 3.694 -6.965 652 2HB LYS 33 2HB LYS 33 -16.182 2.147 -6.140 653 1HG LYS 33 1HG LYS 33 -18.523 1.976 -6.899 654 2HG LYS 33 2HG LYS 33 -18.316 3.485 -7.790 655 1HD LYS 33 1HD LYS 33 -16.789 2.523 -9.284 656 2HD LYS 33 2HD LYS 33 -16.491 1.142 -8.227 657 1HE LYS 33 1HE LYS 33 -19.158 0.905 -8.655 658 2HE LYS 33 2HE LYS 33 -18.635 1.604 -10.187 659 1HZ LYS 33 1HZ LYS 33 -17.404 -0.801 -8.959 660 2HZ LYS 33 2HZ LYS 33 -18.620 -0.860 -10.133 661 3HZ LYS 33 3HZ LYS 33 -17.115 -0.185 -10.508 662 H LEU 34 H LEU 34 -17.025 2.009 -3.369 663 HA LEU 34 HA LEU 34 -19.636 0.836 -3.636 664 1HB LEU 34 1HB LEU 34 -17.170 0.285 -2.126 665 2HB LEU 34 2HB LEU 34 -18.649 -0.161 -1.296 666 HG LEU 34 HG LEU 34 -18.210 -1.056 -4.119 667 1HD1 LEU 34 1HD1 LEU 34 -16.183 -1.590 -2.688 668 2HD1 LEU 34 2HD1 LEU 34 -17.252 -2.630 -1.748 669 3HD1 LEU 34 3HD1 LEU 34 -16.990 -2.954 -3.461 670 1HD2 LEU 34 1HD2 LEU 34 -20.215 -1.392 -2.187 671 2HD2 LEU 34 2HD2 LEU 34 -20.075 -2.200 -3.749 672 3HD2 LEU 34 3HD2 LEU 34 -19.384 -2.944 -2.307 673 H LYS 35 H LYS 35 -18.075 3.156 -1.537 674 HA LYS 35 HA LYS 35 -20.150 3.180 0.436 675 1HB LYS 35 1HB LYS 35 -17.617 3.990 0.525 676 2HB LYS 35 2HB LYS 35 -18.346 5.523 0.065 677 1HG LYS 35 1HG LYS 35 -19.908 5.205 2.036 678 2HG LYS 35 2HG LYS 35 -18.832 3.903 2.544 679 1HD LYS 35 1HD LYS 35 -17.633 6.543 1.875 680 2HD LYS 35 2HD LYS 35 -18.508 6.385 3.401 681 1HE LYS 35 1HE LYS 35 -16.152 4.749 2.472 682 2HE LYS 35 2HE LYS 35 -16.176 5.931 3.781 683 1HZ LYS 35 1HZ LYS 35 -18.002 4.384 4.731 684 2HZ LYS 35 2HZ LYS 35 -17.323 3.223 3.706 685 3HZ LYS 35 3HZ LYS 35 -16.376 3.952 4.904 686 H GLN 36 H GLN 36 -19.379 5.057 -2.442 687 HA GLN 36 HA GLN 36 -21.404 7.026 -2.021 688 1HB GLN 36 1HB GLN 36 -19.499 7.566 -3.402 689 2HB GLN 36 2HB GLN 36 -19.853 6.230 -4.488 690 1HG GLN 36 1HG GLN 36 -20.582 8.158 -5.598 691 2HG GLN 36 2HG GLN 36 -22.044 7.387 -4.984 692 2HE2 GLN 36 2HE2 GLN 36 -23.182 8.353 -3.312 693 1HE2 GLN 36 1HE2 GLN 36 -22.918 9.994 -2.840 694 H SER 37 H SER 37 -21.237 3.935 -3.658 695 HA SER 37 HA SER 37 -23.690 4.174 -5.070 696 1HB SER 37 1HB SER 37 -22.006 1.798 -4.274 697 2HB SER 37 2HB SER 37 -23.501 1.634 -5.194 698 HG SER 37 HG SER 37 -22.413 2.160 -6.898 699 H GLU 38 H GLU 38 -22.826 3.210 -1.837 700 HA GLU 38 HA GLU 38 -25.226 1.870 -1.167 701 1HB GLU 38 1HB GLU 38 -22.798 2.541 0.124 702 2HB GLU 38 2HB GLU 38 -24.097 3.181 1.121 703 1HG GLU 38 1HG GLU 38 -25.144 0.836 0.847 704 2HG GLU 38 2HG GLU 38 -23.521 0.350 0.362 705 H ASP 39 H ASP 39 -24.345 5.217 -1.375 706 HA ASP 39 HA ASP 39 -26.387 6.291 0.263 707 1HB ASP 39 1HB ASP 39 -24.465 7.636 -0.350 708 2HB ASP 39 2HB ASP 39 -24.874 7.506 -2.057 709 H ASP 40 H ASP 40 -26.355 5.048 -2.964 710 HA ASP 40 HA ASP 40 -28.049 4.602 -4.422 711 1HB ASP 40 1HB ASP 40 -29.331 4.670 -1.959 712 2HB ASP 40 2HB ASP 40 -30.272 5.781 -2.950 713 H ASP 41 H ASP 41 -29.294 5.675 -6.022 714 HA ASP 41 HA ASP 41 -28.773 8.558 -6.111 715 1HB ASP 41 1HB ASP 41 -28.439 6.535 -8.005 716 2HB ASP 41 2HB ASP 41 -29.865 7.413 -8.549 No H/Q in entry = 716 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -29.604 -10.439 4.315 2 H2 ALA 1 H2 ALA 1 -30.487 -9.969 5.711 3 H3 ALA 1 H3 ALA 1 -31.218 -10.981 4.537 4 HA ALA 1 HA ALA 1 -32.112 -8.947 4.124 5 1HB ALA 1 1HB ALA 1 -29.994 -7.967 5.526 6 2HB ALA 1 2HB ALA 1 -31.175 -6.985 4.662 7 3HB ALA 1 3HB ALA 1 -29.640 -7.395 3.896 8 H LEU 2 H LEU 2 -31.012 -7.135 2.276 9 HA LEU 2 HA LEU 2 -30.292 -8.926 0.048 10 1HB LEU 2 1HB LEU 2 -32.643 -7.594 0.264 11 2HB LEU 2 2HB LEU 2 -31.681 -6.401 -0.587 12 HG LEU 2 HG LEU 2 -32.818 -7.637 -2.249 13 1HD1 LEU 2 1HD1 LEU 2 -30.445 -7.204 -2.717 14 2HD1 LEU 2 2HD1 LEU 2 -30.039 -8.788 -2.055 15 3HD1 LEU 2 3HD1 LEU 2 -31.027 -8.667 -3.511 16 1HD2 LEU 2 1HD2 LEU 2 -33.131 -9.600 -0.521 17 2HD2 LEU 2 2HD2 LEU 2 -33.208 -9.891 -2.259 18 3HD2 LEU 2 3HD2 LEU 2 -31.733 -10.263 -1.367 19 H LYS 3 H LYS 3 -30.013 -5.670 1.394 20 HA LYS 3 HA LYS 3 -27.591 -5.284 -0.240 21 1HB LYS 3 1HB LYS 3 -29.629 -3.285 0.728 22 2HB LYS 3 2HB LYS 3 -28.043 -2.806 0.141 23 1HG LYS 3 1HG LYS 3 -29.117 -2.626 -1.820 24 2HG LYS 3 2HG LYS 3 -28.844 -4.367 -1.898 25 1HD LYS 3 1HD LYS 3 -31.026 -4.854 -1.571 26 2HD LYS 3 2HD LYS 3 -31.263 -3.516 -0.445 27 1HE LYS 3 1HE LYS 3 -32.219 -2.326 -2.057 28 2HE LYS 3 2HE LYS 3 -30.739 -2.421 -3.010 29 1HZ LYS 3 1HZ LYS 3 -32.127 -4.864 -3.195 30 2HZ LYS 3 2HZ LYS 3 -33.196 -3.604 -3.554 31 3HZ LYS 3 3HZ LYS 3 -31.754 -3.765 -4.425 32 H LYS 4 H LYS 4 -27.901 -6.551 2.421 33 HA LYS 4 HA LYS 4 -26.644 -4.651 4.230 34 1HB LYS 4 1HB LYS 4 -26.936 -6.294 5.936 35 2HB LYS 4 2HB LYS 4 -28.416 -6.265 4.987 36 1HG LYS 4 1HG LYS 4 -28.147 -8.502 5.094 37 2HG LYS 4 2HG LYS 4 -27.130 -8.204 3.684 38 1HD LYS 4 1HD LYS 4 -25.147 -8.257 5.009 39 2HD LYS 4 2HD LYS 4 -26.080 -8.270 6.507 40 1HE LYS 4 1HE LYS 4 -26.889 -10.472 6.070 41 2HE LYS 4 2HE LYS 4 -26.222 -10.454 4.438 42 1HZ LYS 4 1HZ LYS 4 -24.427 -10.117 6.744 43 2HZ LYS 4 2HZ LYS 4 -24.964 -11.666 6.328 44 3HZ LYS 4 3HZ LYS 4 -24.092 -10.743 5.208 45 H HIS 5 H HIS 5 -25.843 -7.532 2.385 46 HA HIS 5 HA HIS 5 -23.346 -8.101 3.504 47 1HB HIS 5 1HB HIS 5 -22.855 -9.122 1.225 48 2HB HIS 5 2HB HIS 5 -24.289 -9.721 2.052 49 HD1 HIS 5 HD1 HIS 5 -26.081 -10.102 0.406 50 HD2 HIS 5 HD2 HIS 5 -23.848 -6.720 -0.513 51 HE1 HIS 5 HE1 HIS 5 -27.144 -9.135 -1.658 52 HE2 HIS 5 HE2 HIS 5 -25.776 -7.088 -2.197 53 H HIS 6 H HIS 6 -24.352 -5.583 1.355 54 HA HIS 6 HA HIS 6 -21.889 -4.931 0.177 55 1HB HIS 6 1HB HIS 6 -24.516 -3.861 0.221 56 2HB HIS 6 2HB HIS 6 -23.419 -2.553 0.652 57 HD1 HIS 6 HD1 HIS 6 -22.276 -5.195 -1.724 58 HD2 HIS 6 HD2 HIS 6 -23.790 -1.327 -1.848 59 HE1 HIS 6 HE1 HIS 6 -21.911 -4.405 -4.084 60 HE2 HIS 6 HE2 HIS 6 -22.835 -2.061 -4.136 61 H GLU 7 H GLU 7 -23.345 -3.976 3.247 62 HA GLU 7 HA GLU 7 -21.460 -2.009 3.952 63 1HB GLU 7 1HB GLU 7 -23.579 -3.534 5.306 64 2HB GLU 7 2HB GLU 7 -22.264 -3.033 6.361 65 1HG GLU 7 1HG GLU 7 -23.245 -0.930 4.578 66 2HG GLU 7 2HG GLU 7 -24.434 -1.525 5.736 67 H ASN 8 H ASN 8 -21.367 -5.469 4.026 68 HA ASN 8 HA ASN 8 -19.217 -5.720 5.888 69 1HB ASN 8 1HB ASN 8 -20.989 -7.483 4.834 70 2HB ASN 8 2HB ASN 8 -19.569 -7.841 3.857 71 2HD2 ASN 8 2HD2 ASN 8 -20.561 -9.755 5.475 72 1HD2 ASN 8 1HD2 ASN 8 -19.504 -10.023 6.815 73 H GLU 9 H GLU 9 -19.376 -6.109 2.345 74 HA GLU 9 HA GLU 9 -16.595 -6.293 1.958 75 1HB GLU 9 1HB GLU 9 -18.911 -6.339 0.344 76 2HB GLU 9 2HB GLU 9 -17.883 -5.070 -0.306 77 1HG GLU 9 1HG GLU 9 -16.126 -7.142 0.132 78 2HG GLU 9 2HG GLU 9 -17.589 -7.954 -0.422 79 H ILE 10 H ILE 10 -18.647 -3.615 2.604 80 HA ILE 10 HA ILE 10 -16.954 -1.606 1.479 81 HB ILE 10 HB ILE 10 -19.569 -1.729 2.658 82 1HG1 ILE 10 1HG1 ILE 10 -18.641 0.798 1.468 83 2HG1 ILE 10 2HG1 ILE 10 -18.391 -0.641 0.483 84 1HG2 ILE 10 1HG2 ILE 10 -17.778 0.313 3.914 85 2HG2 ILE 10 2HG2 ILE 10 -19.487 0.644 3.653 86 3HG2 ILE 10 3HG2 ILE 10 -19.000 -0.716 4.660 87 1HD1 ILE 10 1HD1 ILE 10 -20.830 -1.164 0.863 88 2HD1 ILE 10 2HD1 ILE 10 -20.976 0.462 1.531 89 3HD1 ILE 10 3HD1 ILE 10 -20.478 0.239 -0.146 90 H SER 11 H SER 11 -17.548 -2.841 4.755 91 HA SER 11 HA SER 11 -15.704 -1.105 6.031 92 1HB SER 11 1HB SER 11 -17.636 -2.677 6.982 93 2HB SER 11 2HB SER 11 -16.284 -3.787 7.201 94 HG SER 11 HG SER 11 -15.288 -1.732 8.185 95 H HIS 12 H HIS 12 -15.378 -4.078 4.288 96 HA HIS 12 HA HIS 12 -12.810 -4.754 5.360 97 1HB HIS 12 1HB HIS 12 -13.472 -6.721 4.513 98 2HB HIS 12 2HB HIS 12 -14.762 -5.953 3.605 99 HD1 HIS 12 HD1 HIS 12 -11.060 -6.739 3.228 100 HD2 HIS 12 HD2 HIS 12 -14.451 -6.091 0.917 101 HE1 HIS 12 HE1 HIS 12 -10.362 -7.226 0.860 102 HE2 HIS 12 HE2 HIS 12 -12.432 -6.830 -0.522 103 H HIS 13 H HIS 13 -13.957 -3.223 2.351 104 HA HIS 13 HA HIS 13 -11.409 -2.893 1.192 105 1HB HIS 13 1HB HIS 13 -13.806 -1.089 0.824 106 2HB HIS 13 2HB HIS 13 -12.439 -1.256 -0.267 107 HD1 HIS 13 HD1 HIS 13 -12.499 -4.481 -0.075 108 HD2 HIS 13 HD2 HIS 13 -15.624 -1.934 -1.064 109 HE1 HIS 13 HE1 HIS 13 -14.098 -5.878 -1.424 110 HE2 HIS 13 HE2 HIS 13 -15.988 -4.317 -2.012 111 H ALA 14 H ALA 14 -13.181 -1.085 3.593 112 HA ALA 14 HA ALA 14 -11.660 1.295 3.517 113 1HB ALA 14 1HB ALA 14 -13.798 0.229 5.076 114 2HB ALA 14 2HB ALA 14 -13.272 1.905 4.920 115 3HB ALA 14 3HB ALA 14 -12.566 0.871 6.161 116 H LYS 15 H LYS 15 -11.501 -1.502 5.724 117 HA LYS 15 HA LYS 15 -9.132 -0.638 7.018 118 1HB LYS 15 1HB LYS 15 -10.533 -3.297 6.831 119 2HB LYS 15 2HB LYS 15 -9.020 -3.111 7.707 120 1HG LYS 15 1HG LYS 15 -10.169 -1.282 9.028 121 2HG LYS 15 2HG LYS 15 -11.676 -1.842 8.298 122 1HD LYS 15 1HD LYS 15 -9.783 -3.485 9.981 123 2HD LYS 15 2HD LYS 15 -11.358 -2.862 10.483 124 1HE LYS 15 1HE LYS 15 -11.799 -4.261 8.091 125 2HE LYS 15 2HE LYS 15 -10.718 -5.271 9.050 126 1HZ LYS 15 1HZ LYS 15 -12.856 -4.159 10.599 127 2HZ LYS 15 2HZ LYS 15 -13.420 -5.117 9.325 128 3HZ LYS 15 3HZ LYS 15 -12.348 -5.767 10.460 129 H GLU 16 H GLU 16 -9.695 -2.036 3.954 130 HA GLU 16 HA GLU 16 -7.125 -3.311 3.716 131 1HB GLU 16 1HB GLU 16 -9.553 -3.045 2.068 132 2HB GLU 16 2HB GLU 16 -8.049 -3.121 1.160 133 1HG GLU 16 1HG GLU 16 -8.893 -5.136 3.229 134 2HG GLU 16 2HG GLU 16 -9.136 -5.317 1.493 135 H ILE 17 H ILE 17 -8.569 -0.226 2.829 136 HA ILE 17 HA ILE 17 -6.322 0.565 1.197 137 HB ILE 17 HB ILE 17 -8.466 1.497 0.640 138 1HG1 ILE 17 1HG1 ILE 17 -6.587 3.535 1.848 139 2HG1 ILE 17 2HG1 ILE 17 -6.643 2.990 0.175 140 1HG2 ILE 17 1HG2 ILE 17 -8.515 2.456 3.489 141 2HG2 ILE 17 2HG2 ILE 17 -9.591 3.087 2.241 142 3HG2 ILE 17 3HG2 ILE 17 -9.654 1.380 2.677 143 1HD1 ILE 17 1HD1 ILE 17 -9.059 3.954 0.239 144 2HD1 ILE 17 2HD1 ILE 17 -8.450 4.863 1.621 145 3HD1 ILE 17 3HD1 ILE 17 -7.676 5.031 0.045 146 H GLU 18 H GLU 18 -7.365 0.982 4.516 147 HA GLU 18 HA GLU 18 -5.335 2.926 5.136 148 1HB GLU 18 1HB GLU 18 -7.108 1.282 6.954 149 2HB GLU 18 2HB GLU 18 -6.081 2.611 7.473 150 1HG GLU 18 1HG GLU 18 -7.911 3.306 5.305 151 2HG GLU 18 2HG GLU 18 -8.712 2.812 6.796 152 H ARG 19 H ARG 19 -5.760 -0.551 5.453 153 HA ARG 19 HA ARG 19 -3.388 -0.942 7.010 154 1HB ARG 19 1HB ARG 19 -5.215 -2.811 5.508 155 2HB ARG 19 2HB ARG 19 -3.761 -3.379 6.317 156 1HG ARG 19 1HG ARG 19 -5.913 -1.840 7.739 157 2HG ARG 19 2HG ARG 19 -5.920 -3.599 7.600 158 1HD ARG 19 1HD ARG 19 -3.346 -2.636 8.479 159 2HD ARG 19 2HD ARG 19 -4.630 -2.058 9.538 160 HE ARG 19 HE ARG 19 -3.607 -4.678 9.438 161 1HH1 ARG 19 1HH1 ARG 19 -6.629 -2.965 9.687 162 2HH1 ARG 19 2HH1 ARG 19 -7.424 -4.230 10.565 163 1HH2 ARG 19 1HH2 ARG 19 -4.643 -6.351 10.593 164 2HH2 ARG 19 2HH2 ARG 19 -6.294 -6.154 11.080 165 H LEU 20 H LEU 20 -4.193 -0.953 3.596 166 HA LEU 20 HA LEU 20 -1.721 -2.099 2.738 167 1HB LEU 20 1HB LEU 20 -4.042 -0.782 1.430 168 2HB LEU 20 2HB LEU 20 -2.532 -0.803 0.546 169 HG LEU 20 HG LEU 20 -4.203 -2.688 0.092 170 1HD1 LEU 20 1HD1 LEU 20 -1.622 -2.537 -0.348 171 2HD1 LEU 20 2HD1 LEU 20 -1.557 -3.802 0.878 172 3HD1 LEU 20 3HD1 LEU 20 -2.496 -4.048 -0.595 173 1HD2 LEU 20 1HD2 LEU 20 -4.193 -2.993 2.791 174 2HD2 LEU 20 2HD2 LEU 20 -4.669 -4.243 1.642 175 3HD2 LEU 20 3HD2 LEU 20 -3.034 -4.227 2.299 176 H GLN 21 H GLN 21 -2.924 1.150 3.299 177 HA GLN 21 HA GLN 21 -0.796 2.558 2.095 178 1HB GLN 21 1HB GLN 21 -3.107 3.174 3.721 179 2HB GLN 21 2HB GLN 21 -1.714 4.110 4.246 180 1HG GLN 21 1HG GLN 21 -1.406 4.751 1.816 181 2HG GLN 21 2HG GLN 21 -3.005 4.061 1.538 182 2HE2 GLN 21 2HE2 GLN 21 -4.810 5.024 2.566 183 1HE2 GLN 21 1HE2 GLN 21 -4.763 6.674 3.078 184 H LYS 22 H LYS 22 -1.339 1.461 5.430 185 HA LYS 22 HA LYS 22 1.008 2.573 6.522 186 1HB LYS 22 1HB LYS 22 -1.060 0.689 7.359 187 2HB LYS 22 2HB LYS 22 0.522 0.294 8.018 188 1HG LYS 22 1HG LYS 22 0.208 1.821 9.585 189 2HG LYS 22 2HG LYS 22 0.202 3.068 8.336 190 1HD LYS 22 1HD LYS 22 -1.827 3.372 9.460 191 2HD LYS 22 2HD LYS 22 -2.268 2.461 8.013 192 1HE LYS 22 1HE LYS 22 -3.381 1.212 9.546 193 2HE LYS 22 2HE LYS 22 -1.812 0.414 9.650 194 1HZ LYS 22 1HZ LYS 22 -1.759 2.575 11.400 195 2HZ LYS 22 2HZ LYS 22 -3.224 1.774 11.666 196 3HZ LYS 22 3HZ LYS 22 -1.765 0.928 11.787 197 H GLU 23 H GLU 23 0.351 -0.485 4.918 198 HA GLU 23 HA GLU 23 2.788 -1.764 5.511 199 1HB GLU 23 1HB GLU 23 0.613 -2.735 4.505 200 2HB GLU 23 2HB GLU 23 1.265 -2.212 2.958 201 1HG GLU 23 1HG GLU 23 1.897 -4.442 3.127 202 2HG GLU 23 2HG GLU 23 3.347 -3.547 3.580 203 H ILE 24 H ILE 24 1.811 0.349 2.841 204 HA ILE 24 HA ILE 24 4.164 0.041 1.321 205 HB ILE 24 HB ILE 24 3.385 1.656 -0.095 206 1HG1 ILE 24 1HG1 ILE 24 1.795 3.553 0.833 207 2HG1 ILE 24 2HG1 ILE 24 2.586 3.168 2.360 208 1HG2 ILE 24 1HG2 ILE 24 1.475 0.025 0.858 209 2HG2 ILE 24 2HG2 ILE 24 0.724 1.593 1.149 210 3HG2 ILE 24 3HG2 ILE 24 1.236 1.150 -0.478 211 1HD1 ILE 24 1HD1 ILE 24 4.593 3.401 0.375 212 2HD1 ILE 24 2HD1 ILE 24 3.520 4.796 0.242 213 3HD1 ILE 24 3HD1 ILE 24 4.301 4.430 1.780 214 H GLU 25 H GLU 25 3.301 2.207 3.951 215 HA GLU 25 HA GLU 25 5.497 3.934 3.846 216 1HB GLU 25 1HB GLU 25 3.373 4.083 5.290 217 2HB GLU 25 2HB GLU 25 4.220 3.036 6.420 218 1HG GLU 25 1HG GLU 25 4.962 4.927 7.326 219 2HG GLU 25 2HG GLU 25 6.075 4.977 5.959 220 H ARG 26 H ARG 26 5.068 0.842 5.534 221 HA ARG 26 HA ARG 26 7.486 0.763 6.906 222 1HB ARG 26 1HB ARG 26 5.380 -0.922 6.692 223 2HB ARG 26 2HB ARG 26 6.562 -1.787 5.718 224 1HG ARG 26 1HG ARG 26 8.099 -1.867 7.568 225 2HG ARG 26 2HG ARG 26 7.024 -0.866 8.547 226 1HD ARG 26 1HD ARG 26 5.286 -2.664 8.287 227 2HD ARG 26 2HD ARG 26 6.538 -3.668 7.557 228 HE ARG 26 HE ARG 26 7.597 -2.851 9.945 229 1HH1 ARG 26 1HH1 ARG 26 4.718 -4.541 8.953 230 2HH1 ARG 26 2HH1 ARG 26 4.602 -5.467 10.413 231 1HH2 ARG 26 1HH2 ARG 26 7.454 -4.065 11.871 232 2HH2 ARG 26 2HH2 ARG 26 6.157 -5.195 12.072 233 H HIS 27 H HIS 27 6.712 -0.436 3.650 234 HA HIS 27 HA HIS 27 9.311 -1.333 3.028 235 1HB HIS 27 1HB HIS 27 6.810 -0.819 1.552 236 2HB HIS 27 2HB HIS 27 8.279 -0.692 0.589 237 HD1 HIS 27 HD1 HIS 27 9.921 -2.914 0.900 238 HD2 HIS 27 HD2 HIS 27 5.870 -3.345 1.716 239 HE1 HIS 27 HE1 HIS 27 9.474 -5.386 0.793 240 HE2 HIS 27 HE2 HIS 27 7.015 -5.625 1.291 241 H LYS 28 H LYS 28 7.849 1.802 3.051 242 HA LYS 28 HA LYS 28 9.774 3.076 1.358 243 1HB LYS 28 1HB LYS 28 7.537 4.013 1.613 244 2HB LYS 28 2HB LYS 28 7.799 4.226 3.338 245 1HG LYS 28 1HG LYS 28 9.700 5.766 2.742 246 2HG LYS 28 2HG LYS 28 9.126 5.691 1.076 247 1HD LYS 28 1HD LYS 28 7.450 6.557 3.430 248 2HD LYS 28 2HD LYS 28 8.280 7.661 2.331 249 1HE LYS 28 1HE LYS 28 6.375 5.591 1.298 250 2HE LYS 28 2HE LYS 28 5.789 7.136 1.914 251 1HZ LYS 28 1HZ LYS 28 7.920 7.057 -0.120 252 2HZ LYS 28 2HZ LYS 28 6.299 6.899 -0.580 253 3HZ LYS 28 3HZ LYS 28 6.819 8.295 0.223 254 H GLN 29 H GLN 29 9.555 2.283 4.721 255 HA GLN 29 HA GLN 29 11.571 4.132 5.591 256 1HB GLN 29 1HB GLN 29 9.746 3.206 7.058 257 2HB GLN 29 2HB GLN 29 10.582 1.661 7.019 258 1HG GLN 29 1HG GLN 29 12.483 2.583 8.133 259 2HG GLN 29 2HG GLN 29 11.823 4.213 8.011 260 2HE2 GLN 29 2HE2 GLN 29 11.626 4.715 10.117 261 1HE2 GLN 29 1HE2 GLN 29 10.627 3.861 11.238 262 H SER 30 H SER 30 11.455 0.780 4.562 263 HA SER 30 HA SER 30 14.152 0.189 5.329 264 1HB SER 30 1HB SER 30 12.013 -1.218 3.787 265 2HB SER 30 2HB SER 30 13.678 -1.774 3.616 266 HG SER 30 HG SER 30 11.951 -2.128 5.669 267 H ILE 31 H ILE 31 12.533 1.137 2.337 268 HA ILE 31 HA ILE 31 14.910 0.948 0.741 269 HB ILE 31 HB ILE 31 12.769 0.635 -0.318 270 1HG1 ILE 31 1HG1 ILE 31 12.888 2.555 -2.061 271 2HG1 ILE 31 2HG1 ILE 31 14.308 3.079 -1.163 272 1HG2 ILE 31 1HG2 ILE 31 11.912 2.681 1.334 273 2HG2 ILE 31 2HG2 ILE 31 11.820 3.370 -0.286 274 3HG2 ILE 31 3HG2 ILE 31 10.966 1.873 0.085 275 1HD1 ILE 31 1HD1 ILE 31 14.819 0.430 -1.534 276 2HD1 ILE 31 2HD1 ILE 31 13.965 0.859 -3.015 277 3HD1 ILE 31 3HD1 ILE 31 15.420 1.738 -2.550 278 H LYS 32 H LYS 32 13.370 3.389 2.672 279 HA LYS 32 HA LYS 32 14.877 5.570 1.524 280 1HB LYS 32 1HB LYS 32 12.642 6.004 2.380 281 2HB LYS 32 2HB LYS 32 13.111 5.429 3.973 282 1HG LYS 32 1HG LYS 32 13.135 7.761 4.134 283 2HG LYS 32 2HG LYS 32 14.831 7.300 3.973 284 1HD LYS 32 1HD LYS 32 14.529 9.140 2.526 285 2HD LYS 32 2HD LYS 32 14.558 7.716 1.485 286 1HE LYS 32 1HE LYS 32 12.563 8.257 0.678 287 2HE LYS 32 2HE LYS 32 11.875 8.154 2.298 288 1HZ LYS 32 1HZ LYS 32 12.749 10.498 2.600 289 2HZ LYS 32 2HZ LYS 32 12.964 10.534 0.922 290 3HZ LYS 32 3HZ LYS 32 11.418 10.311 1.571 291 H LYS 33 H LYS 33 15.157 3.357 4.190 292 HA LYS 33 HA LYS 33 17.227 4.870 5.519 293 1HB LYS 33 1HB LYS 33 15.644 3.424 6.771 294 2HB LYS 33 2HB LYS 33 16.333 2.016 5.976 295 1HG LYS 33 1HG LYS 33 18.558 2.735 6.970 296 2HG LYS 33 2HG LYS 33 17.623 3.845 7.974 297 1HD LYS 33 1HD LYS 33 16.312 1.934 8.817 298 2HD LYS 33 2HD LYS 33 17.313 0.846 7.855 299 1HE LYS 33 1HE LYS 33 18.830 0.779 9.474 300 2HE LYS 33 2HE LYS 33 19.020 2.530 9.391 301 1HZ LYS 33 1HZ LYS 33 16.779 2.388 10.775 302 2HZ LYS 33 2HZ LYS 33 17.462 0.916 11.251 303 3HZ LYS 33 3HZ LYS 33 18.302 2.362 11.511 304 H LEU 34 H LEU 34 16.991 2.199 3.271 305 HA LEU 34 HA LEU 34 19.785 1.521 3.444 306 1HB LEU 34 1HB LEU 34 17.409 0.449 2.180 307 2HB LEU 34 2HB LEU 34 18.763 0.468 1.066 308 HG LEU 34 HG LEU 34 19.595 -0.574 3.623 309 1HD1 LEU 34 1HD1 LEU 34 16.957 -1.364 2.741 310 2HD1 LEU 34 2HD1 LEU 34 18.066 -2.734 2.799 311 3HD1 LEU 34 3HD1 LEU 34 17.809 -1.745 4.237 312 1HD2 LEU 34 1HD2 LEU 34 19.458 -1.649 0.813 313 2HD2 LEU 34 2HD2 LEU 34 20.859 -0.972 1.646 314 3HD2 LEU 34 3HD2 LEU 34 20.191 -2.522 2.159 315 H LYS 35 H LYS 35 17.752 3.554 1.466 316 HA LYS 35 HA LYS 35 19.768 4.000 -0.544 317 1HB LYS 35 1HB LYS 35 17.230 4.108 -0.876 318 2HB LYS 35 2HB LYS 35 17.310 5.681 -0.096 319 1HG LYS 35 1HG LYS 35 19.189 5.255 -2.324 320 2HG LYS 35 2HG LYS 35 17.476 5.319 -2.748 321 1HD LYS 35 1HD LYS 35 18.537 7.396 -0.905 322 2HD LYS 35 2HD LYS 35 18.972 7.505 -2.612 323 1HE LYS 35 1HE LYS 35 16.280 6.987 -2.708 324 2HE LYS 35 2HE LYS 35 16.422 8.019 -1.286 325 1HZ LYS 35 1HZ LYS 35 17.996 9.080 -3.362 326 2HZ LYS 35 2HZ LYS 35 16.440 8.787 -3.959 327 3HZ LYS 35 3HZ LYS 35 16.652 9.769 -2.598 328 H GLN 36 H GLN 36 18.682 5.536 2.398 329 HA GLN 36 HA GLN 36 20.158 7.968 1.935 330 1HB GLN 36 1HB GLN 36 18.133 8.080 3.254 331 2HB GLN 36 2HB GLN 36 18.760 6.891 4.388 332 1HG GLN 36 1HG GLN 36 20.634 8.995 4.270 333 2HG GLN 36 2HG GLN 36 19.034 9.722 4.420 334 2HE2 GLN 36 2HE2 GLN 36 21.246 9.591 6.334 335 1HE2 GLN 36 1HE2 GLN 36 20.603 8.834 7.748 336 H SER 37 H SER 37 20.693 4.903 3.489 337 HA SER 37 HA SER 37 23.024 5.766 4.942 338 1HB SER 37 1HB SER 37 21.392 3.794 5.485 339 2HB SER 37 2HB SER 37 22.407 2.886 4.366 340 HG SER 37 HG SER 37 23.641 2.625 6.044 341 H GLU 38 H GLU 38 22.323 4.410 1.822 342 HA GLU 38 HA GLU 38 25.017 3.575 1.271 343 1HB GLU 38 1HB GLU 38 22.483 3.193 0.092 344 2HB GLU 38 2HB GLU 38 23.465 4.014 -1.112 345 1HG GLU 38 1HG GLU 38 25.161 2.081 -0.155 346 2HG GLU 38 2HG GLU 38 23.592 1.278 -0.142 347 H ASP 39 H ASP 39 23.172 6.489 0.935 348 HA ASP 39 HA ASP 39 24.937 7.719 -0.972 349 1HB ASP 39 1HB ASP 39 22.569 8.611 0.625 350 2HB ASP 39 2HB ASP 39 23.617 9.826 -0.102 351 H ASP 40 H ASP 40 24.765 7.433 2.471 352 HA ASP 40 HA ASP 40 26.137 8.123 4.148 353 1HB ASP 40 1HB ASP 40 27.881 8.228 1.745 354 2HB ASP 40 2HB ASP 40 28.456 9.069 3.182 355 H ASP 41 H ASP 41 24.341 9.858 4.077 356 HA ASP 41 HA ASP 41 23.686 12.032 4.287 357 1HB ASP 41 1HB ASP 41 26.552 12.691 4.922 358 2HB ASP 41 2HB ASP 41 25.085 13.383 5.609 359 H1 ALA 1 H1 ALA 1 29.603 -10.442 -4.344 360 H2 ALA 1 H2 ALA 1 30.481 -9.975 -5.743 361 H3 ALA 1 H3 ALA 1 31.215 -10.985 -4.567 362 HA ALA 1 HA ALA 1 32.112 -8.951 -4.159 363 1HB ALA 1 1HB ALA 1 29.644 -7.394 -3.930 364 2HB ALA 1 2HB ALA 1 31.177 -6.990 -4.705 365 3HB ALA 1 3HB ALA 1 29.988 -7.973 -5.560 366 H LEU 2 H LEU 2 31.019 -7.134 -2.315 367 HA LEU 2 HA LEU 2 30.301 -8.918 -0.082 368 1HB LEU 2 1HB LEU 2 32.649 -7.585 -0.307 369 2HB LEU 2 2HB LEU 2 31.688 -6.391 0.545 370 HG LEU 2 HG LEU 2 32.833 -7.625 2.205 371 1HD1 LEU 2 1HD1 LEU 2 30.460 -7.188 2.678 372 2HD1 LEU 2 2HD1 LEU 2 30.052 -8.774 2.025 373 3HD1 LEU 2 3HD1 LEU 2 31.045 -8.647 3.477 374 1HD2 LEU 2 1HD2 LEU 2 33.136 -9.592 0.480 375 2HD2 LEU 2 2HD2 LEU 2 33.220 -9.879 2.219 376 3HD2 LEU 2 3HD2 LEU 2 31.741 -10.251 1.333 377 H LYS 3 H LYS 3 30.019 -5.665 -1.436 378 HA LYS 3 HA LYS 3 27.600 -5.275 0.202 379 1HB LYS 3 1HB LYS 3 29.637 -3.279 -0.777 380 2HB LYS 3 2HB LYS 3 28.051 -2.797 -0.189 381 1HG LYS 3 1HG LYS 3 29.130 -2.611 1.770 382 2HG LYS 3 2HG LYS 3 28.856 -4.353 1.854 383 1HD LYS 3 1HD LYS 3 31.038 -4.842 1.525 384 2HD LYS 3 2HD LYS 3 31.274 -3.507 0.395 385 1HE LYS 3 1HE LYS 3 32.232 -2.313 2.001 386 2HE LYS 3 2HE LYS 3 30.753 -2.404 2.957 387 1HZ LYS 3 1HZ LYS 3 32.140 -4.846 3.148 388 2HZ LYS 3 2HZ LYS 3 33.210 -3.586 3.502 389 3HZ LYS 3 3HZ LYS 3 31.769 -3.744 4.375 390 H LYS 4 H LYS 4 27.902 -6.551 -2.455 391 HA LYS 4 HA LYS 4 26.641 -4.656 -4.268 392 1HB LYS 4 1HB LYS 4 26.932 -6.303 -5.969 393 2HB LYS 4 2HB LYS 4 28.413 -6.273 -5.022 394 1HG LYS 4 1HG LYS 4 28.145 -8.510 -5.121 395 2HG LYS 4 2HG LYS 4 27.126 -8.207 -3.712 396 1HD LYS 4 1HD LYS 4 25.144 -8.266 -5.040 397 2HD LYS 4 2HD LYS 4 26.079 -8.281 -6.537 398 1HE LYS 4 1HE LYS 4 26.888 -10.482 -6.095 399 2HE LYS 4 2HE LYS 4 26.225 -10.459 -4.462 400 1HZ LYS 4 1HZ LYS 4 24.423 -10.131 -6.764 401 2HZ LYS 4 2HZ LYS 4 24.964 -11.678 -6.346 402 3HZ LYS 4 3HZ LYS 4 24.094 -10.754 -5.227 403 H HIS 5 H HIS 5 25.844 -7.531 -2.411 404 HA HIS 5 HA HIS 5 23.345 -8.102 -3.524 405 1HB HIS 5 1HB HIS 5 22.859 -9.117 -1.240 406 2HB HIS 5 2HB HIS 5 24.290 -9.719 -2.070 407 HD1 HIS 5 HD1 HIS 5 26.089 -10.094 -0.431 408 HD2 HIS 5 HD2 HIS 5 23.853 -6.715 0.493 409 HE1 HIS 5 HE1 HIS 5 27.157 -9.123 1.629 410 HE2 HIS 5 HE2 HIS 5 25.789 -7.078 2.170 411 H HIS 6 H HIS 6 24.358 -5.584 -1.377 412 HA HIS 6 HA HIS 6 21.899 -4.925 -0.197 413 1HB HIS 6 1HB HIS 6 24.526 -3.862 -0.244 414 2HB HIS 6 2HB HIS 6 23.434 -2.552 -0.682 415 HD1 HIS 6 HD1 HIS 6 22.282 -5.179 1.706 416 HD2 HIS 6 HD2 HIS 6 23.802 -1.313 1.810 417 HE1 HIS 6 HE1 HIS 6 21.917 -4.376 4.062 418 HE2 HIS 6 HE2 HIS 6 22.843 -2.034 4.102 419 H GLU 7 H GLU 7 23.346 -3.986 -3.274 420 HA GLU 7 HA GLU 7 21.464 -2.014 -3.976 421 1HB GLU 7 1HB GLU 7 23.577 -3.542 -5.333 422 2HB GLU 7 2HB GLU 7 22.259 -3.046 -6.386 423 1HG GLU 7 1HG GLU 7 23.244 -0.937 -4.614 424 2HG GLU 7 2HG GLU 7 24.431 -1.534 -5.772 425 H ASN 8 H ASN 8 21.366 -5.475 -4.047 426 HA ASN 8 HA ASN 8 19.213 -5.727 -5.902 427 1HB ASN 8 1HB ASN 8 20.986 -7.488 -4.844 428 2HB ASN 8 2HB ASN 8 19.566 -7.843 -3.865 429 2HD2 ASN 8 2HD2 ASN 8 20.561 -9.760 -5.481 430 1HD2 ASN 8 1HD2 ASN 8 19.502 -10.033 -6.819 431 H GLU 9 H GLU 9 19.377 -6.100 -2.356 432 HA GLU 9 HA GLU 9 16.596 -6.287 -1.966 433 1HB GLU 9 1HB GLU 9 18.915 -6.319 -0.354 434 2HB GLU 9 2HB GLU 9 17.882 -5.052 0.291 435 1HG GLU 9 1HG GLU 9 16.131 -7.128 -0.136 436 2HG GLU 9 2HG GLU 9 17.597 -7.938 0.414 437 H ILE 10 H ILE 10 18.651 -3.605 -2.609 438 HA ILE 10 HA ILE 10 16.956 -1.593 -1.499 439 HB ILE 10 HB ILE 10 19.570 -1.724 -2.674 440 1HG1 ILE 10 1HG1 ILE 10 18.659 0.821 -1.518 441 2HG1 ILE 10 2HG1 ILE 10 18.373 -0.598 -0.517 442 1HG2 ILE 10 1HG2 ILE 10 18.370 -0.687 -4.667 443 2HG2 ILE 10 2HG2 ILE 10 18.137 0.729 -3.642 444 3HG2 ILE 10 3HG2 ILE 10 19.765 0.175 -4.026 445 1HD1 ILE 10 1HD1 ILE 10 20.822 -1.161 -0.909 446 2HD1 ILE 10 2HD1 ILE 10 20.978 0.487 -1.517 447 3HD1 ILE 10 3HD1 ILE 10 20.460 0.206 0.145 448 H SER 11 H SER 11 17.545 -2.847 -4.767 449 HA SER 11 HA SER 11 15.706 -1.117 -6.057 450 1HB SER 11 1HB SER 11 17.605 -2.486 -7.117 451 2HB SER 11 2HB SER 11 16.487 -3.848 -7.071 452 HG SER 11 HG SER 11 15.626 -1.424 -8.184 453 H HIS 12 H HIS 12 15.376 -4.091 -4.311 454 HA HIS 12 HA HIS 12 12.805 -4.762 -5.373 455 1HB HIS 12 1HB HIS 12 13.466 -6.728 -4.518 456 2HB HIS 12 2HB HIS 12 14.758 -5.959 -3.616 457 HD1 HIS 12 HD1 HIS 12 11.060 -6.749 -3.229 458 HD2 HIS 12 HD2 HIS 12 14.450 -6.071 -0.925 459 HE1 HIS 12 HE1 HIS 12 10.365 -7.221 -0.857 460 HE2 HIS 12 HE2 HIS 12 12.434 -6.807 0.521 461 H HIS 13 H HIS 13 13.961 -3.219 -2.378 462 HA HIS 13 HA HIS 13 11.418 -2.881 -1.207 463 1HB HIS 13 1HB HIS 13 13.823 -1.082 -0.871 464 2HB HIS 13 2HB HIS 13 12.461 -1.228 0.229 465 HD1 HIS 13 HD1 HIS 13 12.500 -4.457 0.063 466 HD2 HIS 13 HD2 HIS 13 15.642 -1.921 1.029 467 HE1 HIS 13 HE1 HIS 13 14.093 -5.853 1.421 468 HE2 HIS 13 HE2 HIS 13 15.993 -4.299 1.996 469 H ALA 14 H ALA 14 13.168 -1.106 -3.642 470 HA ALA 14 HA ALA 14 11.658 1.284 -3.574 471 1HB ALA 14 1HB ALA 14 13.780 0.197 -5.140 472 2HB ALA 14 2HB ALA 14 12.540 0.831 -6.222 473 3HB ALA 14 3HB ALA 14 13.259 1.875 -4.997 474 H LYS 15 H LYS 15 11.485 -1.516 -5.773 475 HA LYS 15 HA LYS 15 9.102 -0.664 -7.044 476 1HB LYS 15 1HB LYS 15 10.491 -3.331 -6.856 477 2HB LYS 15 2HB LYS 15 8.986 -3.126 -7.741 478 1HG LYS 15 1HG LYS 15 10.158 -1.312 -9.056 479 2HG LYS 15 2HG LYS 15 11.655 -1.876 -8.312 480 1HD LYS 15 1HD LYS 15 9.772 -3.523 -9.999 481 2HD LYS 15 2HD LYS 15 11.343 -2.895 -10.501 482 1HE LYS 15 1HE LYS 15 11.792 -4.285 -8.107 483 2HE LYS 15 2HE LYS 15 10.714 -5.302 -9.061 484 1HZ LYS 15 1HZ LYS 15 12.846 -4.185 -10.614 485 2HZ LYS 15 2HZ LYS 15 13.414 -5.141 -9.339 486 3HZ LYS 15 3HZ LYS 15 12.343 -5.796 -10.472 487 H GLU 16 H GLU 16 9.693 -2.039 -3.979 488 HA GLU 16 HA GLU 16 7.128 -3.321 -3.713 489 1HB GLU 16 1HB GLU 16 9.568 -3.044 -2.088 490 2HB GLU 16 2HB GLU 16 8.071 -3.117 -1.167 491 1HG GLU 16 1HG GLU 16 8.907 -5.141 -3.231 492 2HG GLU 16 2HG GLU 16 9.155 -5.314 -1.494 493 H ILE 17 H ILE 17 8.578 -0.232 -2.835 494 HA ILE 17 HA ILE 17 6.329 0.557 -1.204 495 HB ILE 17 HB ILE 17 8.465 1.492 -0.637 496 1HG1 ILE 17 1HG1 ILE 17 6.598 3.532 -1.860 497 2HG1 ILE 17 2HG1 ILE 17 6.641 2.987 -0.186 498 1HG2 ILE 17 1HG2 ILE 17 8.535 2.444 -3.487 499 2HG2 ILE 17 2HG2 ILE 17 9.601 3.079 -2.234 500 3HG2 ILE 17 3HG2 ILE 17 9.669 1.371 -2.664 501 1HD1 ILE 17 1HD1 ILE 17 9.060 3.946 -0.234 502 2HD1 ILE 17 2HD1 ILE 17 8.459 4.858 -1.619 503 3HD1 ILE 17 3HD1 ILE 17 7.678 5.025 -0.047 504 H GLU 18 H GLU 18 7.368 0.967 -4.522 505 HA GLU 18 HA GLU 18 5.342 2.913 -5.144 506 1HB GLU 18 1HB GLU 18 7.114 1.263 -6.956 507 2HB GLU 18 2HB GLU 18 6.082 2.586 -7.483 508 1HG GLU 18 1HG GLU 18 7.911 3.299 -5.320 509 2HG GLU 18 2HG GLU 18 8.713 2.799 -6.809 510 H ARG 19 H ARG 19 5.760 -0.566 -5.457 511 HA ARG 19 HA ARG 19 3.383 -0.953 -7.008 512 1HB ARG 19 1HB ARG 19 5.203 -2.829 -5.508 513 2HB ARG 19 2HB ARG 19 3.749 -3.389 -6.319 514 1HG ARG 19 1HG ARG 19 5.904 -1.853 -7.740 515 2HG ARG 19 2HG ARG 19 5.913 -3.612 -7.598 516 1HD ARG 19 1HD ARG 19 3.338 -2.652 -8.480 517 2HD ARG 19 2HD ARG 19 4.625 -2.081 -9.542 518 HE ARG 19 HE ARG 19 3.599 -4.702 -9.422 519 1HH1 ARG 19 1HH1 ARG 19 6.616 -2.986 -9.699 520 2HH1 ARG 19 2HH1 ARG 19 7.407 -4.254 -10.575 521 1HH2 ARG 19 1HH2 ARG 19 4.630 -6.379 -10.575 522 2HH2 ARG 19 2HH2 ARG 19 6.277 -6.183 -11.074 523 H LEU 20 H LEU 20 4.195 -0.959 -3.596 524 HA LEU 20 HA LEU 20 1.725 -2.101 -2.731 525 1HB LEU 20 1HB LEU 20 4.051 -0.784 -1.432 526 2HB LEU 20 2HB LEU 20 2.543 -0.797 -0.544 527 HG LEU 20 HG LEU 20 4.206 -2.684 -0.085 528 1HD1 LEU 20 1HD1 LEU 20 1.625 -2.530 0.351 529 2HD1 LEU 20 2HD1 LEU 20 1.561 -3.799 -0.873 530 3HD1 LEU 20 3HD1 LEU 20 2.497 -4.043 0.602 531 1HD2 LEU 20 1HD2 LEU 20 4.196 -2.997 -2.785 532 2HD2 LEU 20 2HD2 LEU 20 4.677 -4.241 -1.633 533 3HD2 LEU 20 3HD2 LEU 20 3.040 -4.230 -2.287 534 H GLN 21 H GLN 21 2.927 1.148 -3.301 535 HA GLN 21 HA GLN 21 0.800 2.558 -2.099 536 1HB GLN 21 1HB GLN 21 3.106 3.169 -3.731 537 2HB GLN 21 2HB GLN 21 1.713 4.103 -4.257 538 1HG GLN 21 1HG GLN 21 1.410 4.752 -1.830 539 2HG GLN 21 2HG GLN 21 3.008 4.064 -1.551 540 2HE2 GLN 21 2HE2 GLN 21 4.812 5.022 -2.586 541 1HE2 GLN 21 1HE2 GLN 21 4.765 6.669 -3.103 542 H LYS 22 H LYS 22 1.339 1.456 -5.434 543 HA LYS 22 HA LYS 22 -1.010 2.562 -6.525 544 1HB LYS 22 1HB LYS 22 1.057 0.676 -7.358 545 2HB LYS 22 2HB LYS 22 -0.525 0.277 -8.013 546 1HG LYS 22 1HG LYS 22 -0.218 1.798 -9.586 547 2HG LYS 22 2HG LYS 22 -0.207 3.050 -8.342 548 1HD LYS 22 1HD LYS 22 1.818 3.349 -9.475 549 2HD LYS 22 2HD LYS 22 2.263 2.445 -8.025 550 1HE LYS 22 1HE LYS 22 3.371 1.188 -9.555 551 2HE LYS 22 2HE LYS 22 1.802 0.390 -9.651 552 1HZ LYS 22 1HZ LYS 22 1.748 2.545 -11.411 553 2HZ LYS 22 2HZ LYS 22 3.210 1.738 -11.678 554 3HZ LYS 22 3HZ LYS 22 1.748 0.895 -11.791 555 H GLU 23 H GLU 23 -0.351 -0.494 -4.916 556 HA GLU 23 HA GLU 23 -2.791 -1.771 -5.502 557 1HB GLU 23 1HB GLU 23 -0.616 -2.743 -4.498 558 2HB GLU 23 2HB GLU 23 -1.265 -2.216 -2.950 559 1HG GLU 23 1HG GLU 23 -1.903 -4.443 -3.110 560 2HG GLU 23 2HG GLU 23 -3.350 -3.548 -3.568 561 H ILE 24 H ILE 24 -1.810 0.346 -2.838 562 HA ILE 24 HA ILE 24 -4.160 0.042 -1.315 563 HB ILE 24 HB ILE 24 -3.381 1.662 0.096 564 1HG1 ILE 24 1HG1 ILE 24 -1.784 3.551 -0.845 565 2HG1 ILE 24 2HG1 ILE 24 -2.587 3.166 -2.364 566 1HG2 ILE 24 1HG2 ILE 24 -1.473 0.026 -0.856 567 2HG2 ILE 24 2HG2 ILE 24 -0.720 1.594 -1.146 568 3HG2 ILE 24 3HG2 ILE 24 -1.233 1.150 0.481 569 1HD1 ILE 24 1HD1 ILE 24 -4.582 3.411 -0.371 570 2HD1 ILE 24 2HD1 ILE 24 -3.501 4.800 -0.243 571 3HD1 ILE 24 3HD1 ILE 24 -4.292 4.438 -1.778 572 H GLU 25 H GLU 25 -3.304 2.198 -3.955 573 HA GLU 25 HA GLU 25 -5.500 3.926 -3.851 574 1HB GLU 25 1HB GLU 25 -3.378 4.066 -5.301 575 2HB GLU 25 2HB GLU 25 -4.233 3.018 -6.425 576 1HG GLU 25 1HG GLU 25 -4.972 4.911 -7.333 577 2HG GLU 25 2HG GLU 25 -6.083 4.964 -5.964 578 H ARG 26 H ARG 26 -5.075 0.830 -5.531 579 HA ARG 26 HA ARG 26 -7.496 0.745 -6.895 580 1HB ARG 26 1HB ARG 26 -5.389 -0.938 -6.679 581 2HB ARG 26 2HB ARG 26 -6.568 -1.802 -5.702 582 1HG ARG 26 1HG ARG 26 -8.109 -1.886 -7.549 583 2HG ARG 26 2HG ARG 26 -7.035 -0.889 -8.532 584 1HD ARG 26 1HD ARG 26 -5.298 -2.686 -8.269 585 2HD ARG 26 2HD ARG 26 -6.549 -3.688 -7.535 586 HE ARG 26 HE ARG 26 -7.610 -2.880 -9.923 587 1HH1 ARG 26 1HH1 ARG 26 -4.728 -4.563 -8.932 588 2HH1 ARG 26 2HH1 ARG 26 -4.614 -5.493 -10.390 589 1HH2 ARG 26 1HH2 ARG 26 -7.469 -4.097 -11.846 590 2HH2 ARG 26 2HH2 ARG 26 -6.172 -5.226 -12.047 591 H HIS 27 H HIS 27 -6.712 -0.444 -3.638 592 HA HIS 27 HA HIS 27 -9.309 -1.344 -3.006 593 1HB HIS 27 1HB HIS 27 -6.803 -0.819 -1.538 594 2HB HIS 27 2HB HIS 27 -8.269 -0.690 -0.572 595 HD1 HIS 27 HD1 HIS 27 -9.912 -2.913 -0.861 596 HD2 HIS 27 HD2 HIS 27 -5.865 -3.348 -1.702 597 HE1 HIS 27 HE1 HIS 27 -9.463 -5.385 -0.747 598 HE2 HIS 27 HE2 HIS 27 -7.008 -5.626 -1.260 599 H LYS 28 H LYS 28 -7.850 1.795 -3.037 600 HA LYS 28 HA LYS 28 -9.773 3.073 -1.346 601 1HB LYS 28 1HB LYS 28 -7.538 4.010 -1.610 602 2HB LYS 28 2HB LYS 28 -7.804 4.216 -3.335 603 1HG LYS 28 1HG LYS 28 -9.704 5.759 -2.743 604 2HG LYS 28 2HG LYS 28 -9.127 5.690 -1.077 605 1HD LYS 28 1HD LYS 28 -7.457 6.551 -3.437 606 2HD LYS 28 2HD LYS 28 -8.283 7.656 -2.337 607 1HE LYS 28 1HE LYS 28 -6.372 5.587 -1.311 608 2HE LYS 28 2HE LYS 28 -5.791 7.132 -1.928 609 1HZ LYS 28 1HZ LYS 28 -7.914 7.050 0.115 610 2HZ LYS 28 2HZ LYS 28 -6.293 6.894 0.568 611 3HZ LYS 28 3HZ LYS 28 -6.817 8.290 -0.231 612 H GLN 29 H GLN 29 -9.562 2.268 -4.707 613 HA GLN 29 HA GLN 29 -11.582 4.113 -5.577 614 1HB GLN 29 1HB GLN 29 -9.757 3.183 -7.044 615 2HB GLN 29 2HB GLN 29 -10.597 1.638 -7.003 616 1HG GLN 29 1HG GLN 29 -12.497 2.565 -8.116 617 2HG GLN 29 2HG GLN 29 -11.834 4.194 -7.995 618 2HE2 GLN 29 2HE2 GLN 29 -11.642 4.690 -10.105 619 1HE2 GLN 29 1HE2 GLN 29 -10.645 3.833 -11.225 620 H SER 30 H SER 30 -11.461 0.771 -4.526 621 HA SER 30 HA SER 30 -14.160 0.172 -5.291 622 1HB SER 30 1HB SER 30 -12.016 -1.227 -3.747 623 2HB SER 30 2HB SER 30 -13.680 -1.783 -3.568 624 HG SER 30 HG SER 30 -11.958 -2.137 -5.630 625 H ILE 31 H ILE 31 -12.536 1.127 -2.303 626 HA ILE 31 HA ILE 31 -14.914 0.950 -0.704 627 HB ILE 31 HB ILE 31 -12.776 0.627 0.356 628 1HG1 ILE 31 1HG1 ILE 31 -12.869 2.594 2.073 629 2HG1 ILE 31 2HG1 ILE 31 -14.321 3.061 1.198 630 1HG2 ILE 31 1HG2 ILE 31 -11.903 2.661 -1.305 631 2HG2 ILE 31 2HG2 ILE 31 -11.798 3.350 0.315 632 3HG2 ILE 31 3HG2 ILE 31 -10.962 1.844 -0.057 633 1HD1 ILE 31 1HD1 ILE 31 -14.038 0.264 2.165 634 2HD1 ILE 31 2HD1 ILE 31 -14.467 1.540 3.299 635 3HD1 ILE 31 3HD1 ILE 31 -15.494 1.222 1.903 636 H LYS 32 H LYS 32 -13.369 3.380 -2.646 637 HA LYS 32 HA LYS 32 -14.870 5.568 -1.501 638 1HB LYS 32 1HB LYS 32 -12.635 6.001 -2.353 639 2HB LYS 32 2HB LYS 32 -13.096 5.415 -3.945 640 1HG LYS 32 1HG LYS 32 -13.123 7.743 -4.123 641 2HG LYS 32 2HG LYS 32 -14.820 7.284 -3.962 642 1HD LYS 32 1HD LYS 32 -14.520 9.135 -2.529 643 2HD LYS 32 2HD LYS 32 -14.553 7.719 -1.477 644 1HE LYS 32 1HE LYS 32 -12.558 8.263 -0.672 645 2HE LYS 32 2HE LYS 32 -11.867 8.153 -2.290 646 1HZ LYS 32 1HZ LYS 32 -12.747 10.496 -2.601 647 2HZ LYS 32 2HZ LYS 32 -12.958 10.537 -0.923 648 3HZ LYS 32 3HZ LYS 32 -11.413 10.313 -1.576 649 H LYS 33 H LYS 33 -15.148 3.355 -4.172 650 HA LYS 33 HA LYS 33 -17.215 4.871 -5.499 651 1HB LYS 33 1HB LYS 33 -15.641 3.428 -6.758 652 2HB LYS 33 2HB LYS 33 -16.318 2.019 -5.955 653 1HG LYS 33 1HG LYS 33 -18.554 2.726 -6.936 654 2HG LYS 33 2HG LYS 33 -17.627 3.830 -7.954 655 1HD LYS 33 1HD LYS 33 -16.315 1.915 -8.789 656 2HD LYS 33 2HD LYS 33 -17.313 0.832 -7.816 657 1HE LYS 33 1HE LYS 33 -18.833 0.753 -9.430 658 2HE LYS 33 2HE LYS 33 -19.027 2.504 -9.354 659 1HZ LYS 33 1HZ LYS 33 -16.789 2.359 -10.747 660 2HZ LYS 33 2HZ LYS 33 -17.476 0.885 -11.214 661 3HZ LYS 33 3HZ LYS 33 -18.316 2.329 -11.476 662 H LEU 34 H LEU 34 -16.987 2.199 -3.251 663 HA LEU 34 HA LEU 34 -19.782 1.528 -3.429 664 1HB LEU 34 1HB LEU 34 -17.410 0.456 -2.153 665 2HB LEU 34 2HB LEU 34 -18.772 0.475 -1.050 666 HG LEU 34 HG LEU 34 -19.594 -0.567 -3.606 667 1HD1 LEU 34 1HD1 LEU 34 -16.948 -1.345 -2.736 668 2HD1 LEU 34 2HD1 LEU 34 -18.049 -2.721 -2.796 669 3HD1 LEU 34 3HD1 LEU 34 -17.804 -1.726 -4.231 670 1HD2 LEU 34 1HD2 LEU 34 -19.441 -1.662 -0.805 671 2HD2 LEU 34 2HD2 LEU 34 -20.846 -0.979 -1.621 672 3HD2 LEU 34 3HD2 LEU 34 -20.181 -2.523 -2.154 673 H LYS 35 H LYS 35 -17.743 3.549 -1.441 674 HA LYS 35 HA LYS 35 -19.758 4.003 0.567 675 1HB LYS 35 1HB LYS 35 -17.217 4.115 0.890 676 2HB LYS 35 2HB LYS 35 -17.302 5.688 0.109 677 1HG LYS 35 1HG LYS 35 -19.173 5.259 2.343 678 2HG LYS 35 2HG LYS 35 -17.461 5.326 2.762 679 1HD LYS 35 1HD LYS 35 -18.528 7.402 0.922 680 2HD LYS 35 2HD LYS 35 -18.960 7.510 2.630 681 1HE LYS 35 1HE LYS 35 -16.267 6.996 2.722 682 2HE LYS 35 2HE LYS 35 -16.412 8.024 1.296 683 1HZ LYS 35 1HZ LYS 35 -17.984 9.090 3.371 684 2HZ LYS 35 2HZ LYS 35 -16.427 8.799 3.968 685 3HZ LYS 35 3HZ LYS 35 -16.640 9.777 2.605 686 H GLN 36 H GLN 36 -18.679 5.536 -2.380 687 HA GLN 36 HA GLN 36 -20.157 7.967 -1.920 688 1HB GLN 36 1HB GLN 36 -18.135 8.076 -3.245 689 2HB GLN 36 2HB GLN 36 -18.764 6.883 -4.373 690 1HG GLN 36 1HG GLN 36 -20.640 8.986 -4.257 691 2HG GLN 36 2HG GLN 36 -19.042 9.715 -4.412 692 2HE2 GLN 36 2HE2 GLN 36 -21.256 9.575 -6.323 693 1HE2 GLN 36 1HE2 GLN 36 -20.614 8.815 -7.736 694 H SER 37 H SER 37 -20.692 4.897 -3.465 695 HA SER 37 HA SER 37 -23.028 5.753 -4.915 696 1HB SER 37 1HB SER 37 -21.395 3.780 -5.453 697 2HB SER 37 2HB SER 37 -22.408 2.876 -4.329 698 HG SER 37 HG SER 37 -23.647 2.610 -6.001 699 H GLU 38 H GLU 38 -22.319 4.402 -1.793 700 HA GLU 38 HA GLU 38 -25.012 3.572 -1.234 701 1HB GLU 38 1HB GLU 38 -22.477 3.189 -0.062 702 2HB GLU 38 2HB GLU 38 -23.452 4.016 1.145 703 1HG GLU 38 1HG GLU 38 -25.156 2.083 0.198 704 2HG GLU 38 2HG GLU 38 -23.589 1.276 0.185 705 H ASP 39 H ASP 39 -23.167 6.486 -0.916 706 HA ASP 39 HA ASP 39 -24.924 7.721 0.998 707 1HB ASP 39 1HB ASP 39 -22.561 8.607 -0.610 708 2HB ASP 39 2HB ASP 39 -23.605 9.825 0.113 709 H ASP 40 H ASP 40 -24.762 7.427 -2.446 710 HA ASP 40 HA ASP 40 -26.138 8.113 -4.121 711 1HB ASP 40 1HB ASP 40 -27.877 8.224 -1.714 712 2HB ASP 40 2HB ASP 40 -28.455 9.060 -3.152 713 H ASP 41 H ASP 41 -24.341 9.847 -4.054 714 HA ASP 41 HA ASP 41 -23.688 12.020 -4.275 715 1HB ASP 41 1HB ASP 41 -26.555 12.677 -4.904 716 2HB ASP 41 2HB ASP 41 -25.089 13.368 -5.596 No H/Q in entry = 716 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -33.061 -8.378 3.664 2 H2 ALA 1 H2 ALA 1 -32.435 -7.894 5.187 3 H3 ALA 1 H3 ALA 1 -33.574 -6.903 4.375 4 HA ALA 1 HA ALA 1 -32.107 -6.118 2.918 5 1HB ALA 1 1HB ALA 1 -29.778 -6.420 4.458 6 2HB ALA 1 2HB ALA 1 -31.127 -6.402 5.594 7 3HB ALA 1 3HB ALA 1 -30.909 -5.067 4.461 8 H LEU 2 H LEU 2 -31.791 -7.282 1.084 9 HA LEU 2 HA LEU 2 -30.199 -9.679 1.058 10 1HB LEU 2 1HB LEU 2 -32.198 -9.083 -0.457 11 2HB LEU 2 2HB LEU 2 -31.046 -8.128 -1.370 12 HG LEU 2 HG LEU 2 -30.041 -10.805 -0.934 13 1HD1 LEU 2 1HD1 LEU 2 -32.650 -11.038 -0.960 14 2HD1 LEU 2 2HD1 LEU 2 -32.445 -10.791 -2.694 15 3HD1 LEU 2 3HD1 LEU 2 -31.638 -12.140 -1.893 16 1HD2 LEU 2 1HD2 LEU 2 -29.352 -9.057 -2.632 17 2HD2 LEU 2 2HD2 LEU 2 -29.575 -10.695 -3.245 18 3HD2 LEU 2 3HD2 LEU 2 -30.820 -9.475 -3.516 19 H LYS 3 H LYS 3 -29.683 -6.296 0.532 20 HA LYS 3 HA LYS 3 -27.070 -6.764 -0.689 21 1HB LYS 3 1HB LYS 3 -28.860 -4.393 -0.378 22 2HB LYS 3 2HB LYS 3 -27.134 -4.122 -0.579 23 1HG LYS 3 1HG LYS 3 -27.328 -5.639 -2.633 24 2HG LYS 3 2HG LYS 3 -29.068 -5.383 -2.486 25 1HD LYS 3 1HD LYS 3 -28.388 -2.860 -2.373 26 2HD LYS 3 2HD LYS 3 -26.908 -3.428 -3.147 27 1HE LYS 3 1HE LYS 3 -29.520 -4.304 -4.267 28 2HE LYS 3 2HE LYS 3 -28.998 -2.646 -4.559 29 1HZ LYS 3 1HZ LYS 3 -26.919 -3.532 -5.471 30 2HZ LYS 3 2HZ LYS 3 -27.493 -5.109 -5.257 31 3HZ LYS 3 3HZ LYS 3 -28.267 -4.066 -6.340 32 H LYS 4 H LYS 4 -27.712 -7.408 2.141 33 HA LYS 4 HA LYS 4 -26.435 -5.489 3.810 34 1HB LYS 4 1HB LYS 4 -28.052 -7.557 4.326 35 2HB LYS 4 2HB LYS 4 -26.510 -8.347 4.626 36 1HG LYS 4 1HG LYS 4 -26.557 -5.787 5.911 37 2HG LYS 4 2HG LYS 4 -27.978 -6.725 6.372 38 1HD LYS 4 1HD LYS 4 -26.757 -8.065 7.667 39 2HD LYS 4 2HD LYS 4 -25.611 -8.374 6.361 40 1HE LYS 4 1HE LYS 4 -24.157 -7.302 7.698 41 2HE LYS 4 2HE LYS 4 -24.924 -5.849 7.059 42 1HZ LYS 4 1HZ LYS 4 -26.333 -6.952 9.295 43 2HZ LYS 4 2HZ LYS 4 -24.740 -6.531 9.685 44 3HZ LYS 4 3HZ LYS 4 -25.788 -5.371 9.038 45 H HIS 5 H HIS 5 -25.359 -8.388 2.125 46 HA HIS 5 HA HIS 5 -22.864 -8.730 3.294 47 1HB HIS 5 1HB HIS 5 -22.244 -9.957 1.314 48 2HB HIS 5 2HB HIS 5 -23.937 -10.289 1.664 49 HD1 HIS 5 HD1 HIS 5 -22.062 -10.034 -1.154 50 HD2 HIS 5 HD2 HIS 5 -25.409 -7.910 0.092 51 HE1 HIS 5 HE1 HIS 5 -23.082 -9.094 -3.253 52 HE2 HIS 5 HE2 HIS 5 -25.107 -7.813 -2.475 53 H HIS 6 H HIS 6 -23.958 -6.349 1.010 54 HA HIS 6 HA HIS 6 -21.516 -5.506 -0.054 55 1HB HIS 6 1HB HIS 6 -24.231 -4.414 0.176 56 2HB HIS 6 2HB HIS 6 -22.974 -3.185 0.095 57 HD1 HIS 6 HD1 HIS 6 -22.510 -6.382 -1.770 58 HD2 HIS 6 HD2 HIS 6 -23.753 -2.488 -2.514 59 HE1 HIS 6 HE1 HIS 6 -22.561 -6.160 -4.274 60 HE2 HIS 6 HE2 HIS 6 -23.317 -3.795 -4.704 61 H GLU 7 H GLU 7 -23.217 -4.472 2.883 62 HA GLU 7 HA GLU 7 -21.481 -2.422 3.642 63 1HB GLU 7 1HB GLU 7 -23.770 -3.447 4.667 64 2HB GLU 7 2HB GLU 7 -22.603 -4.073 5.824 65 1HG GLU 7 1HG GLU 7 -22.707 -1.172 5.066 66 2HG GLU 7 2HG GLU 7 -23.695 -1.848 6.360 67 H ASN 8 H ASN 8 -21.138 -5.862 3.805 68 HA ASN 8 HA ASN 8 -19.051 -5.918 5.751 69 1HB ASN 8 1HB ASN 8 -19.711 -7.966 3.619 70 2HB ASN 8 2HB ASN 8 -18.726 -8.237 5.053 71 2HD2 ASN 8 2HD2 ASN 8 -19.828 -9.549 6.319 72 1HD2 ASN 8 1HD2 ASN 8 -21.483 -9.362 6.777 73 H GLU 9 H GLU 9 -19.007 -6.435 2.220 74 HA GLU 9 HA GLU 9 -16.235 -6.402 1.912 75 1HB GLU 9 1HB GLU 9 -18.518 -6.455 0.217 76 2HB GLU 9 2HB GLU 9 -17.452 -5.189 -0.374 77 1HG GLU 9 1HG GLU 9 -15.593 -6.922 -0.254 78 2HG GLU 9 2HG GLU 9 -16.879 -8.114 -0.061 79 H ILE 10 H ILE 10 -18.447 -3.849 2.561 80 HA ILE 10 HA ILE 10 -16.900 -1.705 1.526 81 HB ILE 10 HB ILE 10 -19.464 -2.022 2.624 82 1HG1 ILE 10 1HG1 ILE 10 -18.675 0.740 2.077 83 2HG1 ILE 10 2HG1 ILE 10 -18.179 -0.403 0.830 84 1HG2 ILE 10 1HG2 ILE 10 -18.675 -1.464 4.853 85 2HG2 ILE 10 2HG2 ILE 10 -17.955 0.025 4.243 86 3HG2 ILE 10 3HG2 ILE 10 -19.707 -0.184 4.216 87 1HD1 ILE 10 1HD1 ILE 10 -20.766 -1.145 1.321 88 2HD1 ILE 10 2HD1 ILE 10 -20.822 0.610 1.498 89 3HD1 ILE 10 3HD1 ILE 10 -20.223 -0.108 0.002 90 H SER 11 H SER 11 -17.391 -2.943 4.831 91 HA SER 11 HA SER 11 -15.550 -1.210 6.069 92 1HB SER 11 1HB SER 11 -17.287 -3.300 6.871 93 2HB SER 11 2HB SER 11 -15.680 -3.712 7.471 94 HG SER 11 HG SER 11 -16.757 -1.125 7.805 95 H HIS 12 H HIS 12 -15.122 -4.101 4.222 96 HA HIS 12 HA HIS 12 -12.516 -4.703 5.249 97 1HB HIS 12 1HB HIS 12 -13.114 -6.672 4.358 98 2HB HIS 12 2HB HIS 12 -14.436 -5.930 3.474 99 HD1 HIS 12 HD1 HIS 12 -10.710 -6.574 3.068 100 HD2 HIS 12 HD2 HIS 12 -14.127 -5.972 0.784 101 HE1 HIS 12 HE1 HIS 12 -10.003 -6.968 0.686 102 HE2 HIS 12 HE2 HIS 12 -12.088 -6.601 -0.681 103 H HIS 13 H HIS 13 -13.765 -3.112 2.317 104 HA HIS 13 HA HIS 13 -11.231 -2.644 1.151 105 1HB HIS 13 1HB HIS 13 -13.715 -0.958 0.821 106 2HB HIS 13 2HB HIS 13 -12.343 -1.033 -0.273 107 HD1 HIS 13 HD1 HIS 13 -12.235 -4.256 -0.173 108 HD2 HIS 13 HD2 HIS 13 -15.497 -1.853 -1.078 109 HE1 HIS 13 HE1 HIS 13 -13.761 -5.695 -1.562 110 HE2 HIS 13 HE2 HIS 13 -15.734 -4.222 -2.098 111 H ALA 14 H ALA 14 -13.011 -1.080 3.679 112 HA ALA 14 HA ALA 14 -11.652 1.418 3.621 113 1HB ALA 14 1HB ALA 14 -13.879 0.872 4.750 114 2HB ALA 14 2HB ALA 14 -12.761 1.913 5.630 115 3HB ALA 14 3HB ALA 14 -12.911 0.212 6.068 116 H LYS 15 H LYS 15 -11.351 -1.412 5.769 117 HA LYS 15 HA LYS 15 -9.005 -0.453 7.052 118 1HB LYS 15 1HB LYS 15 -10.698 -2.806 7.171 119 2HB LYS 15 2HB LYS 15 -8.998 -3.239 7.283 120 1HG LYS 15 1HG LYS 15 -8.719 -2.203 9.290 121 2HG LYS 15 2HG LYS 15 -9.965 -0.996 8.966 122 1HD LYS 15 1HD LYS 15 -11.604 -2.991 9.102 123 2HD LYS 15 2HD LYS 15 -10.273 -3.824 9.909 124 1HE LYS 15 1HE LYS 15 -11.261 -2.924 11.743 125 2HE LYS 15 2HE LYS 15 -10.235 -1.557 11.306 126 1HZ LYS 15 1HZ LYS 15 -12.747 -1.503 9.945 127 2HZ LYS 15 2HZ LYS 15 -12.944 -1.501 11.625 128 3HZ LYS 15 3HZ LYS 15 -12.005 -0.306 10.883 129 H GLU 16 H GLU 16 -9.549 -1.819 3.981 130 HA GLU 16 HA GLU 16 -6.928 -3.002 3.722 131 1HB GLU 16 1HB GLU 16 -9.340 -2.749 1.985 132 2HB GLU 16 2HB GLU 16 -7.787 -3.036 1.213 133 1HG GLU 16 1HG GLU 16 -9.088 -4.764 3.305 134 2HG GLU 16 2HG GLU 16 -8.949 -5.120 1.583 135 H ILE 17 H ILE 17 -8.561 -0.016 2.793 136 HA ILE 17 HA ILE 17 -6.368 0.870 1.140 137 HB ILE 17 HB ILE 17 -8.579 1.669 0.609 138 1HG1 ILE 17 1HG1 ILE 17 -6.497 3.174 0.383 139 2HG1 ILE 17 2HG1 ILE 17 -8.079 3.927 0.226 140 1HG2 ILE 17 1HG2 ILE 17 -8.595 2.777 3.407 141 2HG2 ILE 17 2HG2 ILE 17 -9.751 3.250 2.161 142 3HG2 ILE 17 3HG2 ILE 17 -9.682 1.576 2.710 143 1HD1 ILE 17 1HD1 ILE 17 -7.274 4.012 2.962 144 2HD1 ILE 17 2HD1 ILE 17 -5.974 4.637 1.946 145 3HD1 ILE 17 3HD1 ILE 17 -7.587 5.343 1.849 146 H GLU 18 H GLU 18 -7.415 1.288 4.457 147 HA GLU 18 HA GLU 18 -5.462 3.323 5.038 148 1HB GLU 18 1HB GLU 18 -7.732 2.152 6.360 149 2HB GLU 18 2HB GLU 18 -6.344 2.117 7.438 150 1HG GLU 18 1HG GLU 18 -7.255 4.590 5.996 151 2HG GLU 18 2HG GLU 18 -7.798 4.146 7.613 152 H ARG 19 H ARG 19 -5.795 -0.158 5.508 153 HA ARG 19 HA ARG 19 -3.379 -0.424 7.017 154 1HB ARG 19 1HB ARG 19 -5.271 -2.041 7.145 155 2HB ARG 19 2HB ARG 19 -4.907 -2.550 5.501 156 1HG ARG 19 1HG ARG 19 -3.305 -3.918 6.192 157 2HG ARG 19 2HG ARG 19 -2.560 -2.661 7.181 158 1HD ARG 19 1HD ARG 19 -5.076 -3.935 8.139 159 2HD ARG 19 2HD ARG 19 -3.569 -4.843 8.263 160 HE ARG 19 HE ARG 19 -4.384 -2.673 9.901 161 1HH1 ARG 19 1HH1 ARG 19 -1.584 -4.108 8.408 162 2HH1 ARG 19 2HH1 ARG 19 -0.479 -3.503 9.596 163 1HH2 ARG 19 1HH2 ARG 19 -2.937 -1.871 11.472 164 2HH2 ARG 19 2HH2 ARG 19 -1.248 -2.232 11.340 165 H LEU 20 H LEU 20 -4.227 -0.431 3.642 166 HA LEU 20 HA LEU 20 -1.801 -1.624 2.718 167 1HB LEU 20 1HB LEU 20 -4.069 -0.151 1.442 168 2HB LEU 20 2HB LEU 20 -2.585 -0.376 0.537 169 HG LEU 20 HG LEU 20 -3.999 -2.713 1.785 170 1HD1 LEU 20 1HD1 LEU 20 -5.178 -1.064 -0.105 171 2HD1 LEU 20 2HD1 LEU 20 -4.495 -2.390 -1.046 172 3HD1 LEU 20 3HD1 LEU 20 -5.622 -2.729 0.268 173 1HD2 LEU 20 1HD2 LEU 20 -1.817 -2.270 -0.172 174 2HD2 LEU 20 2HD2 LEU 20 -1.995 -3.509 1.069 175 3HD2 LEU 20 3HD2 LEU 20 -2.891 -3.642 -0.444 176 H GLN 21 H GLN 21 -2.965 1.667 3.214 177 HA GLN 21 HA GLN 21 -0.804 3.023 2.037 178 1HB GLN 21 1HB GLN 21 -2.860 4.184 2.565 179 2HB GLN 21 2HB GLN 21 -2.655 3.849 4.279 180 1HG GLN 21 1HG GLN 21 -0.997 5.422 4.528 181 2HG GLN 21 2HG GLN 21 -0.556 5.382 2.822 182 2HE2 GLN 21 2HE2 GLN 21 -2.889 6.547 5.150 183 1HE2 GLN 21 1HE2 GLN 21 -3.538 7.806 4.161 184 H LYS 22 H LYS 22 -1.363 1.962 5.383 185 HA LYS 22 HA LYS 22 1.005 3.047 6.459 186 1HB LYS 22 1HB LYS 22 -1.176 1.782 7.497 187 2HB LYS 22 2HB LYS 22 0.050 0.532 7.660 188 1HG LYS 22 1HG LYS 22 1.268 2.876 8.557 189 2HG LYS 22 2HG LYS 22 -0.365 2.905 9.225 190 1HD LYS 22 1HD LYS 22 1.352 0.448 9.387 191 2HD LYS 22 2HD LYS 22 1.476 1.739 10.584 192 1HE LYS 22 1HE LYS 22 -1.174 0.523 9.888 193 2HE LYS 22 2HE LYS 22 -0.102 -0.247 11.057 194 1HZ LYS 22 1HZ LYS 22 -0.131 2.301 11.911 195 2HZ LYS 22 2HZ LYS 22 -1.707 2.137 11.322 196 3HZ LYS 22 3HZ LYS 22 -1.135 1.079 12.511 197 H GLU 23 H GLU 23 0.296 -0.021 4.897 198 HA GLU 23 HA GLU 23 2.718 -1.325 5.511 199 1HB GLU 23 1HB GLU 23 0.370 -1.893 4.030 200 2HB GLU 23 2HB GLU 23 1.733 -2.162 2.952 201 1HG GLU 23 1HG GLU 23 1.739 -4.202 3.872 202 2HG GLU 23 2HG GLU 23 2.619 -3.405 5.175 203 H ILE 24 H ILE 24 1.780 0.812 2.862 204 HA ILE 24 HA ILE 24 4.106 0.407 1.308 205 HB ILE 24 HB ILE 24 3.340 2.005 -0.133 206 1HG1 ILE 24 1HG1 ILE 24 1.801 3.951 0.759 207 2HG1 ILE 24 2HG1 ILE 24 2.577 3.582 2.296 208 1HG2 ILE 24 1HG2 ILE 24 1.432 0.409 0.799 209 2HG2 ILE 24 2HG2 ILE 24 0.705 1.962 1.203 210 3HG2 ILE 24 3HG2 ILE 24 1.141 1.603 -0.465 211 1HD1 ILE 24 1HD1 ILE 24 4.603 3.735 0.330 212 2HD1 ILE 24 2HD1 ILE 24 3.553 5.141 0.144 213 3HD1 ILE 24 3HD1 ILE 24 4.312 4.808 1.700 214 H GLU 25 H GLU 25 3.298 2.669 3.881 215 HA GLU 25 HA GLU 25 5.537 4.333 3.726 216 1HB GLU 25 1HB GLU 25 3.398 4.521 5.187 217 2HB GLU 25 2HB GLU 25 4.297 3.556 6.351 218 1HG GLU 25 1HG GLU 25 4.694 5.726 7.037 219 2HG GLU 25 2HG GLU 25 6.131 5.335 6.094 220 H ARG 26 H ARG 26 5.036 1.298 5.490 221 HA ARG 26 HA ARG 26 7.462 1.203 6.857 222 1HB ARG 26 1HB ARG 26 5.280 -0.507 6.477 223 2HB ARG 26 2HB ARG 26 6.669 -1.418 5.906 224 1HG ARG 26 1HG ARG 26 6.989 -0.030 8.489 225 2HG ARG 26 2HG ARG 26 5.869 -1.393 8.457 226 1HD ARG 26 1HD ARG 26 8.254 -2.079 7.031 227 2HD ARG 26 2HD ARG 26 8.683 -1.454 8.622 228 HE ARG 26 HE ARG 26 6.665 -3.229 9.105 229 1HH1 ARG 26 1HH1 ARG 26 9.761 -3.387 7.519 230 2HH1 ARG 26 2HH1 ARG 26 10.022 -5.054 7.908 231 1HH2 ARG 26 1HH2 ARG 26 6.998 -5.425 9.624 232 2HH2 ARG 26 2HH2 ARG 26 8.450 -6.214 9.106 233 H HIS 27 H HIS 27 6.628 -0.114 3.659 234 HA HIS 27 HA HIS 27 9.192 -1.114 3.060 235 1HB HIS 27 1HB HIS 27 6.682 -0.648 1.618 236 2HB HIS 27 2HB HIS 27 8.112 -0.481 0.605 237 HD1 HIS 27 HD1 HIS 27 9.708 -2.627 0.509 238 HD2 HIS 27 HD2 HIS 27 5.950 -3.226 2.179 239 HE1 HIS 27 HE1 HIS 27 9.364 -5.118 0.514 240 HE2 HIS 27 HE2 HIS 27 7.084 -5.459 1.529 241 H LYS 28 H LYS 28 7.852 2.072 2.980 242 HA LYS 28 HA LYS 28 9.824 3.188 1.219 243 1HB LYS 28 1HB LYS 28 7.475 4.089 1.617 244 2HB LYS 28 2HB LYS 28 8.075 4.705 3.150 245 1HG LYS 28 1HG LYS 28 9.939 5.653 1.401 246 2HG LYS 28 2HG LYS 28 8.461 5.715 0.439 247 1HD LYS 28 1HD LYS 28 8.457 7.780 1.489 248 2HD LYS 28 2HD LYS 28 7.432 6.814 2.552 249 1HE LYS 28 1HE LYS 28 9.379 6.400 4.006 250 2HE LYS 28 2HE LYS 28 10.359 7.427 2.960 251 1HZ LYS 28 1HZ LYS 28 8.462 9.132 3.470 252 2HZ LYS 28 2HZ LYS 28 8.244 8.174 4.846 253 3HZ LYS 28 3HZ LYS 28 9.740 8.910 4.556 254 H GLN 29 H GLN 29 9.542 2.590 4.618 255 HA GLN 29 HA GLN 29 11.585 4.432 5.424 256 1HB GLN 29 1HB GLN 29 9.641 3.360 6.819 257 2HB GLN 29 2HB GLN 29 10.790 2.052 7.060 258 1HG GLN 29 1HG GLN 29 11.556 3.207 8.789 259 2HG GLN 29 2HG GLN 29 12.261 4.319 7.616 260 2HE2 GLN 29 2HE2 GLN 29 11.838 6.351 8.043 261 1HE2 GLN 29 1HE2 GLN 29 10.392 6.970 8.760 262 H SER 30 H SER 30 11.434 1.021 4.586 263 HA SER 30 HA SER 30 14.111 0.438 5.406 264 1HB SER 30 1HB SER 30 12.642 -1.174 3.343 265 2HB SER 30 2HB SER 30 13.734 -1.724 4.614 266 HG SER 30 HG SER 30 11.650 -2.221 5.225 267 H ILE 31 H ILE 31 12.557 1.257 2.346 268 HA ILE 31 HA ILE 31 14.904 0.948 0.756 269 HB ILE 31 HB ILE 31 12.704 0.803 -0.258 270 1HG1 ILE 31 1HG1 ILE 31 13.031 2.572 -2.096 271 2HG1 ILE 31 2HG1 ILE 31 14.467 3.057 -1.199 272 1HG2 ILE 31 1HG2 ILE 31 11.632 2.495 1.240 273 2HG2 ILE 31 2HG2 ILE 31 12.388 3.752 0.267 274 3HG2 ILE 31 3HG2 ILE 31 11.212 2.660 -0.463 275 1HD1 ILE 31 1HD1 ILE 31 13.970 0.279 -2.226 276 2HD1 ILE 31 2HD1 ILE 31 14.907 1.505 -3.074 277 3HD1 ILE 31 3HD1 ILE 31 15.455 0.904 -1.511 278 H LYS 32 H LYS 32 13.578 3.529 2.672 279 HA LYS 32 HA LYS 32 15.184 5.589 1.462 280 1HB LYS 32 1HB LYS 32 12.986 6.063 2.506 281 2HB LYS 32 2HB LYS 32 13.657 5.624 4.071 282 1HG LYS 32 1HG LYS 32 14.233 7.743 4.339 283 2HG LYS 32 2HG LYS 32 15.405 7.537 3.036 284 1HD LYS 32 1HD LYS 32 12.526 8.169 2.466 285 2HD LYS 32 2HD LYS 32 13.691 9.443 2.838 286 1HE LYS 32 1HE LYS 32 14.702 7.578 0.860 287 2HE LYS 32 2HE LYS 32 13.191 8.330 0.349 288 1HZ LYS 32 1HZ LYS 32 14.187 10.503 0.805 289 2HZ LYS 32 2HZ LYS 32 15.646 9.754 1.223 290 3HZ LYS 32 3HZ LYS 32 15.064 9.647 -0.361 291 H LYS 33 H LYS 33 15.371 3.527 4.306 292 HA LYS 33 HA LYS 33 17.676 4.862 5.382 293 1HB LYS 33 1HB LYS 33 16.066 3.674 6.825 294 2HB LYS 33 2HB LYS 33 16.511 2.155 6.060 295 1HG LYS 33 1HG LYS 33 18.924 2.839 6.837 296 2HG LYS 33 2HG LYS 33 18.028 3.819 8.000 297 1HD LYS 33 1HD LYS 33 17.333 0.935 7.613 298 2HD LYS 33 2HD LYS 33 18.709 1.386 8.622 299 1HE LYS 33 1HE LYS 33 17.391 2.391 10.210 300 2HE LYS 33 2HE LYS 33 16.102 2.756 9.063 301 1HZ LYS 33 1HZ LYS 33 16.687 -0.048 9.717 302 2HZ LYS 33 2HZ LYS 33 15.801 0.883 10.816 303 3HZ LYS 33 3HZ LYS 33 15.226 0.661 9.241 304 H LEU 34 H LEU 34 17.075 2.268 3.166 305 HA LEU 34 HA LEU 34 19.744 1.190 3.308 306 1HB LEU 34 1HB LEU 34 17.233 0.497 2.034 307 2HB LEU 34 2HB LEU 34 18.578 0.334 0.922 308 HG LEU 34 HG LEU 34 19.066 -0.857 3.558 309 1HD1 LEU 34 1HD1 LEU 34 16.517 -1.227 2.632 310 2HD1 LEU 34 2HD1 LEU 34 17.373 -2.612 1.955 311 3HD1 LEU 34 3HD1 LEU 34 17.392 -2.329 3.696 312 1HD2 LEU 34 1HD2 LEU 34 19.362 -1.716 0.689 313 2HD2 LEU 34 2HD2 LEU 34 20.630 -1.229 1.814 314 3HD2 LEU 34 3HD2 LEU 34 19.773 -2.750 2.059 315 H LYS 35 H LYS 35 17.979 3.469 1.312 316 HA LYS 35 HA LYS 35 19.999 3.670 -0.706 317 1HB LYS 35 1HB LYS 35 17.356 4.684 -0.275 318 2HB LYS 35 2HB LYS 35 18.421 6.028 -0.662 319 1HG LYS 35 1HG LYS 35 18.787 3.703 -2.390 320 2HG LYS 35 2HG LYS 35 17.177 4.421 -2.478 321 1HD LYS 35 1HD LYS 35 19.756 5.960 -2.764 322 2HD LYS 35 2HD LYS 35 18.786 5.373 -4.116 323 1HE LYS 35 1HE LYS 35 16.934 6.692 -2.591 324 2HE LYS 35 2HE LYS 35 18.378 7.679 -2.365 325 1HZ LYS 35 1HZ LYS 35 18.251 7.087 -5.065 326 2HZ LYS 35 2HZ LYS 35 16.677 7.512 -4.617 327 3HZ LYS 35 3HZ LYS 35 17.955 8.581 -4.328 328 H GLN 36 H GLN 36 19.244 5.355 2.276 329 HA GLN 36 HA GLN 36 21.136 7.471 1.831 330 1HB GLN 36 1HB GLN 36 19.153 7.813 3.238 331 2HB GLN 36 2HB GLN 36 19.734 6.594 4.363 332 1HG GLN 36 1HG GLN 36 21.790 8.516 4.008 333 2HG GLN 36 2HG GLN 36 20.280 9.370 4.321 334 2HE2 GLN 36 2HE2 GLN 36 22.375 6.801 5.522 335 1HE2 GLN 36 1HE2 GLN 36 21.947 6.980 7.186 336 H SER 37 H SER 37 21.138 4.347 3.402 337 HA SER 37 HA SER 37 23.641 4.734 4.747 338 1HB SER 37 1HB SER 37 23.473 2.395 5.348 339 2HB SER 37 2HB SER 37 21.885 3.137 5.534 340 HG SER 37 HG SER 37 22.027 1.035 4.388 341 H GLU 38 H GLU 38 22.620 3.613 1.623 342 HA GLU 38 HA GLU 38 25.067 2.291 0.949 343 1HB GLU 38 1HB GLU 38 22.538 2.348 -0.125 344 2HB GLU 38 2HB GLU 38 23.456 3.299 -1.284 345 1HG GLU 38 1HG GLU 38 24.779 0.825 -0.477 346 2HG GLU 38 2HG GLU 38 23.230 0.582 -1.283 347 H ASP 39 H ASP 39 23.895 5.551 0.827 348 HA ASP 39 HA ASP 39 25.748 6.536 -1.099 349 1HB ASP 39 1HB ASP 39 23.536 7.601 -0.261 350 2HB ASP 39 2HB ASP 39 24.517 8.229 1.059 351 H ASP 40 H ASP 40 25.864 5.951 2.327 352 HA ASP 40 HA ASP 40 28.484 7.274 2.490 353 1HB ASP 40 1HB ASP 40 26.375 7.568 4.160 354 2HB ASP 40 2HB ASP 40 27.220 6.247 4.960 355 H ASP 41 H ASP 41 29.438 5.912 4.747 356 HA ASP 41 HA ASP 41 29.492 3.083 4.133 357 1HB ASP 41 1HB ASP 41 31.717 4.928 3.447 358 2HB ASP 41 2HB ASP 41 32.159 3.393 4.190 359 H1 ALA 1 H1 ALA 1 33.061 -8.376 -3.657 360 H2 ALA 1 H2 ALA 1 32.435 -7.888 -5.180 361 H3 ALA 1 H3 ALA 1 33.573 -6.900 -4.366 362 HA ALA 1 HA ALA 1 32.106 -6.117 -2.909 363 1HB ALA 1 1HB ALA 1 29.778 -6.417 -4.450 364 2HB ALA 1 2HB ALA 1 30.909 -5.064 -4.451 365 3HB ALA 1 3HB ALA 1 31.126 -6.396 -5.585 366 H LEU 2 H LEU 2 31.789 -7.283 -1.076 367 HA LEU 2 HA LEU 2 30.197 -9.681 -1.055 368 1HB LEU 2 1HB LEU 2 32.194 -9.085 0.463 369 2HB LEU 2 2HB LEU 2 31.039 -8.134 1.377 370 HG LEU 2 HG LEU 2 30.037 -10.810 0.935 371 1HD1 LEU 2 1HD1 LEU 2 32.645 -11.043 0.960 372 2HD1 LEU 2 2HD1 LEU 2 32.439 -10.799 2.695 373 3HD1 LEU 2 3HD1 LEU 2 31.633 -12.147 1.892 374 1HD2 LEU 2 1HD2 LEU 2 29.346 -9.067 2.636 375 2HD2 LEU 2 2HD2 LEU 2 29.570 -10.706 3.245 376 3HD2 LEU 2 3HD2 LEU 2 30.813 -9.486 3.520 377 H LYS 3 H LYS 3 29.679 -6.297 -0.525 378 HA LYS 3 HA LYS 3 27.065 -6.767 0.694 379 1HB LYS 3 1HB LYS 3 28.854 -4.395 0.386 380 2HB LYS 3 2HB LYS 3 27.128 -4.126 0.588 381 1HG LYS 3 1HG LYS 3 27.325 -5.646 2.640 382 2HG LYS 3 2HG LYS 3 29.064 -5.388 2.492 383 1HD LYS 3 1HD LYS 3 28.385 -2.866 2.385 384 2HD LYS 3 2HD LYS 3 26.903 -3.436 3.155 385 1HE LYS 3 1HE LYS 3 29.514 -4.314 4.277 386 2HE LYS 3 2HE LYS 3 28.991 -2.657 4.573 387 1HZ LYS 3 1HZ LYS 3 26.910 -3.546 5.480 388 2HZ LYS 3 2HZ LYS 3 27.487 -5.122 5.263 389 3HZ LYS 3 3HZ LYS 3 28.260 -4.082 6.349 390 H LYS 4 H LYS 4 27.711 -7.407 -2.139 391 HA LYS 4 HA LYS 4 26.435 -5.486 -3.805 392 1HB LYS 4 1HB LYS 4 28.053 -7.553 -4.323 393 2HB LYS 4 2HB LYS 4 26.511 -8.343 -4.624 394 1HG LYS 4 1HG LYS 4 26.557 -5.781 -5.907 395 2HG LYS 4 2HG LYS 4 27.979 -6.718 -6.368 396 1HD LYS 4 1HD LYS 4 26.758 -8.056 -7.665 397 2HD LYS 4 2HD LYS 4 25.611 -8.368 -6.360 398 1HE LYS 4 1HE LYS 4 24.159 -7.293 -7.697 399 2HE LYS 4 2HE LYS 4 24.925 -5.841 -7.054 400 1HZ LYS 4 1HZ LYS 4 26.335 -6.939 -9.292 401 2HZ LYS 4 2HZ LYS 4 24.743 -6.518 -9.681 402 3HZ LYS 4 3HZ LYS 4 25.790 -5.359 -9.032 403 H HIS 5 H HIS 5 25.358 -8.387 -2.123 404 HA HIS 5 HA HIS 5 22.863 -8.727 -3.296 405 1HB HIS 5 1HB HIS 5 22.241 -9.959 -1.319 406 2HB HIS 5 2HB HIS 5 23.935 -10.290 -1.668 407 HD1 HIS 5 HD1 HIS 5 22.057 -10.040 1.149 408 HD2 HIS 5 HD2 HIS 5 25.405 -7.914 -0.091 409 HE1 HIS 5 HE1 HIS 5 23.076 -9.105 3.249 410 HE2 HIS 5 HE2 HIS 5 25.102 -7.821 2.476 411 H HIS 6 H HIS 6 23.956 -6.351 -1.007 412 HA HIS 6 HA HIS 6 21.512 -5.510 0.056 413 1HB HIS 6 1HB HIS 6 24.229 -4.418 -0.169 414 2HB HIS 6 2HB HIS 6 22.972 -3.188 -0.087 415 HD1 HIS 6 HD1 HIS 6 22.509 -6.390 1.771 416 HD2 HIS 6 HD2 HIS 6 23.741 -2.494 2.526 417 HE1 HIS 6 HE1 HIS 6 22.557 -6.172 4.276 418 HE2 HIS 6 HE2 HIS 6 23.305 -3.806 4.711 419 H GLU 7 H GLU 7 23.216 -4.477 -2.879 420 HA GLU 7 HA GLU 7 21.484 -2.422 -3.636 421 1HB GLU 7 1HB GLU 7 23.772 -3.449 -4.660 422 2HB GLU 7 2HB GLU 7 22.605 -4.071 -5.818 423 1HG GLU 7 1HG GLU 7 22.714 -1.172 -5.056 424 2HG GLU 7 2HG GLU 7 23.700 -1.849 -6.352 425 H ASN 8 H ASN 8 21.137 -5.861 -3.803 426 HA ASN 8 HA ASN 8 19.052 -5.912 -5.750 427 1HB ASN 8 1HB ASN 8 19.706 -7.964 -3.621 428 2HB ASN 8 2HB ASN 8 18.725 -8.232 -5.059 429 2HD2 ASN 8 2HD2 ASN 8 19.828 -9.543 -6.325 430 1HD2 ASN 8 1HD2 ASN 8 21.484 -9.356 -6.779 431 H GLU 9 H GLU 9 19.006 -6.434 -2.220 432 HA GLU 9 HA GLU 9 16.234 -6.398 -1.915 433 1HB GLU 9 1HB GLU 9 18.515 -6.460 -0.217 434 2HB GLU 9 2HB GLU 9 17.451 -5.190 0.374 435 1HG GLU 9 1HG GLU 9 15.589 -6.919 0.249 436 2HG GLU 9 2HG GLU 9 16.871 -8.114 0.057 437 H ILE 10 H ILE 10 18.448 -3.848 -2.560 438 HA ILE 10 HA ILE 10 16.908 -1.701 -1.521 439 HB ILE 10 HB ILE 10 19.469 -2.022 -2.623 440 1HG1 ILE 10 1HG1 ILE 10 18.686 0.742 -2.082 441 2HG1 ILE 10 2HG1 ILE 10 18.185 -0.396 -0.834 442 1HG2 ILE 10 1HG2 ILE 10 18.682 -1.469 -4.852 443 2HG2 ILE 10 2HG2 ILE 10 17.959 0.021 -4.246 444 3HG2 ILE 10 3HG2 ILE 10 19.710 -0.184 -4.218 445 1HD1 ILE 10 1HD1 ILE 10 20.772 -1.146 -1.318 446 2HD1 ILE 10 2HD1 ILE 10 20.832 0.607 -1.503 447 3HD1 ILE 10 3HD1 ILE 10 20.229 -0.100 -0.004 448 H SER 11 H SER 11 17.394 -2.934 -4.829 449 HA SER 11 HA SER 11 15.551 -1.201 -6.062 450 1HB SER 11 1HB SER 11 17.287 -3.289 -6.869 451 2HB SER 11 2HB SER 11 15.680 -3.699 -7.468 452 HG SER 11 HG SER 11 16.759 -1.112 -7.798 453 H HIS 12 H HIS 12 15.124 -4.090 -4.215 454 HA HIS 12 HA HIS 12 12.518 -4.692 -5.242 455 1HB HIS 12 1HB HIS 12 13.122 -6.662 -4.358 456 2HB HIS 12 2HB HIS 12 14.438 -5.920 -3.467 457 HD1 HIS 12 HD1 HIS 12 10.716 -6.580 -3.076 458 HD2 HIS 12 HD2 HIS 12 14.121 -5.965 -0.779 459 HE1 HIS 12 HE1 HIS 12 10.001 -6.982 -0.698 460 HE2 HIS 12 HE2 HIS 12 12.079 -6.607 0.678 461 H HIS 13 H HIS 13 13.770 -3.099 -2.310 462 HA HIS 13 HA HIS 13 11.233 -2.640 -1.146 463 1HB HIS 13 1HB HIS 13 13.723 -0.964 -0.795 464 2HB HIS 13 2HB HIS 13 12.343 -1.033 0.289 465 HD1 HIS 13 HD1 HIS 13 12.219 -4.256 0.181 466 HD2 HIS 13 HD2 HIS 13 15.485 -1.868 1.107 467 HE1 HIS 13 HE1 HIS 13 13.733 -5.706 1.574 468 HE2 HIS 13 HE2 HIS 13 15.711 -4.241 2.122 469 H ALA 14 H ALA 14 13.014 -1.067 -3.666 470 HA ALA 14 HA ALA 14 11.650 1.429 -3.598 471 1HB ALA 14 1HB ALA 14 13.882 0.901 -4.719 472 2HB ALA 14 2HB ALA 14 12.926 0.236 -6.044 473 3HB ALA 14 3HB ALA 14 12.761 1.936 -5.606 474 H LYS 15 H LYS 15 11.360 -1.397 -5.751 475 HA LYS 15 HA LYS 15 9.021 -0.437 -7.045 476 1HB LYS 15 1HB LYS 15 10.718 -2.782 -7.167 477 2HB LYS 15 2HB LYS 15 9.020 -3.226 -7.274 478 1HG LYS 15 1HG LYS 15 8.727 -2.186 -9.279 479 2HG LYS 15 2HG LYS 15 9.976 -0.979 -8.961 480 1HD LYS 15 1HD LYS 15 11.610 -2.981 -9.103 481 2HD LYS 15 2HD LYS 15 10.274 -3.807 -9.909 482 1HE LYS 15 1HE LYS 15 11.266 -2.905 -11.742 483 2HE LYS 15 2HE LYS 15 10.240 -1.539 -11.302 484 1HZ LYS 15 1HZ LYS 15 12.752 -1.487 -9.942 485 2HZ LYS 15 2HZ LYS 15 12.949 -1.483 -11.621 486 3HZ LYS 15 3HZ LYS 15 12.011 -0.289 -10.878 487 H GLU 16 H GLU 16 9.551 -1.819 -3.978 488 HA GLU 16 HA GLU 16 6.929 -3.000 -3.732 489 1HB GLU 16 1HB GLU 16 9.334 -2.749 -1.984 490 2HB GLU 16 2HB GLU 16 7.778 -3.038 -1.218 491 1HG GLU 16 1HG GLU 16 9.085 -4.763 -3.310 492 2HG GLU 16 2HG GLU 16 8.945 -5.121 -1.589 493 H ILE 17 H ILE 17 8.559 -0.019 -2.784 494 HA ILE 17 HA ILE 17 6.366 0.868 -1.136 495 HB ILE 17 HB ILE 17 8.581 1.666 -0.610 496 1HG1 ILE 17 1HG1 ILE 17 6.498 3.171 -0.377 497 2HG1 ILE 17 2HG1 ILE 17 8.080 3.924 -0.226 498 1HG2 ILE 17 1HG2 ILE 17 8.587 2.774 -3.408 499 2HG2 ILE 17 2HG2 ILE 17 9.745 3.249 -2.166 500 3HG2 ILE 17 3HG2 ILE 17 9.678 1.575 -2.714 501 1HD1 ILE 17 1HD1 ILE 17 7.269 4.011 -2.958 502 2HD1 ILE 17 2HD1 ILE 17 5.972 4.634 -1.939 503 3HD1 ILE 17 3HD1 ILE 17 7.584 5.341 -1.844 504 H GLU 18 H GLU 18 7.416 1.295 -4.452 505 HA GLU 18 HA GLU 18 5.465 3.330 -5.034 506 1HB GLU 18 1HB GLU 18 7.730 2.154 -6.356 507 2HB GLU 18 2HB GLU 18 6.341 2.123 -7.434 508 1HG GLU 18 1HG GLU 18 7.263 4.592 -5.990 509 2HG GLU 18 2HG GLU 18 7.800 4.147 -7.610 510 H ARG 19 H ARG 19 5.790 -0.152 -5.505 511 HA ARG 19 HA ARG 19 3.370 -0.412 -7.011 512 1HB ARG 19 1HB ARG 19 5.262 -2.028 -7.145 513 2HB ARG 19 2HB ARG 19 4.899 -2.541 -5.503 514 1HG ARG 19 1HG ARG 19 3.294 -3.906 -6.195 515 2HG ARG 19 2HG ARG 19 2.553 -2.647 -7.185 516 1HD ARG 19 1HD ARG 19 5.068 -3.925 -8.137 517 2HD ARG 19 2HD ARG 19 3.561 -4.830 -8.266 518 HE ARG 19 HE ARG 19 4.383 -2.661 -9.900 519 1HH1 ARG 19 1HH1 ARG 19 1.578 -4.095 -8.417 520 2HH1 ARG 19 2HH1 ARG 19 0.477 -3.486 -9.608 521 1HH2 ARG 19 1HH2 ARG 19 2.942 -1.855 -11.475 522 2HH2 ARG 19 2HH2 ARG 19 1.252 -2.214 -11.346 523 H LEU 20 H LEU 20 4.221 -0.406 -3.642 524 HA LEU 20 HA LEU 20 1.799 -1.607 -2.711 525 1HB LEU 20 1HB LEU 20 4.077 -0.146 -1.443 526 2HB LEU 20 2HB LEU 20 2.598 -0.365 -0.532 527 HG LEU 20 HG LEU 20 4.001 -2.704 -1.788 528 1HD1 LEU 20 1HD1 LEU 20 5.181 -1.066 0.110 529 2HD1 LEU 20 2HD1 LEU 20 4.490 -2.391 1.047 530 3HD1 LEU 20 3HD1 LEU 20 5.619 -2.733 -0.264 531 1HD2 LEU 20 1HD2 LEU 20 1.814 -2.262 0.164 532 2HD2 LEU 20 2HD2 LEU 20 1.994 -3.499 -1.080 533 3HD2 LEU 20 3HD2 LEU 20 2.885 -3.638 0.436 534 H GLN 21 H GLN 21 2.960 1.681 -3.218 535 HA GLN 21 HA GLN 21 0.799 3.034 -2.026 536 1HB GLN 21 1HB GLN 21 2.854 4.200 -2.546 537 2HB GLN 21 2HB GLN 21 2.656 3.868 -4.261 538 1HG GLN 21 1HG GLN 21 0.991 5.437 -4.513 539 2HG GLN 21 2HG GLN 21 0.552 5.398 -2.806 540 2HE2 GLN 21 2HE2 GLN 21 2.895 6.551 -5.134 541 1HE2 GLN 21 1HE2 GLN 21 3.540 7.815 -4.148 542 H LYS 22 H LYS 22 1.364 1.977 -5.371 543 HA LYS 22 HA LYS 22 -1.002 3.065 -6.452 544 1HB LYS 22 1HB LYS 22 1.181 1.802 -7.486 545 2HB LYS 22 2HB LYS 22 -0.043 0.550 -7.651 546 1HG LYS 22 1HG LYS 22 -1.262 2.895 -8.550 547 2HG LYS 22 2HG LYS 22 0.373 2.922 -9.218 548 1HD LYS 22 1HD LYS 22 -1.343 0.465 -9.377 549 2HD LYS 22 2HD LYS 22 -1.472 1.755 -10.575 550 1HE LYS 22 1HE LYS 22 1.181 0.542 -9.883 551 2HE LYS 22 2HE LYS 22 0.108 -0.228 -11.051 552 1HZ LYS 22 1HZ LYS 22 0.133 2.319 -11.903 553 2HZ LYS 22 2HZ LYS 22 1.711 2.157 -11.315 554 3HZ LYS 22 3HZ LYS 22 1.138 1.100 -12.505 555 H GLU 23 H GLU 23 -0.293 -0.008 -4.895 556 HA GLU 23 HA GLU 23 -2.712 -1.313 -5.513 557 1HB GLU 23 1HB GLU 23 -0.368 -1.878 -4.026 558 2HB GLU 23 2HB GLU 23 -1.733 -2.148 -2.951 559 1HG GLU 23 1HG GLU 23 -1.732 -4.188 -3.867 560 2HG GLU 23 2HG GLU 23 -2.617 -3.394 -5.169 561 H ILE 24 H ILE 24 -1.780 0.816 -2.850 562 HA ILE 24 HA ILE 24 -4.113 0.412 -1.308 563 HB ILE 24 HB ILE 24 -3.356 2.012 0.135 564 1HG1 ILE 24 1HG1 ILE 24 -1.808 3.956 -0.753 565 2HG1 ILE 24 2HG1 ILE 24 -2.583 3.586 -2.291 566 1HG2 ILE 24 1HG2 ILE 24 -1.437 0.422 -0.822 567 2HG2 ILE 24 2HG2 ILE 24 -0.709 1.991 -1.159 568 3HG2 ILE 24 3HG2 ILE 24 -1.177 1.573 0.486 569 1HD1 ILE 24 1HD1 ILE 24 -4.611 3.744 -0.327 570 2HD1 ILE 24 2HD1 ILE 24 -3.559 5.149 -0.140 571 3HD1 ILE 24 3HD1 ILE 24 -4.317 4.816 -1.697 572 H GLU 25 H GLU 25 -3.299 2.675 -3.878 573 HA GLU 25 HA GLU 25 -5.539 4.339 -3.727 574 1HB GLU 25 1HB GLU 25 -3.397 4.526 -5.184 575 2HB GLU 25 2HB GLU 25 -4.296 3.565 -6.350 576 1HG GLU 25 1HG GLU 25 -4.689 5.737 -7.033 577 2HG GLU 25 2HG GLU 25 -6.129 5.345 -6.094 578 H ARG 26 H ARG 26 -5.036 1.304 -5.491 579 HA ARG 26 HA ARG 26 -7.460 1.211 -6.863 580 1HB ARG 26 1HB ARG 26 -5.277 -0.499 -6.480 581 2HB ARG 26 2HB ARG 26 -6.670 -1.411 -5.913 582 1HG ARG 26 1HG ARG 26 -6.982 -0.019 -8.495 583 2HG ARG 26 2HG ARG 26 -5.865 -1.384 -8.462 584 1HD ARG 26 1HD ARG 26 -8.252 -2.069 -7.042 585 2HD ARG 26 2HD ARG 26 -8.679 -1.441 -8.633 586 HE ARG 26 HE ARG 26 -6.662 -3.217 -9.116 587 1HH1 ARG 26 1HH1 ARG 26 -9.759 -3.376 -7.532 588 2HH1 ARG 26 2HH1 ARG 26 -10.020 -5.043 -7.925 589 1HH2 ARG 26 1HH2 ARG 26 -6.996 -5.411 -9.641 590 2HH2 ARG 26 2HH2 ARG 26 -8.449 -6.200 -9.124 591 H HIS 27 H HIS 27 -6.631 -0.108 -3.664 592 HA HIS 27 HA HIS 27 -9.196 -1.107 -3.069 593 1HB HIS 27 1HB HIS 27 -6.687 -0.645 -1.624 594 2HB HIS 27 2HB HIS 27 -8.119 -0.480 -0.613 595 HD1 HIS 27 HD1 HIS 27 -9.712 -2.627 -0.521 596 HD2 HIS 27 HD2 HIS 27 -5.955 -3.222 -2.193 597 HE1 HIS 27 HE1 HIS 27 -9.369 -5.118 -0.533 598 HE2 HIS 27 HE2 HIS 27 -7.089 -5.456 -1.550 599 H LYS 28 H LYS 28 -7.854 2.078 -2.989 600 HA LYS 28 HA LYS 28 -9.824 3.192 -1.226 601 1HB LYS 28 1HB LYS 28 -7.475 4.092 -1.618 602 2HB LYS 28 2HB LYS 28 -8.072 4.710 -3.152 603 1HG LYS 28 1HG LYS 28 -9.937 5.657 -1.402 604 2HG LYS 28 2HG LYS 28 -8.459 5.718 -0.440 605 1HD LYS 28 1HD LYS 28 -8.455 7.784 -1.487 606 2HD LYS 28 2HD LYS 28 -7.432 6.820 -2.553 607 1HE LYS 28 1HE LYS 28 -9.379 6.408 -4.005 608 2HE LYS 28 2HE LYS 28 -10.357 7.433 -2.956 609 1HZ LYS 28 1HZ LYS 28 -8.463 9.140 -3.465 610 2HZ LYS 28 2HZ LYS 28 -8.244 8.185 -4.842 611 3HZ LYS 28 3HZ LYS 28 -9.740 8.920 -4.552 612 H GLN 29 H GLN 29 -9.541 2.596 -4.623 613 HA GLN 29 HA GLN 29 -11.582 4.443 -5.429 614 1HB GLN 29 1HB GLN 29 -9.637 3.373 -6.824 615 2HB GLN 29 2HB GLN 29 -10.787 2.065 -7.068 616 1HG GLN 29 1HG GLN 29 -11.551 3.223 -8.795 617 2HG GLN 29 2HG GLN 29 -12.258 4.332 -7.620 618 2HE2 GLN 29 2HE2 GLN 29 -11.834 6.365 -8.041 619 1HE2 GLN 29 1HE2 GLN 29 -10.389 6.986 -8.755 620 H SER 30 H SER 30 -11.433 1.028 -4.605 621 HA SER 30 HA SER 30 -14.109 0.448 -5.423 622 1HB SER 30 1HB SER 30 -12.641 -1.170 -3.363 623 2HB SER 30 2HB SER 30 -13.733 -1.716 -4.636 624 HG SER 30 HG SER 30 -11.644 -2.211 -5.243 625 H ILE 31 H ILE 31 -12.554 1.263 -2.362 626 HA ILE 31 HA ILE 31 -14.900 0.947 -0.773 627 HB ILE 31 HB ILE 31 -12.700 0.808 0.243 628 1HG1 ILE 31 1HG1 ILE 31 -13.035 2.555 2.089 629 2HG1 ILE 31 2HG1 ILE 31 -14.454 3.073 1.182 630 1HG2 ILE 31 1HG2 ILE 31 -11.634 2.505 -1.257 631 2HG2 ILE 31 2HG2 ILE 31 -12.392 3.759 -0.279 632 3HG2 ILE 31 3HG2 ILE 31 -11.213 2.667 0.446 633 1HD1 ILE 31 1HD1 ILE 31 -14.932 0.438 1.329 634 2HD1 ILE 31 2HD1 ILE 31 -14.016 0.673 2.816 635 3HD1 ILE 31 3HD1 ILE 31 -15.485 1.604 2.529 636 H LYS 32 H LYS 32 -13.574 3.539 -2.678 637 HA LYS 32 HA LYS 32 -15.186 5.592 -1.466 638 1HB LYS 32 1HB LYS 32 -12.989 6.070 -2.512 639 2HB LYS 32 2HB LYS 32 -13.662 5.636 -4.077 640 1HG LYS 32 1HG LYS 32 -14.240 7.756 -4.336 641 2HG LYS 32 2HG LYS 32 -15.409 7.544 -3.030 642 1HD LYS 32 1HD LYS 32 -12.530 8.174 -2.463 643 2HD LYS 32 2HD LYS 32 -13.694 9.450 -2.830 644 1HE LYS 32 1HE LYS 32 -14.704 7.581 -0.856 645 2HE LYS 32 2HE LYS 32 -13.193 8.331 -0.344 646 1HZ LYS 32 1HZ LYS 32 -14.190 10.504 -0.794 647 2HZ LYS 32 2HZ LYS 32 -15.649 9.757 -1.215 648 3HZ LYS 32 3HZ LYS 32 -15.067 9.645 0.369 649 H LYS 33 H LYS 33 -15.373 3.531 -4.309 650 HA LYS 33 HA LYS 33 -17.680 4.865 -5.386 651 1HB LYS 33 1HB LYS 33 -16.065 3.677 -6.828 652 2HB LYS 33 2HB LYS 33 -16.515 2.158 -6.066 653 1HG LYS 33 1HG LYS 33 -18.924 2.846 -6.847 654 2HG LYS 33 2HG LYS 33 -18.027 3.830 -8.005 655 1HD LYS 33 1HD LYS 33 -17.333 0.943 -7.627 656 2HD LYS 33 2HD LYS 33 -18.708 1.400 -8.635 657 1HE LYS 33 1HE LYS 33 -17.387 2.408 -10.218 658 2HE LYS 33 2HE LYS 33 -16.101 2.769 -9.069 659 1HZ LYS 33 1HZ LYS 33 -16.682 -0.033 -9.730 660 2HZ LYS 33 2HZ LYS 33 -15.796 0.901 -10.827 661 3HZ LYS 33 3HZ LYS 33 -15.223 0.677 -9.251 662 H LEU 34 H LEU 34 -17.075 2.269 -3.173 663 HA LEU 34 HA LEU 34 -19.741 1.187 -3.313 664 1HB LEU 34 1HB LEU 34 -17.228 0.498 -2.042 665 2HB LEU 34 2HB LEU 34 -18.572 0.331 -0.929 666 HG LEU 34 HG LEU 34 -19.057 -0.859 -3.568 667 1HD1 LEU 34 1HD1 LEU 34 -16.513 -1.233 -2.625 668 2HD1 LEU 34 2HD1 LEU 34 -17.377 -2.620 -1.963 669 3HD1 LEU 34 3HD1 LEU 34 -17.381 -2.326 -3.702 670 1HD2 LEU 34 1HD2 LEU 34 -19.367 -1.713 -0.700 671 2HD2 LEU 34 2HD2 LEU 34 -20.630 -1.229 -1.831 672 3HD2 LEU 34 3HD2 LEU 34 -19.769 -2.749 -2.068 673 H LYS 35 H LYS 35 -17.982 3.473 -1.325 674 HA LYS 35 HA LYS 35 -20.000 3.669 0.698 675 1HB LYS 35 1HB LYS 35 -17.357 4.680 0.269 676 2HB LYS 35 2HB LYS 35 -18.421 6.025 0.656 677 1HG LYS 35 1HG LYS 35 -18.789 3.698 2.381 678 2HG LYS 35 2HG LYS 35 -17.180 4.417 2.471 679 1HD LYS 35 1HD LYS 35 -19.759 5.954 2.757 680 2HD LYS 35 2HD LYS 35 -18.792 5.364 4.110 681 1HE LYS 35 1HE LYS 35 -16.937 6.688 2.591 682 2HE LYS 35 2HE LYS 35 -18.381 7.675 2.365 683 1HZ LYS 35 1HZ LYS 35 -18.257 7.076 5.062 684 2HZ LYS 35 2HZ LYS 35 -16.682 7.502 4.619 685 3HZ LYS 35 3HZ LYS 35 -17.961 8.572 4.331 686 H GLN 36 H GLN 36 -19.245 5.359 -2.281 687 HA GLN 36 HA GLN 36 -21.137 7.474 -1.833 688 1HB GLN 36 1HB GLN 36 -19.153 7.820 -3.237 689 2HB GLN 36 2HB GLN 36 -19.732 6.602 -4.366 690 1HG GLN 36 1HG GLN 36 -21.789 8.523 -4.008 691 2HG GLN 36 2HG GLN 36 -20.278 9.378 -4.321 692 2HE2 GLN 36 2HE2 GLN 36 -22.374 6.811 -5.525 693 1HE2 GLN 36 1HE2 GLN 36 -21.945 6.992 -7.189 694 H SER 37 H SER 37 -21.139 4.353 -3.407 695 HA SER 37 HA SER 37 -23.642 4.744 -4.753 696 1HB SER 37 1HB SER 37 -23.476 2.405 -5.359 697 2HB SER 37 2HB SER 37 -21.887 3.147 -5.543 698 HG SER 37 HG SER 37 -22.027 1.043 -4.402 699 H GLU 38 H GLU 38 -22.621 3.617 -1.631 700 HA GLU 38 HA GLU 38 -25.069 2.296 -0.959 701 1HB GLU 38 1HB GLU 38 -22.540 2.353 0.117 702 2HB GLU 38 2HB GLU 38 -23.460 3.301 1.277 703 1HG GLU 38 1HG GLU 38 -24.779 0.826 0.463 704 2HG GLU 38 2HG GLU 38 -23.231 0.585 1.272 705 H ASP 39 H ASP 39 -23.897 5.554 -0.831 706 HA ASP 39 HA ASP 39 -25.752 6.536 1.093 707 1HB ASP 39 1HB ASP 39 -23.539 7.603 0.258 708 2HB ASP 39 2HB ASP 39 -24.520 8.235 -1.061 709 H ASP 40 H ASP 40 -25.867 5.955 -2.333 710 HA ASP 40 HA ASP 40 -28.486 7.279 -2.497 711 1HB ASP 40 1HB ASP 40 -26.375 7.575 -4.165 712 2HB ASP 40 2HB ASP 40 -27.220 6.255 -4.968 713 H ASP 41 H ASP 41 -29.437 5.919 -4.757 714 HA ASP 41 HA ASP 41 -29.492 3.090 -4.148 715 1HB ASP 41 1HB ASP 41 -31.719 4.932 -3.461 716 2HB ASP 41 2HB ASP 41 -32.160 3.399 -4.207 No H/Q in entry = 716 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -25.287 -15.529 0.066 2 H2 ALA 1 H2 ALA 1 -24.542 -16.100 1.504 3 H3 ALA 1 H3 ALA 1 -25.048 -17.211 0.297 4 HA ALA 1 HA ALA 1 -27.155 -17.146 0.887 5 1HB ALA 1 1HB ALA 1 -26.713 -16.051 3.518 6 2HB ALA 1 2HB ALA 1 -27.055 -17.711 3.034 7 3HB ALA 1 3HB ALA 1 -25.393 -17.120 3.044 8 H LEU 2 H LEU 2 -26.114 -14.303 2.755 9 HA LEU 2 HA LEU 2 -28.423 -12.851 1.654 10 1HB LEU 2 1HB LEU 2 -26.864 -12.348 4.190 11 2HB LEU 2 2HB LEU 2 -28.239 -11.409 3.641 12 HG LEU 2 HG LEU 2 -28.786 -14.281 3.880 13 1HD1 LEU 2 1HD1 LEU 2 -27.212 -13.950 5.760 14 2HD1 LEU 2 2HD1 LEU 2 -28.266 -12.678 6.378 15 3HD1 LEU 2 3HD1 LEU 2 -28.851 -14.339 6.284 16 1HD2 LEU 2 1HD2 LEU 2 -30.108 -11.735 4.796 17 2HD2 LEU 2 2HD2 LEU 2 -30.574 -12.772 3.448 18 3HD2 LEU 2 3HD2 LEU 2 -30.762 -13.344 5.105 19 H LYS 3 H LYS 3 -28.015 -10.358 1.758 20 HA LYS 3 HA LYS 3 -25.591 -9.882 0.190 21 1HB LYS 3 1HB LYS 3 -28.277 -8.652 0.341 22 2HB LYS 3 2HB LYS 3 -26.946 -7.544 0.043 23 1HG LYS 3 1HG LYS 3 -27.999 -8.347 -2.024 24 2HG LYS 3 2HG LYS 3 -26.292 -8.785 -1.918 25 1HD LYS 3 1HD LYS 3 -27.252 -10.990 -0.863 26 2HD LYS 3 2HD LYS 3 -28.716 -10.513 -1.726 27 1HE LYS 3 1HE LYS 3 -27.849 -11.454 -3.544 28 2HE LYS 3 2HE LYS 3 -26.651 -10.161 -3.562 29 1HZ LYS 3 1HZ LYS 3 -25.830 -12.075 -1.702 30 2HZ LYS 3 2HZ LYS 3 -26.249 -12.898 -3.118 31 3HZ LYS 3 3HZ LYS 3 -25.094 -11.663 -3.168 32 H LYS 4 H LYS 4 -25.680 -10.125 3.171 33 HA LYS 4 HA LYS 4 -25.093 -7.449 4.114 34 1HB LYS 4 1HB LYS 4 -24.759 -8.500 6.287 35 2HB LYS 4 2HB LYS 4 -26.271 -9.041 5.571 36 1HG LYS 4 1HG LYS 4 -25.474 -11.034 6.305 37 2HG LYS 4 2HG LYS 4 -24.739 -11.011 4.701 38 1HD LYS 4 1HD LYS 4 -22.848 -9.708 6.114 39 2HD LYS 4 2HD LYS 4 -23.495 -10.770 7.365 40 1HE LYS 4 1HE LYS 4 -23.227 -12.653 5.668 41 2HE LYS 4 2HE LYS 4 -22.251 -11.519 4.734 42 1HZ LYS 4 1HZ LYS 4 -20.992 -11.247 6.964 43 2HZ LYS 4 2HZ LYS 4 -21.679 -12.744 7.345 44 3HZ LYS 4 3HZ LYS 4 -20.678 -12.595 5.991 45 H HIS 5 H HIS 5 -23.374 -10.302 3.086 46 HA HIS 5 HA HIS 5 -20.863 -9.842 4.181 47 1HB HIS 5 1HB HIS 5 -20.001 -11.109 2.178 48 2HB HIS 5 2HB HIS 5 -21.287 -11.915 3.070 49 HD1 HIS 5 HD1 HIS 5 -22.767 -13.070 1.473 50 HD2 HIS 5 HD2 HIS 5 -21.469 -9.410 -0.007 51 HE1 HIS 5 HE1 HIS 5 -23.888 -12.813 -0.763 52 HE2 HIS 5 HE2 HIS 5 -23.090 -10.590 -1.641 53 H HIS 6 H HIS 6 -22.516 -8.158 1.659 54 HA HIS 6 HA HIS 6 -20.288 -7.039 0.331 55 1HB HIS 6 1HB HIS 6 -23.106 -6.883 0.128 56 2HB HIS 6 2HB HIS 6 -22.523 -5.232 0.311 57 HD1 HIS 6 HD1 HIS 6 -20.674 -7.941 -1.558 58 HD2 HIS 6 HD2 HIS 6 -22.809 -4.456 -2.312 59 HE1 HIS 6 HE1 HIS 6 -20.332 -7.459 -4.002 60 HE2 HIS 6 HE2 HIS 6 -21.633 -5.345 -4.438 61 H GLU 7 H GLU 7 -22.470 -5.572 2.750 62 HA GLU 7 HA GLU 7 -21.113 -3.195 3.115 63 1HB GLU 7 1HB GLU 7 -22.390 -4.665 5.409 64 2HB GLU 7 2HB GLU 7 -22.316 -2.930 5.127 65 1HG GLU 7 1HG GLU 7 -23.744 -3.411 3.051 66 2HG GLU 7 2HG GLU 7 -24.052 -4.976 3.803 67 H ASN 8 H ASN 8 -20.273 -6.380 4.168 68 HA ASN 8 HA ASN 8 -18.445 -5.615 6.218 69 1HB ASN 8 1HB ASN 8 -18.900 -8.156 4.667 70 2HB ASN 8 2HB ASN 8 -17.550 -8.003 5.790 71 2HD2 ASN 8 2HD2 ASN 8 -18.202 -9.396 7.329 72 1HD2 ASN 8 1HD2 ASN 8 -19.637 -9.207 8.271 73 H GLU 9 H GLU 9 -17.910 -6.890 2.926 74 HA GLU 9 HA GLU 9 -15.156 -6.450 2.847 75 1HB GLU 9 1HB GLU 9 -17.052 -7.452 1.106 76 2HB GLU 9 2HB GLU 9 -16.499 -5.999 0.286 77 1HG GLU 9 1HG GLU 9 -15.108 -7.667 -0.526 78 2HG GLU 9 2HG GLU 9 -14.137 -6.874 0.714 79 H ILE 10 H ILE 10 -17.782 -4.236 2.688 80 HA ILE 10 HA ILE 10 -16.467 -2.136 1.308 81 HB ILE 10 HB ILE 10 -19.059 -2.644 2.251 82 1HG1 ILE 10 1HG1 ILE 10 -18.697 0.026 1.150 83 2HG1 ILE 10 2HG1 ILE 10 -17.812 -1.207 0.255 84 1HG2 ILE 10 1HG2 ILE 10 -18.040 -0.097 3.495 85 2HG2 ILE 10 2HG2 ILE 10 -19.740 -0.534 3.324 86 3HG2 ILE 10 3HG2 ILE 10 -18.677 -1.507 4.340 87 1HD1 ILE 10 1HD1 ILE 10 -20.334 -2.300 0.725 88 2HD1 ILE 10 2HD1 ILE 10 -20.618 -0.621 0.266 89 3HD1 ILE 10 3HD1 ILE 10 -19.696 -1.682 -0.798 90 H SER 11 H SER 11 -17.163 -2.652 4.769 91 HA SER 11 HA SER 11 -15.691 -0.420 5.674 92 1HB SER 11 1HB SER 11 -17.285 -2.441 6.835 93 2HB SER 11 2HB SER 11 -15.719 -2.521 7.643 94 HG SER 11 HG SER 11 -17.612 -0.471 7.609 95 H HIS 12 H HIS 12 -14.760 -3.611 4.710 96 HA HIS 12 HA HIS 12 -12.230 -3.589 6.045 97 1HB HIS 12 1HB HIS 12 -12.639 -5.776 5.675 98 2HB HIS 12 2HB HIS 12 -13.776 -5.431 4.382 99 HD1 HIS 12 HD1 HIS 12 -10.183 -6.274 5.012 100 HD2 HIS 12 HD2 HIS 12 -12.733 -5.591 1.808 101 HE1 HIS 12 HE1 HIS 12 -8.918 -7.039 2.976 102 HE2 HIS 12 HE2 HIS 12 -10.481 -6.616 1.043 103 H HIS 13 H HIS 13 -13.403 -2.728 2.824 104 HA HIS 13 HA HIS 13 -10.845 -2.353 1.660 105 1HB HIS 13 1HB HIS 13 -13.421 -0.951 0.915 106 2HB HIS 13 2HB HIS 13 -11.983 -1.106 -0.084 107 HD1 HIS 13 HD1 HIS 13 -11.604 -4.221 0.555 108 HD2 HIS 13 HD2 HIS 13 -15.039 -2.340 -0.821 109 HE1 HIS 13 HE1 HIS 13 -12.923 -6.012 -0.621 110 HE2 HIS 13 HE2 HIS 13 -15.005 -4.853 -1.441 111 H ALA 14 H ALA 14 -12.950 -0.374 3.623 112 HA ALA 14 HA ALA 14 -11.691 2.117 3.188 113 1HB ALA 14 1HB ALA 14 -12.821 1.669 5.864 114 2HB ALA 14 2HB ALA 14 -13.915 1.319 4.525 115 3HB ALA 14 3HB ALA 14 -13.183 2.918 4.672 116 H LYS 15 H LYS 15 -11.392 -0.168 5.911 117 HA LYS 15 HA LYS 15 -9.213 1.137 7.124 118 1HB LYS 15 1HB LYS 15 -10.490 -1.538 7.348 119 2HB LYS 15 2HB LYS 15 -8.859 -1.376 7.982 120 1HG LYS 15 1HG LYS 15 -11.292 0.185 8.808 121 2HG LYS 15 2HG LYS 15 -10.408 -1.008 9.760 122 1HD LYS 15 1HD LYS 15 -8.408 0.692 9.198 123 2HD LYS 15 2HD LYS 15 -9.766 1.819 9.178 124 1HE LYS 15 1HE LYS 15 -9.223 1.907 11.395 125 2HE LYS 15 2HE LYS 15 -10.378 0.575 11.424 126 1HZ LYS 15 1HZ LYS 15 -8.036 -0.671 10.914 127 2HZ LYS 15 2HZ LYS 15 -7.553 0.564 11.964 128 3HZ LYS 15 3HZ LYS 15 -8.750 -0.533 12.441 129 H GLU 16 H GLU 16 -9.427 -0.784 4.303 130 HA GLU 16 HA GLU 16 -6.708 -1.719 4.340 131 1HB GLU 16 1HB GLU 16 -8.607 -2.917 3.203 132 2HB GLU 16 2HB GLU 16 -8.617 -1.633 2.001 133 1HG GLU 16 1HG GLU 16 -6.635 -2.300 1.067 134 2HG GLU 16 2HG GLU 16 -6.070 -3.069 2.550 135 H ILE 17 H ILE 17 -8.488 0.981 2.934 136 HA ILE 17 HA ILE 17 -6.343 1.830 1.245 137 HB ILE 17 HB ILE 17 -7.657 3.657 0.647 138 1HG1 ILE 17 1HG1 ILE 17 -9.813 4.034 2.269 139 2HG1 ILE 17 2HG1 ILE 17 -8.596 3.568 3.450 140 1HG2 ILE 17 1HG2 ILE 17 -8.809 1.143 0.781 141 2HG2 ILE 17 2HG2 ILE 17 -10.073 2.235 1.347 142 3HG2 ILE 17 3HG2 ILE 17 -9.327 2.491 -0.228 143 1HD1 ILE 17 1HD1 ILE 17 -7.468 5.478 1.665 144 2HD1 ILE 17 2HD1 ILE 17 -9.007 6.085 2.277 145 3HD1 ILE 17 3HD1 ILE 17 -7.741 5.600 3.404 146 H GLU 18 H GLU 18 -7.357 2.536 4.529 147 HA GLU 18 HA GLU 18 -5.530 4.719 4.885 148 1HB GLU 18 1HB GLU 18 -7.731 4.026 6.211 149 2HB GLU 18 2HB GLU 18 -6.567 3.172 7.215 150 1HG GLU 18 1HG GLU 18 -6.385 5.087 8.328 151 2HG GLU 18 2HG GLU 18 -5.414 5.637 6.963 152 H ARG 19 H ARG 19 -5.567 1.290 5.775 153 HA ARG 19 HA ARG 19 -3.048 1.352 7.096 154 1HB ARG 19 1HB ARG 19 -4.945 -0.398 7.291 155 2HB ARG 19 2HB ARG 19 -4.239 -1.111 5.847 156 1HG ARG 19 1HG ARG 19 -3.059 -2.306 7.334 157 2HG ARG 19 2HG ARG 19 -2.039 -0.867 7.380 158 1HD ARG 19 1HD ARG 19 -4.395 -1.168 9.211 159 2HD ARG 19 2HD ARG 19 -2.833 -1.881 9.609 160 HE ARG 19 HE ARG 19 -3.554 0.851 9.833 161 1HH1 ARG 19 1HH1 ARG 19 -0.894 -1.239 9.008 162 2HH1 ARG 19 2HH1 ARG 19 0.320 -0.091 9.465 163 1HH2 ARG 19 1HH2 ARG 19 -1.964 2.371 10.439 164 2HH2 ARG 19 2HH2 ARG 19 -0.288 1.961 10.279 165 H LEU 20 H LEU 20 -4.046 1.108 3.796 166 HA LEU 20 HA LEU 20 -1.664 -0.081 2.784 167 1HB LEU 20 1HB LEU 20 -4.110 1.122 1.684 168 2HB LEU 20 2HB LEU 20 -2.689 1.350 0.687 169 HG LEU 20 HG LEU 20 -4.149 -0.683 0.195 170 1HD1 LEU 20 1HD1 LEU 20 -1.766 -0.268 -0.556 171 2HD1 LEU 20 2HD1 LEU 20 -1.270 -1.329 0.763 172 3HD1 LEU 20 3HD1 LEU 20 -2.300 -1.948 -0.528 173 1HD2 LEU 20 1HD2 LEU 20 -3.667 -1.166 2.922 174 2HD2 LEU 20 2HD2 LEU 20 -4.509 -2.202 1.770 175 3HD2 LEU 20 3HD2 LEU 20 -2.776 -2.398 2.029 176 H GLN 21 H GLN 21 -2.847 3.242 3.131 177 HA GLN 21 HA GLN 21 -0.706 4.542 1.869 178 1HB GLN 21 1HB GLN 21 -3.037 5.357 3.003 179 2HB GLN 21 2HB GLN 21 -1.883 5.903 4.211 180 1HG GLN 21 1HG GLN 21 -0.914 6.607 1.626 181 2HG GLN 21 2HG GLN 21 -2.587 7.137 1.780 182 2HE2 GLN 21 2HE2 GLN 21 -3.122 8.416 3.693 183 1HE2 GLN 21 1HE2 GLN 21 -1.930 9.488 4.336 184 H LYS 22 H LYS 22 -1.229 3.798 5.313 185 HA LYS 22 HA LYS 22 1.234 4.833 6.214 186 1HB LYS 22 1HB LYS 22 -0.953 3.234 7.319 187 2HB LYS 22 2HB LYS 22 0.614 2.825 8.003 188 1HG LYS 22 1HG LYS 22 -0.372 4.483 9.386 189 2HG LYS 22 2HG LYS 22 0.948 5.247 8.499 190 1HD LYS 22 1HD LYS 22 -1.659 5.375 7.158 191 2HD LYS 22 2HD LYS 22 -1.581 6.243 8.693 192 1HE LYS 22 1HE LYS 22 0.762 6.692 7.028 193 2HE LYS 22 2HE LYS 22 -0.736 7.183 6.237 194 1HZ LYS 22 1HZ LYS 22 -0.060 8.013 8.997 195 2HZ LYS 22 2HZ LYS 22 0.412 8.910 7.644 196 3HZ LYS 22 3HZ LYS 22 -1.231 8.668 7.967 197 H GLU 23 H GLU 23 0.362 1.854 4.687 198 HA GLU 23 HA GLU 23 2.676 0.378 5.491 199 1HB GLU 23 1HB GLU 23 0.688 -0.826 4.856 200 2HB GLU 23 2HB GLU 23 0.668 -0.055 3.276 201 1HG GLU 23 1HG GLU 23 1.489 -2.422 3.326 202 2HG GLU 23 2HG GLU 23 2.566 -1.257 2.557 203 H ILE 24 H ILE 24 1.869 2.514 2.841 204 HA ILE 24 HA ILE 24 4.081 1.800 1.196 205 HB ILE 24 HB ILE 24 3.361 3.346 -0.312 206 1HG1 ILE 24 1HG1 ILE 24 2.125 5.512 0.434 207 2HG1 ILE 24 2HG1 ILE 24 2.810 5.166 2.018 208 1HG2 ILE 24 1HG2 ILE 24 1.391 1.983 0.625 209 2HG2 ILE 24 2HG2 ILE 24 0.851 3.519 1.299 210 3HG2 ILE 24 3HG2 ILE 24 1.052 3.344 -0.441 211 1HD1 ILE 24 1HD1 ILE 24 4.876 4.937 0.084 212 2HD1 ILE 24 2HD1 ILE 24 4.021 6.458 -0.177 213 3HD1 ILE 24 3HD1 ILE 24 4.715 6.097 1.403 214 H GLU 25 H GLU 25 3.511 4.316 3.609 215 HA GLU 25 HA GLU 25 5.962 5.671 3.305 216 1HB GLU 25 1HB GLU 25 3.914 6.479 4.557 217 2HB GLU 25 2HB GLU 25 4.390 5.412 5.870 218 1HG GLU 25 1HG GLU 25 5.582 7.095 6.669 219 2HG GLU 25 2HG GLU 25 6.683 6.858 5.312 220 H ARG 26 H ARG 26 4.970 3.000 5.407 221 HA ARG 26 HA ARG 26 7.328 2.761 6.889 222 1HB ARG 26 1HB ARG 26 4.988 1.075 6.311 223 2HB ARG 26 2HB ARG 26 6.450 0.172 6.690 224 1HG ARG 26 1HG ARG 26 6.670 1.450 8.781 225 2HG ARG 26 2HG ARG 26 5.160 2.284 8.406 226 1HD ARG 26 1HD ARG 26 3.917 0.557 9.089 227 2HD ARG 26 2HD ARG 26 4.926 -0.612 8.238 228 HE ARG 26 HE ARG 26 6.434 0.075 10.380 229 1HH1 ARG 26 1HH1 ARG 26 3.157 -1.044 10.007 230 2HH1 ARG 26 2HH1 ARG 26 3.120 -1.850 11.540 231 1HH2 ARG 26 1HH2 ARG 26 6.396 -0.982 12.402 232 2HH2 ARG 26 2HH2 ARG 26 4.962 -1.814 12.902 233 H HIS 27 H HIS 27 6.424 1.511 3.727 234 HA HIS 27 HA HIS 27 8.699 -0.157 3.389 235 1HB HIS 27 1HB HIS 27 6.409 0.691 1.802 236 2HB HIS 27 2HB HIS 27 7.879 0.602 0.837 237 HD1 HIS 27 HD1 HIS 27 9.247 -1.830 1.420 238 HD2 HIS 27 HD2 HIS 27 5.111 -1.667 1.791 239 HE1 HIS 27 HE1 HIS 27 8.467 -4.218 1.305 240 HE2 HIS 27 HE2 HIS 27 5.961 -4.096 1.531 241 H LYS 28 H LYS 28 8.061 3.226 2.925 242 HA LYS 28 HA LYS 28 10.321 3.780 1.272 243 1HB LYS 28 1HB LYS 28 8.287 5.226 1.426 244 2HB LYS 28 2HB LYS 28 8.790 5.688 3.046 245 1HG LYS 28 1HG LYS 28 11.014 6.352 1.817 246 2HG LYS 28 2HG LYS 28 9.949 6.436 0.412 247 1HD LYS 28 1HD LYS 28 9.514 8.525 1.094 248 2HD LYS 28 2HD LYS 28 8.503 7.762 2.323 249 1HE LYS 28 1HE LYS 28 10.009 8.136 3.992 250 2HE LYS 28 2HE LYS 28 11.397 8.033 2.909 251 1HZ LYS 28 1HZ LYS 28 10.486 10.234 1.977 252 2HZ LYS 28 2HZ LYS 28 9.627 10.330 3.432 253 3HZ LYS 28 3HZ LYS 28 11.317 10.261 3.449 254 H GLN 29 H GLN 29 9.775 3.520 4.696 255 HA GLN 29 HA GLN 29 12.210 4.840 5.459 256 1HB GLN 29 1HB GLN 29 9.984 4.426 6.817 257 2HB GLN 29 2HB GLN 29 10.792 2.930 7.269 258 1HG GLN 29 1HG GLN 29 11.747 4.077 8.905 259 2HG GLN 29 2HG GLN 29 12.724 4.861 7.664 260 2HE2 GLN 29 2HE2 GLN 29 12.089 6.908 6.890 261 1HE2 GLN 29 1HE2 GLN 29 11.060 7.936 7.821 262 H SER 30 H SER 30 11.174 1.529 4.897 263 HA SER 30 HA SER 30 13.575 0.344 5.915 264 1HB SER 30 1HB SER 30 11.110 -0.609 4.571 265 2HB SER 30 2HB SER 30 12.548 -1.609 4.358 266 HG SER 30 HG SER 30 12.707 -1.800 6.584 267 H ILE 31 H ILE 31 12.452 1.447 2.789 268 HA ILE 31 HA ILE 31 14.590 0.236 1.307 269 HB ILE 31 HB ILE 31 12.430 0.744 0.257 270 1HG1 ILE 31 1HG1 ILE 31 14.983 1.089 -0.803 271 2HG1 ILE 31 2HG1 ILE 31 13.504 0.828 -1.708 272 1HG2 ILE 31 1HG2 ILE 31 12.001 2.832 1.506 273 2HG2 ILE 31 2HG2 ILE 31 13.199 3.647 0.502 274 3HG2 ILE 31 3HG2 ILE 31 11.734 2.992 -0.228 275 1HD1 ILE 31 1HD1 ILE 31 13.264 3.377 -1.689 276 2HD1 ILE 31 2HD1 ILE 31 14.952 3.395 -1.181 277 3HD1 ILE 31 3HD1 ILE 31 14.503 2.666 -2.722 278 H LYS 32 H LYS 32 14.021 3.309 2.873 279 HA LYS 32 HA LYS 32 16.262 4.632 1.659 280 1HB LYS 32 1HB LYS 32 14.128 5.685 2.693 281 2HB LYS 32 2HB LYS 32 14.965 5.497 4.228 282 1HG LYS 32 1HG LYS 32 16.878 6.701 2.724 283 2HG LYS 32 2HG LYS 32 15.407 7.413 2.060 284 1HD LYS 32 1HD LYS 32 16.201 8.793 3.868 285 2HD LYS 32 2HD LYS 32 14.707 7.997 4.367 286 1HE LYS 32 1HE LYS 32 16.571 6.199 5.187 287 2HE LYS 32 2HE LYS 32 17.441 7.718 5.404 288 1HZ LYS 32 1HZ LYS 32 14.713 7.263 6.468 289 2HZ LYS 32 2HZ LYS 32 16.111 6.938 7.361 290 3HZ LYS 32 3HZ LYS 32 15.780 8.517 6.853 291 H LYS 33 H LYS 33 15.649 2.882 4.647 292 HA LYS 33 HA LYS 33 18.175 3.533 5.832 293 1HB LYS 33 1HB LYS 33 15.784 2.361 6.700 294 2HB LYS 33 2HB LYS 33 16.991 1.092 6.848 295 1HG LYS 33 1HG LYS 33 18.396 2.955 8.013 296 2HG LYS 33 2HG LYS 33 16.821 3.717 8.246 297 1HD LYS 33 1HD LYS 33 17.442 0.880 9.049 298 2HD LYS 33 2HD LYS 33 17.587 2.259 10.141 299 1HE LYS 33 1HE LYS 33 15.390 2.299 10.512 300 2HE LYS 33 2HE LYS 33 15.032 2.239 8.786 301 1HZ LYS 33 1HZ LYS 33 15.922 -0.287 9.526 302 2HZ LYS 33 2HZ LYS 33 14.803 0.189 10.703 303 3HZ LYS 33 3HZ LYS 33 14.357 0.165 9.070 304 H LEU 34 H LEU 34 16.925 0.951 3.823 305 HA LEU 34 HA LEU 34 19.173 -0.781 4.163 306 1HB LEU 34 1HB LEU 34 16.680 -0.769 2.650 307 2HB LEU 34 2HB LEU 34 18.012 -1.463 1.747 308 HG LEU 34 HG LEU 34 17.205 -2.369 4.509 309 1HD1 LEU 34 1HD1 LEU 34 15.477 -2.724 2.693 310 2HD1 LEU 34 2HD1 LEU 34 16.648 -3.795 1.924 311 3HD1 LEU 34 3HD1 LEU 34 16.038 -4.169 3.536 312 1HD2 LEU 34 1HD2 LEU 34 19.577 -2.737 3.740 313 2HD2 LEU 34 2HD2 LEU 34 18.676 -4.193 4.162 314 3HD2 LEU 34 3HD2 LEU 34 18.919 -3.766 2.467 315 H LYS 35 H LYS 35 18.312 1.800 1.964 316 HA LYS 35 HA LYS 35 20.363 1.282 0.054 317 1HB LYS 35 1HB LYS 35 18.172 3.020 0.260 318 2HB LYS 35 2HB LYS 35 19.584 4.064 0.167 319 1HG LYS 35 1HG LYS 35 20.287 2.892 -1.880 320 2HG LYS 35 2HG LYS 35 18.820 1.914 -1.797 321 1HD LYS 35 1HD LYS 35 17.839 4.464 -1.598 322 2HD LYS 35 2HD LYS 35 19.197 4.669 -2.706 323 1HE LYS 35 1HE LYS 35 17.013 2.614 -3.026 324 2HE LYS 35 2HE LYS 35 17.048 4.175 -3.846 325 1HZ LYS 35 1HZ LYS 35 19.506 2.867 -4.242 326 2HZ LYS 35 2HZ LYS 35 18.257 1.799 -4.645 327 3HZ LYS 35 3HZ LYS 35 18.350 3.313 -5.394 328 H GLN 36 H GLN 36 20.101 3.355 2.902 329 HA GLN 36 HA GLN 36 22.671 4.567 2.515 330 1HB GLN 36 1HB GLN 36 20.941 5.765 3.730 331 2HB GLN 36 2HB GLN 36 20.847 4.479 4.925 332 1HG GLN 36 1HG GLN 36 22.122 6.032 6.021 333 2HG GLN 36 2HG GLN 36 23.363 5.010 5.299 334 2HE2 GLN 36 2HE2 GLN 36 24.138 7.428 6.047 335 1HE2 GLN 36 1HE2 GLN 36 24.362 8.474 4.689 336 H SER 37 H SER 37 21.464 1.718 4.079 337 HA SER 37 HA SER 37 23.792 1.277 5.701 338 1HB SER 37 1HB SER 37 21.210 -0.037 5.255 339 2HB SER 37 2HB SER 37 22.538 -1.169 5.508 340 HG SER 37 HG SER 37 21.550 -0.520 7.477 341 H GLU 38 H GLU 38 22.798 0.522 2.471 342 HA GLU 38 HA GLU 38 24.646 -1.615 2.042 343 1HB GLU 38 1HB GLU 38 22.476 -0.955 0.725 344 2HB GLU 38 2HB GLU 38 23.573 0.072 -0.188 345 1HG GLU 38 1HG GLU 38 24.537 -2.660 0.144 346 2HG GLU 38 2HG GLU 38 23.011 -2.545 -0.731 347 H ASP 39 H ASP 39 24.798 1.845 1.883 348 HA ASP 39 HA ASP 39 27.102 2.040 0.225 349 1HB ASP 39 1HB ASP 39 25.427 3.856 1.799 350 2HB ASP 39 2HB ASP 39 27.127 4.320 1.774 351 H ASP 40 H ASP 40 26.591 1.446 3.605 352 HA ASP 40 HA ASP 40 28.002 0.992 5.330 353 1HB ASP 40 1HB ASP 40 29.453 0.112 2.914 354 2HB ASP 40 2HB ASP 40 30.456 0.366 4.340 355 H ASP 41 H ASP 41 29.800 1.814 6.571 356 HA ASP 41 HA ASP 41 30.940 3.583 7.448 357 1HB ASP 41 1HB ASP 41 31.897 4.077 4.631 358 2HB ASP 41 2HB ASP 41 32.754 4.387 6.137 359 H1 ALA 1 H1 ALA 1 25.287 -15.519 -0.054 360 H2 ALA 1 H2 ALA 1 24.541 -16.093 -1.489 361 H3 ALA 1 H3 ALA 1 25.046 -17.202 -0.280 362 HA ALA 1 HA ALA 1 27.154 -17.140 -0.872 363 1HB ALA 1 1HB ALA 1 25.391 -17.116 -3.028 364 2HB ALA 1 2HB ALA 1 26.711 -16.048 -3.505 365 3HB ALA 1 3HB ALA 1 27.053 -17.708 -3.018 366 H LEU 2 H LEU 2 26.113 -14.297 -2.741 367 HA LEU 2 HA LEU 2 28.424 -12.846 -1.645 368 1HB LEU 2 1HB LEU 2 26.862 -12.346 -4.180 369 2HB LEU 2 2HB LEU 2 28.237 -11.405 -3.633 370 HG LEU 2 HG LEU 2 28.786 -14.277 -3.870 371 1HD1 LEU 2 1HD1 LEU 2 27.211 -13.947 -5.749 372 2HD1 LEU 2 2HD1 LEU 2 28.265 -12.675 -6.369 373 3HD1 LEU 2 3HD1 LEU 2 28.849 -14.337 -6.274 374 1HD2 LEU 2 1HD2 LEU 2 30.106 -11.731 -4.789 375 2HD2 LEU 2 2HD2 LEU 2 30.574 -12.766 -3.438 376 3HD2 LEU 2 3HD2 LEU 2 30.762 -13.340 -5.096 377 H LYS 3 H LYS 3 28.016 -10.352 -1.752 378 HA LYS 3 HA LYS 3 25.594 -9.873 -0.184 379 1HB LYS 3 1HB LYS 3 28.279 -8.646 -0.336 380 2HB LYS 3 2HB LYS 3 26.949 -7.535 -0.041 381 1HG LYS 3 1HG LYS 3 28.002 -8.336 2.028 382 2HG LYS 3 2HG LYS 3 26.295 -8.772 1.922 383 1HD LYS 3 1HD LYS 3 27.255 -10.980 0.872 384 2HD LYS 3 2HD LYS 3 28.718 -10.502 1.735 385 1HE LYS 3 1HE LYS 3 27.850 -11.439 3.555 386 2HE LYS 3 2HE LYS 3 26.651 -10.146 3.568 387 1HZ LYS 3 1HZ LYS 3 25.831 -12.063 1.711 388 2HZ LYS 3 2HZ LYS 3 26.250 -12.884 3.129 389 3HZ LYS 3 3HZ LYS 3 25.095 -11.649 3.178 390 H LYS 4 H LYS 4 25.682 -10.120 -3.164 391 HA LYS 4 HA LYS 4 25.094 -7.446 -4.109 392 1HB LYS 4 1HB LYS 4 24.760 -8.500 -6.283 393 2HB LYS 4 2HB LYS 4 26.271 -9.040 -5.566 394 1HG LYS 4 1HG LYS 4 25.474 -11.034 -6.297 395 2HG LYS 4 2HG LYS 4 24.739 -11.009 -4.693 396 1HD LYS 4 1HD LYS 4 22.850 -9.705 -6.111 397 2HD LYS 4 2HD LYS 4 23.496 -10.774 -7.358 398 1HE LYS 4 1HE LYS 4 23.224 -12.649 -5.651 399 2HE LYS 4 2HE LYS 4 22.248 -11.509 -4.725 400 1HZ LYS 4 1HZ LYS 4 20.991 -11.245 -6.954 401 2HZ LYS 4 2HZ LYS 4 21.679 -12.743 -7.333 402 3HZ LYS 4 3HZ LYS 4 20.677 -12.593 -5.979 403 H HIS 5 H HIS 5 23.375 -10.300 -3.083 404 HA HIS 5 HA HIS 5 20.865 -9.842 -4.174 405 1HB HIS 5 1HB HIS 5 20.003 -11.104 -2.169 406 2HB HIS 5 2HB HIS 5 21.288 -11.913 -3.059 407 HD1 HIS 5 HD1 HIS 5 22.771 -13.063 -1.462 408 HD2 HIS 5 HD2 HIS 5 21.468 -9.403 0.015 409 HE1 HIS 5 HE1 HIS 5 23.893 -12.803 0.773 410 HE2 HIS 5 HE2 HIS 5 23.092 -10.580 1.649 411 H HIS 6 H HIS 6 22.517 -8.153 -1.654 412 HA HIS 6 HA HIS 6 20.290 -7.032 -0.328 413 1HB HIS 6 1HB HIS 6 23.107 -6.877 -0.127 414 2HB HIS 6 2HB HIS 6 22.524 -5.225 -0.312 415 HD1 HIS 6 HD1 HIS 6 20.674 -7.930 1.561 416 HD2 HIS 6 HD2 HIS 6 22.811 -4.446 2.310 417 HE1 HIS 6 HE1 HIS 6 20.332 -7.445 4.005 418 HE2 HIS 6 HE2 HIS 6 21.634 -5.332 4.438 419 H GLU 7 H GLU 7 22.470 -5.570 -2.750 420 HA GLU 7 HA GLU 7 21.114 -3.193 -3.119 421 1HB GLU 7 1HB GLU 7 22.391 -4.667 -5.411 422 2HB GLU 7 2HB GLU 7 22.317 -2.933 -5.134 423 1HG GLU 7 1HG GLU 7 23.744 -3.412 -3.054 424 2HG GLU 7 2HG GLU 7 24.054 -4.975 -3.807 425 H ASN 8 H ASN 8 20.274 -6.379 -4.170 426 HA ASN 8 HA ASN 8 18.444 -5.614 -6.218 427 1HB ASN 8 1HB ASN 8 18.898 -8.155 -4.667 428 2HB ASN 8 2HB ASN 8 17.551 -8.002 -5.789 429 2HD2 ASN 8 2HD2 ASN 8 18.203 -9.398 -7.326 430 1HD2 ASN 8 1HD2 ASN 8 19.638 -9.208 -8.268 431 H GLU 9 H GLU 9 17.914 -6.885 -2.924 432 HA GLU 9 HA GLU 9 15.160 -6.446 -2.843 433 1HB GLU 9 1HB GLU 9 17.053 -7.452 -1.105 434 2HB GLU 9 2HB GLU 9 16.506 -5.997 -0.284 435 1HG GLU 9 1HG GLU 9 15.109 -7.658 0.531 436 2HG GLU 9 2HG GLU 9 14.140 -6.868 -0.712 437 H ILE 10 H ILE 10 17.784 -4.231 -2.692 438 HA ILE 10 HA ILE 10 16.471 -2.133 -1.307 439 HB ILE 10 HB ILE 10 19.062 -2.641 -2.253 440 1HG1 ILE 10 1HG1 ILE 10 18.706 0.030 -1.154 441 2HG1 ILE 10 2HG1 ILE 10 17.815 -1.197 -0.259 442 1HG2 ILE 10 1HG2 ILE 10 18.039 -0.095 -3.500 443 2HG2 ILE 10 2HG2 ILE 10 19.740 -0.529 -3.328 444 3HG2 ILE 10 3HG2 ILE 10 18.680 -1.505 -4.342 445 1HD1 ILE 10 1HD1 ILE 10 20.335 -2.301 -0.726 446 2HD1 ILE 10 2HD1 ILE 10 20.622 -0.623 -0.264 447 3HD1 ILE 10 3HD1 ILE 10 19.695 -1.683 0.797 448 H SER 11 H SER 11 17.164 -2.650 -4.768 449 HA SER 11 HA SER 11 15.693 -0.419 -5.676 450 1HB SER 11 1HB SER 11 17.287 -2.441 -6.835 451 2HB SER 11 2HB SER 11 15.720 -2.523 -7.641 452 HG SER 11 HG SER 11 17.611 -0.473 -7.611 453 H HIS 12 H HIS 12 14.760 -3.610 -4.712 454 HA HIS 12 HA HIS 12 12.230 -3.588 -6.047 455 1HB HIS 12 1HB HIS 12 12.635 -5.774 -5.669 456 2HB HIS 12 2HB HIS 12 13.773 -5.426 -4.379 457 HD1 HIS 12 HD1 HIS 12 10.174 -6.255 -4.999 458 HD2 HIS 12 HD2 HIS 12 12.739 -5.590 -1.804 459 HE1 HIS 12 HE1 HIS 12 8.913 -7.015 -2.959 460 HE2 HIS 12 HE2 HIS 12 10.485 -6.604 -1.032 461 H HIS 13 H HIS 13 13.396 -2.746 -2.816 462 HA HIS 13 HA HIS 13 10.843 -2.353 -1.656 463 1HB HIS 13 1HB HIS 13 13.421 -0.953 -0.919 464 2HB HIS 13 2HB HIS 13 11.984 -1.102 0.083 465 HD1 HIS 13 HD1 HIS 13 11.603 -4.221 -0.556 466 HD2 HIS 13 HD2 HIS 13 15.034 -2.336 0.827 467 HE1 HIS 13 HE1 HIS 13 12.922 -6.010 0.625 468 HE2 HIS 13 HE2 HIS 13 15.001 -4.850 1.449 469 H ALA 14 H ALA 14 12.950 -0.376 -3.621 470 HA ALA 14 HA ALA 14 11.688 2.115 -3.189 471 1HB ALA 14 1HB ALA 14 13.914 1.318 -4.524 472 2HB ALA 14 2HB ALA 14 12.822 1.668 -5.864 473 3HB ALA 14 3HB ALA 14 13.182 2.916 -4.672 474 H LYS 15 H LYS 15 11.391 -0.167 -5.913 475 HA LYS 15 HA LYS 15 9.215 1.138 -7.129 476 1HB LYS 15 1HB LYS 15 10.490 -1.538 -7.350 477 2HB LYS 15 2HB LYS 15 8.857 -1.378 -7.982 478 1HG LYS 15 1HG LYS 15 11.292 0.181 -8.814 479 2HG LYS 15 2HG LYS 15 10.405 -1.013 -9.763 480 1HD LYS 15 1HD LYS 15 8.407 0.689 -9.201 481 2HD LYS 15 2HD LYS 15 9.766 1.815 -9.184 482 1HE LYS 15 1HE LYS 15 9.220 1.902 -11.399 483 2HE LYS 15 2HE LYS 15 10.376 0.570 -11.427 484 1HZ LYS 15 1HZ LYS 15 8.034 -0.675 -10.915 485 2HZ LYS 15 2HZ LYS 15 7.550 0.558 -11.967 486 3HZ LYS 15 3HZ LYS 15 8.748 -0.540 -12.443 487 H GLU 16 H GLU 16 9.424 -0.782 -4.306 488 HA GLU 16 HA GLU 16 6.704 -1.712 -4.344 489 1HB GLU 16 1HB GLU 16 8.599 -2.912 -3.203 490 2HB GLU 16 2HB GLU 16 8.613 -1.626 -2.004 491 1HG GLU 16 1HG GLU 16 6.632 -2.286 -1.066 492 2HG GLU 16 2HG GLU 16 6.062 -3.056 -2.547 493 H ILE 17 H ILE 17 8.488 0.983 -2.930 494 HA ILE 17 HA ILE 17 6.341 1.836 -1.249 495 HB ILE 17 HB ILE 17 7.655 3.664 -0.651 496 1HG1 ILE 17 1HG1 ILE 17 9.812 4.040 -2.270 497 2HG1 ILE 17 2HG1 ILE 17 8.599 3.571 -3.453 498 1HG2 ILE 17 1HG2 ILE 17 8.808 1.149 -0.785 499 2HG2 ILE 17 2HG2 ILE 17 10.072 2.243 -1.345 500 3HG2 ILE 17 3HG2 ILE 17 9.320 2.496 0.228 501 1HD1 ILE 17 1HD1 ILE 17 7.467 5.484 -1.674 502 2HD1 ILE 17 2HD1 ILE 17 9.005 6.090 -2.286 503 3HD1 ILE 17 3HD1 ILE 17 7.739 5.602 -3.412 504 H GLU 18 H GLU 18 7.360 2.540 -4.533 505 HA GLU 18 HA GLU 18 5.538 4.725 -4.898 506 1HB GLU 18 1HB GLU 18 7.734 4.016 -6.223 507 2HB GLU 18 2HB GLU 18 6.564 3.162 -7.220 508 1HG GLU 18 1HG GLU 18 6.399 5.074 -8.345 509 2HG GLU 18 2HG GLU 18 5.418 5.627 -6.986 510 H ARG 19 H ARG 19 5.563 1.293 -5.783 511 HA ARG 19 HA ARG 19 3.039 1.356 -7.094 512 1HB ARG 19 1HB ARG 19 4.935 -0.400 -7.278 513 2HB ARG 19 2HB ARG 19 4.220 -1.106 -5.837 514 1HG ARG 19 1HG ARG 19 3.042 -2.300 -7.325 515 2HG ARG 19 2HG ARG 19 2.028 -0.857 -7.379 516 1HD ARG 19 1HD ARG 19 4.390 -1.166 -9.198 517 2HD ARG 19 2HD ARG 19 2.830 -1.881 -9.602 518 HE ARG 19 HE ARG 19 3.550 0.850 -9.835 519 1HH1 ARG 19 1HH1 ARG 19 0.889 -1.237 -9.004 520 2HH1 ARG 19 2HH1 ARG 19 -0.324 -0.091 -9.467 521 1HH2 ARG 19 1HH2 ARG 19 1.960 2.368 -10.447 522 2HH2 ARG 19 2HH2 ARG 19 0.284 1.958 -10.287 523 H LEU 20 H LEU 20 4.042 1.136 -3.795 524 HA LEU 20 HA LEU 20 1.659 -0.044 -2.771 525 1HB LEU 20 1HB LEU 20 4.117 1.143 -1.686 526 2HB LEU 20 2HB LEU 20 2.703 1.382 -0.682 527 HG LEU 20 HG LEU 20 4.149 -0.661 -0.194 528 1HD1 LEU 20 1HD1 LEU 20 1.768 -0.232 0.559 529 2HD1 LEU 20 2HD1 LEU 20 1.268 -1.296 -0.755 530 3HD1 LEU 20 3HD1 LEU 20 2.298 -1.914 0.536 531 1HD2 LEU 20 1HD2 LEU 20 3.652 -1.141 -2.922 532 2HD2 LEU 20 2HD2 LEU 20 4.501 -2.177 -1.774 533 3HD2 LEU 20 3HD2 LEU 20 2.766 -2.372 -2.022 534 H GLN 21 H GLN 21 2.845 3.270 -3.160 535 HA GLN 21 HA GLN 21 0.713 4.583 -1.887 536 1HB GLN 21 1HB GLN 21 3.042 5.386 -3.041 537 2HB GLN 21 2HB GLN 21 1.876 5.935 -4.238 538 1HG GLN 21 1HG GLN 21 0.937 6.641 -1.642 539 2HG GLN 21 2HG GLN 21 2.610 7.166 -1.813 540 2HE2 GLN 21 2HE2 GLN 21 3.129 8.442 -3.733 541 1HE2 GLN 21 1HE2 GLN 21 1.934 9.519 -4.363 542 H LYS 22 H LYS 22 1.224 3.811 -5.324 543 HA LYS 22 HA LYS 22 -1.243 4.840 -6.223 544 1HB LYS 22 1HB LYS 22 0.945 3.238 -7.327 545 2HB LYS 22 2HB LYS 22 -0.624 2.833 -8.010 546 1HG LYS 22 1HG LYS 22 0.367 4.490 -9.395 547 2HG LYS 22 2HG LYS 22 -0.953 5.255 -8.506 548 1HD LYS 22 1HD LYS 22 1.654 5.378 -7.166 549 2HD LYS 22 2HD LYS 22 1.578 6.246 -8.701 550 1HE LYS 22 1HE LYS 22 -0.762 6.699 -7.033 551 2HE LYS 22 2HE LYS 22 0.738 7.189 -6.246 552 1HZ LYS 22 1HZ LYS 22 0.058 8.016 -9.006 553 2HZ LYS 22 2HZ LYS 22 -0.415 8.914 -7.654 554 3HZ LYS 22 3HZ LYS 22 1.228 8.673 -7.977 555 H GLU 23 H GLU 23 -0.361 1.873 -4.679 556 HA GLU 23 HA GLU 23 -2.666 0.382 -5.478 557 1HB GLU 23 1HB GLU 23 -0.666 -0.804 -4.832 558 2HB GLU 23 2HB GLU 23 -0.667 -0.032 -3.252 559 1HG GLU 23 1HG GLU 23 -1.471 -2.409 -3.318 560 2HG GLU 23 2HG GLU 23 -2.552 -1.252 -2.543 561 H ILE 24 H ILE 24 -1.869 2.522 -2.824 562 HA ILE 24 HA ILE 24 -4.090 1.809 -1.192 563 HB ILE 24 HB ILE 24 -3.383 3.358 0.318 564 1HG1 ILE 24 1HG1 ILE 24 -2.139 5.521 -0.426 565 2HG1 ILE 24 2HG1 ILE 24 -2.817 5.173 -2.013 566 1HG2 ILE 24 1HG2 ILE 24 -1.385 2.021 -0.763 567 2HG2 ILE 24 2HG2 ILE 24 -0.833 3.647 -1.162 568 3HG2 ILE 24 3HG2 ILE 24 -1.128 3.205 0.516 569 1HD1 ILE 24 1HD1 ILE 24 -4.892 4.948 -0.086 570 2HD1 ILE 24 2HD1 ILE 24 -4.037 6.470 0.175 571 3HD1 ILE 24 3HD1 ILE 24 -4.725 6.106 -1.408 572 H GLU 25 H GLU 25 -3.510 4.321 -3.606 573 HA GLU 25 HA GLU 25 -5.962 5.679 -3.314 574 1HB GLU 25 1HB GLU 25 -3.910 6.479 -4.565 575 2HB GLU 25 2HB GLU 25 -4.387 5.409 -5.876 576 1HG GLU 25 1HG GLU 25 -5.572 7.095 -6.680 577 2HG GLU 25 2HG GLU 25 -6.679 6.859 -5.327 578 H ARG 26 H ARG 26 -4.969 3.005 -5.414 579 HA ARG 26 HA ARG 26 -7.328 2.763 -6.895 580 1HB ARG 26 1HB ARG 26 -4.988 1.077 -6.316 581 2HB ARG 26 2HB ARG 26 -6.450 0.175 -6.692 582 1HG ARG 26 1HG ARG 26 -6.672 1.449 -8.785 583 2HG ARG 26 2HG ARG 26 -5.163 2.285 -8.412 584 1HD ARG 26 1HD ARG 26 -3.918 0.558 -9.093 585 2HD ARG 26 2HD ARG 26 -4.925 -0.611 -8.240 586 HE ARG 26 HE ARG 26 -6.435 0.072 -10.383 587 1HH1 ARG 26 1HH1 ARG 26 -3.159 -1.048 -10.008 588 2HH1 ARG 26 2HH1 ARG 26 -3.123 -1.857 -11.539 589 1HH2 ARG 26 1HH2 ARG 26 -6.399 -0.989 -12.401 590 2HH2 ARG 26 2HH2 ARG 26 -4.965 -1.823 -12.900 591 H HIS 27 H HIS 27 -6.424 1.515 -3.731 592 HA HIS 27 HA HIS 27 -8.698 -0.154 -3.391 593 1HB HIS 27 1HB HIS 27 -6.407 0.692 -1.808 594 2HB HIS 27 2HB HIS 27 -7.874 0.607 -0.841 595 HD1 HIS 27 HD1 HIS 27 -9.248 -1.823 -1.421 596 HD2 HIS 27 HD2 HIS 27 -5.112 -1.667 -1.793 597 HE1 HIS 27 HE1 HIS 27 -8.470 -4.212 -1.303 598 HE2 HIS 27 HE2 HIS 27 -5.965 -4.094 -1.530 599 H LYS 28 H LYS 28 -8.061 3.230 -2.928 600 HA LYS 28 HA LYS 28 -10.320 3.781 -1.272 601 1HB LYS 28 1HB LYS 28 -8.290 5.231 -1.426 602 2HB LYS 28 2HB LYS 28 -8.790 5.689 -3.048 603 1HG LYS 28 1HG LYS 28 -11.017 6.355 -1.825 604 2HG LYS 28 2HG LYS 28 -9.954 6.440 -0.418 605 1HD LYS 28 1HD LYS 28 -9.517 8.529 -1.101 606 2HD LYS 28 2HD LYS 28 -8.505 7.764 -2.329 607 1HE LYS 28 1HE LYS 28 -10.010 8.137 -3.998 608 2HE LYS 28 2HE LYS 28 -11.399 8.036 -2.916 609 1HZ LYS 28 1HZ LYS 28 -10.486 10.237 -1.986 610 2HZ LYS 28 2HZ LYS 28 -9.628 10.331 -3.441 611 3HZ LYS 28 3HZ LYS 28 -11.317 10.263 -3.458 612 H GLN 29 H GLN 29 -9.775 3.525 -4.697 613 HA GLN 29 HA GLN 29 -12.210 4.842 -5.460 614 1HB GLN 29 1HB GLN 29 -9.984 4.426 -6.818 615 2HB GLN 29 2HB GLN 29 -10.791 2.929 -7.267 616 1HG GLN 29 1HG GLN 29 -11.745 4.073 -8.905 617 2HG GLN 29 2HG GLN 29 -12.725 4.857 -7.667 618 2HE2 GLN 29 2HE2 GLN 29 -12.090 6.907 -6.895 619 1HE2 GLN 29 1HE2 GLN 29 -11.061 7.934 -7.829 620 H SER 30 H SER 30 -11.172 1.531 -4.898 621 HA SER 30 HA SER 30 -13.572 0.344 -5.914 622 1HB SER 30 1HB SER 30 -11.107 -0.606 -4.568 623 2HB SER 30 2HB SER 30 -12.544 -1.605 -4.353 624 HG SER 30 HG SER 30 -12.706 -1.799 -6.579 625 H ILE 31 H ILE 31 -12.451 1.451 -2.788 626 HA ILE 31 HA ILE 31 -14.592 0.240 -1.311 627 HB ILE 31 HB ILE 31 -12.438 0.736 -0.249 628 1HG1 ILE 31 1HG1 ILE 31 -14.984 1.070 0.801 629 2HG1 ILE 31 2HG1 ILE 31 -13.506 0.850 1.719 630 1HG2 ILE 31 1HG2 ILE 31 -11.998 2.827 -1.500 631 2HG2 ILE 31 2HG2 ILE 31 -13.180 3.646 -0.481 632 3HG2 ILE 31 3HG2 ILE 31 -11.717 2.971 0.235 633 1HD1 ILE 31 1HD1 ILE 31 -14.235 3.616 0.929 634 2HD1 ILE 31 2HD1 ILE 31 -15.183 2.831 2.190 635 3HD1 ILE 31 3HD1 ILE 31 -13.441 3.019 2.387 636 H LYS 32 H LYS 32 -14.023 3.309 -2.879 637 HA LYS 32 HA LYS 32 -16.261 4.635 -1.662 638 1HB LYS 32 1HB LYS 32 -14.128 5.687 -2.696 639 2HB LYS 32 2HB LYS 32 -14.963 5.498 -4.232 640 1HG LYS 32 1HG LYS 32 -16.878 6.704 -2.729 641 2HG LYS 32 2HG LYS 32 -15.406 7.417 -2.066 642 1HD LYS 32 1HD LYS 32 -16.200 8.796 -3.875 643 2HD LYS 32 2HD LYS 32 -14.707 7.998 -4.374 644 1HE LYS 32 1HE LYS 32 -16.572 6.199 -5.191 645 2HE LYS 32 2HE LYS 32 -17.442 7.718 -5.408 646 1HZ LYS 32 1HZ LYS 32 -14.714 7.262 -6.473 647 2HZ LYS 32 2HZ LYS 32 -16.114 6.935 -7.365 648 3HZ LYS 32 3HZ LYS 32 -15.782 8.516 -6.860 649 H LYS 33 H LYS 33 -15.652 2.881 -4.647 650 HA LYS 33 HA LYS 33 -18.176 3.533 -5.833 651 1HB LYS 33 1HB LYS 33 -15.787 2.358 -6.701 652 2HB LYS 33 2HB LYS 33 -16.996 1.090 -6.845 653 1HG LYS 33 1HG LYS 33 -18.399 2.952 -8.013 654 2HG LYS 33 2HG LYS 33 -16.825 3.714 -8.247 655 1HD LYS 33 1HD LYS 33 -17.445 0.876 -9.048 656 2HD LYS 33 2HD LYS 33 -17.589 2.255 -10.140 657 1HE LYS 33 1HE LYS 33 -15.392 2.294 -10.511 658 2HE LYS 33 2HE LYS 33 -15.035 2.236 -8.785 659 1HZ LYS 33 1HZ LYS 33 -15.924 -0.291 -9.523 660 2HZ LYS 33 2HZ LYS 33 -14.805 0.184 -10.699 661 3HZ LYS 33 3HZ LYS 33 -14.360 0.162 -9.067 662 H LEU 34 H LEU 34 -16.925 0.951 -3.826 663 HA LEU 34 HA LEU 34 -19.174 -0.782 -4.159 664 1HB LEU 34 1HB LEU 34 -16.679 -0.766 -2.650 665 2HB LEU 34 2HB LEU 34 -18.010 -1.456 -1.742 666 HG LEU 34 HG LEU 34 -17.206 -2.372 -4.502 667 1HD1 LEU 34 1HD1 LEU 34 -15.478 -2.727 -2.688 668 2HD1 LEU 34 2HD1 LEU 34 -16.652 -3.789 -1.911 669 3HD1 LEU 34 3HD1 LEU 34 -16.046 -4.174 -3.522 670 1HD2 LEU 34 1HD2 LEU 34 -19.579 -2.732 -3.734 671 2HD2 LEU 34 2HD2 LEU 34 -18.681 -4.191 -4.154 672 3HD2 LEU 34 3HD2 LEU 34 -18.923 -3.761 -2.460 673 H LYS 35 H LYS 35 -18.311 1.802 -1.961 674 HA LYS 35 HA LYS 35 -20.362 1.285 -0.052 675 1HB LYS 35 1HB LYS 35 -18.170 3.023 -0.259 676 2HB LYS 35 2HB LYS 35 -19.582 4.068 -0.169 677 1HG LYS 35 1HG LYS 35 -20.287 2.898 1.879 678 2HG LYS 35 2HG LYS 35 -18.820 1.921 1.800 679 1HD LYS 35 1HD LYS 35 -17.839 4.473 1.597 680 2HD LYS 35 2HD LYS 35 -19.198 4.677 2.705 681 1HE LYS 35 1HE LYS 35 -17.014 2.625 3.028 682 2HE LYS 35 2HE LYS 35 -17.048 4.186 3.844 683 1HZ LYS 35 1HZ LYS 35 -19.506 2.879 4.245 684 2HZ LYS 35 2HZ LYS 35 -18.257 1.812 4.648 685 3HZ LYS 35 3HZ LYS 35 -18.349 3.326 5.395 686 H GLN 36 H GLN 36 -20.101 3.360 -2.900 687 HA GLN 36 HA GLN 36 -22.671 4.570 -2.513 688 1HB GLN 36 1HB GLN 36 -20.942 5.769 -3.729 689 2HB GLN 36 2HB GLN 36 -20.846 4.482 -4.923 690 1HG GLN 36 1HG GLN 36 -22.124 6.031 -6.022 691 2HG GLN 36 2HG GLN 36 -23.365 5.009 -5.298 692 2HE2 GLN 36 2HE2 GLN 36 -24.139 7.427 -6.050 693 1HE2 GLN 36 1HE2 GLN 36 -24.363 8.474 -4.694 694 H SER 37 H SER 37 -21.463 1.720 -4.075 695 HA SER 37 HA SER 37 -23.793 1.278 -5.696 696 1HB SER 37 1HB SER 37 -21.210 -0.035 -5.251 697 2HB SER 37 2HB SER 37 -22.538 -1.167 -5.502 698 HG SER 37 HG SER 37 -21.553 -0.522 -7.471 699 H GLU 38 H GLU 38 -22.799 0.528 -2.466 700 HA GLU 38 HA GLU 38 -24.645 -1.611 -2.034 701 1HB GLU 38 1HB GLU 38 -22.475 -0.948 -0.718 702 2HB GLU 38 2HB GLU 38 -23.573 0.079 0.193 703 1HG GLU 38 1HG GLU 38 -24.537 -2.653 -0.136 704 2HG GLU 38 2HG GLU 38 -23.010 -2.537 0.738 705 H ASP 39 H ASP 39 -24.800 1.850 -1.881 706 HA ASP 39 HA ASP 39 -27.102 2.045 -0.222 707 1HB ASP 39 1HB ASP 39 -25.428 3.861 -1.798 708 2HB ASP 39 2HB ASP 39 -27.127 4.324 -1.773 709 H ASP 40 H ASP 40 -26.592 1.449 -3.602 710 HA ASP 40 HA ASP 40 -28.003 0.992 -5.325 711 1HB ASP 40 1HB ASP 40 -29.455 0.116 -2.909 712 2HB ASP 40 2HB ASP 40 -30.457 0.369 -4.335 713 H ASP 41 H ASP 41 -29.803 1.812 -6.566 714 HA ASP 41 HA ASP 41 -30.941 3.582 -7.446 715 1HB ASP 41 1HB ASP 41 -31.900 4.080 -4.630 716 2HB ASP 41 2HB ASP 41 -32.756 4.385 -6.139 No H/Q in entry = 716 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -29.455 -14.594 0.401 2 H2 ALA 1 H2 ALA 1 -29.694 -14.860 -1.277 3 H3 ALA 1 H3 ALA 1 -28.633 -15.874 -0.393 4 HA ALA 1 HA ALA 1 -27.102 -14.181 -0.078 5 1HB ALA 1 1HB ALA 1 -27.619 -15.281 -2.481 6 2HB ALA 1 2HB ALA 1 -27.752 -13.569 -2.884 7 3HB ALA 1 3HB ALA 1 -26.266 -14.193 -2.170 8 H LEU 2 H LEU 2 -28.390 -12.679 1.310 9 HA LEU 2 HA LEU 2 -29.844 -10.525 0.224 10 1HB LEU 2 1HB LEU 2 -28.311 -10.246 2.775 11 2HB LEU 2 2HB LEU 2 -29.911 -9.654 2.373 12 HG LEU 2 HG LEU 2 -30.209 -12.402 2.249 13 1HD1 LEU 2 1HD1 LEU 2 -28.137 -11.663 4.249 14 2HD1 LEU 2 2HD1 LEU 2 -29.333 -12.884 4.684 15 3HD1 LEU 2 3HD1 LEU 2 -28.299 -13.123 3.275 16 1HD2 LEU 2 1HD2 LEU 2 -30.795 -10.386 4.402 17 2HD2 LEU 2 2HD2 LEU 2 -31.883 -11.009 3.161 18 3HD2 LEU 2 3HD2 LEU 2 -31.354 -12.057 4.478 19 H LYS 3 H LYS 3 -28.998 -8.173 0.902 20 HA LYS 3 HA LYS 3 -26.564 -7.799 -0.670 21 1HB LYS 3 1HB LYS 3 -29.015 -6.356 -0.367 22 2HB LYS 3 2HB LYS 3 -27.685 -5.307 0.105 23 1HG LYS 3 1HG LYS 3 -28.356 -5.184 -2.304 24 2HG LYS 3 2HG LYS 3 -26.647 -5.516 -2.012 25 1HD LYS 3 1HD LYS 3 -26.817 -7.707 -2.716 26 2HD LYS 3 2HD LYS 3 -28.545 -7.794 -2.368 27 1HE LYS 3 1HE LYS 3 -28.881 -7.480 -4.548 28 2HE LYS 3 2HE LYS 3 -28.349 -5.817 -4.295 29 1HZ LYS 3 1HZ LYS 3 -26.433 -8.001 -4.855 30 2HZ LYS 3 2HZ LYS 3 -27.188 -7.137 -6.097 31 3HZ LYS 3 3HZ LYS 3 -26.193 -6.332 -4.992 32 H LYS 4 H LYS 4 -26.608 -8.728 2.169 33 HA LYS 4 HA LYS 4 -25.535 -6.531 3.697 34 1HB LYS 4 1HB LYS 4 -26.835 -8.267 4.816 35 2HB LYS 4 2HB LYS 4 -25.678 -9.489 4.303 36 1HG LYS 4 1HG LYS 4 -24.559 -7.236 5.830 37 2HG LYS 4 2HG LYS 4 -25.648 -8.306 6.716 38 1HD LYS 4 1HD LYS 4 -23.484 -9.480 5.025 39 2HD LYS 4 2HD LYS 4 -23.083 -8.819 6.611 40 1HE LYS 4 1HE LYS 4 -24.806 -10.279 7.614 41 2HE LYS 4 2HE LYS 4 -25.108 -10.976 6.023 42 1HZ LYS 4 1HZ LYS 4 -22.421 -11.219 6.326 43 2HZ LYS 4 2HZ LYS 4 -23.000 -11.529 7.885 44 3HZ LYS 4 3HZ LYS 4 -23.554 -12.449 6.579 45 H HIS 5 H HIS 5 -24.302 -9.271 1.893 46 HA HIS 5 HA HIS 5 -21.703 -9.423 2.794 47 1HB HIS 5 1HB HIS 5 -21.148 -10.143 0.423 48 2HB HIS 5 2HB HIS 5 -22.441 -11.037 1.217 49 HD1 HIS 5 HD1 HIS 5 -24.204 -11.548 -0.426 50 HD2 HIS 5 HD2 HIS 5 -22.566 -7.781 -1.054 51 HE1 HIS 5 HE1 HIS 5 -25.476 -10.577 -2.367 52 HE2 HIS 5 HE2 HIS 5 -24.469 -8.295 -2.729 53 H HIS 6 H HIS 6 -23.209 -6.915 0.952 54 HA HIS 6 HA HIS 6 -20.908 -5.759 -0.201 55 1HB HIS 6 1HB HIS 6 -23.718 -5.038 0.158 56 2HB HIS 6 2HB HIS 6 -22.643 -3.646 0.233 57 HD1 HIS 6 HD1 HIS 6 -21.519 -6.366 -1.984 58 HD2 HIS 6 HD2 HIS 6 -23.776 -2.890 -2.294 59 HE1 HIS 6 HE1 HIS 6 -21.685 -5.890 -4.448 60 HE2 HIS 6 HE2 HIS 6 -23.055 -3.781 -4.613 61 H GLU 7 H GLU 7 -22.639 -5.048 2.825 62 HA GLU 7 HA GLU 7 -21.059 -2.926 3.691 63 1HB GLU 7 1HB GLU 7 -23.246 -3.989 4.680 64 2HB GLU 7 2HB GLU 7 -22.120 -4.922 5.654 65 1HG GLU 7 1HG GLU 7 -21.093 -2.582 6.183 66 2HG GLU 7 2HG GLU 7 -22.679 -1.998 5.681 67 H ASN 8 H ASN 8 -20.419 -6.324 3.623 68 HA ASN 8 HA ASN 8 -18.302 -6.335 5.531 69 1HB ASN 8 1HB ASN 8 -19.265 -8.240 3.425 70 2HB ASN 8 2HB ASN 8 -17.700 -8.509 4.187 71 2HD2 ASN 8 2HD2 ASN 8 -18.554 -10.463 5.026 72 1HD2 ASN 8 1HD2 ASN 8 -19.573 -10.451 6.421 73 H GLU 9 H GLU 9 -18.264 -6.588 1.970 74 HA GLU 9 HA GLU 9 -15.510 -6.290 1.648 75 1HB GLU 9 1HB GLU 9 -17.833 -6.338 -0.038 76 2HB GLU 9 2HB GLU 9 -16.770 -5.038 -0.557 77 1HG GLU 9 1HG GLU 9 -14.901 -6.733 -0.553 78 2HG GLU 9 2HG GLU 9 -16.144 -7.966 -0.347 79 H ILE 10 H ILE 10 -17.925 -3.991 2.489 80 HA ILE 10 HA ILE 10 -16.583 -1.651 1.605 81 HB ILE 10 HB ILE 10 -19.095 -2.264 2.683 82 1HG1 ILE 10 1HG1 ILE 10 -18.701 0.578 2.411 83 2HG1 ILE 10 2HG1 ILE 10 -17.878 -0.294 1.123 84 1HG2 ILE 10 1HG2 ILE 10 -18.268 -1.815 4.954 85 2HG2 ILE 10 2HG2 ILE 10 -17.813 -0.189 4.450 86 3HG2 ILE 10 3HG2 ILE 10 -19.507 -0.672 4.448 87 1HD1 ILE 10 1HD1 ILE 10 -20.266 -1.562 1.154 88 2HD1 ILE 10 2HD1 ILE 10 -20.737 0.071 1.630 89 3HD1 ILE 10 3HD1 ILE 10 -19.872 -0.190 0.116 90 H SER 11 H SER 11 -16.891 -3.190 4.802 91 HA SER 11 HA SER 11 -15.177 -1.383 6.137 92 1HB SER 11 1HB SER 11 -15.369 -2.799 8.004 93 2HB SER 11 2HB SER 11 -16.885 -3.037 7.137 94 HG SER 11 HG SER 11 -16.145 -5.051 7.588 95 H HIS 12 H HIS 12 -14.559 -4.085 4.083 96 HA HIS 12 HA HIS 12 -11.901 -4.540 5.085 97 1HB HIS 12 1HB HIS 12 -12.350 -6.530 4.161 98 2HB HIS 12 2HB HIS 12 -13.751 -5.884 3.325 99 HD1 HIS 12 HD1 HIS 12 -9.984 -6.108 2.808 100 HD2 HIS 12 HD2 HIS 12 -13.522 -5.940 0.640 101 HE1 HIS 12 HE1 HIS 12 -9.311 -6.414 0.404 102 HE2 HIS 12 HE2 HIS 12 -11.469 -6.313 -0.894 103 H HIS 13 H HIS 13 -13.360 -2.843 2.335 104 HA HIS 13 HA HIS 13 -10.864 -2.200 1.111 105 1HB HIS 13 1HB HIS 13 -13.444 -0.665 0.814 106 2HB HIS 13 2HB HIS 13 -12.092 -0.706 -0.306 107 HD1 HIS 13 HD1 HIS 13 -11.870 -3.921 -0.193 108 HD2 HIS 13 HD2 HIS 13 -15.237 -1.637 -1.018 109 HE1 HIS 13 HE1 HIS 13 -13.378 -5.417 -1.542 110 HE2 HIS 13 HE2 HIS 13 -15.415 -4.015 -2.030 111 H ALA 14 H ALA 14 -12.710 -0.879 3.720 112 HA ALA 14 HA ALA 14 -11.512 1.723 3.684 113 1HB ALA 14 1HB ALA 14 -13.579 0.393 5.151 114 2HB ALA 14 2HB ALA 14 -13.249 2.119 5.013 115 3HB ALA 14 3HB ALA 14 -12.465 1.170 6.276 116 H LYS 15 H LYS 15 -11.120 -1.158 5.739 117 HA LYS 15 HA LYS 15 -8.855 -0.061 7.108 118 1HB LYS 15 1HB LYS 15 -9.966 -2.870 6.976 119 2HB LYS 15 2HB LYS 15 -8.615 -2.397 7.997 120 1HG LYS 15 1HG LYS 15 -10.461 -0.560 8.725 121 2HG LYS 15 2HG LYS 15 -11.493 -1.938 8.336 122 1HD LYS 15 1HD LYS 15 -10.691 -3.195 10.055 123 2HD LYS 15 2HD LYS 15 -9.083 -2.474 9.974 124 1HE LYS 15 1HE LYS 15 -9.660 -1.325 11.797 125 2HE LYS 15 2HE LYS 15 -10.689 -0.366 10.734 126 1HZ LYS 15 1HZ LYS 15 -11.783 -2.870 11.767 127 2HZ LYS 15 2HZ LYS 15 -11.627 -1.586 12.858 128 3HZ LYS 15 3HZ LYS 15 -12.557 -1.398 11.459 129 H GLU 16 H GLU 16 -9.312 -1.524 4.074 130 HA GLU 16 HA GLU 16 -6.637 -2.613 3.898 131 1HB GLU 16 1HB GLU 16 -8.462 -3.796 2.786 132 2HB GLU 16 2HB GLU 16 -8.827 -2.367 1.826 133 1HG GLU 16 1HG GLU 16 -7.474 -3.161 0.269 134 2HG GLU 16 2HG GLU 16 -6.128 -2.874 1.370 135 H ILE 17 H ILE 17 -8.427 0.234 2.849 136 HA ILE 17 HA ILE 17 -6.305 1.164 1.130 137 HB ILE 17 HB ILE 17 -8.610 1.816 0.668 138 1HG1 ILE 17 1HG1 ILE 17 -6.592 3.313 0.146 139 2HG1 ILE 17 2HG1 ILE 17 -8.186 4.053 0.077 140 1HG2 ILE 17 1HG2 ILE 17 -9.439 1.889 2.962 141 2HG2 ILE 17 2HG2 ILE 17 -8.492 3.345 3.263 142 3HG2 ILE 17 3HG2 ILE 17 -9.814 3.377 2.094 143 1HD1 ILE 17 1HD1 ILE 17 -7.200 4.376 2.710 144 2HD1 ILE 17 2HD1 ILE 17 -5.925 4.842 1.585 145 3HD1 ILE 17 3HD1 ILE 17 -7.509 5.609 1.488 146 H GLU 18 H GLU 18 -7.338 1.694 4.446 147 HA GLU 18 HA GLU 18 -5.446 3.816 4.905 148 1HB GLU 18 1HB GLU 18 -7.732 3.154 6.145 149 2HB GLU 18 2HB GLU 18 -6.601 2.303 7.187 150 1HG GLU 18 1HG GLU 18 -5.619 4.936 6.702 151 2HG GLU 18 2HG GLU 18 -7.300 5.029 7.224 152 H ARG 19 H ARG 19 -5.650 0.353 5.533 153 HA ARG 19 HA ARG 19 -3.209 0.237 7.020 154 1HB ARG 19 1HB ARG 19 -5.056 -1.434 7.230 155 2HB ARG 19 2HB ARG 19 -4.666 -2.011 5.616 156 1HG ARG 19 1HG ARG 19 -3.536 -3.521 6.910 157 2HG ARG 19 2HG ARG 19 -2.276 -2.322 6.618 158 1HD ARG 19 1HD ARG 19 -3.192 -1.250 8.817 159 2HD ARG 19 2HD ARG 19 -3.845 -2.863 9.102 160 HE ARG 19 HE ARG 19 -1.722 -3.613 9.525 161 1HH1 ARG 19 1HH1 ARG 19 -1.554 -0.493 7.989 162 2HH1 ARG 19 2HH1 ARG 19 0.151 -0.316 8.240 163 1HH2 ARG 19 1HH2 ARG 19 0.524 -3.392 9.862 164 2HH2 ARG 19 2HH2 ARG 19 1.333 -1.965 9.304 165 H LEU 20 H LEU 20 -4.082 0.112 3.662 166 HA LEU 20 HA LEU 20 -1.647 -1.072 2.748 167 1HB LEU 20 1HB LEU 20 -3.967 0.299 1.469 168 2HB LEU 20 2HB LEU 20 -2.484 0.144 0.552 169 HG LEU 20 HG LEU 20 -3.834 -2.232 1.809 170 1HD1 LEU 20 1HD1 LEU 20 -5.339 -0.980 0.216 171 2HD1 LEU 20 2HD1 LEU 20 -4.165 -1.353 -1.047 172 3HD1 LEU 20 3HD1 LEU 20 -4.996 -2.659 -0.203 173 1HD2 LEU 20 1HD2 LEU 20 -1.459 -2.426 1.141 174 2HD2 LEU 20 2HD2 LEU 20 -2.526 -3.490 0.226 175 3HD2 LEU 20 3HD2 LEU 20 -1.919 -2.006 -0.509 176 H GLN 21 H GLN 21 -2.870 2.222 3.122 177 HA GLN 21 HA GLN 21 -0.721 3.569 1.916 178 1HB GLN 21 1HB GLN 21 -2.834 4.679 2.438 179 2HB GLN 21 2HB GLN 21 -2.540 4.468 4.159 180 1HG GLN 21 1HG GLN 21 -0.786 6.026 4.161 181 2HG GLN 21 2HG GLN 21 -0.664 6.013 2.402 182 2HE2 GLN 21 2HE2 GLN 21 -2.506 6.881 1.206 183 1HE2 GLN 21 1HE2 GLN 21 -3.397 8.194 1.889 184 H LYS 22 H LYS 22 -1.288 2.650 5.304 185 HA LYS 22 HA LYS 22 1.088 3.772 6.329 186 1HB LYS 22 1HB LYS 22 -1.055 2.057 7.288 187 2HB LYS 22 2HB LYS 22 0.504 1.581 7.947 188 1HG LYS 22 1HG LYS 22 -0.651 4.358 8.078 189 2HG LYS 22 2HG LYS 22 -0.695 3.172 9.384 190 1HD LYS 22 1HD LYS 22 1.222 4.139 10.043 191 2HD LYS 22 2HD LYS 22 1.954 3.192 8.747 192 1HE LYS 22 1HE LYS 22 2.187 4.998 7.371 193 2HE LYS 22 2HE LYS 22 0.780 5.825 8.041 194 1HZ LYS 22 1HZ LYS 22 2.798 5.563 10.009 195 2HZ LYS 22 2HZ LYS 22 3.436 6.303 8.628 196 3HZ LYS 22 3HZ LYS 22 2.084 6.969 9.396 197 H GLU 23 H GLU 23 0.370 0.697 4.820 198 HA GLU 23 HA GLU 23 2.768 -0.626 5.547 199 1HB GLU 23 1HB GLU 23 0.530 -1.100 3.685 200 2HB GLU 23 2HB GLU 23 2.054 -1.846 3.226 201 1HG GLU 23 1HG GLU 23 1.397 -2.234 6.034 202 2HG GLU 23 2HG GLU 23 0.188 -2.899 4.936 203 H ILE 24 H ILE 24 1.881 1.476 2.874 204 HA ILE 24 HA ILE 24 4.188 0.968 1.305 205 HB ILE 24 HB ILE 24 3.435 2.528 -0.178 206 1HG1 ILE 24 1HG1 ILE 24 2.000 4.564 0.618 207 2HG1 ILE 24 2HG1 ILE 24 2.693 4.208 2.198 208 1HG2 ILE 24 1HG2 ILE 24 1.485 1.034 0.865 209 2HG2 ILE 24 2HG2 ILE 24 0.812 2.635 1.165 210 3HG2 ILE 24 3HG2 ILE 24 1.235 2.151 -0.473 211 1HD1 ILE 24 1HD1 ILE 24 4.788 4.214 0.279 212 2HD1 ILE 24 2HD1 ILE 24 3.824 5.680 0.076 213 3HD1 ILE 24 3HD1 ILE 24 4.532 5.300 1.647 214 H GLU 25 H GLU 25 3.411 3.349 3.788 215 HA GLU 25 HA GLU 25 5.709 4.932 3.591 216 1HB GLU 25 1HB GLU 25 3.511 5.168 5.036 217 2HB GLU 25 2HB GLU 25 4.490 4.379 6.263 218 1HG GLU 25 1HG GLU 25 5.947 6.153 6.437 219 2HG GLU 25 2HG GLU 25 5.562 6.763 4.828 220 H ARG 26 H ARG 26 5.066 2.013 5.498 221 HA ARG 26 HA ARG 26 7.451 1.900 6.927 222 1HB ARG 26 1HB ARG 26 5.238 0.181 6.437 223 2HB ARG 26 2HB ARG 26 6.703 -0.751 6.158 224 1HG ARG 26 1HG ARG 26 5.934 -0.958 8.458 225 2HG ARG 26 2HG ARG 26 7.514 -0.175 8.377 226 1HD ARG 26 1HD ARG 26 6.220 2.029 8.432 227 2HD ARG 26 2HD ARG 26 4.833 1.063 8.930 228 HE ARG 26 HE ARG 26 6.949 0.399 10.606 229 1HH1 ARG 26 1HH1 ARG 26 4.996 3.182 9.852 230 2HH1 ARG 26 2HH1 ARG 26 5.142 3.874 11.433 231 1HH2 ARG 26 1HH2 ARG 26 7.148 1.301 12.691 232 2HH2 ARG 26 2HH2 ARG 26 6.366 2.806 13.047 233 H HIS 27 H HIS 27 6.659 0.490 3.759 234 HA HIS 27 HA HIS 27 9.228 -0.590 3.284 235 1HB HIS 27 1HB HIS 27 6.815 -0.027 1.629 236 2HB HIS 27 2HB HIS 27 8.336 -0.311 0.790 237 HD1 HIS 27 HD1 HIS 27 9.545 -2.666 1.490 238 HD2 HIS 27 HD2 HIS 27 5.488 -2.293 2.311 239 HE1 HIS 27 HE1 HIS 27 8.708 -5.014 1.830 240 HE2 HIS 27 HE2 HIS 27 6.251 -4.765 2.326 241 H LYS 28 H LYS 28 7.936 2.599 3.025 242 HA LYS 28 HA LYS 28 9.851 3.620 1.171 243 1HB LYS 28 1HB LYS 28 7.550 4.597 1.775 244 2HB LYS 28 2HB LYS 28 8.346 5.265 3.193 245 1HG LYS 28 1HG LYS 28 9.986 5.963 1.053 246 2HG LYS 28 2HG LYS 28 8.337 6.213 0.476 247 1HD LYS 28 1HD LYS 28 8.496 8.200 1.509 248 2HD LYS 28 2HD LYS 28 8.213 7.274 2.984 249 1HE LYS 28 1HE LYS 28 10.409 7.369 3.630 250 2HE LYS 28 2HE LYS 28 11.001 7.505 1.975 251 1HZ LYS 28 1HZ LYS 28 9.478 9.772 2.496 252 2HZ LYS 28 2HZ LYS 28 10.492 9.555 3.832 253 3HZ LYS 28 3HZ LYS 28 11.153 9.678 2.281 254 H GLN 29 H GLN 29 9.683 3.268 4.646 255 HA GLN 29 HA GLN 29 11.954 4.935 5.185 256 1HB GLN 29 1HB GLN 29 9.934 4.088 6.727 257 2HB GLN 29 2HB GLN 29 11.122 2.859 7.137 258 1HG GLN 29 1HG GLN 29 11.995 4.268 8.597 259 2HG GLN 29 2HG GLN 29 12.487 5.296 7.252 260 2HE2 GLN 29 2HE2 GLN 29 10.920 5.298 10.103 261 1HE2 GLN 29 1HE2 GLN 29 9.860 6.643 9.868 262 H SER 30 H SER 30 11.395 1.534 4.583 263 HA SER 30 HA SER 30 14.000 0.683 5.416 264 1HB SER 30 1HB SER 30 13.351 -1.466 4.779 265 2HB SER 30 2HB SER 30 11.808 -0.715 5.184 266 HG SER 30 HG SER 30 11.916 -0.148 2.766 267 H ILE 31 H ILE 31 12.522 1.674 2.392 268 HA ILE 31 HA ILE 31 14.706 0.883 0.729 269 HB ILE 31 HB ILE 31 12.482 1.123 -0.204 270 1HG1 ILE 31 1HG1 ILE 31 13.013 2.597 -2.154 271 2HG1 ILE 31 2HG1 ILE 31 14.456 3.136 -1.297 272 1HG2 ILE 31 1HG2 ILE 31 12.755 4.051 0.460 273 2HG2 ILE 31 2HG2 ILE 31 11.452 3.339 -0.491 274 3HG2 ILE 31 3HG2 ILE 31 11.644 2.906 1.206 275 1HD1 ILE 31 1HD1 ILE 31 15.142 0.702 -1.224 276 2HD1 ILE 31 2HD1 ILE 31 13.840 0.411 -2.377 277 3HD1 ILE 31 3HD1 ILE 31 15.168 1.487 -2.803 278 H LYS 32 H LYS 32 13.809 3.826 2.429 279 HA LYS 32 HA LYS 32 15.837 5.434 1.186 280 1HB LYS 32 1HB LYS 32 13.998 5.834 3.535 281 2HB LYS 32 2HB LYS 32 15.260 6.998 3.152 282 1HG LYS 32 1HG LYS 32 13.079 6.147 1.260 283 2HG LYS 32 2HG LYS 32 13.051 7.612 2.244 284 1HD LYS 32 1HD LYS 32 15.357 8.072 1.105 285 2HD LYS 32 2HD LYS 32 14.767 6.934 -0.107 286 1HE LYS 32 1HE LYS 32 12.869 8.300 -0.575 287 2HE LYS 32 2HE LYS 32 13.211 9.346 0.804 288 1HZ LYS 32 1HZ LYS 32 15.488 9.498 -0.632 289 2HZ LYS 32 2HZ LYS 32 14.324 9.385 -1.852 290 3HZ LYS 32 3HZ LYS 32 14.227 10.621 -0.701 291 H LYS 33 H LYS 33 15.550 3.511 4.097 292 HA LYS 33 HA LYS 33 17.965 4.455 5.299 293 1HB LYS 33 1HB LYS 33 16.025 2.254 5.839 294 2HB LYS 33 2HB LYS 33 17.619 2.151 6.572 295 1HG LYS 33 1HG LYS 33 17.295 4.083 7.837 296 2HG LYS 33 2HG LYS 33 15.944 4.620 6.837 297 1HD LYS 33 1HD LYS 33 14.520 3.611 8.214 298 2HD LYS 33 2HD LYS 33 15.298 2.061 7.886 299 1HE LYS 33 1HE LYS 33 16.227 4.055 9.950 300 2HE LYS 33 2HE LYS 33 15.229 2.643 10.295 301 1HZ LYS 33 1HZ LYS 33 17.050 1.268 9.348 302 2HZ LYS 33 2HZ LYS 33 18.009 2.660 9.257 303 3HZ LYS 33 3HZ LYS 33 17.479 2.092 10.762 304 H LEU 34 H LEU 34 17.098 1.893 3.092 305 HA LEU 34 HA LEU 34 19.537 0.436 3.294 306 1HB LEU 34 1HB LEU 34 17.086 0.047 2.073 307 2HB LEU 34 2HB LEU 34 18.175 0.269 0.718 308 HG LEU 34 HG LEU 34 18.179 -2.031 1.013 309 1HD1 LEU 34 1HD1 LEU 34 20.511 -0.636 1.670 310 2HD1 LEU 34 2HD1 LEU 34 20.409 -1.965 2.824 311 3HD1 LEU 34 3HD1 LEU 34 20.379 -2.296 1.093 312 1HD2 LEU 34 1HD2 LEU 34 17.254 -1.449 3.564 313 2HD2 LEU 34 2HD2 LEU 34 17.487 -3.050 2.860 314 3HD2 LEU 34 3HD2 LEU 34 18.768 -2.316 3.827 315 H LYS 35 H LYS 35 18.338 2.961 1.122 316 HA LYS 35 HA LYS 35 20.553 2.971 -0.628 317 1HB LYS 35 1HB LYS 35 18.124 4.228 -0.570 318 2HB LYS 35 2HB LYS 35 19.217 5.557 -0.212 319 1HG LYS 35 1HG LYS 35 18.747 5.367 -2.604 320 2HG LYS 35 2HG LYS 35 20.458 5.126 -2.246 321 1HD LYS 35 1HD LYS 35 20.429 3.058 -3.085 322 2HD LYS 35 2HD LYS 35 18.977 2.635 -2.177 323 1HE LYS 35 1HE LYS 35 18.250 2.433 -4.359 324 2HE LYS 35 2HE LYS 35 17.762 4.081 -3.964 325 1HZ LYS 35 1HZ LYS 35 19.909 4.806 -4.993 326 2HZ LYS 35 2HZ LYS 35 20.106 3.225 -5.562 327 3HZ LYS 35 3HZ LYS 35 18.786 4.150 -6.073 328 H GLN 36 H GLN 36 19.864 4.708 2.364 329 HA GLN 36 HA GLN 36 22.210 6.346 2.219 330 1HB GLN 36 1HB GLN 36 20.300 7.154 3.451 331 2HB GLN 36 2HB GLN 36 20.309 5.733 4.485 332 1HG GLN 36 1HG GLN 36 22.027 6.492 5.757 333 2HG GLN 36 2HG GLN 36 22.764 7.385 4.427 334 2HE2 GLN 36 2HE2 GLN 36 22.951 9.376 5.239 335 1HE2 GLN 36 1HE2 GLN 36 21.644 10.326 5.851 336 H SER 37 H SER 37 21.465 3.184 3.410 337 HA SER 37 HA SER 37 23.782 2.986 5.111 338 1HB SER 37 1HB SER 37 21.483 1.283 4.407 339 2HB SER 37 2HB SER 37 22.980 0.403 4.714 340 HG SER 37 HG SER 37 22.493 0.671 6.735 341 H GLU 38 H GLU 38 23.024 2.393 1.788 342 HA GLU 38 HA GLU 38 25.237 0.639 1.278 343 1HB GLU 38 1HB GLU 38 22.931 1.450 -0.110 344 2HB GLU 38 2HB GLU 38 24.289 2.007 -1.079 345 1HG GLU 38 1HG GLU 38 25.202 -0.250 -1.118 346 2HG GLU 38 2HG GLU 38 23.861 -0.815 -0.121 347 H ASP 39 H ASP 39 24.729 4.062 1.365 348 HA ASP 39 HA ASP 39 26.986 4.792 -0.223 349 1HB ASP 39 1HB ASP 39 24.826 6.151 0.681 350 2HB ASP 39 2HB ASP 39 26.039 6.690 1.839 351 H ASP 40 H ASP 40 26.488 3.978 3.118 352 HA ASP 40 HA ASP 40 27.878 3.869 4.922 353 1HB ASP 40 1HB ASP 40 29.764 3.252 2.649 354 2HB ASP 40 2HB ASP 40 30.253 3.148 4.338 355 H ASP 41 H ASP 41 27.674 6.047 5.552 356 HA ASP 41 HA ASP 41 30.097 7.640 5.063 357 1HB ASP 41 1HB ASP 41 28.478 9.665 5.314 358 2HB ASP 41 2HB ASP 41 28.575 8.832 3.766 359 H1 ALA 1 H1 ALA 1 29.457 -14.592 -0.414 360 H2 ALA 1 H2 ALA 1 29.696 -14.857 1.264 361 H3 ALA 1 H3 ALA 1 28.635 -15.872 0.380 362 HA ALA 1 HA ALA 1 27.103 -14.179 0.065 363 1HB ALA 1 1HB ALA 1 27.754 -13.569 2.872 364 2HB ALA 1 2HB ALA 1 26.267 -14.193 2.158 365 3HB ALA 1 3HB ALA 1 27.620 -15.281 2.469 366 H LEU 2 H LEU 2 28.392 -12.677 -1.322 367 HA LEU 2 HA LEU 2 29.845 -10.522 -0.234 368 1HB LEU 2 1HB LEU 2 28.313 -10.243 -2.785 369 2HB LEU 2 2HB LEU 2 29.914 -9.651 -2.382 370 HG LEU 2 HG LEU 2 30.210 -12.397 -2.261 371 1HD1 LEU 2 1HD1 LEU 2 28.137 -11.658 -4.260 372 2HD1 LEU 2 2HD1 LEU 2 29.334 -12.879 -4.695 373 3HD1 LEU 2 3HD1 LEU 2 28.301 -13.119 -3.286 374 1HD2 LEU 2 1HD2 LEU 2 30.796 -10.381 -4.413 375 2HD2 LEU 2 2HD2 LEU 2 31.884 -11.005 -3.173 376 3HD2 LEU 2 3HD2 LEU 2 31.355 -12.052 -4.490 377 H LYS 3 H LYS 3 29.001 -8.170 -0.908 378 HA LYS 3 HA LYS 3 26.566 -7.798 0.661 379 1HB LYS 3 1HB LYS 3 29.016 -6.354 0.360 380 2HB LYS 3 2HB LYS 3 27.687 -5.304 -0.112 381 1HG LYS 3 1HG LYS 3 28.354 -5.181 2.298 382 2HG LYS 3 2HG LYS 3 26.647 -5.518 2.004 383 1HD LYS 3 1HD LYS 3 26.821 -7.709 2.708 384 2HD LYS 3 2HD LYS 3 28.550 -7.790 2.362 385 1HE LYS 3 1HE LYS 3 28.881 -7.477 4.542 386 2HE LYS 3 2HE LYS 3 28.348 -5.816 4.289 387 1HZ LYS 3 1HZ LYS 3 26.435 -8.002 4.844 388 2HZ LYS 3 2HZ LYS 3 27.187 -7.139 6.089 389 3HZ LYS 3 3HZ LYS 3 26.192 -6.333 4.984 390 H LYS 4 H LYS 4 26.610 -8.727 -2.178 391 HA LYS 4 HA LYS 4 25.540 -6.527 -3.707 392 1HB LYS 4 1HB LYS 4 26.839 -8.266 -4.825 393 2HB LYS 4 2HB LYS 4 25.682 -9.486 -4.313 394 1HG LYS 4 1HG LYS 4 24.564 -7.232 -5.840 395 2HG LYS 4 2HG LYS 4 25.652 -8.304 -6.725 396 1HD LYS 4 1HD LYS 4 23.488 -9.475 -5.033 397 2HD LYS 4 2HD LYS 4 23.086 -8.814 -6.619 398 1HE LYS 4 1HE LYS 4 24.806 -10.275 -7.625 399 2HE LYS 4 2HE LYS 4 25.110 -10.974 -6.034 400 1HZ LYS 4 1HZ LYS 4 22.421 -11.213 -6.335 401 2HZ LYS 4 2HZ LYS 4 22.999 -11.522 -7.895 402 3HZ LYS 4 3HZ LYS 4 23.552 -12.444 -6.590 403 H HIS 5 H HIS 5 24.304 -9.268 -1.903 404 HA HIS 5 HA HIS 5 21.706 -9.418 -2.808 405 1HB HIS 5 1HB HIS 5 21.149 -10.137 -0.437 406 2HB HIS 5 2HB HIS 5 22.440 -11.033 -1.230 407 HD1 HIS 5 HD1 HIS 5 24.202 -11.546 0.414 408 HD2 HIS 5 HD2 HIS 5 22.568 -7.778 1.044 409 HE1 HIS 5 HE1 HIS 5 25.473 -10.577 2.356 410 HE2 HIS 5 HE2 HIS 5 24.468 -8.296 2.720 411 H HIS 6 H HIS 6 23.212 -6.912 -0.960 412 HA HIS 6 HA HIS 6 20.914 -5.753 0.191 413 1HB HIS 6 1HB HIS 6 23.721 -5.033 -0.172 414 2HB HIS 6 2HB HIS 6 22.646 -3.640 -0.247 415 HD1 HIS 6 HD1 HIS 6 21.527 -6.361 1.972 416 HD2 HIS 6 HD2 HIS 6 23.782 -2.884 2.279 417 HE1 HIS 6 HE1 HIS 6 21.696 -5.884 4.436 418 HE2 HIS 6 HE2 HIS 6 23.065 -3.776 4.599 419 H GLU 7 H GLU 7 22.635 -5.053 -2.841 420 HA GLU 7 HA GLU 7 21.050 -2.931 -3.707 421 1HB GLU 7 1HB GLU 7 23.245 -3.993 -4.691 422 2HB GLU 7 2HB GLU 7 22.119 -4.923 -5.671 423 1HG GLU 7 1HG GLU 7 21.094 -2.579 -6.192 424 2HG GLU 7 2HG GLU 7 22.682 -2.000 -5.687 425 H ASN 8 H ASN 8 20.402 -6.326 -3.607 426 HA ASN 8 HA ASN 8 18.292 -6.335 -5.531 427 1HB ASN 8 1HB ASN 8 19.254 -8.248 -3.430 428 2HB ASN 8 2HB ASN 8 17.691 -8.515 -4.198 429 2HD2 ASN 8 2HD2 ASN 8 18.553 -10.466 -5.039 430 1HD2 ASN 8 1HD2 ASN 8 19.576 -10.449 -6.432 431 H GLU 9 H GLU 9 18.269 -6.578 -1.970 432 HA GLU 9 HA GLU 9 15.513 -6.292 -1.641 433 1HB GLU 9 1HB GLU 9 17.840 -6.334 0.039 434 2HB GLU 9 2HB GLU 9 16.776 -5.035 0.560 435 1HG GLU 9 1HG GLU 9 14.911 -6.734 0.561 436 2HG GLU 9 2HG GLU 9 16.156 -7.965 0.355 437 H ILE 10 H ILE 10 17.924 -3.986 -2.486 438 HA ILE 10 HA ILE 10 16.572 -1.652 -1.603 439 HB ILE 10 HB ILE 10 19.089 -2.251 -2.697 440 1HG1 ILE 10 1HG1 ILE 10 18.685 0.586 -2.386 441 2HG1 ILE 10 2HG1 ILE 10 17.871 -0.305 -1.105 442 1HG2 ILE 10 1HG2 ILE 10 17.608 -0.377 -4.522 443 2HG2 ILE 10 2HG2 ILE 10 19.363 -0.368 -4.360 444 3HG2 ILE 10 3HG2 ILE 10 18.540 -1.811 -4.945 445 1HD1 ILE 10 1HD1 ILE 10 20.253 -1.567 -1.145 446 2HD1 ILE 10 2HD1 ILE 10 20.732 0.060 -1.631 447 3HD1 ILE 10 3HD1 ILE 10 19.874 -0.190 -0.111 448 H SER 11 H SER 11 16.915 -3.162 -4.813 449 HA SER 11 HA SER 11 15.187 -1.374 -6.143 450 1HB SER 11 1HB SER 11 15.383 -2.790 -8.010 451 2HB SER 11 2HB SER 11 16.896 -3.032 -7.139 452 HG SER 11 HG SER 11 16.149 -5.043 -7.598 453 H HIS 12 H HIS 12 14.567 -4.077 -4.090 454 HA HIS 12 HA HIS 12 11.910 -4.533 -5.096 455 1HB HIS 12 1HB HIS 12 12.360 -6.523 -4.172 456 2HB HIS 12 2HB HIS 12 13.758 -5.875 -3.333 457 HD1 HIS 12 HD1 HIS 12 9.990 -6.105 -2.822 458 HD2 HIS 12 HD2 HIS 12 13.524 -5.932 -0.649 459 HE1 HIS 12 HE1 HIS 12 9.314 -6.416 -0.419 460 HE2 HIS 12 HE2 HIS 12 11.471 -6.310 0.882 461 H HIS 13 H HIS 13 13.359 -2.845 -2.333 462 HA HIS 13 HA HIS 13 10.861 -2.202 -1.116 463 1HB HIS 13 1HB HIS 13 13.441 -0.666 -0.813 464 2HB HIS 13 2HB HIS 13 12.087 -0.709 0.304 465 HD1 HIS 13 HD1 HIS 13 11.865 -3.921 0.190 466 HD2 HIS 13 HD2 HIS 13 15.231 -1.640 1.021 467 HE1 HIS 13 HE1 HIS 13 13.373 -5.418 1.540 468 HE2 HIS 13 HE2 HIS 13 15.409 -4.017 2.031 469 H ALA 14 H ALA 14 12.704 -0.880 -3.725 470 HA ALA 14 HA ALA 14 11.508 1.723 -3.685 471 1HB ALA 14 1HB ALA 14 13.573 0.392 -5.156 472 2HB ALA 14 2HB ALA 14 13.244 2.119 -5.017 473 3HB ALA 14 3HB ALA 14 12.458 1.170 -6.279 474 H LYS 15 H LYS 15 11.119 -1.154 -5.747 475 HA LYS 15 HA LYS 15 8.849 -0.059 -7.108 476 1HB LYS 15 1HB LYS 15 9.961 -2.868 -6.981 477 2HB LYS 15 2HB LYS 15 8.610 -2.393 -8.002 478 1HG LYS 15 1HG LYS 15 10.458 -0.555 -8.725 479 2HG LYS 15 2HG LYS 15 11.489 -1.934 -8.337 480 1HD LYS 15 1HD LYS 15 10.689 -3.189 -10.059 481 2HD LYS 15 2HD LYS 15 9.080 -2.469 -9.980 482 1HE LYS 15 1HE LYS 15 9.658 -1.316 -11.800 483 2HE LYS 15 2HE LYS 15 10.687 -0.360 -10.735 484 1HZ LYS 15 1HZ LYS 15 11.782 -2.861 -11.771 485 2HZ LYS 15 2HZ LYS 15 11.625 -1.576 -12.861 486 3HZ LYS 15 3HZ LYS 15 12.555 -1.389 -11.461 487 H GLU 16 H GLU 16 9.310 -1.511 -4.072 488 HA GLU 16 HA GLU 16 6.637 -2.611 -3.893 489 1HB GLU 16 1HB GLU 16 8.470 -3.786 -2.785 490 2HB GLU 16 2HB GLU 16 8.826 -2.359 -1.822 491 1HG GLU 16 1HG GLU 16 7.476 -3.164 -0.269 492 2HG GLU 16 2HG GLU 16 6.129 -2.877 -1.369 493 H ILE 17 H ILE 17 8.424 0.239 -2.847 494 HA ILE 17 HA ILE 17 6.300 1.166 -1.128 495 HB ILE 17 HB ILE 17 8.605 1.819 -0.663 496 1HG1 ILE 17 1HG1 ILE 17 6.587 3.315 -0.141 497 2HG1 ILE 17 2HG1 ILE 17 8.181 4.055 -0.070 498 1HG2 ILE 17 1HG2 ILE 17 9.436 1.892 -2.956 499 2HG2 ILE 17 2HG2 ILE 17 8.492 3.352 -3.255 500 3HG2 ILE 17 3HG2 ILE 17 9.812 3.379 -2.086 501 1HD1 ILE 17 1HD1 ILE 17 7.198 4.381 -2.704 502 2HD1 ILE 17 2HD1 ILE 17 5.922 4.846 -1.580 503 3HD1 ILE 17 3HD1 ILE 17 7.507 5.612 -1.481 504 H GLU 18 H GLU 18 7.334 1.692 -4.443 505 HA GLU 18 HA GLU 18 5.443 3.816 -4.903 506 1HB GLU 18 1HB GLU 18 7.732 3.156 -6.141 507 2HB GLU 18 2HB GLU 18 6.602 2.306 -7.186 508 1HG GLU 18 1HG GLU 18 5.620 4.938 -6.697 509 2HG GLU 18 2HG GLU 18 7.301 5.031 -7.220 510 H ARG 19 H ARG 19 5.653 0.354 -5.537 511 HA ARG 19 HA ARG 19 3.213 0.237 -7.024 512 1HB ARG 19 1HB ARG 19 5.058 -1.435 -7.234 513 2HB ARG 19 2HB ARG 19 4.667 -2.011 -5.620 514 1HG ARG 19 1HG ARG 19 3.539 -3.521 -6.918 515 2HG ARG 19 2HG ARG 19 2.277 -2.324 -6.622 516 1HD ARG 19 1HD ARG 19 3.191 -1.248 -8.819 517 2HD ARG 19 2HD ARG 19 3.844 -2.859 -9.107 518 HE ARG 19 HE ARG 19 1.719 -3.610 -9.528 519 1HH1 ARG 19 1HH1 ARG 19 1.555 -0.490 -7.990 520 2HH1 ARG 19 2HH1 ARG 19 -0.151 -0.312 -8.240 521 1HH2 ARG 19 1HH2 ARG 19 -0.526 -3.387 -9.862 522 2HH2 ARG 19 2HH2 ARG 19 -1.334 -1.961 -9.304 523 H LEU 20 H LEU 20 4.082 0.102 -3.662 524 HA LEU 20 HA LEU 20 1.644 -1.078 -2.758 525 1HB LEU 20 1HB LEU 20 3.955 0.300 -1.468 526 2HB LEU 20 2HB LEU 20 2.469 0.138 -0.557 527 HG LEU 20 HG LEU 20 3.833 -2.233 -1.810 528 1HD1 LEU 20 1HD1 LEU 20 5.325 -0.971 -0.209 529 2HD1 LEU 20 2HD1 LEU 20 4.149 -1.359 1.049 530 3HD1 LEU 20 3HD1 LEU 20 4.994 -2.655 0.201 531 1HD2 LEU 20 1HD2 LEU 20 1.454 -2.432 -1.149 532 2HD2 LEU 20 2HD2 LEU 20 2.523 -3.496 -0.235 533 3HD2 LEU 20 3HD2 LEU 20 1.911 -2.016 0.503 534 H GLN 21 H GLN 21 2.871 2.217 -3.114 535 HA GLN 21 HA GLN 21 0.722 3.565 -1.921 536 1HB GLN 21 1HB GLN 21 2.838 4.669 -2.450 537 2HB GLN 21 2HB GLN 21 2.535 4.463 -4.170 538 1HG GLN 21 1HG GLN 21 0.785 6.026 -4.161 539 2HG GLN 21 2HG GLN 21 0.668 6.005 -2.402 540 2HE2 GLN 21 2HE2 GLN 21 2.502 6.875 -1.204 541 1HE2 GLN 21 1HE2 GLN 21 3.398 8.186 -1.885 542 H LYS 22 H LYS 22 1.285 2.644 -5.310 543 HA LYS 22 HA LYS 22 -1.091 3.768 -6.331 544 1HB LYS 22 1HB LYS 22 1.048 2.052 -7.294 545 2HB LYS 22 2HB LYS 22 -0.511 1.581 -7.955 546 1HG LYS 22 1HG LYS 22 0.648 4.357 -8.077 547 2HG LYS 22 2HG LYS 22 0.691 3.175 -9.386 548 1HD LYS 22 1HD LYS 22 -1.224 4.145 -10.043 549 2HD LYS 22 2HD LYS 22 -1.959 3.197 -8.748 550 1HE LYS 22 1HE LYS 22 -2.186 5.001 -7.369 551 2HE LYS 22 2HE LYS 22 -0.780 5.827 -8.039 552 1HZ LYS 22 1HZ LYS 22 -2.801 5.571 -10.004 553 2HZ LYS 22 2HZ LYS 22 -3.437 6.308 -8.621 554 3HZ LYS 22 3HZ LYS 22 -2.085 6.975 -9.390 555 H GLU 23 H GLU 23 -0.375 0.694 -4.821 556 HA GLU 23 HA GLU 23 -2.776 -0.628 -5.549 557 1HB GLU 23 1HB GLU 23 -0.533 -1.108 -3.694 558 2HB GLU 23 2HB GLU 23 -2.056 -1.855 -3.234 559 1HG GLU 23 1HG GLU 23 -1.408 -2.236 -6.043 560 2HG GLU 23 2HG GLU 23 -0.194 -2.901 -4.952 561 H ILE 24 H ILE 24 -1.882 1.478 -2.883 562 HA ILE 24 HA ILE 24 -4.183 0.964 -1.304 563 HB ILE 24 HB ILE 24 -3.420 2.518 0.180 564 1HG1 ILE 24 1HG1 ILE 24 -1.991 4.557 -0.615 565 2HG1 ILE 24 2HG1 ILE 24 -2.687 4.207 -2.194 566 1HG2 ILE 24 1HG2 ILE 24 -1.483 1.018 -0.837 567 2HG2 ILE 24 2HG2 ILE 24 -0.810 2.602 -1.208 568 3HG2 ILE 24 3HG2 ILE 24 -1.199 2.181 0.457 569 1HD1 ILE 24 1HD1 ILE 24 -4.777 4.206 -0.268 570 2HD1 ILE 24 2HD1 ILE 24 -3.814 5.671 -0.067 571 3HD1 ILE 24 3HD1 ILE 24 -4.526 5.293 -1.636 572 H GLU 25 H GLU 25 -3.409 3.349 -3.783 573 HA GLU 25 HA GLU 25 -5.706 4.934 -3.579 574 1HB GLU 25 1HB GLU 25 -3.510 5.176 -5.025 575 2HB GLU 25 2HB GLU 25 -4.488 4.384 -6.253 576 1HG GLU 25 1HG GLU 25 -5.950 6.156 -6.425 577 2HG GLU 25 2HG GLU 25 -5.563 6.766 -4.818 578 H ARG 26 H ARG 26 -5.065 2.019 -5.493 579 HA ARG 26 HA ARG 26 -7.450 1.909 -6.921 580 1HB ARG 26 1HB ARG 26 -5.237 0.191 -6.437 581 2HB ARG 26 2HB ARG 26 -6.701 -0.743 -6.155 582 1HG ARG 26 1HG ARG 26 -5.942 -0.949 -8.458 583 2HG ARG 26 2HG ARG 26 -7.519 -0.162 -8.373 584 1HD ARG 26 1HD ARG 26 -6.220 2.039 -8.431 585 2HD ARG 26 2HD ARG 26 -4.834 1.069 -8.928 586 HE ARG 26 HE ARG 26 -6.951 0.408 -10.604 587 1HH1 ARG 26 1HH1 ARG 26 -4.998 3.191 -9.851 588 2HH1 ARG 26 2HH1 ARG 26 -5.144 3.883 -11.432 589 1HH2 ARG 26 1HH2 ARG 26 -7.150 1.310 -12.690 590 2HH2 ARG 26 2HH2 ARG 26 -6.368 2.813 -13.046 591 H HIS 27 H HIS 27 -6.659 0.494 -3.755 592 HA HIS 27 HA HIS 27 -9.228 -0.587 -3.284 593 1HB HIS 27 1HB HIS 27 -6.817 -0.024 -1.625 594 2HB HIS 27 2HB HIS 27 -8.339 -0.310 -0.788 595 HD1 HIS 27 HD1 HIS 27 -9.545 -2.665 -1.485 596 HD2 HIS 27 HD2 HIS 27 -5.491 -2.289 -2.315 597 HE1 HIS 27 HE1 HIS 27 -8.709 -5.011 -1.827 598 HE2 HIS 27 HE2 HIS 27 -6.253 -4.761 -2.330 599 H LYS 28 H LYS 28 -7.933 2.602 -3.014 600 HA LYS 28 HA LYS 28 -9.851 3.623 -1.165 601 1HB LYS 28 1HB LYS 28 -7.550 4.600 -1.768 602 2HB LYS 28 2HB LYS 28 -8.345 5.268 -3.187 603 1HG LYS 28 1HG LYS 28 -9.985 5.966 -1.046 604 2HG LYS 28 2HG LYS 28 -8.335 6.216 -0.470 605 1HD LYS 28 1HD LYS 28 -8.495 8.202 -1.504 606 2HD LYS 28 2HD LYS 28 -8.213 7.276 -2.979 607 1HE LYS 28 1HE LYS 28 -10.409 7.370 -3.622 608 2HE LYS 28 2HE LYS 28 -11.001 7.506 -1.967 609 1HZ LYS 28 1HZ LYS 28 -9.480 9.775 -2.488 610 2HZ LYS 28 2HZ LYS 28 -10.493 9.558 -3.825 611 3HZ LYS 28 3HZ LYS 28 -11.154 9.679 -2.273 612 H GLN 29 H GLN 29 -9.681 3.277 -4.640 613 HA GLN 29 HA GLN 29 -11.955 4.943 -5.178 614 1HB GLN 29 1HB GLN 29 -9.933 4.100 -6.720 615 2HB GLN 29 2HB GLN 29 -11.119 2.870 -7.132 616 1HG GLN 29 1HG GLN 29 -11.996 4.277 -8.590 617 2HG GLN 29 2HG GLN 29 -12.486 5.306 -7.246 618 2HE2 GLN 29 2HE2 GLN 29 -10.921 5.305 -10.097 619 1HE2 GLN 29 1HE2 GLN 29 -9.862 6.651 -9.866 620 H SER 30 H SER 30 -11.391 1.544 -4.576 621 HA SER 30 HA SER 30 -13.992 0.686 -5.412 622 1HB SER 30 1HB SER 30 -13.381 -1.465 -4.419 623 2HB SER 30 2HB SER 30 -12.048 -0.842 -5.390 624 HG SER 30 HG SER 30 -12.228 -0.432 -2.595 625 H ILE 31 H ILE 31 -12.521 1.678 -2.386 626 HA ILE 31 HA ILE 31 -14.706 0.884 -0.725 627 HB ILE 31 HB ILE 31 -12.484 1.124 0.210 628 1HG1 ILE 31 1HG1 ILE 31 -13.016 2.596 2.160 629 2HG1 ILE 31 2HG1 ILE 31 -14.458 3.136 1.302 630 1HG2 ILE 31 1HG2 ILE 31 -12.755 4.052 -0.453 631 2HG2 ILE 31 2HG2 ILE 31 -11.453 3.338 0.499 632 3HG2 ILE 31 3HG2 ILE 31 -11.643 2.907 -1.199 633 1HD1 ILE 31 1HD1 ILE 31 -15.146 0.704 1.225 634 2HD1 ILE 31 2HD1 ILE 31 -13.845 0.410 2.378 635 3HD1 ILE 31 3HD1 ILE 31 -15.172 1.486 2.806 636 H LYS 32 H LYS 32 -13.810 3.827 -2.426 637 HA LYS 32 HA LYS 32 -15.837 5.436 -1.183 638 1HB LYS 32 1HB LYS 32 -14.000 5.832 -3.535 639 2HB LYS 32 2HB LYS 32 -15.261 6.997 -3.153 640 1HG LYS 32 1HG LYS 32 -13.077 6.150 -1.263 641 2HG LYS 32 2HG LYS 32 -13.056 7.614 -2.246 642 1HD LYS 32 1HD LYS 32 -15.357 8.073 -1.103 643 2HD LYS 32 2HD LYS 32 -14.768 6.930 0.105 644 1HE LYS 32 1HE LYS 32 -12.871 8.293 0.578 645 2HE LYS 32 2HE LYS 32 -13.210 9.343 -0.797 646 1HZ LYS 32 1HZ LYS 32 -15.489 9.493 0.636 647 2HZ LYS 32 2HZ LYS 32 -14.324 9.378 1.857 648 3HZ LYS 32 3HZ LYS 32 -14.227 10.616 0.708 649 H LYS 33 H LYS 33 -15.551 3.513 -4.096 650 HA LYS 33 HA LYS 33 -17.969 4.456 -5.294 651 1HB LYS 33 1HB LYS 33 -16.030 2.253 -5.836 652 2HB LYS 33 2HB LYS 33 -17.625 2.154 -6.568 653 1HG LYS 33 1HG LYS 33 -17.297 4.083 -7.835 654 2HG LYS 33 2HG LYS 33 -15.947 4.620 -6.833 655 1HD LYS 33 1HD LYS 33 -14.522 3.611 -8.207 656 2HD LYS 33 2HD LYS 33 -15.301 2.061 -7.882 657 1HE LYS 33 1HE LYS 33 -16.226 4.057 -9.946 658 2HE LYS 33 2HE LYS 33 -15.229 2.644 -10.292 659 1HZ LYS 33 1HZ LYS 33 -17.053 1.271 -9.347 660 2HZ LYS 33 2HZ LYS 33 -18.010 2.662 -9.256 661 3HZ LYS 33 3HZ LYS 33 -17.481 2.097 -10.760 662 H LEU 34 H LEU 34 -17.097 1.893 -3.088 663 HA LEU 34 HA LEU 34 -19.534 0.436 -3.286 664 1HB LEU 34 1HB LEU 34 -17.082 0.049 -2.065 665 2HB LEU 34 2HB LEU 34 -18.171 0.269 -0.712 666 HG LEU 34 HG LEU 34 -18.172 -2.031 -1.007 667 1HD1 LEU 34 1HD1 LEU 34 -20.506 -0.640 -1.665 668 2HD1 LEU 34 2HD1 LEU 34 -20.401 -1.967 -2.820 669 3HD1 LEU 34 3HD1 LEU 34 -20.371 -2.301 -1.089 670 1HD2 LEU 34 1HD2 LEU 34 -17.246 -1.447 -3.557 671 2HD2 LEU 34 2HD2 LEU 34 -17.479 -3.048 -2.855 672 3HD2 LEU 34 3HD2 LEU 34 -18.758 -2.314 -3.822 673 H LYS 35 H LYS 35 -18.338 2.964 -1.116 674 HA LYS 35 HA LYS 35 -20.553 2.970 0.634 675 1HB LYS 35 1HB LYS 35 -18.124 4.226 0.579 676 2HB LYS 35 2HB LYS 35 -19.216 5.557 0.222 677 1HG LYS 35 1HG LYS 35 -18.749 5.364 2.613 678 2HG LYS 35 2HG LYS 35 -20.459 5.122 2.255 679 1HD LYS 35 1HD LYS 35 -20.429 3.053 3.093 680 2HD LYS 35 2HD LYS 35 -18.977 2.632 2.184 681 1HE LYS 35 1HE LYS 35 -18.251 2.429 4.366 682 2HE LYS 35 2HE LYS 35 -17.762 4.075 3.971 683 1HZ LYS 35 1HZ LYS 35 -19.909 4.802 5.001 684 2HZ LYS 35 2HZ LYS 35 -20.106 3.220 5.570 685 3HZ LYS 35 3HZ LYS 35 -18.784 4.145 6.082 686 H GLN 36 H GLN 36 -19.865 4.705 -2.359 687 HA GLN 36 HA GLN 36 -22.210 6.346 -2.210 688 1HB GLN 36 1HB GLN 36 -20.300 7.153 -3.444 689 2HB GLN 36 2HB GLN 36 -20.311 5.732 -4.479 690 1HG GLN 36 1HG GLN 36 -22.029 6.494 -5.748 691 2HG GLN 36 2HG GLN 36 -22.765 7.386 -4.418 692 2HE2 GLN 36 2HE2 GLN 36 -22.953 9.377 -5.229 693 1HE2 GLN 36 1HE2 GLN 36 -21.647 10.327 -5.841 694 H SER 37 H SER 37 -21.466 3.185 -3.407 695 HA SER 37 HA SER 37 -23.783 2.988 -5.105 696 1HB SER 37 1HB SER 37 -21.485 1.284 -4.403 697 2HB SER 37 2HB SER 37 -22.982 0.405 -4.710 698 HG SER 37 HG SER 37 -22.493 0.673 -6.731 699 H GLU 38 H GLU 38 -23.022 2.388 -1.784 700 HA GLU 38 HA GLU 38 -25.236 0.637 -1.274 701 1HB GLU 38 1HB GLU 38 -22.930 1.449 0.114 702 2HB GLU 38 2HB GLU 38 -24.288 2.005 1.083 703 1HG GLU 38 1HG GLU 38 -25.200 -0.252 1.122 704 2HG GLU 38 2HG GLU 38 -23.860 -0.816 0.125 705 H ASP 39 H ASP 39 -24.729 4.061 -1.356 706 HA ASP 39 HA ASP 39 -26.987 4.787 0.231 707 1HB ASP 39 1HB ASP 39 -24.827 6.150 -0.672 708 2HB ASP 39 2HB ASP 39 -26.041 6.688 -1.829 709 H ASP 40 H ASP 40 -26.488 3.977 -3.112 710 HA ASP 40 HA ASP 40 -27.877 3.870 -4.916 711 1HB ASP 40 1HB ASP 40 -29.763 3.249 -2.644 712 2HB ASP 40 2HB ASP 40 -30.253 3.147 -4.332 713 H ASP 41 H ASP 41 -27.674 6.049 -5.544 714 HA ASP 41 HA ASP 41 -30.098 7.640 -5.054 715 1HB ASP 41 1HB ASP 41 -28.479 9.665 -5.304 716 2HB ASP 41 2HB ASP 41 -28.576 8.831 -3.756 No H/Q in entry = 716 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -31.414 -5.491 8.892 2 H2 ALA 1 H2 ALA 1 -31.486 -4.533 10.314 3 H3 ALA 1 H3 ALA 1 -32.671 -4.342 9.087 4 HA ALA 1 HA ALA 1 -31.148 -2.564 8.997 5 1HB ALA 1 1HB ALA 1 -29.098 -2.998 9.770 6 2HB ALA 1 2HB ALA 1 -29.233 -4.720 9.419 7 3HB ALA 1 3HB ALA 1 -28.752 -3.597 8.148 8 H LEU 2 H LEU 2 -30.913 -1.578 7.032 9 HA LEU 2 HA LEU 2 -31.605 -3.215 4.705 10 1HB LEU 2 1HB LEU 2 -32.584 -0.814 5.584 11 2HB LEU 2 2HB LEU 2 -31.434 -0.305 4.362 12 HG LEU 2 HG LEU 2 -32.585 -1.856 2.751 13 1HD1 LEU 2 1HD1 LEU 2 -34.020 -2.532 5.162 14 2HD1 LEU 2 2HD1 LEU 2 -35.118 -2.014 3.885 15 3HD1 LEU 2 3HD1 LEU 2 -33.998 -3.346 3.598 16 1HD2 LEU 2 1HD2 LEU 2 -33.036 0.690 3.202 17 2HD2 LEU 2 2HD2 LEU 2 -34.072 -0.231 2.112 18 3HD2 LEU 2 3HD2 LEU 2 -34.597 0.093 3.763 19 H LYS 3 H LYS 3 -30.340 -3.372 2.908 20 HA LYS 3 HA LYS 3 -28.413 -3.455 1.700 21 1HB LYS 3 1HB LYS 3 -28.397 -0.612 2.687 22 2HB LYS 3 2HB LYS 3 -27.132 -1.227 1.632 23 1HG LYS 3 1HG LYS 3 -28.467 -0.496 -0.006 24 2HG LYS 3 2HG LYS 3 -29.344 -2.001 0.278 25 1HD LYS 3 1HD LYS 3 -31.021 -0.943 1.485 26 2HD LYS 3 2HD LYS 3 -30.011 0.458 1.849 27 1HE LYS 3 1HE LYS 3 -30.049 0.888 -0.681 28 2HE LYS 3 2HE LYS 3 -31.398 -0.247 -0.717 29 1HZ LYS 3 1HZ LYS 3 -31.387 2.080 1.106 30 2HZ LYS 3 2HZ LYS 3 -31.935 2.213 -0.490 31 3HZ LYS 3 3HZ LYS 3 -32.704 1.157 0.585 32 H LYS 4 H LYS 4 -28.313 -4.374 4.446 33 HA LYS 4 HA LYS 4 -25.990 -3.547 5.784 34 1HB LYS 4 1HB LYS 4 -28.017 -5.378 6.251 35 2HB LYS 4 2HB LYS 4 -26.585 -6.386 6.104 36 1HG LYS 4 1HG LYS 4 -26.131 -4.049 7.768 37 2HG LYS 4 2HG LYS 4 -27.434 -5.076 8.370 38 1HD LYS 4 1HD LYS 4 -26.007 -6.970 8.480 39 2HD LYS 4 2HD LYS 4 -24.737 -6.149 7.569 40 1HE LYS 4 1HE LYS 4 -25.175 -4.479 9.722 41 2HE LYS 4 2HE LYS 4 -25.329 -6.093 10.417 42 1HZ LYS 4 1HZ LYS 4 -23.166 -6.647 9.438 43 2HZ LYS 4 2HZ LYS 4 -23.017 -5.062 8.865 44 3HZ LYS 4 3HZ LYS 4 -23.055 -5.360 10.530 45 H HIS 5 H HIS 5 -26.507 -5.946 3.260 46 HA HIS 5 HA HIS 5 -24.051 -7.247 3.331 47 1HB HIS 5 1HB HIS 5 -24.491 -7.507 0.779 48 2HB HIS 5 2HB HIS 5 -25.618 -8.235 1.920 49 HD1 HIS 5 HD1 HIS 5 -28.010 -7.393 1.901 50 HD2 HIS 5 HD2 HIS 5 -25.481 -5.178 -0.543 51 HE1 HIS 5 HE1 HIS 5 -29.517 -5.895 0.557 52 HE2 HIS 5 HE2 HIS 5 -27.966 -4.562 -0.916 53 H HIS 6 H HIS 6 -24.993 -4.324 1.547 54 HA HIS 6 HA HIS 6 -22.552 -3.901 0.240 55 1HB HIS 6 1HB HIS 6 -25.026 -2.516 0.544 56 2HB HIS 6 2HB HIS 6 -23.722 -1.376 0.865 57 HD1 HIS 6 HD1 HIS 6 -23.360 -4.142 -1.649 58 HD2 HIS 6 HD2 HIS 6 -24.003 -0.037 -1.552 59 HE1 HIS 6 HE1 HIS 6 -23.084 -3.361 -4.023 60 HE2 HIS 6 HE2 HIS 6 -23.477 -0.874 -3.941 61 H GLU 7 H GLU 7 -23.747 -2.651 3.345 62 HA GLU 7 HA GLU 7 -21.560 -1.050 3.990 63 1HB GLU 7 1HB GLU 7 -23.825 -1.268 5.185 64 2HB GLU 7 2HB GLU 7 -23.105 -2.626 6.038 65 1HG GLU 7 1HG GLU 7 -21.335 -1.140 6.870 66 2HG GLU 7 2HG GLU 7 -22.116 0.216 6.057 67 H ASN 8 H ASN 8 -21.916 -4.488 4.009 68 HA ASN 8 HA ASN 8 -19.758 -5.069 5.781 69 1HB ASN 8 1HB ASN 8 -21.705 -6.550 4.283 70 2HB ASN 8 2HB ASN 8 -20.107 -7.219 3.962 71 2HD2 ASN 8 2HD2 ASN 8 -21.346 -9.021 5.094 72 1HD2 ASN 8 1HD2 ASN 8 -21.143 -9.117 6.807 73 H GLU 9 H GLU 9 -20.060 -5.371 2.237 74 HA GLU 9 HA GLU 9 -17.362 -5.889 1.727 75 1HB GLU 9 1HB GLU 9 -19.530 -5.891 0.185 76 2HB GLU 9 2HB GLU 9 -18.932 -4.295 -0.243 77 1HG GLU 9 1HG GLU 9 -18.013 -5.685 -1.854 78 2HG GLU 9 2HG GLU 9 -16.701 -5.460 -0.698 79 H ILE 10 H ILE 10 -18.968 -2.972 2.592 80 HA ILE 10 HA ILE 10 -17.046 -1.164 1.520 81 HB ILE 10 HB ILE 10 -19.591 -0.974 2.740 82 1HG1 ILE 10 1HG1 ILE 10 -18.431 1.595 2.098 83 2HG1 ILE 10 2HG1 ILE 10 -18.018 0.387 0.884 84 1HG2 ILE 10 1HG2 ILE 10 -17.536 0.582 4.286 85 2HG2 ILE 10 2HG2 ILE 10 -19.233 1.056 4.201 86 3HG2 ILE 10 3HG2 ILE 10 -18.788 -0.500 4.901 87 1HD1 ILE 10 1HD1 ILE 10 -20.674 -0.081 1.260 88 2HD1 ILE 10 2HD1 ILE 10 -20.571 1.668 1.471 89 3HD1 ILE 10 3HD1 ILE 10 -19.984 0.924 -0.016 90 H SER 11 H SER 11 -17.678 -2.412 4.794 91 HA SER 11 HA SER 11 -15.533 -1.104 6.051 92 1HB SER 11 1HB SER 11 -16.713 -3.765 6.869 93 2HB SER 11 2HB SER 11 -15.907 -2.587 7.905 94 HG SER 11 HG SER 11 -17.985 -2.128 8.224 95 H HIS 12 H HIS 12 -15.702 -4.027 4.161 96 HA HIS 12 HA HIS 12 -13.198 -5.084 5.001 97 1HB HIS 12 1HB HIS 12 -14.161 -6.854 4.019 98 2HB HIS 12 2HB HIS 12 -15.345 -5.836 3.219 99 HD1 HIS 12 HD1 HIS 12 -11.833 -7.168 2.665 100 HD2 HIS 12 HD2 HIS 12 -15.074 -5.697 0.525 101 HE1 HIS 12 HE1 HIS 12 -11.251 -7.518 0.243 102 HE2 HIS 12 HE2 HIS 12 -13.229 -6.624 -1.037 103 H HIS 13 H HIS 13 -14.221 -3.155 2.179 104 HA HIS 13 HA HIS 13 -11.669 -3.033 0.977 105 1HB HIS 13 1HB HIS 13 -13.850 -0.947 0.814 106 2HB HIS 13 2HB HIS 13 -12.516 -1.162 -0.311 107 HD1 HIS 13 HD1 HIS 13 -12.903 -4.351 -0.444 108 HD2 HIS 13 HD2 HIS 13 -15.777 -1.427 -1.086 109 HE1 HIS 13 HE1 HIS 13 -14.654 -5.441 -1.886 110 HE2 HIS 13 HE2 HIS 13 -16.391 -3.653 -2.261 111 H ALA 14 H ALA 14 -13.115 -1.344 3.637 112 HA ALA 14 HA ALA 14 -11.410 0.910 3.690 113 1HB ALA 14 1HB ALA 14 -12.105 1.001 6.133 114 2HB ALA 14 2HB ALA 14 -13.404 1.061 4.941 115 3HB ALA 14 3HB ALA 14 -13.068 -0.440 5.805 116 H LYS 15 H LYS 15 -11.321 -2.158 5.498 117 HA LYS 15 HA LYS 15 -8.854 -1.623 6.777 118 1HB LYS 15 1HB LYS 15 -10.785 -3.673 6.819 119 2HB LYS 15 2HB LYS 15 -9.273 -4.446 6.363 120 1HG LYS 15 1HG LYS 15 -8.211 -3.795 8.350 121 2HG LYS 15 2HG LYS 15 -9.468 -2.616 8.730 122 1HD LYS 15 1HD LYS 15 -10.246 -4.240 10.082 123 2HD LYS 15 2HD LYS 15 -10.928 -4.896 8.593 124 1HE LYS 15 1HE LYS 15 -8.494 -5.982 8.449 125 2HE LYS 15 2HE LYS 15 -8.619 -5.823 10.202 126 1HZ LYS 15 1HZ LYS 15 -10.873 -6.999 8.744 127 2HZ LYS 15 2HZ LYS 15 -9.489 -7.944 8.976 128 3HZ LYS 15 3HZ LYS 15 -10.319 -7.317 10.311 129 H GLU 16 H GLU 16 -9.672 -2.634 3.591 130 HA GLU 16 HA GLU 16 -7.205 -3.927 2.967 131 1HB GLU 16 1HB GLU 16 -9.405 -2.804 1.231 132 2HB GLU 16 2HB GLU 16 -8.003 -3.652 0.594 133 1HG GLU 16 1HG GLU 16 -9.696 -4.953 2.675 134 2HG GLU 16 2HG GLU 16 -10.230 -4.923 0.995 135 H ILE 17 H ILE 17 -8.499 -0.649 2.445 136 HA ILE 17 HA ILE 17 -6.206 0.240 1.000 137 HB ILE 17 HB ILE 17 -8.196 1.441 0.592 138 1HG1 ILE 17 1HG1 ILE 17 -7.293 3.638 2.226 139 2HG1 ILE 17 2HG1 ILE 17 -5.909 2.783 1.558 140 1HG2 ILE 17 1HG2 ILE 17 -8.419 1.674 3.571 141 2HG2 ILE 17 2HG2 ILE 17 -9.328 2.723 2.484 142 3HG2 ILE 17 3HG2 ILE 17 -9.563 0.977 2.423 143 1HD1 ILE 17 1HD1 ILE 17 -7.532 2.985 -0.614 144 2HD1 ILE 17 2HD1 ILE 17 -7.883 4.484 0.248 145 3HD1 ILE 17 3HD1 ILE 17 -6.225 4.098 -0.212 146 H GLU 18 H GLU 18 -7.184 0.331 4.389 147 HA GLU 18 HA GLU 18 -5.016 1.975 5.244 148 1HB GLU 18 1HB GLU 18 -7.198 0.452 6.517 149 2HB GLU 18 2HB GLU 18 -5.745 0.620 7.492 150 1HG GLU 18 1HG GLU 18 -5.978 3.147 6.755 151 2HG GLU 18 2HG GLU 18 -7.669 2.681 6.577 152 H ARG 19 H ARG 19 -5.481 -1.439 4.742 153 HA ARG 19 HA ARG 19 -3.202 -2.304 6.223 154 1HB ARG 19 1HB ARG 19 -5.070 -3.811 5.743 155 2HB ARG 19 2HB ARG 19 -4.744 -3.686 4.020 156 1HG ARG 19 1HG ARG 19 -2.572 -4.749 4.348 157 2HG ARG 19 2HG ARG 19 -2.888 -4.864 6.080 158 1HD ARG 19 1HD ARG 19 -4.474 -6.185 3.881 159 2HD ARG 19 2HD ARG 19 -3.348 -6.983 4.976 160 HE ARG 19 HE ARG 19 -5.218 -5.738 6.577 161 1HH1 ARG 19 1HH1 ARG 19 -5.217 -8.176 4.090 162 2HH1 ARG 19 2HH1 ARG 19 -6.594 -9.011 4.725 163 1HH2 ARG 19 1HH2 ARG 19 -7.032 -6.831 7.424 164 2HH2 ARG 19 2HH2 ARG 19 -7.627 -8.246 6.622 165 H LEU 20 H LEU 20 -3.800 -1.555 2.812 166 HA LEU 20 HA LEU 20 -1.205 -2.347 1.945 167 1HB LEU 20 1HB LEU 20 -3.495 -0.863 0.735 168 2HB LEU 20 2HB LEU 20 -1.929 -0.781 -0.048 169 HG LEU 20 HG LEU 20 -3.187 -2.510 -1.108 170 1HD1 LEU 20 1HD1 LEU 20 -0.766 -2.920 -0.602 171 2HD1 LEU 20 2HD1 LEU 20 -1.289 -3.899 0.769 172 3HD1 LEU 20 3HD1 LEU 20 -1.731 -4.371 -0.872 173 1HD2 LEU 20 1HD2 LEU 20 -3.811 -3.329 1.693 174 2HD2 LEU 20 2HD2 LEU 20 -4.889 -3.136 0.311 175 3HD2 LEU 20 3HD2 LEU 20 -3.822 -4.536 0.407 176 H GLN 21 H GLN 21 -2.557 0.533 3.318 177 HA GLN 21 HA GLN 21 -0.461 2.293 2.469 178 1HB GLN 21 1HB GLN 21 -2.960 2.644 3.584 179 2HB GLN 21 2HB GLN 21 -1.885 3.054 4.913 180 1HG GLN 21 1HG GLN 21 -1.008 4.873 3.830 181 2HG GLN 21 2HG GLN 21 -1.377 4.234 2.230 182 2HE2 GLN 21 2HE2 GLN 21 -3.364 4.769 5.116 183 1HE2 GLN 21 1HE2 GLN 21 -4.531 5.777 4.338 184 H LYS 22 H LYS 22 -1.082 0.267 5.263 185 HA LYS 22 HA LYS 22 1.069 1.296 6.836 186 1HB LYS 22 1HB LYS 22 -1.065 -0.509 7.217 187 2HB LYS 22 2HB LYS 22 0.407 -1.429 7.500 188 1HG LYS 22 1HG LYS 22 0.042 1.240 8.790 189 2HG LYS 22 2HG LYS 22 -0.737 -0.192 9.466 190 1HD LYS 22 1HD LYS 22 2.213 -0.005 8.875 191 2HD LYS 22 2HD LYS 22 1.503 0.349 10.451 192 1HE LYS 22 1HE LYS 22 0.486 -2.151 9.586 193 2HE LYS 22 2HE LYS 22 2.232 -2.172 9.344 194 1HZ LYS 22 1HZ LYS 22 1.404 -1.067 11.875 195 2HZ LYS 22 2HZ LYS 22 0.994 -2.695 11.675 196 3HZ LYS 22 3HZ LYS 22 2.608 -2.205 11.532 197 H GLU 23 H GLU 23 0.691 -1.202 4.432 198 HA GLU 23 HA GLU 23 3.160 -2.526 4.920 199 1HB GLU 23 1HB GLU 23 1.505 -2.448 2.391 200 2HB GLU 23 2HB GLU 23 2.783 -3.600 2.750 201 1HG GLU 23 1HG GLU 23 0.748 -3.521 4.817 202 2HG GLU 23 2HG GLU 23 0.095 -3.935 3.232 203 H ILE 24 H ILE 24 2.161 -0.101 2.494 204 HA ILE 24 HA ILE 24 4.721 0.107 1.307 205 HB ILE 24 HB ILE 24 2.968 0.930 -0.018 206 1HG1 ILE 24 1HG1 ILE 24 4.045 3.536 1.031 207 2HG1 ILE 24 2HG1 ILE 24 5.071 2.414 0.143 208 1HG2 ILE 24 1HG2 ILE 24 1.884 1.815 2.461 209 2HG2 ILE 24 2HG2 ILE 24 1.854 3.137 1.298 210 3HG2 ILE 24 3HG2 ILE 24 1.086 1.598 0.906 211 1HD1 ILE 24 1HD1 ILE 24 3.264 2.512 -1.670 212 2HD1 ILE 24 2HD1 ILE 24 2.687 3.944 -0.816 213 3HD1 ILE 24 3HD1 ILE 24 4.325 3.908 -1.470 214 H GLU 25 H GLU 25 3.306 1.460 4.168 215 HA GLU 25 HA GLU 25 5.053 3.645 4.535 216 1HB GLU 25 1HB GLU 25 2.956 3.399 5.784 217 2HB GLU 25 2HB GLU 25 3.600 1.982 6.601 218 1HG GLU 25 1HG GLU 25 5.296 3.335 7.674 219 2HG GLU 25 2HG GLU 25 4.732 4.762 6.807 220 H ARG 26 H ARG 26 5.159 0.298 5.751 221 HA ARG 26 HA ARG 26 7.603 0.599 7.149 222 1HB ARG 26 1HB ARG 26 6.134 -1.224 7.701 223 2HB ARG 26 2HB ARG 26 6.209 -1.847 6.058 224 1HG ARG 26 1HG ARG 26 8.663 -2.225 6.420 225 2HG ARG 26 2HG ARG 26 8.395 -1.835 8.120 226 1HD ARG 26 1HD ARG 26 6.442 -3.739 7.279 227 2HD ARG 26 2HD ARG 26 8.041 -4.316 6.815 228 HE ARG 26 HE ARG 26 8.415 -3.565 9.370 229 1HH1 ARG 26 1HH1 ARG 26 6.006 -5.556 7.835 230 2HH1 ARG 26 2HH1 ARG 26 5.754 -6.552 9.230 231 1HH2 ARG 26 1HH2 ARG 26 8.092 -4.870 11.212 232 2HH2 ARG 26 2HH2 ARG 26 6.940 -6.162 11.151 233 H HIS 27 H HIS 27 6.819 -0.418 3.868 234 HA HIS 27 HA HIS 27 9.478 -1.166 3.176 235 1HB HIS 27 1HB HIS 27 6.888 -0.890 1.776 236 2HB HIS 27 2HB HIS 27 8.323 -0.691 0.775 237 HD1 HIS 27 HD1 HIS 27 10.164 -2.787 1.314 238 HD2 HIS 27 HD2 HIS 27 6.098 -3.463 1.840 239 HE1 HIS 27 HE1 HIS 27 9.883 -5.286 1.247 240 HE2 HIS 27 HE2 HIS 27 7.415 -5.673 1.568 241 H LYS 28 H LYS 28 7.839 1.841 3.419 242 HA LYS 28 HA LYS 28 9.511 3.249 1.548 243 1HB LYS 28 1HB LYS 28 7.107 3.858 2.306 244 2HB LYS 28 2HB LYS 28 7.890 4.557 3.716 245 1HG LYS 28 1HG LYS 28 9.147 5.425 1.261 246 2HG LYS 28 2HG LYS 28 7.422 5.799 1.288 247 1HD LYS 28 1HD LYS 28 9.151 6.405 3.657 248 2HD LYS 28 2HD LYS 28 9.098 7.507 2.280 249 1HE LYS 28 1HE LYS 28 6.440 6.974 2.765 250 2HE LYS 28 2HE LYS 28 7.136 7.042 4.383 251 1HZ LYS 28 1HZ LYS 28 8.077 9.162 2.715 252 2HZ LYS 28 2HZ LYS 28 6.390 9.177 2.855 253 3HZ LYS 28 3HZ LYS 28 7.355 9.235 4.243 254 H GLN 29 H GLN 29 9.409 2.708 5.017 255 HA GLN 29 HA GLN 29 11.524 4.556 5.601 256 1HB GLN 29 1HB GLN 29 9.725 3.802 7.221 257 2HB GLN 29 2HB GLN 29 10.579 2.269 7.329 258 1HG GLN 29 1HG GLN 29 12.609 3.913 7.860 259 2HG GLN 29 2HG GLN 29 11.279 4.917 8.433 260 2HE2 GLN 29 2HE2 GLN 29 13.474 3.472 9.835 261 1HE2 GLN 29 1HE2 GLN 29 12.682 2.509 11.032 262 H SER 30 H SER 30 11.288 1.199 4.727 263 HA SER 30 HA SER 30 13.967 0.527 5.520 264 1HB SER 30 1HB SER 30 11.962 -1.074 5.276 265 2HB SER 30 2HB SER 30 12.303 -1.027 3.546 266 HG SER 30 HG SER 30 13.348 -2.721 4.963 267 H ILE 31 H ILE 31 12.338 1.349 2.484 268 HA ILE 31 HA ILE 31 14.691 1.000 0.885 269 HB ILE 31 HB ILE 31 12.508 0.720 -0.117 270 1HG1 ILE 31 1HG1 ILE 31 12.728 2.392 -2.032 271 2HG1 ILE 31 2HG1 ILE 31 14.104 3.058 -1.156 272 1HG2 ILE 31 1HG2 ILE 31 11.723 2.838 1.408 273 2HG2 ILE 31 2HG2 ILE 31 11.798 3.560 -0.198 274 3HG2 ILE 31 3HG2 ILE 31 10.787 2.144 0.084 275 1HD1 ILE 31 1HD1 ILE 31 15.110 0.763 -1.209 276 2HD1 ILE 31 2HD1 ILE 31 13.808 0.304 -2.307 277 3HD1 ILE 31 3HD1 ILE 31 14.953 1.561 -2.774 278 H LYS 32 H LYS 32 13.273 3.595 2.702 279 HA LYS 32 HA LYS 32 14.848 5.653 1.425 280 1HB LYS 32 1HB LYS 32 12.672 6.274 2.258 281 2HB LYS 32 2HB LYS 32 13.064 5.675 3.864 282 1HG LYS 32 1HG LYS 32 13.824 7.670 4.435 283 2HG LYS 32 2HG LYS 32 15.020 7.600 3.139 284 1HD LYS 32 1HD LYS 32 12.168 8.542 2.842 285 2HD LYS 32 2HD LYS 32 13.582 9.589 2.971 286 1HE LYS 32 1HE LYS 32 14.221 9.209 0.842 287 2HE LYS 32 2HE LYS 32 13.730 7.516 0.888 288 1HZ LYS 32 1HZ LYS 32 11.358 8.617 0.926 289 2HZ LYS 32 2HZ LYS 32 12.175 9.885 0.162 290 3HZ LYS 32 3HZ LYS 32 12.176 8.341 -0.528 291 H LYS 33 H LYS 33 15.003 3.637 4.274 292 HA LYS 33 HA LYS 33 17.160 5.087 5.493 293 1HB LYS 33 1HB LYS 33 15.686 3.837 6.926 294 2HB LYS 33 2HB LYS 33 15.982 2.357 6.025 295 1HG LYS 33 1HG LYS 33 18.393 2.546 6.743 296 2HG LYS 33 2HG LYS 33 17.871 3.825 7.841 297 1HD LYS 33 1HD LYS 33 16.269 2.237 8.861 298 2HD LYS 33 2HD LYS 33 16.910 0.966 7.818 299 1HE LYS 33 1HE LYS 33 19.109 2.211 9.088 300 2HE LYS 33 2HE LYS 33 17.897 1.895 10.328 301 1HZ LYS 33 1HZ LYS 33 17.981 -0.383 8.794 302 2HZ LYS 33 2HZ LYS 33 19.601 0.067 8.975 303 3HZ LYS 33 3HZ LYS 33 18.636 -0.181 10.341 304 H LEU 34 H LEU 34 16.820 2.379 3.310 305 HA LEU 34 HA LEU 34 19.541 1.519 3.502 306 1HB LEU 34 1HB LEU 34 17.171 0.567 2.314 307 2HB LEU 34 2HB LEU 34 18.308 0.804 1.000 308 HG LEU 34 HG LEU 34 19.025 -0.763 3.468 309 1HD1 LEU 34 1HD1 LEU 34 17.752 -1.741 0.920 310 2HD1 LEU 34 2HD1 LEU 34 18.545 -2.783 2.102 311 3HD1 LEU 34 3HD1 LEU 34 17.108 -1.867 2.557 312 1HD2 LEU 34 1HD2 LEU 34 20.750 0.176 1.807 313 2HD2 LEU 34 2HD2 LEU 34 20.852 -1.529 2.248 314 3HD2 LEU 34 3HD2 LEU 34 20.142 -1.059 0.704 315 H LYS 35 H LYS 35 17.702 3.603 1.318 316 HA LYS 35 HA LYS 35 19.827 4.031 -0.520 317 1HB LYS 35 1HB LYS 35 17.114 4.736 -0.340 318 2HB LYS 35 2HB LYS 35 17.991 6.259 -0.388 319 1HG LYS 35 1HG LYS 35 19.065 4.472 -2.348 320 2HG LYS 35 2HG LYS 35 17.315 4.590 -2.536 321 1HD LYS 35 1HD LYS 35 19.120 6.987 -2.279 322 2HD LYS 35 2HD LYS 35 18.659 6.281 -3.829 323 1HE LYS 35 1HE LYS 35 16.733 7.382 -3.794 324 2HE LYS 35 2HE LYS 35 16.316 6.652 -2.244 325 1HZ LYS 35 1HZ LYS 35 18.082 8.537 -1.515 326 2HZ LYS 35 2HZ LYS 35 17.329 9.294 -2.826 327 3HZ LYS 35 3HZ LYS 35 16.405 8.753 -1.516 328 H GLN 36 H GLN 36 18.769 5.638 2.421 329 HA GLN 36 HA GLN 36 20.513 7.885 2.141 330 1HB GLN 36 1HB GLN 36 18.548 8.115 3.512 331 2HB GLN 36 2HB GLN 36 19.027 6.754 4.516 332 1HG GLN 36 1HG GLN 36 21.136 8.634 4.573 333 2HG GLN 36 2HG GLN 36 19.628 9.509 4.839 334 2HE2 GLN 36 2HE2 GLN 36 21.289 6.549 5.866 335 1HE2 GLN 36 1HE2 GLN 36 20.796 6.640 7.520 336 H SER 37 H SER 37 20.789 4.674 3.429 337 HA SER 37 HA SER 37 23.089 5.090 5.034 338 1HB SER 37 1HB SER 37 21.641 2.732 3.936 339 2HB SER 37 2HB SER 37 23.312 2.486 4.444 340 HG SER 37 HG SER 37 22.508 2.358 6.375 341 H GLU 38 H GLU 38 22.577 4.528 1.634 342 HA GLU 38 HA GLU 38 25.158 3.684 0.915 343 1HB GLU 38 1HB GLU 38 22.942 3.812 -0.470 344 2HB GLU 38 2HB GLU 38 23.509 5.423 -0.888 345 1HG GLU 38 1HG GLU 38 24.959 2.833 -1.390 346 2HG GLU 38 2HG GLU 38 24.137 3.828 -2.591 347 H ASP 39 H ASP 39 23.823 6.845 1.574 348 HA ASP 39 HA ASP 39 25.986 8.339 0.467 349 1HB ASP 39 1HB ASP 39 23.462 8.910 1.618 350 2HB ASP 39 2HB ASP 39 24.663 9.778 2.569 351 H ASP 40 H ASP 40 25.438 6.719 3.471 352 HA ASP 40 HA ASP 40 26.827 6.291 5.227 353 1HB ASP 40 1HB ASP 40 28.582 6.813 3.127 354 2HB ASP 40 2HB ASP 40 29.143 7.858 4.429 355 H ASP 41 H ASP 41 26.108 7.315 6.976 356 HA ASP 41 HA ASP 41 25.632 8.958 8.483 357 1HB ASP 41 1HB ASP 41 28.316 8.825 8.211 358 2HB ASP 41 2HB ASP 41 28.053 10.512 7.775 359 H1 ALA 1 H1 ALA 1 31.412 -5.490 -8.905 360 H2 ALA 1 H2 ALA 1 31.483 -4.531 -10.327 361 H3 ALA 1 H3 ALA 1 32.668 -4.341 -9.101 362 HA ALA 1 HA ALA 1 31.145 -2.563 -9.009 363 1HB ALA 1 1HB ALA 1 29.231 -4.720 -9.430 364 2HB ALA 1 2HB ALA 1 29.096 -2.997 -9.782 365 3HB ALA 1 3HB ALA 1 28.750 -3.596 -8.159 366 H LEU 2 H LEU 2 30.911 -1.578 -7.043 367 HA LEU 2 HA LEU 2 31.604 -3.214 -4.718 368 1HB LEU 2 1HB LEU 2 32.584 -0.813 -5.596 369 2HB LEU 2 2HB LEU 2 31.433 -0.304 -4.374 370 HG LEU 2 HG LEU 2 32.586 -1.855 -2.763 371 1HD1 LEU 2 1HD1 LEU 2 34.018 -2.532 -5.177 372 2HD1 LEU 2 2HD1 LEU 2 35.118 -2.014 -3.898 373 3HD1 LEU 2 3HD1 LEU 2 33.998 -3.345 -3.612 374 1HD2 LEU 2 1HD2 LEU 2 33.036 0.691 -3.214 375 2HD2 LEU 2 2HD2 LEU 2 34.072 -0.231 -2.125 376 3HD2 LEU 2 3HD2 LEU 2 34.598 0.093 -3.777 377 H LYS 3 H LYS 3 30.340 -3.372 -2.920 378 HA LYS 3 HA LYS 3 28.414 -3.456 -1.712 379 1HB LYS 3 1HB LYS 3 28.398 -0.612 -2.698 380 2HB LYS 3 2HB LYS 3 27.132 -1.227 -1.643 381 1HG LYS 3 1HG LYS 3 28.468 -0.496 -0.004 382 2HG LYS 3 2HG LYS 3 29.345 -2.001 -0.289 383 1HD LYS 3 1HD LYS 3 31.022 -0.943 -1.497 384 2HD LYS 3 2HD LYS 3 30.012 0.457 -1.861 385 1HE LYS 3 1HE LYS 3 30.050 0.888 0.670 386 2HE LYS 3 2HE LYS 3 31.400 -0.247 0.705 387 1HZ LYS 3 1HZ LYS 3 31.387 2.080 -1.118 388 2HZ LYS 3 2HZ LYS 3 31.936 2.213 0.477 389 3HZ LYS 3 3HZ LYS 3 32.705 1.157 -0.597 390 H LYS 4 H LYS 4 28.312 -4.374 -4.458 391 HA LYS 4 HA LYS 4 25.990 -3.546 -5.796 392 1HB LYS 4 1HB LYS 4 28.016 -5.377 -6.262 393 2HB LYS 4 2HB LYS 4 26.583 -6.385 -6.115 394 1HG LYS 4 1HG LYS 4 26.130 -4.049 -7.778 395 2HG LYS 4 2HG LYS 4 27.432 -5.075 -8.381 396 1HD LYS 4 1HD LYS 4 26.005 -6.969 -8.491 397 2HD LYS 4 2HD LYS 4 24.736 -6.149 -7.580 398 1HE LYS 4 1HE LYS 4 25.173 -4.478 -9.733 399 2HE LYS 4 2HE LYS 4 25.327 -6.092 -10.428 400 1HZ LYS 4 1HZ LYS 4 23.163 -6.645 -9.448 401 2HZ LYS 4 2HZ LYS 4 23.014 -5.061 -8.874 402 3HZ LYS 4 3HZ LYS 4 23.053 -5.358 -10.540 403 H HIS 5 H HIS 5 26.507 -5.946 -3.271 404 HA HIS 5 HA HIS 5 24.051 -7.247 -3.341 405 1HB HIS 5 1HB HIS 5 24.492 -7.507 -0.790 406 2HB HIS 5 2HB HIS 5 25.619 -8.235 -1.930 407 HD1 HIS 5 HD1 HIS 5 28.009 -7.394 -1.913 408 HD2 HIS 5 HD2 HIS 5 25.482 -5.179 0.532 409 HE1 HIS 5 HE1 HIS 5 29.517 -5.895 -0.568 410 HE2 HIS 5 HE2 HIS 5 27.967 -4.563 0.904 411 H HIS 6 H HIS 6 24.994 -4.325 -1.556 412 HA HIS 6 HA HIS 6 22.553 -3.901 -0.249 413 1HB HIS 6 1HB HIS 6 25.027 -2.516 -0.554 414 2HB HIS 6 2HB HIS 6 23.724 -1.377 -0.875 415 HD1 HIS 6 HD1 HIS 6 23.362 -4.143 1.640 416 HD2 HIS 6 HD2 HIS 6 24.005 -0.038 1.542 417 HE1 HIS 6 HE1 HIS 6 23.087 -3.362 4.015 418 HE2 HIS 6 HE2 HIS 6 23.481 -0.874 3.933 419 H GLU 7 H GLU 7 23.747 -2.650 -3.354 420 HA GLU 7 HA GLU 7 21.559 -1.049 -3.999 421 1HB GLU 7 1HB GLU 7 23.823 -1.266 -5.193 422 2HB GLU 7 2HB GLU 7 23.105 -2.625 -6.047 423 1HG GLU 7 1HG GLU 7 21.333 -1.139 -6.878 424 2HG GLU 7 2HG GLU 7 22.114 0.216 -6.065 425 H ASN 8 H ASN 8 21.914 -4.487 -4.017 426 HA ASN 8 HA ASN 8 19.757 -5.068 -5.788 427 1HB ASN 8 1HB ASN 8 21.703 -6.550 -4.291 428 2HB ASN 8 2HB ASN 8 20.107 -7.218 -3.970 429 2HD2 ASN 8 2HD2 ASN 8 21.344 -9.021 -5.103 430 1HD2 ASN 8 1HD2 ASN 8 21.142 -9.116 -6.816 431 H GLU 9 H GLU 9 20.060 -5.370 -2.245 432 HA GLU 9 HA GLU 9 17.362 -5.889 -1.734 433 1HB GLU 9 1HB GLU 9 19.531 -5.893 -0.194 434 2HB GLU 9 2HB GLU 9 18.934 -4.296 0.237 435 1HG GLU 9 1HG GLU 9 18.016 -5.686 1.847 436 2HG GLU 9 2HG GLU 9 16.703 -5.461 0.692 437 H ILE 10 H ILE 10 18.969 -2.971 -2.598 438 HA ILE 10 HA ILE 10 17.046 -1.163 -1.523 439 HB ILE 10 HB ILE 10 19.591 -0.972 -2.742 440 1HG1 ILE 10 1HG1 ILE 10 18.432 1.596 -2.095 441 2HG1 ILE 10 2HG1 ILE 10 18.019 0.385 -0.883 442 1HG2 ILE 10 1HG2 ILE 10 17.536 0.585 -4.287 443 2HG2 ILE 10 2HG2 ILE 10 19.233 1.060 -4.199 444 3HG2 ILE 10 3HG2 ILE 10 18.787 -0.494 -4.904 445 1HD1 ILE 10 1HD1 ILE 10 20.676 -0.082 -1.264 446 2HD1 ILE 10 2HD1 ILE 10 20.572 1.667 -1.467 447 3HD1 ILE 10 3HD1 ILE 10 19.986 0.916 0.017 448 H SER 11 H SER 11 17.677 -2.413 -4.796 449 HA SER 11 HA SER 11 15.531 -1.102 -6.053 450 1HB SER 11 1HB SER 11 16.713 -3.762 -6.873 451 2HB SER 11 2HB SER 11 15.906 -2.585 -7.908 452 HG SER 11 HG SER 11 17.985 -2.126 -8.228 453 H HIS 12 H HIS 12 15.701 -4.027 -4.165 454 HA HIS 12 HA HIS 12 13.198 -5.083 -5.005 455 1HB HIS 12 1HB HIS 12 14.161 -6.853 -4.024 456 2HB HIS 12 2HB HIS 12 15.346 -5.836 -3.225 457 HD1 HIS 12 HD1 HIS 12 11.834 -7.168 -2.671 458 HD2 HIS 12 HD2 HIS 12 15.075 -5.698 -0.530 459 HE1 HIS 12 HE1 HIS 12 11.252 -7.519 -0.248 460 HE2 HIS 12 HE2 HIS 12 13.230 -6.626 1.032 461 H HIS 13 H HIS 13 14.221 -3.156 -2.182 462 HA HIS 13 HA HIS 13 11.670 -3.035 -0.980 463 1HB HIS 13 1HB HIS 13 13.851 -0.948 -0.817 464 2HB HIS 13 2HB HIS 13 12.518 -1.163 0.309 465 HD1 HIS 13 HD1 HIS 13 12.905 -4.353 0.440 466 HD2 HIS 13 HD2 HIS 13 15.778 -1.428 1.083 467 HE1 HIS 13 HE1 HIS 13 14.656 -5.443 1.882 468 HE2 HIS 13 HE2 HIS 13 16.392 -3.656 2.257 469 H ALA 14 H ALA 14 13.115 -1.342 -3.639 470 HA ALA 14 HA ALA 14 11.410 0.911 -3.691 471 1HB ALA 14 1HB ALA 14 13.068 -0.438 -5.807 472 2HB ALA 14 2HB ALA 14 13.405 1.061 -4.942 473 3HB ALA 14 3HB ALA 14 12.105 1.002 -6.133 474 H LYS 15 H LYS 15 11.321 -2.156 -5.501 475 HA LYS 15 HA LYS 15 8.854 -1.621 -6.779 476 1HB LYS 15 1HB LYS 15 10.784 -3.671 -6.821 477 2HB LYS 15 2HB LYS 15 9.273 -4.445 -6.365 478 1HG LYS 15 1HG LYS 15 8.209 -3.793 -8.352 479 2HG LYS 15 2HG LYS 15 9.466 -2.614 -8.732 480 1HD LYS 15 1HD LYS 15 10.243 -4.237 -10.084 481 2HD LYS 15 2HD LYS 15 10.926 -4.894 -8.595 482 1HE LYS 15 1HE LYS 15 8.492 -5.980 -8.453 483 2HE LYS 15 2HE LYS 15 8.616 -5.820 -10.204 484 1HZ LYS 15 1HZ LYS 15 10.871 -6.997 -8.748 485 2HZ LYS 15 2HZ LYS 15 9.487 -7.942 -8.980 486 3HZ LYS 15 3HZ LYS 15 10.316 -7.314 -10.315 487 H GLU 16 H GLU 16 9.671 -2.633 -3.593 488 HA GLU 16 HA GLU 16 7.206 -3.926 -2.968 489 1HB GLU 16 1HB GLU 16 9.407 -2.804 -1.234 490 2HB GLU 16 2HB GLU 16 8.005 -3.649 -0.595 491 1HG GLU 16 1HG GLU 16 9.697 -4.952 -2.676 492 2HG GLU 16 2HG GLU 16 10.230 -4.924 -0.996 493 H ILE 17 H ILE 17 8.500 -0.649 -2.446 494 HA ILE 17 HA ILE 17 6.206 0.241 -1.001 495 HB ILE 17 HB ILE 17 8.196 1.442 -0.592 496 1HG1 ILE 17 1HG1 ILE 17 7.294 3.639 -2.225 497 2HG1 ILE 17 2HG1 ILE 17 5.909 2.784 -1.557 498 1HG2 ILE 17 1HG2 ILE 17 8.420 1.674 -3.570 499 2HG2 ILE 17 2HG2 ILE 17 9.328 2.724 -2.482 500 3HG2 ILE 17 3HG2 ILE 17 9.563 0.977 -2.422 501 1HD1 ILE 17 1HD1 ILE 17 7.530 2.985 0.616 502 2HD1 ILE 17 2HD1 ILE 17 7.883 4.482 -0.246 503 3HD1 ILE 17 3HD1 ILE 17 6.224 4.099 0.214 504 H GLU 18 H GLU 18 7.183 0.332 -4.388 505 HA GLU 18 HA GLU 18 5.016 1.976 -5.244 506 1HB GLU 18 1HB GLU 18 7.199 0.454 -6.517 507 2HB GLU 18 2HB GLU 18 5.745 0.619 -7.491 508 1HG GLU 18 1HG GLU 18 5.977 3.147 -6.754 509 2HG GLU 18 2HG GLU 18 7.668 2.682 -6.578 510 H ARG 19 H ARG 19 5.480 -1.438 -4.742 511 HA ARG 19 HA ARG 19 3.202 -2.303 -6.224 512 1HB ARG 19 1HB ARG 19 5.070 -3.810 -5.744 513 2HB ARG 19 2HB ARG 19 4.743 -3.686 -4.021 514 1HG ARG 19 1HG ARG 19 2.572 -4.749 -4.349 515 2HG ARG 19 2HG ARG 19 2.888 -4.862 -6.081 516 1HD ARG 19 1HD ARG 19 4.475 -6.185 -3.883 517 2HD ARG 19 2HD ARG 19 3.348 -6.983 -4.978 518 HE ARG 19 HE ARG 19 5.217 -5.738 -6.579 519 1HH1 ARG 19 1HH1 ARG 19 5.217 -8.176 -4.092 520 2HH1 ARG 19 2HH1 ARG 19 6.594 -9.011 -4.730 521 1HH2 ARG 19 1HH2 ARG 19 7.031 -6.831 -7.428 522 2HH2 ARG 19 2HH2 ARG 19 7.626 -8.246 -6.626 523 H LEU 20 H LEU 20 3.801 -1.555 -2.813 524 HA LEU 20 HA LEU 20 1.205 -2.347 -1.944 525 1HB LEU 20 1HB LEU 20 3.496 -0.863 -0.735 526 2HB LEU 20 2HB LEU 20 1.930 -0.781 0.049 527 HG LEU 20 HG LEU 20 3.187 -2.510 1.108 528 1HD1 LEU 20 1HD1 LEU 20 0.767 -2.921 0.602 529 2HD1 LEU 20 2HD1 LEU 20 1.289 -3.899 -0.769 530 3HD1 LEU 20 3HD1 LEU 20 1.732 -4.372 0.872 531 1HD2 LEU 20 1HD2 LEU 20 3.812 -3.329 -1.693 532 2HD2 LEU 20 2HD2 LEU 20 4.890 -3.135 -0.312 533 3HD2 LEU 20 3HD2 LEU 20 3.823 -4.535 -0.408 534 H GLN 21 H GLN 21 2.557 0.533 -3.318 535 HA GLN 21 HA GLN 21 0.460 2.293 -2.469 536 1HB GLN 21 1HB GLN 21 2.960 2.644 -3.583 537 2HB GLN 21 2HB GLN 21 1.885 3.054 -4.913 538 1HG GLN 21 1HG GLN 21 1.008 4.873 -3.828 539 2HG GLN 21 2HG GLN 21 1.378 4.234 -2.227 540 2HE2 GLN 21 2HE2 GLN 21 3.365 4.769 -5.115 541 1HE2 GLN 21 1HE2 GLN 21 4.531 5.778 -4.336 542 H LYS 22 H LYS 22 1.082 0.268 -5.263 543 HA LYS 22 HA LYS 22 -1.069 1.297 -6.835 544 1HB LYS 22 1HB LYS 22 1.064 -0.508 -7.217 545 2HB LYS 22 2HB LYS 22 -0.407 -1.428 -7.500 546 1HG LYS 22 1HG LYS 22 -0.044 1.240 -8.789 547 2HG LYS 22 2HG LYS 22 0.735 -0.191 -9.467 548 1HD LYS 22 1HD LYS 22 -2.214 -0.004 -8.872 549 2HD LYS 22 2HD LYS 22 -1.506 0.350 -10.449 550 1HE LYS 22 1HE LYS 22 -0.488 -2.150 -9.585 551 2HE LYS 22 2HE LYS 22 -2.234 -2.171 -9.342 552 1HZ LYS 22 1HZ LYS 22 -1.408 -1.065 -11.874 553 2HZ LYS 22 2HZ LYS 22 -0.997 -2.694 -11.674 554 3HZ LYS 22 3HZ LYS 22 -2.611 -2.203 -11.531 555 H GLU 23 H GLU 23 -0.692 -1.201 -4.432 556 HA GLU 23 HA GLU 23 -3.160 -2.525 -4.921 557 1HB GLU 23 1HB GLU 23 -1.504 -2.448 -2.391 558 2HB GLU 23 2HB GLU 23 -2.783 -3.600 -2.750 559 1HG GLU 23 1HG GLU 23 -0.749 -3.521 -4.817 560 2HG GLU 23 2HG GLU 23 -0.094 -3.935 -3.234 561 H ILE 24 H ILE 24 -2.161 -0.101 -2.494 562 HA ILE 24 HA ILE 24 -4.720 0.106 -1.306 563 HB ILE 24 HB ILE 24 -2.967 0.929 0.019 564 1HG1 ILE 24 1HG1 ILE 24 -4.044 3.536 -1.030 565 2HG1 ILE 24 2HG1 ILE 24 -5.070 2.414 -0.143 566 1HG2 ILE 24 1HG2 ILE 24 -1.885 1.815 -2.461 567 2HG2 ILE 24 2HG2 ILE 24 -1.853 3.138 -1.297 568 3HG2 ILE 24 3HG2 ILE 24 -1.085 1.599 -0.905 569 1HD1 ILE 24 1HD1 ILE 24 -3.264 2.512 1.671 570 2HD1 ILE 24 2HD1 ILE 24 -2.687 3.943 0.817 571 3HD1 ILE 24 3HD1 ILE 24 -4.324 3.907 1.471 572 H GLU 25 H GLU 25 -3.306 1.460 -4.168 573 HA GLU 25 HA GLU 25 -5.054 3.645 -4.532 574 1HB GLU 25 1HB GLU 25 -2.956 3.399 -5.783 575 2HB GLU 25 2HB GLU 25 -3.600 1.982 -6.600 576 1HG GLU 25 1HG GLU 25 -5.297 3.336 -7.673 577 2HG GLU 25 2HG GLU 25 -4.732 4.764 -6.805 578 H ARG 26 H ARG 26 -5.160 0.298 -5.751 579 HA ARG 26 HA ARG 26 -7.604 0.600 -7.148 580 1HB ARG 26 1HB ARG 26 -6.135 -1.223 -7.700 581 2HB ARG 26 2HB ARG 26 -6.209 -1.846 -6.057 582 1HG ARG 26 1HG ARG 26 -8.664 -2.225 -6.418 583 2HG ARG 26 2HG ARG 26 -8.396 -1.833 -8.118 584 1HD ARG 26 1HD ARG 26 -6.443 -3.738 -7.278 585 2HD ARG 26 2HD ARG 26 -8.043 -4.316 -6.813 586 HE ARG 26 HE ARG 26 -8.417 -3.564 -9.368 587 1HH1 ARG 26 1HH1 ARG 26 -6.008 -5.555 -7.834 588 2HH1 ARG 26 2HH1 ARG 26 -5.755 -6.552 -9.229 589 1HH2 ARG 26 1HH2 ARG 26 -8.095 -4.869 -11.210 590 2HH2 ARG 26 2HH2 ARG 26 -6.942 -6.161 -11.148 591 H HIS 27 H HIS 27 -6.820 -0.419 -3.867 592 HA HIS 27 HA HIS 27 -9.479 -1.166 -3.174 593 1HB HIS 27 1HB HIS 27 -6.888 -0.889 -1.774 594 2HB HIS 27 2HB HIS 27 -8.323 -0.692 -0.774 595 HD1 HIS 27 HD1 HIS 27 -10.163 -2.789 -1.313 596 HD2 HIS 27 HD2 HIS 27 -6.097 -3.463 -1.842 597 HE1 HIS 27 HE1 HIS 27 -9.882 -5.287 -1.247 598 HE2 HIS 27 HE2 HIS 27 -7.412 -5.673 -1.570 599 H LYS 28 H LYS 28 -7.839 1.842 -3.417 600 HA LYS 28 HA LYS 28 -9.510 3.249 -1.545 601 1HB LYS 28 1HB LYS 28 -7.107 3.858 -2.304 602 2HB LYS 28 2HB LYS 28 -7.890 4.557 -3.713 603 1HG LYS 28 1HG LYS 28 -9.146 5.425 -1.259 604 2HG LYS 28 2HG LYS 28 -7.421 5.798 -1.286 605 1HD LYS 28 1HD LYS 28 -9.150 6.406 -3.655 606 2HD LYS 28 2HD LYS 28 -9.098 7.507 -2.277 607 1HE LYS 28 1HE LYS 28 -6.439 6.974 -2.762 608 2HE LYS 28 2HE LYS 28 -7.136 7.044 -4.380 609 1HZ LYS 28 1HZ LYS 28 -8.077 9.162 -2.710 610 2HZ LYS 28 2HZ LYS 28 -6.390 9.178 -2.851 611 3HZ LYS 28 3HZ LYS 28 -7.356 9.237 -4.238 612 H GLN 29 H GLN 29 -9.411 2.710 -5.015 613 HA GLN 29 HA GLN 29 -11.524 4.557 -5.597 614 1HB GLN 29 1HB GLN 29 -9.727 3.803 -7.218 615 2HB GLN 29 2HB GLN 29 -10.579 2.270 -7.327 616 1HG GLN 29 1HG GLN 29 -12.612 3.914 -7.855 617 2HG GLN 29 2HG GLN 29 -11.280 4.918 -8.430 618 2HE2 GLN 29 2HE2 GLN 29 -13.478 3.472 -9.831 619 1HE2 GLN 29 1HE2 GLN 29 -12.685 2.510 -11.026 620 H SER 30 H SER 30 -11.288 1.201 -4.725 621 HA SER 30 HA SER 30 -13.967 0.527 -5.517 622 1HB SER 30 1HB SER 30 -11.963 -1.074 -5.274 623 2HB SER 30 2HB SER 30 -12.303 -1.027 -3.545 624 HG SER 30 HG SER 30 -13.349 -2.719 -4.959 625 H ILE 31 H ILE 31 -12.338 1.349 -2.482 626 HA ILE 31 HA ILE 31 -14.690 1.001 -0.882 627 HB ILE 31 HB ILE 31 -12.508 0.720 0.120 628 1HG1 ILE 31 1HG1 ILE 31 -12.727 2.390 2.035 629 2HG1 ILE 31 2HG1 ILE 31 -14.103 3.058 1.158 630 1HG2 ILE 31 1HG2 ILE 31 -11.722 2.839 -1.405 631 2HG2 ILE 31 2HG2 ILE 31 -11.799 3.560 0.202 632 3HG2 ILE 31 3HG2 ILE 31 -10.786 2.145 -0.082 633 1HD1 ILE 31 1HD1 ILE 31 -15.112 0.764 1.211 634 2HD1 ILE 31 2HD1 ILE 31 -13.809 0.301 2.307 635 3HD1 ILE 31 3HD1 ILE 31 -14.952 1.560 2.777 636 H LYS 32 H LYS 32 -13.273 3.595 -2.699 637 HA LYS 32 HA LYS 32 -14.848 5.654 -1.420 638 1HB LYS 32 1HB LYS 32 -12.671 6.275 -2.254 639 2HB LYS 32 2HB LYS 32 -13.064 5.677 -3.859 640 1HG LYS 32 1HG LYS 32 -13.825 7.672 -4.428 641 2HG LYS 32 2HG LYS 32 -15.020 7.602 -3.131 642 1HD LYS 32 1HD LYS 32 -12.167 8.543 -2.835 643 2HD LYS 32 2HD LYS 32 -13.582 9.591 -2.964 644 1HE LYS 32 1HE LYS 32 -14.220 9.208 -0.834 645 2HE LYS 32 2HE LYS 32 -13.729 7.516 -0.881 646 1HZ LYS 32 1HZ LYS 32 -11.356 8.616 -0.920 647 2HZ LYS 32 2HZ LYS 32 -12.175 9.885 -0.155 648 3HZ LYS 32 3HZ LYS 32 -12.175 8.340 0.535 649 H LYS 33 H LYS 33 -15.003 3.639 -4.269 650 HA LYS 33 HA LYS 33 -17.161 5.088 -5.487 651 1HB LYS 33 1HB LYS 33 -15.687 3.840 -6.921 652 2HB LYS 33 2HB LYS 33 -15.983 2.359 -6.021 653 1HG LYS 33 1HG LYS 33 -18.394 2.549 -6.737 654 2HG LYS 33 2HG LYS 33 -17.873 3.827 -7.836 655 1HD LYS 33 1HD LYS 33 -16.272 2.237 -8.856 656 2HD LYS 33 2HD LYS 33 -16.912 0.967 -7.812 657 1HE LYS 33 1HE LYS 33 -19.112 2.213 -9.081 658 2HE LYS 33 2HE LYS 33 -17.900 1.895 -10.322 659 1HZ LYS 33 1HZ LYS 33 -17.983 -0.382 -8.787 660 2HZ LYS 33 2HZ LYS 33 -19.604 0.067 -8.967 661 3HZ LYS 33 3HZ LYS 33 -18.640 -0.182 -10.334 662 H LEU 34 H LEU 34 -16.820 2.380 -3.307 663 HA LEU 34 HA LEU 34 -19.542 1.520 -3.497 664 1HB LEU 34 1HB LEU 34 -17.172 0.566 -2.312 665 2HB LEU 34 2HB LEU 34 -18.306 0.805 -0.997 666 HG LEU 34 HG LEU 34 -19.029 -0.762 -3.464 667 1HD1 LEU 34 1HD1 LEU 34 -17.751 -1.743 -0.920 668 2HD1 LEU 34 2HD1 LEU 34 -18.545 -2.784 -2.101 669 3HD1 LEU 34 3HD1 LEU 34 -17.109 -1.866 -2.557 670 1HD2 LEU 34 1HD2 LEU 34 -20.750 0.176 -1.797 671 2HD2 LEU 34 2HD2 LEU 34 -20.853 -1.529 -2.239 672 3HD2 LEU 34 3HD2 LEU 34 -20.138 -1.058 -0.697 673 H LYS 35 H LYS 35 -17.701 3.602 -1.313 674 HA LYS 35 HA LYS 35 -19.825 4.030 0.526 675 1HB LYS 35 1HB LYS 35 -17.112 4.734 0.346 676 2HB LYS 35 2HB LYS 35 -17.988 6.257 0.394 677 1HG LYS 35 1HG LYS 35 -19.063 4.469 2.355 678 2HG LYS 35 2HG LYS 35 -17.312 4.588 2.542 679 1HD LYS 35 1HD LYS 35 -19.117 6.986 2.285 680 2HD LYS 35 2HD LYS 35 -18.657 6.279 3.837 681 1HE LYS 35 1HE LYS 35 -16.730 7.379 3.801 682 2HE LYS 35 2HE LYS 35 -16.314 6.651 2.251 683 1HZ LYS 35 1HZ LYS 35 -18.080 8.535 1.523 684 2HZ LYS 35 2HZ LYS 35 -17.327 9.292 2.834 685 3HZ LYS 35 3HZ LYS 35 -16.403 8.752 1.525 686 H GLN 36 H GLN 36 -18.769 5.637 -2.414 687 HA GLN 36 HA GLN 36 -20.513 7.884 -2.131 688 1HB GLN 36 1HB GLN 36 -18.549 8.115 -3.503 689 2HB GLN 36 2HB GLN 36 -19.028 6.754 -4.508 690 1HG GLN 36 1HG GLN 36 -21.137 8.635 -4.564 691 2HG GLN 36 2HG GLN 36 -19.629 9.509 -4.829 692 2HE2 GLN 36 2HE2 GLN 36 -21.290 6.549 -5.857 693 1HE2 GLN 36 1HE2 GLN 36 -20.798 6.641 -7.510 694 H SER 37 H SER 37 -20.790 4.673 -3.420 695 HA SER 37 HA SER 37 -23.092 5.089 -5.024 696 1HB SER 37 1HB SER 37 -21.642 2.732 -3.928 697 2HB SER 37 2HB SER 37 -23.313 2.486 -4.435 698 HG SER 37 HG SER 37 -22.509 2.357 -6.365 699 H GLU 38 H GLU 38 -22.577 4.528 -1.624 700 HA GLU 38 HA GLU 38 -25.157 3.685 -0.904 701 1HB GLU 38 1HB GLU 38 -22.940 3.811 0.479 702 2HB GLU 38 2HB GLU 38 -23.508 5.421 0.898 703 1HG GLU 38 1HG GLU 38 -24.957 2.833 1.400 704 2HG GLU 38 2HG GLU 38 -24.135 3.828 2.601 705 H ASP 39 H ASP 39 -23.822 6.845 -1.564 706 HA ASP 39 HA ASP 39 -25.985 8.338 -0.455 707 1HB ASP 39 1HB ASP 39 -23.462 8.909 -1.607 708 2HB ASP 39 2HB ASP 39 -24.663 9.778 -2.558 709 H ASP 40 H ASP 40 -25.439 6.718 -3.461 710 HA ASP 40 HA ASP 40 -26.828 6.291 -5.215 711 1HB ASP 40 1HB ASP 40 -28.583 6.813 -3.114 712 2HB ASP 40 2HB ASP 40 -29.143 7.858 -4.415 713 H ASP 41 H ASP 41 -26.109 7.315 -6.964 714 HA ASP 41 HA ASP 41 -25.634 8.959 -8.471 715 1HB ASP 41 1HB ASP 41 -28.318 8.826 -8.198 716 2HB ASP 41 2HB ASP 41 -28.054 10.512 -7.763 No H/Q in entry = 716 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -34.583 -10.598 2.987 2 H2 ALA 1 H2 ALA 1 -35.764 -9.378 3.234 3 H3 ALA 1 H3 ALA 1 -35.906 -10.450 1.904 4 HA ALA 1 HA ALA 1 -33.938 -9.581 0.937 5 1HB ALA 1 1HB ALA 1 -36.308 -8.514 0.740 6 2HB ALA 1 2HB ALA 1 -35.572 -7.182 1.631 7 3HB ALA 1 3HB ALA 1 -34.906 -7.678 0.075 8 H LEU 2 H LEU 2 -32.262 -9.878 2.608 9 HA LEU 2 HA LEU 2 -31.637 -7.373 4.024 10 1HB LEU 2 1HB LEU 2 -30.222 -9.915 4.656 11 2HB LEU 2 2HB LEU 2 -30.627 -8.571 5.706 12 HG LEU 2 HG LEU 2 -33.102 -9.448 5.237 13 1HD1 LEU 2 1HD1 LEU 2 -31.313 -11.647 4.437 14 2HD1 LEU 2 2HD1 LEU 2 -32.639 -12.083 5.514 15 3HD1 LEU 2 3HD1 LEU 2 -32.978 -11.305 3.967 16 1HD2 LEU 2 1HD2 LEU 2 -31.108 -10.490 7.234 17 2HD2 LEU 2 2HD2 LEU 2 -32.269 -9.179 7.439 18 3HD2 LEU 2 3HD2 LEU 2 -32.833 -10.846 7.316 19 H LYS 3 H LYS 3 -30.451 -6.224 2.586 20 HA LYS 3 HA LYS 3 -28.244 -7.555 1.195 21 1HB LYS 3 1HB LYS 3 -29.886 -5.150 0.698 22 2HB LYS 3 2HB LYS 3 -28.189 -5.012 0.260 23 1HG LYS 3 1HG LYS 3 -28.702 -5.986 -1.661 24 2HG LYS 3 2HG LYS 3 -28.971 -7.476 -0.754 25 1HD LYS 3 1HD LYS 3 -31.329 -6.264 -0.335 26 2HD LYS 3 2HD LYS 3 -30.917 -5.568 -1.905 27 1HE LYS 3 1HE LYS 3 -30.329 -8.313 -2.068 28 2HE LYS 3 2HE LYS 3 -31.900 -8.190 -1.279 29 1HZ LYS 3 1HZ LYS 3 -31.742 -6.412 -3.481 30 2HZ LYS 3 2HZ LYS 3 -31.376 -7.987 -3.977 31 3HZ LYS 3 3HZ LYS 3 -32.843 -7.665 -3.198 32 H LYS 4 H LYS 4 -27.707 -7.427 3.814 33 HA LYS 4 HA LYS 4 -26.128 -5.019 4.313 34 1HB LYS 4 1HB LYS 4 -25.957 -5.771 6.586 35 2HB LYS 4 2HB LYS 4 -27.633 -5.946 6.081 36 1HG LYS 4 1HG LYS 4 -26.602 -8.394 5.462 37 2HG LYS 4 2HG LYS 4 -25.700 -7.967 6.918 38 1HD LYS 4 1HD LYS 4 -27.967 -7.366 7.932 39 2HD LYS 4 2HD LYS 4 -28.673 -8.227 6.563 40 1HE LYS 4 1HE LYS 4 -26.741 -9.371 8.578 41 2HE LYS 4 2HE LYS 4 -28.476 -9.677 8.518 42 1HZ LYS 4 1HZ LYS 4 -27.191 -10.220 6.022 43 2HZ LYS 4 2HZ LYS 4 -26.541 -11.146 7.281 44 3HZ LYS 4 3HZ LYS 4 -28.200 -11.210 6.951 45 H HIS 5 H HIS 5 -25.396 -7.125 2.327 46 HA HIS 5 HA HIS 5 -23.021 -8.339 3.480 47 1HB HIS 5 1HB HIS 5 -23.709 -8.452 0.562 48 2HB HIS 5 2HB HIS 5 -22.894 -9.653 1.558 49 HD1 HIS 5 HD1 HIS 5 -25.216 -9.555 3.804 50 HD2 HIS 5 HD2 HIS 5 -25.668 -10.261 -0.265 51 HE1 HIS 5 HE1 HIS 5 -27.376 -10.823 3.578 52 HE2 HIS 5 HE2 HIS 5 -27.630 -11.240 1.106 53 H HIS 6 H HIS 6 -23.905 -5.745 1.295 54 HA HIS 6 HA HIS 6 -21.353 -5.230 0.228 55 1HB HIS 6 1HB HIS 6 -23.785 -3.485 0.616 56 2HB HIS 6 2HB HIS 6 -22.314 -2.887 -0.144 57 HD1 HIS 6 HD1 HIS 6 -22.954 -6.367 -1.006 58 HD2 HIS 6 HD2 HIS 6 -24.104 -2.641 -2.445 59 HE1 HIS 6 HE1 HIS 6 -23.843 -6.785 -3.321 60 HE2 HIS 6 HE2 HIS 6 -24.534 -4.517 -4.173 61 H GLU 7 H GLU 7 -22.957 -4.077 3.155 62 HA GLU 7 HA GLU 7 -21.032 -2.161 3.883 63 1HB GLU 7 1HB GLU 7 -23.015 -3.755 5.506 64 2HB GLU 7 2HB GLU 7 -21.974 -2.529 6.218 65 1HG GLU 7 1HG GLU 7 -22.946 -0.852 4.712 66 2HG GLU 7 2HG GLU 7 -24.020 -2.088 4.056 67 H ASN 8 H ASN 8 -21.032 -5.608 4.020 68 HA ASN 8 HA ASN 8 -19.037 -5.857 6.067 69 1HB ASN 8 1HB ASN 8 -20.716 -7.619 4.569 70 2HB ASN 8 2HB ASN 8 -19.049 -8.154 4.379 71 2HD2 ASN 8 2HD2 ASN 8 -19.323 -9.992 5.596 72 1HD2 ASN 8 1HD2 ASN 8 -19.547 -9.958 7.308 73 H GLU 9 H GLU 9 -18.978 -6.503 2.554 74 HA GLU 9 HA GLU 9 -16.150 -6.643 2.402 75 1HB GLU 9 1HB GLU 9 -17.812 -7.579 0.735 76 2HB GLU 9 2HB GLU 9 -18.035 -5.937 0.149 77 1HG GLU 9 1HG GLU 9 -16.374 -6.337 -1.258 78 2HG GLU 9 2HG GLU 9 -15.295 -6.272 0.135 79 H ILE 10 H ILE 10 -18.277 -4.033 2.760 80 HA ILE 10 HA ILE 10 -16.668 -2.054 1.432 81 HB ILE 10 HB ILE 10 -19.238 -2.073 2.963 82 1HG1 ILE 10 1HG1 ILE 10 -18.483 -0.734 0.367 83 2HG1 ILE 10 2HG1 ILE 10 -19.055 -2.394 0.479 84 1HG2 ILE 10 1HG2 ILE 10 -17.981 -0.185 3.949 85 2HG2 ILE 10 2HG2 ILE 10 -17.812 0.505 2.334 86 3HG2 ILE 10 3HG2 ILE 10 -19.414 0.316 3.050 87 1HD1 ILE 10 1HD1 ILE 10 -20.694 -0.214 1.667 88 2HD1 ILE 10 2HD1 ILE 10 -20.698 -0.452 -0.080 89 3HD1 ILE 10 3HD1 ILE 10 -21.195 -1.763 0.989 90 H SER 11 H SER 11 -17.361 -3.060 4.764 91 HA SER 11 HA SER 11 -15.765 -1.079 6.007 92 1HB SER 11 1HB SER 11 -17.269 -2.079 7.480 93 2HB SER 11 2HB SER 11 -16.930 -3.703 6.881 94 HG SER 11 HG SER 11 -15.757 -2.334 8.903 95 H HIS 12 H HIS 12 -15.090 -4.165 4.556 96 HA HIS 12 HA HIS 12 -12.495 -4.473 5.701 97 1HB HIS 12 1HB HIS 12 -12.975 -6.549 4.987 98 2HB HIS 12 2HB HIS 12 -14.252 -5.961 3.936 99 HD1 HIS 12 HD1 HIS 12 -10.543 -6.694 3.909 100 HD2 HIS 12 HD2 HIS 12 -13.670 -6.012 1.262 101 HE1 HIS 12 HE1 HIS 12 -9.619 -7.220 1.629 102 HE2 HIS 12 HE2 HIS 12 -11.530 -6.801 0.040 103 H HIS 13 H HIS 13 -13.675 -3.334 2.524 104 HA HIS 13 HA HIS 13 -11.151 -2.801 1.419 105 1HB HIS 13 1HB HIS 13 -13.734 -1.318 0.895 106 2HB HIS 13 2HB HIS 13 -12.307 -1.307 -0.133 107 HD1 HIS 13 HD1 HIS 13 -11.900 -4.501 0.159 108 HD2 HIS 13 HD2 HIS 13 -15.306 -2.465 -1.057 109 HE1 HIS 13 HE1 HIS 13 -13.202 -6.147 -1.229 110 HE2 HIS 13 HE2 HIS 13 -15.266 -4.895 -1.956 111 H ALA 14 H ALA 14 -13.089 -1.058 3.722 112 HA ALA 14 HA ALA 14 -11.823 1.465 3.466 113 1HB ALA 14 1HB ALA 14 -12.928 0.597 6.090 114 2HB ALA 14 2HB ALA 14 -14.028 0.723 4.716 115 3HB ALA 14 3HB ALA 14 -13.107 2.133 5.241 116 H LYS 15 H LYS 15 -11.419 -1.120 5.890 117 HA LYS 15 HA LYS 15 -9.127 0.064 7.074 118 1HB LYS 15 1HB LYS 15 -8.926 -1.949 8.338 119 2HB LYS 15 2HB LYS 15 -10.646 -1.622 8.164 120 1HG LYS 15 1HG LYS 15 -10.939 -3.645 7.326 121 2HG LYS 15 2HG LYS 15 -9.863 -3.249 5.985 122 1HD LYS 15 1HD LYS 15 -8.228 -4.524 6.808 123 2HD LYS 15 2HD LYS 15 -8.395 -3.821 8.418 124 1HE LYS 15 1HE LYS 15 -10.616 -5.358 8.310 125 2HE LYS 15 2HE LYS 15 -9.520 -6.303 7.303 126 1HZ LYS 15 1HZ LYS 15 -8.859 -5.351 10.035 127 2HZ LYS 15 2HZ LYS 15 -9.459 -6.894 9.690 128 3HZ LYS 15 3HZ LYS 15 -7.955 -6.417 9.082 129 H GLU 16 H GLU 16 -9.580 -1.595 4.144 130 HA GLU 16 HA GLU 16 -6.932 -2.725 4.004 131 1HB GLU 16 1HB GLU 16 -9.380 -2.792 2.382 132 2HB GLU 16 2HB GLU 16 -7.894 -2.785 1.442 133 1HG GLU 16 1HG GLU 16 -8.682 -4.764 3.565 134 2HG GLU 16 2HG GLU 16 -8.582 -5.047 1.828 135 H ILE 17 H ILE 17 -8.608 0.148 2.815 136 HA ILE 17 HA ILE 17 -6.428 0.959 1.120 137 HB ILE 17 HB ILE 17 -8.629 1.705 0.530 138 1HG1 ILE 17 1HG1 ILE 17 -6.585 3.261 0.274 139 2HG1 ILE 17 2HG1 ILE 17 -8.186 3.957 0.059 140 1HG2 ILE 17 1HG2 ILE 17 -8.738 2.628 3.355 141 2HG2 ILE 17 2HG2 ILE 17 -9.672 3.499 2.138 142 3HG2 ILE 17 3HG2 ILE 17 -9.946 1.775 2.393 143 1HD1 ILE 17 1HD1 ILE 17 -7.415 4.175 2.803 144 2HD1 ILE 17 2HD1 ILE 17 -6.140 4.819 1.768 145 3HD1 ILE 17 3HD1 ILE 17 -7.783 5.448 1.639 146 H GLU 18 H GLU 18 -7.467 1.600 4.411 147 HA GLU 18 HA GLU 18 -5.544 3.694 4.841 148 1HB GLU 18 1HB GLU 18 -7.828 2.818 6.156 149 2HB GLU 18 2HB GLU 18 -6.525 2.372 7.248 150 1HG GLU 18 1HG GLU 18 -5.731 4.664 7.275 151 2HG GLU 18 2HG GLU 18 -6.985 5.127 6.126 152 H ARG 19 H ARG 19 -5.769 0.240 5.523 153 HA ARG 19 HA ARG 19 -3.327 0.131 7.004 154 1HB ARG 19 1HB ARG 19 -5.071 -1.982 5.743 155 2HB ARG 19 2HB ARG 19 -3.573 -2.375 6.577 156 1HG ARG 19 1HG ARG 19 -5.895 -0.916 7.823 157 2HG ARG 19 2HG ARG 19 -5.581 -2.646 7.984 158 1HD ARG 19 1HD ARG 19 -3.392 -2.123 8.993 159 2HD ARG 19 2HD ARG 19 -3.774 -0.405 8.887 160 HE ARG 19 HE ARG 19 -5.856 -1.440 10.287 161 1HH1 ARG 19 1HH1 ARG 19 -2.394 -1.563 10.649 162 2HH1 ARG 19 2HH1 ARG 19 -2.449 -1.684 12.376 163 1HH2 ARG 19 1HH2 ARG 19 -5.940 -1.600 12.561 164 2HH2 ARG 19 2HH2 ARG 19 -4.465 -1.706 13.464 165 H LEU 20 H LEU 20 -4.201 -0.040 3.650 166 HA LEU 20 HA LEU 20 -1.776 -1.248 2.744 167 1HB LEU 20 1HB LEU 20 -4.148 0.011 1.505 168 2HB LEU 20 2HB LEU 20 -2.671 0.092 0.571 169 HG LEU 20 HG LEU 20 -2.520 -2.252 0.379 170 1HD1 LEU 20 1HD1 LEU 20 -3.942 -2.237 2.875 171 2HD1 LEU 20 2HD1 LEU 20 -4.714 -3.336 1.731 172 3HD1 LEU 20 3HD1 LEU 20 -3.005 -3.529 2.125 173 1HD2 LEU 20 1HD2 LEU 20 -5.372 -1.333 0.120 174 2HD2 LEU 20 2HD2 LEU 20 -4.140 -1.426 -1.138 175 3HD2 LEU 20 3HD2 LEU 20 -4.809 -2.905 -0.447 176 H GLN 21 H GLN 21 -2.960 2.062 3.101 177 HA GLN 21 HA GLN 21 -0.796 3.371 1.876 178 1HB GLN 21 1HB GLN 21 -3.086 4.303 2.653 179 2HB GLN 21 2HB GLN 21 -2.297 4.530 4.207 180 1HG GLN 21 1HG GLN 21 -0.731 6.053 3.290 181 2HG GLN 21 2HG GLN 21 -1.218 5.660 1.642 182 2HE2 GLN 21 2HE2 GLN 21 -2.370 7.069 4.663 183 1HE2 GLN 21 1HE2 GLN 21 -3.497 8.159 3.936 184 H LYS 22 H LYS 22 -1.386 2.527 5.281 185 HA LYS 22 HA LYS 22 1.007 3.626 6.289 186 1HB LYS 22 1HB LYS 22 -1.160 2.688 7.485 187 2HB LYS 22 2HB LYS 22 -0.208 1.212 7.561 188 1HG LYS 22 1HG LYS 22 1.623 2.826 8.531 189 2HG LYS 22 2HG LYS 22 0.218 3.819 8.924 190 1HD LYS 22 1HD LYS 22 0.318 2.562 10.825 191 2HD LYS 22 2HD LYS 22 -0.693 1.502 9.840 192 1HE LYS 22 1HE LYS 22 1.314 0.247 9.170 193 2HE LYS 22 2HE LYS 22 2.293 1.284 10.206 194 1HZ LYS 22 1HZ LYS 22 0.008 -0.087 11.412 195 2HZ LYS 22 2HZ LYS 22 1.372 -1.015 11.040 196 3HZ LYS 22 3HZ LYS 22 1.509 0.307 12.086 197 H GLU 23 H GLU 23 0.246 0.560 4.800 198 HA GLU 23 HA GLU 23 2.611 -0.809 5.559 199 1HB GLU 23 1HB GLU 23 0.345 -1.682 4.539 200 2HB GLU 23 2HB GLU 23 1.179 -1.438 3.010 201 1HG GLU 23 1HG GLU 23 1.887 -3.301 5.247 202 2HG GLU 23 2HG GLU 23 1.533 -3.683 3.564 203 H ILE 24 H ILE 24 1.769 1.276 2.854 204 HA ILE 24 HA ILE 24 4.076 0.713 1.307 205 HB ILE 24 HB ILE 24 3.360 2.268 -0.199 206 1HG1 ILE 24 1HG1 ILE 24 1.962 4.339 0.556 207 2HG1 ILE 24 2HG1 ILE 24 2.619 3.987 2.152 208 1HG2 ILE 24 1HG2 ILE 24 1.406 0.788 0.730 209 2HG2 ILE 24 2HG2 ILE 24 0.748 2.350 1.215 210 3HG2 ILE 24 3HG2 ILE 24 1.110 2.036 -0.481 211 1HD1 ILE 24 1HD1 ILE 24 4.748 3.933 0.270 212 2HD1 ILE 24 2HD1 ILE 24 3.817 5.414 0.036 213 3HD1 ILE 24 3HD1 ILE 24 4.488 5.036 1.624 214 H GLU 25 H GLU 25 3.331 3.144 3.751 215 HA GLU 25 HA GLU 25 5.666 4.674 3.544 216 1HB GLU 25 1HB GLU 25 3.414 4.792 5.077 217 2HB GLU 25 2HB GLU 25 4.609 4.296 6.269 218 1HG GLU 25 1HG GLU 25 5.549 6.312 6.329 219 2HG GLU 25 2HG GLU 25 5.532 6.471 4.572 220 H ARG 26 H ARG 26 4.944 1.793 5.477 221 HA ARG 26 HA ARG 26 7.309 1.645 6.936 222 1HB ARG 26 1HB ARG 26 5.060 -0.007 6.479 223 2HB ARG 26 2HB ARG 26 6.479 -0.992 6.148 224 1HG ARG 26 1HG ARG 26 7.232 -0.884 8.312 225 2HG ARG 26 2HG ARG 26 6.399 0.637 8.640 226 1HD ARG 26 1HD ARG 26 4.515 -0.398 9.283 227 2HD ARG 26 2HD ARG 26 4.612 -1.584 7.982 228 HE ARG 26 HE ARG 26 6.567 -2.345 9.710 229 1HH1 ARG 26 1HH1 ARG 26 3.158 -1.708 10.020 230 2HH1 ARG 26 2HH1 ARG 26 2.931 -2.842 11.309 231 1HH2 ARG 26 1HH2 ARG 26 6.281 -3.842 11.407 232 2HH2 ARG 26 2HH2 ARG 26 4.708 -4.055 12.099 233 H HIS 27 H HIS 27 6.530 0.233 3.768 234 HA HIS 27 HA HIS 27 9.038 -0.961 3.321 235 1HB HIS 27 1HB HIS 27 6.599 -0.590 1.871 236 2HB HIS 27 2HB HIS 27 7.946 -0.156 0.823 237 HD1 HIS 27 HD1 HIS 27 9.752 -2.062 0.408 238 HD2 HIS 27 HD2 HIS 27 6.247 -3.283 2.274 239 HE1 HIS 27 HE1 HIS 27 9.723 -4.569 0.208 240 HE2 HIS 27 HE2 HIS 27 7.593 -5.287 1.345 241 H LYS 28 H LYS 28 7.936 2.308 3.044 242 HA LYS 28 HA LYS 28 10.018 3.230 1.318 243 1HB LYS 28 1HB LYS 28 7.721 4.314 1.794 244 2HB LYS 28 2HB LYS 28 8.485 4.967 3.237 245 1HG LYS 28 1HG LYS 28 10.294 5.648 1.332 246 2HG LYS 28 2HG LYS 28 8.780 5.746 0.429 247 1HD LYS 28 1HD LYS 28 8.925 7.872 1.303 248 2HD LYS 28 2HD LYS 28 7.952 7.061 2.531 249 1HE LYS 28 1HE LYS 28 9.464 7.592 4.065 250 2HE LYS 28 2HE LYS 28 10.670 6.646 3.194 251 1HZ LYS 28 1HZ LYS 28 10.652 8.883 1.753 252 2HZ LYS 28 2HZ LYS 28 10.272 9.520 3.274 253 3HZ LYS 28 3HZ LYS 28 11.694 8.628 3.060 254 H GLN 29 H GLN 29 9.596 2.920 4.779 255 HA GLN 29 HA GLN 29 11.871 4.491 5.492 256 1HB GLN 29 1HB GLN 29 9.833 3.868 6.945 257 2HB GLN 29 2HB GLN 29 10.660 2.339 7.211 258 1HG GLN 29 1HG GLN 29 11.553 3.386 8.968 259 2HG GLN 29 2HG GLN 29 12.639 4.097 7.775 260 2HE2 GLN 29 2HE2 GLN 29 12.639 5.646 9.714 261 1HE2 GLN 29 1HE2 GLN 29 11.534 6.970 9.612 262 H SER 30 H SER 30 11.304 1.115 4.767 263 HA SER 30 HA SER 30 13.844 0.206 5.723 264 1HB SER 30 1HB SER 30 11.522 -0.982 4.323 265 2HB SER 30 2HB SER 30 13.078 -1.756 4.021 266 HG SER 30 HG SER 30 11.530 -2.071 6.110 267 H ILE 31 H ILE 31 12.529 1.107 2.562 268 HA ILE 31 HA ILE 31 14.936 0.410 1.168 269 HB ILE 31 HB ILE 31 12.622 0.429 0.178 270 1HG1 ILE 31 1HG1 ILE 31 15.104 0.782 -0.953 271 2HG1 ILE 31 2HG1 ILE 31 13.640 0.353 -1.816 272 1HG2 ILE 31 1HG2 ILE 31 12.093 2.721 1.122 273 2HG2 ILE 31 2HG2 ILE 31 13.025 3.375 -0.223 274 3HG2 ILE 31 3HG2 ILE 31 11.587 2.405 -0.537 275 1HD1 ILE 31 1HD1 ILE 31 13.293 2.845 -2.144 276 2HD1 ILE 31 2HD1 ILE 31 14.957 3.031 -1.587 277 3HD1 ILE 31 3HD1 ILE 31 14.611 2.085 -3.035 278 H LYS 32 H LYS 32 13.749 3.197 2.826 279 HA LYS 32 HA LYS 32 15.569 5.049 1.563 280 1HB LYS 32 1HB LYS 32 13.527 5.197 3.734 281 2HB LYS 32 2HB LYS 32 14.781 6.428 3.691 282 1HG LYS 32 1HG LYS 32 13.378 5.865 1.151 283 2HG LYS 32 2HG LYS 32 12.457 6.679 2.418 284 1HD LYS 32 1HD LYS 32 13.775 8.555 2.358 285 2HD LYS 32 2HD LYS 32 15.193 7.672 1.790 286 1HE LYS 32 1HE LYS 32 13.955 7.356 -0.394 287 2HE LYS 32 2HE LYS 32 12.781 8.527 0.207 288 1HZ LYS 32 1HZ LYS 32 14.985 9.898 0.610 289 2HZ LYS 32 2HZ LYS 32 15.535 8.938 -0.668 290 3HZ LYS 32 3HZ LYS 32 14.176 9.924 -0.875 291 H LYS 33 H LYS 33 15.469 3.049 4.427 292 HA LYS 33 HA LYS 33 17.772 4.269 5.650 293 1HB LYS 33 1HB LYS 33 15.761 2.845 6.682 294 2HB LYS 33 2HB LYS 33 16.895 1.528 6.414 295 1HG LYS 33 1HG LYS 33 18.521 2.538 7.833 296 2HG LYS 33 2HG LYS 33 17.574 4.023 7.951 297 1HD LYS 33 1HD LYS 33 15.931 3.000 9.279 298 2HD LYS 33 2HD LYS 33 16.479 1.377 8.855 299 1HE LYS 33 1HE LYS 33 18.537 1.727 10.105 300 2HE LYS 33 2HE LYS 33 18.038 3.372 10.493 301 1HZ LYS 33 1HZ LYS 33 16.459 0.991 11.276 302 2HZ LYS 33 2HZ LYS 33 17.651 1.666 12.269 303 3HZ LYS 33 3HZ LYS 33 16.292 2.576 11.838 304 H LEU 34 H LEU 34 17.127 1.573 3.526 305 HA LEU 34 HA LEU 34 19.742 0.413 3.790 306 1HB LEU 34 1HB LEU 34 17.351 -0.073 2.072 307 2HB LEU 34 2HB LEU 34 18.896 -0.724 1.560 308 HG LEU 34 HG LEU 34 17.986 -1.274 4.345 309 1HD1 LEU 34 1HD1 LEU 34 16.081 -1.686 2.676 310 2HD1 LEU 34 2HD1 LEU 34 17.085 -3.005 2.072 311 3HD1 LEU 34 3HD1 LEU 34 16.545 -3.005 3.751 312 1HD2 LEU 34 1HD2 LEU 34 20.223 -1.945 3.505 313 2HD2 LEU 34 2HD2 LEU 34 19.229 -3.305 4.026 314 3HD2 LEU 34 3HD2 LEU 34 19.425 -2.964 2.307 315 H LYS 35 H LYS 35 18.163 2.689 1.640 316 HA LYS 35 HA LYS 35 20.271 2.728 -0.297 317 1HB LYS 35 1HB LYS 35 17.728 3.473 -0.453 318 2HB LYS 35 2HB LYS 35 18.399 5.029 0.013 319 1HG LYS 35 1HG LYS 35 20.076 4.161 -2.009 320 2HG LYS 35 2HG LYS 35 18.465 3.670 -2.540 321 1HD LYS 35 1HD LYS 35 19.198 6.446 -1.614 322 2HD LYS 35 2HD LYS 35 19.103 5.943 -3.302 323 1HE LYS 35 1HE LYS 35 16.709 5.192 -1.903 324 2HE LYS 35 2HE LYS 35 17.030 6.911 -1.678 325 1HZ LYS 35 1HZ LYS 35 17.229 7.119 -4.102 326 2HZ LYS 35 2HZ LYS 35 16.818 5.486 -4.274 327 3HZ LYS 35 3HZ LYS 35 15.696 6.577 -3.633 328 H GLN 36 H GLN 36 19.475 4.549 2.592 329 HA GLN 36 HA GLN 36 21.508 6.543 2.133 330 1HB GLN 36 1HB GLN 36 19.346 6.098 4.038 331 2HB GLN 36 2HB GLN 36 20.811 6.683 4.816 332 1HG GLN 36 1HG GLN 36 20.158 8.140 2.384 333 2HG GLN 36 2HG GLN 36 18.890 8.225 3.606 334 2HE2 GLN 36 2HE2 GLN 36 22.438 8.352 3.471 335 1HE2 GLN 36 1HE2 GLN 36 22.599 9.713 4.523 336 H SER 37 H SER 37 21.257 3.473 3.714 337 HA SER 37 HA SER 37 23.659 3.816 5.281 338 1HB SER 37 1HB SER 37 21.675 1.614 4.871 339 2HB SER 37 2HB SER 37 23.265 1.213 5.519 340 HG SER 37 HG SER 37 22.093 1.685 7.284 341 H GLU 38 H GLU 38 22.775 2.595 2.158 342 HA GLU 38 HA GLU 38 25.205 1.111 1.747 343 1HB GLU 38 1HB GLU 38 22.824 0.879 0.611 344 2HB GLU 38 2HB GLU 38 23.507 2.030 -0.530 345 1HG GLU 38 1HG GLU 38 25.211 -0.279 0.109 346 2HG GLU 38 2HG GLU 38 23.720 -0.647 -0.755 347 H ASP 39 H ASP 39 24.135 4.373 1.295 348 HA ASP 39 HA ASP 39 26.156 5.111 -0.597 349 1HB ASP 39 1HB ASP 39 23.830 6.251 0.085 350 2HB ASP 39 2HB ASP 39 24.900 7.177 1.134 351 H ASP 40 H ASP 40 25.953 4.874 2.852 352 HA ASP 40 HA ASP 40 28.765 5.334 3.127 353 1HB ASP 40 1HB ASP 40 28.611 7.236 4.676 354 2HB ASP 40 2HB ASP 40 27.997 7.662 3.080 355 H ASP 41 H ASP 41 28.783 3.294 4.048 356 HA ASP 41 HA ASP 41 27.095 2.267 5.972 357 1HB ASP 41 1HB ASP 41 29.726 1.641 4.933 358 2HB ASP 41 2HB ASP 41 29.629 1.291 6.656 359 H1 ALA 1 H1 ALA 1 34.585 -10.592 -2.992 360 H2 ALA 1 H2 ALA 1 35.768 -9.371 -3.230 361 H3 ALA 1 H3 ALA 1 35.907 -10.449 -1.906 362 HA ALA 1 HA ALA 1 33.937 -9.585 -0.937 363 1HB ALA 1 1HB ALA 1 36.308 -8.519 -0.733 364 2HB ALA 1 2HB ALA 1 35.572 -7.183 -1.618 365 3HB ALA 1 3HB ALA 1 34.904 -7.686 -0.065 366 H LEU 2 H LEU 2 32.264 -9.874 -2.611 367 HA LEU 2 HA LEU 2 31.640 -7.362 -4.014 368 1HB LEU 2 1HB LEU 2 30.227 -9.901 -4.663 369 2HB LEU 2 2HB LEU 2 30.634 -8.551 -5.705 370 HG LEU 2 HG LEU 2 33.108 -9.431 -5.237 371 1HD1 LEU 2 1HD1 LEU 2 31.317 -11.634 -4.451 372 2HD1 LEU 2 2HD1 LEU 2 32.647 -12.063 -5.526 373 3HD1 LEU 2 3HD1 LEU 2 32.982 -11.293 -3.975 374 1HD2 LEU 2 1HD2 LEU 2 31.116 -10.463 -7.242 375 2HD2 LEU 2 2HD2 LEU 2 32.279 -9.152 -7.439 376 3HD2 LEU 2 3HD2 LEU 2 32.842 -10.819 -7.322 377 H LYS 3 H LYS 3 30.448 -6.220 -2.577 378 HA LYS 3 HA LYS 3 28.240 -7.560 -1.195 379 1HB LYS 3 1HB LYS 3 29.880 -5.154 -0.683 380 2HB LYS 3 2HB LYS 3 28.182 -5.024 -0.244 381 1HG LYS 3 1HG LYS 3 28.701 -6.008 1.671 382 2HG LYS 3 2HG LYS 3 28.970 -7.492 0.755 383 1HD LYS 3 1HD LYS 3 31.327 -6.278 0.339 384 2HD LYS 3 2HD LYS 3 30.917 -5.587 1.910 385 1HE LYS 3 1HE LYS 3 30.329 -8.335 2.064 386 2HE LYS 3 2HE LYS 3 31.903 -8.204 1.279 387 1HZ LYS 3 1HZ LYS 3 31.735 -6.434 3.488 388 2HZ LYS 3 2HZ LYS 3 31.369 -8.011 3.976 389 3HZ LYS 3 3HZ LYS 3 32.838 -7.685 3.205 390 H LYS 4 H LYS 4 27.705 -7.418 -3.812 391 HA LYS 4 HA LYS 4 26.129 -5.008 -4.303 392 1HB LYS 4 1HB LYS 4 25.963 -5.746 -6.579 393 2HB LYS 4 2HB LYS 4 27.638 -5.924 -6.073 394 1HG LYS 4 1HG LYS 4 26.602 -8.376 -5.470 395 2HG LYS 4 2HG LYS 4 25.706 -7.939 -6.927 396 1HD LYS 4 1HD LYS 4 27.976 -7.334 -7.930 397 2HD LYS 4 2HD LYS 4 28.679 -8.202 -6.563 398 1HE LYS 4 1HE LYS 4 26.752 -9.339 -8.587 399 2HE LYS 4 2HE LYS 4 28.488 -9.642 -8.527 400 1HZ LYS 4 1HZ LYS 4 27.200 -10.198 -6.035 401 2HZ LYS 4 2HZ LYS 4 26.553 -11.119 -7.299 402 3HZ LYS 4 3HZ LYS 4 28.210 -11.184 -6.969 403 H HIS 5 H HIS 5 25.391 -7.117 -2.327 404 HA HIS 5 HA HIS 5 23.019 -8.327 -3.490 405 1HB HIS 5 1HB HIS 5 23.704 -8.458 -0.573 406 2HB HIS 5 2HB HIS 5 22.890 -9.653 -1.576 407 HD1 HIS 5 HD1 HIS 5 25.216 -9.539 -3.820 408 HD2 HIS 5 HD2 HIS 5 25.660 -10.276 0.246 409 HE1 HIS 5 HE1 HIS 5 27.375 -10.809 -3.598 410 HE2 HIS 5 HE2 HIS 5 27.624 -11.246 -1.129 411 H HIS 6 H HIS 6 23.903 -5.740 -1.300 412 HA HIS 6 HA HIS 6 21.350 -5.233 -0.226 413 1HB HIS 6 1HB HIS 6 23.784 -3.489 -0.602 414 2HB HIS 6 2HB HIS 6 22.314 -2.893 0.161 415 HD1 HIS 6 HD1 HIS 6 22.947 -6.380 1.002 416 HD2 HIS 6 HD2 HIS 6 24.105 -2.665 2.463 417 HE1 HIS 6 HE1 HIS 6 23.835 -6.813 3.315 418 HE2 HIS 6 HE2 HIS 6 24.529 -4.550 4.182 419 H GLU 7 H GLU 7 22.955 -4.062 -3.146 420 HA GLU 7 HA GLU 7 21.041 -2.133 -3.861 421 1HB GLU 7 1HB GLU 7 23.009 -3.734 -5.496 422 2HB GLU 7 2HB GLU 7 21.973 -2.500 -6.201 423 1HG GLU 7 1HG GLU 7 22.959 -0.833 -4.693 424 2HG GLU 7 2HG GLU 7 24.025 -2.077 -4.042 425 H ASN 8 H ASN 8 21.043 -5.583 -4.052 426 HA ASN 8 HA ASN 8 19.034 -5.813 -6.080 427 1HB ASN 8 1HB ASN 8 20.708 -7.589 -4.590 428 2HB ASN 8 2HB ASN 8 19.039 -8.119 -4.407 429 2HD2 ASN 8 2HD2 ASN 8 19.330 -9.954 -5.630 430 1HD2 ASN 8 1HD2 ASN 8 19.551 -9.910 -7.343 431 H GLU 9 H GLU 9 18.981 -6.473 -2.571 432 HA GLU 9 HA GLU 9 16.153 -6.607 -2.415 433 1HB GLU 9 1HB GLU 9 17.839 -7.557 -0.766 434 2HB GLU 9 2HB GLU 9 18.027 -5.920 -0.152 435 1HG GLU 9 1HG GLU 9 16.375 -6.391 1.244 436 2HG GLU 9 2HG GLU 9 15.299 -6.294 -0.148 437 H ILE 10 H ILE 10 18.278 -4.000 -2.763 438 HA ILE 10 HA ILE 10 16.683 -2.028 -1.406 439 HB ILE 10 HB ILE 10 19.248 -2.046 -2.942 440 1HG1 ILE 10 1HG1 ILE 10 18.506 -0.714 -0.341 441 2HG1 ILE 10 2HG1 ILE 10 19.061 -2.380 -0.458 442 1HG2 ILE 10 1HG2 ILE 10 18.003 -0.146 -3.916 443 2HG2 ILE 10 2HG2 ILE 10 17.831 0.533 -2.297 444 3HG2 ILE 10 3HG2 ILE 10 19.434 0.345 -3.011 445 1HD1 ILE 10 1HD1 ILE 10 20.718 -0.204 -1.634 446 2HD1 ILE 10 2HD1 ILE 10 20.728 -0.468 0.110 447 3HD1 ILE 10 3HD1 ILE 10 21.207 -1.767 -0.983 448 H SER 11 H SER 11 17.329 -3.047 -4.733 449 HA SER 11 HA SER 11 15.741 -1.035 -5.960 450 1HB SER 11 1HB SER 11 17.259 -1.993 -7.445 451 2HB SER 11 2HB SER 11 16.948 -3.629 -6.864 452 HG SER 11 HG SER 11 15.783 -2.293 -8.892 453 H HIS 12 H HIS 12 15.093 -4.136 -4.538 454 HA HIS 12 HA HIS 12 12.510 -4.466 -5.710 455 1HB HIS 12 1HB HIS 12 13.009 -6.545 -5.021 456 2HB HIS 12 2HB HIS 12 14.273 -5.959 -3.955 457 HD1 HIS 12 HD1 HIS 12 10.563 -6.703 -3.956 458 HD2 HIS 12 HD2 HIS 12 13.684 -6.076 -1.288 459 HE1 HIS 12 HE1 HIS 12 9.631 -7.272 -1.690 460 HE2 HIS 12 HE2 HIS 12 11.539 -6.889 -0.088 461 H HIS 13 H HIS 13 13.656 -3.363 -2.505 462 HA HIS 13 HA HIS 13 11.107 -2.866 -1.433 463 1HB HIS 13 1HB HIS 13 13.659 -1.364 -0.817 464 2HB HIS 13 2HB HIS 13 12.213 -1.422 0.183 465 HD1 HIS 13 HD1 HIS 13 11.861 -4.593 -0.171 466 HD2 HIS 13 HD2 HIS 13 15.247 -2.553 1.094 467 HE1 HIS 13 HE1 HIS 13 13.170 -6.252 1.195 468 HE2 HIS 13 HE2 HIS 13 15.221 -4.996 1.951 469 H ALA 14 H ALA 14 13.090 -1.080 -3.662 470 HA ALA 14 HA ALA 14 11.828 1.440 -3.398 471 1HB ALA 14 1HB ALA 14 14.038 0.704 -4.640 472 2HB ALA 14 2HB ALA 14 12.948 0.588 -6.022 473 3HB ALA 14 3HB ALA 14 13.122 2.118 -5.162 474 H LYS 15 H LYS 15 11.427 -1.112 -5.858 475 HA LYS 15 HA LYS 15 9.149 0.096 -7.042 476 1HB LYS 15 1HB LYS 15 8.941 -1.905 -8.326 477 2HB LYS 15 2HB LYS 15 10.661 -1.589 -8.141 478 1HG LYS 15 1HG LYS 15 10.944 -3.617 -7.314 479 2HG LYS 15 2HG LYS 15 9.853 -3.232 -5.982 480 1HD LYS 15 1HD LYS 15 8.223 -4.494 -6.838 481 2HD LYS 15 2HD LYS 15 8.414 -3.777 -8.440 482 1HE LYS 15 1HE LYS 15 10.626 -5.319 -8.328 483 2HE LYS 15 2HE LYS 15 9.532 -6.268 -7.324 484 1HZ LYS 15 1HZ LYS 15 8.871 -5.313 -10.056 485 2HZ LYS 15 2HZ LYS 15 9.474 -6.855 -9.712 486 3HZ LYS 15 3HZ LYS 15 7.968 -6.382 -9.104 487 H GLU 16 H GLU 16 9.575 -1.607 -4.131 488 HA GLU 16 HA GLU 16 6.921 -2.720 -4.014 489 1HB GLU 16 1HB GLU 16 9.358 -2.801 -2.373 490 2HB GLU 16 2HB GLU 16 7.865 -2.801 -1.446 491 1HG GLU 16 1HG GLU 16 8.670 -4.763 -3.578 492 2HG GLU 16 2HG GLU 16 8.556 -5.060 -1.844 493 H ILE 17 H ILE 17 8.591 0.146 -2.817 494 HA ILE 17 HA ILE 17 6.419 0.958 -1.118 495 HB ILE 17 HB ILE 17 8.618 1.698 -0.527 496 1HG1 ILE 17 1HG1 ILE 17 6.585 3.266 -0.274 497 2HG1 ILE 17 2HG1 ILE 17 8.191 3.953 -0.062 498 1HG2 ILE 17 1HG2 ILE 17 8.740 2.631 -3.348 499 2HG2 ILE 17 2HG2 ILE 17 9.687 3.474 -2.121 500 3HG2 ILE 17 3HG2 ILE 17 9.933 1.749 -2.394 501 1HD1 ILE 17 1HD1 ILE 17 7.424 4.170 -2.805 502 2HD1 ILE 17 2HD1 ILE 17 6.150 4.823 -1.773 503 3HD1 ILE 17 3HD1 ILE 17 7.795 5.444 -1.642 504 H GLU 18 H GLU 18 7.464 1.610 -4.406 505 HA GLU 18 HA GLU 18 5.542 3.704 -4.833 506 1HB GLU 18 1HB GLU 18 7.828 2.830 -6.148 507 2HB GLU 18 2HB GLU 18 6.524 2.395 -7.243 508 1HG GLU 18 1HG GLU 18 5.740 4.688 -7.259 509 2HG GLU 18 2HG GLU 18 6.991 5.141 -6.103 510 H ARG 19 H ARG 19 5.768 0.254 -5.520 511 HA ARG 19 HA ARG 19 3.330 0.146 -7.010 512 1HB ARG 19 1HB ARG 19 5.073 -1.967 -5.749 513 2HB ARG 19 2HB ARG 19 3.579 -2.360 -6.587 514 1HG ARG 19 1HG ARG 19 5.904 -0.899 -7.820 515 2HG ARG 19 2HG ARG 19 5.586 -2.627 -7.991 516 1HD ARG 19 1HD ARG 19 3.403 -2.095 -9.006 517 2HD ARG 19 2HD ARG 19 3.786 -0.379 -8.887 518 HE ARG 19 HE ARG 19 5.872 -1.408 -10.287 519 1HH1 ARG 19 1HH1 ARG 19 2.412 -1.525 -10.661 520 2HH1 ARG 19 2HH1 ARG 19 2.471 -1.639 -12.388 521 1HH2 ARG 19 1HH2 ARG 19 5.963 -1.557 -12.562 522 2HH2 ARG 19 2HH2 ARG 19 4.491 -1.658 -13.469 523 H LEU 20 H LEU 20 4.197 -0.039 -3.653 524 HA LEU 20 HA LEU 20 1.771 -1.248 -2.757 525 1HB LEU 20 1HB LEU 20 4.138 0.007 -1.505 526 2HB LEU 20 2HB LEU 20 2.658 0.079 -0.574 527 HG LEU 20 HG LEU 20 2.513 -2.263 -0.389 528 1HD1 LEU 20 1HD1 LEU 20 3.934 -2.240 -2.887 529 2HD1 LEU 20 2HD1 LEU 20 4.699 -3.346 -1.748 530 3HD1 LEU 20 3HD1 LEU 20 2.990 -3.531 -2.144 531 1HD2 LEU 20 1HD2 LEU 20 5.365 -1.345 -0.135 532 2HD2 LEU 20 2HD2 LEU 20 4.136 -1.442 1.125 533 3HD2 LEU 20 3HD2 LEU 20 4.803 -2.918 0.428 534 H GLN 21 H GLN 21 2.957 2.061 -3.098 535 HA GLN 21 HA GLN 21 0.792 3.367 -1.869 536 1HB GLN 21 1HB GLN 21 3.085 4.300 -2.640 537 2HB GLN 21 2HB GLN 21 2.297 4.536 -4.194 538 1HG GLN 21 1HG GLN 21 0.733 6.055 -3.270 539 2HG GLN 21 2HG GLN 21 1.217 5.653 -1.623 540 2HE2 GLN 21 2HE2 GLN 21 2.372 7.081 -4.634 541 1HE2 GLN 21 1HE2 GLN 21 3.499 8.163 -3.899 542 H LYS 22 H LYS 22 1.388 2.532 -5.276 543 HA LYS 22 HA LYS 22 -1.003 3.637 -6.282 544 1HB LYS 22 1HB LYS 22 1.168 2.702 -7.478 545 2HB LYS 22 2HB LYS 22 0.210 1.230 -7.567 546 1HG LYS 22 1HG LYS 22 -1.612 2.858 -8.531 547 2HG LYS 22 2HG LYS 22 -0.202 3.848 -8.913 548 1HD LYS 22 1HD LYS 22 -0.311 2.603 -10.824 549 2HD LYS 22 2HD LYS 22 0.706 1.542 -9.847 550 1HE LYS 22 1HE LYS 22 -1.297 0.277 -9.178 551 2HE LYS 22 2HE LYS 22 -2.280 1.315 -10.209 552 1HZ LYS 22 1HZ LYS 22 0.010 -0.046 -11.419 553 2HZ LYS 22 2HZ LYS 22 -1.355 -0.976 -11.054 554 3HZ LYS 22 3HZ LYS 22 -1.490 0.350 -12.094 555 H GLU 23 H GLU 23 -0.244 0.572 -4.797 556 HA GLU 23 HA GLU 23 -2.608 -0.798 -5.568 557 1HB GLU 23 1HB GLU 23 -0.343 -1.674 -4.547 558 2HB GLU 23 2HB GLU 23 -1.180 -1.437 -3.020 559 1HG GLU 23 1HG GLU 23 -1.877 -3.294 -5.265 560 2HG GLU 23 2HG GLU 23 -1.533 -3.678 -3.579 561 H ILE 24 H ILE 24 -1.770 1.283 -2.860 562 HA ILE 24 HA ILE 24 -4.079 0.714 -1.315 563 HB ILE 24 HB ILE 24 -3.362 2.267 0.195 564 1HG1 ILE 24 1HG1 ILE 24 -1.965 4.340 -0.554 565 2HG1 ILE 24 2HG1 ILE 24 -2.622 3.991 -2.151 566 1HG2 ILE 24 1HG2 ILE 24 -1.408 0.788 -0.732 567 2HG2 ILE 24 2HG2 ILE 24 -0.750 2.351 -1.220 568 3HG2 ILE 24 3HG2 ILE 24 -1.111 2.037 0.477 569 1HD1 ILE 24 1HD1 ILE 24 -4.751 3.930 -0.270 570 2HD1 ILE 24 2HD1 ILE 24 -3.821 5.412 -0.031 571 3HD1 ILE 24 3HD1 ILE 24 -4.491 5.038 -1.619 572 H GLU 25 H GLU 25 -3.330 3.150 -3.754 573 HA GLU 25 HA GLU 25 -5.665 4.679 -3.548 574 1HB GLU 25 1HB GLU 25 -3.409 4.801 -5.076 575 2HB GLU 25 2HB GLU 25 -4.601 4.313 -6.272 576 1HG GLU 25 1HG GLU 25 -5.537 6.330 -6.325 577 2HG GLU 25 2HG GLU 25 -5.527 6.479 -4.568 578 H ARG 26 H ARG 26 -4.936 1.803 -5.485 579 HA ARG 26 HA ARG 26 -7.298 1.659 -6.951 580 1HB ARG 26 1HB ARG 26 -5.052 0.003 -6.491 581 2HB ARG 26 2HB ARG 26 -6.473 -0.980 -6.164 582 1HG ARG 26 1HG ARG 26 -7.220 -0.872 -8.329 583 2HG ARG 26 2HG ARG 26 -6.389 0.650 -8.654 584 1HD ARG 26 1HD ARG 26 -4.499 -0.381 -9.290 585 2HD ARG 26 2HD ARG 26 -4.603 -1.575 -7.997 586 HE ARG 26 HE ARG 26 -6.552 -2.326 -9.735 587 1HH1 ARG 26 1HH1 ARG 26 -3.144 -1.679 -10.038 588 2HH1 ARG 26 2HH1 ARG 26 -2.914 -2.801 -11.337 589 1HH2 ARG 26 1HH2 ARG 26 -6.260 -3.808 -11.445 590 2HH2 ARG 26 2HH2 ARG 26 -4.685 -4.012 -12.137 591 H HIS 27 H HIS 27 -6.525 0.240 -3.783 592 HA HIS 27 HA HIS 27 -9.041 -0.939 -3.340 593 1HB HIS 27 1HB HIS 27 -6.599 -0.580 -1.883 594 2HB HIS 27 2HB HIS 27 -7.951 -0.154 -0.840 595 HD1 HIS 27 HD1 HIS 27 -9.756 -2.064 -0.442 596 HD2 HIS 27 HD2 HIS 27 -6.243 -3.271 -2.307 597 HE1 HIS 27 HE1 HIS 27 -9.725 -4.573 -0.259 598 HE2 HIS 27 HE2 HIS 27 -7.590 -5.282 -1.395 599 H LYS 28 H LYS 28 -7.898 2.317 -3.054 600 HA LYS 28 HA LYS 28 -9.975 3.263 -1.340 601 1HB LYS 28 1HB LYS 28 -7.665 4.320 -1.805 602 2HB LYS 28 2HB LYS 28 -8.419 4.989 -3.246 603 1HG LYS 28 1HG LYS 28 -10.220 5.655 -1.310 604 2HG LYS 28 2HG LYS 28 -8.686 5.772 -0.445 605 1HD LYS 28 1HD LYS 28 -8.874 7.893 -1.326 606 2HD LYS 28 2HD LYS 28 -7.922 7.084 -2.572 607 1HE LYS 28 1HE LYS 28 -9.474 7.593 -4.074 608 2HE LYS 28 2HE LYS 28 -10.649 6.638 -3.170 609 1HZ LYS 28 1HZ LYS 28 -10.645 8.868 -1.736 610 2HZ LYS 28 2HZ LYS 28 -10.268 9.519 -3.251 611 3HZ LYS 28 3HZ LYS 28 -11.686 8.619 -3.047 612 H GLN 29 H GLN 29 -9.607 2.811 -4.770 613 HA GLN 29 HA GLN 29 -11.832 4.461 -5.511 614 1HB GLN 29 1HB GLN 29 -9.810 3.747 -6.960 615 2HB GLN 29 2HB GLN 29 -10.701 2.251 -7.208 616 1HG GLN 29 1HG GLN 29 -11.510 3.348 -8.989 617 2HG GLN 29 2HG GLN 29 -12.620 4.031 -7.802 618 2HE2 GLN 29 2HE2 GLN 29 -12.600 5.631 -9.687 619 1HE2 GLN 29 1HE2 GLN 29 -11.495 6.951 -9.542 620 H SER 30 H SER 30 -11.321 1.075 -4.760 621 HA SER 30 HA SER 30 -13.892 0.199 -5.657 622 1HB SER 30 1HB SER 30 -11.593 -0.997 -4.215 623 2HB SER 30 2HB SER 30 -13.165 -1.740 -3.924 624 HG SER 30 HG SER 30 -11.572 -2.000 -6.045 625 H ILE 31 H ILE 31 -12.525 1.141 -2.537 626 HA ILE 31 HA ILE 31 -14.876 0.536 -1.032 627 HB ILE 31 HB ILE 31 -12.794 0.545 0.126 628 1HG1 ILE 31 1HG1 ILE 31 -13.158 2.447 1.840 629 2HG1 ILE 31 2HG1 ILE 31 -14.598 2.827 0.910 630 1HG2 ILE 31 1HG2 ILE 31 -12.177 2.725 -1.511 631 2HG2 ILE 31 2HG2 ILE 31 -12.121 3.337 0.139 632 3HG2 ILE 31 3HG2 ILE 31 -11.136 1.949 -0.318 633 1HD1 ILE 31 1HD1 ILE 31 -14.020 0.151 2.132 634 2HD1 ILE 31 2HD1 ILE 31 -15.009 1.406 2.876 635 3HD1 ILE 31 3HD1 ILE 31 -15.517 0.670 1.358 636 H LYS 32 H LYS 32 -13.728 3.312 -2.802 637 HA LYS 32 HA LYS 32 -15.614 5.140 -1.625 638 1HB LYS 32 1HB LYS 32 -13.598 5.284 -3.831 639 2HB LYS 32 2HB LYS 32 -14.847 6.518 -3.731 640 1HG LYS 32 1HG LYS 32 -13.358 5.909 -1.248 641 2HG LYS 32 2HG LYS 32 -12.489 6.755 -2.530 642 1HD LYS 32 1HD LYS 32 -13.781 8.630 -2.357 643 2HD LYS 32 2HD LYS 32 -15.203 7.732 -1.823 644 1HE LYS 32 1HE LYS 32 -13.970 7.328 0.347 645 2HE LYS 32 2HE LYS 32 -12.784 8.508 -0.208 646 1HZ LYS 32 1HZ LYS 32 -14.992 9.902 -0.566 647 2HZ LYS 32 2HZ LYS 32 -15.525 8.913 0.698 648 3HZ LYS 32 3HZ LYS 32 -14.160 9.890 0.909 649 H LYS 33 H LYS 33 -15.477 3.081 -4.449 650 HA LYS 33 HA LYS 33 -17.803 4.249 -5.681 651 1HB LYS 33 1HB LYS 33 -15.760 2.848 -6.698 652 2HB LYS 33 2HB LYS 33 -16.891 1.526 -6.446 653 1HG LYS 33 1HG LYS 33 -18.512 2.543 -7.868 654 2HG LYS 33 2HG LYS 33 -17.564 4.027 -7.976 655 1HD LYS 33 1HD LYS 33 -15.913 3.004 -9.297 656 2HD LYS 33 2HD LYS 33 -16.470 1.381 -8.885 657 1HE LYS 33 1HE LYS 33 -18.515 1.743 -10.149 658 2HE LYS 33 2HE LYS 33 -18.013 3.392 -10.520 659 1HZ LYS 33 1HZ LYS 33 -16.427 1.017 -11.311 660 2HZ LYS 33 2HZ LYS 33 -17.616 1.697 -12.306 661 3HZ LYS 33 3HZ LYS 33 -16.261 2.607 -11.863 662 H LEU 34 H LEU 34 -17.118 1.614 -3.504 663 HA LEU 34 HA LEU 34 -19.718 0.403 -3.782 664 1HB LEU 34 1HB LEU 34 -17.301 -0.074 -2.105 665 2HB LEU 34 2HB LEU 34 -18.833 -0.723 -1.551 666 HG LEU 34 HG LEU 34 -17.968 -1.285 -4.352 667 1HD1 LEU 34 1HD1 LEU 34 -16.059 -1.722 -2.694 668 2HD1 LEU 34 2HD1 LEU 34 -17.077 -3.026 -2.083 669 3HD1 LEU 34 3HD1 LEU 34 -16.548 -3.034 -3.765 670 1HD2 LEU 34 1HD2 LEU 34 -20.209 -1.923 -3.498 671 2HD2 LEU 34 2HD2 LEU 34 -19.236 -3.297 -4.024 672 3HD2 LEU 34 3HD2 LEU 34 -19.418 -2.953 -2.304 673 H LYS 35 H LYS 35 -18.177 2.739 -1.692 674 HA LYS 35 HA LYS 35 -20.277 2.730 0.272 675 1HB LYS 35 1HB LYS 35 -17.734 3.476 0.442 676 2HB LYS 35 2HB LYS 35 -18.407 5.036 -0.013 677 1HG LYS 35 1HG LYS 35 -20.089 4.156 1.995 678 2HG LYS 35 2HG LYS 35 -18.482 3.652 2.527 679 1HD LYS 35 1HD LYS 35 -19.207 6.440 1.628 680 2HD LYS 35 2HD LYS 35 -19.107 5.919 3.311 681 1HE LYS 35 1HE LYS 35 -16.719 5.176 1.899 682 2HE LYS 35 2HE LYS 35 -17.036 6.898 1.688 683 1HZ LYS 35 1HZ LYS 35 -17.230 7.087 4.114 684 2HZ LYS 35 2HZ LYS 35 -16.821 5.452 4.273 685 3HZ LYS 35 3HZ LYS 35 -15.699 6.547 3.636 686 H GLN 36 H GLN 36 -19.487 4.547 -2.615 687 HA GLN 36 HA GLN 36 -21.516 6.546 -2.150 688 1HB GLN 36 1HB GLN 36 -19.356 6.101 -4.060 689 2HB GLN 36 2HB GLN 36 -20.821 6.696 -4.829 690 1HG GLN 36 1HG GLN 36 -20.154 8.136 -2.393 691 2HG GLN 36 2HG GLN 36 -18.890 8.224 -3.620 692 2HE2 GLN 36 2HE2 GLN 36 -22.439 8.354 -3.479 693 1HE2 GLN 36 1HE2 GLN 36 -22.599 9.725 -4.519 694 H SER 37 H SER 37 -21.254 3.484 -3.753 695 HA SER 37 HA SER 37 -23.660 3.824 -5.312 696 1HB SER 37 1HB SER 37 -21.672 1.625 -4.908 697 2HB SER 37 2HB SER 37 -23.260 1.223 -5.560 698 HG SER 37 HG SER 37 -22.083 1.703 -7.320 699 H GLU 38 H GLU 38 -22.771 2.592 -2.195 700 HA GLU 38 HA GLU 38 -25.198 1.102 -1.788 701 1HB GLU 38 1HB GLU 38 -22.814 0.875 -0.652 702 2HB GLU 38 2HB GLU 38 -23.504 2.016 0.494 703 1HG GLU 38 1HG GLU 38 -25.193 -0.299 -0.160 704 2HG GLU 38 2HG GLU 38 -23.703 -0.659 0.709 705 H ASP 39 H ASP 39 -24.137 4.364 -1.321 706 HA ASP 39 HA ASP 39 -26.163 5.089 0.571 707 1HB ASP 39 1HB ASP 39 -23.835 6.236 -0.100 708 2HB ASP 39 2HB ASP 39 -24.906 7.167 -1.145 709 H ASP 40 H ASP 40 -25.951 4.869 -2.877 710 HA ASP 40 HA ASP 40 -28.764 5.328 -3.156 711 1HB ASP 40 1HB ASP 40 -28.608 7.237 -4.696 712 2HB ASP 40 2HB ASP 40 -27.997 7.656 -3.099 713 H ASP 41 H ASP 41 -28.780 3.293 -4.086 714 HA ASP 41 HA ASP 41 -27.088 2.274 -6.011 715 1HB ASP 41 1HB ASP 41 -29.721 1.644 -4.981 716 2HB ASP 41 2HB ASP 41 -29.620 1.301 -6.705 No H/Q in entry = 716 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -30.248 -14.438 3.540 2 H2 ALA 1 H2 ALA 1 -30.969 -15.890 2.978 3 H3 ALA 1 H3 ALA 1 -29.829 -15.065 1.999 4 HA ALA 1 HA ALA 1 -31.938 -14.635 1.146 5 1HB ALA 1 1HB ALA 1 -32.615 -14.182 4.016 6 2HB ALA 1 2HB ALA 1 -33.472 -15.117 2.791 7 3HB ALA 1 3HB ALA 1 -33.540 -13.355 2.762 8 H LEU 2 H LEU 2 -31.512 -12.288 3.769 9 HA LEU 2 HA LEU 2 -31.548 -10.043 2.123 10 1HB LEU 2 1HB LEU 2 -30.372 -10.467 4.865 11 2HB LEU 2 2HB LEU 2 -30.430 -8.895 4.088 12 HG LEU 2 HG LEU 2 -32.285 -8.925 5.520 13 1HD1 LEU 2 1HD1 LEU 2 -32.766 -8.189 3.192 14 2HD1 LEU 2 2HD1 LEU 2 -33.402 -9.800 2.863 15 3HD1 LEU 2 3HD1 LEU 2 -34.180 -8.773 4.067 16 1HD2 LEU 2 1HD2 LEU 2 -32.116 -11.506 5.719 17 2HD2 LEU 2 2HD2 LEU 2 -33.674 -10.718 5.968 18 3HD2 LEU 2 3HD2 LEU 2 -33.322 -11.509 4.432 19 H LYS 3 H LYS 3 -29.614 -8.412 2.163 20 HA LYS 3 HA LYS 3 -27.447 -9.732 0.761 21 1HB LYS 3 1HB LYS 3 -28.277 -6.871 1.139 22 2HB LYS 3 2HB LYS 3 -26.684 -7.262 0.505 23 1HG LYS 3 1HG LYS 3 -27.587 -7.392 -1.510 24 2HG LYS 3 2HG LYS 3 -28.483 -8.812 -0.971 25 1HD LYS 3 1HD LYS 3 -30.233 -7.229 -0.085 26 2HD LYS 3 2HD LYS 3 -29.378 -5.937 -0.927 27 1HE LYS 3 1HE LYS 3 -31.297 -6.892 -2.200 28 2HE LYS 3 2HE LYS 3 -29.753 -6.974 -3.048 29 1HZ LYS 3 1HZ LYS 3 -30.776 -9.249 -1.460 30 2HZ LYS 3 2HZ LYS 3 -31.209 -9.033 -3.081 31 3HZ LYS 3 3HZ LYS 3 -29.585 -9.256 -2.662 32 H LYS 4 H LYS 4 -27.098 -6.910 2.854 33 HA LYS 4 HA LYS 4 -25.513 -6.389 4.408 34 1HB LYS 4 1HB LYS 4 -25.731 -9.207 5.419 35 2HB LYS 4 2HB LYS 4 -25.540 -7.717 6.333 36 1HG LYS 4 1HG LYS 4 -28.027 -8.267 4.757 37 2HG LYS 4 2HG LYS 4 -27.810 -8.894 6.391 38 1HD LYS 4 1HD LYS 4 -27.091 -6.133 6.356 39 2HD LYS 4 2HD LYS 4 -28.675 -6.319 5.604 40 1HE LYS 4 1HE LYS 4 -27.822 -7.202 8.353 41 2HE LYS 4 2HE LYS 4 -29.024 -5.981 7.937 42 1HZ LYS 4 1HZ LYS 4 -29.731 -8.407 6.713 43 2HZ LYS 4 2HZ LYS 4 -29.420 -8.711 8.346 44 3HZ LYS 4 3HZ LYS 4 -30.567 -7.548 7.907 45 H HIS 5 H HIS 5 -24.616 -7.674 1.874 46 HA HIS 5 HA HIS 5 -22.118 -8.924 2.783 47 1HB HIS 5 1HB HIS 5 -21.902 -9.479 0.282 48 2HB HIS 5 2HB HIS 5 -23.129 -10.342 1.203 49 HD1 HIS 5 HD1 HIS 5 -25.201 -10.572 -0.105 50 HD2 HIS 5 HD2 HIS 5 -23.283 -6.970 -0.894 51 HE1 HIS 5 HE1 HIS 5 -26.651 -9.392 -1.787 52 HE2 HIS 5 HE2 HIS 5 -25.472 -7.214 -2.250 53 H HIS 6 H HIS 6 -23.450 -6.202 1.067 54 HA HIS 6 HA HIS 6 -20.966 -5.261 0.010 55 1HB HIS 6 1HB HIS 6 -23.744 -4.185 0.222 56 2HB HIS 6 2HB HIS 6 -22.433 -3.056 -0.101 57 HD1 HIS 6 HD1 HIS 6 -21.482 -6.096 -1.675 58 HD2 HIS 6 HD2 HIS 6 -24.146 -3.045 -2.602 59 HE1 HIS 6 HE1 HIS 6 -21.898 -6.296 -4.147 60 HE2 HIS 6 HE2 HIS 6 -23.513 -4.439 -4.687 61 H GLU 7 H GLU 7 -22.859 -4.627 2.915 62 HA GLU 7 HA GLU 7 -21.405 -2.404 3.840 63 1HB GLU 7 1HB GLU 7 -23.546 -2.923 4.811 64 2HB GLU 7 2HB GLU 7 -22.982 -4.507 5.329 65 1HG GLU 7 1HG GLU 7 -21.454 -2.212 6.353 66 2HG GLU 7 2HG GLU 7 -23.114 -2.354 6.930 67 H ASN 8 H ASN 8 -20.848 -5.849 4.065 68 HA ASN 8 HA ASN 8 -18.783 -5.714 6.020 69 1HB ASN 8 1HB ASN 8 -19.608 -7.815 4.019 70 2HB ASN 8 2HB ASN 8 -18.205 -8.030 5.062 71 2HD2 ASN 8 2HD2 ASN 8 -19.785 -9.915 5.514 72 1HD2 ASN 8 1HD2 ASN 8 -20.823 -9.686 6.876 73 H GLU 9 H GLU 9 -18.688 -6.247 2.494 74 HA GLU 9 HA GLU 9 -15.910 -6.070 2.218 75 1HB GLU 9 1HB GLU 9 -18.184 -6.243 0.492 76 2HB GLU 9 2HB GLU 9 -17.121 -4.981 -0.112 77 1HG GLU 9 1HG GLU 9 -16.516 -7.018 -1.172 78 2HG GLU 9 2HG GLU 9 -15.243 -6.610 -0.023 79 H ILE 10 H ILE 10 -18.266 -3.651 2.842 80 HA ILE 10 HA ILE 10 -16.859 -1.428 1.771 81 HB ILE 10 HB ILE 10 -19.397 -1.879 2.863 82 1HG1 ILE 10 1HG1 ILE 10 -19.017 0.909 2.395 83 2HG1 ILE 10 2HG1 ILE 10 -18.057 0.001 1.233 84 1HG2 ILE 10 1HG2 ILE 10 -18.627 -1.297 5.103 85 2HG2 ILE 10 2HG2 ILE 10 -18.033 0.250 4.503 86 3HG2 ILE 10 3HG2 ILE 10 -19.762 -0.100 4.481 87 1HD1 ILE 10 1HD1 ILE 10 -20.671 -1.156 1.497 88 2HD1 ILE 10 2HD1 ILE 10 -20.782 0.563 1.114 89 3HD1 ILE 10 3HD1 ILE 10 -19.863 -0.517 0.066 90 H SER 11 H SER 11 -17.250 -2.670 5.087 91 HA SER 11 HA SER 11 -15.509 -0.806 6.290 92 1HB SER 11 1HB SER 11 -15.744 -2.064 8.259 93 2HB SER 11 2HB SER 11 -17.249 -2.371 7.391 94 HG SER 11 HG SER 11 -15.364 -4.116 8.172 95 H HIS 12 H HIS 12 -14.941 -3.719 4.514 96 HA HIS 12 HA HIS 12 -12.297 -4.139 5.538 97 1HB HIS 12 1HB HIS 12 -12.768 -6.171 4.724 98 2HB HIS 12 2HB HIS 12 -14.162 -5.551 3.858 99 HD1 HIS 12 HD1 HIS 12 -10.403 -5.863 3.335 100 HD2 HIS 12 HD2 HIS 12 -13.952 -5.778 1.179 101 HE1 HIS 12 HE1 HIS 12 -9.750 -6.330 0.951 102 HE2 HIS 12 HE2 HIS 12 -11.915 -6.279 -0.338 103 H HIS 13 H HIS 13 -13.669 -2.658 2.607 104 HA HIS 13 HA HIS 13 -11.156 -2.124 1.399 105 1HB HIS 13 1HB HIS 13 -13.673 -0.513 0.989 106 2HB HIS 13 2HB HIS 13 -12.322 -0.690 -0.119 107 HD1 HIS 13 HD1 HIS 13 -12.246 -3.894 0.205 108 HD2 HIS 13 HD2 HIS 13 -15.501 -1.515 -0.782 109 HE1 HIS 13 HE1 HIS 13 -13.828 -5.409 -1.037 110 HE2 HIS 13 HE2 HIS 13 -15.798 -3.948 -1.625 111 H ALA 14 H ALA 14 -12.996 -0.591 3.899 112 HA ALA 14 HA ALA 14 -11.781 1.977 3.744 113 1HB ALA 14 1HB ALA 14 -12.704 2.292 6.023 114 2HB ALA 14 2HB ALA 14 -13.904 1.714 4.866 115 3HB ALA 14 3HB ALA 14 -13.190 0.596 6.028 116 H LYS 15 H LYS 15 -11.306 -0.768 5.968 117 HA LYS 15 HA LYS 15 -8.981 0.349 7.166 118 1HB LYS 15 1HB LYS 15 -10.368 -2.287 7.226 119 2HB LYS 15 2HB LYS 15 -8.687 -2.243 7.742 120 1HG LYS 15 1HG LYS 15 -10.782 -0.410 8.871 121 2HG LYS 15 2HG LYS 15 -10.418 -1.996 9.555 122 1HD LYS 15 1HD LYS 15 -8.772 -1.060 10.719 123 2HD LYS 15 2HD LYS 15 -7.945 -0.714 9.199 124 1HE LYS 15 1HE LYS 15 -8.109 1.430 9.828 125 2HE LYS 15 2HE LYS 15 -9.784 1.294 9.298 126 1HZ LYS 15 1HZ LYS 15 -9.392 0.373 11.982 127 2HZ LYS 15 2HZ LYS 15 -8.955 1.996 11.789 128 3HZ LYS 15 3HZ LYS 15 -10.514 1.485 11.377 129 H GLU 16 H GLU 16 -9.536 -1.085 4.146 130 HA GLU 16 HA GLU 16 -6.910 -2.226 3.837 131 1HB GLU 16 1HB GLU 16 -9.418 -2.237 2.365 132 2HB GLU 16 2HB GLU 16 -8.035 -1.999 1.306 133 1HG GLU 16 1HG GLU 16 -8.777 -4.379 1.671 134 2HG GLU 16 2HG GLU 16 -7.065 -4.042 1.930 135 H ILE 17 H ILE 17 -8.614 0.717 2.817 136 HA ILE 17 HA ILE 17 -6.433 1.628 1.182 137 HB ILE 17 HB ILE 17 -8.616 2.440 0.638 138 1HG1 ILE 17 1HG1 ILE 17 -6.874 4.601 1.837 139 2HG1 ILE 17 2HG1 ILE 17 -6.892 4.045 0.167 140 1HG2 ILE 17 1HG2 ILE 17 -8.721 3.385 3.490 141 2HG2 ILE 17 2HG2 ILE 17 -9.830 3.966 2.247 142 3HG2 ILE 17 3HG2 ILE 17 -9.798 2.255 2.668 143 1HD1 ILE 17 1HD1 ILE 17 -9.340 4.855 0.173 144 2HD1 ILE 17 2HD1 ILE 17 -8.863 5.762 1.607 145 3HD1 ILE 17 3HD1 ILE 17 -8.040 6.043 0.072 146 H GLU 18 H GLU 18 -7.438 2.053 4.516 147 HA GLU 18 HA GLU 18 -5.531 4.121 5.079 148 1HB GLU 18 1HB GLU 18 -7.698 2.822 6.453 149 2HB GLU 18 2HB GLU 18 -6.274 2.841 7.484 150 1HG GLU 18 1HG GLU 18 -6.125 5.209 7.374 151 2HG GLU 18 2HG GLU 18 -7.349 5.286 6.108 152 H ARG 19 H ARG 19 -5.704 0.620 5.573 153 HA ARG 19 HA ARG 19 -3.206 0.471 6.958 154 1HB ARG 19 1HB ARG 19 -4.961 -1.608 5.653 155 2HB ARG 19 2HB ARG 19 -3.440 -2.012 6.435 156 1HG ARG 19 1HG ARG 19 -5.785 -0.679 7.773 157 2HG ARG 19 2HG ARG 19 -5.364 -2.389 7.897 158 1HD ARG 19 1HD ARG 19 -4.354 -1.613 9.790 159 2HD ARG 19 2HD ARG 19 -3.032 -1.393 8.642 160 HE ARG 19 HE ARG 19 -4.738 0.905 8.884 161 1HH1 ARG 19 1HH1 ARG 19 -1.987 -0.767 10.213 162 2HH1 ARG 19 2HH1 ARG 19 -1.300 0.657 10.920 163 1HH2 ARG 19 1HH2 ARG 19 -3.840 2.787 9.810 164 2HH2 ARG 19 2HH2 ARG 19 -2.353 2.677 10.691 165 H LEU 20 H LEU 20 -4.175 0.529 3.641 166 HA LEU 20 HA LEU 20 -1.789 -0.642 2.583 167 1HB LEU 20 1HB LEU 20 -4.194 0.693 1.496 168 2HB LEU 20 2HB LEU 20 -2.747 0.826 0.524 169 HG LEU 20 HG LEU 20 -4.358 -1.104 0.022 170 1HD1 LEU 20 1HD1 LEU 20 -2.015 -0.834 -0.818 171 2HD1 LEU 20 2HD1 LEU 20 -1.487 -1.849 0.524 172 3HD1 LEU 20 3HD1 LEU 20 -2.577 -2.501 -0.698 173 1HD2 LEU 20 1HD2 LEU 20 -3.922 -1.648 2.724 174 2HD2 LEU 20 2HD2 LEU 20 -4.739 -2.676 1.547 175 3HD2 LEU 20 3HD2 LEU 20 -3.014 -2.881 1.852 176 H GLN 21 H GLN 21 -2.939 2.632 3.223 177 HA GLN 21 HA GLN 21 -0.811 4.017 2.003 178 1HB GLN 21 1HB GLN 21 -2.781 4.706 4.163 179 2HB GLN 21 2HB GLN 21 -1.478 5.817 3.766 180 1HG GLN 21 1HG GLN 21 -2.499 5.236 1.303 181 2HG GLN 21 2HG GLN 21 -3.939 5.207 2.320 182 2HE2 GLN 21 2HE2 GLN 21 -1.275 7.151 1.176 183 1HE2 GLN 21 1HE2 GLN 21 -1.969 8.684 1.567 184 H LYS 22 H LYS 22 -1.318 3.015 5.384 185 HA LYS 22 HA LYS 22 1.146 3.989 6.352 186 1HB LYS 22 1HB LYS 22 -1.037 2.324 7.340 187 2HB LYS 22 2HB LYS 22 0.529 1.815 7.959 188 1HG LYS 22 1HG LYS 22 -0.543 4.623 8.126 189 2HG LYS 22 2HG LYS 22 -0.636 3.428 9.420 190 1HD LYS 22 1HD LYS 22 1.306 4.361 10.082 191 2HD LYS 22 2HD LYS 22 2.003 3.325 8.834 192 1HE LYS 22 1HE LYS 22 2.552 5.069 7.543 193 2HE LYS 22 2HE LYS 22 0.999 5.862 7.803 194 1HZ LYS 22 1HZ LYS 22 2.400 6.022 10.193 195 2HZ LYS 22 2HZ LYS 22 3.496 6.444 8.974 196 3HZ LYS 22 3HZ LYS 22 2.035 7.282 9.126 197 H GLU 23 H GLU 23 0.236 1.069 4.699 198 HA GLU 23 HA GLU 23 2.546 -0.456 5.328 199 1HB GLU 23 1HB GLU 23 0.162 -0.781 3.768 200 2HB GLU 23 2HB GLU 23 1.550 -1.257 2.799 201 1HG GLU 23 1HG GLU 23 1.295 -3.237 3.792 202 2HG GLU 23 2HG GLU 23 2.108 -2.476 5.158 203 H ILE 24 H ILE 24 1.748 1.833 2.773 204 HA ILE 24 HA ILE 24 4.012 1.284 1.162 205 HB ILE 24 HB ILE 24 3.346 2.971 -0.227 206 1HG1 ILE 24 1HG1 ILE 24 2.018 5.023 0.683 207 2HG1 ILE 24 2HG1 ILE 24 2.672 4.540 2.246 208 1HG2 ILE 24 1HG2 ILE 24 1.345 1.492 0.651 209 2HG2 ILE 24 2HG2 ILE 24 0.740 3.061 1.184 210 3HG2 ILE 24 3HG2 ILE 24 1.103 2.788 -0.520 211 1HD1 ILE 24 1HD1 ILE 24 4.798 4.546 0.372 212 2HD1 ILE 24 2HD1 ILE 24 3.906 6.060 0.206 213 3HD1 ILE 24 3HD1 ILE 24 4.557 5.588 1.776 214 H GLU 25 H GLU 25 3.389 3.575 3.770 215 HA GLU 25 HA GLU 25 5.776 5.029 3.632 216 1HB GLU 25 1HB GLU 25 3.621 5.341 5.107 217 2HB GLU 25 2HB GLU 25 4.523 4.386 6.276 218 1HG GLU 25 1HG GLU 25 6.154 6.012 6.539 219 2HG GLU 25 2HG GLU 25 5.756 6.797 5.012 220 H ARG 26 H ARG 26 4.978 2.041 5.362 221 HA ARG 26 HA ARG 26 7.360 1.703 6.762 222 1HB ARG 26 1HB ARG 26 5.094 0.305 6.664 223 2HB ARG 26 2HB ARG 26 6.049 -0.699 5.582 224 1HG ARG 26 1HG ARG 26 6.117 -1.507 7.888 225 2HG ARG 26 2HG ARG 26 7.715 -1.029 7.311 226 1HD ARG 26 1HD ARG 26 7.136 -0.290 9.647 227 2HD ARG 26 2HD ARG 26 7.658 0.988 8.551 228 HE ARG 26 HE ARG 26 5.593 1.948 8.752 229 1HH1 ARG 26 1HH1 ARG 26 5.420 -1.351 9.855 230 2HH1 ARG 26 2HH1 ARG 26 3.801 -1.204 10.451 231 1HH2 ARG 26 1HH2 ARG 26 3.460 2.153 9.535 232 2HH2 ARG 26 2HH2 ARG 26 2.686 0.789 10.269 233 H HIS 27 H HIS 27 6.477 0.571 3.508 234 HA HIS 27 HA HIS 27 8.936 -0.681 2.939 235 1HB HIS 27 1HB HIS 27 6.508 0.025 1.489 236 2HB HIS 27 2HB HIS 27 7.948 0.182 0.489 237 HD1 HIS 27 HD1 HIS 27 9.607 -2.138 0.962 238 HD2 HIS 27 HD2 HIS 27 5.468 -2.437 1.177 239 HE1 HIS 27 HE1 HIS 27 9.091 -4.577 0.631 240 HE2 HIS 27 HE2 HIS 27 6.579 -4.735 0.765 241 H LYS 28 H LYS 28 7.928 2.628 2.912 242 HA LYS 28 HA LYS 28 9.975 3.622 1.195 243 1HB LYS 28 1HB LYS 28 7.877 4.847 1.612 244 2HB LYS 28 2HB LYS 28 8.346 5.066 3.292 245 1HG LYS 28 1HG LYS 28 10.189 6.025 1.165 246 2HG LYS 28 2HG LYS 28 8.729 6.953 1.513 247 1HD LYS 28 1HD LYS 28 10.204 6.126 3.900 248 2HD LYS 28 2HD LYS 28 11.116 7.196 2.832 249 1HE LYS 28 1HE LYS 28 8.461 8.191 3.049 250 2HE LYS 28 2HE LYS 28 9.060 7.859 4.673 251 1HZ LYS 28 1HZ LYS 28 10.695 9.360 2.725 252 2HZ LYS 28 2HZ LYS 28 9.523 10.141 3.663 253 3HZ LYS 28 3HZ LYS 28 10.811 9.341 4.412 254 H GLN 29 H GLN 29 9.670 3.102 4.655 255 HA GLN 29 HA GLN 29 12.063 4.494 5.356 256 1HB GLN 29 1HB GLN 29 9.926 3.595 6.768 257 2HB GLN 29 2HB GLN 29 11.112 2.357 7.156 258 1HG GLN 29 1HG GLN 29 11.753 3.741 8.775 259 2HG GLN 29 2HG GLN 29 12.559 4.642 7.491 260 2HE2 GLN 29 2HE2 GLN 29 12.338 6.546 8.718 261 1HE2 GLN 29 1HE2 GLN 29 10.830 7.381 8.815 262 H SER 30 H SER 30 11.278 1.213 4.438 263 HA SER 30 HA SER 30 13.760 0.073 5.278 264 1HB SER 30 1HB SER 30 11.440 -1.065 4.722 265 2HB SER 30 2HB SER 30 12.121 -1.157 3.098 266 HG SER 30 HG SER 30 14.014 -2.123 4.228 267 H ILE 31 H ILE 31 12.526 1.449 2.292 268 HA ILE 31 HA ILE 31 14.723 0.673 0.657 269 HB ILE 31 HB ILE 31 12.617 1.191 -0.367 270 1HG1 ILE 31 1HG1 ILE 31 13.302 2.910 -2.045 271 2HG1 ILE 31 2HG1 ILE 31 14.715 3.259 -1.051 272 1HG2 ILE 31 1HG2 ILE 31 12.958 3.919 0.856 273 2HG2 ILE 31 2HG2 ILE 31 11.774 3.551 -0.399 274 3HG2 ILE 31 3HG2 ILE 31 11.679 2.748 1.166 275 1HD1 ILE 31 1HD1 ILE 31 15.143 0.696 -1.309 276 2HD1 ILE 31 2HD1 ILE 31 14.100 0.879 -2.717 277 3HD1 ILE 31 3HD1 ILE 31 15.587 1.817 -2.594 278 H LYS 32 H LYS 32 14.006 3.492 2.637 279 HA LYS 32 HA LYS 32 16.228 5.024 1.661 280 1HB LYS 32 1HB LYS 32 14.233 5.340 3.872 281 2HB LYS 32 2HB LYS 32 15.677 6.342 3.868 282 1HG LYS 32 1HG LYS 32 13.975 6.166 1.422 283 2HG LYS 32 2HG LYS 32 13.506 7.213 2.763 284 1HD LYS 32 1HD LYS 32 15.537 8.459 2.594 285 2HD LYS 32 2HD LYS 32 16.214 7.306 1.442 286 1HE LYS 32 1HE LYS 32 15.416 8.576 -0.196 287 2HE LYS 32 2HE LYS 32 13.790 8.138 0.327 288 1HZ LYS 32 1HZ LYS 32 14.279 10.072 2.039 289 2HZ LYS 32 2HZ LYS 32 15.293 10.597 0.789 290 3HZ LYS 32 3HZ LYS 32 13.641 10.377 0.502 291 H LYS 33 H LYS 33 15.637 2.840 4.334 292 HA LYS 33 HA LYS 33 18.080 3.429 5.705 293 1HB LYS 33 1HB LYS 33 15.804 1.610 6.051 294 2HB LYS 33 2HB LYS 33 17.338 0.929 6.572 295 1HG LYS 33 1HG LYS 33 17.680 2.663 8.145 296 2HG LYS 33 2HG LYS 33 16.361 3.624 7.473 297 1HD LYS 33 1HD LYS 33 14.763 1.889 8.181 298 2HD LYS 33 2HD LYS 33 16.093 0.972 8.889 299 1HE LYS 33 1HE LYS 33 16.486 3.359 10.071 300 2HE LYS 33 2HE LYS 33 14.737 3.408 9.855 301 1HZ LYS 33 1HZ LYS 33 15.730 0.909 10.898 302 2HZ LYS 33 2HZ LYS 33 15.997 2.231 11.918 303 3HZ LYS 33 3HZ LYS 33 14.427 1.855 11.413 304 H LEU 34 H LEU 34 17.088 1.272 3.172 305 HA LEU 34 HA LEU 34 19.334 -0.484 3.327 306 1HB LEU 34 1HB LEU 34 16.921 -0.471 1.977 307 2HB LEU 34 2HB LEU 34 18.093 -0.229 0.698 308 HG LEU 34 HG LEU 34 17.810 -2.541 0.762 309 1HD1 LEU 34 1HD1 LEU 34 20.266 -1.461 1.585 310 2HD1 LEU 34 2HD1 LEU 34 20.011 -2.913 2.552 311 3HD1 LEU 34 3HD1 LEU 34 19.975 -3.008 0.792 312 1HD2 LEU 34 1HD2 LEU 34 16.611 -2.366 3.035 313 2HD2 LEU 34 2HD2 LEU 34 17.456 -3.862 2.637 314 3HD2 LEU 34 3HD2 LEU 34 18.200 -2.691 3.725 315 H LYS 35 H LYS 35 18.519 2.363 1.381 316 HA LYS 35 HA LYS 35 20.843 2.303 -0.232 317 1HB LYS 35 1HB LYS 35 18.524 3.829 -0.119 318 2HB LYS 35 2HB LYS 35 19.800 4.979 0.254 319 1HG LYS 35 1HG LYS 35 19.711 3.198 -2.172 320 2HG LYS 35 2HG LYS 35 19.288 4.911 -2.135 321 1HD LYS 35 1HD LYS 35 21.427 5.318 -2.625 322 2HD LYS 35 2HD LYS 35 21.797 4.822 -0.972 323 1HE LYS 35 1HE LYS 35 21.846 2.433 -1.931 324 2HE LYS 35 2HE LYS 35 21.964 3.223 -3.504 325 1HZ LYS 35 1HZ LYS 35 23.947 4.386 -2.700 326 2HZ LYS 35 2HZ LYS 35 23.847 3.554 -1.231 327 3HZ LYS 35 3HZ LYS 35 24.147 2.707 -2.665 328 H GLN 36 H GLN 36 20.099 3.808 2.866 329 HA GLN 36 HA GLN 36 22.553 5.269 3.023 330 1HB GLN 36 1HB GLN 36 20.391 5.812 4.244 331 2HB GLN 36 2HB GLN 36 20.776 4.486 5.332 332 1HG GLN 36 1HG GLN 36 21.443 6.604 6.291 333 2HG GLN 36 2HG GLN 36 22.855 5.602 5.959 334 2HE2 GLN 36 2HE2 GLN 36 24.117 7.517 6.024 335 1HE2 GLN 36 1HE2 GLN 36 24.171 8.585 4.667 336 H SER 37 H SER 37 21.555 2.047 3.788 337 HA SER 37 HA SER 37 23.703 1.475 5.598 338 1HB SER 37 1HB SER 37 21.917 0.051 5.971 339 2HB SER 37 2HB SER 37 21.563 -0.125 4.252 340 HG SER 37 HG SER 37 22.490 -2.021 4.945 341 H GLU 38 H GLU 38 23.131 1.097 2.149 342 HA GLU 38 HA GLU 38 25.404 -0.522 1.627 343 1HB GLU 38 1HB GLU 38 23.226 0.360 0.167 344 2HB GLU 38 2HB GLU 38 24.578 1.199 -0.583 345 1HG GLU 38 1HG GLU 38 25.629 -1.248 -0.453 346 2HG GLU 38 2HG GLU 38 23.921 -1.681 -0.527 347 H ASP 39 H ASP 39 24.931 2.876 2.076 348 HA ASP 39 HA ASP 39 27.335 3.726 0.783 349 1HB ASP 39 1HB ASP 39 25.352 5.201 1.180 350 2HB ASP 39 2HB ASP 39 25.737 5.183 2.898 351 H ASP 40 H ASP 40 26.533 2.491 3.913 352 HA ASP 40 HA ASP 40 27.843 1.851 5.665 353 1HB ASP 40 1HB ASP 40 30.226 2.738 4.032 354 2HB ASP 40 2HB ASP 40 30.213 1.601 5.377 355 H ASP 41 H ASP 41 29.512 2.782 7.254 356 HA ASP 41 HA ASP 41 28.987 5.663 7.490 357 1HB ASP 41 1HB ASP 41 29.960 3.890 9.721 358 2HB ASP 41 2HB ASP 41 29.124 5.435 9.833 359 H1 ALA 1 H1 ALA 1 30.248 -14.435 -3.551 360 H2 ALA 1 H2 ALA 1 30.969 -15.888 -2.989 361 H3 ALA 1 H3 ALA 1 29.830 -15.063 -2.009 362 HA ALA 1 HA ALA 1 31.940 -14.633 -1.157 363 1HB ALA 1 1HB ALA 1 33.473 -15.115 -2.803 364 2HB ALA 1 2HB ALA 1 33.540 -13.352 -2.773 365 3HB ALA 1 3HB ALA 1 32.614 -14.179 -4.027 366 H LEU 2 H LEU 2 31.512 -12.287 -3.779 367 HA LEU 2 HA LEU 2 31.549 -10.041 -2.133 368 1HB LEU 2 1HB LEU 2 30.373 -10.465 -4.875 369 2HB LEU 2 2HB LEU 2 30.430 -8.894 -4.098 370 HG LEU 2 HG LEU 2 32.286 -8.922 -5.531 371 1HD1 LEU 2 1HD1 LEU 2 32.766 -8.186 -3.203 372 2HD1 LEU 2 2HD1 LEU 2 33.402 -9.799 -2.875 373 3HD1 LEU 2 3HD1 LEU 2 34.180 -8.770 -4.079 374 1HD2 LEU 2 1HD2 LEU 2 32.116 -11.504 -5.730 375 2HD2 LEU 2 2HD2 LEU 2 33.674 -10.716 -5.979 376 3HD2 LEU 2 3HD2 LEU 2 33.321 -11.507 -4.443 377 H LYS 3 H LYS 3 29.615 -8.411 -2.173 378 HA LYS 3 HA LYS 3 27.448 -9.730 -0.770 379 1HB LYS 3 1HB LYS 3 28.278 -6.869 -1.149 380 2HB LYS 3 2HB LYS 3 26.686 -7.260 -0.514 381 1HG LYS 3 1HG LYS 3 27.588 -7.390 1.501 382 2HG LYS 3 2HG LYS 3 28.485 -8.812 0.962 383 1HD LYS 3 1HD LYS 3 30.236 -7.229 0.075 384 2HD LYS 3 2HD LYS 3 29.379 -5.935 0.918 385 1HE LYS 3 1HE LYS 3 31.299 -6.891 2.189 386 2HE LYS 3 2HE LYS 3 29.756 -6.972 3.038 387 1HZ LYS 3 1HZ LYS 3 30.778 -9.248 1.450 388 2HZ LYS 3 2HZ LYS 3 31.211 -9.031 3.070 389 3HZ LYS 3 3HZ LYS 3 29.588 -9.255 2.652 390 H LYS 4 H LYS 4 27.099 -6.908 -2.863 391 HA LYS 4 HA LYS 4 25.513 -6.387 -4.416 392 1HB LYS 4 1HB LYS 4 25.731 -9.204 -5.428 393 2HB LYS 4 2HB LYS 4 25.540 -7.714 -6.340 394 1HG LYS 4 1HG LYS 4 28.028 -8.264 -4.766 395 2HG LYS 4 2HG LYS 4 27.809 -8.892 -6.401 396 1HD LYS 4 1HD LYS 4 27.090 -6.131 -6.366 397 2HD LYS 4 2HD LYS 4 28.675 -6.317 -5.613 398 1HE LYS 4 1HE LYS 4 27.820 -7.199 -8.362 399 2HE LYS 4 2HE LYS 4 29.022 -5.979 -7.947 400 1HZ LYS 4 1HZ LYS 4 29.730 -8.404 -6.723 401 2HZ LYS 4 2HZ LYS 4 29.419 -8.708 -8.356 402 3HZ LYS 4 3HZ LYS 4 30.566 -7.545 -7.917 403 H HIS 5 H HIS 5 24.616 -7.673 -1.882 404 HA HIS 5 HA HIS 5 22.118 -8.923 -2.791 405 1HB HIS 5 1HB HIS 5 21.905 -9.480 -0.289 406 2HB HIS 5 2HB HIS 5 23.131 -10.342 -1.212 407 HD1 HIS 5 HD1 HIS 5 25.203 -10.570 0.096 408 HD2 HIS 5 HD2 HIS 5 23.284 -6.971 0.887 409 HE1 HIS 5 HE1 HIS 5 26.653 -9.390 1.778 410 HE2 HIS 5 HE2 HIS 5 25.473 -7.213 2.242 411 H HIS 6 H HIS 6 23.452 -6.200 -1.075 412 HA HIS 6 HA HIS 6 20.968 -5.261 -0.016 413 1HB HIS 6 1HB HIS 6 23.746 -4.186 -0.227 414 2HB HIS 6 2HB HIS 6 22.435 -3.055 0.094 415 HD1 HIS 6 HD1 HIS 6 21.484 -6.097 1.669 416 HD2 HIS 6 HD2 HIS 6 24.146 -3.044 2.597 417 HE1 HIS 6 HE1 HIS 6 21.900 -6.295 4.141 418 HE2 HIS 6 HE2 HIS 6 23.514 -4.439 4.681 419 H GLU 7 H GLU 7 22.860 -4.624 -2.920 420 HA GLU 7 HA GLU 7 21.404 -2.401 -3.844 421 1HB GLU 7 1HB GLU 7 23.545 -2.916 -4.815 422 2HB GLU 7 2HB GLU 7 22.985 -4.501 -5.334 423 1HG GLU 7 1HG GLU 7 21.453 -2.207 -6.357 424 2HG GLU 7 2HG GLU 7 23.112 -2.348 -6.935 425 H ASN 8 H ASN 8 20.849 -5.846 -4.068 426 HA ASN 8 HA ASN 8 18.785 -5.713 -6.025 427 1HB ASN 8 1HB ASN 8 19.612 -7.812 -4.024 428 2HB ASN 8 2HB ASN 8 18.208 -8.028 -5.065 429 2HD2 ASN 8 2HD2 ASN 8 19.786 -9.913 -5.520 430 1HD2 ASN 8 1HD2 ASN 8 20.822 -9.684 -6.884 431 H GLU 9 H GLU 9 18.688 -6.247 -2.499 432 HA GLU 9 HA GLU 9 15.911 -6.072 -2.225 433 1HB GLU 9 1HB GLU 9 18.183 -6.245 -0.498 434 2HB GLU 9 2HB GLU 9 17.120 -4.982 0.106 435 1HG GLU 9 1HG GLU 9 16.515 -7.019 1.165 436 2HG GLU 9 2HG GLU 9 15.243 -6.610 0.017 437 H ILE 10 H ILE 10 18.265 -3.651 -2.845 438 HA ILE 10 HA ILE 10 16.854 -1.430 -1.775 439 HB ILE 10 HB ILE 10 19.394 -1.878 -2.863 440 1HG1 ILE 10 1HG1 ILE 10 19.008 0.910 -2.394 441 2HG1 ILE 10 2HG1 ILE 10 18.052 -0.003 -1.230 442 1HG2 ILE 10 1HG2 ILE 10 18.626 -1.296 -5.103 443 2HG2 ILE 10 2HG2 ILE 10 18.032 0.252 -4.502 444 3HG2 ILE 10 3HG2 ILE 10 19.761 -0.099 -4.480 445 1HD1 ILE 10 1HD1 ILE 10 20.667 -1.153 -1.497 446 2HD1 ILE 10 2HD1 ILE 10 20.776 0.567 -1.117 447 3HD1 ILE 10 3HD1 ILE 10 19.860 -0.512 -0.066 448 H SER 11 H SER 11 17.250 -2.670 -5.091 449 HA SER 11 HA SER 11 15.509 -0.806 -6.296 450 1HB SER 11 1HB SER 11 15.746 -2.064 -8.264 451 2HB SER 11 2HB SER 11 17.251 -2.372 -7.396 452 HG SER 11 HG SER 11 15.364 -4.116 -8.176 453 H HIS 12 H HIS 12 14.939 -3.722 -4.523 454 HA HIS 12 HA HIS 12 12.296 -4.141 -5.548 455 1HB HIS 12 1HB HIS 12 12.765 -6.173 -4.731 456 2HB HIS 12 2HB HIS 12 14.160 -5.553 -3.867 457 HD1 HIS 12 HD1 HIS 12 10.401 -5.858 -3.339 458 HD2 HIS 12 HD2 HIS 12 13.953 -5.779 -1.188 459 HE1 HIS 12 HE1 HIS 12 9.751 -6.323 -0.954 460 HE2 HIS 12 HE2 HIS 12 11.918 -6.275 0.332 461 H HIS 13 H HIS 13 13.666 -2.662 -2.616 462 HA HIS 13 HA HIS 13 11.153 -2.125 -1.407 463 1HB HIS 13 1HB HIS 13 13.671 -0.514 -1.012 464 2HB HIS 13 2HB HIS 13 12.324 -0.684 0.102 465 HD1 HIS 13 HD1 HIS 13 12.247 -3.891 -0.215 466 HD2 HIS 13 HD2 HIS 13 15.501 -1.510 0.768 467 HE1 HIS 13 HE1 HIS 13 13.828 -5.403 1.030 468 HE2 HIS 13 HE2 HIS 13 15.797 -3.941 1.616 469 H ALA 14 H ALA 14 12.997 -0.593 -3.906 470 HA ALA 14 HA ALA 14 11.784 1.975 -3.753 471 1HB ALA 14 1HB ALA 14 13.190 0.592 -6.038 472 2HB ALA 14 2HB ALA 14 13.906 1.709 -4.877 473 3HB ALA 14 3HB ALA 14 12.706 2.288 -6.033 474 H LYS 15 H LYS 15 11.305 -0.770 -5.976 475 HA LYS 15 HA LYS 15 8.978 0.349 -7.171 476 1HB LYS 15 1HB LYS 15 10.364 -2.286 -7.235 477 2HB LYS 15 2HB LYS 15 8.683 -2.241 -7.748 478 1HG LYS 15 1HG LYS 15 10.780 -0.410 -8.878 479 2HG LYS 15 2HG LYS 15 10.414 -1.996 -9.562 480 1HD LYS 15 1HD LYS 15 8.768 -1.057 -10.726 481 2HD LYS 15 2HD LYS 15 7.942 -0.712 -9.205 482 1HE LYS 15 1HE LYS 15 8.106 1.432 -9.833 483 2HE LYS 15 2HE LYS 15 9.782 1.295 -9.303 484 1HZ LYS 15 1HZ LYS 15 9.390 0.377 -11.988 485 2HZ LYS 15 2HZ LYS 15 8.953 1.999 -11.794 486 3HZ LYS 15 3HZ LYS 15 10.511 1.489 -11.381 487 H GLU 16 H GLU 16 9.537 -1.081 -4.151 488 HA GLU 16 HA GLU 16 6.912 -2.223 -3.841 489 1HB GLU 16 1HB GLU 16 9.423 -2.238 -2.372 490 2HB GLU 16 2HB GLU 16 8.043 -1.995 -1.310 491 1HG GLU 16 1HG GLU 16 8.778 -4.378 -1.675 492 2HG GLU 16 2HG GLU 16 7.068 -4.038 -1.930 493 H ILE 17 H ILE 17 8.616 0.721 -2.823 494 HA ILE 17 HA ILE 17 6.435 1.629 -1.185 495 HB ILE 17 HB ILE 17 8.617 2.441 -0.638 496 1HG1 ILE 17 1HG1 ILE 17 6.879 4.604 -1.840 497 2HG1 ILE 17 2HG1 ILE 17 6.892 4.046 -0.171 498 1HG2 ILE 17 1HG2 ILE 17 8.727 3.387 -3.489 499 2HG2 ILE 17 2HG2 ILE 17 9.833 3.968 -2.243 500 3HG2 ILE 17 3HG2 ILE 17 9.803 2.256 -2.667 501 1HD1 ILE 17 1HD1 ILE 17 9.341 4.855 -0.170 502 2HD1 ILE 17 2HD1 ILE 17 8.865 5.764 -1.603 503 3HD1 ILE 17 3HD1 ILE 17 8.041 6.042 -0.069 504 H GLU 18 H GLU 18 7.438 2.053 -4.520 505 HA GLU 18 HA GLU 18 5.530 4.122 -5.082 506 1HB GLU 18 1HB GLU 18 7.698 2.824 -6.457 507 2HB GLU 18 2HB GLU 18 6.273 2.843 -7.487 508 1HG GLU 18 1HG GLU 18 6.124 5.211 -7.376 509 2HG GLU 18 2HG GLU 18 7.349 5.288 -6.111 510 H ARG 19 H ARG 19 5.704 0.620 -5.576 511 HA ARG 19 HA ARG 19 3.206 0.472 -6.959 512 1HB ARG 19 1HB ARG 19 4.961 -1.607 -5.654 513 2HB ARG 19 2HB ARG 19 3.439 -2.011 -6.435 514 1HG ARG 19 1HG ARG 19 5.783 -0.678 -7.775 515 2HG ARG 19 2HG ARG 19 5.363 -2.387 -7.899 516 1HD ARG 19 1HD ARG 19 4.352 -1.613 -9.791 517 2HD ARG 19 2HD ARG 19 3.031 -1.393 -8.643 518 HE ARG 19 HE ARG 19 4.735 0.906 -8.886 519 1HH1 ARG 19 1HH1 ARG 19 1.985 -0.767 -10.213 520 2HH1 ARG 19 2HH1 ARG 19 1.296 0.657 -10.920 521 1HH2 ARG 19 1HH2 ARG 19 3.838 2.788 -9.811 522 2HH2 ARG 19 2HH2 ARG 19 2.349 2.678 -10.691 523 H LEU 20 H LEU 20 4.177 0.528 -3.642 524 HA LEU 20 HA LEU 20 1.791 -0.641 -2.583 525 1HB LEU 20 1HB LEU 20 4.195 0.694 -1.497 526 2HB LEU 20 2HB LEU 20 2.750 0.827 -0.524 527 HG LEU 20 HG LEU 20 4.360 -1.103 -0.024 528 1HD1 LEU 20 1HD1 LEU 20 2.018 -0.834 0.817 529 2HD1 LEU 20 2HD1 LEU 20 1.490 -1.848 -0.525 530 3HD1 LEU 20 3HD1 LEU 20 2.580 -2.501 0.697 531 1HD2 LEU 20 1HD2 LEU 20 3.927 -1.646 -2.724 532 2HD2 LEU 20 2HD2 LEU 20 4.742 -2.675 -1.547 533 3HD2 LEU 20 3HD2 LEU 20 3.018 -2.880 -1.853 534 H GLN 21 H GLN 21 2.941 2.634 -3.223 535 HA GLN 21 HA GLN 21 0.813 4.018 -2.003 536 1HB GLN 21 1HB GLN 21 2.782 4.706 -4.163 537 2HB GLN 21 2HB GLN 21 1.478 5.817 -3.766 538 1HG GLN 21 1HG GLN 21 2.501 5.237 -1.303 539 2HG GLN 21 2HG GLN 21 3.940 5.208 -2.321 540 2HE2 GLN 21 2HE2 GLN 21 1.276 7.152 -1.175 541 1HE2 GLN 21 1HE2 GLN 21 1.969 8.684 -1.567 542 H LYS 22 H LYS 22 1.318 3.016 -5.385 543 HA LYS 22 HA LYS 22 -1.147 3.990 -6.350 544 1HB LYS 22 1HB LYS 22 1.035 2.325 -7.341 545 2HB LYS 22 2HB LYS 22 -0.530 1.816 -7.957 546 1HG LYS 22 1HG LYS 22 0.541 4.624 -8.125 547 2HG LYS 22 2HG LYS 22 0.635 3.429 -9.420 548 1HD LYS 22 1HD LYS 22 -1.308 4.361 -10.082 549 2HD LYS 22 2HD LYS 22 -2.004 3.326 -8.833 550 1HE LYS 22 1HE LYS 22 -2.554 5.069 -7.541 551 2HE LYS 22 2HE LYS 22 -1.002 5.862 -7.802 552 1HZ LYS 22 1HZ LYS 22 -2.402 6.023 -10.192 553 2HZ LYS 22 2HZ LYS 22 -3.498 6.444 -8.973 554 3HZ LYS 22 3HZ LYS 22 -2.037 7.283 -9.124 555 H GLU 23 H GLU 23 -0.235 1.070 -4.700 556 HA GLU 23 HA GLU 23 -2.547 -0.455 -5.326 557 1HB GLU 23 1HB GLU 23 -0.162 -0.780 -3.768 558 2HB GLU 23 2HB GLU 23 -1.550 -1.258 -2.800 559 1HG GLU 23 1HG GLU 23 -1.295 -3.237 -3.793 560 2HG GLU 23 2HG GLU 23 -2.108 -2.474 -5.159 561 H ILE 24 H ILE 24 -1.747 1.833 -2.773 562 HA ILE 24 HA ILE 24 -4.010 1.284 -1.161 563 HB ILE 24 HB ILE 24 -3.343 2.971 0.229 564 1HG1 ILE 24 1HG1 ILE 24 -2.016 5.024 -0.683 565 2HG1 ILE 24 2HG1 ILE 24 -2.671 4.541 -2.245 566 1HG2 ILE 24 1HG2 ILE 24 -1.343 1.494 -0.651 567 2HG2 ILE 24 2HG2 ILE 24 -0.739 3.062 -1.184 568 3HG2 ILE 24 3HG2 ILE 24 -1.100 2.789 0.521 569 1HD1 ILE 24 1HD1 ILE 24 -4.796 4.546 -0.370 570 2HD1 ILE 24 2HD1 ILE 24 -3.904 6.061 -0.204 571 3HD1 ILE 24 3HD1 ILE 24 -4.556 5.589 -1.774 572 H GLU 25 H GLU 25 -3.389 3.576 -3.769 573 HA GLU 25 HA GLU 25 -5.775 5.030 -3.631 574 1HB GLU 25 1HB GLU 25 -3.622 5.342 -5.105 575 2HB GLU 25 2HB GLU 25 -4.523 4.387 -6.274 576 1HG GLU 25 1HG GLU 25 -6.154 6.012 -6.538 577 2HG GLU 25 2HG GLU 25 -5.757 6.798 -5.011 578 H ARG 26 H ARG 26 -4.978 2.041 -5.359 579 HA ARG 26 HA ARG 26 -7.362 1.704 -6.758 580 1HB ARG 26 1HB ARG 26 -5.096 0.305 -6.661 581 2HB ARG 26 2HB ARG 26 -6.051 -0.700 -5.580 582 1HG ARG 26 1HG ARG 26 -6.120 -1.506 -7.885 583 2HG ARG 26 2HG ARG 26 -7.717 -1.027 -7.309 584 1HD ARG 26 1HD ARG 26 -7.138 -0.288 -9.645 585 2HD ARG 26 2HD ARG 26 -7.660 0.990 -8.549 586 HE ARG 26 HE ARG 26 -5.595 1.949 -8.750 587 1HH1 ARG 26 1HH1 ARG 26 -5.423 -1.350 -9.852 588 2HH1 ARG 26 2HH1 ARG 26 -3.804 -1.203 -10.449 589 1HH2 ARG 26 1HH2 ARG 26 -3.462 2.154 -9.532 590 2HH2 ARG 26 2HH2 ARG 26 -2.689 0.789 -10.267 591 H HIS 27 H HIS 27 -6.477 0.568 -3.507 592 HA HIS 27 HA HIS 27 -8.935 -0.682 -2.935 593 1HB HIS 27 1HB HIS 27 -6.507 0.023 -1.486 594 2HB HIS 27 2HB HIS 27 -7.946 0.181 -0.486 595 HD1 HIS 27 HD1 HIS 27 -9.606 -2.139 -0.958 596 HD2 HIS 27 HD2 HIS 27 -5.467 -2.438 -1.176 597 HE1 HIS 27 HE1 HIS 27 -9.090 -4.578 -0.627 598 HE2 HIS 27 HE2 HIS 27 -6.578 -4.737 -0.762 599 H LYS 28 H LYS 28 -7.928 2.627 -2.908 600 HA LYS 28 HA LYS 28 -9.973 3.620 -1.190 601 1HB LYS 28 1HB LYS 28 -7.876 4.846 -1.610 602 2HB LYS 28 2HB LYS 28 -8.348 5.065 -3.289 603 1HG LYS 28 1HG LYS 28 -10.189 6.023 -1.160 604 2HG LYS 28 2HG LYS 28 -8.730 6.951 -1.509 605 1HD LYS 28 1HD LYS 28 -10.206 6.124 -3.895 606 2HD LYS 28 2HD LYS 28 -11.116 7.195 -2.828 607 1HE LYS 28 1HE LYS 28 -8.461 8.190 -3.044 608 2HE LYS 28 2HE LYS 28 -9.062 7.858 -4.669 609 1HZ LYS 28 1HZ LYS 28 -10.695 9.358 -2.720 610 2HZ LYS 28 2HZ LYS 28 -9.524 10.140 -3.659 611 3HZ LYS 28 3HZ LYS 28 -10.812 9.339 -4.408 612 H GLN 29 H GLN 29 -9.670 3.106 -4.651 613 HA GLN 29 HA GLN 29 -12.065 4.494 -5.348 614 1HB GLN 29 1HB GLN 29 -9.929 3.596 -6.763 615 2HB GLN 29 2HB GLN 29 -11.117 2.359 -7.150 616 1HG GLN 29 1HG GLN 29 -11.759 3.743 -8.769 617 2HG GLN 29 2HG GLN 29 -12.562 4.644 -7.483 618 2HE2 GLN 29 2HE2 GLN 29 -12.342 6.547 -8.713 619 1HE2 GLN 29 1HE2 GLN 29 -10.832 7.381 -8.812 620 H SER 30 H SER 30 -11.279 1.215 -4.428 621 HA SER 30 HA SER 30 -13.761 0.073 -5.269 622 1HB SER 30 1HB SER 30 -11.440 -1.063 -4.713 623 2HB SER 30 2HB SER 30 -12.121 -1.156 -3.088 624 HG SER 30 HG SER 30 -14.014 -2.122 -4.223 625 H ILE 31 H ILE 31 -12.527 1.450 -2.283 626 HA ILE 31 HA ILE 31 -14.725 0.672 -0.647 627 HB ILE 31 HB ILE 31 -12.619 1.188 0.376 628 1HG1 ILE 31 1HG1 ILE 31 -13.301 2.918 2.052 629 2HG1 ILE 31 2HG1 ILE 31 -14.723 3.247 1.063 630 1HG2 ILE 31 1HG2 ILE 31 -12.957 3.915 -0.848 631 2HG2 ILE 31 2HG2 ILE 31 -11.777 3.550 0.410 632 3HG2 ILE 31 3HG2 ILE 31 -11.677 2.743 -1.152 633 1HD1 ILE 31 1HD1 ILE 31 -15.418 0.897 1.372 634 2HD1 ILE 31 2HD1 ILE 31 -14.042 0.672 2.450 635 3HD1 ILE 31 3HD1 ILE 31 -15.318 1.805 2.880 636 H LYS 32 H LYS 32 -14.008 3.488 -2.629 637 HA LYS 32 HA LYS 32 -16.228 5.025 -1.653 638 1HB LYS 32 1HB LYS 32 -14.231 5.337 -3.862 639 2HB LYS 32 2HB LYS 32 -15.675 6.340 -3.860 640 1HG LYS 32 1HG LYS 32 -13.974 6.165 -1.412 641 2HG LYS 32 2HG LYS 32 -13.505 7.212 -2.753 642 1HD LYS 32 1HD LYS 32 -15.536 8.458 -2.587 643 2HD LYS 32 2HD LYS 32 -16.213 7.305 -1.434 644 1HE LYS 32 1HE LYS 32 -15.416 8.577 0.203 645 2HE LYS 32 2HE LYS 32 -13.790 8.139 -0.319 646 1HZ LYS 32 1HZ LYS 32 -14.279 10.071 -2.032 647 2HZ LYS 32 2HZ LYS 32 -15.293 10.597 -0.783 648 3HZ LYS 32 3HZ LYS 32 -13.640 10.377 -0.496 649 H LYS 33 H LYS 33 -15.636 2.840 -4.327 650 HA LYS 33 HA LYS 33 -18.079 3.431 -5.698 651 1HB LYS 33 1HB LYS 33 -15.802 1.613 -6.045 652 2HB LYS 33 2HB LYS 33 -17.336 0.930 -6.564 653 1HG LYS 33 1HG LYS 33 -17.680 2.663 -8.138 654 2HG LYS 33 2HG LYS 33 -16.361 3.624 -7.469 655 1HD LYS 33 1HD LYS 33 -14.765 1.890 -8.175 656 2HD LYS 33 2HD LYS 33 -16.095 0.972 -8.883 657 1HE LYS 33 1HE LYS 33 -16.488 3.359 -10.065 658 2HE LYS 33 2HE LYS 33 -14.739 3.408 -9.850 659 1HZ LYS 33 1HZ LYS 33 -15.732 0.909 -10.891 660 2HZ LYS 33 2HZ LYS 33 -16.000 2.231 -11.913 661 3HZ LYS 33 3HZ LYS 33 -14.429 1.856 -11.407 662 H LEU 34 H LEU 34 -17.087 1.270 -3.167 663 HA LEU 34 HA LEU 34 -19.335 -0.483 -3.323 664 1HB LEU 34 1HB LEU 34 -16.923 -0.473 -1.972 665 2HB LEU 34 2HB LEU 34 -18.096 -0.232 -0.693 666 HG LEU 34 HG LEU 34 -17.812 -2.545 -0.761 667 1HD1 LEU 34 1HD1 LEU 34 -20.268 -1.462 -1.587 668 2HD1 LEU 34 2HD1 LEU 34 -20.013 -2.915 -2.553 669 3HD1 LEU 34 3HD1 LEU 34 -19.978 -3.009 -0.792 670 1HD2 LEU 34 1HD2 LEU 34 -16.612 -2.367 -3.034 671 2HD2 LEU 34 2HD2 LEU 34 -17.460 -3.862 -2.639 672 3HD2 LEU 34 3HD2 LEU 34 -18.201 -2.687 -3.726 673 H LYS 35 H LYS 35 -18.518 2.362 -1.375 674 HA LYS 35 HA LYS 35 -20.841 2.302 0.238 675 1HB LYS 35 1HB LYS 35 -18.522 3.827 0.125 676 2HB LYS 35 2HB LYS 35 -19.798 4.978 -0.248 677 1HG LYS 35 1HG LYS 35 -19.707 3.198 2.178 678 2HG LYS 35 2HG LYS 35 -19.286 4.910 2.140 679 1HD LYS 35 1HD LYS 35 -21.424 5.317 2.631 680 2HD LYS 35 2HD LYS 35 -21.796 4.821 0.979 681 1HE LYS 35 1HE LYS 35 -21.843 2.432 1.939 682 2HE LYS 35 2HE LYS 35 -21.960 3.222 3.510 683 1HZ LYS 35 1HZ LYS 35 -23.944 4.385 2.708 684 2HZ LYS 35 2HZ LYS 35 -23.845 3.553 1.240 685 3HZ LYS 35 3HZ LYS 35 -24.144 2.706 2.673 686 H GLN 36 H GLN 36 -20.099 3.806 -2.859 687 HA GLN 36 HA GLN 36 -22.553 5.268 -3.016 688 1HB GLN 36 1HB GLN 36 -20.392 5.811 -4.237 689 2HB GLN 36 2HB GLN 36 -20.777 4.486 -5.326 690 1HG GLN 36 1HG GLN 36 -21.445 6.603 -6.283 691 2HG GLN 36 2HG GLN 36 -22.857 5.601 -5.951 692 2HE2 GLN 36 2HE2 GLN 36 -24.119 7.516 -6.015 693 1HE2 GLN 36 1HE2 GLN 36 -24.173 8.584 -4.658 694 H SER 37 H SER 37 -21.555 2.046 -3.781 695 HA SER 37 HA SER 37 -23.704 1.474 -5.590 696 1HB SER 37 1HB SER 37 -21.918 0.050 -5.964 697 2HB SER 37 2HB SER 37 -21.563 -0.126 -4.245 698 HG SER 37 HG SER 37 -22.490 -2.021 -4.938 699 H GLU 38 H GLU 38 -23.131 1.097 -2.141 700 HA GLU 38 HA GLU 38 -25.404 -0.523 -1.619 701 1HB GLU 38 1HB GLU 38 -23.226 0.360 -0.159 702 2HB GLU 38 2HB GLU 38 -24.577 1.198 0.591 703 1HG GLU 38 1HG GLU 38 -25.627 -1.250 0.461 704 2HG GLU 38 2HG GLU 38 -23.920 -1.681 0.535 705 H ASP 39 H ASP 39 -24.932 2.876 -2.066 706 HA ASP 39 HA ASP 39 -27.334 3.726 -0.772 707 1HB ASP 39 1HB ASP 39 -25.353 5.201 -1.170 708 2HB ASP 39 2HB ASP 39 -25.737 5.182 -2.889 709 H ASP 40 H ASP 40 -26.533 2.490 -3.904 710 HA ASP 40 HA ASP 40 -27.845 1.850 -5.655 711 1HB ASP 40 1HB ASP 40 -30.226 2.737 -4.021 712 2HB ASP 40 2HB ASP 40 -30.214 1.600 -5.367 713 H ASP 41 H ASP 41 -29.514 2.781 -7.244 714 HA ASP 41 HA ASP 41 -28.989 5.662 -7.480 715 1HB ASP 41 1HB ASP 41 -29.963 3.889 -9.709 716 2HB ASP 41 2HB ASP 41 -29.127 5.435 -9.823 No H/Q in entry = 716 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -33.869 -1.602 -0.339 2 H2 ALA 1 H2 ALA 1 -34.826 -1.769 1.074 3 H3 ALA 1 H3 ALA 1 -35.556 -1.293 -0.404 4 HA ALA 1 HA ALA 1 -34.378 0.735 -0.404 5 1HB ALA 1 1HB ALA 1 -36.231 -0.075 1.677 6 2HB ALA 1 2HB ALA 1 -35.235 1.298 2.163 7 3HB ALA 1 3HB ALA 1 -36.204 1.388 0.693 8 H LEU 2 H LEU 2 -34.020 -0.341 2.960 9 HA LEU 2 HA LEU 2 -31.358 0.857 3.009 10 1HB LEU 2 1HB LEU 2 -33.466 0.340 4.961 11 2HB LEU 2 2HB LEU 2 -31.874 -0.104 5.547 12 HG LEU 2 HG LEU 2 -31.193 2.279 4.732 13 1HD1 LEU 2 1HD1 LEU 2 -33.740 2.375 3.847 14 2HD1 LEU 2 2HD1 LEU 2 -33.924 3.109 5.439 15 3HD1 LEU 2 3HD1 LEU 2 -32.789 3.797 4.278 16 1HD2 LEU 2 1HD2 LEU 2 -32.688 1.504 7.199 17 2HD2 LEU 2 2HD2 LEU 2 -30.980 1.896 6.997 18 3HD2 LEU 2 3HD2 LEU 2 -32.190 3.179 6.963 19 H LYS 3 H LYS 3 -30.370 -0.817 1.723 20 HA LYS 3 HA LYS 3 -30.347 -3.526 2.254 21 1HB LYS 3 1HB LYS 3 -29.049 -1.879 0.493 22 2HB LYS 3 2HB LYS 3 -27.722 -2.437 1.502 23 1HG LYS 3 1HG LYS 3 -28.074 -3.826 -0.501 24 2HG LYS 3 2HG LYS 3 -28.238 -4.731 1.005 25 1HD LYS 3 1HD LYS 3 -30.345 -5.285 0.531 26 2HD LYS 3 2HD LYS 3 -30.769 -3.611 0.163 27 1HE LYS 3 1HE LYS 3 -29.423 -4.116 -2.046 28 2HE LYS 3 2HE LYS 3 -29.838 -5.784 -1.649 29 1HZ LYS 3 1HZ LYS 3 -32.172 -4.401 -1.324 30 2HZ LYS 3 2HZ LYS 3 -31.488 -3.710 -2.709 31 3HZ LYS 3 3HZ LYS 3 -31.767 -5.378 -2.644 32 H LYS 4 H LYS 4 -27.757 -1.287 3.247 33 HA LYS 4 HA LYS 4 -26.653 -1.081 5.251 34 1HB LYS 4 1HB LYS 4 -28.861 -2.501 6.091 35 2HB LYS 4 2HB LYS 4 -27.528 -3.558 6.535 36 1HG LYS 4 1HG LYS 4 -26.548 -1.897 7.906 37 2HG LYS 4 2HG LYS 4 -27.620 -0.647 7.273 38 1HD LYS 4 1HD LYS 4 -29.384 -1.319 8.552 39 2HD LYS 4 2HD LYS 4 -28.881 -3.011 8.546 40 1HE LYS 4 1HE LYS 4 -27.794 -2.781 10.477 41 2HE LYS 4 2HE LYS 4 -26.960 -1.335 9.911 42 1HZ LYS 4 1HZ LYS 4 -29.758 -1.318 10.895 43 2HZ LYS 4 2HZ LYS 4 -28.424 -1.012 11.889 44 3HZ LYS 4 3HZ LYS 4 -28.762 0.018 10.591 45 H HIS 5 H HIS 5 -27.018 -4.437 4.112 46 HA HIS 5 HA HIS 5 -24.659 -5.520 4.998 47 1HB HIS 5 1HB HIS 5 -25.738 -6.047 2.231 48 2HB HIS 5 2HB HIS 5 -24.865 -7.156 3.282 49 HD1 HIS 5 HD1 HIS 5 -26.977 -5.896 5.650 50 HD2 HIS 5 HD2 HIS 5 -27.702 -8.213 2.277 51 HE1 HIS 5 HE1 HIS 5 -29.178 -7.034 6.077 52 HE2 HIS 5 HE2 HIS 5 -29.599 -8.431 4.022 53 H HIS 6 H HIS 6 -25.165 -3.290 2.350 54 HA HIS 6 HA HIS 6 -22.685 -3.568 1.069 55 1HB HIS 6 1HB HIS 6 -24.567 -1.214 1.284 56 2HB HIS 6 2HB HIS 6 -23.123 -1.198 0.279 57 HD1 HIS 6 HD1 HIS 6 -25.139 -4.326 0.464 58 HD2 HIS 6 HD2 HIS 6 -24.710 -1.040 -2.043 59 HE1 HIS 6 HE1 HIS 6 -26.335 -4.941 -1.660 60 HE2 HIS 6 HE2 HIS 6 -26.063 -2.938 -3.164 61 H GLU 7 H GLU 7 -23.714 -1.171 3.502 62 HA GLU 7 HA GLU 7 -21.300 0.124 3.846 63 1HB GLU 7 1HB GLU 7 -23.434 0.852 4.855 64 2HB GLU 7 2HB GLU 7 -23.350 -0.496 5.981 65 1HG GLU 7 1HG GLU 7 -22.554 1.242 7.252 66 2HG GLU 7 2HG GLU 7 -21.064 0.523 6.643 67 H ASN 8 H ASN 8 -22.226 -3.062 4.813 68 HA ASN 8 HA ASN 8 -20.312 -3.426 6.883 69 1HB ASN 8 1HB ASN 8 -22.449 -4.862 6.026 70 2HB ASN 8 2HB ASN 8 -21.136 -5.799 5.322 71 2HD2 ASN 8 2HD2 ASN 8 -22.636 -7.030 7.127 72 1HD2 ASN 8 1HD2 ASN 8 -21.800 -7.208 8.628 73 H GLU 9 H GLU 9 -20.388 -4.722 3.549 74 HA GLU 9 HA GLU 9 -17.652 -5.512 3.606 75 1HB GLU 9 1HB GLU 9 -19.180 -6.619 2.105 76 2HB GLU 9 2HB GLU 9 -19.578 -5.100 1.316 77 1HG GLU 9 1HG GLU 9 -17.842 -5.244 -0.060 78 2HG GLU 9 2HG GLU 9 -16.735 -5.663 1.248 79 H ILE 10 H ILE 10 -19.104 -2.495 3.337 80 HA ILE 10 HA ILE 10 -17.095 -1.270 1.665 81 HB ILE 10 HB ILE 10 -19.547 -0.263 3.102 82 1HG1 ILE 10 1HG1 ILE 10 -18.826 -0.203 0.173 83 2HG1 ILE 10 2HG1 ILE 10 -19.728 -1.512 0.930 84 1HG2 ILE 10 1HG2 ILE 10 -17.722 1.461 3.203 85 2HG2 ILE 10 2HG2 ILE 10 -17.760 1.492 1.440 86 3HG2 ILE 10 3HG2 ILE 10 -19.191 1.953 2.363 87 1HD1 ILE 10 1HD1 ILE 10 -20.745 1.241 1.308 88 2HD1 ILE 10 2HD1 ILE 10 -20.911 0.515 -0.290 89 3HD1 ILE 10 3HD1 ILE 10 -21.619 -0.277 1.116 90 H SER 11 H SER 11 -17.909 -1.637 5.041 91 HA SER 11 HA SER 11 -16.019 0.314 5.978 92 1HB SER 11 1HB SER 11 -18.168 -0.608 7.167 93 2HB SER 11 2HB SER 11 -17.093 -1.901 7.698 94 HG SER 11 HG SER 11 -16.422 0.821 8.032 95 H HIS 12 H HIS 12 -16.057 -3.083 5.251 96 HA HIS 12 HA HIS 12 -13.613 -3.709 6.587 97 1HB HIS 12 1HB HIS 12 -14.606 -5.714 6.300 98 2HB HIS 12 2HB HIS 12 -15.634 -5.109 5.013 99 HD1 HIS 12 HD1 HIS 12 -12.395 -6.890 5.616 100 HD2 HIS 12 HD2 HIS 12 -14.757 -5.663 2.428 101 HE1 HIS 12 HE1 HIS 12 -11.451 -8.055 3.596 102 HE2 HIS 12 HE2 HIS 12 -12.897 -7.300 1.675 103 H HIS 13 H HIS 13 -14.495 -3.120 3.168 104 HA HIS 13 HA HIS 13 -11.908 -3.361 2.122 105 1HB HIS 13 1HB HIS 13 -14.154 -1.573 1.166 106 2HB HIS 13 2HB HIS 13 -12.715 -1.986 0.242 107 HD1 HIS 13 HD1 HIS 13 -12.826 -5.081 1.109 108 HD2 HIS 13 HD2 HIS 13 -15.859 -2.824 -0.607 109 HE1 HIS 13 HE1 HIS 13 -14.337 -6.743 -0.027 110 HE2 HIS 13 HE2 HIS 13 -16.171 -5.356 -1.056 111 H ALA 14 H ALA 14 -13.559 -0.671 3.671 112 HA ALA 14 HA ALA 14 -11.763 1.380 3.047 113 1HB ALA 14 1HB ALA 14 -12.902 1.487 5.753 114 2HB ALA 14 2HB ALA 14 -14.079 1.228 4.465 115 3HB ALA 14 3HB ALA 14 -13.023 2.639 4.422 116 H LYS 15 H LYS 15 -11.875 -0.733 5.912 117 HA LYS 15 HA LYS 15 -9.523 0.223 7.104 118 1HB LYS 15 1HB LYS 15 -11.312 -1.277 8.132 119 2HB LYS 15 2HB LYS 15 -10.521 -2.615 7.312 120 1HG LYS 15 1HG LYS 15 -8.423 -2.025 8.513 121 2HG LYS 15 2HG LYS 15 -9.342 -0.826 9.424 122 1HD LYS 15 1HD LYS 15 -10.246 -2.381 10.759 123 2HD LYS 15 2HD LYS 15 -10.593 -3.460 9.406 124 1HE LYS 15 1HE LYS 15 -8.583 -4.545 9.577 125 2HE LYS 15 2HE LYS 15 -7.765 -3.147 10.276 126 1HZ LYS 15 1HZ LYS 15 -9.873 -4.452 11.840 127 2HZ LYS 15 2HZ LYS 15 -8.372 -5.222 11.726 128 3HZ LYS 15 3HZ LYS 15 -8.474 -3.659 12.366 129 H GLU 16 H GLU 16 -10.044 -1.821 4.382 130 HA GLU 16 HA GLU 16 -7.500 -3.127 4.434 131 1HB GLU 16 1HB GLU 16 -9.871 -3.106 2.724 132 2HB GLU 16 2HB GLU 16 -8.371 -3.238 1.815 133 1HG GLU 16 1HG GLU 16 -9.357 -5.067 3.988 134 2HG GLU 16 2HG GLU 16 -9.170 -5.433 2.274 135 H ILE 17 H ILE 17 -8.818 -0.256 2.818 136 HA ILE 17 HA ILE 17 -6.510 0.199 1.214 137 HB ILE 17 HB ILE 17 -7.512 2.173 0.496 138 1HG1 ILE 17 1HG1 ILE 17 -9.623 2.951 2.038 139 2HG1 ILE 17 2HG1 ILE 17 -8.517 2.362 3.272 140 1HG2 ILE 17 1HG2 ILE 17 -9.073 -0.122 0.748 141 2HG2 ILE 17 2HG2 ILE 17 -10.144 1.222 1.146 142 3HG2 ILE 17 3HG2 ILE 17 -9.288 1.204 -0.394 143 1HD1 ILE 17 1HD1 ILE 17 -7.584 4.279 1.180 144 2HD1 ILE 17 2HD1 ILE 17 -8.440 4.840 2.616 145 3HD1 ILE 17 3HD1 ILE 17 -6.919 3.964 2.782 146 H GLU 18 H GLU 18 -7.478 1.193 4.434 147 HA GLU 18 HA GLU 18 -5.393 3.118 4.770 148 1HB GLU 18 1HB GLU 18 -7.679 2.699 6.085 149 2HB GLU 18 2HB GLU 18 -6.609 1.780 7.134 150 1HG GLU 18 1HG GLU 18 -5.152 3.950 7.041 151 2HG GLU 18 2HG GLU 18 -6.678 4.705 6.585 152 H ARG 19 H ARG 19 -5.818 -0.282 5.643 153 HA ARG 19 HA ARG 19 -3.387 -0.507 7.095 154 1HB ARG 19 1HB ARG 19 -5.424 -2.381 6.017 155 2HB ARG 19 2HB ARG 19 -3.831 -3.046 6.349 156 1HG ARG 19 1HG ARG 19 -4.082 -1.943 8.657 157 2HG ARG 19 2HG ARG 19 -5.795 -1.833 8.251 158 1HD ARG 19 1HD ARG 19 -6.122 -4.051 8.479 159 2HD ARG 19 2HD ARG 19 -4.562 -4.456 7.763 160 HE ARG 19 HE ARG 19 -3.899 -3.438 10.185 161 1HH1 ARG 19 1HH1 ARG 19 -6.089 -5.937 9.142 162 2HH1 ARG 19 2HH1 ARG 19 -5.919 -6.870 10.592 163 1HH2 ARG 19 1HH2 ARG 19 -3.667 -4.659 12.097 164 2HH2 ARG 19 2HH2 ARG 19 -4.542 -6.142 12.273 165 H LEU 20 H LEU 20 -4.250 -0.769 3.728 166 HA LEU 20 HA LEU 20 -1.874 -2.058 2.855 167 1HB LEU 20 1HB LEU 20 -4.291 -1.282 1.709 168 2HB LEU 20 2HB LEU 20 -3.091 -0.310 0.882 169 HG LEU 20 HG LEU 20 -3.325 -2.222 -0.451 170 1HD1 LEU 20 1HD1 LEU 20 -0.911 -1.727 0.866 171 2HD1 LEU 20 2HD1 LEU 20 -1.093 -3.481 0.848 172 3HD1 LEU 20 3HD1 LEU 20 -1.145 -2.573 -0.662 173 1HD2 LEU 20 1HD2 LEU 20 -3.663 -3.591 2.143 174 2HD2 LEU 20 2HD2 LEU 20 -4.489 -3.846 0.606 175 3HD2 LEU 20 3HD2 LEU 20 -2.879 -4.516 0.862 176 H GLN 21 H GLN 21 -2.876 1.309 3.192 177 HA GLN 21 HA GLN 21 -0.657 2.501 1.945 178 1HB GLN 21 1HB GLN 21 -2.637 3.798 2.419 179 2HB GLN 21 2HB GLN 21 -2.466 3.512 4.145 180 1HG GLN 21 1HG GLN 21 -1.700 5.685 3.839 181 2HG GLN 21 2HG GLN 21 -0.229 4.718 3.949 182 2HE2 GLN 21 2HE2 GLN 21 -2.421 6.324 1.723 183 1HE2 GLN 21 1HE2 GLN 21 -1.269 6.547 0.455 184 H LYS 22 H LYS 22 -1.260 1.668 5.344 185 HA LYS 22 HA LYS 22 1.148 2.662 6.384 186 1HB LYS 22 1HB LYS 22 -0.882 0.674 7.286 187 2HB LYS 22 2HB LYS 22 0.664 0.710 8.121 188 1HG LYS 22 1HG LYS 22 0.242 2.697 9.105 189 2HG LYS 22 2HG LYS 22 -0.669 3.313 7.725 190 1HD LYS 22 1HD LYS 22 -2.113 2.990 9.672 191 2HD LYS 22 2HD LYS 22 -2.572 1.916 8.349 192 1HE LYS 22 1HE LYS 22 -2.132 0.081 9.548 193 2HE LYS 22 2HE LYS 22 -0.603 0.733 10.138 194 1HZ LYS 22 1HZ LYS 22 -1.840 2.005 11.792 195 2HZ LYS 22 2HZ LYS 22 -3.295 1.347 11.235 196 3HZ LYS 22 3HZ LYS 22 -2.133 0.347 11.953 197 H GLU 23 H GLU 23 0.344 -0.377 4.834 198 HA GLU 23 HA GLU 23 2.702 -1.777 5.525 199 1HB GLU 23 1HB GLU 23 0.347 -2.355 4.160 200 2HB GLU 23 2HB GLU 23 1.602 -2.530 2.942 201 1HG GLU 23 1HG GLU 23 2.547 -4.323 3.965 202 2HG GLU 23 2HG GLU 23 2.067 -3.796 5.578 203 H ILE 24 H ILE 24 1.854 0.309 2.803 204 HA ILE 24 HA ILE 24 4.160 -0.193 1.265 205 HB ILE 24 HB ILE 24 3.480 1.441 -0.176 206 1HG1 ILE 24 1HG1 ILE 24 2.059 3.474 0.701 207 2HG1 ILE 24 2HG1 ILE 24 2.789 3.062 2.249 208 1HG2 ILE 24 1HG2 ILE 24 1.447 0.002 0.922 209 2HG2 ILE 24 2HG2 ILE 24 0.831 1.650 1.028 210 3HG2 ILE 24 3HG2 ILE 24 1.328 0.994 -0.528 211 1HD1 ILE 24 1HD1 ILE 24 4.844 3.094 0.302 212 2HD1 ILE 24 2HD1 ILE 24 3.887 4.565 0.121 213 3HD1 ILE 24 3HD1 ILE 24 4.610 4.171 1.680 214 H GLU 25 H GLU 25 3.477 2.138 3.819 215 HA GLU 25 HA GLU 25 5.860 3.619 3.645 216 1HB GLU 25 1HB GLU 25 3.763 4.185 4.972 217 2HB GLU 25 2HB GLU 25 4.344 3.062 6.194 218 1HG GLU 25 1HG GLU 25 5.139 5.032 7.019 219 2HG GLU 25 2HG GLU 25 6.518 4.511 6.052 220 H ARG 26 H ARG 26 5.024 0.679 5.416 221 HA ARG 26 HA ARG 26 7.330 0.413 6.956 222 1HB ARG 26 1HB ARG 26 5.192 -1.366 6.000 223 2HB ARG 26 2HB ARG 26 6.714 -2.182 6.329 224 1HG ARG 26 1HG ARG 26 6.486 -0.660 8.547 225 2HG ARG 26 2HG ARG 26 4.786 -0.958 8.174 226 1HD ARG 26 1HD ARG 26 6.201 -3.396 7.841 227 2HD ARG 26 2HD ARG 26 6.675 -2.701 9.391 228 HE ARG 26 HE ARG 26 3.954 -2.496 9.353 229 1HH1 ARG 26 1HH1 ARG 26 6.233 -5.103 8.979 230 2HH1 ARG 26 2HH1 ARG 26 5.169 -6.300 9.638 231 1HH2 ARG 26 1HH2 ARG 26 2.545 -4.065 10.223 232 2HH2 ARG 26 2HH2 ARG 26 3.072 -5.709 10.345 233 H HIS 27 H HIS 27 6.659 -0.619 3.636 234 HA HIS 27 HA HIS 27 9.156 -1.895 3.220 235 1HB HIS 27 1HB HIS 27 6.778 -1.491 1.748 236 2HB HIS 27 2HB HIS 27 8.082 -0.818 0.776 237 HD1 HIS 27 HD1 HIS 27 9.907 -2.474 -0.069 238 HD2 HIS 27 HD2 HIS 27 6.770 -4.264 1.988 239 HE1 HIS 27 HE1 HIS 27 10.108 -4.935 -0.546 240 HE2 HIS 27 HE2 HIS 27 8.200 -5.999 0.709 241 H LYS 28 H LYS 28 8.063 1.393 3.074 242 HA LYS 28 HA LYS 28 10.260 2.416 1.561 243 1HB LYS 28 1HB LYS 28 7.919 3.461 1.957 244 2HB LYS 28 2HB LYS 28 8.611 4.057 3.459 245 1HG LYS 28 1HG LYS 28 10.328 4.598 1.192 246 2HG LYS 28 2HG LYS 28 8.716 5.287 0.988 247 1HD LYS 28 1HD LYS 28 10.232 5.633 3.552 248 2HD LYS 28 2HD LYS 28 10.523 6.696 2.174 249 1HE LYS 28 1HE LYS 28 8.087 7.201 2.134 250 2HE LYS 28 2HE LYS 28 7.911 6.258 3.612 251 1HZ LYS 28 1HZ LYS 28 9.957 8.037 4.099 252 2HZ LYS 28 2HZ LYS 28 8.775 8.942 3.295 253 3HZ LYS 28 3HZ LYS 28 8.383 8.106 4.714 254 H GLN 29 H GLN 29 9.701 1.663 4.892 255 HA GLN 29 HA GLN 29 11.837 3.278 5.926 256 1HB GLN 29 1HB GLN 29 9.771 2.470 7.200 257 2HB GLN 29 2HB GLN 29 10.576 0.910 7.298 258 1HG GLN 29 1HG GLN 29 12.545 2.296 8.281 259 2HG GLN 29 2HG GLN 29 11.291 3.494 8.598 260 2HE2 GLN 29 2HE2 GLN 29 11.127 3.373 10.756 261 1HE2 GLN 29 1HE2 GLN 29 10.699 1.947 11.633 262 H SER 30 H SER 30 11.407 -0.101 5.004 263 HA SER 30 HA SER 30 13.981 -0.944 5.904 264 1HB SER 30 1HB SER 30 13.347 -2.840 4.099 265 2HB SER 30 2HB SER 30 12.659 -2.797 5.722 266 HG SER 30 HG SER 30 11.502 -1.825 3.323 267 H ILE 31 H ILE 31 12.679 0.239 2.863 268 HA ILE 31 HA ILE 31 15.048 -0.321 1.348 269 HB ILE 31 HB ILE 31 12.800 -0.163 0.319 270 1HG1 ILE 31 1HG1 ILE 31 15.246 0.628 -0.693 271 2HG1 ILE 31 2HG1 ILE 31 13.809 0.286 -1.638 272 1HG2 ILE 31 1HG2 ILE 31 12.102 1.793 1.740 273 2HG2 ILE 31 2HG2 ILE 31 13.028 2.816 0.644 274 3HG2 ILE 31 3HG2 ILE 31 11.660 1.885 0.034 275 1HD1 ILE 31 1HD1 ILE 31 14.392 3.036 -0.599 276 2HD1 ILE 31 2HD1 ILE 31 15.061 2.442 -2.119 277 3HD1 ILE 31 3HD1 ILE 31 13.313 2.553 -1.909 278 H LYS 32 H LYS 32 13.792 2.401 3.154 279 HA LYS 32 HA LYS 32 15.738 4.267 2.160 280 1HB LYS 32 1HB LYS 32 13.587 5.092 2.916 281 2HB LYS 32 2HB LYS 32 13.845 4.402 4.512 282 1HG LYS 32 1HG LYS 32 14.975 6.184 5.201 283 2HG LYS 32 2HG LYS 32 15.992 6.190 3.758 284 1HD LYS 32 1HD LYS 32 13.175 7.114 3.499 285 2HD LYS 32 2HD LYS 32 14.333 8.181 4.297 286 1HE LYS 32 1HE LYS 32 15.591 7.185 1.977 287 2HE LYS 32 2HE LYS 32 13.965 7.678 1.506 288 1HZ LYS 32 1HZ LYS 32 14.726 9.738 3.033 289 2HZ LYS 32 2HZ LYS 32 16.211 9.292 2.357 290 3HZ LYS 32 3HZ LYS 32 14.909 9.690 1.352 291 H LYS 33 H LYS 33 15.520 1.995 4.772 292 HA LYS 33 HA LYS 33 17.677 3.107 6.305 293 1HB LYS 33 1HB LYS 33 15.824 1.692 7.254 294 2HB LYS 33 2HB LYS 33 16.549 0.308 6.449 295 1HG LYS 33 1HG LYS 33 17.512 0.060 8.478 296 2HG LYS 33 2HG LYS 33 18.693 1.162 7.769 297 1HD LYS 33 1HD LYS 33 16.794 2.868 8.792 298 2HD LYS 33 2HD LYS 33 16.841 1.570 9.987 299 1HE LYS 33 1HE LYS 33 19.432 2.621 8.996 300 2HE LYS 33 2HE LYS 33 18.494 3.654 10.074 301 1HZ LYS 33 1HZ LYS 33 18.607 0.977 11.035 302 2HZ LYS 33 2HZ LYS 33 20.163 1.605 10.808 303 3HZ LYS 33 3HZ LYS 33 19.062 2.412 11.807 304 H LEU 34 H LEU 34 17.309 0.603 3.866 305 HA LEU 34 HA LEU 34 19.951 -0.435 4.117 306 1HB LEU 34 1HB LEU 34 17.636 -0.833 2.361 307 2HB LEU 34 2HB LEU 34 19.180 -1.047 1.558 308 HG LEU 34 HG LEU 34 18.628 -2.453 4.147 309 1HD1 LEU 34 1HD1 LEU 34 16.805 -2.787 2.308 310 2HD1 LEU 34 2HD1 LEU 34 18.044 -3.782 1.542 311 3HD1 LEU 34 3HD1 LEU 34 17.472 -4.178 3.164 312 1HD2 LEU 34 1HD2 LEU 34 20.911 -2.339 3.062 313 2HD2 LEU 34 2HD2 LEU 34 20.297 -3.953 3.414 314 3HD2 LEU 34 3HD2 LEU 34 20.242 -3.329 1.766 315 H LYS 35 H LYS 35 18.427 2.013 2.087 316 HA LYS 35 HA LYS 35 20.685 2.446 0.412 317 1HB LYS 35 1HB LYS 35 18.219 3.085 0.001 318 2HB LYS 35 2HB LYS 35 18.567 4.506 0.977 319 1HG LYS 35 1HG LYS 35 20.593 4.717 -0.716 320 2HG LYS 35 2HG LYS 35 19.494 3.797 -1.747 321 1HD LYS 35 1HD LYS 35 18.536 6.229 -0.285 322 2HD LYS 35 2HD LYS 35 19.414 6.386 -1.809 323 1HE LYS 35 1HE LYS 35 16.870 4.825 -1.362 324 2HE LYS 35 2HE LYS 35 17.010 6.373 -2.193 325 1HZ LYS 35 1HZ LYS 35 18.755 4.912 -3.569 326 2HZ LYS 35 2HZ LYS 35 17.657 3.702 -3.128 327 3HZ LYS 35 3HZ LYS 35 17.124 5.053 -3.993 328 H GLN 36 H GLN 36 19.588 3.808 3.454 329 HA GLN 36 HA GLN 36 21.426 5.981 3.500 330 1HB GLN 36 1HB GLN 36 19.254 5.654 4.865 331 2HB GLN 36 2HB GLN 36 20.254 4.706 5.958 332 1HG GLN 36 1HG GLN 36 20.712 6.611 6.992 333 2HG GLN 36 2HG GLN 36 21.711 7.018 5.597 334 2HE2 GLN 36 2HE2 GLN 36 19.883 8.536 7.523 335 1HE2 GLN 36 1HE2 GLN 36 18.926 9.522 6.478 336 H SER 37 H SER 37 21.538 2.643 4.547 337 HA SER 37 HA SER 37 23.873 2.849 6.143 338 1HB SER 37 1HB SER 37 23.852 0.485 6.225 339 2HB SER 37 2HB SER 37 22.154 0.945 6.102 340 HG SER 37 HG SER 37 23.052 -0.785 4.644 341 H GLU 38 H GLU 38 23.316 2.497 2.725 342 HA GLU 38 HA GLU 38 25.896 1.576 2.001 343 1HB GLU 38 1HB GLU 38 23.511 2.032 0.678 344 2HB GLU 38 2HB GLU 38 24.581 3.253 0.003 345 1HG GLU 38 1HG GLU 38 26.210 1.482 -0.534 346 2HG GLU 38 2HG GLU 38 25.063 0.283 0.063 347 H ASP 39 H ASP 39 24.601 4.709 2.751 348 HA ASP 39 HA ASP 39 26.864 6.132 1.635 349 1HB ASP 39 1HB ASP 39 24.219 6.810 2.394 350 2HB ASP 39 2HB ASP 39 25.303 7.761 3.405 351 H ASP 40 H ASP 40 25.876 4.807 4.675 352 HA ASP 40 HA ASP 40 26.993 4.532 6.639 353 1HB ASP 40 1HB ASP 40 29.101 5.159 4.744 354 2HB ASP 40 2HB ASP 40 29.478 5.775 6.350 355 H ASP 41 H ASP 41 28.736 7.481 5.782 356 HA ASP 41 HA ASP 41 27.852 8.764 8.189 357 1HB ASP 41 1HB ASP 41 30.081 9.004 6.643 358 2HB ASP 41 2HB ASP 41 29.169 10.421 6.133 359 H1 ALA 1 H1 ALA 1 33.870 -1.608 0.334 360 H2 ALA 1 H2 ALA 1 34.826 -1.773 -1.079 361 H3 ALA 1 H3 ALA 1 35.557 -1.299 0.399 362 HA ALA 1 HA ALA 1 34.379 0.728 0.401 363 1HB ALA 1 1HB ALA 1 36.231 -0.078 -1.681 364 2HB ALA 1 2HB ALA 1 36.205 1.383 -0.693 365 3HB ALA 1 3HB ALA 1 35.235 1.295 -2.163 366 H LEU 2 H LEU 2 34.020 -0.343 -2.964 367 HA LEU 2 HA LEU 2 31.359 0.855 -3.010 368 1HB LEU 2 1HB LEU 2 33.466 0.342 -4.963 369 2HB LEU 2 2HB LEU 2 31.874 -0.102 -5.550 370 HG LEU 2 HG LEU 2 31.193 2.281 -4.732 371 1HD1 LEU 2 1HD1 LEU 2 33.740 2.375 -3.846 372 2HD1 LEU 2 2HD1 LEU 2 33.924 3.111 -5.437 373 3HD1 LEU 2 3HD1 LEU 2 32.789 3.797 -4.275 374 1HD2 LEU 2 1HD2 LEU 2 32.688 1.509 -7.200 375 2HD2 LEU 2 2HD2 LEU 2 30.980 1.901 -6.997 376 3HD2 LEU 2 3HD2 LEU 2 32.189 3.183 -6.960 377 H LYS 3 H LYS 3 30.370 -0.819 -1.727 378 HA LYS 3 HA LYS 3 30.345 -3.528 -2.262 379 1HB LYS 3 1HB LYS 3 29.050 -1.882 -0.498 380 2HB LYS 3 2HB LYS 3 27.722 -2.439 -1.507 381 1HG LYS 3 1HG LYS 3 28.074 -3.830 0.495 382 2HG LYS 3 2HG LYS 3 28.237 -4.734 -1.013 383 1HD LYS 3 1HD LYS 3 30.344 -5.289 -0.542 384 2HD LYS 3 2HD LYS 3 30.768 -3.617 -0.172 385 1HE LYS 3 1HE LYS 3 29.423 -4.126 2.037 386 2HE LYS 3 2HE LYS 3 29.838 -5.792 1.637 387 1HZ LYS 3 1HZ LYS 3 32.172 -4.409 1.314 388 2HZ LYS 3 2HZ LYS 3 31.489 -3.721 2.700 389 3HZ LYS 3 3HZ LYS 3 31.767 -5.387 2.632 390 H LYS 4 H LYS 4 27.756 -1.286 -3.251 391 HA LYS 4 HA LYS 4 26.651 -1.077 -5.254 392 1HB LYS 4 1HB LYS 4 28.859 -2.497 -6.096 393 2HB LYS 4 2HB LYS 4 27.525 -3.552 -6.542 394 1HG LYS 4 1HG LYS 4 26.545 -1.889 -7.910 395 2HG LYS 4 2HG LYS 4 27.618 -0.640 -7.275 396 1HD LYS 4 1HD LYS 4 29.381 -1.311 -8.555 397 2HD LYS 4 2HD LYS 4 28.879 -3.003 -8.552 398 1HE LYS 4 1HE LYS 4 27.790 -2.769 -10.483 399 2HE LYS 4 2HE LYS 4 26.958 -1.323 -9.915 400 1HZ LYS 4 1HZ LYS 4 29.755 -1.307 -10.899 401 2HZ LYS 4 2HZ LYS 4 28.422 -0.999 -11.892 402 3HZ LYS 4 3HZ LYS 4 28.761 0.029 -10.593 403 H HIS 5 H HIS 5 27.016 -4.435 -4.119 404 HA HIS 5 HA HIS 5 24.656 -5.515 -5.006 405 1HB HIS 5 1HB HIS 5 25.736 -6.047 -2.240 406 2HB HIS 5 2HB HIS 5 24.862 -7.154 -3.293 407 HD1 HIS 5 HD1 HIS 5 26.973 -5.890 -5.659 408 HD2 HIS 5 HD2 HIS 5 27.699 -8.215 -2.291 409 HE1 HIS 5 HE1 HIS 5 29.174 -7.029 -6.089 410 HE2 HIS 5 HE2 HIS 5 29.595 -8.431 -4.038 411 H HIS 6 H HIS 6 25.163 -3.286 -2.359 412 HA HIS 6 HA HIS 6 22.682 -3.568 -1.075 413 1HB HIS 6 1HB HIS 6 24.564 -1.211 -1.289 414 2HB HIS 6 2HB HIS 6 23.121 -1.199 -0.281 415 HD1 HIS 6 HD1 HIS 6 25.138 -4.324 -0.476 416 HD2 HIS 6 HD2 HIS 6 24.711 -1.045 2.039 417 HE1 HIS 6 HE1 HIS 6 26.337 -4.944 1.646 418 HE2 HIS 6 HE2 HIS 6 26.066 -2.944 3.155 419 H GLU 7 H GLU 7 23.708 -1.168 -3.508 420 HA GLU 7 HA GLU 7 21.294 0.125 -3.851 421 1HB GLU 7 1HB GLU 7 23.429 0.855 -4.859 422 2HB GLU 7 2HB GLU 7 23.343 -0.491 -5.987 423 1HG GLU 7 1HG GLU 7 22.547 1.249 -7.254 424 2HG GLU 7 2HG GLU 7 21.057 0.531 -6.645 425 H ASN 8 H ASN 8 22.225 -3.058 -4.820 426 HA ASN 8 HA ASN 8 20.311 -3.425 -6.890 427 1HB ASN 8 1HB ASN 8 22.450 -4.858 -6.033 428 2HB ASN 8 2HB ASN 8 21.136 -5.797 -5.328 429 2HD2 ASN 8 2HD2 ASN 8 22.640 -7.027 -7.133 430 1HD2 ASN 8 1HD2 ASN 8 21.806 -7.204 -8.635 431 H GLU 9 H GLU 9 20.387 -4.720 -3.556 432 HA GLU 9 HA GLU 9 17.650 -5.511 -3.616 433 1HB GLU 9 1HB GLU 9 19.177 -6.623 -2.117 434 2HB GLU 9 2HB GLU 9 19.578 -5.105 -1.325 435 1HG GLU 9 1HG GLU 9 17.841 -5.249 0.050 436 2HG GLU 9 2HG GLU 9 16.734 -5.666 -1.257 437 H ILE 10 H ILE 10 19.103 -2.496 -3.343 438 HA ILE 10 HA ILE 10 17.090 -1.273 -1.671 439 HB ILE 10 HB ILE 10 19.551 -0.268 -3.095 440 1HG1 ILE 10 1HG1 ILE 10 18.819 -0.215 -0.168 441 2HG1 ILE 10 2HG1 ILE 10 19.724 -1.521 -0.927 442 1HG2 ILE 10 1HG2 ILE 10 17.276 1.322 -2.492 443 2HG2 ILE 10 2HG2 ILE 10 18.570 1.754 -1.379 444 3HG2 ILE 10 3HG2 ILE 10 18.847 1.823 -3.118 445 1HD1 ILE 10 1HD1 ILE 10 20.738 1.238 -1.286 446 2HD1 ILE 10 2HD1 ILE 10 20.908 0.494 0.304 447 3HD1 ILE 10 3HD1 ILE 10 21.615 -0.283 -1.112 448 H SER 11 H SER 11 17.907 -1.648 -5.045 449 HA SER 11 HA SER 11 16.026 0.314 -5.984 450 1HB SER 11 1HB SER 11 18.175 -0.613 -7.171 451 2HB SER 11 2HB SER 11 17.098 -1.902 -7.704 452 HG SER 11 HG SER 11 16.424 0.819 -8.035 453 H HIS 12 H HIS 12 16.058 -3.085 -5.260 454 HA HIS 12 HA HIS 12 13.614 -3.706 -6.598 455 1HB HIS 12 1HB HIS 12 14.604 -5.713 -6.310 456 2HB HIS 12 2HB HIS 12 15.632 -5.109 -5.024 457 HD1 HIS 12 HD1 HIS 12 12.392 -6.886 -5.628 458 HD2 HIS 12 HD2 HIS 12 14.755 -5.663 -2.438 459 HE1 HIS 12 HE1 HIS 12 11.448 -8.051 -3.607 460 HE2 HIS 12 HE2 HIS 12 12.894 -7.297 -1.687 461 H HIS 13 H HIS 13 14.496 -3.121 -3.177 462 HA HIS 13 HA HIS 13 11.910 -3.359 -2.131 463 1HB HIS 13 1HB HIS 13 14.158 -1.574 -1.175 464 2HB HIS 13 2HB HIS 13 12.719 -1.983 -0.252 465 HD1 HIS 13 HD1 HIS 13 12.827 -5.080 -1.120 466 HD2 HIS 13 HD2 HIS 13 15.860 -2.825 0.599 467 HE1 HIS 13 HE1 HIS 13 14.335 -6.743 0.017 468 HE2 HIS 13 HE2 HIS 13 16.171 -5.357 1.048 469 H ALA 14 H ALA 14 13.567 -0.665 -3.673 470 HA ALA 14 HA ALA 14 11.772 1.386 -3.050 471 1HB ALA 14 1HB ALA 14 14.087 1.231 -4.470 472 2HB ALA 14 2HB ALA 14 12.909 1.493 -5.756 473 3HB ALA 14 3HB ALA 14 13.032 2.644 -4.426 474 H LYS 15 H LYS 15 11.879 -0.731 -5.911 475 HA LYS 15 HA LYS 15 9.525 0.229 -7.101 476 1HB LYS 15 1HB LYS 15 11.315 -1.264 -8.137 477 2HB LYS 15 2HB LYS 15 10.529 -2.607 -7.319 478 1HG LYS 15 1HG LYS 15 8.425 -2.017 -8.513 479 2HG LYS 15 2HG LYS 15 9.343 -0.817 -9.426 480 1HD LYS 15 1HD LYS 15 10.247 -2.369 -10.762 481 2HD LYS 15 2HD LYS 15 10.594 -3.451 -9.411 482 1HE LYS 15 1HE LYS 15 8.582 -4.535 -9.583 483 2HE LYS 15 2HE LYS 15 7.766 -3.136 -10.279 484 1HZ LYS 15 1HZ LYS 15 9.872 -4.438 -11.846 485 2HZ LYS 15 2HZ LYS 15 8.370 -5.208 -11.731 486 3HZ LYS 15 3HZ LYS 15 8.473 -3.645 -12.371 487 H GLU 16 H GLU 16 10.049 -1.816 -4.381 488 HA GLU 16 HA GLU 16 7.505 -3.125 -4.439 489 1HB GLU 16 1HB GLU 16 9.880 -3.119 -2.737 490 2HB GLU 16 2HB GLU 16 8.384 -3.250 -1.822 491 1HG GLU 16 1HG GLU 16 9.355 -5.072 -4.007 492 2HG GLU 16 2HG GLU 16 9.174 -5.447 -2.294 493 H ILE 17 H ILE 17 8.824 -0.250 -2.836 494 HA ILE 17 HA ILE 17 6.522 0.191 -1.214 495 HB ILE 17 HB ILE 17 7.526 2.162 -0.488 496 1HG1 ILE 17 1HG1 ILE 17 9.636 2.942 -2.031 497 2HG1 ILE 17 2HG1 ILE 17 8.525 2.361 -3.266 498 1HG2 ILE 17 1HG2 ILE 17 9.080 -0.133 -0.745 499 2HG2 ILE 17 2HG2 ILE 17 10.156 1.204 -1.151 500 3HG2 ILE 17 3HG2 ILE 17 9.308 1.193 0.394 501 1HD1 ILE 17 1HD1 ILE 17 7.603 4.270 -1.161 502 2HD1 ILE 17 2HD1 ILE 17 8.457 4.838 -2.597 503 3HD1 ILE 17 3HD1 ILE 17 6.933 3.966 -2.764 504 H GLU 18 H GLU 18 7.480 1.191 -4.433 505 HA GLU 18 HA GLU 18 5.391 3.120 -4.749 506 1HB GLU 18 1HB GLU 18 7.679 2.736 -6.063 507 2HB GLU 18 2HB GLU 18 6.627 1.804 -7.119 508 1HG GLU 18 1HG GLU 18 5.138 3.954 -7.025 509 2HG GLU 18 2HG GLU 18 6.655 4.727 -6.568 510 H ARG 19 H ARG 19 5.834 -0.270 -5.647 511 HA ARG 19 HA ARG 19 3.413 -0.497 -7.110 512 1HB ARG 19 1HB ARG 19 5.448 -2.367 -6.028 513 2HB ARG 19 2HB ARG 19 3.855 -3.038 -6.350 514 1HG ARG 19 1HG ARG 19 4.099 -1.934 -8.665 515 2HG ARG 19 2HG ARG 19 5.815 -1.838 -8.263 516 1HD ARG 19 1HD ARG 19 6.123 -4.059 -8.484 517 2HD ARG 19 2HD ARG 19 4.559 -4.449 -7.768 518 HE ARG 19 HE ARG 19 3.899 -3.433 -10.188 519 1HH1 ARG 19 1HH1 ARG 19 6.091 -5.934 -9.155 520 2HH1 ARG 19 2HH1 ARG 19 5.920 -6.864 -10.606 521 1HH2 ARG 19 1HH2 ARG 19 3.666 -4.650 -12.103 522 2HH2 ARG 19 2HH2 ARG 19 4.541 -6.133 -12.282 523 H LEU 20 H LEU 20 4.261 -0.815 -3.733 524 HA LEU 20 HA LEU 20 1.883 -2.089 -2.879 525 1HB LEU 20 1HB LEU 20 4.271 -1.231 -1.700 526 2HB LEU 20 2HB LEU 20 3.016 -0.308 -0.896 527 HG LEU 20 HG LEU 20 3.331 -2.226 0.430 528 1HD1 LEU 20 1HD1 LEU 20 0.899 -1.763 -0.872 529 2HD1 LEU 20 2HD1 LEU 20 1.110 -3.514 -0.857 530 3HD1 LEU 20 3HD1 LEU 20 1.158 -2.608 0.656 531 1HD2 LEU 20 1HD2 LEU 20 3.681 -3.566 -2.175 532 2HD2 LEU 20 2HD2 LEU 20 4.509 -3.828 -0.641 533 3HD2 LEU 20 3HD2 LEU 20 2.907 -4.516 -0.906 534 H GLN 21 H GLN 21 2.885 1.301 -3.092 535 HA GLN 21 HA GLN 21 0.636 2.475 -1.935 536 1HB GLN 21 1HB GLN 21 2.617 3.776 -2.399 537 2HB GLN 21 2HB GLN 21 2.453 3.490 -4.126 538 1HG GLN 21 1HG GLN 21 1.676 5.658 -3.833 539 2HG GLN 21 2HG GLN 21 0.206 4.689 -3.928 540 2HE2 GLN 21 2HE2 GLN 21 2.413 6.308 -1.724 541 1HE2 GLN 21 1HE2 GLN 21 1.269 6.537 -0.450 542 H LYS 22 H LYS 22 1.265 1.661 -5.341 543 HA LYS 22 HA LYS 22 -1.145 2.645 -6.381 544 1HB LYS 22 1HB LYS 22 0.892 0.664 -7.283 545 2HB LYS 22 2HB LYS 22 -0.654 0.691 -8.118 546 1HG LYS 22 1HG LYS 22 -0.245 2.680 -9.104 547 2HG LYS 22 2HG LYS 22 0.665 3.302 -7.723 548 1HD LYS 22 1HD LYS 22 2.113 2.988 -9.665 549 2HD LYS 22 2HD LYS 22 2.572 1.908 -8.347 550 1HE LYS 22 1HE LYS 22 2.140 0.079 -9.557 551 2HE LYS 22 2HE LYS 22 0.609 0.729 -10.142 552 1HZ LYS 22 1HZ LYS 22 1.841 2.014 -11.790 553 2HZ LYS 22 2HZ LYS 22 3.298 1.355 -11.239 554 3HZ LYS 22 3HZ LYS 22 2.138 0.358 -11.961 555 H GLU 23 H GLU 23 -0.348 -0.377 -4.806 556 HA GLU 23 HA GLU 23 -2.705 -1.783 -5.509 557 1HB GLU 23 1HB GLU 23 -0.352 -2.358 -4.133 558 2HB GLU 23 2HB GLU 23 -1.616 -2.538 -2.924 559 1HG GLU 23 1HG GLU 23 -2.543 -4.336 -3.953 560 2HG GLU 23 2HG GLU 23 -2.071 -3.797 -5.564 561 H ILE 24 H ILE 24 -1.866 0.310 -2.787 562 HA ILE 24 HA ILE 24 -4.179 -0.195 -1.260 563 HB ILE 24 HB ILE 24 -3.512 1.449 0.182 564 1HG1 ILE 24 1HG1 ILE 24 -2.049 3.456 -0.700 565 2HG1 ILE 24 2HG1 ILE 24 -2.788 3.045 -2.244 566 1HG2 ILE 24 1HG2 ILE 24 -1.602 -0.085 -0.346 567 2HG2 ILE 24 2HG2 ILE 24 -0.935 1.208 -1.340 568 3HG2 ILE 24 3HG2 ILE 24 -1.158 1.453 0.390 569 1HD1 ILE 24 1HD1 ILE 24 -4.839 3.116 -0.296 570 2HD1 ILE 24 2HD1 ILE 24 -3.860 4.573 -0.119 571 3HD1 ILE 24 3HD1 ILE 24 -4.589 4.187 -1.678 572 H GLU 25 H GLU 25 -3.484 2.130 -3.816 573 HA GLU 25 HA GLU 25 -5.863 3.619 -3.644 574 1HB GLU 25 1HB GLU 25 -3.761 4.179 -4.968 575 2HB GLU 25 2HB GLU 25 -4.347 3.059 -6.192 576 1HG GLU 25 1HG GLU 25 -5.131 5.035 -7.013 577 2HG GLU 25 2HG GLU 25 -6.515 4.513 -6.052 578 H ARG 26 H ARG 26 -5.029 0.679 -5.415 579 HA ARG 26 HA ARG 26 -7.334 0.415 -6.955 580 1HB ARG 26 1HB ARG 26 -5.195 -1.366 -6.001 581 2HB ARG 26 2HB ARG 26 -6.718 -2.182 -6.334 582 1HG ARG 26 1HG ARG 26 -6.487 -0.654 -8.548 583 2HG ARG 26 2HG ARG 26 -4.788 -0.953 -8.174 584 1HD ARG 26 1HD ARG 26 -6.204 -3.391 -7.847 585 2HD ARG 26 2HD ARG 26 -6.676 -2.693 -9.395 586 HE ARG 26 HE ARG 26 -3.955 -2.488 -9.357 587 1HH1 ARG 26 1HH1 ARG 26 -6.233 -5.096 -8.987 588 2HH1 ARG 26 2HH1 ARG 26 -5.168 -6.292 -9.647 589 1HH2 ARG 26 1HH2 ARG 26 -2.545 -4.055 -10.229 590 2HH2 ARG 26 2HH2 ARG 26 -3.071 -5.701 -10.353 591 H HIS 27 H HIS 27 -6.662 -0.610 -3.633 592 HA HIS 27 HA HIS 27 -9.158 -1.893 -3.218 593 1HB HIS 27 1HB HIS 27 -6.780 -1.488 -1.747 594 2HB HIS 27 2HB HIS 27 -8.083 -0.817 -0.773 595 HD1 HIS 27 HD1 HIS 27 -9.903 -2.476 0.075 596 HD2 HIS 27 HD2 HIS 27 -6.771 -4.261 -1.995 597 HE1 HIS 27 HE1 HIS 27 -10.101 -4.938 0.546 598 HE2 HIS 27 HE2 HIS 27 -8.196 -5.999 -0.716 599 H LYS 28 H LYS 28 -8.064 1.396 -3.071 600 HA LYS 28 HA LYS 28 -10.260 2.417 -1.556 601 1HB LYS 28 1HB LYS 28 -7.919 3.462 -1.952 602 2HB LYS 28 2HB LYS 28 -8.612 4.061 -3.452 603 1HG LYS 28 1HG LYS 28 -10.326 4.598 -1.183 604 2HG LYS 28 2HG LYS 28 -8.715 5.286 -0.980 605 1HD LYS 28 1HD LYS 28 -10.233 5.637 -3.540 606 2HD LYS 28 2HD LYS 28 -10.522 6.698 -2.160 607 1HE LYS 28 1HE LYS 28 -8.086 7.203 -2.122 608 2HE LYS 28 2HE LYS 28 -7.911 6.261 -3.602 609 1HZ LYS 28 1HZ LYS 28 -9.957 8.040 -4.086 610 2HZ LYS 28 2HZ LYS 28 -8.774 8.944 -3.282 611 3HZ LYS 28 3HZ LYS 28 -8.383 8.110 -4.702 612 H GLN 29 H GLN 29 -9.701 1.670 -4.888 613 HA GLN 29 HA GLN 29 -11.838 3.286 -5.919 614 1HB GLN 29 1HB GLN 29 -9.773 2.479 -7.195 615 2HB GLN 29 2HB GLN 29 -10.576 0.918 -7.294 616 1HG GLN 29 1HG GLN 29 -12.547 2.304 -8.277 617 2HG GLN 29 2HG GLN 29 -11.293 3.503 -8.592 618 2HE2 GLN 29 2HE2 GLN 29 -11.128 3.384 -10.750 619 1HE2 GLN 29 1HE2 GLN 29 -10.699 1.959 -11.628 620 H SER 30 H SER 30 -11.407 -0.095 -5.006 621 HA SER 30 HA SER 30 -13.982 -0.937 -5.905 622 1HB SER 30 1HB SER 30 -13.348 -2.836 -4.104 623 2HB SER 30 2HB SER 30 -12.658 -2.790 -5.726 624 HG SER 30 HG SER 30 -11.505 -1.825 -3.324 625 H ILE 31 H ILE 31 -12.679 0.242 -2.862 626 HA ILE 31 HA ILE 31 -15.047 -0.322 -1.347 627 HB ILE 31 HB ILE 31 -12.800 -0.164 -0.320 628 1HG1 ILE 31 1HG1 ILE 31 -15.246 0.627 0.695 629 2HG1 ILE 31 2HG1 ILE 31 -13.808 0.284 1.639 630 1HG2 ILE 31 1HG2 ILE 31 -12.104 1.794 -1.740 631 2HG2 ILE 31 2HG2 ILE 31 -13.029 2.816 -0.640 632 3HG2 ILE 31 3HG2 ILE 31 -11.660 1.883 -0.036 633 1HD1 ILE 31 1HD1 ILE 31 -14.389 3.036 0.602 634 2HD1 ILE 31 2HD1 ILE 31 -15.059 2.442 2.122 635 3HD1 ILE 31 3HD1 ILE 31 -13.311 2.551 1.911 636 H LYS 32 H LYS 32 -13.793 2.404 -3.149 637 HA LYS 32 HA LYS 32 -15.739 4.268 -2.153 638 1HB LYS 32 1HB LYS 32 -13.588 5.093 -2.911 639 2HB LYS 32 2HB LYS 32 -13.850 4.405 -4.507 640 1HG LYS 32 1HG LYS 32 -14.978 6.190 -5.190 641 2HG LYS 32 2HG LYS 32 -15.994 6.193 -3.746 642 1HD LYS 32 1HD LYS 32 -13.177 7.114 -3.488 643 2HD LYS 32 2HD LYS 32 -14.334 8.183 -4.283 644 1HE LYS 32 1HE LYS 32 -15.591 7.184 -1.964 645 2HE LYS 32 2HE LYS 32 -13.965 7.675 -1.493 646 1HZ LYS 32 1HZ LYS 32 -14.726 9.738 -3.015 647 2HZ LYS 32 2HZ LYS 32 -16.212 9.290 -2.340 648 3HZ LYS 32 3HZ LYS 32 -14.909 9.687 -1.334 649 H LYS 33 H LYS 33 -15.524 1.998 -4.766 650 HA LYS 33 HA LYS 33 -17.681 3.109 -6.298 651 1HB LYS 33 1HB LYS 33 -15.827 1.694 -7.246 652 2HB LYS 33 2HB LYS 33 -16.555 0.310 -6.444 653 1HG LYS 33 1HG LYS 33 -17.515 0.065 -8.475 654 2HG LYS 33 2HG LYS 33 -18.696 1.168 -7.766 655 1HD LYS 33 1HD LYS 33 -16.796 2.875 -8.783 656 2HD LYS 33 2HD LYS 33 -16.842 1.580 -9.980 657 1HE LYS 33 1HE LYS 33 -19.433 2.631 -8.989 658 2HE LYS 33 2HE LYS 33 -18.493 3.664 -10.065 659 1HZ LYS 33 1HZ LYS 33 -18.608 0.989 -11.031 660 2HZ LYS 33 2HZ LYS 33 -20.163 1.616 -10.804 661 3HZ LYS 33 3HZ LYS 33 -19.063 2.425 -11.800 662 H LEU 34 H LEU 34 -17.312 0.605 -3.860 663 HA LEU 34 HA LEU 34 -19.955 -0.432 -4.111 664 1HB LEU 34 1HB LEU 34 -17.640 -0.832 -2.354 665 2HB LEU 34 2HB LEU 34 -19.185 -1.051 -1.555 666 HG LEU 34 HG LEU 34 -18.629 -2.448 -4.146 667 1HD1 LEU 34 1HD1 LEU 34 -16.804 -2.785 -2.312 668 2HD1 LEU 34 2HD1 LEU 34 -18.041 -3.780 -1.544 669 3HD1 LEU 34 3HD1 LEU 34 -17.472 -4.176 -3.166 670 1HD2 LEU 34 1HD2 LEU 34 -20.913 -2.342 -3.063 671 2HD2 LEU 34 2HD2 LEU 34 -20.294 -3.954 -3.418 672 3HD2 LEU 34 3HD2 LEU 34 -20.241 -3.333 -1.768 673 H LYS 35 H LYS 35 -18.429 2.015 -2.083 674 HA LYS 35 HA LYS 35 -20.686 2.447 -0.405 675 1HB LYS 35 1HB LYS 35 -18.221 3.081 0.009 676 2HB LYS 35 2HB LYS 35 -18.564 4.504 -0.968 677 1HG LYS 35 1HG LYS 35 -20.591 4.719 0.722 678 2HG LYS 35 2HG LYS 35 -19.497 3.796 1.755 679 1HD LYS 35 1HD LYS 35 -18.529 6.227 0.295 680 2HD LYS 35 2HD LYS 35 -19.408 6.384 1.818 681 1HE LYS 35 1HE LYS 35 -16.868 4.819 1.370 682 2HE LYS 35 2HE LYS 35 -17.006 6.365 2.206 683 1HZ LYS 35 1HZ LYS 35 -18.755 4.902 3.576 684 2HZ LYS 35 2HZ LYS 35 -17.656 3.694 3.133 685 3HZ LYS 35 3HZ LYS 35 -17.124 5.042 4.004 686 H GLN 36 H GLN 36 -19.590 3.807 -3.446 687 HA GLN 36 HA GLN 36 -21.427 5.982 -3.488 688 1HB GLN 36 1HB GLN 36 -19.254 5.659 -4.853 689 2HB GLN 36 2HB GLN 36 -20.253 4.713 -5.948 690 1HG GLN 36 1HG GLN 36 -20.712 6.619 -6.979 691 2HG GLN 36 2HG GLN 36 -21.711 7.023 -5.584 692 2HE2 GLN 36 2HE2 GLN 36 -19.882 8.543 -7.508 693 1HE2 GLN 36 1HE2 GLN 36 -18.925 9.528 -6.460 694 H SER 37 H SER 37 -21.539 2.645 -4.537 695 HA SER 37 HA SER 37 -23.873 2.854 -6.134 696 1HB SER 37 1HB SER 37 -23.851 0.489 -6.221 697 2HB SER 37 2HB SER 37 -22.153 0.951 -6.097 698 HG SER 37 HG SER 37 -23.052 -0.782 -4.642 699 H GLU 38 H GLU 38 -23.316 2.496 -2.718 700 HA GLU 38 HA GLU 38 -25.895 1.574 -1.995 701 1HB GLU 38 1HB GLU 38 -23.510 2.027 -0.671 702 2HB GLU 38 2HB GLU 38 -24.581 3.247 0.006 703 1HG GLU 38 1HG GLU 38 -26.209 1.474 0.539 704 2HG GLU 38 2HG GLU 38 -25.062 0.276 -0.060 705 H ASP 39 H ASP 39 -24.601 4.708 -2.741 706 HA ASP 39 HA ASP 39 -26.864 6.129 -1.622 707 1HB ASP 39 1HB ASP 39 -24.219 6.808 -2.380 708 2HB ASP 39 2HB ASP 39 -25.303 7.760 -3.389 709 H ASP 40 H ASP 40 -25.876 4.809 -4.664 710 HA ASP 40 HA ASP 40 -26.994 4.537 -6.628 711 1HB ASP 40 1HB ASP 40 -29.101 5.162 -4.732 712 2HB ASP 40 2HB ASP 40 -29.478 5.779 -6.338 713 H ASP 41 H ASP 41 -28.737 7.485 -5.767 714 HA ASP 41 HA ASP 41 -27.853 8.771 -8.171 715 1HB ASP 41 1HB ASP 41 -30.081 9.009 -6.625 716 2HB ASP 41 2HB ASP 41 -29.169 10.425 -6.113 No H/Q in entry = 716 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -36.178 -6.940 2.805 2 H2 ALA 1 H2 ALA 1 -36.352 -8.596 3.211 3 H3 ALA 1 H3 ALA 1 -35.294 -7.596 4.122 4 HA ALA 1 HA ALA 1 -33.999 -8.910 2.722 5 1HB ALA 1 1HB ALA 1 -35.809 -9.475 1.140 6 2HB ALA 1 2HB ALA 1 -34.315 -9.000 0.331 7 3HB ALA 1 3HB ALA 1 -35.662 -7.865 0.433 8 H LEU 2 H LEU 2 -33.651 -6.511 3.976 9 HA LEU 2 HA LEU 2 -32.941 -4.358 2.307 10 1HB LEU 2 1HB LEU 2 -31.814 -5.047 5.022 11 2HB LEU 2 2HB LEU 2 -31.749 -3.478 4.241 12 HG LEU 2 HG LEU 2 -34.460 -4.064 4.300 13 1HD1 LEU 2 1HD1 LEU 2 -33.427 -5.846 6.051 14 2HD1 LEU 2 2HD1 LEU 2 -33.701 -4.462 7.110 15 3HD1 LEU 2 3HD1 LEU 2 -35.038 -5.143 6.184 16 1HD2 LEU 2 1HD2 LEU 2 -32.708 -2.390 6.085 17 2HD2 LEU 2 2HD2 LEU 2 -33.618 -1.876 4.664 18 3HD2 LEU 2 3HD2 LEU 2 -34.470 -2.343 6.136 19 H LYS 3 H LYS 3 -30.457 -3.545 2.716 20 HA LYS 3 HA LYS 3 -28.755 -5.713 1.673 21 1HB LYS 3 1HB LYS 3 -29.044 -2.858 0.799 22 2HB LYS 3 2HB LYS 3 -27.524 -3.705 0.546 23 1HG LYS 3 1HG LYS 3 -28.593 -4.074 -1.448 24 2HG LYS 3 2HG LYS 3 -29.037 -5.524 -0.544 25 1HD LYS 3 1HD LYS 3 -31.209 -4.780 -0.176 26 2HD LYS 3 2HD LYS 3 -30.785 -3.094 -0.474 27 1HE LYS 3 1HE LYS 3 -31.415 -3.313 -2.590 28 2HE LYS 3 2HE LYS 3 -30.186 -4.555 -2.823 29 1HZ LYS 3 1HZ LYS 3 -32.936 -5.044 -1.812 30 2HZ LYS 3 2HZ LYS 3 -32.413 -5.338 -3.394 31 3HZ LYS 3 3HZ LYS 3 -31.759 -6.223 -2.107 32 H LYS 4 H LYS 4 -28.340 -5.939 4.054 33 HA LYS 4 HA LYS 4 -26.699 -3.884 5.265 34 1HB LYS 4 1HB LYS 4 -28.286 -6.040 6.204 35 2HB LYS 4 2HB LYS 4 -26.637 -6.341 6.734 36 1HG LYS 4 1HG LYS 4 -27.491 -5.115 8.482 37 2HG LYS 4 2HG LYS 4 -26.707 -3.867 7.512 38 1HD LYS 4 1HD LYS 4 -28.749 -3.089 6.660 39 2HD LYS 4 2HD LYS 4 -29.609 -4.549 7.153 40 1HE LYS 4 1HE LYS 4 -28.603 -3.583 9.526 41 2HE LYS 4 2HE LYS 4 -29.035 -2.115 8.651 42 1HZ LYS 4 1HZ LYS 4 -31.142 -3.848 8.280 43 2HZ LYS 4 2HZ LYS 4 -30.730 -4.009 9.913 44 3HZ LYS 4 3HZ LYS 4 -31.112 -2.486 9.283 45 H HIS 5 H HIS 5 -26.291 -7.116 3.910 46 HA HIS 5 HA HIS 5 -23.700 -7.681 4.651 47 1HB HIS 5 1HB HIS 5 -23.561 -9.040 2.588 48 2HB HIS 5 2HB HIS 5 -25.079 -9.282 3.446 49 HD1 HIS 5 HD1 HIS 5 -27.201 -8.815 2.181 50 HD2 HIS 5 HD2 HIS 5 -23.817 -7.449 0.194 51 HE1 HIS 5 HE1 HIS 5 -27.998 -8.110 -0.098 52 HE2 HIS 5 HE2 HIS 5 -25.934 -7.286 -1.284 53 H HIS 6 H HIS 6 -24.849 -5.443 2.222 54 HA HIS 6 HA HIS 6 -22.419 -5.032 0.860 55 1HB HIS 6 1HB HIS 6 -25.055 -3.952 0.801 56 2HB HIS 6 2HB HIS 6 -23.923 -2.608 0.892 57 HD1 HIS 6 HD1 HIS 6 -23.290 -5.829 -0.979 58 HD2 HIS 6 HD2 HIS 6 -24.050 -1.814 -1.733 59 HE1 HIS 6 HE1 HIS 6 -22.947 -5.532 -3.453 60 HE2 HIS 6 HE2 HIS 6 -23.413 -3.094 -3.888 61 H GLU 7 H GLU 7 -23.960 -3.069 3.412 62 HA GLU 7 HA GLU 7 -21.965 -1.199 3.762 63 1HB GLU 7 1HB GLU 7 -24.320 -1.531 4.917 64 2HB GLU 7 2HB GLU 7 -23.349 -2.276 6.179 65 1HG GLU 7 1HG GLU 7 -22.116 -0.267 6.521 66 2HG GLU 7 2HG GLU 7 -22.847 0.485 5.104 67 H ASN 8 H ASN 8 -21.985 -4.538 4.646 68 HA ASN 8 HA ASN 8 -19.917 -4.409 6.606 69 1HB ASN 8 1HB ASN 8 -21.413 -6.526 5.193 70 2HB ASN 8 2HB ASN 8 -19.778 -6.968 5.678 71 2HD2 ASN 8 2HD2 ASN 8 -20.453 -8.424 7.214 72 1HD2 ASN 8 1HD2 ASN 8 -21.200 -7.944 8.695 73 H GLU 9 H GLU 9 -19.917 -5.635 3.252 74 HA GLU 9 HA GLU 9 -17.159 -5.953 3.008 75 1HB GLU 9 1HB GLU 9 -19.418 -5.605 1.104 76 2HB GLU 9 2HB GLU 9 -17.793 -5.371 0.475 77 1HG GLU 9 1HG GLU 9 -18.645 -7.662 0.168 78 2HG GLU 9 2HG GLU 9 -17.161 -7.591 1.116 79 H ILE 10 H ILE 10 -19.077 -3.097 3.082 80 HA ILE 10 HA ILE 10 -17.284 -1.385 1.699 81 HB ILE 10 HB ILE 10 -19.880 -1.189 2.735 82 1HG1 ILE 10 1HG1 ILE 10 -19.057 1.348 1.754 83 2HG1 ILE 10 2HG1 ILE 10 -18.191 0.107 0.853 84 1HG2 ILE 10 1HG2 ILE 10 -18.156 0.921 4.024 85 2HG2 ILE 10 2HG2 ILE 10 -19.917 0.957 3.931 86 3HG2 ILE 10 3HG2 ILE 10 -19.108 -0.312 4.851 87 1HD1 ILE 10 1HD1 ILE 10 -20.870 -0.742 1.060 88 2HD1 ILE 10 2HD1 ILE 10 -20.889 0.959 0.587 89 3HD1 ILE 10 3HD1 ILE 10 -19.994 -0.215 -0.379 90 H SER 11 H SER 11 -17.954 -1.850 5.174 91 HA SER 11 HA SER 11 -15.942 -0.121 6.098 92 1HB SER 11 1HB SER 11 -17.947 -1.422 7.314 93 2HB SER 11 2HB SER 11 -16.622 -2.503 7.744 94 HG SER 11 HG SER 11 -17.013 -0.743 9.246 95 H HIS 12 H HIS 12 -15.810 -3.353 4.876 96 HA HIS 12 HA HIS 12 -13.287 -4.011 6.053 97 1HB HIS 12 1HB HIS 12 -14.112 -6.031 5.523 98 2HB HIS 12 2HB HIS 12 -15.305 -5.330 4.444 99 HD1 HIS 12 HD1 HIS 12 -11.740 -6.608 4.415 100 HD2 HIS 12 HD2 HIS 12 -14.843 -5.756 1.787 101 HE1 HIS 12 HE1 HIS 12 -10.984 -7.482 2.180 102 HE2 HIS 12 HE2 HIS 12 -12.879 -6.958 0.603 103 H HIS 13 H HIS 13 -14.326 -2.922 2.820 104 HA HIS 13 HA HIS 13 -11.761 -2.934 1.658 105 1HB HIS 13 1HB HIS 13 -14.089 -1.127 0.993 106 2HB HIS 13 2HB HIS 13 -12.694 -1.431 -0.032 107 HD1 HIS 13 HD1 HIS 13 -12.770 -4.604 0.551 108 HD2 HIS 13 HD2 HIS 13 -15.864 -2.201 -0.819 109 HE1 HIS 13 HE1 HIS 13 -14.339 -6.158 -0.656 110 HE2 HIS 13 HE2 HIS 13 -16.210 -4.682 -1.478 111 H ALA 14 H ALA 14 -13.363 -0.708 3.790 112 HA ALA 14 HA ALA 14 -11.708 1.549 3.299 113 1HB ALA 14 1HB ALA 14 -13.599 0.757 5.476 114 2HB ALA 14 2HB ALA 14 -12.541 2.151 5.697 115 3HB ALA 14 3HB ALA 14 -13.685 2.116 4.354 116 H LYS 15 H LYS 15 -11.740 -0.836 5.956 117 HA LYS 15 HA LYS 15 -9.343 0.057 7.139 118 1HB LYS 15 1HB LYS 15 -11.258 -1.975 7.615 119 2HB LYS 15 2HB LYS 15 -9.690 -2.765 7.536 120 1HG LYS 15 1HG LYS 15 -8.928 -1.759 9.422 121 2HG LYS 15 2HG LYS 15 -9.894 -0.304 9.171 122 1HD LYS 15 1HD LYS 15 -11.919 -1.807 9.662 123 2HD LYS 15 2HD LYS 15 -10.739 -2.952 10.306 124 1HE LYS 15 1HE LYS 15 -9.890 -0.897 11.658 125 2HE LYS 15 2HE LYS 15 -11.482 -0.229 11.299 126 1HZ LYS 15 1HZ LYS 15 -11.488 -2.945 12.301 127 2HZ LYS 15 2HZ LYS 15 -10.946 -1.783 13.406 128 3HZ LYS 15 3HZ LYS 15 -12.480 -1.637 12.709 129 H GLU 16 H GLU 16 -9.963 -1.745 4.291 130 HA GLU 16 HA GLU 16 -7.431 -3.092 4.195 131 1HB GLU 16 1HB GLU 16 -9.716 -2.750 2.279 132 2HB GLU 16 2HB GLU 16 -8.189 -3.432 1.736 133 1HG GLU 16 1HG GLU 16 -9.684 -4.536 4.089 134 2HG GLU 16 2HG GLU 16 -10.007 -5.055 2.436 135 H ILE 17 H ILE 17 -8.822 -0.132 2.818 136 HA ILE 17 HA ILE 17 -6.549 0.388 1.155 137 HB ILE 17 HB ILE 17 -7.590 2.370 0.509 138 1HG1 ILE 17 1HG1 ILE 17 -9.703 3.061 2.076 139 2HG1 ILE 17 2HG1 ILE 17 -8.600 2.429 3.295 140 1HG2 ILE 17 1HG2 ILE 17 -9.086 0.036 0.673 141 2HG2 ILE 17 2HG2 ILE 17 -10.191 1.324 1.147 142 3HG2 ILE 17 3HG2 ILE 17 -9.353 1.406 -0.399 143 1HD1 ILE 17 1HD1 ILE 17 -6.864 3.981 2.425 144 2HD1 ILE 17 2HD1 ILE 17 -8.093 4.684 1.373 145 3HD1 ILE 17 3HD1 ILE 17 -8.272 4.780 3.126 146 H GLU 18 H GLU 18 -7.499 1.278 4.410 147 HA GLU 18 HA GLU 18 -5.395 3.201 4.754 148 1HB GLU 18 1HB GLU 18 -7.724 2.763 6.056 149 2HB GLU 18 2HB GLU 18 -6.612 1.940 7.141 150 1HG GLU 18 1HG GLU 18 -5.668 3.855 7.847 151 2HG GLU 18 2HG GLU 18 -5.781 4.622 6.265 152 H ARG 19 H ARG 19 -5.871 -0.209 5.462 153 HA ARG 19 HA ARG 19 -3.496 -0.498 7.019 154 1HB ARG 19 1HB ARG 19 -5.470 -2.035 7.134 155 2HB ARG 19 2HB ARG 19 -5.032 -2.644 5.545 156 1HG ARG 19 1HG ARG 19 -3.034 -3.602 6.352 157 2HG ARG 19 2HG ARG 19 -3.147 -2.729 7.881 158 1HD ARG 19 1HD ARG 19 -5.199 -4.740 6.987 159 2HD ARG 19 2HD ARG 19 -3.780 -5.179 7.937 160 HE ARG 19 HE ARG 19 -5.239 -3.048 9.139 161 1HH1 ARG 19 1HH1 ARG 19 -5.199 -6.501 8.687 162 2HH1 ARG 19 2HH1 ARG 19 -6.084 -6.832 10.138 163 1HH2 ARG 19 1HH2 ARG 19 -6.404 -3.472 11.053 164 2HH2 ARG 19 2HH2 ARG 19 -6.770 -5.109 11.484 165 H LEU 20 H LEU 20 -4.287 -0.740 3.618 166 HA LEU 20 HA LEU 20 -1.865 -2.009 2.824 167 1HB LEU 20 1HB LEU 20 -3.919 -0.405 1.306 168 2HB LEU 20 2HB LEU 20 -2.523 -1.138 0.539 169 HG LEU 20 HG LEU 20 -4.362 -2.855 2.152 170 1HD1 LEU 20 1HD1 LEU 20 -5.392 -1.271 0.176 171 2HD1 LEU 20 2HD1 LEU 20 -4.976 -2.743 -0.699 172 3HD1 LEU 20 3HD1 LEU 20 -6.055 -2.820 0.694 173 1HD2 LEU 20 1HD2 LEU 20 -2.173 -3.180 0.273 174 2HD2 LEU 20 2HD2 LEU 20 -2.852 -4.325 1.430 175 3HD2 LEU 20 3HD2 LEU 20 -3.586 -4.140 -0.163 176 H GLN 21 H GLN 21 -2.957 1.340 3.055 177 HA GLN 21 HA GLN 21 -0.720 2.546 1.849 178 1HB GLN 21 1HB GLN 21 -3.092 3.460 2.787 179 2HB GLN 21 2HB GLN 21 -2.017 4.010 4.066 180 1HG GLN 21 1HG GLN 21 -1.287 4.543 1.229 181 2HG GLN 21 2HG GLN 21 -2.533 5.523 2.001 182 2HE2 GLN 21 2HE2 GLN 21 0.822 4.516 2.169 183 1HE2 GLN 21 1HE2 GLN 21 1.378 5.864 3.097 184 H LYS 22 H LYS 22 -1.409 1.675 5.211 185 HA LYS 22 HA LYS 22 0.902 2.824 6.341 186 1HB LYS 22 1HB LYS 22 -0.923 0.596 7.220 187 2HB LYS 22 2HB LYS 22 0.474 1.076 8.175 188 1HG LYS 22 1HG LYS 22 -0.412 3.299 8.442 189 2HG LYS 22 2HG LYS 22 -1.760 2.924 7.366 190 1HD LYS 22 1HD LYS 22 -1.474 1.052 9.594 191 2HD LYS 22 2HD LYS 22 -1.794 2.712 10.099 192 1HE LYS 22 1HE LYS 22 -3.573 2.443 8.078 193 2HE LYS 22 2HE LYS 22 -3.521 0.790 8.689 194 1HZ LYS 22 1HZ LYS 22 -4.055 3.202 10.338 195 2HZ LYS 22 2HZ LYS 22 -5.234 2.129 9.775 196 3HZ LYS 22 3HZ LYS 22 -4.068 1.600 10.881 197 H GLU 23 H GLU 23 0.274 -0.305 4.868 198 HA GLU 23 HA GLU 23 2.691 -1.553 5.642 199 1HB GLU 23 1HB GLU 23 0.392 -2.263 4.187 200 2HB GLU 23 2HB GLU 23 1.741 -2.494 3.083 201 1HG GLU 23 1HG GLU 23 2.815 -3.993 4.602 202 2HG GLU 23 2HG GLU 23 1.631 -3.641 5.861 203 H ILE 24 H ILE 24 1.788 0.393 2.834 204 HA ILE 24 HA ILE 24 4.147 -0.039 1.357 205 HB ILE 24 HB ILE 24 3.410 1.504 -0.154 206 1HG1 ILE 24 1HG1 ILE 24 1.883 3.502 0.635 207 2HG1 ILE 24 2HG1 ILE 24 2.624 3.183 2.200 208 1HG2 ILE 24 1HG2 ILE 24 1.499 -0.057 0.703 209 2HG2 ILE 24 2HG2 ILE 24 0.774 1.464 1.222 210 3HG2 ILE 24 3HG2 ILE 24 1.167 1.211 -0.477 211 1HD1 ILE 24 1HD1 ILE 24 4.684 3.236 0.258 212 2HD1 ILE 24 2HD1 ILE 24 3.660 4.653 0.017 213 3HD1 ILE 24 3HD1 ILE 24 4.395 4.353 1.592 214 H GLU 25 H GLU 25 3.300 2.315 3.835 215 HA GLU 25 HA GLU 25 5.591 3.929 3.661 216 1HB GLU 25 1HB GLU 25 3.351 4.169 5.047 217 2HB GLU 25 2HB GLU 25 4.308 3.406 6.309 218 1HG GLU 25 1HG GLU 25 5.867 5.181 6.332 219 2HG GLU 25 2HG GLU 25 5.217 5.862 4.841 220 H ARG 26 H ARG 26 4.914 0.985 5.500 221 HA ARG 26 HA ARG 26 7.226 0.883 7.048 222 1HB ARG 26 1HB ARG 26 5.087 -0.691 6.887 223 2HB ARG 26 2HB ARG 26 6.165 -1.650 5.882 224 1HG ARG 26 1HG ARG 26 7.821 -1.531 7.799 225 2HG ARG 26 2HG ARG 26 6.485 -0.910 8.771 226 1HD ARG 26 1HD ARG 26 5.606 -2.944 9.012 227 2HD ARG 26 2HD ARG 26 5.716 -3.268 7.281 228 HE ARG 26 HE ARG 26 8.278 -3.506 8.333 229 1HH1 ARG 26 1HH1 ARG 26 5.183 -5.071 8.642 230 2HH1 ARG 26 2HH1 ARG 26 5.858 -6.619 9.026 231 1HH2 ARG 26 1HH2 ARG 26 9.179 -5.540 8.839 232 2HH2 ARG 26 2HH2 ARG 26 8.130 -6.885 9.139 233 H HIS 27 H HIS 27 6.626 -0.269 3.747 234 HA HIS 27 HA HIS 27 9.196 -1.393 3.363 235 1HB HIS 27 1HB HIS 27 6.814 -1.146 1.865 236 2HB HIS 27 2HB HIS 27 8.079 -0.392 0.902 237 HD1 HIS 27 HD1 HIS 27 9.983 -1.923 0.035 238 HD2 HIS 27 HD2 HIS 27 7.017 -3.917 2.156 239 HE1 HIS 27 HE1 HIS 27 10.357 -4.368 -0.423 240 HE2 HIS 27 HE2 HIS 27 8.552 -5.557 0.871 241 H LYS 28 H LYS 28 7.872 1.810 3.123 242 HA LYS 28 HA LYS 28 9.956 2.999 1.623 243 1HB LYS 28 1HB LYS 28 7.652 3.954 2.005 244 2HB LYS 28 2HB LYS 28 8.171 4.372 3.633 245 1HG LYS 28 1HG LYS 28 10.031 5.318 1.622 246 2HG LYS 28 2HG LYS 28 8.400 5.944 1.376 247 1HD LYS 28 1HD LYS 28 9.854 6.041 4.014 248 2HD LYS 28 2HD LYS 28 9.863 7.359 2.840 249 1HE LYS 28 1HE LYS 28 7.594 7.790 3.124 250 2HE LYS 28 2HE LYS 28 7.280 6.200 3.817 251 1HZ LYS 28 1HZ LYS 28 9.106 7.932 5.285 252 2HZ LYS 28 2HZ LYS 28 7.477 8.386 5.281 253 3HZ LYS 28 3HZ LYS 28 7.930 6.862 5.862 254 H GLN 29 H GLN 29 9.606 2.130 4.953 255 HA GLN 29 HA GLN 29 11.710 3.839 5.913 256 1HB GLN 29 1HB GLN 29 9.794 3.045 7.323 257 2HB GLN 29 2HB GLN 29 10.485 1.429 7.266 258 1HG GLN 29 1HG GLN 29 12.441 2.158 8.438 259 2HG GLN 29 2HG GLN 29 11.917 3.840 8.356 260 2HE2 GLN 29 2HE2 GLN 29 10.240 4.539 9.683 261 1HE2 GLN 29 1HE2 GLN 29 9.722 3.635 11.062 262 H SER 30 H SER 30 11.376 0.463 4.948 263 HA SER 30 HA SER 30 14.008 -0.295 5.755 264 1HB SER 30 1HB SER 30 13.459 -2.237 4.056 265 2HB SER 30 2HB SER 30 12.620 -2.138 5.605 266 HG SER 30 HG SER 30 10.858 -2.016 4.489 267 H ILE 31 H ILE 31 12.627 1.030 2.832 268 HA ILE 31 HA ILE 31 14.986 0.525 1.239 269 HB ILE 31 HB ILE 31 12.881 0.499 0.093 270 1HG1 ILE 31 1HG1 ILE 31 13.191 2.430 -1.559 271 2HG1 ILE 31 2HG1 ILE 31 14.570 2.911 -0.574 272 1HG2 ILE 31 1HG2 ILE 31 12.256 2.642 1.818 273 2HG2 ILE 31 2HG2 ILE 31 11.195 1.801 0.690 274 3HG2 ILE 31 3HG2 ILE 31 12.081 3.232 0.167 275 1HD1 ILE 31 1HD1 ILE 31 15.470 0.585 -0.942 276 2HD1 ILE 31 2HD1 ILE 31 14.200 0.392 -2.148 277 3HD1 ILE 31 3HD1 ILE 31 15.425 1.640 -2.352 278 H LYS 32 H LYS 32 13.677 3.094 3.188 279 HA LYS 32 HA LYS 32 15.482 5.100 2.167 280 1HB LYS 32 1HB LYS 32 13.431 5.011 4.355 281 2HB LYS 32 2HB LYS 32 14.586 6.336 4.284 282 1HG LYS 32 1HG LYS 32 13.485 5.983 1.691 283 2HG LYS 32 2HG LYS 32 12.163 6.029 2.859 284 1HD LYS 32 1HD LYS 32 12.466 8.210 3.277 285 2HD LYS 32 2HD LYS 32 14.220 8.038 3.358 286 1HE LYS 32 1HE LYS 32 14.170 7.878 0.824 287 2HE LYS 32 2HE LYS 32 12.496 8.423 0.925 288 1HZ LYS 32 1HZ LYS 32 14.129 10.110 2.482 289 2HZ LYS 32 2HZ LYS 32 14.795 9.983 0.933 290 3HZ LYS 32 3HZ LYS 32 13.196 10.499 1.125 291 H LYS 33 H LYS 33 15.441 2.746 4.708 292 HA LYS 33 HA LYS 33 17.613 3.954 6.181 293 1HB LYS 33 1HB LYS 33 15.649 2.326 6.973 294 2HB LYS 33 2HB LYS 33 16.859 1.106 6.599 295 1HG LYS 33 1HG LYS 33 18.211 1.715 8.320 296 2HG LYS 33 2HG LYS 33 17.706 3.405 8.265 297 1HD LYS 33 1HD LYS 33 16.675 2.752 10.200 298 2HD LYS 33 2HD LYS 33 15.400 2.374 9.040 299 1HE LYS 33 1HE LYS 33 16.231 0.044 8.952 300 2HE LYS 33 2HE LYS 33 17.414 0.448 10.195 301 1HZ LYS 33 1HZ LYS 33 15.514 1.074 11.640 302 2HZ LYS 33 2HZ LYS 33 14.460 0.466 10.466 303 3HZ LYS 33 3HZ LYS 33 15.552 -0.569 11.239 304 H LEU 34 H LEU 34 17.152 1.347 3.866 305 HA LEU 34 HA LEU 34 19.868 0.426 4.037 306 1HB LEU 34 1HB LEU 34 17.482 -0.577 3.010 307 2HB LEU 34 2HB LEU 34 18.473 -0.290 1.593 308 HG LEU 34 HG LEU 34 19.466 -1.872 3.956 309 1HD1 LEU 34 1HD1 LEU 34 17.368 -2.833 2.932 310 2HD1 LEU 34 2HD1 LEU 34 18.292 -3.035 1.444 311 3HD1 LEU 34 3HD1 LEU 34 18.788 -3.879 2.911 312 1HD2 LEU 34 1HD2 LEU 34 20.908 -0.809 2.000 313 2HD2 LEU 34 2HD2 LEU 34 21.271 -2.398 2.674 314 3HD2 LEU 34 3HD2 LEU 34 20.377 -2.266 1.160 315 H LYS 35 H LYS 35 18.099 2.758 2.167 316 HA LYS 35 HA LYS 35 20.146 3.036 0.149 317 1HB LYS 35 1HB LYS 35 17.840 3.443 -0.477 318 2HB LYS 35 2HB LYS 35 17.684 4.679 0.763 319 1HG LYS 35 1HG LYS 35 19.846 5.120 -1.176 320 2HG LYS 35 2HG LYS 35 18.209 5.182 -1.834 321 1HD LYS 35 1HD LYS 35 19.209 6.765 0.533 322 2HD LYS 35 2HD LYS 35 18.993 7.393 -1.102 323 1HE LYS 35 1HE LYS 35 16.563 6.196 -0.484 324 2HE LYS 35 2HE LYS 35 17.046 7.005 1.005 325 1HZ LYS 35 1HZ LYS 35 17.271 8.485 -1.512 326 2HZ LYS 35 2HZ LYS 35 15.728 8.264 -0.855 327 3HZ LYS 35 3HZ LYS 35 16.927 9.051 0.044 328 H GLN 36 H GLN 36 19.201 4.618 3.127 329 HA GLN 36 HA GLN 36 20.964 6.861 2.768 330 1HB GLN 36 1HB GLN 36 18.870 6.953 4.128 331 2HB GLN 36 2HB GLN 36 19.631 5.888 5.302 332 1HG GLN 36 1HG GLN 36 20.942 8.458 4.530 333 2HG GLN 36 2HG GLN 36 19.624 8.442 5.701 334 2HE2 GLN 36 2HE2 GLN 36 22.866 8.422 5.415 335 1HE2 GLN 36 1HE2 GLN 36 23.298 7.652 6.900 336 H SER 37 H SER 37 21.164 3.681 4.148 337 HA SER 37 HA SER 37 23.540 4.187 5.680 338 1HB SER 37 1HB SER 37 21.828 2.373 6.167 339 2HB SER 37 2HB SER 37 22.501 1.492 4.795 340 HG SER 37 HG SER 37 24.120 0.923 6.000 341 H GLU 38 H GLU 38 22.805 3.272 2.423 342 HA GLU 38 HA GLU 38 25.367 2.164 1.801 343 1HB GLU 38 1HB GLU 38 23.015 1.972 0.582 344 2HB GLU 38 2HB GLU 38 23.636 3.347 -0.320 345 1HG GLU 38 1HG GLU 38 25.723 1.891 -0.688 346 2HG GLU 38 2HG GLU 38 24.690 0.552 -0.190 347 H ASP 39 H ASP 39 23.985 5.357 1.826 348 HA ASP 39 HA ASP 39 25.987 6.582 0.196 349 1HB ASP 39 1HB ASP 39 23.767 7.588 0.452 350 2HB ASP 39 2HB ASP 39 24.053 7.809 2.175 351 H ASP 40 H ASP 40 25.721 5.740 3.542 352 HA ASP 40 HA ASP 40 28.454 6.219 4.049 353 1HB ASP 40 1HB ASP 40 26.976 8.548 4.196 354 2HB ASP 40 2HB ASP 40 27.040 8.016 5.874 355 H ASP 41 H ASP 41 29.070 5.681 6.252 356 HA ASP 41 HA ASP 41 27.833 3.434 7.256 357 1HB ASP 41 1HB ASP 41 29.904 5.287 8.179 358 2HB ASP 41 2HB ASP 41 29.034 4.502 9.495 359 H1 ALA 1 H1 ALA 1 36.176 -6.934 -2.795 360 H2 ALA 1 H2 ALA 1 36.351 -8.590 -3.202 361 H3 ALA 1 H3 ALA 1 35.294 -7.590 -4.112 362 HA ALA 1 HA ALA 1 33.998 -8.904 -2.714 363 1HB ALA 1 1HB ALA 1 35.659 -7.862 -0.424 364 2HB ALA 1 2HB ALA 1 34.313 -8.996 -0.323 365 3HB ALA 1 3HB ALA 1 35.806 -9.471 -1.132 366 H LEU 2 H LEU 2 33.650 -6.504 -3.966 367 HA LEU 2 HA LEU 2 32.939 -4.353 -2.296 368 1HB LEU 2 1HB LEU 2 31.815 -5.039 -5.012 369 2HB LEU 2 2HB LEU 2 31.748 -3.472 -4.230 370 HG LEU 2 HG LEU 2 34.460 -4.058 -4.288 371 1HD1 LEU 2 1HD1 LEU 2 33.428 -5.838 -6.041 372 2HD1 LEU 2 2HD1 LEU 2 33.701 -4.453 -7.098 373 3HD1 LEU 2 3HD1 LEU 2 35.039 -5.134 -6.173 374 1HD2 LEU 2 1HD2 LEU 2 32.708 -2.382 -6.072 375 2HD2 LEU 2 2HD2 LEU 2 33.618 -1.869 -4.650 376 3HD2 LEU 2 3HD2 LEU 2 34.470 -2.335 -6.122 377 H LYS 3 H LYS 3 30.457 -3.539 -2.705 378 HA LYS 3 HA LYS 3 28.754 -5.708 -1.665 379 1HB LYS 3 1HB LYS 3 29.042 -2.855 -0.789 380 2HB LYS 3 2HB LYS 3 27.522 -3.701 -0.536 381 1HG LYS 3 1HG LYS 3 28.590 -4.073 1.457 382 2HG LYS 3 2HG LYS 3 29.034 -5.522 0.552 383 1HD LYS 3 1HD LYS 3 31.207 -4.778 0.187 384 2HD LYS 3 2HD LYS 3 30.783 -3.091 0.485 385 1HE LYS 3 1HE LYS 3 31.412 -3.313 2.602 386 2HE LYS 3 2HE LYS 3 30.183 -4.555 2.833 387 1HZ LYS 3 1HZ LYS 3 32.933 -5.043 1.823 388 2HZ LYS 3 2HZ LYS 3 32.409 -5.339 3.404 389 3HZ LYS 3 3HZ LYS 3 31.756 -6.222 2.117 390 H LYS 4 H LYS 4 28.341 -5.932 -4.047 391 HA LYS 4 HA LYS 4 26.700 -3.876 -5.257 392 1HB LYS 4 1HB LYS 4 28.288 -6.031 -6.196 393 2HB LYS 4 2HB LYS 4 26.639 -6.332 -6.728 394 1HG LYS 4 1HG LYS 4 27.494 -5.105 -8.474 395 2HG LYS 4 2HG LYS 4 26.708 -3.858 -7.504 396 1HD LYS 4 1HD LYS 4 28.751 -3.080 -6.650 397 2HD LYS 4 2HD LYS 4 29.610 -4.540 -7.144 398 1HE LYS 4 1HE LYS 4 28.606 -3.571 -9.516 399 2HE LYS 4 2HE LYS 4 29.037 -2.103 -8.640 400 1HZ LYS 4 1HZ LYS 4 31.143 -3.838 -8.270 401 2HZ LYS 4 2HZ LYS 4 30.732 -3.997 -9.902 402 3HZ LYS 4 3HZ LYS 4 31.114 -2.475 -9.271 403 H HIS 5 H HIS 5 26.292 -7.109 -3.905 404 HA HIS 5 HA HIS 5 23.701 -7.674 -4.648 405 1HB HIS 5 1HB HIS 5 23.560 -9.035 -2.586 406 2HB HIS 5 2HB HIS 5 25.080 -9.276 -3.443 407 HD1 HIS 5 HD1 HIS 5 27.201 -8.810 -2.176 408 HD2 HIS 5 HD2 HIS 5 23.815 -7.445 -0.190 409 HE1 HIS 5 HE1 HIS 5 27.996 -8.106 0.104 410 HE2 HIS 5 HE2 HIS 5 25.930 -7.283 1.289 411 H HIS 6 H HIS 6 24.849 -5.438 -2.216 412 HA HIS 6 HA HIS 6 22.417 -5.027 -0.854 413 1HB HIS 6 1HB HIS 6 25.054 -3.947 -0.794 414 2HB HIS 6 2HB HIS 6 23.920 -2.602 -0.885 415 HD1 HIS 6 HD1 HIS 6 23.287 -5.826 0.983 416 HD2 HIS 6 HD2 HIS 6 24.046 -1.811 1.742 417 HE1 HIS 6 HE1 HIS 6 22.944 -5.532 3.457 418 HE2 HIS 6 HE2 HIS 6 23.408 -3.095 3.894 419 H GLU 7 H GLU 7 23.959 -3.063 -3.405 420 HA GLU 7 HA GLU 7 21.963 -1.192 -3.756 421 1HB GLU 7 1HB GLU 7 24.319 -1.524 -4.909 422 2HB GLU 7 2HB GLU 7 23.349 -2.267 -6.174 423 1HG GLU 7 1HG GLU 7 22.117 -0.257 -6.513 424 2HG GLU 7 2HG GLU 7 22.847 0.492 -5.094 425 H ASN 8 H ASN 8 21.984 -4.532 -4.641 426 HA ASN 8 HA ASN 8 19.915 -4.400 -6.601 427 1HB ASN 8 1HB ASN 8 21.410 -6.519 -5.189 428 2HB ASN 8 2HB ASN 8 19.776 -6.959 -5.677 429 2HD2 ASN 8 2HD2 ASN 8 20.455 -8.414 -7.214 430 1HD2 ASN 8 1HD2 ASN 8 21.204 -7.932 -8.695 431 H GLU 9 H GLU 9 19.916 -5.629 -3.249 432 HA GLU 9 HA GLU 9 17.159 -5.948 -3.005 433 1HB GLU 9 1HB GLU 9 19.418 -5.603 -1.101 434 2HB GLU 9 2HB GLU 9 17.795 -5.369 -0.470 435 1HG GLU 9 1HG GLU 9 18.642 -7.661 -0.166 436 2HG GLU 9 2HG GLU 9 17.159 -7.587 -1.116 437 H ILE 10 H ILE 10 19.076 -3.090 -3.077 438 HA ILE 10 HA ILE 10 17.282 -1.381 -1.692 439 HB ILE 10 HB ILE 10 19.879 -1.183 -2.729 440 1HG1 ILE 10 1HG1 ILE 10 19.051 1.352 -1.745 441 2HG1 ILE 10 2HG1 ILE 10 18.191 0.107 -0.843 442 1HG2 ILE 10 1HG2 ILE 10 18.149 0.922 -4.018 443 2HG2 ILE 10 2HG2 ILE 10 19.910 0.970 -3.918 444 3HG2 ILE 10 3HG2 ILE 10 19.113 -0.304 -4.843 445 1HD1 ILE 10 1HD1 ILE 10 20.869 -0.735 -1.055 446 2HD1 ILE 10 2HD1 ILE 10 20.890 0.966 -0.589 447 3HD1 ILE 10 3HD1 ILE 10 19.999 -0.203 0.384 448 H SER 11 H SER 11 17.956 -1.837 -5.168 449 HA SER 11 HA SER 11 15.942 -0.113 -6.092 450 1HB SER 11 1HB SER 11 17.947 -1.415 -7.308 451 2HB SER 11 2HB SER 11 16.622 -2.494 -7.739 452 HG SER 11 HG SER 11 17.017 -0.733 -9.239 453 H HIS 12 H HIS 12 15.811 -3.343 -4.868 454 HA HIS 12 HA HIS 12 13.287 -4.000 -6.044 455 1HB HIS 12 1HB HIS 12 14.113 -6.020 -5.518 456 2HB HIS 12 2HB HIS 12 15.304 -5.322 -4.438 457 HD1 HIS 12 HD1 HIS 12 11.738 -6.596 -4.409 458 HD2 HIS 12 HD2 HIS 12 14.843 -5.754 -1.782 459 HE1 HIS 12 HE1 HIS 12 10.983 -7.472 -2.176 460 HE2 HIS 12 HE2 HIS 12 12.879 -6.953 -0.599 461 H HIS 13 H HIS 13 14.328 -2.914 -2.810 462 HA HIS 13 HA HIS 13 11.762 -2.926 -1.651 463 1HB HIS 13 1HB HIS 13 14.090 -1.120 -0.971 464 2HB HIS 13 2HB HIS 13 12.692 -1.433 0.048 465 HD1 HIS 13 HD1 HIS 13 12.769 -4.602 -0.544 466 HD2 HIS 13 HD2 HIS 13 15.865 -2.203 0.829 467 HE1 HIS 13 HE1 HIS 13 14.338 -6.159 0.658 468 HE2 HIS 13 HE2 HIS 13 16.211 -4.686 1.481 469 H ALA 14 H ALA 14 13.367 -0.697 -3.778 470 HA ALA 14 HA ALA 14 11.709 1.558 -3.288 471 1HB ALA 14 1HB ALA 14 13.601 0.769 -5.466 472 2HB ALA 14 2HB ALA 14 13.686 2.126 -4.344 473 3HB ALA 14 3HB ALA 14 12.542 2.162 -5.685 474 H LYS 15 H LYS 15 11.745 -0.823 -5.949 475 HA LYS 15 HA LYS 15 9.348 0.069 -7.133 476 1HB LYS 15 1HB LYS 15 11.264 -1.961 -7.610 477 2HB LYS 15 2HB LYS 15 9.697 -2.754 -7.529 478 1HG LYS 15 1HG LYS 15 8.931 -1.748 -9.416 479 2HG LYS 15 2HG LYS 15 9.897 -0.292 -9.165 480 1HD LYS 15 1HD LYS 15 11.922 -1.796 -9.657 481 2HD LYS 15 2HD LYS 15 10.742 -2.939 -10.301 482 1HE LYS 15 1HE LYS 15 9.893 -0.884 -11.652 483 2HE LYS 15 2HE LYS 15 11.485 -0.216 -11.292 484 1HZ LYS 15 1HZ LYS 15 11.490 -2.931 -12.299 485 2HZ LYS 15 2HZ LYS 15 10.950 -1.767 -13.402 486 3HZ LYS 15 3HZ LYS 15 12.484 -1.623 -12.703 487 H GLU 16 H GLU 16 9.963 -1.737 -4.286 488 HA GLU 16 HA GLU 16 7.430 -3.085 -4.196 489 1HB GLU 16 1HB GLU 16 9.713 -2.745 -2.276 490 2HB GLU 16 2HB GLU 16 8.185 -3.427 -1.736 491 1HG GLU 16 1HG GLU 16 9.682 -4.529 -4.089 492 2HG GLU 16 2HG GLU 16 10.004 -5.050 -2.436 493 H ILE 17 H ILE 17 8.819 -0.125 -2.817 494 HA ILE 17 HA ILE 17 6.546 0.395 -1.153 495 HB ILE 17 HB ILE 17 7.587 2.374 -0.506 496 1HG1 ILE 17 1HG1 ILE 17 9.695 3.077 -2.073 497 2HG1 ILE 17 2HG1 ILE 17 8.595 2.441 -3.292 498 1HG2 ILE 17 1HG2 ILE 17 9.115 0.044 -0.717 499 2HG2 ILE 17 2HG2 ILE 17 10.197 1.377 -1.119 500 3HG2 ILE 17 3HG2 ILE 17 9.326 1.381 0.409 501 1HD1 ILE 17 1HD1 ILE 17 6.852 3.985 -2.421 502 2HD1 ILE 17 2HD1 ILE 17 8.079 4.691 -1.368 503 3HD1 ILE 17 3HD1 ILE 17 8.257 4.790 -3.121 504 H GLU 18 H GLU 18 7.497 1.288 -4.409 505 HA GLU 18 HA GLU 18 5.393 3.208 -4.753 506 1HB GLU 18 1HB GLU 18 7.723 2.771 -6.053 507 2HB GLU 18 2HB GLU 18 6.610 1.950 -7.140 508 1HG GLU 18 1HG GLU 18 5.669 3.867 -7.845 509 2HG GLU 18 2HG GLU 18 5.781 4.632 -6.259 510 H ARG 19 H ARG 19 5.870 -0.200 -5.462 511 HA ARG 19 HA ARG 19 3.495 -0.490 -7.021 512 1HB ARG 19 1HB ARG 19 5.470 -2.026 -7.138 513 2HB ARG 19 2HB ARG 19 5.032 -2.636 -5.548 514 1HG ARG 19 1HG ARG 19 3.034 -3.594 -6.354 515 2HG ARG 19 2HG ARG 19 3.148 -2.720 -7.883 516 1HD ARG 19 1HD ARG 19 5.199 -4.732 -6.990 517 2HD ARG 19 2HD ARG 19 3.781 -5.170 -7.942 518 HE ARG 19 HE ARG 19 5.241 -3.037 -9.141 519 1HH1 ARG 19 1HH1 ARG 19 5.201 -6.490 -8.692 520 2HH1 ARG 19 2HH1 ARG 19 6.087 -6.819 -10.143 521 1HH2 ARG 19 1HH2 ARG 19 6.408 -3.459 -11.055 522 2HH2 ARG 19 2HH2 ARG 19 6.774 -5.096 -11.486 523 H LEU 20 H LEU 20 4.286 -0.734 -3.620 524 HA LEU 20 HA LEU 20 1.865 -2.005 -2.827 525 1HB LEU 20 1HB LEU 20 3.918 -0.402 -1.308 526 2HB LEU 20 2HB LEU 20 2.523 -1.133 -0.542 527 HG LEU 20 HG LEU 20 4.362 -2.852 -2.154 528 1HD1 LEU 20 1HD1 LEU 20 5.390 -1.268 -0.175 529 2HD1 LEU 20 2HD1 LEU 20 4.973 -2.743 0.698 530 3HD1 LEU 20 3HD1 LEU 20 6.052 -2.819 -0.694 531 1HD2 LEU 20 1HD2 LEU 20 2.170 -3.177 -0.277 532 2HD2 LEU 20 2HD2 LEU 20 2.849 -4.321 -1.434 533 3HD2 LEU 20 3HD2 LEU 20 3.582 -4.138 0.159 534 H GLN 21 H GLN 21 2.956 1.345 -3.054 535 HA GLN 21 HA GLN 21 0.718 2.548 -1.847 536 1HB GLN 21 1HB GLN 21 3.090 3.466 -2.783 537 2HB GLN 21 2HB GLN 21 2.016 4.016 -4.061 538 1HG GLN 21 1HG GLN 21 1.283 4.545 -1.225 539 2HG GLN 21 2HG GLN 21 2.530 5.526 -1.993 540 2HE2 GLN 21 2HE2 GLN 21 -0.825 4.522 -2.166 541 1HE2 GLN 21 1HE2 GLN 21 -1.379 5.870 -3.093 542 H LYS 22 H LYS 22 1.409 1.682 -5.209 543 HA LYS 22 HA LYS 22 -0.902 2.832 -6.339 544 1HB LYS 22 1HB LYS 22 0.924 0.606 -7.221 545 2HB LYS 22 2HB LYS 22 -0.472 1.086 -8.175 546 1HG LYS 22 1HG LYS 22 0.412 3.310 -8.438 547 2HG LYS 22 2HG LYS 22 1.761 2.934 -7.364 548 1HD LYS 22 1HD LYS 22 1.476 1.064 -9.593 549 2HD LYS 22 2HD LYS 22 1.797 2.725 -10.097 550 1HE LYS 22 1HE LYS 22 3.575 2.454 -8.074 551 2HE LYS 22 2HE LYS 22 3.521 0.802 -8.687 552 1HZ LYS 22 1HZ LYS 22 4.058 3.215 -10.334 553 2HZ LYS 22 2HZ LYS 22 5.236 2.141 -9.771 554 3HZ LYS 22 3HZ LYS 22 4.071 1.612 -10.878 555 H GLU 23 H GLU 23 -0.276 -0.297 -4.869 556 HA GLU 23 HA GLU 23 -2.690 -1.546 -5.645 557 1HB GLU 23 1HB GLU 23 -0.393 -2.255 -4.190 558 2HB GLU 23 2HB GLU 23 -1.741 -2.489 -3.087 559 1HG GLU 23 1HG GLU 23 -2.815 -3.986 -4.608 560 2HG GLU 23 2HG GLU 23 -1.631 -3.633 -5.866 561 H ILE 24 H ILE 24 -1.789 0.398 -2.835 562 HA ILE 24 HA ILE 24 -4.150 -0.036 -1.360 563 HB ILE 24 HB ILE 24 -3.413 1.503 0.153 564 1HG1 ILE 24 1HG1 ILE 24 -1.887 3.503 -0.629 565 2HG1 ILE 24 2HG1 ILE 24 -2.625 3.187 -2.196 566 1HG2 ILE 24 1HG2 ILE 24 -1.502 -0.055 -0.704 567 2HG2 ILE 24 2HG2 ILE 24 -0.776 1.464 -1.222 568 3HG2 ILE 24 3HG2 ILE 24 -1.170 1.212 0.477 569 1HD1 ILE 24 1HD1 ILE 24 -4.687 3.234 -0.255 570 2HD1 ILE 24 2HD1 ILE 24 -3.665 4.653 -0.013 571 3HD1 ILE 24 3HD1 ILE 24 -4.398 4.353 -1.590 572 H GLU 25 H GLU 25 -3.299 2.320 -3.835 573 HA GLU 25 HA GLU 25 -5.590 3.936 -3.660 574 1HB GLU 25 1HB GLU 25 -3.348 4.179 -5.042 575 2HB GLU 25 2HB GLU 25 -4.302 3.416 -6.307 576 1HG GLU 25 1HG GLU 25 -5.862 5.189 -6.332 577 2HG GLU 25 2HG GLU 25 -5.215 5.871 -4.840 578 H ARG 26 H ARG 26 -4.914 0.993 -5.500 579 HA ARG 26 HA ARG 26 -7.224 0.897 -7.051 580 1HB ARG 26 1HB ARG 26 -5.087 -0.677 -6.897 581 2HB ARG 26 2HB ARG 26 -6.161 -1.638 -5.889 582 1HG ARG 26 1HG ARG 26 -7.823 -1.518 -7.803 583 2HG ARG 26 2HG ARG 26 -6.490 -0.896 -8.778 584 1HD ARG 26 1HD ARG 26 -5.608 -2.928 -9.021 585 2HD ARG 26 2HD ARG 26 -5.717 -3.255 -7.292 586 HE ARG 26 HE ARG 26 -8.279 -3.494 -8.342 587 1HH1 ARG 26 1HH1 ARG 26 -5.182 -5.056 -8.650 588 2HH1 ARG 26 2HH1 ARG 26 -5.856 -6.604 -9.035 589 1HH2 ARG 26 1HH2 ARG 26 -9.177 -5.528 -8.849 590 2HH2 ARG 26 2HH2 ARG 26 -8.129 -6.873 -9.149 591 H HIS 27 H HIS 27 -6.623 -0.257 -3.754 592 HA HIS 27 HA HIS 27 -9.192 -1.382 -3.368 593 1HB HIS 27 1HB HIS 27 -6.804 -1.152 -1.884 594 2HB HIS 27 2HB HIS 27 -8.057 -0.390 -0.910 595 HD1 HIS 27 HD1 HIS 27 -9.970 -1.914 -0.038 596 HD2 HIS 27 HD2 HIS 27 -7.020 -3.916 -2.172 597 HE1 HIS 27 HE1 HIS 27 -10.353 -4.358 0.416 598 HE2 HIS 27 HE2 HIS 27 -8.557 -5.551 -0.885 599 H LYS 28 H LYS 28 -7.872 1.821 -3.133 600 HA LYS 28 HA LYS 28 -9.957 3.000 -1.620 601 1HB LYS 28 1HB LYS 28 -7.656 3.963 -1.987 602 2HB LYS 28 2HB LYS 28 -8.163 4.379 -3.619 603 1HG LYS 28 1HG LYS 28 -10.036 5.324 -1.618 604 2HG LYS 28 2HG LYS 28 -8.407 5.955 -1.369 605 1HD LYS 28 1HD LYS 28 -9.854 6.043 -4.012 606 2HD LYS 28 2HD LYS 28 -9.867 7.363 -2.841 607 1HE LYS 28 1HE LYS 28 -7.595 7.794 -3.118 608 2HE LYS 28 2HE LYS 28 -7.283 6.204 -3.814 609 1HZ LYS 28 1HZ LYS 28 -9.106 7.938 -5.280 610 2HZ LYS 28 2HZ LYS 28 -7.477 8.392 -5.275 611 3HZ LYS 28 3HZ LYS 28 -7.930 6.870 -5.858 612 H GLN 29 H GLN 29 -9.603 2.142 -4.951 613 HA GLN 29 HA GLN 29 -11.705 3.854 -5.910 614 1HB GLN 29 1HB GLN 29 -9.790 3.070 -7.322 615 2HB GLN 29 2HB GLN 29 -10.473 1.451 -7.265 616 1HG GLN 29 1HG GLN 29 -12.436 2.172 -8.435 617 2HG GLN 29 2HG GLN 29 -11.914 3.854 -8.357 618 2HE2 GLN 29 2HE2 GLN 29 -10.235 4.553 -9.684 619 1HE2 GLN 29 1HE2 GLN 29 -9.719 3.649 -11.062 620 H SER 30 H SER 30 -11.370 0.476 -4.958 621 HA SER 30 HA SER 30 -14.000 -0.283 -5.770 622 1HB SER 30 1HB SER 30 -13.453 -2.228 -4.070 623 2HB SER 30 2HB SER 30 -12.613 -2.127 -5.618 624 HG SER 30 HG SER 30 -10.853 -2.010 -4.497 625 H ILE 31 H ILE 31 -12.623 1.028 -2.837 626 HA ILE 31 HA ILE 31 -14.985 0.525 -1.251 627 HB ILE 31 HB ILE 31 -12.878 0.504 -0.105 628 1HG1 ILE 31 1HG1 ILE 31 -13.203 2.421 1.556 629 2HG1 ILE 31 2HG1 ILE 31 -14.577 2.909 0.567 630 1HG2 ILE 31 1HG2 ILE 31 -12.262 2.647 -1.827 631 2HG2 ILE 31 2HG2 ILE 31 -12.101 3.246 -0.177 632 3HG2 ILE 31 3HG2 ILE 31 -11.201 1.822 -0.691 633 1HD1 ILE 31 1HD1 ILE 31 -15.274 0.400 0.913 634 2HD1 ILE 31 2HD1 ILE 31 -14.234 0.554 2.327 635 3HD1 ILE 31 3HD1 ILE 31 -15.617 1.628 2.130 636 H LYS 32 H LYS 32 -13.675 3.101 -3.192 637 HA LYS 32 HA LYS 32 -15.482 5.103 -2.171 638 1HB LYS 32 1HB LYS 32 -13.432 5.018 -4.359 639 2HB LYS 32 2HB LYS 32 -14.588 6.342 -4.287 640 1HG LYS 32 1HG LYS 32 -13.487 5.987 -1.694 641 2HG LYS 32 2HG LYS 32 -12.165 6.035 -2.862 642 1HD LYS 32 1HD LYS 32 -12.469 8.216 -3.279 643 2HD LYS 32 2HD LYS 32 -14.224 8.043 -3.359 644 1HE LYS 32 1HE LYS 32 -14.172 7.882 -0.824 645 2HE LYS 32 2HE LYS 32 -12.498 8.426 -0.927 646 1HZ LYS 32 1HZ LYS 32 -14.130 10.115 -2.481 647 2HZ LYS 32 2HZ LYS 32 -14.796 9.987 -0.931 648 3HZ LYS 32 3HZ LYS 32 -13.197 10.502 -1.124 649 H LYS 33 H LYS 33 -15.442 2.752 -4.714 650 HA LYS 33 HA LYS 33 -17.614 3.961 -6.185 651 1HB LYS 33 1HB LYS 33 -15.651 2.331 -6.979 652 2HB LYS 33 2HB LYS 33 -16.863 1.113 -6.607 653 1HG LYS 33 1HG LYS 33 -18.212 1.727 -8.329 654 2HG LYS 33 2HG LYS 33 -17.705 3.415 -8.271 655 1HD LYS 33 1HD LYS 33 -16.673 2.766 -10.205 656 2HD LYS 33 2HD LYS 33 -15.399 2.386 -9.044 657 1HE LYS 33 1HE LYS 33 -16.229 0.057 -8.960 658 2HE LYS 33 2HE LYS 33 -17.412 0.461 -10.203 659 1HZ LYS 33 1HZ LYS 33 -15.511 1.090 -11.646 660 2HZ LYS 33 2HZ LYS 33 -14.457 0.480 -10.473 661 3HZ LYS 33 3HZ LYS 33 -15.548 -0.554 -11.247 662 H LEU 34 H LEU 34 -17.156 1.355 -3.871 663 HA LEU 34 HA LEU 34 -19.872 0.433 -4.044 664 1HB LEU 34 1HB LEU 34 -17.485 -0.571 -3.017 665 2HB LEU 34 2HB LEU 34 -18.478 -0.285 -1.601 666 HG LEU 34 HG LEU 34 -19.473 -1.862 -3.964 667 1HD1 LEU 34 1HD1 LEU 34 -17.371 -2.824 -2.950 668 2HD1 LEU 34 2HD1 LEU 34 -18.290 -3.033 -1.460 669 3HD1 LEU 34 3HD1 LEU 34 -18.789 -3.872 -2.929 670 1HD2 LEU 34 1HD2 LEU 34 -20.908 -0.808 -1.996 671 2HD2 LEU 34 2HD2 LEU 34 -21.275 -2.392 -2.679 672 3HD2 LEU 34 3HD2 LEU 34 -20.374 -2.271 -1.168 673 H LYS 35 H LYS 35 -18.105 2.766 -2.176 674 HA LYS 35 HA LYS 35 -20.150 3.042 -0.156 675 1HB LYS 35 1HB LYS 35 -17.843 3.448 0.469 676 2HB LYS 35 2HB LYS 35 -17.688 4.685 -0.769 677 1HG LYS 35 1HG LYS 35 -19.849 5.125 1.171 678 2HG LYS 35 2HG LYS 35 -18.214 5.185 1.828 679 1HD LYS 35 1HD LYS 35 -19.211 6.772 -0.537 680 2HD LYS 35 2HD LYS 35 -18.996 7.397 1.100 681 1HE LYS 35 1HE LYS 35 -16.565 6.200 0.481 682 2HE LYS 35 2HE LYS 35 -17.048 7.012 -1.009 683 1HZ LYS 35 1HZ LYS 35 -17.273 8.488 1.511 684 2HZ LYS 35 2HZ LYS 35 -15.731 8.267 0.854 685 3HZ LYS 35 3HZ LYS 35 -16.928 9.057 -0.044 686 H GLN 36 H GLN 36 -19.204 4.625 -3.133 687 HA GLN 36 HA GLN 36 -20.966 6.869 -2.774 688 1HB GLN 36 1HB GLN 36 -18.872 6.961 -4.132 689 2HB GLN 36 2HB GLN 36 -19.633 5.898 -5.307 690 1HG GLN 36 1HG GLN 36 -20.942 8.467 -4.535 691 2HG GLN 36 2HG GLN 36 -19.623 8.452 -5.705 692 2HE2 GLN 36 2HE2 GLN 36 -22.866 8.431 -5.419 693 1HE2 GLN 36 1HE2 GLN 36 -23.298 7.663 -6.905 694 H SER 37 H SER 37 -21.166 3.690 -4.156 695 HA SER 37 HA SER 37 -23.540 4.197 -5.689 696 1HB SER 37 1HB SER 37 -21.828 2.383 -6.175 697 2HB SER 37 2HB SER 37 -22.501 1.500 -4.806 698 HG SER 37 HG SER 37 -24.120 0.932 -6.011 699 H GLU 38 H GLU 38 -22.808 3.279 -2.433 700 HA GLU 38 HA GLU 38 -25.369 2.171 -1.812 701 1HB GLU 38 1HB GLU 38 -23.017 1.977 -0.592 702 2HB GLU 38 2HB GLU 38 -23.639 3.351 0.310 703 1HG GLU 38 1HG GLU 38 -25.725 1.895 0.677 704 2HG GLU 38 2HG GLU 38 -24.693 0.556 0.178 705 H ASP 39 H ASP 39 -23.986 5.364 -1.833 706 HA ASP 39 HA ASP 39 -25.989 6.587 -0.203 707 1HB ASP 39 1HB ASP 39 -23.770 7.593 -0.456 708 2HB ASP 39 2HB ASP 39 -24.055 7.814 -2.180 709 H ASP 40 H ASP 40 -25.721 5.748 -3.549 710 HA ASP 40 HA ASP 40 -28.454 6.228 -4.058 711 1HB ASP 40 1HB ASP 40 -26.976 8.557 -4.202 712 2HB ASP 40 2HB ASP 40 -27.040 8.026 -5.880 713 H ASP 41 H ASP 41 -29.070 5.691 -6.261 714 HA ASP 41 HA ASP 41 -27.832 3.445 -7.266 715 1HB ASP 41 1HB ASP 41 -29.903 5.298 -8.189 716 2HB ASP 41 2HB ASP 41 -29.032 4.516 -9.505 No H/Q in entry = 716 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 -34.165 2.452 8.622 2 H2 ALA 1 H2 ALA 1 -33.048 2.220 9.904 3 H3 ALA 1 H3 ALA 1 -33.172 3.750 9.137 4 HA ALA 1 HA ALA 1 -32.039 3.133 7.346 5 1HB ALA 1 1HB ALA 1 -30.083 2.553 8.241 6 2HB ALA 1 2HB ALA 1 -30.950 2.379 9.768 7 3HB ALA 1 3HB ALA 1 -30.688 0.972 8.736 8 H LEU 2 H LEU 2 -30.929 1.097 6.211 9 HA LEU 2 HA LEU 2 -32.237 -1.370 6.168 10 1HB LEU 2 1HB LEU 2 -33.585 -1.189 4.141 11 2HB LEU 2 2HB LEU 2 -34.176 -0.119 5.398 12 HG LEU 2 HG LEU 2 -32.281 1.166 3.573 13 1HD1 LEU 2 1HD1 LEU 2 -34.552 -0.361 2.512 14 2HD1 LEU 2 2HD1 LEU 2 -34.474 1.321 1.989 15 3HD1 LEU 2 3HD1 LEU 2 -33.108 0.244 1.701 16 1HD2 LEU 2 1HD2 LEU 2 -33.740 2.236 5.334 17 2HD2 LEU 2 2HD2 LEU 2 -33.806 2.967 3.729 18 3HD2 LEU 2 3HD2 LEU 2 -35.110 1.912 4.271 19 H LYS 3 H LYS 3 -31.297 -2.803 4.721 20 HA LYS 3 HA LYS 3 -29.757 -3.624 3.258 21 1HB LYS 3 1HB LYS 3 -30.751 -1.472 1.950 22 2HB LYS 3 2HB LYS 3 -29.061 -1.005 2.076 23 1HG LYS 3 1HG LYS 3 -28.338 -2.811 0.801 24 2HG LYS 3 2HG LYS 3 -29.841 -3.703 1.042 25 1HD LYS 3 1HD LYS 3 -30.490 -1.233 -0.188 26 2HD LYS 3 2HD LYS 3 -29.136 -1.935 -1.076 27 1HE LYS 3 1HE LYS 3 -30.349 -3.968 -1.443 28 2HE LYS 3 2HE LYS 3 -31.649 -3.442 -0.375 29 1HZ LYS 3 1HZ LYS 3 -32.012 -1.571 -1.969 30 2HZ LYS 3 2HZ LYS 3 -30.937 -2.332 -3.030 31 3HZ LYS 3 3HZ LYS 3 -32.374 -3.104 -2.585 32 H LYS 4 H LYS 4 -28.160 -4.208 4.649 33 HA LYS 4 HA LYS 4 -26.099 -2.189 5.243 34 1HB LYS 4 1HB LYS 4 -26.801 -4.696 6.780 35 2HB LYS 4 2HB LYS 4 -25.498 -3.588 7.189 36 1HG LYS 4 1HG LYS 4 -27.741 -1.968 7.003 37 2HG LYS 4 2HG LYS 4 -28.317 -3.434 7.799 38 1HD LYS 4 1HD LYS 4 -26.750 -3.217 9.552 39 2HD LYS 4 2HD LYS 4 -25.816 -2.008 8.668 40 1HE LYS 4 1HE LYS 4 -27.866 -0.531 8.787 41 2HE LYS 4 2HE LYS 4 -28.533 -1.699 9.926 42 1HZ LYS 4 1HZ LYS 4 -25.895 -0.426 10.347 43 2HZ LYS 4 2HZ LYS 4 -27.328 0.282 10.897 44 3HZ LYS 4 3HZ LYS 4 -26.859 -1.236 11.477 45 H HIS 5 H HIS 5 -26.419 -3.977 2.859 46 HA HIS 5 HA HIS 5 -24.313 -5.924 3.062 47 1HB HIS 5 1HB HIS 5 -25.438 -4.922 0.463 48 2HB HIS 5 2HB HIS 5 -24.847 -6.531 0.865 49 HD1 HIS 5 HD1 HIS 5 -26.650 -6.638 3.555 50 HD2 HIS 5 HD2 HIS 5 -27.933 -5.908 -0.329 51 HE1 HIS 5 HE1 HIS 5 -29.085 -7.262 3.524 52 HE2 HIS 5 HE2 HIS 5 -29.843 -6.812 1.163 53 H HIS 6 H HIS 6 -24.689 -2.682 1.726 54 HA HIS 6 HA HIS 6 -22.229 -2.530 0.383 55 1HB HIS 6 1HB HIS 6 -23.948 -0.380 1.632 56 2HB HIS 6 2HB HIS 6 -22.517 -0.033 0.667 57 HD1 HIS 6 HD1 HIS 6 -24.133 -2.876 -0.796 58 HD2 HIS 6 HD2 HIS 6 -24.737 1.235 -0.901 59 HE1 HIS 6 HE1 HIS 6 -25.552 -2.456 -2.829 60 HE2 HIS 6 HE2 HIS 6 -25.905 0.038 -2.875 61 H GLU 7 H GLU 7 -23.106 -1.333 3.626 62 HA GLU 7 HA GLU 7 -20.618 -0.444 4.424 63 1HB GLU 7 1HB GLU 7 -23.119 -0.906 5.643 64 2HB GLU 7 2HB GLU 7 -21.930 -1.745 6.630 65 1HG GLU 7 1HG GLU 7 -20.948 0.167 7.325 66 2HG GLU 7 2HG GLU 7 -21.257 1.008 5.808 67 H ASN 8 H ASN 8 -21.747 -3.684 3.990 68 HA ASN 8 HA ASN 8 -19.852 -5.001 5.649 69 1HB ASN 8 1HB ASN 8 -22.071 -5.787 4.224 70 2HB ASN 8 2HB ASN 8 -20.755 -6.500 3.294 71 2HD2 ASN 8 2HD2 ASN 8 -20.791 -8.578 3.813 72 1HD2 ASN 8 1HD2 ASN 8 -20.737 -9.212 5.420 73 H GLU 9 H GLU 9 -20.015 -4.762 2.083 74 HA GLU 9 HA GLU 9 -17.318 -5.634 1.745 75 1HB GLU 9 1HB GLU 9 -19.084 -4.139 -0.203 76 2HB GLU 9 2HB GLU 9 -17.622 -5.029 -0.602 77 1HG GLU 9 1HG GLU 9 -18.691 -6.981 -0.659 78 2HG GLU 9 2HG GLU 9 -19.585 -6.638 0.820 79 H ILE 10 H ILE 10 -18.600 -2.730 2.810 80 HA ILE 10 HA ILE 10 -16.524 -1.030 1.720 81 HB ILE 10 HB ILE 10 -18.938 -0.527 3.460 82 1HG1 ILE 10 1HG1 ILE 10 -18.252 0.636 0.766 83 2HG1 ILE 10 2HG1 ILE 10 -19.129 -0.879 0.951 84 1HG2 ILE 10 1HG2 ILE 10 -17.067 0.937 4.181 85 2HG2 ILE 10 2HG2 ILE 10 -16.998 1.583 2.541 86 3HG2 ILE 10 3HG2 ILE 10 -18.449 1.809 3.519 87 1HD1 ILE 10 1HD1 ILE 10 -20.823 0.384 2.298 88 2HD1 ILE 10 2HD1 ILE 10 -19.995 1.863 1.810 89 3HD1 ILE 10 3HD1 ILE 10 -20.729 0.821 0.592 90 H SER 11 H SER 11 -17.345 -2.764 4.614 91 HA SER 11 HA SER 11 -15.436 -1.381 6.276 92 1HB SER 11 1HB SER 11 -16.180 -2.739 8.030 93 2HB SER 11 2HB SER 11 -17.616 -2.619 7.014 94 HG SER 11 HG SER 11 -17.081 -4.785 7.704 95 H HIS 12 H HIS 12 -15.569 -4.211 4.253 96 HA HIS 12 HA HIS 12 -13.092 -5.302 5.215 97 1HB HIS 12 1HB HIS 12 -14.184 -7.083 4.364 98 2HB HIS 12 2HB HIS 12 -15.219 -6.081 3.362 99 HD1 HIS 12 HD1 HIS 12 -11.962 -7.956 3.288 100 HD2 HIS 12 HD2 HIS 12 -14.479 -5.891 0.712 101 HE1 HIS 12 HE1 HIS 12 -11.120 -8.473 0.974 102 HE2 HIS 12 HE2 HIS 12 -12.661 -7.216 -0.573 103 H HIS 13 H HIS 13 -14.135 -3.581 2.246 104 HA HIS 13 HA HIS 13 -11.522 -3.454 1.143 105 1HB HIS 13 1HB HIS 13 -13.884 -1.629 0.649 106 2HB HIS 13 2HB HIS 13 -12.419 -1.692 -0.322 107 HD1 HIS 13 HD1 HIS 13 -12.305 -4.888 -0.363 108 HD2 HIS 13 HD2 HIS 13 -15.527 -2.475 -1.371 109 HE1 HIS 13 HE1 HIS 13 -13.720 -6.277 -1.913 110 HE2 HIS 13 HE2 HIS 13 -15.672 -4.796 -2.512 111 H ALA 14 H ALA 14 -13.208 -1.615 3.550 112 HA ALA 14 HA ALA 14 -11.627 0.737 3.439 113 1HB ALA 14 1HB ALA 14 -12.466 0.792 5.964 114 2HB ALA 14 2HB ALA 14 -13.534 1.161 4.610 115 3HB ALA 14 3HB ALA 14 -13.568 -0.440 5.350 116 H LYS 15 H LYS 15 -11.497 -2.180 5.456 117 HA LYS 15 HA LYS 15 -9.148 -1.379 6.856 118 1HB LYS 15 1HB LYS 15 -11.030 -3.464 7.042 119 2HB LYS 15 2HB LYS 15 -9.477 -4.242 6.776 120 1HG LYS 15 1HG LYS 15 -8.565 -2.898 8.672 121 2HG LYS 15 2HG LYS 15 -10.211 -2.345 8.990 122 1HD LYS 15 1HD LYS 15 -10.936 -4.624 9.374 123 2HD LYS 15 2HD LYS 15 -9.335 -5.233 8.950 124 1HE LYS 15 1HE LYS 15 -9.108 -5.212 11.211 125 2HE LYS 15 2HE LYS 15 -8.614 -3.553 10.878 126 1HZ LYS 15 1HZ LYS 15 -10.875 -2.829 11.361 127 2HZ LYS 15 2HZ LYS 15 -11.333 -4.424 11.700 128 3HZ LYS 15 3HZ LYS 15 -10.203 -3.640 12.685 129 H GLU 16 H GLU 16 -9.713 -2.677 3.739 130 HA GLU 16 HA GLU 16 -7.127 -3.934 3.486 131 1HB GLU 16 1HB GLU 16 -9.371 -3.408 1.545 132 2HB GLU 16 2HB GLU 16 -7.840 -4.112 1.044 133 1HG GLU 16 1HG GLU 16 -9.437 -5.324 3.264 134 2HG GLU 16 2HG GLU 16 -9.812 -5.670 1.577 135 H ILE 17 H ILE 17 -8.615 -0.863 2.597 136 HA ILE 17 HA ILE 17 -6.345 -0.044 1.009 137 HB ILE 17 HB ILE 17 -8.523 0.810 0.402 138 1HG1 ILE 17 1HG1 ILE 17 -6.382 2.239 0.224 139 2HG1 ILE 17 2HG1 ILE 17 -7.932 3.045 0.013 140 1HG2 ILE 17 1HG2 ILE 17 -8.686 1.420 3.260 141 2HG2 ILE 17 2HG2 ILE 17 -9.304 2.688 2.202 142 3HG2 ILE 17 3HG2 ILE 17 -9.961 1.054 2.098 143 1HD1 ILE 17 1HD1 ILE 17 -7.211 3.132 2.770 144 2HD1 ILE 17 2HD1 ILE 17 -5.855 3.694 1.793 145 3HD1 ILE 17 3HD1 ILE 17 -7.435 4.461 1.633 146 H GLU 18 H GLU 18 -7.461 0.313 4.294 147 HA GLU 18 HA GLU 18 -5.499 2.329 4.951 148 1HB GLU 18 1HB GLU 18 -7.881 1.755 6.040 149 2HB GLU 18 2HB GLU 18 -6.863 0.777 7.088 150 1HG GLU 18 1HG GLU 18 -5.509 2.804 7.566 151 2HG GLU 18 2HG GLU 18 -6.673 3.744 6.633 152 H ARG 19 H ARG 19 -5.908 -1.144 5.297 153 HA ARG 19 HA ARG 19 -3.570 -1.491 6.923 154 1HB ARG 19 1HB ARG 19 -5.506 -3.063 6.950 155 2HB ARG 19 2HB ARG 19 -5.086 -3.555 5.314 156 1HG ARG 19 1HG ARG 19 -3.874 -5.155 6.268 157 2HG ARG 19 2HG ARG 19 -2.724 -3.882 6.682 158 1HD ARG 19 1HD ARG 19 -5.059 -4.465 8.463 159 2HD ARG 19 2HD ARG 19 -3.603 -5.457 8.544 160 HE ARG 19 HE ARG 19 -2.755 -2.836 8.699 161 1HH1 ARG 19 1HH1 ARG 19 -4.819 -4.958 10.532 162 2HH1 ARG 19 2HH1 ARG 19 -4.496 -4.180 12.044 163 1HH2 ARG 19 1HH2 ARG 19 -2.321 -1.802 10.686 164 2HH2 ARG 19 2HH2 ARG 19 -3.076 -2.385 12.132 165 H LEU 20 H LEU 20 -4.324 -1.516 3.512 166 HA LEU 20 HA LEU 20 -1.861 -2.695 2.673 167 1HB LEU 20 1HB LEU 20 -4.078 -1.216 1.303 168 2HB LEU 20 2HB LEU 20 -2.581 -1.531 0.449 169 HG LEU 20 HG LEU 20 -4.148 -3.747 1.742 170 1HD1 LEU 20 1HD1 LEU 20 -5.002 -2.142 -0.435 171 2HD1 LEU 20 2HD1 LEU 20 -4.539 -3.723 -1.066 172 3HD1 LEU 20 3HD1 LEU 20 -5.745 -3.602 0.215 173 1HD2 LEU 20 1HD2 LEU 20 -1.680 -3.552 0.338 174 2HD2 LEU 20 2HD2 LEU 20 -2.457 -4.982 1.015 175 3HD2 LEU 20 3HD2 LEU 20 -2.814 -4.485 -0.639 176 H GLN 21 H GLN 21 -3.070 0.592 3.094 177 HA GLN 21 HA GLN 21 -0.876 1.947 1.968 178 1HB GLN 21 1HB GLN 21 -3.016 3.047 2.420 179 2HB GLN 21 2HB GLN 21 -2.773 2.839 4.148 180 1HG GLN 21 1HG GLN 21 -0.488 4.153 3.230 181 2HG GLN 21 2HG GLN 21 -1.844 4.923 2.408 182 2HE2 GLN 21 2HE2 GLN 21 -3.750 5.364 3.922 183 1HE2 GLN 21 1HE2 GLN 21 -3.350 6.066 5.448 184 H LYS 22 H LYS 22 -1.547 0.868 5.277 185 HA LYS 22 HA LYS 22 0.725 2.037 6.471 186 1HB LYS 22 1HB LYS 22 -1.425 0.856 7.485 187 2HB LYS 22 2HB LYS 22 -0.357 -0.540 7.512 188 1HG LYS 22 1HG LYS 22 1.106 1.608 8.586 189 2HG LYS 22 2HG LYS 22 -0.496 1.662 9.322 190 1HD LYS 22 1HD LYS 22 0.754 0.258 10.725 191 2HD LYS 22 2HD LYS 22 -0.200 -0.844 9.729 192 1HE LYS 22 1HE LYS 22 1.885 -1.816 9.624 193 2HE LYS 22 2HE LYS 22 1.893 -0.807 8.177 194 1HZ LYS 22 1HZ LYS 22 2.910 0.920 9.842 195 2HZ LYS 22 2HZ LYS 22 3.367 -0.473 10.686 196 3HZ LYS 22 3HZ LYS 22 3.885 -0.242 9.094 197 H GLU 23 H GLU 23 0.191 -1.071 4.900 198 HA GLU 23 HA GLU 23 2.642 -2.268 5.608 199 1HB GLU 23 1HB GLU 23 0.372 -2.971 4.103 200 2HB GLU 23 2HB GLU 23 1.740 -3.128 3.009 201 1HG GLU 23 1HG GLU 23 2.003 -5.152 3.884 202 2HG GLU 23 2HG GLU 23 2.666 -4.324 5.292 203 H ILE 24 H ILE 24 1.703 -0.223 2.884 204 HA ILE 24 HA ILE 24 4.100 -0.531 1.422 205 HB ILE 24 HB ILE 24 3.317 1.020 -0.061 206 1HG1 ILE 24 1HG1 ILE 24 1.680 2.919 0.766 207 2HG1 ILE 24 2HG1 ILE 24 2.429 2.595 2.326 208 1HG2 ILE 24 1HG2 ILE 24 1.436 -0.631 0.834 209 2HG2 ILE 24 2HG2 ILE 24 0.644 0.904 1.192 210 3HG2 ILE 24 3HG2 ILE 24 1.146 0.537 -0.455 211 1HD1 ILE 24 1HD1 ILE 24 4.495 2.801 0.402 212 2HD1 ILE 24 2HD1 ILE 24 3.402 4.170 0.186 213 3HD1 ILE 24 3HD1 ILE 24 4.139 3.870 1.760 214 H GLU 25 H GLU 25 3.119 1.696 3.961 215 HA GLU 25 HA GLU 25 5.291 3.457 3.858 216 1HB GLU 25 1HB GLU 25 3.113 2.868 5.675 217 2HB GLU 25 2HB GLU 25 4.589 3.229 6.560 218 1HG GLU 25 1HG GLU 25 4.787 5.359 5.506 219 2HG GLU 25 2HG GLU 25 3.468 4.990 4.396 220 H ARG 26 H ARG 26 4.845 0.420 5.633 221 HA ARG 26 HA ARG 26 7.208 0.437 7.106 222 1HB ARG 26 1HB ARG 26 5.433 -1.204 7.475 223 2HB ARG 26 2HB ARG 26 5.748 -1.924 5.902 224 1HG ARG 26 1HG ARG 26 8.099 -2.379 6.757 225 2HG ARG 26 2HG ARG 26 7.470 -1.983 8.357 226 1HD ARG 26 1HD ARG 26 6.515 -4.173 6.519 227 2HD ARG 26 2HD ARG 26 7.385 -4.368 8.041 228 HE ARG 26 HE ARG 26 5.016 -2.935 8.512 229 1HH1 ARG 26 1HH1 ARG 26 6.092 -6.131 7.649 230 2HH1 ARG 26 2HH1 ARG 26 4.729 -6.925 8.363 231 1HH2 ARG 26 1HH2 ARG 26 3.216 -3.969 9.458 232 2HH2 ARG 26 2HH2 ARG 26 3.093 -5.695 9.391 233 H HIS 27 H HIS 27 6.578 -0.923 3.881 234 HA HIS 27 HA HIS 27 9.233 -1.773 3.411 235 1HB HIS 27 1HB HIS 27 6.745 -1.722 1.973 236 2HB HIS 27 2HB HIS 27 8.040 -1.154 0.924 237 HD1 HIS 27 HD1 HIS 27 10.118 -2.853 0.674 238 HD2 HIS 27 HD2 HIS 27 6.631 -4.428 2.294 239 HE1 HIS 27 HE1 HIS 27 10.357 -5.349 0.484 240 HE2 HIS 27 HE2 HIS 27 8.235 -6.284 1.470 241 H LYS 28 H LYS 28 7.689 1.308 3.232 242 HA LYS 28 HA LYS 28 9.615 2.516 1.482 243 1HB LYS 28 1HB LYS 28 7.195 3.257 1.834 244 2HB LYS 28 2HB LYS 28 7.745 3.970 3.343 245 1HG LYS 28 1HG LYS 28 9.429 4.757 1.131 246 2HG LYS 28 2HG LYS 28 7.735 5.162 0.842 247 1HD LYS 28 1HD LYS 28 9.179 5.835 3.398 248 2HD LYS 28 2HD LYS 28 9.102 6.929 2.015 249 1HE LYS 28 1HE LYS 28 6.887 7.374 2.315 250 2HE LYS 28 2HE LYS 28 6.549 5.784 2.999 251 1HZ LYS 28 1HZ LYS 28 8.202 6.964 4.821 252 2HZ LYS 28 2HZ LYS 28 7.195 8.231 4.328 253 3HZ LYS 28 3HZ LYS 28 6.523 6.810 4.955 254 H GLN 29 H GLN 29 9.328 1.951 4.880 255 HA GLN 29 HA GLN 29 11.233 3.949 5.672 256 1HB GLN 29 1HB GLN 29 9.439 3.115 7.178 257 2HB GLN 29 2HB GLN 29 10.235 1.548 7.214 258 1HG GLN 29 1HG GLN 29 12.134 2.451 8.329 259 2HG GLN 29 2HG GLN 29 11.548 4.100 8.108 260 2HE2 GLN 29 2HE2 GLN 29 9.344 4.502 9.082 261 1HE2 GLN 29 1HE2 GLN 29 9.058 3.836 10.650 262 H SER 30 H SER 30 11.273 0.479 5.044 263 HA SER 30 HA SER 30 13.970 0.083 5.872 264 1HB SER 30 1HB SER 30 13.717 -2.075 4.525 265 2HB SER 30 2HB SER 30 12.589 -1.846 5.861 266 HG SER 30 HG SER 30 11.642 -2.548 3.821 267 H ILE 31 H ILE 31 12.416 0.801 2.788 268 HA ILE 31 HA ILE 31 14.815 0.503 1.248 269 HB ILE 31 HB ILE 31 12.654 0.192 0.195 270 1HG1 ILE 31 1HG1 ILE 31 12.923 1.894 -1.708 271 2HG1 ILE 31 2HG1 ILE 31 14.300 2.509 -0.797 272 1HG2 ILE 31 1HG2 ILE 31 11.830 2.320 1.690 273 2HG2 ILE 31 2HG2 ILE 31 11.920 3.016 0.071 274 3HG2 ILE 31 3HG2 ILE 31 10.920 1.593 0.366 275 1HD1 ILE 31 1HD1 ILE 31 15.232 0.181 -0.852 276 2HD1 ILE 31 2HD1 ILE 31 13.945 -0.220 -1.988 277 3HD1 ILE 31 3HD1 ILE 31 15.141 1.006 -2.409 278 H LYS 32 H LYS 32 13.274 3.083 2.998 279 HA LYS 32 HA LYS 32 14.765 5.198 1.760 280 1HB LYS 32 1HB LYS 32 12.575 5.627 2.766 281 2HB LYS 32 2HB LYS 32 13.191 5.146 4.341 282 1HG LYS 32 1HG LYS 32 14.947 7.114 3.547 283 2HG LYS 32 2HG LYS 32 13.384 7.691 2.966 284 1HD LYS 32 1HD LYS 32 13.285 8.525 5.078 285 2HD LYS 32 2HD LYS 32 12.648 6.912 5.407 286 1HE LYS 32 1HE LYS 32 14.902 6.167 6.035 287 2HE LYS 32 2HE LYS 32 15.513 7.794 5.738 288 1HZ LYS 32 1HZ LYS 32 13.330 7.292 7.666 289 2HZ LYS 32 2HZ LYS 32 14.955 7.167 8.120 290 3HZ LYS 32 3HZ LYS 32 14.348 8.640 7.553 291 H LYS 33 H LYS 33 15.205 3.052 4.460 292 HA LYS 33 HA LYS 33 17.325 4.573 5.667 293 1HB LYS 33 1HB LYS 33 15.915 2.045 6.204 294 2HB LYS 33 2HB LYS 33 17.608 2.053 6.675 295 1HG LYS 33 1HG LYS 33 16.488 4.485 7.566 296 2HG LYS 33 2HG LYS 33 15.372 3.194 8.012 297 1HD LYS 33 1HD LYS 33 16.758 3.121 9.822 298 2HD LYS 33 2HD LYS 33 17.626 2.013 8.758 299 1HE LYS 33 1HE LYS 33 19.190 3.683 8.145 300 2HE LYS 33 2HE LYS 33 18.213 4.961 8.866 301 1HZ LYS 33 1HZ LYS 33 18.974 2.894 10.719 302 2HZ LYS 33 2HZ LYS 33 20.291 3.731 10.068 303 3HZ LYS 33 3HZ LYS 33 19.069 4.576 10.875 304 H LEU 34 H LEU 34 17.063 1.858 3.446 305 HA LEU 34 HA LEU 34 19.854 1.254 3.435 306 1HB LEU 34 1HB LEU 34 17.443 0.339 2.023 307 2HB LEU 34 2HB LEU 34 18.916 0.251 1.076 308 HG LEU 34 HG LEU 34 18.759 -0.938 3.831 309 1HD1 LEU 34 1HD1 LEU 34 17.677 -1.988 1.270 310 2HD1 LEU 34 2HD1 LEU 34 18.475 -3.110 2.372 311 3HD1 LEU 34 3HD1 LEU 34 17.077 -2.183 2.916 312 1HD2 LEU 34 1HD2 LEU 34 20.923 -0.502 2.421 313 2HD2 LEU 34 2HD2 LEU 34 20.714 -2.018 3.298 314 3HD2 LEU 34 3HD2 LEU 34 20.405 -1.952 1.562 315 H LYS 35 H LYS 35 17.764 3.383 1.620 316 HA LYS 35 HA LYS 35 19.659 3.922 -0.460 317 1HB LYS 35 1HB LYS 35 17.255 4.184 -0.842 318 2HB LYS 35 2HB LYS 35 17.185 5.439 0.388 319 1HG LYS 35 1HG LYS 35 19.158 6.284 -1.385 320 2HG LYS 35 2HG LYS 35 17.870 5.635 -2.401 321 1HD LYS 35 1HD LYS 35 17.183 7.463 -0.142 322 2HD LYS 35 2HD LYS 35 17.822 8.138 -1.641 323 1HE LYS 35 1HE LYS 35 15.855 7.907 -2.649 324 2HE LYS 35 2HE LYS 35 15.786 6.199 -2.219 325 1HZ LYS 35 1HZ LYS 35 15.157 8.200 -0.167 326 2HZ LYS 35 2HZ LYS 35 13.996 7.859 -1.349 327 3HZ LYS 35 3HZ LYS 35 14.570 6.623 -0.348 328 H GLN 36 H GLN 36 18.759 5.430 2.590 329 HA GLN 36 HA GLN 36 20.336 7.777 2.208 330 1HB GLN 36 1HB GLN 36 18.353 7.461 3.799 331 2HB GLN 36 2HB GLN 36 19.489 6.657 4.873 332 1HG GLN 36 1HG GLN 36 20.539 9.183 3.972 333 2HG GLN 36 2HG GLN 36 18.950 9.382 4.711 334 2HE2 GLN 36 2HE2 GLN 36 21.486 10.297 5.706 335 1HE2 GLN 36 1HE2 GLN 36 21.727 9.541 7.241 336 H SER 37 H SER 37 20.930 4.585 3.465 337 HA SER 37 HA SER 37 23.368 5.212 4.809 338 1HB SER 37 1HB SER 37 21.684 2.986 4.638 339 2HB SER 37 2HB SER 37 23.202 2.457 3.911 340 HG SER 37 HG SER 37 22.640 2.733 6.478 341 H GLU 38 H GLU 38 22.496 4.386 1.543 342 HA GLU 38 HA GLU 38 25.095 3.647 0.655 343 1HB GLU 38 1HB GLU 38 22.736 3.271 -0.435 344 2HB GLU 38 2HB GLU 38 23.050 4.829 -1.186 345 1HG GLU 38 1HG GLU 38 25.184 3.901 -2.068 346 2HG GLU 38 2HG GLU 38 24.699 2.327 -1.439 347 H ASP 39 H ASP 39 23.492 6.670 1.167 348 HA ASP 39 HA ASP 39 25.748 8.079 -0.101 349 1HB ASP 39 1HB ASP 39 23.008 8.408 -0.532 350 2HB ASP 39 2HB ASP 39 23.463 9.769 0.489 351 H ASP 40 H ASP 40 25.506 6.953 2.651 352 HA ASP 40 HA ASP 40 25.673 9.434 4.221 353 1HB ASP 40 1HB ASP 40 24.064 7.647 4.965 354 2HB ASP 40 2HB ASP 40 25.452 6.607 5.269 355 H ASP 41 H ASP 41 27.207 6.212 4.294 356 HA ASP 41 HA ASP 41 29.588 7.210 5.497 357 1HB ASP 41 1HB ASP 41 28.539 4.614 4.643 358 2HB ASP 41 2HB ASP 41 30.278 4.768 4.417 359 H1 ALA 1 H1 ALA 1 34.165 2.457 -8.620 360 H2 ALA 1 H2 ALA 1 33.048 2.226 -9.902 361 H3 ALA 1 H3 ALA 1 33.173 3.757 -9.135 362 HA ALA 1 HA ALA 1 32.039 3.138 -7.345 363 1HB ALA 1 1HB ALA 1 30.083 2.559 -8.240 364 2HB ALA 1 2HB ALA 1 30.688 0.978 -8.736 365 3HB ALA 1 3HB ALA 1 30.950 2.386 -9.766 366 H LEU 2 H LEU 2 30.929 1.102 -6.210 367 HA LEU 2 HA LEU 2 32.237 -1.366 -6.169 368 1HB LEU 2 1HB LEU 2 33.585 -1.186 -4.143 369 2HB LEU 2 2HB LEU 2 34.176 -0.115 -5.399 370 HG LEU 2 HG LEU 2 32.281 1.168 -3.572 371 1HD1 LEU 2 1HD1 LEU 2 34.551 -0.359 -2.513 372 2HD1 LEU 2 2HD1 LEU 2 34.475 1.322 -1.988 373 3HD1 LEU 2 3HD1 LEU 2 33.108 0.245 -1.701 374 1HD2 LEU 2 1HD2 LEU 2 33.740 2.240 -5.331 375 2HD2 LEU 2 2HD2 LEU 2 33.806 2.970 -3.727 376 3HD2 LEU 2 3HD2 LEU 2 35.110 1.914 -4.270 377 H LYS 3 H LYS 3 31.297 -2.800 -4.724 378 HA LYS 3 HA LYS 3 29.757 -3.622 -3.260 379 1HB LYS 3 1HB LYS 3 30.750 -1.471 -1.952 380 2HB LYS 3 2HB LYS 3 29.060 -1.003 -2.077 381 1HG LYS 3 1HG LYS 3 28.338 -2.812 -0.802 382 2HG LYS 3 2HG LYS 3 29.842 -3.703 -1.045 383 1HD LYS 3 1HD LYS 3 30.490 -1.233 0.188 384 2HD LYS 3 2HD LYS 3 29.137 -1.935 1.075 385 1HE LYS 3 1HE LYS 3 30.349 -3.968 1.441 386 2HE LYS 3 2HE LYS 3 31.650 -3.442 0.373 387 1HZ LYS 3 1HZ LYS 3 32.013 -1.573 1.968 388 2HZ LYS 3 2HZ LYS 3 30.938 -2.334 3.029 389 3HZ LYS 3 3HZ LYS 3 32.375 -3.107 2.583 390 H LYS 4 H LYS 4 28.160 -4.205 -4.651 391 HA LYS 4 HA LYS 4 26.099 -2.186 -5.245 392 1HB LYS 4 1HB LYS 4 26.800 -4.692 -6.783 393 2HB LYS 4 2HB LYS 4 25.498 -3.584 -7.191 394 1HG LYS 4 1HG LYS 4 27.742 -1.964 -7.004 395 2HG LYS 4 2HG LYS 4 28.316 -3.431 -7.802 396 1HD LYS 4 1HD LYS 4 26.750 -3.210 -9.554 397 2HD LYS 4 2HD LYS 4 25.816 -2.002 -8.670 398 1HE LYS 4 1HE LYS 4 27.866 -0.526 -8.788 399 2HE LYS 4 2HE LYS 4 28.533 -1.693 -9.928 400 1HZ LYS 4 1HZ LYS 4 25.895 -0.420 -10.347 401 2HZ LYS 4 2HZ LYS 4 27.328 0.289 -10.897 402 3HZ LYS 4 3HZ LYS 4 26.859 -1.229 -11.478 403 H HIS 5 H HIS 5 26.419 -3.975 -2.861 404 HA HIS 5 HA HIS 5 24.313 -5.922 -3.066 405 1HB HIS 5 1HB HIS 5 25.438 -4.922 -0.466 406 2HB HIS 5 2HB HIS 5 24.847 -6.531 -0.869 407 HD1 HIS 5 HD1 HIS 5 26.649 -6.636 -3.560 408 HD2 HIS 5 HD2 HIS 5 27.933 -5.908 0.325 409 HE1 HIS 5 HE1 HIS 5 29.084 -7.260 -3.530 410 HE2 HIS 5 HE2 HIS 5 29.843 -6.812 -1.169 411 H HIS 6 H HIS 6 24.688 -2.681 -1.728 412 HA HIS 6 HA HIS 6 22.228 -2.530 -0.384 413 1HB HIS 6 1HB HIS 6 23.947 -0.379 -1.632 414 2HB HIS 6 2HB HIS 6 22.516 -0.033 -0.667 415 HD1 HIS 6 HD1 HIS 6 24.133 -2.876 0.794 416 HD2 HIS 6 HD2 HIS 6 24.737 1.234 0.902 417 HE1 HIS 6 HE1 HIS 6 25.552 -2.459 2.828 418 HE2 HIS 6 HE2 HIS 6 25.906 0.036 2.874 419 H GLU 7 H GLU 7 23.106 -1.331 -3.627 420 HA GLU 7 HA GLU 7 20.619 -0.442 -4.424 421 1HB GLU 7 1HB GLU 7 23.119 -0.902 -5.644 422 2HB GLU 7 2HB GLU 7 21.930 -1.741 -6.631 423 1HG GLU 7 1HG GLU 7 20.948 0.171 -7.326 424 2HG GLU 7 2HG GLU 7 21.257 1.012 -5.807 425 H ASN 8 H ASN 8 21.747 -3.682 -3.993 426 HA ASN 8 HA ASN 8 19.851 -4.997 -5.653 427 1HB ASN 8 1HB ASN 8 22.071 -5.785 -4.227 428 2HB ASN 8 2HB ASN 8 20.755 -6.498 -3.299 429 2HD2 ASN 8 2HD2 ASN 8 20.789 -8.576 -3.819 430 1HD2 ASN 8 1HD2 ASN 8 20.736 -9.209 -5.427 431 H GLU 9 H GLU 9 20.015 -4.761 -2.086 432 HA GLU 9 HA GLU 9 17.318 -5.633 -1.749 433 1HB GLU 9 1HB GLU 9 19.085 -4.139 0.199 434 2HB GLU 9 2HB GLU 9 17.622 -5.029 0.598 435 1HG GLU 9 1HG GLU 9 18.691 -6.981 0.654 436 2HG GLU 9 2HG GLU 9 19.585 -6.638 -0.825 437 H ILE 10 H ILE 10 18.599 -2.728 -2.812 438 HA ILE 10 HA ILE 10 16.524 -1.029 -1.721 439 HB ILE 10 HB ILE 10 18.938 -0.525 -3.461 440 1HG1 ILE 10 1HG1 ILE 10 18.253 0.637 -0.767 441 2HG1 ILE 10 2HG1 ILE 10 19.129 -0.879 -0.951 442 1HG2 ILE 10 1HG2 ILE 10 17.067 0.939 -4.182 443 2HG2 ILE 10 2HG2 ILE 10 16.998 1.585 -2.540 444 3HG2 ILE 10 3HG2 ILE 10 18.449 1.811 -3.519 445 1HD1 ILE 10 1HD1 ILE 10 20.824 0.386 -2.298 446 2HD1 ILE 10 2HD1 ILE 10 19.996 1.864 -1.810 447 3HD1 ILE 10 3HD1 ILE 10 20.730 0.821 -0.592 448 H SER 11 H SER 11 17.345 -2.761 -4.616 449 HA SER 11 HA SER 11 15.436 -1.376 -6.277 450 1HB SER 11 1HB SER 11 16.180 -2.734 -8.032 451 2HB SER 11 2HB SER 11 17.616 -2.614 -7.016 452 HG SER 11 HG SER 11 17.082 -4.780 -7.708 453 H HIS 12 H HIS 12 15.569 -4.208 -4.255 454 HA HIS 12 HA HIS 12 13.092 -5.298 -5.219 455 1HB HIS 12 1HB HIS 12 14.184 -7.081 -4.368 456 2HB HIS 12 2HB HIS 12 15.219 -6.078 -3.366 457 HD1 HIS 12 HD1 HIS 12 11.961 -7.953 -3.294 458 HD2 HIS 12 HD2 HIS 12 14.480 -5.891 -0.715 459 HE1 HIS 12 HE1 HIS 12 11.120 -8.472 -0.980 460 HE2 HIS 12 HE2 HIS 12 12.661 -7.216 0.569 461 H HIS 13 H HIS 13 14.135 -3.580 -2.248 462 HA HIS 13 HA HIS 13 11.522 -3.454 -1.145 463 1HB HIS 13 1HB HIS 13 13.884 -1.629 -0.649 464 2HB HIS 13 2HB HIS 13 12.419 -1.692 0.323 465 HD1 HIS 13 HD1 HIS 13 12.305 -4.887 0.360 466 HD2 HIS 13 HD2 HIS 13 15.528 -2.476 1.370 467 HE1 HIS 13 HE1 HIS 13 13.721 -6.278 1.910 468 HE2 HIS 13 HE2 HIS 13 15.673 -4.799 2.509 469 H ALA 14 H ALA 14 13.207 -1.613 -3.551 470 HA ALA 14 HA ALA 14 11.627 0.740 -3.439 471 1HB ALA 14 1HB ALA 14 13.568 -0.437 -5.350 472 2HB ALA 14 2HB ALA 14 13.534 1.164 -4.609 473 3HB ALA 14 3HB ALA 14 12.466 0.796 -5.964 474 H LYS 15 H LYS 15 11.497 -2.177 -5.457 475 HA LYS 15 HA LYS 15 9.146 -1.375 -6.858 476 1HB LYS 15 1HB LYS 15 11.030 -3.460 -7.044 477 2HB LYS 15 2HB LYS 15 9.477 -4.238 -6.778 478 1HG LYS 15 1HG LYS 15 8.565 -2.892 -8.673 479 2HG LYS 15 2HG LYS 15 10.211 -2.339 -8.992 480 1HD LYS 15 1HD LYS 15 10.936 -4.617 -9.377 481 2HD LYS 15 2HD LYS 15 9.336 -5.227 -8.953 482 1HE LYS 15 1HE LYS 15 9.109 -5.206 -11.214 483 2HE LYS 15 2HE LYS 15 8.614 -3.547 -10.880 484 1HZ LYS 15 1HZ LYS 15 10.874 -2.822 -11.362 485 2HZ LYS 15 2HZ LYS 15 11.334 -4.415 -11.703 486 3HZ LYS 15 3HZ LYS 15 10.203 -3.631 -12.687 487 H GLU 16 H GLU 16 9.713 -2.675 -3.741 488 HA GLU 16 HA GLU 16 7.128 -3.932 -3.489 489 1HB GLU 16 1HB GLU 16 9.372 -3.406 -1.547 490 2HB GLU 16 2HB GLU 16 7.840 -4.111 -1.047 491 1HG GLU 16 1HG GLU 16 9.438 -5.321 -3.267 492 2HG GLU 16 2HG GLU 16 9.811 -5.668 -1.579 493 H ILE 17 H ILE 17 8.615 -0.860 -2.598 494 HA ILE 17 HA ILE 17 6.344 -0.043 -1.009 495 HB ILE 17 HB ILE 17 8.522 0.810 -0.401 496 1HG1 ILE 17 1HG1 ILE 17 6.382 2.239 -0.223 497 2HG1 ILE 17 2HG1 ILE 17 7.931 3.045 -0.012 498 1HG2 ILE 17 1HG2 ILE 17 8.685 1.423 -3.259 499 2HG2 ILE 17 2HG2 ILE 17 9.304 2.690 -2.200 500 3HG2 ILE 17 3HG2 ILE 17 9.961 1.055 -2.096 501 1HD1 ILE 17 1HD1 ILE 17 7.211 3.135 -2.768 502 2HD1 ILE 17 2HD1 ILE 17 5.855 3.694 -1.791 503 3HD1 ILE 17 3HD1 ILE 17 7.434 4.463 -1.630 504 H GLU 18 H GLU 18 7.461 0.316 -4.294 505 HA GLU 18 HA GLU 18 5.499 2.333 -4.950 506 1HB GLU 18 1HB GLU 18 7.882 1.760 -6.039 507 2HB GLU 18 2HB GLU 18 6.864 0.782 -7.088 508 1HG GLU 18 1HG GLU 18 5.509 2.808 -7.564 509 2HG GLU 18 2HG GLU 18 6.673 3.749 -6.631 510 H ARG 19 H ARG 19 5.908 -1.141 -5.297 511 HA ARG 19 HA ARG 19 3.569 -1.486 -6.924 512 1HB ARG 19 1HB ARG 19 5.505 -3.058 -6.952 513 2HB ARG 19 2HB ARG 19 5.086 -3.552 -5.317 514 1HG ARG 19 1HG ARG 19 3.874 -5.150 -6.271 515 2HG ARG 19 2HG ARG 19 2.724 -3.877 -6.685 516 1HD ARG 19 1HD ARG 19 5.058 -4.460 -8.467 517 2HD ARG 19 2HD ARG 19 3.603 -5.452 -8.548 518 HE ARG 19 HE ARG 19 2.755 -2.830 -8.701 519 1HH1 ARG 19 1HH1 ARG 19 4.819 -4.951 -10.535 520 2HH1 ARG 19 2HH1 ARG 19 4.496 -4.172 -12.048 521 1HH2 ARG 19 1HH2 ARG 19 2.321 -1.795 -10.688 522 2HH2 ARG 19 2HH2 ARG 19 3.075 -2.377 -12.134 523 H LEU 20 H LEU 20 4.323 -1.514 -3.513 524 HA LEU 20 HA LEU 20 1.861 -2.693 -2.676 525 1HB LEU 20 1HB LEU 20 4.078 -1.215 -1.304 526 2HB LEU 20 2HB LEU 20 2.580 -1.532 -0.450 527 HG LEU 20 HG LEU 20 4.148 -3.747 -1.745 528 1HD1 LEU 20 1HD1 LEU 20 5.001 -2.142 0.434 529 2HD1 LEU 20 2HD1 LEU 20 4.538 -3.724 1.063 530 3HD1 LEU 20 3HD1 LEU 20 5.745 -3.603 -0.217 531 1HD2 LEU 20 1HD2 LEU 20 1.680 -3.552 -0.340 532 2HD2 LEU 20 2HD2 LEU 20 2.457 -4.983 -1.019 533 3HD2 LEU 20 3HD2 LEU 20 2.814 -4.486 0.636 534 H GLN 21 H GLN 21 3.070 0.594 -3.093 535 HA GLN 21 HA GLN 21 0.875 1.948 -1.967 536 1HB GLN 21 1HB GLN 21 3.016 3.049 -2.418 537 2HB GLN 21 2HB GLN 21 2.773 2.841 -4.147 538 1HG GLN 21 1HG GLN 21 0.487 4.155 -3.227 539 2HG GLN 21 2HG GLN 21 1.844 4.925 -2.404 540 2HE2 GLN 21 2HE2 GLN 21 3.750 5.366 -3.918 541 1HE2 GLN 21 1HE2 GLN 21 3.351 6.069 -5.444 542 H LYS 22 H LYS 22 1.547 0.873 -5.277 543 HA LYS 22 HA LYS 22 -0.725 2.042 -6.470 544 1HB LYS 22 1HB LYS 22 1.426 0.861 -7.484 545 2HB LYS 22 2HB LYS 22 0.357 -0.535 -7.513 546 1HG LYS 22 1HG LYS 22 -1.106 1.614 -8.585 547 2HG LYS 22 2HG LYS 22 0.497 1.668 -9.321 548 1HD LYS 22 1HD LYS 22 -0.753 0.265 -10.725 549 2HD LYS 22 2HD LYS 22 0.201 -0.837 -9.729 550 1HE LYS 22 1HE LYS 22 -1.885 -1.810 -9.625 551 2HE LYS 22 2HE LYS 22 -1.892 -0.802 -8.178 552 1HZ LYS 22 1HZ LYS 22 -2.910 0.927 -9.841 553 2HZ LYS 22 2HZ LYS 22 -3.367 -0.466 -10.686 554 3HZ LYS 22 3HZ LYS 22 -3.884 -0.236 -9.093 555 H GLU 23 H GLU 23 -0.191 -1.067 -4.902 556 HA GLU 23 HA GLU 23 -2.642 -2.264 -5.611 557 1HB GLU 23 1HB GLU 23 -0.372 -2.968 -4.106 558 2HB GLU 23 2HB GLU 23 -1.740 -3.125 -3.012 559 1HG GLU 23 1HG GLU 23 -2.003 -5.149 -3.888 560 2HG GLU 23 2HG GLU 23 -2.666 -4.320 -5.296 561 H ILE 24 H ILE 24 -1.703 -0.220 -2.884 562 HA ILE 24 HA ILE 24 -4.100 -0.529 -1.422 563 HB ILE 24 HB ILE 24 -3.317 1.020 0.061 564 1HG1 ILE 24 1HG1 ILE 24 -1.679 2.919 -0.765 565 2HG1 ILE 24 2HG1 ILE 24 -2.430 2.597 -2.325 566 1HG2 ILE 24 1HG2 ILE 24 -1.436 -0.631 -0.834 567 2HG2 ILE 24 2HG2 ILE 24 -0.644 0.904 -1.192 568 3HG2 ILE 24 3HG2 ILE 24 -1.146 0.537 0.455 569 1HD1 ILE 24 1HD1 ILE 24 -4.494 2.801 -0.399 570 2HD1 ILE 24 2HD1 ILE 24 -3.401 4.170 -0.182 571 3HD1 ILE 24 3HD1 ILE 24 -4.139 3.872 -1.756 572 H GLU 25 H GLU 25 -3.119 1.698 -3.960 573 HA GLU 25 HA GLU 25 -5.291 3.459 -3.857 574 1HB GLU 25 1HB GLU 25 -3.114 2.871 -5.673 575 2HB GLU 25 2HB GLU 25 -4.589 3.233 -6.558 576 1HG GLU 25 1HG GLU 25 -4.787 5.362 -5.503 577 2HG GLU 25 2HG GLU 25 -3.468 4.992 -4.393 578 H ARG 26 H ARG 26 -4.845 0.423 -5.633 579 HA ARG 26 HA ARG 26 -7.208 0.442 -7.107 580 1HB ARG 26 1HB ARG 26 -5.433 -1.200 -7.476 581 2HB ARG 26 2HB ARG 26 -5.749 -1.919 -5.904 582 1HG ARG 26 1HG ARG 26 -8.100 -2.375 -6.759 583 2HG ARG 26 2HG ARG 26 -7.471 -1.977 -8.359 584 1HD ARG 26 1HD ARG 26 -6.516 -4.169 -6.522 585 2HD ARG 26 2HD ARG 26 -7.385 -4.364 -8.044 586 HE ARG 26 HE ARG 26 -5.016 -2.929 -8.515 587 1HH1 ARG 26 1HH1 ARG 26 -6.093 -6.126 -7.653 588 2HH1 ARG 26 2HH1 ARG 26 -4.729 -6.920 -8.368 589 1HH2 ARG 26 1HH2 ARG 26 -3.216 -3.962 -9.460 590 2HH2 ARG 26 2HH2 ARG 26 -3.093 -5.688 -9.395 591 H HIS 27 H HIS 27 -6.579 -0.920 -3.881 592 HA HIS 27 HA HIS 27 -9.234 -1.771 -3.413 593 1HB HIS 27 1HB HIS 27 -6.745 -1.721 -1.975 594 2HB HIS 27 2HB HIS 27 -8.040 -1.154 -0.925 595 HD1 HIS 27 HD1 HIS 27 -10.119 -2.853 -0.676 596 HD2 HIS 27 HD2 HIS 27 -6.631 -4.426 -2.297 597 HE1 HIS 27 HE1 HIS 27 -10.358 -5.349 -0.489 598 HE2 HIS 27 HE2 HIS 27 -8.236 -6.283 -1.477 599 H LYS 28 H LYS 28 -7.689 1.311 -3.231 600 HA LYS 28 HA LYS 28 -9.614 2.517 -1.480 601 1HB LYS 28 1HB LYS 28 -7.195 3.259 -1.832 602 2HB LYS 28 2HB LYS 28 -7.745 3.973 -3.341 603 1HG LYS 28 1HG LYS 28 -9.429 4.757 -1.129 604 2HG LYS 28 2HG LYS 28 -7.736 5.162 -0.838 605 1HD LYS 28 1HD LYS 28 -9.179 5.838 -3.393 606 2HD LYS 28 2HD LYS 28 -9.102 6.931 -2.010 607 1HE LYS 28 1HE LYS 28 -6.887 7.376 -2.310 608 2HE LYS 28 2HE LYS 28 -6.549 5.787 -2.995 609 1HZ LYS 28 1HZ LYS 28 -8.203 6.967 -4.816 610 2HZ LYS 28 2HZ LYS 28 -7.195 8.233 -4.322 611 3HZ LYS 28 3HZ LYS 28 -6.523 6.814 -4.951 612 H GLN 29 H GLN 29 -9.328 1.954 -4.878 613 HA GLN 29 HA GLN 29 -11.234 3.953 -5.669 614 1HB GLN 29 1HB GLN 29 -9.439 3.119 -7.176 615 2HB GLN 29 2HB GLN 29 -10.236 1.552 -7.212 616 1HG GLN 29 1HG GLN 29 -12.134 2.457 -8.328 617 2HG GLN 29 2HG GLN 29 -11.548 4.105 -8.104 618 2HE2 GLN 29 2HE2 GLN 29 -9.345 4.508 -9.079 619 1HE2 GLN 29 1HE2 GLN 29 -9.058 3.843 -10.647 620 H SER 30 H SER 30 -11.274 0.482 -5.044 621 HA SER 30 HA SER 30 -13.970 0.087 -5.872 622 1HB SER 30 1HB SER 30 -13.717 -2.073 -4.525 623 2HB SER 30 2HB SER 30 -12.590 -1.842 -5.861 624 HG SER 30 HG SER 30 -11.643 -2.545 -3.820 625 H ILE 31 H ILE 31 -12.416 0.804 -2.788 626 HA ILE 31 HA ILE 31 -14.815 0.504 -1.247 627 HB ILE 31 HB ILE 31 -12.654 0.192 -0.195 628 1HG1 ILE 31 1HG1 ILE 31 -12.922 1.893 1.709 629 2HG1 ILE 31 2HG1 ILE 31 -14.299 2.510 0.799 630 1HG2 ILE 31 1HG2 ILE 31 -11.831 2.322 -1.689 631 2HG2 ILE 31 2HG2 ILE 31 -11.920 3.016 -0.070 632 3HG2 ILE 31 3HG2 ILE 31 -10.920 1.594 -0.365 633 1HD1 ILE 31 1HD1 ILE 31 -15.232 0.181 0.853 634 2HD1 ILE 31 2HD1 ILE 31 -13.945 -0.221 1.988 635 3HD1 ILE 31 3HD1 ILE 31 -15.141 1.004 2.410 636 H LYS 32 H LYS 32 -13.274 3.085 -2.996 637 HA LYS 32 HA LYS 32 -14.765 5.199 -1.757 638 1HB LYS 32 1HB LYS 32 -12.575 5.629 -2.763 639 2HB LYS 32 2HB LYS 32 -13.191 5.148 -4.338 640 1HG LYS 32 1HG LYS 32 -14.947 7.117 -3.542 641 2HG LYS 32 2HG LYS 32 -13.384 7.693 -2.960 642 1HD LYS 32 1HD LYS 32 -13.285 8.529 -5.072 643 2HD LYS 32 2HD LYS 32 -12.648 6.916 -5.402 644 1HE LYS 32 1HE LYS 32 -14.902 6.172 -6.030 645 2HE LYS 32 2HE LYS 32 -15.514 7.798 -5.732 646 1HZ LYS 32 1HZ LYS 32 -13.330 7.297 -7.661 647 2HZ LYS 32 2HZ LYS 32 -14.955 7.171 -8.115 648 3HZ LYS 32 3HZ LYS 32 -14.348 8.645 -7.548 649 H LYS 33 H LYS 33 -15.205 3.055 -4.458 650 HA LYS 33 HA LYS 33 -17.325 4.577 -5.664 651 1HB LYS 33 1HB LYS 33 -15.915 2.049 -6.203 652 2HB LYS 33 2HB LYS 33 -17.608 2.057 -6.674 653 1HG LYS 33 1HG LYS 33 -16.488 4.490 -7.562 654 2HG LYS 33 2HG LYS 33 -15.372 3.198 -8.010 655 1HD LYS 33 1HD LYS 33 -16.758 3.129 -9.820 656 2HD LYS 33 2HD LYS 33 -17.626 2.019 -8.757 657 1HE LYS 33 1HE LYS 33 -19.190 3.688 -8.143 658 2HE LYS 33 2HE LYS 33 -18.213 4.967 -8.863 659 1HZ LYS 33 1HZ LYS 33 -18.974 2.901 -10.718 660 2HZ LYS 33 2HZ LYS 33 -20.291 3.738 -10.066 661 3HZ LYS 33 3HZ LYS 33 -19.069 4.583 -10.873 662 H LEU 34 H LEU 34 -17.063 1.860 -3.446 663 HA LEU 34 HA LEU 34 -19.854 1.255 -3.435 664 1HB LEU 34 1HB LEU 34 -17.443 0.340 -2.023 665 2HB LEU 34 2HB LEU 34 -18.915 0.251 -1.076 666 HG LEU 34 HG LEU 34 -18.759 -0.936 -3.832 667 1HD1 LEU 34 1HD1 LEU 34 -17.677 -1.988 -1.270 668 2HD1 LEU 34 2HD1 LEU 34 -18.474 -3.108 -2.373 669 3HD1 LEU 34 3HD1 LEU 34 -17.076 -2.181 -2.917 670 1HD2 LEU 34 1HD2 LEU 34 -20.922 -0.499 -2.422 671 2HD2 LEU 34 2HD2 LEU 34 -20.713 -2.016 -3.299 672 3HD2 LEU 34 3HD2 LEU 34 -20.404 -1.951 -1.563 673 H LYS 35 H LYS 35 -17.763 3.383 -1.618 674 HA LYS 35 HA LYS 35 -19.659 3.921 0.462 675 1HB LYS 35 1HB LYS 35 -17.255 4.183 0.844 676 2HB LYS 35 2HB LYS 35 -17.185 5.439 -0.385 677 1HG LYS 35 1HG LYS 35 -19.158 6.282 1.389 678 2HG LYS 35 2HG LYS 35 -17.869 5.632 2.404 679 1HD LYS 35 1HD LYS 35 -17.183 7.463 0.147 680 2HD LYS 35 2HD LYS 35 -17.822 8.137 1.647 681 1HE LYS 35 1HE LYS 35 -15.855 7.905 2.654 682 2HE LYS 35 2HE LYS 35 -15.786 6.196 2.223 683 1HZ LYS 35 1HZ LYS 35 -15.157 8.200 0.173 684 2HZ LYS 35 2HZ LYS 35 -13.996 7.857 1.355 685 3HZ LYS 35 3HZ LYS 35 -14.570 6.623 0.353 686 H GLN 36 H GLN 36 -18.759 5.432 -2.587 687 HA GLN 36 HA GLN 36 -20.336 7.778 -2.203 688 1HB GLN 36 1HB GLN 36 -18.352 7.463 -3.795 689 2HB GLN 36 2HB GLN 36 -19.489 6.661 -4.869 690 1HG GLN 36 1HG GLN 36 -20.538 9.186 -3.966 691 2HG GLN 36 2HG GLN 36 -18.950 9.385 -4.705 692 2HE2 GLN 36 2HE2 GLN 36 -21.486 10.301 -5.699 693 1HE2 GLN 36 1HE2 GLN 36 -21.726 9.546 -7.234 694 H SER 37 H SER 37 -20.930 4.587 -3.462 695 HA SER 37 HA SER 37 -23.368 5.215 -4.805 696 1HB SER 37 1HB SER 37 -21.685 2.988 -4.636 697 2HB SER 37 2HB SER 37 -23.202 2.460 -3.910 698 HG SER 37 HG SER 37 -22.641 2.738 -6.477 699 H GLU 38 H GLU 38 -22.496 4.387 -1.539 700 HA GLU 38 HA GLU 38 -25.095 3.647 -0.652 701 1HB GLU 38 1HB GLU 38 -22.736 3.270 0.438 702 2HB GLU 38 2HB GLU 38 -23.050 4.828 1.189 703 1HG GLU 38 1HG GLU 38 -25.183 3.900 2.070 704 2HG GLU 38 2HG GLU 38 -24.700 2.326 1.440 705 H ASP 39 H ASP 39 -23.492 6.671 -1.162 706 HA ASP 39 HA ASP 39 -25.748 8.079 0.107 707 1HB ASP 39 1HB ASP 39 -23.008 8.408 0.537 708 2HB ASP 39 2HB ASP 39 -23.463 9.769 -0.482 709 H ASP 40 H ASP 40 -25.506 6.955 -2.646 710 HA ASP 40 HA ASP 40 -25.673 9.437 -4.214 711 1HB ASP 40 1HB ASP 40 -24.064 7.651 -4.960 712 2HB ASP 40 2HB ASP 40 -25.452 6.610 -5.265 713 H ASP 41 H ASP 41 -27.207 6.214 -4.288 714 HA ASP 41 HA ASP 41 -29.588 7.213 -5.492 715 1HB ASP 41 1HB ASP 41 -28.539 4.616 -4.639 716 2HB ASP 41 2HB ASP 41 -30.278 4.771 -4.413 No H/Q in entry = 716 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -28.965 11.173 2.196 2 H2 ALA 1 H2 ALA 1 -28.097 11.858 0.883 3 H3 ALA 1 H3 ALA 1 -29.710 11.324 0.657 4 HA ALA 1 HA ALA 1 -29.166 9.206 0.512 5 1HB ALA 1 1HB ALA 1 -27.420 8.985 -0.961 6 2HB ALA 1 2HB ALA 1 -27.701 10.724 -1.042 7 3HB ALA 1 3HB ALA 1 -26.378 10.090 -0.064 8 H LEU 2 H LEU 2 -28.410 7.384 1.496 9 HA LEU 2 HA LEU 2 -26.132 7.066 3.019 10 1HB LEU 2 1HB LEU 2 -27.277 7.069 5.336 11 2HB LEU 2 2HB LEU 2 -26.727 8.588 4.655 12 HG LEU 2 HG LEU 2 -29.407 8.229 3.811 13 1HD1 LEU 2 1HD1 LEU 2 -29.198 6.666 5.957 14 2HD1 LEU 2 2HD1 LEU 2 -29.443 8.212 6.770 15 3HD1 LEU 2 3HD1 LEU 2 -30.638 7.624 5.614 16 1HD2 LEU 2 1HD2 LEU 2 -27.813 10.107 5.440 17 2HD2 LEU 2 2HD2 LEU 2 -28.871 10.412 4.063 18 3HD2 LEU 2 3HD2 LEU 2 -29.561 10.159 5.666 19 H LYS 3 H LYS 3 -25.923 4.947 2.781 20 HA LYS 3 HA LYS 3 -28.282 3.243 3.244 21 1HB LYS 3 1HB LYS 3 -25.977 2.792 1.341 22 2HB LYS 3 2HB LYS 3 -27.257 1.630 1.660 23 1HG LYS 3 1HG LYS 3 -28.236 2.541 -0.128 24 2HG LYS 3 2HG LYS 3 -28.693 3.835 0.982 25 1HD LYS 3 1HD LYS 3 -26.020 4.242 -0.014 26 2HD LYS 3 2HD LYS 3 -27.161 4.058 -1.347 27 1HE LYS 3 1HE LYS 3 -28.597 5.715 0.130 28 2HE LYS 3 2HE LYS 3 -27.009 6.154 0.758 29 1HZ LYS 3 1HZ LYS 3 -27.144 5.993 -2.119 30 2HZ LYS 3 2HZ LYS 3 -28.128 7.198 -1.452 31 3HZ LYS 3 3HZ LYS 3 -26.467 7.188 -1.132 32 H LYS 4 H LYS 4 -27.829 1.087 4.077 33 HA LYS 4 HA LYS 4 -25.637 1.169 6.012 34 1HB LYS 4 1HB LYS 4 -27.805 -0.913 5.929 35 2HB LYS 4 2HB LYS 4 -26.839 -0.389 7.301 36 1HG LYS 4 1HG LYS 4 -29.043 1.139 5.938 37 2HG LYS 4 2HG LYS 4 -29.059 0.449 7.563 38 1HD LYS 4 1HD LYS 4 -27.139 2.592 6.661 39 2HD LYS 4 2HD LYS 4 -28.666 2.919 7.482 40 1HE LYS 4 1HE LYS 4 -27.849 2.323 9.484 41 2HE LYS 4 2HE LYS 4 -26.999 0.927 8.825 42 1HZ LYS 4 1HZ LYS 4 -25.780 3.347 7.980 43 2HZ LYS 4 2HZ LYS 4 -25.887 3.301 9.667 44 3HZ LYS 4 3HZ LYS 4 -25.105 2.053 8.834 45 H HIS 5 H HIS 5 -27.097 -1.109 3.694 46 HA HIS 5 HA HIS 5 -25.282 -3.176 3.893 47 1HB HIS 5 1HB HIS 5 -25.819 -3.455 1.342 48 2HB HIS 5 2HB HIS 5 -27.092 -3.680 2.537 49 HD1 HIS 5 HD1 HIS 5 -29.175 -2.432 2.079 50 HD2 HIS 5 HD2 HIS 5 -25.887 -0.674 0.245 51 HE1 HIS 5 HE1 HIS 5 -30.099 -0.517 0.735 52 HE2 HIS 5 HE2 HIS 5 -28.091 0.534 -0.368 53 H HIS 6 H HIS 6 -25.046 -0.202 2.001 54 HA HIS 6 HA HIS 6 -22.677 -0.847 0.624 55 1HB HIS 6 1HB HIS 6 -24.372 1.463 0.951 56 2HB HIS 6 2HB HIS 6 -22.682 1.942 1.061 57 HD1 HIS 6 HD1 HIS 6 -23.730 -0.873 -1.175 58 HD2 HIS 6 HD2 HIS 6 -22.702 3.143 -1.459 59 HE1 HIS 6 HE1 HIS 6 -23.428 -0.428 -3.632 60 HE2 HIS 6 HE2 HIS 6 -22.807 2.009 -3.781 61 H GLU 7 H GLU 7 -23.135 1.146 3.549 62 HA GLU 7 HA GLU 7 -20.479 1.619 4.136 63 1HB GLU 7 1HB GLU 7 -22.937 2.050 5.396 64 2HB GLU 7 2HB GLU 7 -22.001 1.108 6.548 65 1HG GLU 7 1HG GLU 7 -20.145 2.779 6.227 66 2HG GLU 7 2HG GLU 7 -21.304 3.766 5.337 67 H ASN 8 H ASN 8 -22.290 -1.313 4.388 68 HA ASN 8 HA ASN 8 -20.663 -2.640 6.302 69 1HB ASN 8 1HB ASN 8 -22.958 -3.266 4.671 70 2HB ASN 8 2HB ASN 8 -21.786 -4.578 4.588 71 2HD2 ASN 8 2HD2 ASN 8 -24.140 -2.996 6.470 72 1HD2 ASN 8 1HD2 ASN 8 -24.005 -3.978 7.885 73 H GLU 9 H GLU 9 -20.902 -3.119 2.760 74 HA GLU 9 HA GLU 9 -18.477 -4.613 2.636 75 1HB GLU 9 1HB GLU 9 -20.045 -3.214 0.463 76 2HB GLU 9 2HB GLU 9 -18.701 -4.309 0.174 77 1HG GLU 9 1HG GLU 9 -20.015 -6.068 1.399 78 2HG GLU 9 2HG GLU 9 -21.382 -4.956 1.363 79 H ILE 10 H ILE 10 -19.070 -1.336 3.036 80 HA ILE 10 HA ILE 10 -16.719 -0.375 1.657 81 HB ILE 10 HB ILE 10 -18.859 0.967 3.311 82 1HG1 ILE 10 1HG1 ILE 10 -18.203 1.501 0.432 83 2HG1 ILE 10 2HG1 ILE 10 -19.209 0.127 0.883 84 1HG2 ILE 10 1HG2 ILE 10 -16.661 2.094 3.618 85 2HG2 ILE 10 2HG2 ILE 10 -16.623 2.379 1.877 86 3HG2 ILE 10 3HG2 ILE 10 -17.899 3.096 2.861 87 1HD1 ILE 10 1HD1 ILE 10 -20.499 2.009 2.230 88 2HD1 ILE 10 2HD1 ILE 10 -19.794 3.022 0.971 89 3HD1 ILE 10 3HD1 ILE 10 -20.829 1.663 0.532 90 H SER 11 H SER 11 -17.780 -1.262 4.845 91 HA SER 11 HA SER 11 -15.546 -0.061 6.210 92 1HB SER 11 1HB SER 11 -18.035 -1.258 6.960 93 2HB SER 11 2HB SER 11 -16.737 -2.102 7.803 94 HG SER 11 HG SER 11 -17.624 0.508 8.060 95 H HIS 12 H HIS 12 -16.373 -3.123 4.777 96 HA HIS 12 HA HIS 12 -14.197 -4.563 5.965 97 1HB HIS 12 1HB HIS 12 -15.663 -6.176 5.391 98 2HB HIS 12 2HB HIS 12 -16.473 -5.140 4.229 99 HD1 HIS 12 HD1 HIS 12 -13.698 -7.667 4.491 100 HD2 HIS 12 HD2 HIS 12 -15.806 -5.571 1.591 101 HE1 HIS 12 HE1 HIS 12 -13.061 -8.730 2.301 102 HE2 HIS 12 HE2 HIS 12 -14.351 -7.447 0.556 103 H HIS 13 H HIS 13 -14.837 -3.158 2.733 104 HA HIS 13 HA HIS 13 -12.301 -3.856 1.672 105 1HB HIS 13 1HB HIS 13 -14.142 -1.595 0.858 106 2HB HIS 13 2HB HIS 13 -12.770 -2.184 -0.072 107 HD1 HIS 13 HD1 HIS 13 -13.451 -5.262 0.400 108 HD2 HIS 13 HD2 HIS 13 -16.029 -2.327 -1.005 109 HE1 HIS 13 HE1 HIS 13 -15.213 -6.490 -0.910 110 HE2 HIS 13 HE2 HIS 13 -16.767 -4.693 -1.752 111 H ALA 14 H ALA 14 -13.447 -1.279 3.692 112 HA ALA 14 HA ALA 14 -11.342 0.561 3.296 113 1HB ALA 14 1HB ALA 14 -13.491 0.172 5.287 114 2HB ALA 14 2HB ALA 14 -12.093 1.108 5.815 115 3HB ALA 14 3HB ALA 14 -13.013 1.620 4.400 116 H LYS 15 H LYS 15 -11.866 -1.989 5.709 117 HA LYS 15 HA LYS 15 -9.429 -1.612 7.084 118 1HB LYS 15 1HB LYS 15 -11.518 -2.941 7.808 119 2HB LYS 15 2HB LYS 15 -10.845 -4.259 6.858 120 1HG LYS 15 1HG LYS 15 -9.343 -4.767 8.425 121 2HG LYS 15 2HG LYS 15 -8.921 -3.074 8.696 122 1HD LYS 15 1HD LYS 15 -10.044 -3.140 10.613 123 2HD LYS 15 2HD LYS 15 -11.528 -3.429 9.703 124 1HE LYS 15 1HE LYS 15 -10.718 -5.898 9.681 125 2HE LYS 15 2HE LYS 15 -9.702 -5.393 11.030 126 1HZ LYS 15 1HZ LYS 15 -11.740 -4.593 12.144 127 2HZ LYS 15 2HZ LYS 15 -12.664 -5.247 10.886 128 3HZ LYS 15 3HZ LYS 15 -11.743 -6.264 11.877 129 H GLU 16 H GLU 16 -10.257 -3.191 4.117 130 HA GLU 16 HA GLU 16 -7.928 -4.848 3.964 131 1HB GLU 16 1HB GLU 16 -10.167 -4.118 2.144 132 2HB GLU 16 2HB GLU 16 -8.694 -4.735 1.411 133 1HG GLU 16 1HG GLU 16 -10.455 -6.443 1.889 134 2HG GLU 16 2HG GLU 16 -8.866 -6.788 2.570 135 H ILE 17 H ILE 17 -8.794 -1.622 2.837 136 HA ILE 17 HA ILE 17 -6.395 -1.302 1.272 137 HB ILE 17 HB ILE 17 -8.322 -0.075 0.558 138 1HG1 ILE 17 1HG1 ILE 17 -6.215 1.721 1.774 139 2HG1 ILE 17 2HG1 ILE 17 -6.279 1.107 0.126 140 1HG2 ILE 17 1HG2 ILE 17 -8.377 1.025 3.354 141 2HG2 ILE 17 2HG2 ILE 17 -9.271 1.750 2.017 142 3HG2 ILE 17 3HG2 ILE 17 -9.622 0.097 2.516 143 1HD1 ILE 17 1HD1 ILE 17 -8.521 2.425 0.024 144 2HD1 ILE 17 2HD1 ILE 17 -7.838 3.301 1.394 145 3HD1 ILE 17 3HD1 ILE 17 -6.983 3.269 -0.147 146 H GLU 18 H GLU 18 -7.334 -0.796 4.565 147 HA GLU 18 HA GLU 18 -5.154 0.998 5.165 148 1HB GLU 18 1HB GLU 18 -7.557 0.196 6.448 149 2HB GLU 18 2HB GLU 18 -6.229 -0.229 7.520 150 1HG GLU 18 1HG GLU 18 -6.433 2.494 6.291 151 2HG GLU 18 2HG GLU 18 -7.298 2.077 7.770 152 H ARG 19 H ARG 19 -5.860 -2.427 5.450 153 HA ARG 19 HA ARG 19 -3.532 -3.047 6.995 154 1HB ARG 19 1HB ARG 19 -5.727 -4.406 6.756 155 2HB ARG 19 2HB ARG 19 -5.006 -5.024 5.276 156 1HG ARG 19 1HG ARG 19 -3.356 -6.174 6.398 157 2HG ARG 19 2HG ARG 19 -3.469 -5.147 7.830 158 1HD ARG 19 1HD ARG 19 -5.477 -6.178 8.527 159 2HD ARG 19 2HD ARG 19 -5.701 -6.967 6.966 160 HE ARG 19 HE ARG 19 -4.053 -7.866 9.151 161 1HH1 ARG 19 1HH1 ARG 19 -4.642 -8.043 5.724 162 2HH1 ARG 19 2HH1 ARG 19 -3.872 -9.584 5.540 163 1HH2 ARG 19 1HH2 ARG 19 -3.037 -9.895 8.920 164 2HH2 ARG 19 2HH2 ARG 19 -2.960 -10.637 7.358 165 H LEU 20 H LEU 20 -4.390 -3.101 3.573 166 HA LEU 20 HA LEU 20 -1.994 -4.318 2.672 167 1HB LEU 20 1HB LEU 20 -4.394 -3.538 1.528 168 2HB LEU 20 2HB LEU 20 -3.225 -2.466 0.786 169 HG LEU 20 HG LEU 20 -3.364 -4.284 -0.681 170 1HD1 LEU 20 1HD1 LEU 20 -0.996 -3.743 0.601 171 2HD1 LEU 20 2HD1 LEU 20 -1.103 -5.501 0.689 172 3HD1 LEU 20 3HD1 LEU 20 -1.180 -4.690 -0.876 173 1HD2 LEU 20 1HD2 LEU 20 -4.523 -5.691 1.174 174 2HD2 LEU 20 2HD2 LEU 20 -3.650 -6.505 -0.125 175 3HD2 LEU 20 3HD2 LEU 20 -2.898 -6.315 1.459 176 H GLN 21 H GLN 21 -3.013 -0.973 3.160 177 HA GLN 21 HA GLN 21 -0.759 0.262 1.998 178 1HB GLN 21 1HB GLN 21 -2.771 1.532 2.430 179 2HB GLN 21 2HB GLN 21 -2.647 1.219 4.156 180 1HG GLN 21 1HG GLN 21 -0.664 2.567 4.309 181 2HG GLN 21 2HG GLN 21 -0.632 2.783 2.560 182 2HE2 GLN 21 2HE2 GLN 21 -3.337 2.937 4.829 183 1HE2 GLN 21 1HE2 GLN 21 -3.769 4.572 4.479 184 H LYS 22 H LYS 22 -1.417 -0.949 5.235 185 HA LYS 22 HA LYS 22 0.813 0.145 6.541 186 1HB LYS 22 1HB LYS 22 -1.297 -1.217 7.411 187 2HB LYS 22 2HB LYS 22 -0.169 -2.562 7.316 188 1HG LYS 22 1HG LYS 22 1.008 -0.268 8.629 189 2HG LYS 22 2HG LYS 22 -0.475 -0.800 9.424 190 1HD LYS 22 1HD LYS 22 0.862 -2.276 10.462 191 2HD LYS 22 2HD LYS 22 0.769 -3.176 8.946 192 1HE LYS 22 1HE LYS 22 2.785 -1.777 8.214 193 2HE LYS 22 2HE LYS 22 2.947 -1.352 9.918 194 1HZ LYS 22 1HZ LYS 22 3.000 -3.793 10.377 195 2HZ LYS 22 2HZ LYS 22 3.114 -4.054 8.710 196 3HZ LYS 22 3HZ LYS 22 4.335 -3.207 9.520 197 H GLU 23 H GLU 23 0.374 -2.938 4.848 198 HA GLU 23 HA GLU 23 2.879 -4.050 5.390 199 1HB GLU 23 1HB GLU 23 0.822 -4.432 3.267 200 2HB GLU 23 2HB GLU 23 2.412 -5.136 3.010 201 1HG GLU 23 1HG GLU 23 2.071 -6.755 4.508 202 2HG GLU 23 2HG GLU 23 1.299 -5.664 5.658 203 H ILE 24 H ILE 24 1.838 -1.982 2.694 204 HA ILE 24 HA ILE 24 4.293 -2.010 1.323 205 HB ILE 24 HB ILE 24 3.434 -0.471 -0.123 206 1HG1 ILE 24 1HG1 ILE 24 1.613 1.257 0.781 207 2HG1 ILE 24 2HG1 ILE 24 2.458 0.964 2.299 208 1HG2 ILE 24 1HG2 ILE 24 1.700 -2.289 0.485 209 2HG2 ILE 24 2HG2 ILE 24 0.785 -0.940 1.159 210 3HG2 ILE 24 3HG2 ILE 24 1.224 -0.940 -0.547 211 1HD1 ILE 24 1HD1 ILE 24 4.392 1.392 0.265 212 2HD1 ILE 24 2HD1 ILE 24 3.189 2.681 0.185 213 3HD1 ILE 24 3HD1 ILE 24 4.048 2.371 1.693 214 H GLU 25 H GLU 25 3.104 -0.084 3.988 215 HA GLU 25 HA GLU 25 5.060 1.913 4.042 216 1HB GLU 25 1HB GLU 25 2.861 1.367 5.528 217 2HB GLU 25 2HB GLU 25 4.124 0.890 6.655 218 1HG GLU 25 1HG GLU 25 4.690 3.000 7.084 219 2HG GLU 25 2HG GLU 25 4.638 3.456 5.382 220 H ARG 26 H ARG 26 5.003 -1.318 5.490 221 HA ARG 26 HA ARG 26 7.394 -1.158 6.930 222 1HB ARG 26 1HB ARG 26 5.605 -3.013 6.933 223 2HB ARG 26 2HB ARG 26 6.468 -3.668 5.549 224 1HG ARG 26 1HG ARG 26 8.519 -3.364 7.248 225 2HG ARG 26 2HG ARG 26 7.208 -3.624 8.400 226 1HD ARG 26 1HD ARG 26 6.795 -5.759 7.656 227 2HD ARG 26 2HD ARG 26 7.436 -5.435 6.046 228 HE ARG 26 HE ARG 26 9.524 -6.025 6.790 229 1HH1 ARG 26 1HH1 ARG 26 7.414 -5.556 9.519 230 2HH1 ARG 26 2HH1 ARG 26 8.544 -6.189 10.668 231 1HH2 ARG 26 1HH2 ARG 26 11.021 -6.862 8.294 232 2HH2 ARG 26 2HH2 ARG 26 10.596 -6.932 9.972 233 H HIS 27 H HIS 27 6.793 -2.342 3.626 234 HA HIS 27 HA HIS 27 9.483 -2.887 3.001 235 1HB HIS 27 1HB HIS 27 6.946 -2.783 1.592 236 2HB HIS 27 2HB HIS 27 8.259 -2.160 0.599 237 HD1 HIS 27 HD1 HIS 27 10.453 -3.888 0.597 238 HD2 HIS 27 HD2 HIS 27 6.698 -5.466 1.422 239 HE1 HIS 27 HE1 HIS 27 10.656 -6.358 0.176 240 HE2 HIS 27 HE2 HIS 27 8.371 -7.295 0.682 241 H LYS 28 H LYS 28 7.700 0.061 3.189 242 HA LYS 28 HA LYS 28 9.480 1.606 1.545 243 1HB LYS 28 1HB LYS 28 7.117 2.234 1.807 244 2HB LYS 28 2HB LYS 28 7.371 2.484 3.528 245 1HG LYS 28 1HG LYS 28 9.047 4.248 2.932 246 2HG LYS 28 2HG LYS 28 8.522 4.080 1.256 247 1HD LYS 28 1HD LYS 28 6.954 5.599 1.721 248 2HD LYS 28 2HD LYS 28 6.158 4.347 2.678 249 1HE LYS 28 1HE LYS 28 7.602 5.080 4.613 250 2HE LYS 28 2HE LYS 28 8.079 6.462 3.626 251 1HZ LYS 28 1HZ LYS 28 5.226 5.882 4.077 252 2HZ LYS 28 2HZ LYS 28 6.119 6.700 5.258 253 3HZ LYS 28 3HZ LYS 28 5.969 7.356 3.706 254 H GLN 29 H GLN 29 9.251 0.722 4.897 255 HA GLN 29 HA GLN 29 10.991 2.764 5.881 256 1HB GLN 29 1HB GLN 29 9.258 1.152 7.110 257 2HB GLN 29 2HB GLN 29 10.705 0.178 7.331 258 1HG GLN 29 1HG GLN 29 11.510 1.533 8.902 259 2HG GLN 29 2HG GLN 29 11.108 2.984 7.987 260 2HE2 GLN 29 2HE2 GLN 29 8.980 0.417 9.139 261 1HE2 GLN 29 1HE2 GLN 29 8.019 1.424 10.160 262 H SER 30 H SER 30 11.383 -0.558 4.791 263 HA SER 30 HA SER 30 14.121 -0.779 5.549 264 1HB SER 30 1HB SER 30 14.126 -2.846 4.333 265 2HB SER 30 2HB SER 30 12.557 -2.714 5.126 266 HG SER 30 HG SER 30 12.470 -3.362 2.884 267 H ILE 31 H ILE 31 12.463 0.010 2.509 268 HA ILE 31 HA ILE 31 14.894 0.280 1.028 269 HB ILE 31 HB ILE 31 12.647 -0.279 0.064 270 1HG1 ILE 31 1HG1 ILE 31 14.823 1.032 -1.028 271 2HG1 ILE 31 2HG1 ILE 31 13.540 0.239 -1.924 272 1HG2 ILE 31 1HG2 ILE 31 11.445 1.523 1.329 273 2HG2 ILE 31 2HG2 ILE 31 12.108 2.676 0.169 274 3HG2 ILE 31 3HG2 ILE 31 11.032 1.390 -0.380 275 1HD1 ILE 31 1HD1 ILE 31 13.449 3.141 -1.155 276 2HD1 ILE 31 2HD1 ILE 31 14.137 2.553 -2.669 277 3HD1 ILE 31 3HD1 ILE 31 12.429 2.289 -2.315 278 H LYS 32 H LYS 32 13.029 2.364 3.058 279 HA LYS 32 HA LYS 32 14.175 4.804 2.012 280 1HB LYS 32 1HB LYS 32 11.886 4.735 2.983 281 2HB LYS 32 2HB LYS 32 12.592 4.377 4.553 282 1HG LYS 32 1HG LYS 32 13.899 6.554 4.255 283 2HG LYS 32 2HG LYS 32 12.763 6.906 2.955 284 1HD LYS 32 1HD LYS 32 12.201 6.547 5.887 285 2HD LYS 32 2HD LYS 32 11.885 7.955 4.876 286 1HE LYS 32 1HE LYS 32 10.317 6.367 3.567 287 2HE LYS 32 2HE LYS 32 10.411 5.350 5.004 288 1HZ LYS 32 1HZ LYS 32 9.882 7.757 6.065 289 2HZ LYS 32 2HZ LYS 32 9.030 7.856 4.608 290 3HZ LYS 32 3HZ LYS 32 8.704 6.600 5.693 291 H LYS 33 H LYS 33 14.868 2.474 4.475 292 HA LYS 33 HA LYS 33 16.633 4.138 5.999 293 1HB LYS 33 1HB LYS 33 15.428 1.648 6.358 294 2HB LYS 33 2HB LYS 33 17.144 1.286 6.232 295 1HG LYS 33 1HG LYS 33 17.007 1.641 8.467 296 2HG LYS 33 2HG LYS 33 17.324 3.295 7.942 297 1HD LYS 33 1HD LYS 33 15.380 3.978 8.780 298 2HD LYS 33 2HD LYS 33 14.508 2.771 7.830 299 1HE LYS 33 1HE LYS 33 15.505 1.191 9.754 300 2HE LYS 33 2HE LYS 33 15.385 2.704 10.653 301 1HZ LYS 33 1HZ LYS 33 13.009 2.691 9.529 302 2HZ LYS 33 2HZ LYS 33 13.268 1.019 9.561 303 3HZ LYS 33 3HZ LYS 33 13.309 1.907 11.000 304 H LEU 34 H LEU 34 17.002 1.704 3.460 305 HA LEU 34 HA LEU 34 19.860 1.776 3.484 306 1HB LEU 34 1HB LEU 34 17.790 0.632 1.646 307 2HB LEU 34 2HB LEU 34 19.468 0.694 1.143 308 HG LEU 34 HG LEU 34 18.687 -0.591 3.742 309 1HD1 LEU 34 1HD1 LEU 34 18.348 -1.630 0.981 310 2HD1 LEU 34 2HD1 LEU 34 18.957 -2.731 2.216 311 3HD1 LEU 34 3HD1 LEU 34 17.397 -1.938 2.434 312 1HD2 LEU 34 1HD2 LEU 34 21.053 -0.671 1.901 313 2HD2 LEU 34 2HD2 LEU 34 20.999 -0.287 3.621 314 3HD2 LEU 34 3HD2 LEU 34 20.760 -1.948 3.080 315 H LYS 35 H LYS 35 17.332 3.408 1.661 316 HA LYS 35 HA LYS 35 19.149 4.666 -0.171 317 1HB LYS 35 1HB LYS 35 16.860 4.247 -0.856 318 2HB LYS 35 2HB LYS 35 16.248 5.221 0.474 319 1HG LYS 35 1HG LYS 35 17.986 6.898 -0.922 320 2HG LYS 35 2HG LYS 35 17.076 6.027 -2.158 321 1HD LYS 35 1HD LYS 35 15.872 7.524 0.169 322 2HD LYS 35 2HD LYS 35 15.968 8.119 -1.489 323 1HE LYS 35 1HE LYS 35 14.807 5.598 -1.701 324 2HE LYS 35 2HE LYS 35 14.055 6.321 -0.279 325 1HZ LYS 35 1HZ LYS 35 13.718 8.344 -1.769 326 2HZ LYS 35 2HZ LYS 35 14.041 7.304 -3.064 327 3HZ LYS 35 3HZ LYS 35 12.727 7.000 -2.044 328 H GLN 36 H GLN 36 17.865 5.384 2.964 329 HA GLN 36 HA GLN 36 18.479 8.189 2.889 330 1HB GLN 36 1HB GLN 36 17.541 6.267 4.981 331 2HB GLN 36 2HB GLN 36 18.198 7.818 5.482 332 1HG GLN 36 1HG GLN 36 16.217 8.005 3.344 333 2HG GLN 36 2HG GLN 36 15.595 7.331 4.850 334 2HE2 GLN 36 2HE2 GLN 36 14.293 9.286 4.866 335 1HE2 GLN 36 1HE2 GLN 36 14.964 10.738 5.517 336 H SER 37 H SER 37 20.102 5.254 3.852 337 HA SER 37 HA SER 37 22.179 6.478 5.358 338 1HB SER 37 1HB SER 37 22.047 3.795 3.961 339 2HB SER 37 2HB SER 37 23.351 4.289 5.040 340 HG SER 37 HG SER 37 21.822 4.472 6.707 341 H GLU 38 H GLU 38 21.676 5.842 1.965 342 HA GLU 38 HA GLU 38 24.335 6.136 1.079 343 1HB GLU 38 1HB GLU 38 22.540 5.181 -0.311 344 2HB GLU 38 2HB GLU 38 21.766 6.758 -0.391 345 1HG GLU 38 1HG GLU 38 24.587 6.548 -1.282 346 2HG GLU 38 2HG GLU 38 23.334 5.863 -2.316 347 H ASP 39 H ASP 39 21.807 8.449 1.814 348 HA ASP 39 HA ASP 39 23.775 10.594 1.710 349 1HB ASP 39 1HB ASP 39 22.173 12.058 0.443 350 2HB ASP 39 2HB ASP 39 22.865 10.745 -0.504 351 H ASP 40 H ASP 40 22.917 9.598 4.010 352 HA ASP 40 HA ASP 40 20.546 10.409 5.141 353 1HB ASP 40 1HB ASP 40 22.316 8.996 6.229 354 2HB ASP 40 2HB ASP 40 23.219 10.472 6.553 355 H ASP 41 H ASP 41 19.742 12.250 6.049 356 HA ASP 41 HA ASP 41 19.396 14.494 6.251 357 1HB ASP 41 1HB ASP 41 21.382 13.872 7.902 358 2HB ASP 41 2HB ASP 41 22.290 14.933 6.829 359 H1 ALA 1 H1 ALA 1 28.967 11.174 -2.206 360 H2 ALA 1 H2 ALA 1 28.098 11.861 -0.895 361 H3 ALA 1 H3 ALA 1 29.711 11.325 -0.668 362 HA ALA 1 HA ALA 1 29.166 9.208 -0.521 363 1HB ALA 1 1HB ALA 1 26.379 10.093 0.054 364 2HB ALA 1 2HB ALA 1 27.702 10.729 1.031 365 3HB ALA 1 3HB ALA 1 27.421 8.990 0.954 366 H LEU 2 H LEU 2 28.415 7.387 -1.507 367 HA LEU 2 HA LEU 2 26.135 7.066 -3.027 368 1HB LEU 2 1HB LEU 2 27.280 7.067 -5.344 369 2HB LEU 2 2HB LEU 2 26.726 8.586 -4.665 370 HG LEU 2 HG LEU 2 29.408 8.233 -3.822 371 1HD1 LEU 2 1HD1 LEU 2 29.198 6.669 -5.968 372 2HD1 LEU 2 2HD1 LEU 2 29.442 8.215 -6.781 373 3HD1 LEU 2 3HD1 LEU 2 30.638 7.627 -5.625 374 1HD2 LEU 2 1HD2 LEU 2 27.810 10.106 -5.451 375 2HD2 LEU 2 2HD2 LEU 2 28.868 10.414 -4.074 376 3HD2 LEU 2 3HD2 LEU 2 29.558 10.162 -5.678 377 H LYS 3 H LYS 3 25.925 4.949 -2.791 378 HA LYS 3 HA LYS 3 28.284 3.244 -3.252 379 1HB LYS 3 1HB LYS 3 25.977 2.794 -1.351 380 2HB LYS 3 2HB LYS 3 27.257 1.631 -1.668 381 1HG LYS 3 1HG LYS 3 28.236 2.542 0.120 382 2HG LYS 3 2HG LYS 3 28.694 3.836 -0.991 383 1HD LYS 3 1HD LYS 3 26.020 4.244 0.004 384 2HD LYS 3 2HD LYS 3 27.160 4.060 1.338 385 1HE LYS 3 1HE LYS 3 28.599 5.715 -0.137 386 2HE LYS 3 2HE LYS 3 27.012 6.155 -0.768 387 1HZ LYS 3 1HZ LYS 3 27.146 5.995 2.110 388 2HZ LYS 3 2HZ LYS 3 28.127 7.200 1.444 389 3HZ LYS 3 3HZ LYS 3 26.465 7.188 1.123 390 H LYS 4 H LYS 4 27.829 1.087 -4.086 391 HA LYS 4 HA LYS 4 25.636 1.171 -6.021 392 1HB LYS 4 1HB LYS 4 27.804 -0.911 -5.937 393 2HB LYS 4 2HB LYS 4 26.838 -0.387 -7.311 394 1HG LYS 4 1HG LYS 4 29.042 1.141 -5.947 395 2HG LYS 4 2HG LYS 4 29.059 0.451 -7.572 396 1HD LYS 4 1HD LYS 4 27.139 2.593 -6.669 397 2HD LYS 4 2HD LYS 4 28.665 2.921 -7.492 398 1HE LYS 4 1HE LYS 4 27.848 2.324 -9.494 399 2HE LYS 4 2HE LYS 4 26.997 0.928 -8.833 400 1HZ LYS 4 1HZ LYS 4 25.779 3.348 -7.988 401 2HZ LYS 4 2HZ LYS 4 25.885 3.303 -9.675 402 3HZ LYS 4 3HZ LYS 4 25.103 2.054 -8.843 403 H HIS 5 H HIS 5 27.097 -1.107 -3.703 404 HA HIS 5 HA HIS 5 25.282 -3.173 -3.901 405 1HB HIS 5 1HB HIS 5 25.821 -3.454 -1.350 406 2HB HIS 5 2HB HIS 5 27.092 -3.677 -2.547 407 HD1 HIS 5 HD1 HIS 5 29.175 -2.427 -2.090 408 HD2 HIS 5 HD2 HIS 5 25.888 -0.673 -0.253 409 HE1 HIS 5 HE1 HIS 5 30.099 -0.513 -0.745 410 HE2 HIS 5 HE2 HIS 5 28.091 0.535 0.358 411 H HIS 6 H HIS 6 25.047 -0.200 -2.010 412 HA HIS 6 HA HIS 6 22.679 -0.845 -0.631 413 1HB HIS 6 1HB HIS 6 24.374 1.465 -0.957 414 2HB HIS 6 2HB HIS 6 22.684 1.945 -1.068 415 HD1 HIS 6 HD1 HIS 6 23.740 -0.869 1.169 416 HD2 HIS 6 HD2 HIS 6 22.696 3.143 1.452 417 HE1 HIS 6 HE1 HIS 6 23.437 -0.425 3.626 418 HE2 HIS 6 HE2 HIS 6 22.807 2.010 3.775 419 H GLU 7 H GLU 7 23.136 1.147 -3.557 420 HA GLU 7 HA GLU 7 20.480 1.621 -4.141 421 1HB GLU 7 1HB GLU 7 22.937 2.052 -5.403 422 2HB GLU 7 2HB GLU 7 22.001 1.110 -6.554 423 1HG GLU 7 1HG GLU 7 20.143 2.780 -6.232 424 2HG GLU 7 2HG GLU 7 21.302 3.767 -5.344 425 H ASN 8 H ASN 8 22.291 -1.312 -4.393 426 HA ASN 8 HA ASN 8 20.662 -2.638 -6.306 427 1HB ASN 8 1HB ASN 8 22.957 -3.265 -4.677 428 2HB ASN 8 2HB ASN 8 21.786 -4.577 -4.594 429 2HD2 ASN 8 2HD2 ASN 8 24.139 -2.994 -6.477 430 1HD2 ASN 8 1HD2 ASN 8 24.004 -3.977 -7.892 431 H GLU 9 H GLU 9 20.904 -3.119 -2.765 432 HA GLU 9 HA GLU 9 18.477 -4.613 -2.640 433 1HB GLU 9 1HB GLU 9 20.048 -3.215 -0.468 434 2HB GLU 9 2HB GLU 9 18.703 -4.309 -0.178 435 1HG GLU 9 1HG GLU 9 20.011 -6.071 -1.402 436 2HG GLU 9 2HG GLU 9 21.382 -4.960 -1.369 437 H ILE 10 H ILE 10 19.071 -1.336 -3.039 438 HA ILE 10 HA ILE 10 16.721 -0.374 -1.659 439 HB ILE 10 HB ILE 10 18.861 0.967 -3.313 440 1HG1 ILE 10 1HG1 ILE 10 18.205 1.501 -0.435 441 2HG1 ILE 10 2HG1 ILE 10 19.211 0.127 -0.885 442 1HG2 ILE 10 1HG2 ILE 10 16.664 2.095 -3.620 443 2HG2 ILE 10 2HG2 ILE 10 16.626 2.380 -1.879 444 3HG2 ILE 10 3HG2 ILE 10 17.902 3.097 -2.863 445 1HD1 ILE 10 1HD1 ILE 10 20.499 2.010 -2.234 446 2HD1 ILE 10 2HD1 ILE 10 19.797 3.021 -0.974 447 3HD1 ILE 10 3HD1 ILE 10 20.832 1.663 -0.537 448 H SER 11 H SER 11 17.780 -1.260 -4.849 449 HA SER 11 HA SER 11 15.545 -0.058 -6.210 450 1HB SER 11 1HB SER 11 18.034 -1.253 -6.964 451 2HB SER 11 2HB SER 11 16.734 -2.097 -7.806 452 HG SER 11 HG SER 11 17.623 0.510 -8.067 453 H HIS 12 H HIS 12 16.372 -3.120 -4.780 454 HA HIS 12 HA HIS 12 14.197 -4.560 -5.968 455 1HB HIS 12 1HB HIS 12 15.663 -6.173 -5.393 456 2HB HIS 12 2HB HIS 12 16.474 -5.136 -4.232 457 HD1 HIS 12 HD1 HIS 12 13.698 -7.664 -4.492 458 HD2 HIS 12 HD2 HIS 12 15.807 -5.569 -1.594 459 HE1 HIS 12 HE1 HIS 12 13.062 -8.727 -2.303 460 HE2 HIS 12 HE2 HIS 12 14.353 -7.446 -0.559 461 H HIS 13 H HIS 13 14.837 -3.157 -2.736 462 HA HIS 13 HA HIS 13 12.302 -3.855 -1.673 463 1HB HIS 13 1HB HIS 13 14.142 -1.591 -0.863 464 2HB HIS 13 2HB HIS 13 12.771 -2.179 0.069 465 HD1 HIS 13 HD1 HIS 13 13.454 -5.259 -0.405 466 HD2 HIS 13 HD2 HIS 13 16.027 -2.320 1.005 467 HE1 HIS 13 HE1 HIS 13 15.217 -6.485 0.908 468 HE2 HIS 13 HE2 HIS 13 16.769 -4.686 1.750 469 H ALA 14 H ALA 14 13.447 -1.275 -3.692 470 HA ALA 14 HA ALA 14 11.340 0.563 -3.297 471 1HB ALA 14 1HB ALA 14 13.488 0.174 -5.289 472 2HB ALA 14 2HB ALA 14 13.009 1.623 -4.403 473 3HB ALA 14 3HB ALA 14 12.089 1.108 -5.818 474 H LYS 15 H LYS 15 11.865 -1.985 -5.713 475 HA LYS 15 HA LYS 15 9.427 -1.611 -7.085 476 1HB LYS 15 1HB LYS 15 11.516 -2.938 -7.811 477 2HB LYS 15 2HB LYS 15 10.845 -4.257 -6.862 478 1HG LYS 15 1HG LYS 15 9.341 -4.764 -8.427 479 2HG LYS 15 2HG LYS 15 8.919 -3.072 -8.699 480 1HD LYS 15 1HD LYS 15 10.042 -3.138 -10.616 481 2HD LYS 15 2HD LYS 15 11.526 -3.428 -9.706 482 1HE LYS 15 1HE LYS 15 10.717 -5.896 -9.684 483 2HE LYS 15 2HE LYS 15 9.699 -5.392 -11.032 484 1HZ LYS 15 1HZ LYS 15 11.737 -4.592 -12.146 485 2HZ LYS 15 2HZ LYS 15 12.661 -5.246 -10.889 486 3HZ LYS 15 3HZ LYS 15 11.740 -6.262 -11.880 487 H GLU 16 H GLU 16 10.257 -3.190 -4.119 488 HA GLU 16 HA GLU 16 7.927 -4.847 -3.967 489 1HB GLU 16 1HB GLU 16 10.166 -4.117 -2.146 490 2HB GLU 16 2HB GLU 16 8.692 -4.737 -1.414 491 1HG GLU 16 1HG GLU 16 10.455 -6.443 -1.894 492 2HG GLU 16 2HG GLU 16 8.865 -6.788 -2.572 493 H ILE 17 H ILE 17 8.792 -1.622 -2.835 494 HA ILE 17 HA ILE 17 6.393 -1.305 -1.271 495 HB ILE 17 HB ILE 17 8.320 -0.076 -0.557 496 1HG1 ILE 17 1HG1 ILE 17 6.211 1.719 -1.771 497 2HG1 ILE 17 2HG1 ILE 17 6.278 1.105 -0.123 498 1HG2 ILE 17 1HG2 ILE 17 8.375 1.023 -3.352 499 2HG2 ILE 17 2HG2 ILE 17 9.268 1.750 -2.015 500 3HG2 ILE 17 3HG2 ILE 17 9.621 0.097 -2.513 501 1HD1 ILE 17 1HD1 ILE 17 8.519 2.425 -0.023 502 2HD1 ILE 17 2HD1 ILE 17 7.835 3.300 -1.394 503 3HD1 ILE 17 3HD1 ILE 17 6.980 3.268 0.148 504 H GLU 18 H GLU 18 7.333 -0.793 -4.564 505 HA GLU 18 HA GLU 18 5.153 1.000 -5.163 506 1HB GLU 18 1HB GLU 18 7.556 0.199 -6.445 507 2HB GLU 18 2HB GLU 18 6.229 -0.227 -7.518 508 1HG GLU 18 1HG GLU 18 6.430 2.496 -6.290 509 2HG GLU 18 2HG GLU 18 7.297 2.080 -7.768 510 H ARG 19 H ARG 19 5.859 -2.426 -5.452 511 HA ARG 19 HA ARG 19 3.531 -3.045 -6.996 512 1HB ARG 19 1HB ARG 19 5.725 -4.404 -6.758 513 2HB ARG 19 2HB ARG 19 5.006 -5.022 -5.277 514 1HG ARG 19 1HG ARG 19 3.354 -6.172 -6.399 515 2HG ARG 19 2HG ARG 19 3.468 -5.146 -7.830 516 1HD ARG 19 1HD ARG 19 5.476 -6.176 -8.528 517 2HD ARG 19 2HD ARG 19 5.700 -6.965 -6.968 518 HE ARG 19 HE ARG 19 4.051 -7.864 -9.152 519 1HH1 ARG 19 1HH1 ARG 19 4.640 -8.042 -5.724 520 2HH1 ARG 19 2HH1 ARG 19 3.872 -9.584 -5.542 521 1HH2 ARG 19 1HH2 ARG 19 3.038 -9.895 -8.923 522 2HH2 ARG 19 2HH2 ARG 19 2.962 -10.637 -7.360 523 H LEU 20 H LEU 20 4.389 -3.100 -3.575 524 HA LEU 20 HA LEU 20 1.993 -4.316 -2.673 525 1HB LEU 20 1HB LEU 20 4.393 -3.535 -1.530 526 2HB LEU 20 2HB LEU 20 3.223 -2.466 -0.786 527 HG LEU 20 HG LEU 20 3.365 -4.285 0.678 528 1HD1 LEU 20 1HD1 LEU 20 0.995 -3.744 -0.602 529 2HD1 LEU 20 2HD1 LEU 20 1.104 -5.502 -0.688 530 3HD1 LEU 20 3HD1 LEU 20 1.183 -4.690 0.875 531 1HD2 LEU 20 1HD2 LEU 20 4.524 -5.690 -1.179 532 2HD2 LEU 20 2HD2 LEU 20 3.652 -6.505 0.120 533 3HD2 LEU 20 3HD2 LEU 20 2.898 -6.314 -1.463 534 H GLN 21 H GLN 21 3.010 -0.973 -3.165 535 HA GLN 21 HA GLN 21 0.756 0.261 -2.000 536 1HB GLN 21 1HB GLN 21 2.767 1.532 -2.429 537 2HB GLN 21 2HB GLN 21 2.645 1.220 -4.156 538 1HG GLN 21 1HG GLN 21 0.660 2.567 -4.309 539 2HG GLN 21 2HG GLN 21 0.629 2.783 -2.560 540 2HE2 GLN 21 2HE2 GLN 21 3.334 2.937 -4.830 541 1HE2 GLN 21 1HE2 GLN 21 3.765 4.573 -4.481 542 H LYS 22 H LYS 22 1.415 -0.951 -5.237 543 HA LYS 22 HA LYS 22 -0.813 0.145 -6.545 544 1HB LYS 22 1HB LYS 22 1.296 -1.218 -7.413 545 2HB LYS 22 2HB LYS 22 0.167 -2.563 -7.318 546 1HG LYS 22 1HG LYS 22 -1.008 -0.269 -8.632 547 2HG LYS 22 2HG LYS 22 0.475 -0.801 -9.427 548 1HD LYS 22 1HD LYS 22 -0.863 -2.276 -10.465 549 2HD LYS 22 2HD LYS 22 -0.769 -3.176 -8.949 550 1HE LYS 22 1HE LYS 22 -2.786 -1.777 -8.217 551 2HE LYS 22 2HE LYS 22 -2.949 -1.352 -9.920 552 1HZ LYS 22 1HZ LYS 22 -3.000 -3.794 -10.378 553 2HZ LYS 22 2HZ LYS 22 -3.114 -4.054 -8.710 554 3HZ LYS 22 3HZ LYS 22 -4.335 -3.208 -9.521 555 H GLU 23 H GLU 23 -0.377 -2.940 -4.851 556 HA GLU 23 HA GLU 23 -2.883 -4.048 -5.394 557 1HB GLU 23 1HB GLU 23 -0.828 -4.432 -3.268 558 2HB GLU 23 2HB GLU 23 -2.419 -5.136 -3.015 559 1HG GLU 23 1HG GLU 23 -2.074 -6.755 -4.512 560 2HG GLU 23 2HG GLU 23 -1.303 -5.663 -5.661 561 H ILE 24 H ILE 24 -1.840 -1.986 -2.693 562 HA ILE 24 HA ILE 24 -4.293 -2.011 -1.323 563 HB ILE 24 HB ILE 24 -3.435 -0.471 0.122 564 1HG1 ILE 24 1HG1 ILE 24 -1.614 1.256 -0.782 565 2HG1 ILE 24 2HG1 ILE 24 -2.458 0.964 -2.300 566 1HG2 ILE 24 1HG2 ILE 24 -1.700 -2.290 -0.489 567 2HG2 ILE 24 2HG2 ILE 24 -0.786 -0.939 -1.160 568 3HG2 ILE 24 3HG2 ILE 24 -1.226 -0.943 0.546 569 1HD1 ILE 24 1HD1 ILE 24 -4.392 1.393 -0.264 570 2HD1 ILE 24 2HD1 ILE 24 -3.189 2.682 -0.189 571 3HD1 ILE 24 3HD1 ILE 24 -4.051 2.368 -1.695 572 H GLU 25 H GLU 25 -3.107 -0.076 -3.985 573 HA GLU 25 HA GLU 25 -5.065 1.916 -4.036 574 1HB GLU 25 1HB GLU 25 -2.869 1.369 -5.529 575 2HB GLU 25 2HB GLU 25 -4.136 0.897 -6.653 576 1HG GLU 25 1HG GLU 25 -4.700 3.008 -7.077 577 2HG GLU 25 2HG GLU 25 -4.643 3.461 -5.374 578 H ARG 26 H ARG 26 -5.006 -1.308 -5.499 579 HA ARG 26 HA ARG 26 -7.400 -1.153 -6.929 580 1HB ARG 26 1HB ARG 26 -5.609 -3.007 -6.931 581 2HB ARG 26 2HB ARG 26 -6.472 -3.662 -5.547 582 1HG ARG 26 1HG ARG 26 -8.523 -3.361 -7.244 583 2HG ARG 26 2HG ARG 26 -7.214 -3.618 -8.399 584 1HD ARG 26 1HD ARG 26 -6.796 -5.753 -7.655 585 2HD ARG 26 2HD ARG 26 -7.436 -5.431 -6.045 586 HE ARG 26 HE ARG 26 -9.524 -6.023 -6.787 587 1HH1 ARG 26 1HH1 ARG 26 -7.414 -5.555 -9.518 588 2HH1 ARG 26 2HH1 ARG 26 -8.545 -6.189 -10.666 589 1HH2 ARG 26 1HH2 ARG 26 -11.021 -6.861 -8.291 590 2HH2 ARG 26 2HH2 ARG 26 -10.596 -6.932 -9.969 591 H HIS 27 H HIS 27 -6.794 -2.329 -3.623 592 HA HIS 27 HA HIS 27 -9.486 -2.875 -2.996 593 1HB HIS 27 1HB HIS 27 -6.946 -2.772 -1.588 594 2HB HIS 27 2HB HIS 27 -8.260 -2.151 -0.594 595 HD1 HIS 27 HD1 HIS 27 -10.453 -3.882 -0.593 596 HD2 HIS 27 HD2 HIS 27 -6.696 -5.454 -1.423 597 HE1 HIS 27 HE1 HIS 27 -10.651 -6.354 -0.175 598 HE2 HIS 27 HE2 HIS 27 -8.367 -7.287 -0.684 599 H LYS 28 H LYS 28 -7.704 0.074 -3.190 600 HA LYS 28 HA LYS 28 -9.483 1.620 -1.544 601 1HB LYS 28 1HB LYS 28 -7.119 2.245 -1.807 602 2HB LYS 28 2HB LYS 28 -7.376 2.498 -3.528 603 1HG LYS 28 1HG LYS 28 -9.052 4.260 -2.925 604 2HG LYS 28 2HG LYS 28 -8.519 4.093 -1.251 605 1HD LYS 28 1HD LYS 28 -6.954 5.611 -1.724 606 2HD LYS 28 2HD LYS 28 -6.162 4.359 -2.684 607 1HE LYS 28 1HE LYS 28 -7.614 5.092 -4.613 608 2HE LYS 28 2HE LYS 28 -8.084 6.476 -3.626 609 1HZ LYS 28 1HZ LYS 28 -5.234 5.891 -4.087 610 2HZ LYS 28 2HZ LYS 28 -6.131 6.707 -5.267 611 3HZ LYS 28 3HZ LYS 28 -5.974 7.366 -3.717 612 H GLN 29 H GLN 29 -9.265 0.723 -4.887 613 HA GLN 29 HA GLN 29 -11.003 2.767 -5.879 614 1HB GLN 29 1HB GLN 29 -9.264 1.155 -7.102 615 2HB GLN 29 2HB GLN 29 -10.710 0.180 -7.325 616 1HG GLN 29 1HG GLN 29 -11.516 1.534 -8.897 617 2HG GLN 29 2HG GLN 29 -11.112 2.985 -7.983 618 2HE2 GLN 29 2HE2 GLN 29 -8.987 0.413 -9.133 619 1HE2 GLN 29 1HE2 GLN 29 -8.023 1.419 -10.154 620 H SER 30 H SER 30 -11.386 -0.556 -4.781 621 HA SER 30 HA SER 30 -14.124 -0.785 -5.541 622 1HB SER 30 1HB SER 30 -14.121 -2.853 -4.326 623 2HB SER 30 2HB SER 30 -12.551 -2.716 -5.119 624 HG SER 30 HG SER 30 -12.467 -3.364 -2.876 625 H ILE 31 H ILE 31 -12.465 0.010 -2.504 626 HA ILE 31 HA ILE 31 -14.898 0.280 -1.023 627 HB ILE 31 HB ILE 31 -12.655 -0.284 -0.054 628 1HG1 ILE 31 1HG1 ILE 31 -14.827 1.032 1.033 629 2HG1 ILE 31 2HG1 ILE 31 -13.546 0.240 1.932 630 1HG2 ILE 31 1HG2 ILE 31 -11.446 1.514 -1.321 631 2HG2 ILE 31 2HG2 ILE 31 -12.106 2.669 -0.163 632 3HG2 ILE 31 3HG2 ILE 31 -11.034 1.381 0.389 633 1HD1 ILE 31 1HD1 ILE 31 -13.452 3.141 1.158 634 2HD1 ILE 31 2HD1 ILE 31 -14.139 2.556 2.674 635 3HD1 ILE 31 3HD1 ILE 31 -12.432 2.290 2.318 636 H LYS 32 H LYS 32 -13.019 2.352 -3.046 637 HA LYS 32 HA LYS 32 -14.143 4.805 -2.014 638 1HB LYS 32 1HB LYS 32 -11.930 4.960 -2.898 639 2HB LYS 32 2HB LYS 32 -12.400 4.167 -4.395 640 1HG LYS 32 1HG LYS 32 -13.355 6.055 -5.263 641 2HG LYS 32 2HG LYS 32 -13.731 6.725 -3.677 642 1HD LYS 32 1HD LYS 32 -11.901 7.885 -5.005 643 2HD LYS 32 2HD LYS 32 -11.516 7.452 -3.341 644 1HE LYS 32 1HE LYS 32 -10.069 5.771 -3.975 645 2HE LYS 32 2HE LYS 32 -10.846 5.550 -5.543 646 1HZ LYS 32 1HZ LYS 32 -9.936 7.744 -6.187 647 2HZ LYS 32 2HZ LYS 32 -9.080 7.793 -4.728 648 3HZ LYS 32 3HZ LYS 32 -8.739 6.591 -5.868 649 H LYS 33 H LYS 33 -14.854 2.471 -4.475 650 HA LYS 33 HA LYS 33 -16.622 4.136 -5.993 651 1HB LYS 33 1HB LYS 33 -15.425 1.643 -6.351 652 2HB LYS 33 2HB LYS 33 -17.142 1.286 -6.222 653 1HG LYS 33 1HG LYS 33 -17.002 1.637 -8.459 654 2HG LYS 33 2HG LYS 33 -17.319 3.292 -7.935 655 1HD LYS 33 1HD LYS 33 -15.375 3.975 -8.771 656 2HD LYS 33 2HD LYS 33 -14.503 2.767 -7.824 657 1HE LYS 33 1HE LYS 33 -15.507 1.192 -9.751 658 2HE LYS 33 2HE LYS 33 -15.377 2.705 -10.647 659 1HZ LYS 33 1HZ LYS 33 -13.003 2.671 -9.511 660 2HZ LYS 33 2HZ LYS 33 -13.273 1.002 -9.563 661 3HZ LYS 33 3HZ LYS 33 -13.304 1.909 -10.991 662 H LEU 34 H LEU 34 -17.001 1.694 -3.460 663 HA LEU 34 HA LEU 34 -19.856 1.777 -3.483 664 1HB LEU 34 1HB LEU 34 -17.792 0.631 -1.639 665 2HB LEU 34 2HB LEU 34 -19.473 0.693 -1.143 666 HG LEU 34 HG LEU 34 -18.683 -0.591 -3.739 667 1HD1 LEU 34 1HD1 LEU 34 -18.343 -1.629 -0.978 668 2HD1 LEU 34 2HD1 LEU 34 -18.952 -2.732 -2.213 669 3HD1 LEU 34 3HD1 LEU 34 -17.392 -1.937 -2.431 670 1HD2 LEU 34 1HD2 LEU 34 -21.051 -0.678 -1.901 671 2HD2 LEU 34 2HD2 LEU 34 -20.995 -0.291 -3.621 672 3HD2 LEU 34 3HD2 LEU 34 -20.753 -1.953 -3.082 673 H LYS 35 H LYS 35 -17.328 3.408 -1.660 674 HA LYS 35 HA LYS 35 -19.142 4.667 0.173 675 1HB LYS 35 1HB LYS 35 -16.852 4.251 0.855 676 2HB LYS 35 2HB LYS 35 -16.244 5.223 -0.478 677 1HG LYS 35 1HG LYS 35 -17.977 6.905 0.914 678 2HG LYS 35 2HG LYS 35 -17.074 6.033 2.154 679 1HD LYS 35 1HD LYS 35 -15.859 7.522 -0.173 680 2HD LYS 35 2HD LYS 35 -15.959 8.122 1.483 681 1HE LYS 35 1HE LYS 35 -14.804 5.599 1.705 682 2HE LYS 35 2HE LYS 35 -14.046 6.316 0.283 683 1HZ LYS 35 1HZ LYS 35 -13.713 8.342 1.774 684 2HZ LYS 35 2HZ LYS 35 -14.036 7.302 3.067 685 3HZ LYS 35 3HZ LYS 35 -12.722 6.998 2.048 686 H GLN 36 H GLN 36 -17.855 5.389 -2.962 687 HA GLN 36 HA GLN 36 -18.478 8.192 -2.886 688 1HB GLN 36 1HB GLN 36 -17.533 6.272 -4.976 689 2HB GLN 36 2HB GLN 36 -18.197 7.819 -5.480 690 1HG GLN 36 1HG GLN 36 -16.217 8.019 -3.342 691 2HG GLN 36 2HG GLN 36 -15.591 7.346 -4.846 692 2HE2 GLN 36 2HE2 GLN 36 -14.299 9.305 -4.872 693 1HE2 GLN 36 1HE2 GLN 36 -14.978 10.754 -5.521 694 H SER 37 H SER 37 -20.100 5.256 -3.841 695 HA SER 37 HA SER 37 -22.177 6.478 -5.349 696 1HB SER 37 1HB SER 37 -22.042 3.794 -3.957 697 2HB SER 37 2HB SER 37 -23.347 4.289 -5.034 698 HG SER 37 HG SER 37 -21.822 4.472 -6.703 699 H GLU 38 H GLU 38 -21.670 5.846 -1.958 700 HA GLU 38 HA GLU 38 -24.330 6.135 -1.071 701 1HB GLU 38 1HB GLU 38 -22.535 5.180 0.318 702 2HB GLU 38 2HB GLU 38 -21.763 6.757 0.398 703 1HG GLU 38 1HG GLU 38 -24.583 6.546 1.291 704 2HG GLU 38 2HG GLU 38 -23.329 5.860 2.323 705 H ASP 39 H ASP 39 -21.805 8.449 -1.808 706 HA ASP 39 HA ASP 39 -23.772 10.593 -1.703 707 1HB ASP 39 1HB ASP 39 -22.171 12.058 -0.434 708 2HB ASP 39 2HB ASP 39 -22.863 10.743 0.513 709 H ASP 40 H ASP 40 -22.914 9.595 -4.002 710 HA ASP 40 HA ASP 40 -20.545 10.406 -5.134 711 1HB ASP 40 1HB ASP 40 -22.314 8.993 -6.221 712 2HB ASP 40 2HB ASP 40 -23.220 10.469 -6.543 713 H ASP 41 H ASP 41 -19.740 12.247 -6.041 714 HA ASP 41 HA ASP 41 -19.394 14.490 -6.248 715 1HB ASP 41 1HB ASP 41 -21.380 13.867 -7.897 716 2HB ASP 41 2HB ASP 41 -22.290 14.926 -6.824 No H/Q in entry = 716 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -33.057 5.622 5.432 2 H2 ALA 1 H2 ALA 1 -33.118 7.195 4.754 3 H3 ALA 1 H3 ALA 1 -34.493 6.172 4.670 4 HA ALA 1 HA ALA 1 -33.478 4.736 3.192 5 1HB ALA 1 1HB ALA 1 -34.377 6.867 2.290 6 2HB ALA 1 2HB ALA 1 -33.102 6.162 1.297 7 3HB ALA 1 3HB ALA 1 -32.746 7.534 2.346 8 H LEU 2 H LEU 2 -31.747 3.699 4.382 9 HA LEU 2 HA LEU 2 -29.148 4.402 3.268 10 1HB LEU 2 1HB LEU 2 -29.775 5.181 5.835 11 2HB LEU 2 2HB LEU 2 -28.948 3.655 6.088 12 HG LEU 2 HG LEU 2 -27.782 5.908 4.459 13 1HD1 LEU 2 1HD1 LEU 2 -28.167 6.622 6.784 14 2HD1 LEU 2 2HD1 LEU 2 -27.242 5.229 7.345 15 3HD1 LEU 2 3HD1 LEU 2 -26.452 6.486 6.392 16 1HD2 LEU 2 1HD2 LEU 2 -26.587 3.421 5.675 17 2HD2 LEU 2 2HD2 LEU 2 -26.855 3.727 3.959 18 3HD2 LEU 2 3HD2 LEU 2 -25.680 4.692 4.853 19 H LYS 3 H LYS 3 -28.189 2.636 2.512 20 HA LYS 3 HA LYS 3 -29.316 0.046 2.972 21 1HB LYS 3 1HB LYS 3 -26.876 0.957 1.447 22 2HB LYS 3 2HB LYS 3 -27.406 -0.718 1.514 23 1HG LYS 3 1HG LYS 3 -28.181 0.263 -0.526 24 2HG LYS 3 2HG LYS 3 -29.567 -0.029 0.527 25 1HD LYS 3 1HD LYS 3 -29.859 2.228 0.980 26 2HD LYS 3 2HD LYS 3 -28.198 2.632 0.541 27 1HE LYS 3 1HE LYS 3 -29.444 3.456 -1.243 28 2HE LYS 3 2HE LYS 3 -28.869 1.897 -1.831 29 1HZ LYS 3 1HZ LYS 3 -31.262 1.372 -0.582 30 2HZ LYS 3 2HZ LYS 3 -31.537 2.797 -1.453 31 3HZ LYS 3 3HZ LYS 3 -30.977 1.412 -2.249 32 H LYS 4 H LYS 4 -28.043 -1.832 3.663 33 HA LYS 4 HA LYS 4 -26.160 -1.108 5.811 34 1HB LYS 4 1HB LYS 4 -27.846 -3.609 5.688 35 2HB LYS 4 2HB LYS 4 -26.920 -3.007 7.056 36 1HG LYS 4 1HG LYS 4 -28.515 -0.919 6.751 37 2HG LYS 4 2HG LYS 4 -29.557 -2.140 6.015 38 1HD LYS 4 1HD LYS 4 -30.224 -2.338 8.189 39 2HD LYS 4 2HD LYS 4 -28.891 -3.494 8.190 40 1HE LYS 4 1HE LYS 4 -27.411 -1.604 8.962 41 2HE LYS 4 2HE LYS 4 -28.880 -0.657 9.195 42 1HZ LYS 4 1HZ LYS 4 -28.877 -3.286 10.419 43 2HZ LYS 4 2HZ LYS 4 -27.784 -2.180 11.084 44 3HZ LYS 4 3HZ LYS 4 -29.433 -1.808 11.026 45 H HIS 5 H HIS 5 -26.936 -3.637 3.436 46 HA HIS 5 HA HIS 5 -24.731 -5.260 3.721 47 1HB HIS 5 1HB HIS 5 -25.030 -5.605 1.154 48 2HB HIS 5 2HB HIS 5 -26.331 -6.076 2.244 49 HD1 HIS 5 HD1 HIS 5 -28.526 -5.422 1.342 50 HD2 HIS 5 HD2 HIS 5 -25.572 -2.685 0.316 51 HE1 HIS 5 HE1 HIS 5 -29.690 -3.653 -0.014 52 HE2 HIS 5 HE2 HIS 5 -27.884 -2.006 -0.624 53 H HIS 6 H HIS 6 -24.966 -2.135 2.164 54 HA HIS 6 HA HIS 6 -22.543 -2.198 0.739 55 1HB HIS 6 1HB HIS 6 -24.580 -0.273 1.331 56 2HB HIS 6 2HB HIS 6 -23.007 0.460 1.635 57 HD1 HIS 6 HD1 HIS 6 -23.841 -1.994 -1.130 58 HD2 HIS 6 HD2 HIS 6 -22.741 1.981 -0.617 59 HE1 HIS 6 HE1 HIS 6 -23.422 -1.107 -3.446 60 HE2 HIS 6 HE2 HIS 6 -22.759 1.300 -3.112 61 H GLU 7 H GLU 7 -23.254 -0.704 3.899 62 HA GLU 7 HA GLU 7 -20.704 0.068 4.585 63 1HB GLU 7 1HB GLU 7 -23.195 -0.486 6.009 64 2HB GLU 7 2HB GLU 7 -21.767 -0.787 6.990 65 1HG GLU 7 1HG GLU 7 -21.002 1.453 6.694 66 2HG GLU 7 2HG GLU 7 -22.262 1.779 5.504 67 H ASN 8 H ASN 8 -22.040 -3.122 4.425 68 HA ASN 8 HA ASN 8 -20.182 -4.432 6.124 69 1HB ASN 8 1HB ASN 8 -22.433 -5.165 4.569 70 2HB ASN 8 2HB ASN 8 -21.093 -6.172 4.029 71 2HD2 ASN 8 2HD2 ASN 8 -23.614 -6.450 5.810 72 1HD2 ASN 8 1HD2 ASN 8 -23.029 -7.358 7.157 73 H GLU 9 H GLU 9 -20.412 -4.422 2.553 74 HA GLU 9 HA GLU 9 -17.787 -5.484 2.218 75 1HB GLU 9 1HB GLU 9 -19.574 -4.038 0.253 76 2HB GLU 9 2HB GLU 9 -18.107 -4.909 -0.170 77 1HG GLU 9 1HG GLU 9 -19.168 -6.966 0.796 78 2HG GLU 9 2HG GLU 9 -20.665 -6.044 0.926 79 H ILE 10 H ILE 10 -18.856 -2.437 3.113 80 HA ILE 10 HA ILE 10 -16.696 -0.951 1.882 81 HB ILE 10 HB ILE 10 -19.041 -0.190 3.621 82 1HG1 ILE 10 1HG1 ILE 10 -18.279 0.684 0.833 83 2HG1 ILE 10 2HG1 ILE 10 -19.378 -0.643 1.187 84 1HG2 ILE 10 1HG2 ILE 10 -17.077 1.184 4.256 85 2HG2 ILE 10 2HG2 ILE 10 -16.973 1.734 2.582 86 3HG2 ILE 10 3HG2 ILE 10 -18.400 2.110 3.550 87 1HD1 ILE 10 1HD1 ILE 10 -20.034 1.910 2.479 88 2HD1 ILE 10 2HD1 ILE 10 -20.158 1.885 0.720 89 3HD1 ILE 10 3HD1 ILE 10 -21.078 0.732 1.686 90 H SER 11 H SER 11 -17.556 -2.448 4.895 91 HA SER 11 HA SER 11 -15.528 -1.094 6.432 92 1HB SER 11 1HB SER 11 -17.410 -3.383 6.997 93 2HB SER 11 2HB SER 11 -16.128 -2.947 8.127 94 HG SER 11 HG SER 11 -17.114 -0.719 7.856 95 H HIS 12 H HIS 12 -15.886 -4.028 4.592 96 HA HIS 12 HA HIS 12 -13.463 -5.219 5.568 97 1HB HIS 12 1HB HIS 12 -14.675 -6.973 4.829 98 2HB HIS 12 2HB HIS 12 -15.672 -5.959 3.801 99 HD1 HIS 12 HD1 HIS 12 -12.531 -8.026 3.750 100 HD2 HIS 12 HD2 HIS 12 -14.998 -5.956 1.126 101 HE1 HIS 12 HE1 HIS 12 -11.784 -8.710 1.446 102 HE2 HIS 12 HE2 HIS 12 -13.294 -7.448 -0.129 103 H HIS 13 H HIS 13 -14.454 -3.606 2.523 104 HA HIS 13 HA HIS 13 -11.873 -3.708 1.358 105 1HB HIS 13 1HB HIS 13 -14.120 -1.750 0.840 106 2HB HIS 13 2HB HIS 13 -12.690 -1.948 -0.164 107 HD1 HIS 13 HD1 HIS 13 -12.785 -5.148 -0.045 108 HD2 HIS 13 HD2 HIS 13 -15.860 -2.575 -1.114 109 HE1 HIS 13 HE1 HIS 13 -14.324 -6.512 -1.497 110 HE2 HIS 13 HE2 HIS 13 -16.185 -4.934 -2.132 111 H ALA 14 H ALA 14 -13.365 -1.623 3.698 112 HA ALA 14 HA ALA 14 -11.615 0.592 3.440 113 1HB ALA 14 1HB ALA 14 -13.447 -0.372 5.609 114 2HB ALA 14 2HB ALA 14 -12.378 1.006 5.869 115 3HB ALA 14 3HB ALA 14 -13.589 1.059 4.588 116 H LYS 15 H LYS 15 -11.647 -2.218 5.607 117 HA LYS 15 HA LYS 15 -9.221 -1.541 6.923 118 1HB LYS 15 1HB LYS 15 -11.226 -3.471 7.232 119 2HB LYS 15 2HB LYS 15 -9.764 -4.386 6.896 120 1HG LYS 15 1HG LYS 15 -9.270 -4.194 9.047 121 2HG LYS 15 2HG LYS 15 -8.968 -2.481 8.748 122 1HD LYS 15 1HD LYS 15 -11.259 -1.942 9.303 123 2HD LYS 15 2HD LYS 15 -11.648 -3.652 9.487 124 1HE LYS 15 1HE LYS 15 -11.306 -3.101 11.676 125 2HE LYS 15 2HE LYS 15 -9.663 -3.556 11.224 126 1HZ LYS 15 1HZ LYS 15 -10.431 -0.765 10.845 127 2HZ LYS 15 2HZ LYS 15 -10.208 -1.292 12.437 128 3HZ LYS 15 3HZ LYS 15 -8.946 -1.423 11.316 129 H GLU 16 H GLU 16 -9.933 -2.911 3.861 130 HA GLU 16 HA GLU 16 -7.455 -4.346 3.581 131 1HB GLU 16 1HB GLU 16 -9.627 -3.614 1.618 132 2HB GLU 16 2HB GLU 16 -8.191 -4.523 1.170 133 1HG GLU 16 1HG GLU 16 -9.843 -5.496 3.442 134 2HG GLU 16 2HG GLU 16 -10.434 -5.728 1.798 135 H ILE 17 H ILE 17 -8.723 -1.198 2.547 136 HA ILE 17 HA ILE 17 -6.371 -0.585 0.999 137 HB ILE 17 HB ILE 17 -8.495 0.402 0.366 138 1HG1 ILE 17 1HG1 ILE 17 -6.249 1.632 0.096 139 2HG1 ILE 17 2HG1 ILE 17 -7.724 2.565 -0.122 140 1HG2 ILE 17 1HG2 ILE 17 -8.609 1.083 3.190 141 2HG2 ILE 17 2HG2 ILE 17 -9.029 2.433 2.138 142 3HG2 ILE 17 3HG2 ILE 17 -9.908 0.910 2.010 143 1HD1 ILE 17 1HD1 ILE 17 -6.962 2.709 2.613 144 2HD1 ILE 17 2HD1 ILE 17 -5.559 3.076 1.610 145 3HD1 ILE 17 3HD1 ILE 17 -7.050 3.999 1.415 146 H GLU 18 H GLU 18 -7.454 -0.096 4.271 147 HA GLU 18 HA GLU 18 -5.399 1.831 4.893 148 1HB GLU 18 1HB GLU 18 -7.810 1.004 6.085 149 2HB GLU 18 2HB GLU 18 -6.541 0.552 7.217 150 1HG GLU 18 1HG GLU 18 -5.771 2.792 7.376 151 2HG GLU 18 2HG GLU 18 -6.793 3.303 6.035 152 H ARG 19 H ARG 19 -5.923 -1.624 5.244 153 HA ARG 19 HA ARG 19 -3.624 -2.062 6.893 154 1HB ARG 19 1HB ARG 19 -5.461 -3.877 5.347 155 2HB ARG 19 2HB ARG 19 -4.024 -4.497 6.147 156 1HG ARG 19 1HG ARG 19 -4.837 -3.886 8.284 157 2HG ARG 19 2HG ARG 19 -6.148 -2.931 7.585 158 1HD ARG 19 1HD ARG 19 -7.155 -4.933 8.293 159 2HD ARG 19 2HD ARG 19 -6.968 -5.102 6.547 160 HE ARG 19 HE ARG 19 -4.728 -6.193 7.883 161 1HH1 ARG 19 1HH1 ARG 19 -8.089 -6.820 7.223 162 2HH1 ARG 19 2HH1 ARG 19 -7.922 -8.541 7.323 163 1HH2 ARG 19 1HH2 ARG 19 -4.496 -8.459 8.016 164 2HH2 ARG 19 2HH2 ARG 19 -5.880 -9.473 7.775 165 H LEU 20 H LEU 20 -4.310 -2.097 3.452 166 HA LEU 20 HA LEU 20 -1.841 -3.285 2.675 167 1HB LEU 20 1HB LEU 20 -3.872 -1.638 1.173 168 2HB LEU 20 2HB LEU 20 -2.439 -2.309 0.418 169 HG LEU 20 HG LEU 20 -4.361 -4.099 1.863 170 1HD1 LEU 20 1HD1 LEU 20 -5.229 -2.488 -0.157 171 2HD1 LEU 20 2HD1 LEU 20 -4.701 -3.922 -1.035 172 3HD1 LEU 20 3HD1 LEU 20 -5.906 -4.067 0.245 173 1HD2 LEU 20 1HD2 LEU 20 -2.011 -4.377 0.171 174 2HD2 LEU 20 2HD2 LEU 20 -2.764 -5.537 1.267 175 3HD2 LEU 20 3HD2 LEU 20 -3.374 -5.353 -0.378 176 H GLN 21 H GLN 21 -3.014 0.022 3.049 177 HA GLN 21 HA GLN 21 -0.778 1.344 1.980 178 1HB GLN 21 1HB GLN 21 -3.091 2.289 2.621 179 2HB GLN 21 2HB GLN 21 -2.429 2.441 4.243 180 1HG GLN 21 1HG GLN 21 -0.514 3.590 2.590 181 2HG GLN 21 2HG GLN 21 -2.060 4.126 1.935 182 2HE2 GLN 21 2HE2 GLN 21 -3.653 4.708 3.819 183 1HE2 GLN 21 1HE2 GLN 21 -2.997 5.792 4.994 184 H LYS 22 H LYS 22 -1.501 0.209 5.250 185 HA LYS 22 HA LYS 22 0.723 1.370 6.528 186 1HB LYS 22 1HB LYS 22 -1.387 0.215 7.524 187 2HB LYS 22 2HB LYS 22 -0.438 -1.259 7.390 188 1HG LYS 22 1HG LYS 22 0.852 1.051 8.712 189 2HG LYS 22 2HG LYS 22 -0.460 0.250 9.579 190 1HD LYS 22 1HD LYS 22 1.129 -1.164 10.288 191 2HD LYS 22 2HD LYS 22 1.010 -1.872 8.676 192 1HE LYS 22 1HE LYS 22 3.161 -1.387 8.388 193 2HE LYS 22 2HE LYS 22 2.714 0.319 8.388 194 1HZ LYS 22 1HZ LYS 22 3.008 0.334 10.804 195 2HZ LYS 22 2HZ LYS 22 3.501 -1.284 10.760 196 3HZ LYS 22 3HZ LYS 22 4.435 -0.096 10.003 197 H GLU 23 H GLU 23 0.267 -1.775 4.971 198 HA GLU 23 HA GLU 23 2.752 -2.889 5.649 199 1HB GLU 23 1HB GLU 23 0.511 -3.635 4.113 200 2HB GLU 23 2HB GLU 23 1.899 -3.762 3.042 201 1HG GLU 23 1HG GLU 23 1.975 -4.963 5.777 202 2HG GLU 23 2HG GLU 23 1.194 -5.807 4.440 203 H ILE 24 H ILE 24 1.770 -0.865 2.923 204 HA ILE 24 HA ILE 24 4.187 -1.090 1.480 205 HB ILE 24 HB ILE 24 3.364 0.430 -0.006 206 1HG1 ILE 24 1HG1 ILE 24 1.657 2.282 0.849 207 2HG1 ILE 24 2HG1 ILE 24 2.487 2.001 2.377 208 1HG2 ILE 24 1HG2 ILE 24 1.507 -1.250 0.915 209 2HG2 ILE 24 2HG2 ILE 24 0.685 0.281 1.213 210 3HG2 ILE 24 3HG2 ILE 24 1.222 -0.127 -0.413 211 1HD1 ILE 24 1HD1 ILE 24 4.462 2.251 0.371 212 2HD1 ILE 24 2HD1 ILE 24 3.311 3.573 0.167 213 3HD1 ILE 24 3HD1 ILE 24 4.116 3.337 1.720 214 H GLU 25 H GLU 25 3.138 1.024 4.071 215 HA GLU 25 HA GLU 25 5.229 2.890 3.994 216 1HB GLU 25 1HB GLU 25 3.096 3.046 5.341 217 2HB GLU 25 2HB GLU 25 3.820 1.923 6.484 218 1HG GLU 25 1HG GLU 25 5.663 3.526 6.837 219 2HG GLU 25 2HG GLU 25 4.842 4.661 5.766 220 H ARG 26 H ARG 26 4.920 -0.204 5.697 221 HA ARG 26 HA ARG 26 7.296 -0.123 7.150 222 1HB ARG 26 1HB ARG 26 5.603 -1.839 7.521 223 2HB ARG 26 2HB ARG 26 5.896 -2.505 5.920 224 1HG ARG 26 1HG ARG 26 7.986 -3.357 6.529 225 2HG ARG 26 2HG ARG 26 8.072 -2.349 7.974 226 1HD ARG 26 1HD ARG 26 6.632 -3.694 9.163 227 2HD ARG 26 2HD ARG 26 5.854 -4.323 7.711 228 HE ARG 26 HE ARG 26 8.212 -5.351 9.008 229 1HH1 ARG 26 1HH1 ARG 26 6.385 -5.200 6.048 230 2HH1 ARG 26 2HH1 ARG 26 7.049 -6.668 5.410 231 1HH2 ARG 26 1HH2 ARG 26 9.095 -7.285 8.177 232 2HH2 ARG 26 2HH2 ARG 26 8.590 -7.853 6.622 233 H HIS 27 H HIS 27 6.681 -1.466 3.914 234 HA HIS 27 HA HIS 27 9.354 -2.201 3.388 235 1HB HIS 27 1HB HIS 27 6.853 -2.229 1.995 236 2HB HIS 27 2HB HIS 27 8.078 -1.534 0.939 237 HD1 HIS 27 HD1 HIS 27 10.260 -3.084 0.573 238 HD2 HIS 27 HD2 HIS 27 6.912 -4.947 2.181 239 HE1 HIS 27 HE1 HIS 27 10.647 -5.549 0.260 240 HE2 HIS 27 HE2 HIS 27 8.607 -6.659 1.240 241 H LYS 28 H LYS 28 7.698 0.828 3.293 242 HA LYS 28 HA LYS 28 9.578 2.148 1.571 243 1HB LYS 28 1HB LYS 28 7.106 2.764 1.993 244 2HB LYS 28 2HB LYS 28 7.697 3.540 3.456 245 1HG LYS 28 1HG LYS 28 9.382 4.510 1.509 246 2HG LYS 28 2HG LYS 28 7.817 4.428 0.695 247 1HD LYS 28 1HD LYS 28 8.045 5.624 3.431 248 2HD LYS 28 2HD LYS 28 8.459 6.576 2.004 249 1HE LYS 28 1HE LYS 28 6.225 6.120 1.078 250 2HE LYS 28 2HE LYS 28 5.819 5.215 2.536 251 1HZ LYS 28 1HZ LYS 28 6.731 8.006 2.746 252 2HZ LYS 28 2HZ LYS 28 5.122 7.675 2.338 253 3HZ LYS 28 3HZ LYS 28 5.754 7.120 3.805 254 H GLN 29 H GLN 29 9.318 1.478 4.950 255 HA GLN 29 HA GLN 29 11.117 3.541 5.813 256 1HB GLN 29 1HB GLN 29 9.309 2.327 7.200 257 2HB GLN 29 2HB GLN 29 10.491 1.034 7.355 258 1HG GLN 29 1HG GLN 29 11.351 2.096 9.089 259 2HG GLN 29 2HG GLN 29 11.851 3.392 8.004 260 2HE2 GLN 29 2HE2 GLN 29 10.878 5.326 8.138 261 1HE2 GLN 29 1HE2 GLN 29 9.575 5.700 9.209 262 H SER 30 H SER 30 11.351 0.103 5.054 263 HA SER 30 HA SER 30 14.071 -0.171 5.845 264 1HB SER 30 1HB SER 30 12.103 -1.830 4.341 265 2HB SER 30 2HB SER 30 13.814 -2.218 4.155 266 HG SER 30 HG SER 30 12.847 -3.355 5.895 267 H ILE 31 H ILE 31 12.462 0.497 2.767 268 HA ILE 31 HA ILE 31 14.896 0.481 1.251 269 HB ILE 31 HB ILE 31 12.793 -0.044 0.164 270 1HG1 ILE 31 1HG1 ILE 31 12.886 1.771 -1.684 271 2HG1 ILE 31 2HG1 ILE 31 14.235 2.425 -0.761 272 1HG2 ILE 31 1HG2 ILE 31 11.757 2.011 1.673 273 2HG2 ILE 31 2HG2 ILE 31 11.721 2.650 0.030 274 3HG2 ILE 31 3HG2 ILE 31 10.914 1.127 0.401 275 1HD1 ILE 31 1HD1 ILE 31 15.289 0.145 -0.923 276 2HD1 ILE 31 2HD1 ILE 31 14.023 -0.258 -2.081 277 3HD1 ILE 31 3HD1 ILE 31 15.155 1.047 -2.433 278 H LYS 32 H LYS 32 13.078 2.834 3.043 279 HA LYS 32 HA LYS 32 14.371 5.121 1.867 280 1HB LYS 32 1HB LYS 32 12.118 5.340 2.762 281 2HB LYS 32 2HB LYS 32 12.676 4.848 4.355 282 1HG LYS 32 1HG LYS 32 13.655 6.865 4.791 283 2HG LYS 32 2HG LYS 32 13.937 7.221 3.086 284 1HD LYS 32 1HD LYS 32 11.165 7.100 4.231 285 2HD LYS 32 2HD LYS 32 12.134 8.572 4.312 286 1HE LYS 32 1HE LYS 32 12.113 7.366 1.661 287 2HE LYS 32 2HE LYS 32 10.503 7.811 2.225 288 1HZ LYS 32 1HZ LYS 32 11.490 10.041 2.771 289 2HZ LYS 32 2HZ LYS 32 12.862 9.571 1.900 290 3HZ LYS 32 3HZ LYS 32 11.364 9.684 1.123 291 H LYS 33 H LYS 33 14.958 2.954 4.506 292 HA LYS 33 HA LYS 33 16.819 4.673 5.868 293 1HB LYS 33 1HB LYS 33 15.590 3.014 7.141 294 2HB LYS 33 2HB LYS 33 16.240 1.719 6.145 295 1HG LYS 33 1HG LYS 33 18.367 1.903 7.079 296 2HG LYS 33 2HG LYS 33 18.044 3.513 7.724 297 1HD LYS 33 1HD LYS 33 17.465 2.582 9.659 298 2HD LYS 33 2HD LYS 33 16.114 1.793 8.843 299 1HE LYS 33 1HE LYS 33 17.175 -0.051 9.659 300 2HE LYS 33 2HE LYS 33 18.018 0.103 8.118 301 1HZ LYS 33 1HZ LYS 33 19.135 1.544 10.397 302 2HZ LYS 33 2HZ LYS 33 19.294 -0.140 10.404 303 3HZ LYS 33 3HZ LYS 33 19.923 0.763 9.119 304 H LEU 34 H LEU 34 16.997 1.993 3.586 305 HA LEU 34 HA LEU 34 19.847 1.794 3.660 306 1HB LEU 34 1HB LEU 34 17.636 0.529 2.208 307 2HB LEU 34 2HB LEU 34 19.105 0.689 1.264 308 HG LEU 34 HG LEU 34 19.612 -0.364 3.934 309 1HD1 LEU 34 1HD1 LEU 34 17.241 -1.227 3.139 310 2HD1 LEU 34 2HD1 LEU 34 18.235 -2.323 2.181 311 3HD1 LEU 34 3HD1 LEU 34 18.399 -2.290 3.937 312 1HD2 LEU 34 1HD2 LEU 34 20.979 -0.314 1.674 313 2HD2 LEU 34 2HD2 LEU 34 21.162 -1.628 2.836 314 3HD2 LEU 34 3HD2 LEU 34 20.143 -1.845 1.412 315 H LYS 35 H LYS 35 17.514 3.570 1.749 316 HA LYS 35 HA LYS 35 19.409 4.416 -0.233 317 1HB LYS 35 1HB LYS 35 16.960 4.225 -0.662 318 2HB LYS 35 2HB LYS 35 16.698 5.586 0.419 319 1HG LYS 35 1HG LYS 35 18.018 7.017 -1.053 320 2HG LYS 35 2HG LYS 35 18.285 5.651 -2.139 321 1HD LYS 35 1HD LYS 35 15.551 6.683 -1.406 322 2HD LYS 35 2HD LYS 35 16.448 7.228 -2.824 323 1HE LYS 35 1HE LYS 35 16.389 5.084 -3.808 324 2HE LYS 35 2HE LYS 35 15.875 4.324 -2.303 325 1HZ LYS 35 1HZ LYS 35 14.219 6.292 -3.777 326 2HZ LYS 35 2HZ LYS 35 14.093 4.621 -4.001 327 3HZ LYS 35 3HZ LYS 35 13.741 5.302 -2.493 328 H GLN 36 H GLN 36 18.190 5.658 2.800 329 HA GLN 36 HA GLN 36 19.274 8.289 2.476 330 1HB GLN 36 1HB GLN 36 17.354 7.844 3.950 331 2HB GLN 36 2HB GLN 36 18.376 6.850 4.980 332 1HG GLN 36 1HG GLN 36 19.764 8.827 5.461 333 2HG GLN 36 2HG GLN 36 18.663 9.806 4.492 334 2HE2 GLN 36 2HE2 GLN 36 18.426 7.381 7.080 335 1HE2 GLN 36 1HE2 GLN 36 17.296 8.267 8.039 336 H SER 37 H SER 37 20.413 5.249 3.744 337 HA SER 37 HA SER 37 22.652 6.312 5.158 338 1HB SER 37 1HB SER 37 22.032 3.524 4.162 339 2HB SER 37 2HB SER 37 23.441 3.922 5.144 340 HG SER 37 HG SER 37 21.850 3.268 6.533 341 H GLU 38 H GLU 38 22.023 5.439 1.865 342 HA GLU 38 HA GLU 38 24.731 5.142 1.037 343 1HB GLU 38 1HB GLU 38 22.158 4.903 -0.142 344 2HB GLU 38 2HB GLU 38 23.085 6.028 -1.126 345 1HG GLU 38 1HG GLU 38 24.864 3.980 -0.647 346 2HG GLU 38 2HG GLU 38 23.322 3.151 -0.857 347 H ASP 39 H ASP 39 22.607 7.852 1.497 348 HA ASP 39 HA ASP 39 24.141 9.708 -0.056 349 1HB ASP 39 1HB ASP 39 21.797 9.856 1.769 350 2HB ASP 39 2HB ASP 39 22.725 11.333 1.532 351 H ASP 40 H ASP 40 23.902 8.894 3.378 352 HA ASP 40 HA ASP 40 26.583 9.732 3.869 353 1HB ASP 40 1HB ASP 40 26.100 11.537 5.456 354 2HB ASP 40 2HB ASP 40 25.506 11.942 3.848 355 H ASP 41 H ASP 41 27.380 8.923 5.784 356 HA ASP 41 HA ASP 41 25.553 7.147 7.236 357 1HB ASP 41 1HB ASP 41 28.535 7.166 6.840 358 2HB ASP 41 2HB ASP 41 27.801 6.231 8.140 359 H1 ALA 1 H1 ALA 1 33.058 5.625 -5.430 360 H2 ALA 1 H2 ALA 1 33.118 7.197 -4.751 361 H3 ALA 1 H3 ALA 1 34.494 6.174 -4.668 362 HA ALA 1 HA ALA 1 33.478 4.737 -3.191 363 1HB ALA 1 1HB ALA 1 32.746 7.534 -2.344 364 2HB ALA 1 2HB ALA 1 33.102 6.161 -1.295 365 3HB ALA 1 3HB ALA 1 34.378 6.868 -2.288 366 H LEU 2 H LEU 2 31.747 3.701 -4.381 367 HA LEU 2 HA LEU 2 29.148 4.404 -3.267 368 1HB LEU 2 1HB LEU 2 29.775 5.184 -5.833 369 2HB LEU 2 2HB LEU 2 28.948 3.659 -6.087 370 HG LEU 2 HG LEU 2 27.782 5.911 -4.457 371 1HD1 LEU 2 1HD1 LEU 2 28.167 6.626 -6.782 372 2HD1 LEU 2 2HD1 LEU 2 27.242 5.233 -7.344 373 3HD1 LEU 2 3HD1 LEU 2 26.452 6.489 -6.391 374 1HD2 LEU 2 1HD2 LEU 2 26.587 3.424 -5.676 375 2HD2 LEU 2 2HD2 LEU 2 26.855 3.729 -3.959 376 3HD2 LEU 2 3HD2 LEU 2 25.680 4.694 -4.853 377 H LYS 3 H LYS 3 28.189 2.638 -2.512 378 HA LYS 3 HA LYS 3 29.316 0.048 -2.974 379 1HB LYS 3 1HB LYS 3 26.875 0.959 -1.448 380 2HB LYS 3 2HB LYS 3 27.405 -0.716 -1.516 381 1HG LYS 3 1HG LYS 3 28.180 0.263 0.525 382 2HG LYS 3 2HG LYS 3 29.566 -0.029 -0.528 383 1HD LYS 3 1HD LYS 3 29.860 2.228 -0.980 384 2HD LYS 3 2HD LYS 3 28.199 2.633 -0.541 385 1HE LYS 3 1HE LYS 3 29.445 3.455 1.243 386 2HE LYS 3 2HE LYS 3 28.869 1.897 1.830 387 1HZ LYS 3 1HZ LYS 3 31.263 1.372 0.581 388 2HZ LYS 3 2HZ LYS 3 31.537 2.796 1.451 389 3HZ LYS 3 3HZ LYS 3 30.978 1.411 2.247 390 H LYS 4 H LYS 4 28.043 -1.829 -3.665 391 HA LYS 4 HA LYS 4 26.160 -1.105 -5.813 392 1HB LYS 4 1HB LYS 4 27.847 -3.605 -5.691 393 2HB LYS 4 2HB LYS 4 26.920 -3.002 -7.060 394 1HG LYS 4 1HG LYS 4 28.515 -0.915 -6.754 395 2HG LYS 4 2HG LYS 4 29.557 -2.135 -6.018 396 1HD LYS 4 1HD LYS 4 30.224 -2.333 -8.192 397 2HD LYS 4 2HD LYS 4 28.891 -3.489 -8.194 398 1HE LYS 4 1HE LYS 4 27.410 -1.599 -8.964 399 2HE LYS 4 2HE LYS 4 28.878 -0.651 -9.197 400 1HZ LYS 4 1HZ LYS 4 28.876 -3.280 -10.423 401 2HZ LYS 4 2HZ LYS 4 27.783 -2.174 -11.087 402 3HZ LYS 4 3HZ LYS 4 29.433 -1.802 -11.029 403 H HIS 5 H HIS 5 26.936 -3.635 -3.439 404 HA HIS 5 HA HIS 5 24.731 -5.258 -3.726 405 1HB HIS 5 1HB HIS 5 25.030 -5.605 -1.160 406 2HB HIS 5 2HB HIS 5 26.331 -6.075 -2.250 407 HD1 HIS 5 HD1 HIS 5 28.526 -5.421 -1.349 408 HD2 HIS 5 HD2 HIS 5 25.571 -2.687 -0.318 409 HE1 HIS 5 HE1 HIS 5 29.690 -3.652 0.008 410 HE2 HIS 5 HE2 HIS 5 27.884 -2.007 0.622 411 H HIS 6 H HIS 6 24.966 -2.134 -2.166 412 HA HIS 6 HA HIS 6 22.543 -2.199 -0.741 413 1HB HIS 6 1HB HIS 6 24.579 -0.273 -1.331 414 2HB HIS 6 2HB HIS 6 23.007 0.460 -1.635 415 HD1 HIS 6 HD1 HIS 6 23.844 -1.996 1.128 416 HD2 HIS 6 HD2 HIS 6 22.740 1.979 0.618 417 HE1 HIS 6 HE1 HIS 6 23.424 -1.111 3.445 418 HE2 HIS 6 HE2 HIS 6 22.758 1.296 3.113 419 H GLU 7 H GLU 7 23.255 -0.703 -3.900 420 HA GLU 7 HA GLU 7 20.704 0.070 -4.586 421 1HB GLU 7 1HB GLU 7 23.195 -0.482 -6.009 422 2HB GLU 7 2HB GLU 7 21.768 -0.784 -6.991 423 1HG GLU 7 1HG GLU 7 21.002 1.457 -6.694 424 2HG GLU 7 2HG GLU 7 22.262 1.782 -5.504 425 H ASN 8 H ASN 8 22.040 -3.120 -4.428 426 HA ASN 8 HA ASN 8 20.182 -4.429 -6.128 427 1HB ASN 8 1HB ASN 8 22.432 -5.163 -4.574 428 2HB ASN 8 2HB ASN 8 21.092 -6.170 -4.034 429 2HD2 ASN 8 2HD2 ASN 8 23.614 -6.446 -5.816 430 1HD2 ASN 8 1HD2 ASN 8 23.028 -7.354 -7.165 431 H GLU 9 H GLU 9 20.412 -4.421 -2.557 432 HA GLU 9 HA GLU 9 17.787 -5.483 -2.222 433 1HB GLU 9 1HB GLU 9 19.573 -4.039 -0.256 434 2HB GLU 9 2HB GLU 9 18.106 -4.911 0.165 435 1HG GLU 9 1HG GLU 9 19.167 -6.966 -0.803 436 2HG GLU 9 2HG GLU 9 20.664 -6.044 -0.933 437 H ILE 10 H ILE 10 18.856 -2.435 -3.116 438 HA ILE 10 HA ILE 10 16.696 -0.951 -1.884 439 HB ILE 10 HB ILE 10 19.041 -0.189 -3.621 440 1HG1 ILE 10 1HG1 ILE 10 18.279 0.684 -0.833 441 2HG1 ILE 10 2HG1 ILE 10 19.379 -0.644 -1.187 442 1HG2 ILE 10 1HG2 ILE 10 17.077 1.187 -4.255 443 2HG2 ILE 10 2HG2 ILE 10 16.973 1.736 -2.581 444 3HG2 ILE 10 3HG2 ILE 10 18.400 2.112 -3.549 445 1HD1 ILE 10 1HD1 ILE 10 20.034 1.910 -2.478 446 2HD1 ILE 10 2HD1 ILE 10 20.157 1.887 -0.719 447 3HD1 ILE 10 3HD1 ILE 10 21.078 0.733 -1.684 448 H SER 11 H SER 11 17.556 -2.444 -4.897 449 HA SER 11 HA SER 11 15.528 -1.089 -6.434 450 1HB SER 11 1HB SER 11 17.410 -3.378 -6.999 451 2HB SER 11 2HB SER 11 16.128 -2.942 -8.130 452 HG SER 11 HG SER 11 17.113 -0.715 -7.857 453 H HIS 12 H HIS 12 15.886 -4.025 -4.595 454 HA HIS 12 HA HIS 12 13.463 -5.216 -5.572 455 1HB HIS 12 1HB HIS 12 14.675 -6.969 -4.834 456 2HB HIS 12 2HB HIS 12 15.672 -5.957 -3.806 457 HD1 HIS 12 HD1 HIS 12 12.530 -8.022 -3.754 458 HD2 HIS 12 HD2 HIS 12 14.999 -5.956 -1.131 459 HE1 HIS 12 HE1 HIS 12 11.783 -8.708 -1.452 460 HE2 HIS 12 HE2 HIS 12 13.294 -7.449 0.124 461 H HIS 13 H HIS 13 14.454 -3.605 -2.526 462 HA HIS 13 HA HIS 13 11.872 -3.707 -1.361 463 1HB HIS 13 1HB HIS 13 14.121 -1.750 -0.841 464 2HB HIS 13 2HB HIS 13 12.690 -1.947 0.162 465 HD1 HIS 13 HD1 HIS 13 12.785 -5.149 0.042 466 HD2 HIS 13 HD2 HIS 13 15.861 -2.576 1.112 467 HE1 HIS 13 HE1 HIS 13 14.324 -6.514 1.492 468 HE2 HIS 13 HE2 HIS 13 16.185 -4.936 2.129 469 H ALA 14 H ALA 14 13.365 -1.622 -3.699 470 HA ALA 14 HA ALA 14 11.615 0.593 -3.439 471 1HB ALA 14 1HB ALA 14 13.447 -0.369 -5.610 472 2HB ALA 14 2HB ALA 14 13.589 1.062 -4.588 473 3HB ALA 14 3HB ALA 14 12.378 1.010 -5.869 474 H LYS 15 H LYS 15 11.647 -2.215 -5.609 475 HA LYS 15 HA LYS 15 9.221 -1.537 -6.924 476 1HB LYS 15 1HB LYS 15 11.225 -3.467 -7.235 477 2HB LYS 15 2HB LYS 15 9.762 -4.382 -6.899 478 1HG LYS 15 1HG LYS 15 9.270 -4.188 -9.050 479 2HG LYS 15 2HG LYS 15 8.967 -2.475 -8.750 480 1HD LYS 15 1HD LYS 15 11.259 -1.935 -9.306 481 2HD LYS 15 2HD LYS 15 11.647 -3.647 -9.490 482 1HE LYS 15 1HE LYS 15 11.305 -3.093 -11.678 483 2HE LYS 15 2HE LYS 15 9.663 -3.549 -11.227 484 1HZ LYS 15 1HZ LYS 15 10.431 -0.758 -10.847 485 2HZ LYS 15 2HZ LYS 15 10.207 -1.285 -12.438 486 3HZ LYS 15 3HZ LYS 15 8.946 -1.416 -11.318 487 H GLU 16 H GLU 16 9.933 -2.908 -3.863 488 HA GLU 16 HA GLU 16 7.456 -4.344 -3.584 489 1HB GLU 16 1HB GLU 16 9.628 -3.613 -1.621 490 2HB GLU 16 2HB GLU 16 8.192 -4.523 -1.174 491 1HG GLU 16 1HG GLU 16 9.844 -5.494 -3.447 492 2HG GLU 16 2HG GLU 16 10.435 -5.727 -1.802 493 H ILE 17 H ILE 17 8.722 -1.196 -2.549 494 HA ILE 17 HA ILE 17 6.370 -0.584 -0.999 495 HB ILE 17 HB ILE 17 8.495 0.403 -0.366 496 1HG1 ILE 17 1HG1 ILE 17 6.249 1.632 -0.096 497 2HG1 ILE 17 2HG1 ILE 17 7.725 2.565 0.124 498 1HG2 ILE 17 1HG2 ILE 17 8.609 1.085 -3.190 499 2HG2 ILE 17 2HG2 ILE 17 9.030 2.434 -2.136 500 3HG2 ILE 17 3HG2 ILE 17 9.908 0.910 -2.010 501 1HD1 ILE 17 1HD1 ILE 17 6.963 2.711 -2.612 502 2HD1 ILE 17 2HD1 ILE 17 5.561 3.078 -1.608 503 3HD1 ILE 17 3HD1 ILE 17 7.052 4.001 -1.413 504 H GLU 18 H GLU 18 7.454 -0.094 -4.272 505 HA GLU 18 HA GLU 18 5.399 1.833 -4.893 506 1HB GLU 18 1HB GLU 18 7.809 1.008 -6.086 507 2HB GLU 18 2HB GLU 18 6.541 0.557 -7.217 508 1HG GLU 18 1HG GLU 18 5.770 2.797 -7.374 509 2HG GLU 18 2HG GLU 18 6.793 3.307 -6.032 510 H ARG 19 H ARG 19 5.923 -1.621 -5.245 511 HA ARG 19 HA ARG 19 3.624 -2.059 -6.894 512 1HB ARG 19 1HB ARG 19 5.461 -3.874 -5.349 513 2HB ARG 19 2HB ARG 19 4.024 -4.493 -6.149 514 1HG ARG 19 1HG ARG 19 4.837 -3.882 -8.286 515 2HG ARG 19 2HG ARG 19 6.148 -2.927 -7.587 516 1HD ARG 19 1HD ARG 19 7.155 -4.928 -8.296 517 2HD ARG 19 2HD ARG 19 6.968 -5.098 -6.550 518 HE ARG 19 HE ARG 19 4.728 -6.188 -7.886 519 1HH1 ARG 19 1HH1 ARG 19 8.089 -6.816 -7.228 520 2HH1 ARG 19 2HH1 ARG 19 7.922 -8.537 -7.330 521 1HH2 ARG 19 1HH2 ARG 19 4.496 -8.454 -8.022 522 2HH2 ARG 19 2HH2 ARG 19 5.880 -9.468 -7.782 523 H LEU 20 H LEU 20 4.310 -2.095 -3.453 524 HA LEU 20 HA LEU 20 1.840 -3.284 -2.677 525 1HB LEU 20 1HB LEU 20 3.872 -1.638 -1.174 526 2HB LEU 20 2HB LEU 20 2.439 -2.309 -0.419 527 HG LEU 20 HG LEU 20 4.362 -4.098 -1.867 528 1HD1 LEU 20 1HD1 LEU 20 5.230 -2.488 0.155 529 2HD1 LEU 20 2HD1 LEU 20 4.702 -3.923 1.033 530 3HD1 LEU 20 3HD1 LEU 20 5.906 -4.067 -0.248 531 1HD2 LEU 20 1HD2 LEU 20 2.011 -4.377 -0.175 532 2HD2 LEU 20 2HD2 LEU 20 2.764 -5.536 -1.271 533 3HD2 LEU 20 3HD2 LEU 20 3.374 -5.353 0.375 534 H GLN 21 H GLN 21 3.014 0.025 -3.049 535 HA GLN 21 HA GLN 21 0.778 1.346 -1.978 536 1HB GLN 21 1HB GLN 21 3.091 2.291 -2.620 537 2HB GLN 21 2HB GLN 21 2.429 2.444 -4.241 538 1HG GLN 21 1HG GLN 21 0.514 3.591 -2.588 539 2HG GLN 21 2HG GLN 21 2.061 4.127 -1.933 540 2HE2 GLN 21 2HE2 GLN 21 3.653 4.711 -3.817 541 1HE2 GLN 21 1HE2 GLN 21 2.997 5.795 -4.990 542 H LYS 22 H LYS 22 1.502 0.212 -5.250 543 HA LYS 22 HA LYS 22 -0.723 1.374 -6.527 544 1HB LYS 22 1HB LYS 22 1.387 0.219 -7.524 545 2HB LYS 22 2HB LYS 22 0.438 -1.255 -7.391 546 1HG LYS 22 1HG LYS 22 -0.852 1.056 -8.711 547 2HG LYS 22 2HG LYS 22 0.459 0.256 -9.578 548 1HD LYS 22 1HD LYS 22 -1.129 -1.158 -10.289 549 2HD LYS 22 2HD LYS 22 -1.010 -1.866 -8.677 550 1HE LYS 22 1HE LYS 22 -3.161 -1.382 -8.389 551 2HE LYS 22 2HE LYS 22 -2.714 0.323 -8.388 552 1HZ LYS 22 1HZ LYS 22 -3.009 0.340 -10.804 553 2HZ LYS 22 2HZ LYS 22 -3.501 -1.279 -10.762 554 3HZ LYS 22 3HZ LYS 22 -4.435 -0.090 -10.003 555 H GLU 23 H GLU 23 -0.267 -1.772 -4.971 556 HA GLU 23 HA GLU 23 -2.752 -2.886 -5.651 557 1HB GLU 23 1HB GLU 23 -0.510 -3.633 -4.115 558 2HB GLU 23 2HB GLU 23 -1.899 -3.761 -3.044 559 1HG GLU 23 1HG GLU 23 -1.974 -4.960 -5.780 560 2HG GLU 23 2HG GLU 23 -1.193 -5.804 -4.443 561 H ILE 24 H ILE 24 -1.770 -0.863 -2.922 562 HA ILE 24 HA ILE 24 -4.187 -1.089 -1.481 563 HB ILE 24 HB ILE 24 -3.363 0.431 0.006 564 1HG1 ILE 24 1HG1 ILE 24 -1.657 2.283 -0.849 565 2HG1 ILE 24 2HG1 ILE 24 -2.487 2.002 -2.376 566 1HG2 ILE 24 1HG2 ILE 24 -1.506 -1.249 -0.915 567 2HG2 ILE 24 2HG2 ILE 24 -0.685 0.282 -1.214 568 3HG2 ILE 24 3HG2 ILE 24 -1.222 -0.127 0.414 569 1HD1 ILE 24 1HD1 ILE 24 -4.462 2.251 -0.371 570 2HD1 ILE 24 2HD1 ILE 24 -3.310 3.573 -0.164 571 3HD1 ILE 24 3HD1 ILE 24 -4.115 3.339 -1.717 572 H GLU 25 H GLU 25 -3.138 1.026 -4.071 573 HA GLU 25 HA GLU 25 -5.229 2.892 -3.992 574 1HB GLU 25 1HB GLU 25 -3.096 3.049 -5.339 575 2HB GLU 25 2HB GLU 25 -3.820 1.927 -6.483 576 1HG GLU 25 1HG GLU 25 -5.664 3.530 -6.834 577 2HG GLU 25 2HG GLU 25 -4.842 4.664 -5.763 578 H ARG 26 H ARG 26 -4.920 -0.201 -5.698 579 HA ARG 26 HA ARG 26 -7.296 -0.118 -7.151 580 1HB ARG 26 1HB ARG 26 -5.604 -1.834 -7.523 581 2HB ARG 26 2HB ARG 26 -5.896 -2.501 -5.922 582 1HG ARG 26 1HG ARG 26 -7.986 -3.353 -6.530 583 2HG ARG 26 2HG ARG 26 -8.073 -2.345 -7.975 584 1HD ARG 26 1HD ARG 26 -6.633 -3.689 -9.165 585 2HD ARG 26 2HD ARG 26 -5.855 -4.319 -7.714 586 HE ARG 26 HE ARG 26 -8.213 -5.346 -9.010 587 1HH1 ARG 26 1HH1 ARG 26 -6.385 -5.196 -6.051 588 2HH1 ARG 26 2HH1 ARG 26 -7.049 -6.664 -5.414 589 1HH2 ARG 26 1HH2 ARG 26 -9.095 -7.280 -8.182 590 2HH2 ARG 26 2HH2 ARG 26 -8.590 -7.849 -6.625 591 H HIS 27 H HIS 27 -6.681 -1.463 -3.915 592 HA HIS 27 HA HIS 27 -9.354 -2.199 -3.390 593 1HB HIS 27 1HB HIS 27 -6.853 -2.227 -1.997 594 2HB HIS 27 2HB HIS 27 -8.078 -1.533 -0.941 595 HD1 HIS 27 HD1 HIS 27 -10.258 -3.082 -0.571 596 HD2 HIS 27 HD2 HIS 27 -6.914 -4.947 -2.186 597 HE1 HIS 27 HE1 HIS 27 -10.646 -5.548 -0.259 598 HE2 HIS 27 HE2 HIS 27 -8.609 -6.658 -1.244 599 H LYS 28 H LYS 28 -7.697 0.830 -3.293 600 HA LYS 28 HA LYS 28 -9.577 2.149 -1.569 601 1HB LYS 28 1HB LYS 28 -7.106 2.766 -1.991 602 2HB LYS 28 2HB LYS 28 -7.696 3.542 -3.454 603 1HG LYS 28 1HG LYS 28 -9.381 4.511 -1.506 604 2HG LYS 28 2HG LYS 28 -7.816 4.429 -0.693 605 1HD LYS 28 1HD LYS 28 -8.043 5.625 -3.429 606 2HD LYS 28 2HD LYS 28 -8.458 6.576 -2.001 607 1HE LYS 28 1HE LYS 28 -6.225 6.121 -1.074 608 2HE LYS 28 2HE LYS 28 -5.818 5.217 -2.533 609 1HZ LYS 28 1HZ LYS 28 -6.730 8.009 -2.741 610 2HZ LYS 28 2HZ LYS 28 -5.122 7.677 -2.332 611 3HZ LYS 28 3HZ LYS 28 -5.753 7.122 -3.800 612 H GLN 29 H GLN 29 -9.319 1.481 -4.949 613 HA GLN 29 HA GLN 29 -11.117 3.544 -5.811 614 1HB GLN 29 1HB GLN 29 -9.310 2.331 -7.199 615 2HB GLN 29 2HB GLN 29 -10.492 1.039 -7.355 616 1HG GLN 29 1HG GLN 29 -11.352 2.102 -9.087 617 2HG GLN 29 2HG GLN 29 -11.851 3.397 -8.001 618 2HE2 GLN 29 2HE2 GLN 29 -10.878 5.331 -8.134 619 1HE2 GLN 29 1HE2 GLN 29 -9.576 5.705 -9.204 620 H SER 30 H SER 30 -11.351 0.105 -5.053 621 HA SER 30 HA SER 30 -14.071 -0.167 -5.844 622 1HB SER 30 1HB SER 30 -12.104 -1.828 -4.342 623 2HB SER 30 2HB SER 30 -13.814 -2.215 -4.155 624 HG SER 30 HG SER 30 -12.848 -3.352 -5.897 625 H ILE 31 H ILE 31 -12.462 0.499 -2.766 626 HA ILE 31 HA ILE 31 -14.896 0.482 -1.249 627 HB ILE 31 HB ILE 31 -12.793 -0.045 -0.164 628 1HG1 ILE 31 1HG1 ILE 31 -12.885 1.770 1.685 629 2HG1 ILE 31 2HG1 ILE 31 -14.235 2.424 0.762 630 1HG2 ILE 31 1HG2 ILE 31 -11.756 2.012 -1.673 631 2HG2 ILE 31 2HG2 ILE 31 -11.720 2.650 -0.028 632 3HG2 ILE 31 3HG2 ILE 31 -10.914 1.127 -0.401 633 1HD1 ILE 31 1HD1 ILE 31 -15.289 0.146 0.923 634 2HD1 ILE 31 2HD1 ILE 31 -14.023 -0.259 2.081 635 3HD1 ILE 31 3HD1 ILE 31 -15.155 1.046 2.434 636 H LYS 32 H LYS 32 -13.078 2.836 -3.042 637 HA LYS 32 HA LYS 32 -14.371 5.121 -1.863 638 1HB LYS 32 1HB LYS 32 -12.118 5.341 -2.758 639 2HB LYS 32 2HB LYS 32 -12.676 4.851 -4.352 640 1HG LYS 32 1HG LYS 32 -13.655 6.868 -4.787 641 2HG LYS 32 2HG LYS 32 -13.937 7.222 -3.081 642 1HD LYS 32 1HD LYS 32 -11.165 7.103 -4.227 643 2HD LYS 32 2HD LYS 32 -12.134 8.575 -4.306 644 1HE LYS 32 1HE LYS 32 -12.113 7.367 -1.656 645 2HE LYS 32 2HE LYS 32 -10.503 7.812 -2.220 646 1HZ LYS 32 1HZ LYS 32 -11.490 10.042 -2.764 647 2HZ LYS 32 2HZ LYS 32 -12.862 9.572 -1.893 648 3HZ LYS 32 3HZ LYS 32 -11.364 9.684 -1.115 649 H LYS 33 H LYS 33 -14.958 2.956 -4.503 650 HA LYS 33 HA LYS 33 -16.819 4.677 -5.864 651 1HB LYS 33 1HB LYS 33 -15.591 3.018 -7.138 652 2HB LYS 33 2HB LYS 33 -16.241 1.722 -6.143 653 1HG LYS 33 1HG LYS 33 -18.367 1.907 -7.076 654 2HG LYS 33 2HG LYS 33 -18.045 3.517 -7.721 655 1HD LYS 33 1HD LYS 33 -17.466 2.588 -9.656 656 2HD LYS 33 2HD LYS 33 -16.115 1.798 -8.841 657 1HE LYS 33 1HE LYS 33 -17.176 -0.045 -9.658 658 2HE LYS 33 2HE LYS 33 -18.019 0.108 -8.117 659 1HZ LYS 33 1HZ LYS 33 -19.136 1.550 -10.395 660 2HZ LYS 33 2HZ LYS 33 -19.295 -0.134 -10.402 661 3HZ LYS 33 3HZ LYS 33 -19.923 0.768 -9.117 662 H LEU 34 H LEU 34 -16.997 1.994 -3.584 663 HA LEU 34 HA LEU 34 -19.848 1.796 -3.658 664 1HB LEU 34 1HB LEU 34 -17.636 0.530 -2.207 665 2HB LEU 34 2HB LEU 34 -19.105 0.689 -1.263 666 HG LEU 34 HG LEU 34 -19.613 -0.362 -3.933 667 1HD1 LEU 34 1HD1 LEU 34 -17.240 -1.224 -3.140 668 2HD1 LEU 34 2HD1 LEU 34 -18.234 -2.322 -2.183 669 3HD1 LEU 34 3HD1 LEU 34 -18.398 -2.287 -3.939 670 1HD2 LEU 34 1HD2 LEU 34 -20.978 -0.315 -1.671 671 2HD2 LEU 34 2HD2 LEU 34 -21.162 -1.628 -2.835 672 3HD2 LEU 34 3HD2 LEU 34 -20.142 -1.846 -1.413 673 H LYS 35 H LYS 35 -17.514 3.571 -1.746 674 HA LYS 35 HA LYS 35 -19.409 4.416 0.237 675 1HB LYS 35 1HB LYS 35 -16.960 4.224 0.667 676 2HB LYS 35 2HB LYS 35 -16.698 5.586 -0.415 677 1HG LYS 35 1HG LYS 35 -18.018 7.017 1.059 678 2HG LYS 35 2HG LYS 35 -18.285 5.650 2.144 679 1HD LYS 35 1HD LYS 35 -15.551 6.682 1.410 680 2HD LYS 35 2HD LYS 35 -16.448 7.226 2.830 681 1HE LYS 35 1HE LYS 35 -16.388 5.081 3.812 682 2HE LYS 35 2HE LYS 35 -15.874 4.322 2.306 683 1HZ LYS 35 1HZ LYS 35 -14.219 6.289 3.782 684 2HZ LYS 35 2HZ LYS 35 -14.092 4.617 4.005 685 3HZ LYS 35 3HZ LYS 35 -13.741 5.299 2.496 686 H GLN 36 H GLN 36 -18.190 5.659 -2.796 687 HA GLN 36 HA GLN 36 -19.274 8.290 -2.469 688 1HB GLN 36 1HB GLN 36 -17.354 7.846 -3.945 689 2HB GLN 36 2HB GLN 36 -18.376 6.852 -4.975 690 1HG GLN 36 1HG GLN 36 -19.764 8.830 -5.454 691 2HG GLN 36 2HG GLN 36 -18.663 9.808 -4.486 692 2HE2 GLN 36 2HE2 GLN 36 -18.426 7.385 -7.073 693 1HE2 GLN 36 1HE2 GLN 36 -17.296 8.272 -8.033 694 H SER 37 H SER 37 -20.414 5.251 -3.739 695 HA SER 37 HA SER 37 -22.653 6.315 -5.152 696 1HB SER 37 1HB SER 37 -22.032 3.526 -4.159 697 2HB SER 37 2HB SER 37 -23.441 3.924 -5.140 698 HG SER 37 HG SER 37 -21.850 3.272 -6.530 699 H GLU 38 H GLU 38 -22.023 5.440 -1.860 700 HA GLU 38 HA GLU 38 -24.731 5.142 -1.032 701 1HB GLU 38 1HB GLU 38 -22.157 4.904 0.146 702 2HB GLU 38 2HB GLU 38 -23.085 6.026 1.132 703 1HG GLU 38 1HG GLU 38 -24.862 3.976 0.649 704 2HG GLU 38 2HG GLU 38 -23.319 3.149 0.860 705 H ASP 39 H ASP 39 -22.608 7.853 -1.492 706 HA ASP 39 HA ASP 39 -24.141 9.707 0.064 707 1HB ASP 39 1HB ASP 39 -21.797 9.856 -1.761 708 2HB ASP 39 2HB ASP 39 -22.725 11.333 -1.523 709 H ASP 40 H ASP 40 -23.903 8.894 -3.371 710 HA ASP 40 HA ASP 40 -26.583 9.735 -3.861 711 1HB ASP 40 1HB ASP 40 -26.100 11.540 -5.446 712 2HB ASP 40 2HB ASP 40 -25.506 11.944 -3.839 713 H ASP 41 H ASP 41 -27.380 8.926 -5.777 714 HA ASP 41 HA ASP 41 -25.554 7.152 -7.230 715 1HB ASP 41 1HB ASP 41 -28.535 7.170 -6.834 716 2HB ASP 41 2HB ASP 41 -27.801 6.236 -8.135 No H/Q in entry = 716 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -30.910 -5.213 0.996 2 H2 ALA 1 H2 ALA 1 -31.913 -3.981 1.645 3 H3 ALA 1 H3 ALA 1 -30.298 -4.146 2.193 4 HA ALA 1 HA ALA 1 -31.355 -5.142 3.861 5 1HB ALA 1 1HB ALA 1 -33.494 -5.198 1.997 6 2HB ALA 1 2HB ALA 1 -33.328 -6.811 2.691 7 3HB ALA 1 3HB ALA 1 -33.551 -5.416 3.747 8 H LEU 2 H LEU 2 -31.944 -7.372 1.148 9 HA LEU 2 HA LEU 2 -30.784 -9.585 2.447 10 1HB LEU 2 1HB LEU 2 -32.431 -9.598 0.517 11 2HB LEU 2 2HB LEU 2 -31.070 -9.250 -0.533 12 HG LEU 2 HG LEU 2 -30.928 -11.627 1.270 13 1HD1 LEU 2 1HD1 LEU 2 -33.146 -11.404 -0.185 14 2HD1 LEU 2 2HD1 LEU 2 -32.064 -12.017 -1.436 15 3HD1 LEU 2 3HD1 LEU 2 -32.312 -12.941 0.045 16 1HD2 LEU 2 1HD2 LEU 2 -29.639 -10.633 -1.203 17 2HD2 LEU 2 2HD2 LEU 2 -28.948 -11.495 0.172 18 3HD2 LEU 2 3HD2 LEU 2 -29.859 -12.376 -1.055 19 H LYS 3 H LYS 3 -29.430 -7.022 0.557 20 HA LYS 3 HA LYS 3 -26.919 -8.430 0.137 21 1HB LYS 3 1HB LYS 3 -27.920 -5.701 -0.660 22 2HB LYS 3 2HB LYS 3 -26.250 -6.195 -0.900 23 1HG LYS 3 1HG LYS 3 -28.722 -7.348 -2.155 24 2HG LYS 3 2HG LYS 3 -27.355 -6.561 -2.947 25 1HD LYS 3 1HD LYS 3 -25.977 -8.501 -1.885 26 2HD LYS 3 2HD LYS 3 -27.544 -9.303 -1.771 27 1HE LYS 3 1HE LYS 3 -27.803 -8.705 -4.255 28 2HE LYS 3 2HE LYS 3 -26.067 -8.397 -4.221 29 1HZ LYS 3 1HZ LYS 3 -27.026 -10.938 -3.134 30 2HZ LYS 3 2HZ LYS 3 -27.036 -10.751 -4.815 31 3HZ LYS 3 3HZ LYS 3 -25.588 -10.588 -3.955 32 H LYS 4 H LYS 4 -27.397 -8.262 2.799 33 HA LYS 4 HA LYS 4 -26.326 -5.945 4.038 34 1HB LYS 4 1HB LYS 4 -27.010 -8.711 4.920 35 2HB LYS 4 2HB LYS 4 -25.978 -7.740 5.960 36 1HG LYS 4 1HG LYS 4 -28.261 -6.221 5.081 37 2HG LYS 4 2HG LYS 4 -28.759 -7.728 5.850 38 1HD LYS 4 1HD LYS 4 -26.694 -6.707 7.446 39 2HD LYS 4 2HD LYS 4 -27.714 -5.325 7.043 40 1HE LYS 4 1HE LYS 4 -28.398 -7.821 8.536 41 2HE LYS 4 2HE LYS 4 -28.716 -6.140 8.963 42 1HZ LYS 4 1HZ LYS 4 -30.188 -6.269 6.815 43 2HZ LYS 4 2HZ LYS 4 -30.208 -7.920 7.180 44 3HZ LYS 4 3HZ LYS 4 -30.780 -6.797 8.308 45 H HIS 5 H HIS 5 -24.936 -8.958 2.894 46 HA HIS 5 HA HIS 5 -22.454 -8.887 4.121 47 1HB HIS 5 1HB HIS 5 -21.641 -10.178 2.152 48 2HB HIS 5 2HB HIS 5 -23.145 -10.804 2.819 49 HD1 HIS 5 HD1 HIS 5 -24.616 -11.551 0.991 50 HD2 HIS 5 HD2 HIS 5 -22.482 -8.142 -0.056 51 HE1 HIS 5 HE1 HIS 5 -25.376 -10.969 -1.335 52 HE2 HIS 5 HE2 HIS 5 -24.071 -8.903 -1.949 53 H HIS 6 H HIS 6 -23.727 -6.884 1.605 54 HA HIS 6 HA HIS 6 -21.365 -5.980 0.410 55 1HB HIS 6 1HB HIS 6 -24.114 -5.354 0.270 56 2HB HIS 6 2HB HIS 6 -23.282 -3.841 0.615 57 HD1 HIS 6 HD1 HIS 6 -21.671 -6.487 -1.492 58 HD2 HIS 6 HD2 HIS 6 -23.643 -2.861 -1.970 59 HE1 HIS 6 HE1 HIS 6 -21.306 -5.834 -3.894 60 HE2 HIS 6 HE2 HIS 6 -22.509 -3.636 -4.161 61 H GLU 7 H GLU 7 -23.147 -4.713 3.211 62 HA GLU 7 HA GLU 7 -21.525 -2.495 3.716 63 1HB GLU 7 1HB GLU 7 -23.745 -2.978 4.778 64 2HB GLU 7 2HB GLU 7 -22.946 -4.174 5.789 65 1HG GLU 7 1HG GLU 7 -21.526 -1.708 5.969 66 2HG GLU 7 2HG GLU 7 -23.242 -1.413 6.247 67 H ASN 8 H ASN 8 -21.010 -5.865 4.301 68 HA ASN 8 HA ASN 8 -18.946 -5.554 6.256 69 1HB ASN 8 1HB ASN 8 -19.524 -7.907 4.440 70 2HB ASN 8 2HB ASN 8 -18.505 -7.934 5.875 71 2HD2 ASN 8 2HD2 ASN 8 -19.804 -9.561 6.766 72 1HD2 ASN 8 1HD2 ASN 8 -21.350 -9.206 7.451 73 H GLU 9 H GLU 9 -18.876 -6.521 2.823 74 HA GLU 9 HA GLU 9 -16.102 -6.429 2.510 75 1HB GLU 9 1HB GLU 9 -18.286 -6.969 0.881 76 2HB GLU 9 2HB GLU 9 -17.550 -5.558 0.135 77 1HG GLU 9 1HG GLU 9 -15.398 -7.189 0.684 78 2HG GLU 9 2HG GLU 9 -16.661 -8.316 0.186 79 H ILE 10 H ILE 10 -18.408 -3.900 2.836 80 HA ILE 10 HA ILE 10 -16.906 -1.863 1.530 81 HB ILE 10 HB ILE 10 -19.498 -2.119 2.589 82 1HG1 ILE 10 1HG1 ILE 10 -18.963 0.561 1.683 83 2HG1 ILE 10 2HG1 ILE 10 -18.111 -0.609 0.678 84 1HG2 ILE 10 1HG2 ILE 10 -18.016 0.077 4.011 85 2HG2 ILE 10 2HG2 ILE 10 -19.767 0.068 3.799 86 3HG2 ILE 10 3HG2 ILE 10 -18.984 -1.220 4.715 87 1HD1 ILE 10 1HD1 ILE 10 -20.688 -1.641 1.051 88 2HD1 ILE 10 2HD1 ILE 10 -20.885 0.077 0.706 89 3HD1 ILE 10 3HD1 ILE 10 -19.998 -0.951 -0.419 90 H SER 11 H SER 11 -17.510 -2.590 4.973 91 HA SER 11 HA SER 11 -15.738 -0.658 5.989 92 1HB SER 11 1HB SER 11 -17.566 -2.239 7.139 93 2HB SER 11 2HB SER 11 -16.126 -3.184 7.516 94 HG SER 11 HG SER 11 -15.974 -1.822 9.116 95 H HIS 12 H HIS 12 -15.218 -3.807 4.653 96 HA HIS 12 HA HIS 12 -12.637 -4.217 5.794 97 1HB HIS 12 1HB HIS 12 -13.269 -6.280 5.148 98 2HB HIS 12 2HB HIS 12 -14.464 -5.646 4.030 99 HD1 HIS 12 HD1 HIS 12 -10.934 -6.888 4.194 100 HD2 HIS 12 HD2 HIS 12 -13.661 -5.545 1.363 101 HE1 HIS 12 HE1 HIS 12 -9.927 -7.469 1.963 102 HE2 HIS 12 HE2 HIS 12 -11.594 -6.648 0.262 103 H HIS 13 H HIS 13 -13.776 -3.110 2.592 104 HA HIS 13 HA HIS 13 -11.235 -2.739 1.463 105 1HB HIS 13 1HB HIS 13 -13.769 -1.185 0.931 106 2HB HIS 13 2HB HIS 13 -12.340 -1.171 -0.090 107 HD1 HIS 13 HD1 HIS 13 -11.971 -4.381 0.175 108 HD2 HIS 13 HD2 HIS 13 -15.338 -2.281 -1.038 109 HE1 HIS 13 HE1 HIS 13 -13.291 -5.994 -1.237 110 HE2 HIS 13 HE2 HIS 13 -15.332 -4.702 -1.963 111 H ALA 14 H ALA 14 -13.118 -0.795 3.665 112 HA ALA 14 HA ALA 14 -11.724 1.640 3.365 113 1HB ALA 14 1HB ALA 14 -12.686 1.205 6.064 114 2HB ALA 14 2HB ALA 14 -13.890 0.749 4.858 115 3HB ALA 14 3HB ALA 14 -13.212 2.377 4.855 116 H LYS 15 H LYS 15 -11.421 -0.898 5.858 117 HA LYS 15 HA LYS 15 -9.118 0.215 7.055 118 1HB LYS 15 1HB LYS 15 -10.750 -2.127 7.385 119 2HB LYS 15 2HB LYS 15 -9.054 -2.590 7.419 120 1HG LYS 15 1HG LYS 15 -8.605 -1.277 9.288 121 2HG LYS 15 2HG LYS 15 -10.066 -0.310 9.075 122 1HD LYS 15 1HD LYS 15 -10.233 -3.251 9.630 123 2HD LYS 15 2HD LYS 15 -10.019 -2.092 10.944 124 1HE LYS 15 1HE LYS 15 -12.147 -1.408 10.829 125 2HE LYS 15 2HE LYS 15 -12.121 -1.337 9.068 126 1HZ LYS 15 1HZ LYS 15 -12.462 -3.812 10.675 127 2HZ LYS 15 2HZ LYS 15 -13.708 -2.974 9.898 128 3HZ LYS 15 3HZ LYS 15 -12.489 -3.711 8.987 129 H GLU 16 H GLU 16 -9.563 -1.411 4.095 130 HA GLU 16 HA GLU 16 -6.887 -2.479 3.940 131 1HB GLU 16 1HB GLU 16 -9.102 -2.270 1.895 132 2HB GLU 16 2HB GLU 16 -7.550 -3.040 1.594 133 1HG GLU 16 1HG GLU 16 -8.872 -4.036 3.986 134 2HG GLU 16 2HG GLU 16 -9.814 -4.278 2.515 135 H ILE 17 H ILE 17 -8.638 0.374 2.829 136 HA ILE 17 HA ILE 17 -6.509 1.224 1.091 137 HB ILE 17 HB ILE 17 -7.805 3.069 0.544 138 1HG1 ILE 17 1HG1 ILE 17 -9.848 3.651 2.139 139 2HG1 ILE 17 2HG1 ILE 17 -8.820 2.902 3.356 140 1HG2 ILE 17 1HG2 ILE 17 -9.024 0.610 0.637 141 2HG2 ILE 17 2HG2 ILE 17 -10.228 1.684 1.341 142 3HG2 ILE 17 3HG2 ILE 17 -9.586 2.015 -0.265 143 1HD1 ILE 17 1HD1 ILE 17 -7.179 4.676 1.943 144 2HD1 ILE 17 2HD1 ILE 17 -8.693 5.529 2.241 145 3HD1 ILE 17 3HD1 ILE 17 -7.788 4.840 3.590 146 H GLU 18 H GLU 18 -7.518 1.888 4.393 147 HA GLU 18 HA GLU 18 -5.562 3.956 4.800 148 1HB GLU 18 1HB GLU 18 -7.833 3.550 6.037 149 2HB GLU 18 2HB GLU 18 -6.883 2.460 7.037 150 1HG GLU 18 1HG GLU 18 -5.449 4.238 7.733 151 2HG GLU 18 2HG GLU 18 -6.192 5.352 6.586 152 H ARG 19 H ARG 19 -5.853 0.513 5.503 153 HA ARG 19 HA ARG 19 -3.419 0.366 6.998 154 1HB ARG 19 1HB ARG 19 -5.298 -1.263 7.228 155 2HB ARG 19 2HB ARG 19 -4.921 -1.869 5.620 156 1HG ARG 19 1HG ARG 19 -2.528 -2.186 6.666 157 2HG ARG 19 2HG ARG 19 -3.441 -2.206 8.175 158 1HD ARG 19 1HD ARG 19 -4.443 -4.185 7.702 159 2HD ARG 19 2HD ARG 19 -4.496 -3.867 5.969 160 HE ARG 19 HE ARG 19 -1.827 -4.251 6.708 161 1HH1 ARG 19 1HH1 ARG 19 -4.801 -6.051 6.493 162 2HH1 ARG 19 2HH1 ARG 19 -4.014 -7.566 6.197 163 1HH2 ARG 19 1HH2 ARG 19 -0.781 -6.240 6.318 164 2HH2 ARG 19 2HH2 ARG 19 -1.729 -7.673 6.098 165 H LEU 20 H LEU 20 -4.292 0.206 3.645 166 HA LEU 20 HA LEU 20 -1.903 -1.048 2.727 167 1HB LEU 20 1HB LEU 20 -4.185 0.395 1.472 168 2HB LEU 20 2HB LEU 20 -2.707 0.239 0.541 169 HG LEU 20 HG LEU 20 -4.032 -2.161 1.767 170 1HD1 LEU 20 1HD1 LEU 20 -5.130 -0.503 -0.262 171 2HD1 LEU 20 2HD1 LEU 20 -4.600 -2.013 -1.002 172 3HD1 LEU 20 3HD1 LEU 20 -5.731 -2.045 0.351 173 1HD2 LEU 20 1HD2 LEU 20 -1.844 -1.623 -0.143 174 2HD2 LEU 20 2HD2 LEU 20 -2.032 -2.924 1.032 175 3HD2 LEU 20 3HD2 LEU 20 -2.892 -2.994 -0.506 176 H GLN 21 H GLN 21 -3.004 2.296 3.058 177 HA GLN 21 HA GLN 21 -0.788 3.544 1.871 178 1HB GLN 21 1HB GLN 21 -2.889 4.717 2.355 179 2HB GLN 21 2HB GLN 21 -2.586 4.563 4.080 180 1HG GLN 21 1HG GLN 21 -0.986 6.184 4.089 181 2HG GLN 21 2HG GLN 21 -0.522 5.893 2.413 182 2HE2 GLN 21 2HE2 GLN 21 -3.245 7.067 4.355 183 1HE2 GLN 21 1HE2 GLN 21 -3.730 8.300 3.247 184 H LYS 22 H LYS 22 -1.441 2.711 5.267 185 HA LYS 22 HA LYS 22 0.938 3.779 6.324 186 1HB LYS 22 1HB LYS 22 -1.182 2.949 7.547 187 2HB LYS 22 2HB LYS 22 -0.436 1.359 7.466 188 1HG LYS 22 1HG LYS 22 1.608 2.803 8.473 189 2HG LYS 22 2HG LYS 22 0.230 3.680 9.140 190 1HD LYS 22 1HD LYS 22 0.883 1.975 10.702 191 2HD LYS 22 2HD LYS 22 -0.663 1.517 9.984 192 1HE LYS 22 1HE LYS 22 0.215 -0.413 9.328 193 2HE LYS 22 2HE LYS 22 1.396 0.457 8.351 194 1HZ LYS 22 1HZ LYS 22 2.786 0.636 10.376 195 2HZ LYS 22 2HZ LYS 22 1.686 -0.361 11.190 196 3HZ LYS 22 3HZ LYS 22 2.550 -0.959 9.864 197 H GLU 23 H GLU 23 0.196 0.710 4.817 198 HA GLU 23 HA GLU 23 2.568 -0.642 5.580 199 1HB GLU 23 1HB GLU 23 0.425 -1.682 4.700 200 2HB GLU 23 2HB GLU 23 0.943 -1.181 3.097 201 1HG GLU 23 1HG GLU 23 2.765 -2.638 3.100 202 2HG GLU 23 2HG GLU 23 2.696 -2.861 4.848 203 H ILE 24 H ILE 24 1.720 1.415 2.849 204 HA ILE 24 HA ILE 24 4.032 0.869 1.316 205 HB ILE 24 HB ILE 24 3.331 2.443 -0.180 206 1HG1 ILE 24 1HG1 ILE 24 1.892 4.490 0.617 207 2HG1 ILE 24 2HG1 ILE 24 2.605 4.135 2.188 208 1HG2 ILE 24 1HG2 ILE 24 1.384 0.939 0.682 209 2HG2 ILE 24 2HG2 ILE 24 0.716 2.470 1.240 210 3HG2 ILE 24 3HG2 ILE 24 1.070 2.235 -0.469 211 1HD1 ILE 24 1HD1 ILE 24 4.688 4.123 0.273 212 2HD1 ILE 24 2HD1 ILE 24 3.717 5.576 0.021 213 3HD1 ILE 24 3HD1 ILE 24 4.419 5.248 1.605 214 H GLU 25 H GLU 25 3.302 3.274 3.788 215 HA GLU 25 HA GLU 25 5.658 4.787 3.581 216 1HB GLU 25 1HB GLU 25 3.601 5.422 4.873 217 2HB GLU 25 2HB GLU 25 4.073 4.253 6.099 218 1HG GLU 25 1HG GLU 25 5.851 5.518 6.819 219 2HG GLU 25 2HG GLU 25 6.001 6.373 5.283 220 H ARG 26 H ARG 26 4.870 1.896 5.460 221 HA ARG 26 HA ARG 26 7.225 1.724 6.957 222 1HB ARG 26 1HB ARG 26 4.969 0.285 6.910 223 2HB ARG 26 2HB ARG 26 5.988 -0.794 5.967 224 1HG ARG 26 1HG ARG 26 5.941 -1.331 8.377 225 2HG ARG 26 2HG ARG 26 7.560 -0.981 7.768 226 1HD ARG 26 1HD ARG 26 7.603 1.135 8.785 227 2HD ARG 26 2HD ARG 26 5.860 1.136 9.048 228 HE ARG 26 HE ARG 26 6.188 -0.035 10.988 229 1HH1 ARG 26 1HH1 ARG 26 9.086 -0.178 9.063 230 2HH1 ARG 26 2HH1 ARG 26 10.031 -0.925 10.307 231 1HH2 ARG 26 1HH2 ARG 26 7.423 -1.019 12.635 232 2HH2 ARG 26 2HH2 ARG 26 9.085 -1.404 12.338 233 H HIS 27 H HIS 27 6.450 0.606 3.696 234 HA HIS 27 HA HIS 27 8.886 -0.789 3.276 235 1HB HIS 27 1HB HIS 27 6.497 -0.275 1.814 236 2HB HIS 27 2HB HIS 27 7.855 0.215 0.806 237 HD1 HIS 27 HD1 HIS 27 9.657 -1.684 0.296 238 HD2 HIS 27 HD2 HIS 27 6.094 -2.981 1.997 239 HE1 HIS 27 HE1 HIS 27 9.595 -4.169 -0.086 240 HE2 HIS 27 HE2 HIS 27 7.430 -4.934 0.952 241 H LYS 28 H LYS 28 7.910 2.530 3.073 242 HA LYS 28 HA LYS 28 10.079 3.444 1.473 243 1HB LYS 28 1HB LYS 28 7.761 4.562 2.105 244 2HB LYS 28 2HB LYS 28 8.713 5.254 3.411 245 1HG LYS 28 1HG LYS 28 10.197 5.580 1.028 246 2HG LYS 28 2HG LYS 28 8.537 6.078 0.696 247 1HD LYS 28 1HD LYS 28 9.901 7.007 3.189 248 2HD LYS 28 2HD LYS 28 10.247 7.800 1.650 249 1HE LYS 28 1HE LYS 28 7.816 8.179 1.354 250 2HE LYS 28 2HE LYS 28 7.545 7.491 2.955 251 1HZ LYS 28 1HZ LYS 28 9.433 9.720 2.674 252 2HZ LYS 28 2HZ LYS 28 7.775 10.051 2.636 253 3HZ LYS 28 3HZ LYS 28 8.457 9.297 3.988 254 H GLN 29 H GLN 29 9.556 2.958 4.892 255 HA GLN 29 HA GLN 29 11.815 4.424 5.796 256 1HB GLN 29 1HB GLN 29 9.775 3.664 7.151 257 2HB GLN 29 2HB GLN 29 10.566 2.097 7.246 258 1HG GLN 29 1HG GLN 29 11.729 2.798 8.985 259 2HG GLN 29 2HG GLN 29 12.475 4.041 7.982 260 2HE2 GLN 29 2HE2 GLN 29 12.310 5.985 8.808 261 1HE2 GLN 29 1HE2 GLN 29 10.995 6.591 9.751 262 H SER 30 H SER 30 11.259 1.019 5.002 263 HA SER 30 HA SER 30 13.827 0.115 5.804 264 1HB SER 30 1HB SER 30 11.798 -1.338 5.462 265 2HB SER 30 2HB SER 30 12.034 -1.153 3.725 266 HG SER 30 HG SER 30 13.141 -2.954 4.177 267 H ILE 31 H ILE 31 12.499 1.164 2.699 268 HA ILE 31 HA ILE 31 14.859 0.608 1.199 269 HB ILE 31 HB ILE 31 12.708 0.737 0.087 270 1HG1 ILE 31 1HG1 ILE 31 13.296 2.456 -1.707 271 2HG1 ILE 31 2HG1 ILE 31 14.714 2.838 -0.733 272 1HG2 ILE 31 1HG2 ILE 31 11.796 2.536 1.597 273 2HG2 ILE 31 2HG2 ILE 31 12.701 3.699 0.636 274 3HG2 ILE 31 3HG2 ILE 31 11.431 2.736 -0.114 275 1HD1 ILE 31 1HD1 ILE 31 15.290 0.377 -0.887 276 2HD1 ILE 31 2HD1 ILE 31 14.042 0.277 -2.126 277 3HD1 ILE 31 3HD1 ILE 31 15.436 1.326 -2.366 278 H LYS 32 H LYS 32 13.815 3.258 3.165 279 HA LYS 32 HA LYS 32 15.637 5.178 2.042 280 1HB LYS 32 1HB LYS 32 13.459 5.732 3.208 281 2HB LYS 32 2HB LYS 32 14.255 5.322 4.722 282 1HG LYS 32 1HG LYS 32 16.018 7.085 3.593 283 2HG LYS 32 2HG LYS 32 14.454 7.727 3.087 284 1HD LYS 32 1HD LYS 32 14.643 8.764 5.111 285 2HD LYS 32 2HD LYS 32 13.861 7.269 5.629 286 1HE LYS 32 1HE LYS 32 15.625 7.530 7.134 287 2HE LYS 32 2HE LYS 32 16.239 6.369 5.958 288 1HZ LYS 32 1HZ LYS 32 16.757 9.213 5.494 289 2HZ LYS 32 2HZ LYS 32 17.651 8.430 6.698 290 3HZ LYS 32 3HZ LYS 32 17.703 7.868 5.104 291 H LYS 33 H LYS 33 15.625 2.949 4.760 292 HA LYS 33 HA LYS 33 18.082 3.972 5.863 293 1HB LYS 33 1HB LYS 33 16.346 2.932 7.284 294 2HB LYS 33 2HB LYS 33 16.611 1.399 6.465 295 1HG LYS 33 1HG LYS 33 19.109 1.859 7.246 296 2HG LYS 33 2HG LYS 33 18.266 2.782 8.491 297 1HD LYS 33 1HD LYS 33 16.806 0.623 8.689 298 2HD LYS 33 2HD LYS 33 18.193 -0.150 7.921 299 1HE LYS 33 1HE LYS 33 19.220 -0.235 9.886 300 2HE LYS 33 2HE LYS 33 19.186 1.526 9.971 301 1HZ LYS 33 1HZ LYS 33 16.892 -0.152 10.805 302 2HZ LYS 33 2HZ LYS 33 18.123 0.299 11.873 303 3HZ LYS 33 3HZ LYS 33 17.164 1.483 11.141 304 H LEU 34 H LEU 34 17.131 1.539 3.584 305 HA LEU 34 HA LEU 34 19.665 0.161 3.627 306 1HB LEU 34 1HB LEU 34 17.049 -0.245 2.463 307 2HB LEU 34 2HB LEU 34 18.307 -0.503 1.269 308 HG LEU 34 HG LEU 34 18.493 -1.833 3.947 309 1HD1 LEU 34 1HD1 LEU 34 16.219 -2.206 2.802 310 2HD1 LEU 34 2HD1 LEU 34 17.135 -3.142 1.622 311 3HD1 LEU 34 3HD1 LEU 34 17.143 -3.617 3.320 312 1HD2 LEU 34 1HD2 LEU 34 20.344 -1.755 2.164 313 2HD2 LEU 34 2HD2 LEU 34 19.933 -3.315 2.876 314 3HD2 LEU 34 3HD2 LEU 34 19.333 -2.892 1.272 315 H LYS 35 H LYS 35 18.168 2.749 1.846 316 HA LYS 35 HA LYS 35 20.115 2.733 -0.279 317 1HB LYS 35 1HB LYS 35 17.818 4.499 0.487 318 2HB LYS 35 2HB LYS 35 19.002 5.072 -0.679 319 1HG LYS 35 1HG LYS 35 17.633 2.431 -1.019 320 2HG LYS 35 2HG LYS 35 16.891 3.937 -1.562 321 1HD LYS 35 1HD LYS 35 18.868 4.395 -2.946 322 2HD LYS 35 2HD LYS 35 19.581 2.869 -2.418 323 1HE LYS 35 1HE LYS 35 18.584 1.927 -4.172 324 2HE LYS 35 2HE LYS 35 17.059 2.161 -3.319 325 1HZ LYS 35 1HZ LYS 35 18.177 4.340 -4.953 326 2HZ LYS 35 2HZ LYS 35 17.332 3.077 -5.700 327 3HZ LYS 35 3HZ LYS 35 16.566 4.035 -4.536 328 H GLN 36 H GLN 36 19.604 4.438 2.742 329 HA GLN 36 HA GLN 36 21.714 6.337 2.286 330 1HB GLN 36 1HB GLN 36 19.571 6.367 3.909 331 2HB GLN 36 2HB GLN 36 20.778 5.786 5.048 332 1HG GLN 36 1HG GLN 36 21.508 8.137 3.414 333 2HG GLN 36 2HG GLN 36 20.272 8.370 4.650 334 2HE2 GLN 36 2HE2 GLN 36 22.691 9.673 4.767 335 1HE2 GLN 36 1HE2 GLN 36 23.606 9.068 6.102 336 H SER 37 H SER 37 21.382 3.210 3.802 337 HA SER 37 HA SER 37 23.926 3.298 5.131 338 1HB SER 37 1HB SER 37 21.791 1.248 4.728 339 2HB SER 37 2HB SER 37 23.404 0.695 5.179 340 HG SER 37 HG SER 37 22.139 1.097 7.021 341 H GLU 38 H GLU 38 22.748 2.341 2.009 342 HA GLU 38 HA GLU 38 25.029 0.763 1.293 343 1HB GLU 38 1HB GLU 38 22.484 1.374 0.167 344 2HB GLU 38 2HB GLU 38 23.712 1.780 -1.024 345 1HG GLU 38 1HG GLU 38 24.425 -0.719 0.061 346 2HG GLU 38 2HG GLU 38 22.697 -0.778 -0.281 347 H ASP 39 H ASP 39 24.224 4.129 1.227 348 HA ASP 39 HA ASP 39 26.155 4.914 -0.723 349 1HB ASP 39 1HB ASP 39 24.071 6.209 0.081 350 2HB ASP 39 2HB ASP 39 25.078 6.716 1.434 351 H ASP 40 H ASP 40 26.237 4.255 2.676 352 HA ASP 40 HA ASP 40 27.978 4.076 4.135 353 1HB ASP 40 1HB ASP 40 29.181 3.750 1.609 354 2HB ASP 40 2HB ASP 40 30.199 4.889 2.486 355 H ASP 41 H ASP 41 28.793 5.457 5.622 356 HA ASP 41 HA ASP 41 29.794 8.048 4.992 357 1HB ASP 41 1HB ASP 41 27.253 8.286 4.766 358 2HB ASP 41 2HB ASP 41 27.190 8.066 6.512 359 H1 ALA 1 H1 ALA 1 30.906 -5.205 -0.968 360 H2 ALA 1 H2 ALA 1 31.910 -3.974 -1.615 361 H3 ALA 1 H3 ALA 1 30.295 -4.138 -2.164 362 HA ALA 1 HA ALA 1 31.354 -5.131 -3.832 363 1HB ALA 1 1HB ALA 1 33.491 -5.189 -1.966 364 2HB ALA 1 2HB ALA 1 33.550 -5.405 -3.715 365 3HB ALA 1 3HB ALA 1 33.326 -6.801 -2.661 366 H LEU 2 H LEU 2 31.942 -7.364 -1.120 367 HA LEU 2 HA LEU 2 30.783 -9.576 -2.422 368 1HB LEU 2 1HB LEU 2 32.428 -9.591 -0.493 369 2HB LEU 2 2HB LEU 2 31.069 -9.242 0.559 370 HG LEU 2 HG LEU 2 30.926 -11.619 -1.245 371 1HD1 LEU 2 1HD1 LEU 2 33.141 -11.397 0.213 372 2HD1 LEU 2 2HD1 LEU 2 32.057 -12.011 1.461 373 3HD1 LEU 2 3HD1 LEU 2 32.309 -12.934 -0.020 374 1HD2 LEU 2 1HD2 LEU 2 29.635 -10.624 1.226 375 2HD2 LEU 2 2HD2 LEU 2 28.945 -11.485 -0.150 376 3HD2 LEU 2 3HD2 LEU 2 29.854 -12.368 1.077 377 H LYS 3 H LYS 3 29.426 -7.015 -0.531 378 HA LYS 3 HA LYS 3 26.915 -8.424 -0.116 379 1HB LYS 3 1HB LYS 3 27.914 -5.696 0.687 380 2HB LYS 3 2HB LYS 3 26.243 -6.192 0.925 381 1HG LYS 3 1HG LYS 3 28.715 -7.345 2.179 382 2HG LYS 3 2HG LYS 3 27.348 -6.559 2.972 383 1HD LYS 3 1HD LYS 3 25.972 -8.498 1.905 384 2HD LYS 3 2HD LYS 3 27.539 -9.301 1.794 385 1HE LYS 3 1HE LYS 3 27.793 -8.703 4.278 386 2HE LYS 3 2HE LYS 3 26.057 -8.394 4.241 387 1HZ LYS 3 1HZ LYS 3 27.017 -10.936 3.155 388 2HZ LYS 3 2HZ LYS 3 27.025 -10.749 4.837 389 3HZ LYS 3 3HZ LYS 3 25.579 -10.586 3.976 390 H LYS 4 H LYS 4 27.398 -8.252 -2.777 391 HA LYS 4 HA LYS 4 26.328 -5.934 -4.016 392 1HB LYS 4 1HB LYS 4 27.013 -8.700 -4.897 393 2HB LYS 4 2HB LYS 4 25.981 -7.729 -5.938 394 1HG LYS 4 1HG LYS 4 28.263 -6.209 -5.056 395 2HG LYS 4 2HG LYS 4 28.762 -7.717 -5.827 396 1HD LYS 4 1HD LYS 4 26.698 -6.694 -7.422 397 2HD LYS 4 2HD LYS 4 27.718 -5.313 -7.017 398 1HE LYS 4 1HE LYS 4 28.404 -7.807 -8.513 399 2HE LYS 4 2HE LYS 4 28.722 -6.125 -8.938 400 1HZ LYS 4 1HZ LYS 4 30.192 -6.257 -6.788 401 2HZ LYS 4 2HZ LYS 4 30.211 -7.907 -7.154 402 3HZ LYS 4 3HZ LYS 4 30.784 -6.783 -8.282 403 H HIS 5 H HIS 5 24.937 -8.952 -2.879 404 HA HIS 5 HA HIS 5 22.457 -8.878 -4.107 405 1HB HIS 5 1HB HIS 5 21.642 -10.172 -2.140 406 2HB HIS 5 2HB HIS 5 23.147 -10.796 -2.806 407 HD1 HIS 5 HD1 HIS 5 24.613 -11.546 -0.976 408 HD2 HIS 5 HD2 HIS 5 22.480 -8.136 0.070 409 HE1 HIS 5 HE1 HIS 5 25.370 -10.967 1.351 410 HE2 HIS 5 HE2 HIS 5 24.066 -8.899 1.965 411 H HIS 6 H HIS 6 23.726 -6.876 -1.590 412 HA HIS 6 HA HIS 6 21.365 -5.975 -0.395 413 1HB HIS 6 1HB HIS 6 24.111 -5.352 -0.248 414 2HB HIS 6 2HB HIS 6 23.284 -3.838 -0.595 415 HD1 HIS 6 HD1 HIS 6 21.665 -6.483 1.509 416 HD2 HIS 6 HD2 HIS 6 23.637 -2.857 1.989 417 HE1 HIS 6 HE1 HIS 6 21.295 -5.829 3.910 418 HE2 HIS 6 HE2 HIS 6 22.498 -3.631 4.178 419 H GLU 7 H GLU 7 23.146 -4.707 -3.195 420 HA GLU 7 HA GLU 7 21.524 -2.487 -3.696 421 1HB GLU 7 1HB GLU 7 23.745 -2.965 -4.757 422 2HB GLU 7 2HB GLU 7 22.949 -4.161 -5.770 423 1HG GLU 7 1HG GLU 7 21.523 -1.698 -5.948 424 2HG GLU 7 2HG GLU 7 23.238 -1.397 -6.225 425 H ASN 8 H ASN 8 21.008 -5.856 -4.285 426 HA ASN 8 HA ASN 8 18.946 -5.540 -6.242 427 1HB ASN 8 1HB ASN 8 19.520 -7.899 -4.433 428 2HB ASN 8 2HB ASN 8 18.506 -7.920 -5.871 429 2HD2 ASN 8 2HD2 ASN 8 19.811 -9.548 -6.757 430 1HD2 ASN 8 1HD2 ASN 8 21.359 -9.191 -7.438 431 H GLU 9 H GLU 9 18.874 -6.517 -2.811 432 HA GLU 9 HA GLU 9 16.101 -6.425 -2.500 433 1HB GLU 9 1HB GLU 9 18.284 -6.964 -0.867 434 2HB GLU 9 2HB GLU 9 17.542 -5.555 -0.122 435 1HG GLU 9 1HG GLU 9 15.396 -7.194 -0.679 436 2HG GLU 9 2HG GLU 9 16.660 -8.315 -0.178 437 H ILE 10 H ILE 10 18.409 -3.896 -2.817 438 HA ILE 10 HA ILE 10 16.905 -1.859 -1.515 439 HB ILE 10 HB ILE 10 19.497 -2.114 -2.578 440 1HG1 ILE 10 1HG1 ILE 10 18.957 0.566 -1.675 441 2HG1 ILE 10 2HG1 ILE 10 18.113 -0.605 -0.666 442 1HG2 ILE 10 1HG2 ILE 10 18.005 0.069 -4.008 443 2HG2 ILE 10 2HG2 ILE 10 19.753 0.081 -3.787 444 3HG2 ILE 10 3HG2 ILE 10 18.990 -1.219 -4.702 445 1HD1 ILE 10 1HD1 ILE 10 20.694 -1.625 -1.049 446 2HD1 ILE 10 2HD1 ILE 10 20.882 0.094 -0.700 447 3HD1 ILE 10 3HD1 ILE 10 20.004 -0.943 0.425 448 H SER 11 H SER 11 17.522 -2.565 -4.963 449 HA SER 11 HA SER 11 15.741 -0.645 -5.977 450 1HB SER 11 1HB SER 11 17.569 -2.229 -7.126 451 2HB SER 11 2HB SER 11 16.126 -3.171 -7.504 452 HG SER 11 HG SER 11 15.979 -1.809 -9.104 453 H HIS 12 H HIS 12 15.219 -3.791 -4.635 454 HA HIS 12 HA HIS 12 12.637 -4.199 -5.778 455 1HB HIS 12 1HB HIS 12 13.271 -6.262 -5.135 456 2HB HIS 12 2HB HIS 12 14.462 -5.630 -4.012 457 HD1 HIS 12 HD1 HIS 12 10.935 -6.873 -4.186 458 HD2 HIS 12 HD2 HIS 12 13.655 -5.532 -1.348 459 HE1 HIS 12 HE1 HIS 12 9.921 -7.456 -1.958 460 HE2 HIS 12 HE2 HIS 12 11.585 -6.635 -0.252 461 H HIS 13 H HIS 13 13.776 -3.090 -2.575 462 HA HIS 13 HA HIS 13 11.232 -2.720 -1.452 463 1HB HIS 13 1HB HIS 13 13.765 -1.167 -0.897 464 2HB HIS 13 2HB HIS 13 12.329 -1.166 0.116 465 HD1 HIS 13 HD1 HIS 13 11.962 -4.367 -0.153 466 HD2 HIS 13 HD2 HIS 13 15.338 -2.279 1.052 467 HE1 HIS 13 HE1 HIS 13 13.282 -5.987 1.250 468 HE2 HIS 13 HE2 HIS 13 15.329 -4.703 1.971 469 H ALA 14 H ALA 14 13.113 -0.782 -3.659 470 HA ALA 14 HA ALA 14 11.718 1.655 -3.351 471 1HB ALA 14 1HB ALA 14 13.888 0.769 -4.840 472 2HB ALA 14 2HB ALA 14 12.688 1.227 -6.048 473 3HB ALA 14 3HB ALA 14 13.208 2.397 -4.835 474 H LYS 15 H LYS 15 11.426 -0.878 -5.850 475 HA LYS 15 HA LYS 15 9.126 0.232 -7.052 476 1HB LYS 15 1HB LYS 15 10.761 -2.106 -7.380 477 2HB LYS 15 2HB LYS 15 9.066 -2.576 -7.413 478 1HG LYS 15 1HG LYS 15 8.613 -1.264 -9.283 479 2HG LYS 15 2HG LYS 15 10.071 -0.295 -9.070 480 1HD LYS 15 1HD LYS 15 10.240 -3.236 -9.625 481 2HD LYS 15 2HD LYS 15 10.030 -2.076 -10.937 482 1HE LYS 15 1HE LYS 15 12.158 -1.392 -10.820 483 2HE LYS 15 2HE LYS 15 12.128 -1.322 -9.058 484 1HZ LYS 15 1HZ LYS 15 12.471 -3.797 -10.665 485 2HZ LYS 15 2HZ LYS 15 13.716 -2.958 -9.887 486 3HZ LYS 15 3HZ LYS 15 12.495 -3.697 -8.978 487 H GLU 16 H GLU 16 9.565 -1.400 -4.093 488 HA GLU 16 HA GLU 16 6.890 -2.470 -3.944 489 1HB GLU 16 1HB GLU 16 9.097 -2.253 -1.891 490 2HB GLU 16 2HB GLU 16 7.545 -3.022 -1.593 491 1HG GLU 16 1HG GLU 16 8.877 -4.023 -3.978 492 2HG GLU 16 2HG GLU 16 9.812 -4.262 -2.502 493 H ILE 17 H ILE 17 8.634 0.385 -2.821 494 HA ILE 17 HA ILE 17 6.497 1.236 -1.097 495 HB ILE 17 HB ILE 17 7.783 3.086 -0.551 496 1HG1 ILE 17 1HG1 ILE 17 9.830 3.672 -2.139 497 2HG1 ILE 17 2HG1 ILE 17 8.808 2.919 -3.359 498 1HG2 ILE 17 1HG2 ILE 17 9.034 0.623 -0.688 499 2HG2 ILE 17 2HG2 ILE 17 10.232 1.761 -1.302 500 3HG2 ILE 17 3HG2 ILE 17 9.520 2.005 0.289 501 1HD1 ILE 17 1HD1 ILE 17 7.158 4.692 -1.952 502 2HD1 ILE 17 2HD1 ILE 17 8.671 5.548 -2.249 503 3HD1 ILE 17 3HD1 ILE 17 7.771 4.854 -3.597 504 H GLU 18 H GLU 18 7.513 1.901 -4.397 505 HA GLU 18 HA GLU 18 5.558 3.967 -4.812 506 1HB GLU 18 1HB GLU 18 7.830 3.538 -6.050 507 2HB GLU 18 2HB GLU 18 6.864 2.462 -7.050 508 1HG GLU 18 1HG GLU 18 5.454 4.255 -7.745 509 2HG GLU 18 2HG GLU 18 6.198 5.357 -6.587 510 H ARG 19 H ARG 19 5.839 0.521 -5.503 511 HA ARG 19 HA ARG 19 3.404 0.372 -6.995 512 1HB ARG 19 1HB ARG 19 5.293 -1.255 -7.213 513 2HB ARG 19 2HB ARG 19 4.898 -1.863 -5.610 514 1HG ARG 19 1HG ARG 19 2.517 -2.181 -6.673 515 2HG ARG 19 2HG ARG 19 3.438 -2.191 -8.178 516 1HD ARG 19 1HD ARG 19 4.433 -4.173 -7.715 517 2HD ARG 19 2HD ARG 19 4.492 -3.859 -5.981 518 HE ARG 19 HE ARG 19 1.821 -4.245 -6.715 519 1HH1 ARG 19 1HH1 ARG 19 4.797 -6.039 -6.496 520 2HH1 ARG 19 2HH1 ARG 19 4.014 -7.555 -6.197 521 1HH2 ARG 19 1HH2 ARG 19 0.778 -6.234 -6.322 522 2HH2 ARG 19 2HH2 ARG 19 1.728 -7.666 -6.097 523 H LEU 20 H LEU 20 4.279 0.234 -3.646 524 HA LEU 20 HA LEU 20 1.891 -1.022 -2.715 525 1HB LEU 20 1HB LEU 20 4.190 0.407 -1.474 526 2HB LEU 20 2HB LEU 20 2.721 0.255 -0.533 527 HG LEU 20 HG LEU 20 4.034 -2.144 -1.775 528 1HD1 LEU 20 1HD1 LEU 20 5.134 -0.500 0.262 529 2HD1 LEU 20 2HD1 LEU 20 4.601 -2.012 0.995 530 3HD1 LEU 20 3HD1 LEU 20 5.732 -2.039 -0.358 531 1HD2 LEU 20 1HD2 LEU 20 1.843 -1.613 0.133 532 2HD2 LEU 20 2HD2 LEU 20 2.035 -2.912 -1.044 533 3HD2 LEU 20 3HD2 LEU 20 2.891 -2.984 0.496 534 H GLN 21 H GLN 21 2.993 2.316 -3.083 535 HA GLN 21 HA GLN 21 0.785 3.567 -1.868 536 1HB GLN 21 1HB GLN 21 2.886 4.740 -2.343 537 2HB GLN 21 2HB GLN 21 2.589 4.588 -4.069 538 1HG GLN 21 1HG GLN 21 0.989 6.210 -4.084 539 2HG GLN 21 2HG GLN 21 0.523 5.921 -2.408 540 2HE2 GLN 21 2HE2 GLN 21 3.252 7.087 -4.346 541 1HE2 GLN 21 1HE2 GLN 21 3.736 8.321 -3.239 542 H LYS 22 H LYS 22 1.436 2.720 -5.257 543 HA LYS 22 HA LYS 22 -0.938 3.800 -6.321 544 1HB LYS 22 1HB LYS 22 1.183 2.979 -7.542 545 2HB LYS 22 2HB LYS 22 0.446 1.385 -7.462 546 1HG LYS 22 1HG LYS 22 -1.604 2.818 -8.472 547 2HG LYS 22 2HG LYS 22 -0.229 3.700 -9.138 548 1HD LYS 22 1HD LYS 22 -0.869 1.993 -10.700 549 2HD LYS 22 2HD LYS 22 0.673 1.535 -9.973 550 1HE LYS 22 1HE LYS 22 -0.209 -0.395 -9.323 551 2HE LYS 22 2HE LYS 22 -1.393 0.477 -8.349 552 1HZ LYS 22 1HZ LYS 22 -2.776 0.656 -10.378 553 2HZ LYS 22 2HZ LYS 22 -1.674 -0.339 -11.190 554 3HZ LYS 22 3HZ LYS 22 -2.542 -0.939 -9.867 555 H GLU 23 H GLU 23 -0.195 0.727 -4.821 556 HA GLU 23 HA GLU 23 -2.562 -0.628 -5.592 557 1HB GLU 23 1HB GLU 23 -0.422 -1.665 -4.707 558 2HB GLU 23 2HB GLU 23 -0.941 -1.162 -3.105 559 1HG GLU 23 1HG GLU 23 -2.760 -2.622 -3.106 560 2HG GLU 23 2HG GLU 23 -2.693 -2.847 -4.852 561 H ILE 24 H ILE 24 -1.722 1.417 -2.848 562 HA ILE 24 HA ILE 24 -4.040 0.872 -1.326 563 HB ILE 24 HB ILE 24 -3.342 2.442 0.176 564 1HG1 ILE 24 1HG1 ILE 24 -1.905 4.493 -0.608 565 2HG1 ILE 24 2HG1 ILE 24 -2.608 4.141 -2.184 566 1HG2 ILE 24 1HG2 ILE 24 -1.382 0.951 -0.743 567 2HG2 ILE 24 2HG2 ILE 24 -0.714 2.517 -1.198 568 3HG2 ILE 24 3HG2 ILE 24 -1.104 2.181 0.485 569 1HD1 ILE 24 1HD1 ILE 24 -4.702 4.120 -0.277 570 2HD1 ILE 24 2HD1 ILE 24 -3.736 5.575 -0.021 571 3HD1 ILE 24 3HD1 ILE 24 -4.431 5.245 -1.609 572 H GLU 25 H GLU 25 -3.300 3.285 -3.788 573 HA GLU 25 HA GLU 25 -5.654 4.799 -3.587 574 1HB GLU 25 1HB GLU 25 -3.596 5.435 -4.874 575 2HB GLU 25 2HB GLU 25 -4.065 4.267 -6.102 576 1HG GLU 25 1HG GLU 25 -5.841 5.531 -6.825 577 2HG GLU 25 2HG GLU 25 -5.995 6.385 -5.290 578 H ARG 26 H ARG 26 -4.870 1.906 -5.461 579 HA ARG 26 HA ARG 26 -7.227 1.743 -6.962 580 1HB ARG 26 1HB ARG 26 -4.972 0.302 -6.922 581 2HB ARG 26 2HB ARG 26 -5.989 -0.779 -5.980 582 1HG ARG 26 1HG ARG 26 -5.951 -1.315 -8.387 583 2HG ARG 26 2HG ARG 26 -7.568 -0.954 -7.780 584 1HD ARG 26 1HD ARG 26 -7.597 1.160 -8.799 585 2HD ARG 26 2HD ARG 26 -5.854 1.153 -9.058 586 HE ARG 26 HE ARG 26 -6.184 -0.010 -11.001 587 1HH1 ARG 26 1HH1 ARG 26 -9.081 -0.164 -9.074 588 2HH1 ARG 26 2HH1 ARG 26 -10.025 -0.910 -10.319 589 1HH2 ARG 26 1HH2 ARG 26 -7.418 -0.993 -12.649 590 2HH2 ARG 26 2HH2 ARG 26 -9.080 -1.382 -12.352 591 H HIS 27 H HIS 27 -6.446 0.627 -3.706 592 HA HIS 27 HA HIS 27 -8.880 -0.771 -3.278 593 1HB HIS 27 1HB HIS 27 -6.478 -0.279 -1.841 594 2HB HIS 27 2HB HIS 27 -7.816 0.227 -0.816 595 HD1 HIS 27 HD1 HIS 27 -9.646 -1.657 -0.302 596 HD2 HIS 27 HD2 HIS 27 -6.096 -2.983 -2.007 597 HE1 HIS 27 HE1 HIS 27 -9.602 -4.142 0.081 598 HE2 HIS 27 HE2 HIS 27 -7.444 -4.925 -0.959 599 H LYS 28 H LYS 28 -7.912 2.550 -3.092 600 HA LYS 28 HA LYS 28 -10.076 3.456 -1.472 601 1HB LYS 28 1HB LYS 28 -7.759 4.579 -2.088 602 2HB LYS 28 2HB LYS 28 -8.702 5.269 -3.402 603 1HG LYS 28 1HG LYS 28 -10.202 5.596 -1.030 604 2HG LYS 28 2HG LYS 28 -8.545 6.099 -0.689 605 1HD LYS 28 1HD LYS 28 -9.902 7.018 -3.190 606 2HD LYS 28 2HD LYS 28 -10.248 7.817 -1.655 607 1HE LYS 28 1HE LYS 28 -7.816 8.193 -1.358 608 2HE LYS 28 2HE LYS 28 -7.547 7.503 -2.957 609 1HZ LYS 28 1HZ LYS 28 -9.433 9.733 -2.678 610 2HZ LYS 28 2HZ LYS 28 -7.776 10.065 -2.639 611 3HZ LYS 28 3HZ LYS 28 -8.457 9.311 -3.992 612 H GLN 29 H GLN 29 -9.550 2.974 -4.890 613 HA GLN 29 HA GLN 29 -11.808 4.446 -5.795 614 1HB GLN 29 1HB GLN 29 -9.767 3.698 -7.151 615 2HB GLN 29 2HB GLN 29 -10.547 2.124 -7.245 616 1HG GLN 29 1HG GLN 29 -11.719 2.816 -8.983 617 2HG GLN 29 2HG GLN 29 -12.465 4.062 -7.983 618 2HE2 GLN 29 2HE2 GLN 29 -12.303 6.004 -8.815 619 1HE2 GLN 29 1HE2 GLN 29 -10.991 6.608 -9.763 620 H SER 30 H SER 30 -11.249 1.039 -5.012 621 HA SER 30 HA SER 30 -13.814 0.135 -5.821 622 1HB SER 30 1HB SER 30 -11.784 -1.319 -5.481 623 2HB SER 30 2HB SER 30 -12.023 -1.138 -3.743 624 HG SER 30 HG SER 30 -13.132 -2.934 -4.192 625 H ILE 31 H ILE 31 -12.489 1.170 -2.708 626 HA ILE 31 HA ILE 31 -14.851 0.610 -1.216 627 HB ILE 31 HB ILE 31 -12.701 0.739 -0.101 628 1HG1 ILE 31 1HG1 ILE 31 -13.299 2.440 1.702 629 2HG1 ILE 31 2HG1 ILE 31 -14.712 2.834 0.724 630 1HG2 ILE 31 1HG2 ILE 31 -11.793 2.549 -1.603 631 2HG2 ILE 31 2HG2 ILE 31 -12.704 3.704 -0.637 632 3HG2 ILE 31 3HG2 ILE 31 -11.431 2.742 0.110 633 1HD1 ILE 31 1HD1 ILE 31 -15.082 0.233 0.844 634 2HD1 ILE 31 2HD1 ILE 31 -14.099 0.403 2.296 635 3HD1 ILE 31 3HD1 ILE 31 -15.607 1.302 2.142 636 H LYS 32 H LYS 32 -13.810 3.265 -3.176 637 HA LYS 32 HA LYS 32 -15.635 5.182 -2.051 638 1HB LYS 32 1HB LYS 32 -13.458 5.741 -3.216 639 2HB LYS 32 2HB LYS 32 -14.253 5.330 -4.730 640 1HG LYS 32 1HG LYS 32 -16.021 7.087 -3.605 641 2HG LYS 32 2HG LYS 32 -14.460 7.733 -3.093 642 1HD LYS 32 1HD LYS 32 -14.640 8.772 -5.116 643 2HD LYS 32 2HD LYS 32 -13.859 7.277 -5.635 644 1HE LYS 32 1HE LYS 32 -15.619 7.541 -7.143 645 2HE LYS 32 2HE LYS 32 -16.238 6.380 -5.970 646 1HZ LYS 32 1HZ LYS 32 -16.752 9.227 -5.506 647 2HZ LYS 32 2HZ LYS 32 -17.645 8.444 -6.711 648 3HZ LYS 32 3HZ LYS 32 -17.701 7.882 -5.117 649 H LYS 33 H LYS 33 -15.620 2.959 -4.773 650 HA LYS 33 HA LYS 33 -18.076 3.980 -5.876 651 1HB LYS 33 1HB LYS 33 -16.337 2.933 -7.292 652 2HB LYS 33 2HB LYS 33 -16.613 1.402 -6.475 653 1HG LYS 33 1HG LYS 33 -19.104 1.871 -7.263 654 2HG LYS 33 2HG LYS 33 -18.256 2.796 -8.503 655 1HD LYS 33 1HD LYS 33 -16.800 0.637 -8.707 656 2HD LYS 33 2HD LYS 33 -18.188 -0.138 -7.942 657 1HE LYS 33 1HE LYS 33 -19.216 -0.215 -9.908 658 2HE LYS 33 2HE LYS 33 -19.177 1.546 -9.988 659 1HZ LYS 33 1HZ LYS 33 -16.885 -0.134 -10.823 660 2HZ LYS 33 2HZ LYS 33 -18.115 0.319 -11.892 661 3HZ LYS 33 3HZ LYS 33 -17.156 1.502 -11.158 662 H LEU 34 H LEU 34 -17.129 1.543 -3.597 663 HA LEU 34 HA LEU 34 -19.664 0.169 -3.641 664 1HB LEU 34 1HB LEU 34 -17.051 -0.235 -2.468 665 2HB LEU 34 2HB LEU 34 -18.313 -0.492 -1.278 666 HG LEU 34 HG LEU 34 -18.488 -1.826 -3.955 667 1HD1 LEU 34 1HD1 LEU 34 -16.219 -2.193 -2.783 668 2HD1 LEU 34 2HD1 LEU 34 -17.149 -3.145 -1.626 669 3HD1 LEU 34 3HD1 LEU 34 -17.131 -3.600 -3.330 670 1HD2 LEU 34 1HD2 LEU 34 -20.342 -1.745 -2.166 671 2HD2 LEU 34 2HD2 LEU 34 -19.939 -3.299 -2.894 672 3HD2 LEU 34 3HD2 LEU 34 -19.334 -2.895 -1.288 673 H LYS 35 H LYS 35 -18.169 2.757 -1.857 674 HA LYS 35 HA LYS 35 -20.121 2.744 0.263 675 1HB LYS 35 1HB LYS 35 -17.823 4.510 -0.498 676 2HB LYS 35 2HB LYS 35 -19.009 5.081 0.667 677 1HG LYS 35 1HG LYS 35 -17.641 2.439 1.006 678 2HG LYS 35 2HG LYS 35 -16.898 3.944 1.550 679 1HD LYS 35 1HD LYS 35 -18.879 4.402 2.931 680 2HD LYS 35 2HD LYS 35 -19.588 2.875 2.404 681 1HE LYS 35 1HE LYS 35 -18.592 1.936 4.162 682 2HE LYS 35 2HE LYS 35 -17.068 2.170 3.308 683 1HZ LYS 35 1HZ LYS 35 -18.186 4.350 4.939 684 2HZ LYS 35 2HZ LYS 35 -17.342 3.090 5.687 685 3HZ LYS 35 3HZ LYS 35 -16.575 4.047 4.522 686 H GLN 36 H GLN 36 -19.607 4.443 -2.761 687 HA GLN 36 HA GLN 36 -21.716 6.347 -2.307 688 1HB GLN 36 1HB GLN 36 -19.569 6.379 -3.925 689 2HB GLN 36 2HB GLN 36 -20.773 5.799 -5.068 690 1HG GLN 36 1HG GLN 36 -21.507 8.148 -3.432 691 2HG GLN 36 2HG GLN 36 -20.270 8.383 -4.665 692 2HE2 GLN 36 2HE2 GLN 36 -22.688 9.685 -4.784 693 1HE2 GLN 36 1HE2 GLN 36 -23.601 9.081 -6.121 694 H SER 37 H SER 37 -21.382 3.217 -3.814 695 HA SER 37 HA SER 37 -23.922 3.309 -5.155 696 1HB SER 37 1HB SER 37 -21.787 1.259 -4.750 697 2HB SER 37 2HB SER 37 -23.399 0.706 -5.204 698 HG SER 37 HG SER 37 -22.135 1.108 -7.045 699 H GLU 38 H GLU 38 -22.750 2.350 -2.031 700 HA GLU 38 HA GLU 38 -25.033 0.771 -1.320 701 1HB GLU 38 1HB GLU 38 -22.491 1.378 -0.190 702 2HB GLU 38 2HB GLU 38 -23.720 1.786 0.999 703 1HG GLU 38 1HG GLU 38 -24.436 -0.711 -0.084 704 2HG GLU 38 2HG GLU 38 -22.708 -0.774 0.255 705 H ASP 39 H ASP 39 -24.226 4.136 -1.252 706 HA ASP 39 HA ASP 39 -26.158 4.922 0.696 707 1HB ASP 39 1HB ASP 39 -24.073 6.215 -0.106 708 2HB ASP 39 2HB ASP 39 -25.078 6.723 -1.461 709 H ASP 40 H ASP 40 -26.237 4.266 -2.704 710 HA ASP 40 HA ASP 40 -27.977 4.090 -4.165 711 1HB ASP 40 1HB ASP 40 -29.183 3.762 -1.640 712 2HB ASP 40 2HB ASP 40 -30.200 4.901 -2.518 713 H ASP 41 H ASP 41 -28.794 5.472 -5.651 714 HA ASP 41 HA ASP 41 -29.792 8.063 -5.019 715 1HB ASP 41 1HB ASP 41 -27.251 8.299 -4.789 716 2HB ASP 41 2HB ASP 41 -27.186 8.081 -6.535 No H/Q in entry = 716 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -32.669 -1.669 5.711 2 H2 ALA 1 H2 ALA 1 -32.571 -1.243 7.370 3 H3 ALA 1 H3 ALA 1 -31.993 -0.160 6.173 4 HA ALA 1 HA ALA 1 -30.142 -1.321 5.778 5 1HB ALA 1 1HB ALA 1 -30.161 -0.482 8.096 6 2HB ALA 1 2HB ALA 1 -29.157 -1.919 7.904 7 3HB ALA 1 3HB ALA 1 -30.755 -2.052 8.640 8 H LEU 2 H LEU 2 -31.292 -2.928 4.312 9 HA LEU 2 HA LEU 2 -31.575 -5.587 5.453 10 1HB LEU 2 1HB LEU 2 -32.462 -4.220 3.024 11 2HB LEU 2 2HB LEU 2 -31.920 -5.864 2.741 12 HG LEU 2 HG LEU 2 -33.612 -5.917 5.017 13 1HD1 LEU 2 1HD1 LEU 2 -34.513 -4.094 2.851 14 2HD1 LEU 2 2HD1 LEU 2 -35.697 -5.174 3.587 15 3HD1 LEU 2 3HD1 LEU 2 -34.811 -4.024 4.587 16 1HD2 LEU 2 1HD2 LEU 2 -33.499 -7.044 2.289 17 2HD2 LEU 2 2HD2 LEU 2 -33.682 -7.850 3.846 18 3HD2 LEU 2 3HD2 LEU 2 -35.071 -7.071 3.088 19 H LYS 3 H LYS 3 -30.257 -4.985 2.239 20 HA LYS 3 HA LYS 3 -28.445 -6.999 2.154 21 1HB LYS 3 1HB LYS 3 -29.004 -4.733 0.605 22 2HB LYS 3 2HB LYS 3 -27.277 -4.658 0.923 23 1HG LYS 3 1HG LYS 3 -27.148 -5.956 -0.899 24 2HG LYS 3 2HG LYS 3 -27.525 -7.253 0.236 25 1HD LYS 3 1HD LYS 3 -29.971 -6.787 -0.291 26 2HD LYS 3 2HD LYS 3 -29.384 -5.812 -1.640 27 1HE LYS 3 1HE LYS 3 -28.510 -7.646 -2.753 28 2HE LYS 3 2HE LYS 3 -28.418 -8.619 -1.285 29 1HZ LYS 3 1HZ LYS 3 -30.833 -8.765 -1.281 30 2HZ LYS 3 2HZ LYS 3 -30.914 -7.842 -2.696 31 3HZ LYS 3 3HZ LYS 3 -30.197 -9.374 -2.725 32 H LYS 4 H LYS 4 -27.323 -7.413 4.034 33 HA LYS 4 HA LYS 4 -25.495 -5.340 5.012 34 1HB LYS 4 1HB LYS 4 -25.273 -6.678 7.019 35 2HB LYS 4 2HB LYS 4 -26.977 -6.432 6.660 36 1HG LYS 4 1HG LYS 4 -27.089 -8.639 7.078 37 2HG LYS 4 2HG LYS 4 -26.580 -8.765 5.392 38 1HD LYS 4 1HD LYS 4 -24.409 -9.318 5.952 39 2HD LYS 4 2HD LYS 4 -24.518 -8.564 7.544 40 1HE LYS 4 1HE LYS 4 -26.003 -10.356 8.291 41 2HE LYS 4 2HE LYS 4 -25.910 -11.103 6.697 42 1HZ LYS 4 1HZ LYS 4 -23.335 -10.938 7.284 43 2HZ LYS 4 2HZ LYS 4 -23.954 -11.073 8.853 44 3HZ LYS 4 3HZ LYS 4 -24.284 -12.273 7.705 45 H HIS 5 H HIS 5 -25.176 -7.153 2.571 46 HA HIS 5 HA HIS 5 -22.706 -8.538 3.331 47 1HB HIS 5 1HB HIS 5 -23.925 -8.696 0.596 48 2HB HIS 5 2HB HIS 5 -22.956 -9.892 1.450 49 HD1 HIS 5 HD1 HIS 5 -24.788 -9.790 4.080 50 HD2 HIS 5 HD2 HIS 5 -26.062 -10.416 0.175 51 HE1 HIS 5 HE1 HIS 5 -26.977 -11.012 4.276 52 HE2 HIS 5 HE2 HIS 5 -27.732 -11.381 1.900 53 H HIS 6 H HIS 6 -23.972 -5.952 1.358 54 HA HIS 6 HA HIS 6 -21.559 -5.472 -0.096 55 1HB HIS 6 1HB HIS 6 -24.179 -4.083 0.228 56 2HB HIS 6 2HB HIS 6 -22.821 -3.150 -0.391 57 HD1 HIS 6 HD1 HIS 6 -23.412 -6.770 -1.254 58 HD2 HIS 6 HD2 HIS 6 -23.703 -3.010 -3.001 59 HE1 HIS 6 HE1 HIS 6 -23.845 -7.195 -3.695 60 HE2 HIS 6 HE2 HIS 6 -24.018 -4.906 -4.734 61 H GLU 7 H GLU 7 -23.022 -4.143 2.834 62 HA GLU 7 HA GLU 7 -21.129 -2.054 3.174 63 1HB GLU 7 1HB GLU 7 -22.717 -3.392 5.366 64 2HB GLU 7 2HB GLU 7 -22.075 -1.755 5.353 65 1HG GLU 7 1HG GLU 7 -23.862 -0.954 4.305 66 2HG GLU 7 2HG GLU 7 -23.855 -2.259 3.121 67 H ASN 8 H ASN 8 -21.225 -5.419 4.123 68 HA ASN 8 HA ASN 8 -19.068 -5.306 5.970 69 1HB ASN 8 1HB ASN 8 -20.773 -7.346 4.803 70 2HB ASN 8 2HB ASN 8 -19.101 -7.890 4.899 71 2HD2 ASN 8 2HD2 ASN 8 -20.843 -9.234 6.359 72 1HD2 ASN 8 1HD2 ASN 8 -20.703 -8.848 8.037 73 H GLU 9 H GLU 9 -19.309 -6.081 2.525 74 HA GLU 9 HA GLU 9 -16.624 -6.785 2.118 75 1HB GLU 9 1HB GLU 9 -18.601 -7.099 0.530 76 2HB GLU 9 2HB GLU 9 -18.360 -5.421 0.066 77 1HG GLU 9 1HG GLU 9 -15.902 -6.198 -0.353 78 2HG GLU 9 2HG GLU 9 -16.642 -7.796 -0.447 79 H ILE 10 H ILE 10 -18.268 -3.641 1.806 80 HA ILE 10 HA ILE 10 -15.914 -2.268 1.012 81 HB ILE 10 HB ILE 10 -17.103 -0.218 1.385 82 1HG1 ILE 10 1HG1 ILE 10 -19.170 -1.899 2.817 83 2HG1 ILE 10 2HG1 ILE 10 -18.110 -0.701 3.555 84 1HG2 ILE 10 1HG2 ILE 10 -17.688 -1.528 -0.592 85 2HG2 ILE 10 2HG2 ILE 10 -18.981 -2.312 0.312 86 3HG2 ILE 10 3HG2 ILE 10 -19.058 -0.580 -0.007 87 1HD1 ILE 10 1HD1 ILE 10 -19.481 0.571 1.438 88 2HD1 ILE 10 2HD1 ILE 10 -20.666 -0.336 2.381 89 3HD1 ILE 10 3HD1 ILE 10 -19.632 0.852 3.175 90 H SER 11 H SER 11 -17.229 -3.241 4.067 91 HA SER 11 HA SER 11 -15.878 -1.458 5.761 92 1HB SER 11 1HB SER 11 -17.466 -3.797 6.060 93 2HB SER 11 2HB SER 11 -15.974 -4.064 6.961 94 HG SER 11 HG SER 11 -17.234 -3.005 8.370 95 H HIS 12 H HIS 12 -14.930 -4.557 4.336 96 HA HIS 12 HA HIS 12 -12.385 -4.650 5.600 97 1HB HIS 12 1HB HIS 12 -12.715 -6.758 4.876 98 2HB HIS 12 2HB HIS 12 -13.912 -6.246 3.698 99 HD1 HIS 12 HD1 HIS 12 -10.271 -7.054 4.052 100 HD2 HIS 12 HD2 HIS 12 -12.976 -5.976 1.091 101 HE1 HIS 12 HE1 HIS 12 -9.074 -7.449 1.875 102 HE2 HIS 12 HE2 HIS 12 -10.731 -6.790 0.093 103 H HIS 13 H HIS 13 -13.570 -3.381 2.523 104 HA HIS 13 HA HIS 13 -11.076 -2.765 1.375 105 1HB HIS 13 1HB HIS 13 -13.681 -1.276 1.001 106 2HB HIS 13 2HB HIS 13 -12.288 -1.227 -0.072 107 HD1 HIS 13 HD1 HIS 13 -11.874 -4.421 0.041 108 HD2 HIS 13 HD2 HIS 13 -15.341 -2.350 -0.916 109 HE1 HIS 13 HE1 HIS 13 -13.233 -6.005 -1.364 110 HE2 HIS 13 HE2 HIS 13 -15.333 -4.731 -1.934 111 H ALA 14 H ALA 14 -12.934 -1.238 3.868 112 HA ALA 14 HA ALA 14 -11.698 1.327 3.725 113 1HB ALA 14 1HB ALA 14 -12.659 1.648 5.993 114 2HB ALA 14 2HB ALA 14 -13.844 1.102 4.807 115 3HB ALA 14 3HB ALA 14 -13.177 -0.038 5.975 116 H LYS 15 H LYS 15 -11.304 -1.442 5.923 117 HA LYS 15 HA LYS 15 -8.984 -0.368 7.178 118 1HB LYS 15 1HB LYS 15 -9.949 -3.233 7.058 119 2HB LYS 15 2HB LYS 15 -8.737 -2.604 8.166 120 1HG LYS 15 1HG LYS 15 -10.719 -0.945 8.779 121 2HG LYS 15 2HG LYS 15 -11.681 -2.307 8.201 122 1HD LYS 15 1HD LYS 15 -11.434 -3.218 10.219 123 2HD LYS 15 2HD LYS 15 -9.729 -3.450 9.826 124 1HE LYS 15 1HE LYS 15 -9.504 -2.253 11.752 125 2HE LYS 15 2HE LYS 15 -9.585 -0.924 10.598 126 1HZ LYS 15 1HZ LYS 15 -12.194 -1.454 11.226 127 2HZ LYS 15 2HZ LYS 15 -11.386 -1.601 12.704 128 3HZ LYS 15 3HZ LYS 15 -11.265 -0.168 11.812 129 H GLU 16 H GLU 16 -9.490 -1.715 4.122 130 HA GLU 16 HA GLU 16 -6.871 -2.912 3.871 131 1HB GLU 16 1HB GLU 16 -9.278 -2.658 2.128 132 2HB GLU 16 2HB GLU 16 -7.722 -2.940 1.360 133 1HG GLU 16 1HG GLU 16 -9.141 -4.688 3.347 134 2HG GLU 16 2HG GLU 16 -8.753 -5.047 1.666 135 H ILE 17 H ILE 17 -8.530 0.050 2.847 136 HA ILE 17 HA ILE 17 -6.328 0.952 1.233 137 HB ILE 17 HB ILE 17 -8.484 1.790 0.651 138 1HG1 ILE 17 1HG1 ILE 17 -6.826 3.957 1.965 139 2HG1 ILE 17 2HG1 ILE 17 -6.707 3.400 0.300 140 1HG2 ILE 17 1HG2 ILE 17 -8.702 2.341 3.551 141 2HG2 ILE 17 2HG2 ILE 17 -9.537 3.438 2.454 142 3HG2 ILE 17 3HG2 ILE 17 -9.900 1.714 2.419 143 1HD1 ILE 17 1HD1 ILE 17 -9.204 4.160 0.187 144 2HD1 ILE 17 2HD1 ILE 17 -8.746 5.145 1.576 145 3HD1 ILE 17 3HD1 ILE 17 -7.895 5.333 0.043 146 H GLU 18 H GLU 18 -7.349 1.327 4.564 147 HA GLU 18 HA GLU 18 -5.452 3.401 5.159 148 1HB GLU 18 1HB GLU 18 -7.284 1.686 6.810 149 2HB GLU 18 2HB GLU 18 -6.066 2.694 7.578 150 1HG GLU 18 1HG GLU 18 -7.048 4.650 6.365 151 2HG GLU 18 2HG GLU 18 -8.358 3.586 5.852 152 H ARG 19 H ARG 19 -5.624 -0.103 5.597 153 HA ARG 19 HA ARG 19 -3.144 -0.273 7.009 154 1HB ARG 19 1HB ARG 19 -5.093 -1.952 7.035 155 2HB ARG 19 2HB ARG 19 -4.447 -2.535 5.507 156 1HG ARG 19 1HG ARG 19 -2.320 -3.042 6.601 157 2HG ARG 19 2HG ARG 19 -2.976 -2.466 8.134 158 1HD ARG 19 1HD ARG 19 -3.420 -4.674 8.400 159 2HD ARG 19 2HD ARG 19 -4.876 -4.228 7.513 160 HE ARG 19 HE ARG 19 -4.186 -5.643 5.877 161 1HH1 ARG 19 1HH1 ARG 19 -1.372 -4.492 7.575 162 2HH1 ARG 19 2HH1 ARG 19 -0.261 -5.436 6.639 163 1HH2 ARG 19 1HH2 ARG 19 -2.733 -6.892 4.639 164 2HH2 ARG 19 2HH2 ARG 19 -1.034 -6.800 4.970 165 H LEU 20 H LEU 20 -4.084 -0.196 3.678 166 HA LEU 20 HA LEU 20 -1.674 -1.339 2.644 167 1HB LEU 20 1HB LEU 20 -4.089 -0.043 1.534 168 2HB LEU 20 2HB LEU 20 -2.635 0.108 0.573 169 HG LEU 20 HG LEU 20 -4.191 -1.842 0.042 170 1HD1 LEU 20 1HD1 LEU 20 -1.900 -1.633 -0.805 171 2HD1 LEU 20 2HD1 LEU 20 -1.298 -2.438 0.645 172 3HD1 LEU 20 3HD1 LEU 20 -2.335 -3.312 -0.483 173 1HD2 LEU 20 1HD2 LEU 20 -3.859 -2.350 2.763 174 2HD2 LEU 20 2HD2 LEU 20 -4.623 -3.398 1.567 175 3HD2 LEU 20 3HD2 LEU 20 -2.911 -3.591 1.943 176 H GLN 21 H GLN 21 -2.873 1.920 3.270 177 HA GLN 21 HA GLN 21 -0.750 3.326 2.060 178 1HB GLN 21 1HB GLN 21 -2.950 3.942 3.917 179 2HB GLN 21 2HB GLN 21 -1.541 4.980 4.086 180 1HG GLN 21 1HG GLN 21 -1.673 5.395 1.617 181 2HG GLN 21 2HG GLN 21 -3.219 4.546 1.632 182 2HE2 GLN 21 2HE2 GLN 21 -1.623 7.012 3.633 183 1HE2 GLN 21 1HE2 GLN 21 -2.963 8.102 3.657 184 H LYS 22 H LYS 22 -1.275 2.271 5.414 185 HA LYS 22 HA LYS 22 1.140 3.317 6.437 186 1HB LYS 22 1HB LYS 22 -1.015 2.328 7.621 187 2HB LYS 22 2HB LYS 22 -0.063 0.850 7.612 188 1HG LYS 22 1HG LYS 22 1.405 3.188 8.563 189 2HG LYS 22 2HG LYS 22 0.004 2.765 9.550 190 1HD LYS 22 1HD LYS 22 2.033 0.719 8.695 191 2HD LYS 22 2HD LYS 22 2.234 1.683 10.159 192 1HE LYS 22 1HE LYS 22 0.698 0.501 11.282 193 2HE LYS 22 2HE LYS 22 -0.412 0.475 9.913 194 1HZ LYS 22 1HZ LYS 22 1.996 -1.243 10.016 195 2HZ LYS 22 2HZ LYS 22 0.515 -1.734 10.671 196 3HZ LYS 22 3HZ LYS 22 0.639 -1.400 9.017 197 H GLU 23 H GLU 23 0.332 0.358 4.783 198 HA GLU 23 HA GLU 23 2.681 -1.089 5.433 199 1HB GLU 23 1HB GLU 23 0.315 -1.560 3.979 200 2HB GLU 23 2HB GLU 23 1.636 -1.810 2.847 201 1HG GLU 23 1HG GLU 23 2.345 -3.675 3.877 202 2HG GLU 23 2HG GLU 23 1.993 -3.049 5.487 203 H ILE 24 H ILE 24 1.841 1.145 2.839 204 HA ILE 24 HA ILE 24 4.150 0.676 1.272 205 HB ILE 24 HB ILE 24 3.442 2.320 -0.139 206 1HG1 ILE 24 1HG1 ILE 24 2.088 4.370 0.737 207 2HG1 ILE 24 2HG1 ILE 24 2.745 3.917 2.309 208 1HG2 ILE 24 1HG2 ILE 24 1.445 0.842 0.797 209 2HG2 ILE 24 2HG2 ILE 24 0.825 2.437 1.227 210 3HG2 ILE 24 3HG2 ILE 24 1.221 2.068 -0.452 211 1HD1 ILE 24 1HD1 ILE 24 4.850 3.934 0.383 212 2HD1 ILE 24 2HD1 ILE 24 3.958 5.456 0.297 213 3HD1 ILE 24 3HD1 ILE 24 4.652 4.924 1.830 214 H GLU 25 H GLU 25 3.412 2.951 3.862 215 HA GLU 25 HA GLU 25 5.744 4.487 3.770 216 1HB GLU 25 1HB GLU 25 3.621 4.847 5.167 217 2HB GLU 25 2HB GLU 25 4.340 3.743 6.330 218 1HG GLU 25 1HG GLU 25 5.227 5.574 7.232 219 2HG GLU 25 2HG GLU 25 6.377 5.499 5.899 220 H ARG 26 H ARG 26 5.047 1.463 5.490 221 HA ARG 26 HA ARG 26 7.422 1.226 6.921 222 1HB ARG 26 1HB ARG 26 5.344 -0.643 5.943 223 2HB ARG 26 2HB ARG 26 6.897 -1.365 6.341 224 1HG ARG 26 1HG ARG 26 6.016 0.478 8.390 225 2HG ARG 26 2HG ARG 26 4.834 -0.798 8.092 226 1HD ARG 26 1HD ARG 26 6.295 -1.606 9.774 227 2HD ARG 26 2HD ARG 26 6.728 -2.445 8.285 228 HE ARG 26 HE ARG 26 8.286 -0.084 8.731 229 1HH1 ARG 26 1HH1 ARG 26 7.968 -3.463 9.507 230 2HH1 ARG 26 2HH1 ARG 26 9.649 -3.672 9.868 231 1HH2 ARG 26 1HH2 ARG 26 10.503 -0.347 9.204 232 2HH2 ARG 26 2HH2 ARG 26 11.091 -1.900 9.696 233 H HIS 27 H HIS 27 6.631 0.017 3.670 234 HA HIS 27 HA HIS 27 9.173 -1.066 3.124 235 1HB HIS 27 1HB HIS 27 6.840 -0.222 1.445 236 2HB HIS 27 2HB HIS 27 8.364 -0.624 0.661 237 HD1 HIS 27 HD1 HIS 27 9.264 -3.117 1.145 238 HD2 HIS 27 HD2 HIS 27 5.293 -2.367 2.116 239 HE1 HIS 27 HE1 HIS 27 8.189 -5.379 1.373 240 HE2 HIS 27 HE2 HIS 27 5.786 -4.902 1.962 241 H LYS 28 H LYS 28 7.941 2.165 3.071 242 HA LYS 28 HA LYS 28 9.954 3.274 1.374 243 1HB LYS 28 1HB LYS 28 7.785 4.371 1.649 244 2HB LYS 28 2HB LYS 28 8.105 4.604 3.361 245 1HG LYS 28 1HG LYS 28 10.081 5.997 2.714 246 2HG LYS 28 2HG LYS 28 9.518 5.896 1.045 247 1HD LYS 28 1HD LYS 28 8.267 7.691 1.473 248 2HD LYS 28 2HD LYS 28 7.265 6.646 2.483 249 1HE LYS 28 1HE LYS 28 8.510 7.229 4.439 250 2HE LYS 28 2HE LYS 28 9.716 8.086 3.480 251 1HZ LYS 28 1HZ LYS 28 6.863 8.874 3.738 252 2HZ LYS 28 2HZ LYS 28 8.153 9.598 4.560 253 3HZ LYS 28 3HZ LYS 28 8.052 9.712 2.876 254 H GLN 29 H GLN 29 9.687 2.572 4.764 255 HA GLN 29 HA GLN 29 11.865 4.260 5.566 256 1HB GLN 29 1HB GLN 29 9.942 3.449 7.041 257 2HB GLN 29 2HB GLN 29 10.779 1.904 7.104 258 1HG GLN 29 1HG GLN 29 11.837 2.705 8.879 259 2HG GLN 29 2HG GLN 29 12.748 3.712 7.754 260 2HE2 GLN 29 2HE2 GLN 29 11.898 5.853 7.306 261 1HE2 GLN 29 1HE2 GLN 29 11.030 6.691 8.542 262 H SER 30 H SER 30 11.452 0.891 4.662 263 HA SER 30 HA SER 30 14.087 0.085 5.415 264 1HB SER 30 1HB SER 30 12.453 -1.640 5.292 265 2HB SER 30 2HB SER 30 11.970 -1.166 3.662 266 HG SER 30 HG SER 30 13.336 -3.021 3.693 267 H ILE 31 H ILE 31 12.575 1.139 2.399 268 HA ILE 31 HA ILE 31 14.914 0.703 0.808 269 HB ILE 31 HB ILE 31 12.770 0.624 -0.261 270 1HG1 ILE 31 1HG1 ILE 31 13.033 2.534 -1.981 271 2HG1 ILE 31 2HG1 ILE 31 14.487 2.957 -1.085 272 1HG2 ILE 31 1HG2 ILE 31 12.111 2.732 1.422 273 2HG2 ILE 31 2HG2 ILE 31 12.055 3.425 -0.198 274 3HG2 ILE 31 3HG2 ILE 31 11.084 2.005 0.187 275 1HD1 ILE 31 1HD1 ILE 31 15.042 0.420 -1.430 276 2HD1 ILE 31 2HD1 ILE 31 13.909 0.588 -2.771 277 3HD1 ILE 31 3HD1 ILE 31 15.349 1.605 -2.700 278 H LYS 32 H LYS 32 13.615 3.379 2.644 279 HA LYS 32 HA LYS 32 15.449 5.295 1.500 280 1HB LYS 32 1HB LYS 32 13.164 5.907 2.315 281 2HB LYS 32 2HB LYS 32 13.709 5.582 3.954 282 1HG LYS 32 1HG LYS 32 14.450 7.657 4.107 283 2HG LYS 32 2HG LYS 32 15.579 7.346 2.787 284 1HD LYS 32 1HD LYS 32 12.771 7.872 2.027 285 2HD LYS 32 2HD LYS 32 13.677 9.237 2.684 286 1HE LYS 32 1HE LYS 32 15.449 8.815 1.015 287 2HE LYS 32 2HE LYS 32 14.466 7.522 0.331 288 1HZ LYS 32 1HZ LYS 32 12.727 9.526 0.281 289 2HZ LYS 32 2HZ LYS 32 14.162 10.403 0.102 290 3HZ LYS 32 3HZ LYS 32 13.775 9.182 -1.002 291 H LYS 33 H LYS 33 15.406 3.080 4.149 292 HA LYS 33 HA LYS 33 17.524 4.417 5.591 293 1HB LYS 33 1HB LYS 33 15.831 3.212 6.854 294 2HB LYS 33 2HB LYS 33 16.219 1.722 6.006 295 1HG LYS 33 1HG LYS 33 18.389 1.639 7.028 296 2HG LYS 33 2HG LYS 33 18.145 3.224 7.766 297 1HD LYS 33 1HD LYS 33 16.110 2.172 8.908 298 2HD LYS 33 2HD LYS 33 16.792 0.621 8.417 299 1HE LYS 33 1HE LYS 33 18.968 1.601 9.518 300 2HE LYS 33 2HE LYS 33 17.815 2.615 10.383 301 1HZ LYS 33 1HZ LYS 33 17.777 -0.355 10.318 302 2HZ LYS 33 2HZ LYS 33 18.340 0.588 11.603 303 3HZ LYS 33 3HZ LYS 33 16.704 0.633 11.177 304 H LEU 34 H LEU 34 17.205 1.772 3.302 305 HA LEU 34 HA LEU 34 19.963 0.961 3.702 306 1HB LEU 34 1HB LEU 34 17.886 0.035 1.718 307 2HB LEU 34 2HB LEU 34 19.488 -0.658 1.888 308 HG LEU 34 HG LEU 34 17.725 -0.584 4.289 309 1HD1 LEU 34 1HD1 LEU 34 16.416 -1.434 2.263 310 2HD1 LEU 34 2HD1 LEU 34 17.518 -2.812 2.294 311 3HD1 LEU 34 3HD1 LEU 34 16.490 -2.473 3.687 312 1HD2 LEU 34 1HD2 LEU 34 20.069 -1.349 4.407 313 2HD2 LEU 34 2HD2 LEU 34 18.916 -2.616 4.827 314 3HD2 LEU 34 3HD2 LEU 34 19.689 -2.618 3.242 315 H LYS 35 H LYS 35 18.076 2.967 1.599 316 HA LYS 35 HA LYS 35 20.153 3.189 -0.404 317 1HB LYS 35 1HB LYS 35 17.652 3.336 -0.864 318 2HB LYS 35 2HB LYS 35 17.703 4.929 -0.123 319 1HG LYS 35 1HG LYS 35 19.729 4.551 -2.184 320 2HG LYS 35 2HG LYS 35 18.075 4.384 -2.778 321 1HD LYS 35 1HD LYS 35 18.156 6.627 -2.948 322 2HD LYS 35 2HD LYS 35 17.848 6.590 -1.211 323 1HE LYS 35 1HE LYS 35 19.952 7.234 -0.690 324 2HE LYS 35 2HE LYS 35 20.670 6.334 -2.025 325 1HZ LYS 35 1HZ LYS 35 19.051 8.623 -2.774 326 2HZ LYS 35 2HZ LYS 35 20.490 8.986 -1.962 327 3HZ LYS 35 3HZ LYS 35 20.531 8.093 -3.398 328 H GLN 36 H GLN 36 19.057 4.886 2.435 329 HA GLN 36 HA GLN 36 20.675 7.227 1.869 330 1HB GLN 36 1HB GLN 36 18.573 7.592 2.998 331 2HB GLN 36 2HB GLN 36 18.998 6.442 4.257 332 1HG GLN 36 1HG GLN 36 19.208 8.759 5.005 333 2HG GLN 36 2HG GLN 36 20.748 7.902 5.052 334 2HE2 GLN 36 2HE2 GLN 36 19.347 10.743 4.277 335 1HE2 GLN 36 1HE2 GLN 36 20.481 11.331 3.113 336 H SER 37 H SER 37 20.844 4.289 3.730 337 HA SER 37 HA SER 37 23.201 5.141 5.187 338 1HB SER 37 1HB SER 37 21.873 2.421 5.073 339 2HB SER 37 2HB SER 37 23.123 2.920 6.214 340 HG SER 37 HG SER 37 21.445 4.697 6.651 341 H GLU 38 H GLU 38 22.406 3.414 2.294 342 HA GLU 38 HA GLU 38 25.055 2.250 2.043 343 1HB GLU 38 1HB GLU 38 23.007 1.039 1.285 344 2HB GLU 38 2HB GLU 38 22.788 2.265 0.043 345 1HG GLU 38 1HG GLU 38 25.455 1.193 -0.051 346 2HG GLU 38 2HG GLU 38 24.257 -0.097 -0.140 347 H ASP 39 H ASP 39 23.319 5.061 1.020 348 HA ASP 39 HA ASP 39 25.224 5.700 -1.081 349 1HB ASP 39 1HB ASP 39 22.908 6.259 -1.501 350 2HB ASP 39 2HB ASP 39 22.818 7.188 -0.008 351 H ASP 40 H ASP 40 24.640 6.425 2.254 352 HA ASP 40 HA ASP 40 27.056 8.071 2.292 353 1HB ASP 40 1HB ASP 40 24.852 9.462 2.200 354 2HB ASP 40 2HB ASP 40 24.674 8.972 3.882 355 H ASP 41 H ASP 41 27.166 5.549 3.063 356 HA ASP 41 HA ASP 41 26.456 5.074 5.777 357 1HB ASP 41 1HB ASP 41 27.205 3.467 3.728 358 2HB ASP 41 2HB ASP 41 28.713 3.540 4.635 359 H1 ALA 1 H1 ALA 1 32.824 -1.845 -5.879 360 H2 ALA 1 H2 ALA 1 32.748 -1.441 -7.545 361 H3 ALA 1 H3 ALA 1 32.409 -0.252 -6.360 362 HA ALA 1 HA ALA 1 30.376 -0.965 -5.984 363 1HB ALA 1 1HB ALA 1 29.364 -1.917 -8.070 364 2HB ALA 1 2HB ALA 1 30.325 -0.457 -8.306 365 3HB ALA 1 3HB ALA 1 30.995 -2.032 -8.730 366 H LEU 2 H LEU 2 31.750 -2.650 -4.459 367 HA LEU 2 HA LEU 2 31.213 -5.404 -5.128 368 1HB LEU 2 1HB LEU 2 32.526 -3.950 -2.892 369 2HB LEU 2 2HB LEU 2 31.886 -5.543 -2.543 370 HG LEU 2 HG LEU 2 33.384 -5.726 -4.954 371 1HD1 LEU 2 1HD1 LEU 2 34.570 -3.978 -2.875 372 2HD1 LEU 2 2HD1 LEU 2 35.619 -5.175 -3.635 373 3HD1 LEU 2 3HD1 LEU 2 34.792 -3.973 -4.625 374 1HD2 LEU 2 1HD2 LEU 2 33.298 -6.905 -2.270 375 2HD2 LEU 2 2HD2 LEU 2 33.466 -7.677 -3.847 376 3HD2 LEU 2 3HD2 LEU 2 34.875 -6.971 -3.056 377 H LYS 3 H LYS 3 30.302 -6.593 -2.902 378 HA LYS 3 HA LYS 3 28.284 -7.246 -2.036 379 1HB LYS 3 1HB LYS 3 29.234 -4.938 -0.778 380 2HB LYS 3 2HB LYS 3 27.516 -4.646 -1.011 381 1HG LYS 3 1HG LYS 3 27.278 -5.751 0.913 382 2HG LYS 3 2HG LYS 3 27.509 -7.199 -0.071 383 1HD LYS 3 1HD LYS 3 30.043 -6.741 0.365 384 2HD LYS 3 2HD LYS 3 29.440 -5.797 1.728 385 1HE LYS 3 1HE LYS 3 28.542 -7.651 2.783 386 2HE LYS 3 2HE LYS 3 28.456 -8.584 1.290 387 1HZ LYS 3 1HZ LYS 3 30.953 -7.861 2.727 388 2HZ LYS 3 2HZ LYS 3 30.215 -9.382 2.748 389 3HZ LYS 3 3HZ LYS 3 30.860 -8.776 1.307 390 H LYS 4 H LYS 4 27.342 -7.501 -4.191 391 HA LYS 4 HA LYS 4 25.491 -5.392 -5.003 392 1HB LYS 4 1HB LYS 4 25.179 -6.707 -7.037 393 2HB LYS 4 2HB LYS 4 26.887 -6.425 -6.734 394 1HG LYS 4 1HG LYS 4 27.034 -8.619 -7.206 395 2HG LYS 4 2HG LYS 4 26.605 -8.786 -5.502 396 1HD LYS 4 1HD LYS 4 24.408 -9.354 -5.980 397 2HD LYS 4 2HD LYS 4 24.462 -8.618 -7.583 398 1HE LYS 4 1HE LYS 4 25.983 -10.397 -8.330 399 2HE LYS 4 2HE LYS 4 25.886 -11.138 -6.733 400 1HZ LYS 4 1HZ LYS 4 23.314 -10.984 -7.324 401 2HZ LYS 4 2HZ LYS 4 23.934 -11.116 -8.892 402 3HZ LYS 4 3HZ LYS 4 24.268 -12.315 -7.746 403 H HIS 5 H HIS 5 25.147 -7.166 -2.596 404 HA HIS 5 HA HIS 5 22.665 -8.550 -3.330 405 1HB HIS 5 1HB HIS 5 23.888 -8.711 -0.599 406 2HB HIS 5 2HB HIS 5 22.934 -9.910 -1.464 407 HD1 HIS 5 HD1 HIS 5 24.781 -9.791 -4.080 408 HD2 HIS 5 HD2 HIS 5 26.036 -10.415 -0.169 409 HE1 HIS 5 HE1 HIS 5 26.981 -10.995 -4.265 410 HE2 HIS 5 HE2 HIS 5 27.723 -11.364 -1.885 411 H HIS 6 H HIS 6 23.966 -5.962 -1.383 412 HA HIS 6 HA HIS 6 21.568 -5.465 0.092 413 1HB HIS 6 1HB HIS 6 24.198 -4.103 -0.246 414 2HB HIS 6 2HB HIS 6 22.851 -3.148 0.366 415 HD1 HIS 6 HD1 HIS 6 23.435 -6.768 1.252 416 HD2 HIS 6 HD2 HIS 6 23.700 -2.998 2.980 417 HE1 HIS 6 HE1 HIS 6 23.854 -7.178 3.698 418 HE2 HIS 6 HE2 HIS 6 24.012 -4.883 4.725 419 H GLU 7 H GLU 7 23.028 -4.127 -2.838 420 HA GLU 7 HA GLU 7 21.134 -2.040 -3.169 421 1HB GLU 7 1HB GLU 7 22.722 -3.369 -5.366 422 2HB GLU 7 2HB GLU 7 22.078 -1.734 -5.349 423 1HG GLU 7 1HG GLU 7 23.866 -0.933 -4.304 424 2HG GLU 7 2HG GLU 7 23.857 -2.236 -3.116 425 H ASN 8 H ASN 8 21.229 -5.402 -4.123 426 HA ASN 8 HA ASN 8 19.074 -5.289 -5.973 427 1HB ASN 8 1HB ASN 8 20.781 -7.325 -4.807 428 2HB ASN 8 2HB ASN 8 19.110 -7.872 -4.901 429 2HD2 ASN 8 2HD2 ASN 8 20.859 -9.211 -6.363 430 1HD2 ASN 8 1HD2 ASN 8 20.713 -8.828 -8.041 431 H GLU 9 H GLU 9 19.313 -6.067 -2.528 432 HA GLU 9 HA GLU 9 16.628 -6.773 -2.124 433 1HB GLU 9 1HB GLU 9 18.600 -7.096 -0.536 434 2HB GLU 9 2HB GLU 9 18.369 -5.417 -0.069 435 1HG GLU 9 1HG GLU 9 15.906 -6.184 0.347 436 2HG GLU 9 2HG GLU 9 16.638 -7.784 0.443 437 H ILE 10 H ILE 10 18.272 -3.629 -1.811 438 HA ILE 10 HA ILE 10 15.918 -2.257 -1.010 439 HB ILE 10 HB ILE 10 17.107 -0.207 -1.383 440 1HG1 ILE 10 1HG1 ILE 10 19.175 -1.885 -2.817 441 2HG1 ILE 10 2HG1 ILE 10 18.111 -0.691 -3.555 442 1HG2 ILE 10 1HG2 ILE 10 17.694 -1.528 0.590 443 2HG2 ILE 10 2HG2 ILE 10 18.995 -2.297 -0.318 444 3HG2 ILE 10 3HG2 ILE 10 19.055 -0.566 0.012 445 1HD1 ILE 10 1HD1 ILE 10 19.480 0.587 -1.441 446 2HD1 ILE 10 2HD1 ILE 10 20.667 -0.318 -2.385 447 3HD1 ILE 10 3HD1 ILE 10 19.629 0.867 -3.178 448 H SER 11 H SER 11 17.235 -3.221 -4.068 449 HA SER 11 HA SER 11 15.880 -1.440 -5.759 450 1HB SER 11 1HB SER 11 17.471 -3.775 -6.062 451 2HB SER 11 2HB SER 11 15.980 -4.044 -6.962 452 HG SER 11 HG SER 11 17.234 -2.980 -8.372 453 H HIS 12 H HIS 12 14.935 -4.544 -4.340 454 HA HIS 12 HA HIS 12 12.391 -4.639 -5.603 455 1HB HIS 12 1HB HIS 12 12.722 -6.747 -4.880 456 2HB HIS 12 2HB HIS 12 13.920 -6.235 -3.704 457 HD1 HIS 12 HD1 HIS 12 10.278 -7.040 -4.055 458 HD2 HIS 12 HD2 HIS 12 12.987 -5.972 -1.095 459 HE1 HIS 12 HE1 HIS 12 9.082 -7.438 -1.878 460 HE2 HIS 12 HE2 HIS 12 10.741 -6.784 -0.096 461 H HIS 13 H HIS 13 13.574 -3.370 -2.524 462 HA HIS 13 HA HIS 13 11.079 -2.759 -1.378 463 1HB HIS 13 1HB HIS 13 13.682 -1.268 -1.001 464 2HB HIS 13 2HB HIS 13 12.289 -1.221 0.072 465 HD1 HIS 13 HD1 HIS 13 11.879 -4.417 -0.046 466 HD2 HIS 13 HD2 HIS 13 15.342 -2.341 0.917 467 HE1 HIS 13 HE1 HIS 13 13.239 -6.000 1.361 468 HE2 HIS 13 HE2 HIS 13 15.336 -4.722 1.934 469 H ALA 14 H ALA 14 12.935 -1.227 -3.867 470 HA ALA 14 HA ALA 14 11.698 1.336 -3.723 471 1HB ALA 14 1HB ALA 14 13.178 -0.026 -5.973 472 2HB ALA 14 2HB ALA 14 13.845 1.113 -4.803 473 3HB ALA 14 3HB ALA 14 12.659 1.660 -5.990 474 H LYS 15 H LYS 15 11.304 -1.434 -5.921 475 HA LYS 15 HA LYS 15 8.985 -0.356 -7.176 476 1HB LYS 15 1HB LYS 15 9.951 -3.222 -7.062 477 2HB LYS 15 2HB LYS 15 8.739 -2.590 -8.169 478 1HG LYS 15 1HG LYS 15 10.718 -0.929 -8.778 479 2HG LYS 15 2HG LYS 15 11.684 -2.290 -8.201 480 1HD LYS 15 1HD LYS 15 11.438 -3.201 -10.219 481 2HD LYS 15 2HD LYS 15 9.734 -3.436 -9.828 482 1HE LYS 15 1HE LYS 15 9.508 -2.238 -11.753 483 2HE LYS 15 2HE LYS 15 9.588 -0.908 -10.597 484 1HZ LYS 15 1HZ LYS 15 12.196 -1.437 -11.227 485 2HZ LYS 15 2HZ LYS 15 11.388 -1.583 -12.705 486 3HZ LYS 15 3HZ LYS 15 11.268 -0.151 -11.812 487 H GLU 16 H GLU 16 9.490 -1.706 -4.122 488 HA GLU 16 HA GLU 16 6.873 -2.906 -3.872 489 1HB GLU 16 1HB GLU 16 9.280 -2.653 -2.128 490 2HB GLU 16 2HB GLU 16 7.724 -2.936 -1.361 491 1HG GLU 16 1HG GLU 16 9.145 -4.682 -3.349 492 2HG GLU 16 2HG GLU 16 8.754 -5.043 -1.669 493 H ILE 17 H ILE 17 8.531 0.056 -2.845 494 HA ILE 17 HA ILE 17 6.329 0.956 -1.230 495 HB ILE 17 HB ILE 17 8.484 1.795 -0.647 496 1HG1 ILE 17 1HG1 ILE 17 6.828 3.962 -1.961 497 2HG1 ILE 17 2HG1 ILE 17 6.705 3.403 -0.297 498 1HG2 ILE 17 1HG2 ILE 17 8.704 2.348 -3.549 499 2HG2 ILE 17 2HG2 ILE 17 9.538 3.443 -2.449 500 3HG2 ILE 17 3HG2 ILE 17 9.901 1.719 -2.416 501 1HD1 ILE 17 1HD1 ILE 17 9.202 4.163 -0.180 502 2HD1 ILE 17 2HD1 ILE 17 8.748 5.149 -1.569 503 3HD1 ILE 17 3HD1 ILE 17 7.895 5.336 -0.037 504 H GLU 18 H GLU 18 7.351 1.337 -4.561 505 HA GLU 18 HA GLU 18 5.450 3.410 -5.154 506 1HB GLU 18 1HB GLU 18 7.285 1.697 -6.807 507 2HB GLU 18 2HB GLU 18 6.066 2.705 -7.575 508 1HG GLU 18 1HG GLU 18 7.047 4.660 -6.359 509 2HG GLU 18 2HG GLU 18 8.357 3.597 -5.847 510 H ARG 19 H ARG 19 5.626 -0.093 -5.594 511 HA ARG 19 HA ARG 19 3.145 -0.265 -7.005 512 1HB ARG 19 1HB ARG 19 5.096 -1.940 -7.033 513 2HB ARG 19 2HB ARG 19 4.450 -2.527 -5.506 514 1HG ARG 19 1HG ARG 19 2.323 -3.034 -6.604 515 2HG ARG 19 2HG ARG 19 2.983 -2.457 -8.135 516 1HD ARG 19 1HD ARG 19 3.428 -4.666 -8.399 517 2HD ARG 19 2HD ARG 19 4.883 -4.218 -7.511 518 HE ARG 19 HE ARG 19 4.191 -5.630 -5.872 519 1HH1 ARG 19 1HH1 ARG 19 1.379 -4.493 -7.584 520 2HH1 ARG 19 2HH1 ARG 19 0.268 -5.440 -6.651 521 1HH2 ARG 19 1HH2 ARG 19 2.737 -6.881 -4.637 522 2HH2 ARG 19 2HH2 ARG 19 1.041 -6.797 -4.975 523 H LEU 20 H LEU 20 4.086 -0.190 -3.675 524 HA LEU 20 HA LEU 20 1.676 -1.336 -2.641 525 1HB LEU 20 1HB LEU 20 4.090 -0.041 -1.530 526 2HB LEU 20 2HB LEU 20 2.638 0.108 -0.569 527 HG LEU 20 HG LEU 20 4.194 -1.842 -0.041 528 1HD1 LEU 20 1HD1 LEU 20 1.903 -1.634 0.807 529 2HD1 LEU 20 2HD1 LEU 20 1.301 -2.437 -0.643 530 3HD1 LEU 20 3HD1 LEU 20 2.339 -3.312 0.484 531 1HD2 LEU 20 1HD2 LEU 20 3.861 -2.348 -2.763 532 2HD2 LEU 20 2HD2 LEU 20 4.625 -3.395 -1.569 533 3HD2 LEU 20 3HD2 LEU 20 2.913 -3.589 -1.943 534 H GLN 21 H GLN 21 2.873 1.924 -3.267 535 HA GLN 21 HA GLN 21 0.749 3.327 -2.054 536 1HB GLN 21 1HB GLN 21 2.950 3.946 -3.909 537 2HB GLN 21 2HB GLN 21 1.541 4.983 -4.080 538 1HG GLN 21 1HG GLN 21 1.668 5.399 -1.610 539 2HG GLN 21 2HG GLN 21 3.215 4.552 -1.622 540 2HE2 GLN 21 2HE2 GLN 21 1.620 7.018 -3.623 541 1HE2 GLN 21 1HE2 GLN 21 2.959 8.108 -3.647 542 H LYS 22 H LYS 22 1.277 2.275 -5.410 543 HA LYS 22 HA LYS 22 -1.138 3.321 -6.434 544 1HB LYS 22 1HB LYS 22 1.019 2.332 -7.615 545 2HB LYS 22 2HB LYS 22 0.066 0.854 -7.608 546 1HG LYS 22 1HG LYS 22 -1.399 3.195 -8.559 547 2HG LYS 22 2HG LYS 22 0.003 2.771 -9.545 548 1HD LYS 22 1HD LYS 22 -2.028 0.726 -8.693 549 2HD LYS 22 2HD LYS 22 -2.231 1.692 -10.156 550 1HE LYS 22 1HE LYS 22 -0.697 0.510 -11.282 551 2HE LYS 22 2HE LYS 22 0.416 0.483 -9.915 552 1HZ LYS 22 1HZ LYS 22 -1.991 -1.235 -10.017 553 2HZ LYS 22 2HZ LYS 22 -0.511 -1.725 -10.671 554 3HZ LYS 22 3HZ LYS 22 -0.635 -1.391 -9.017 555 H GLU 23 H GLU 23 -0.329 0.363 -4.779 556 HA GLU 23 HA GLU 23 -2.678 -1.086 -5.430 557 1HB GLU 23 1HB GLU 23 -0.311 -1.556 -3.976 558 2HB GLU 23 2HB GLU 23 -1.634 -1.811 -2.845 559 1HG GLU 23 1HG GLU 23 -2.332 -3.677 -3.874 560 2HG GLU 23 2HG GLU 23 -1.995 -3.044 -5.484 561 H ILE 24 H ILE 24 -1.839 1.149 -2.835 562 HA ILE 24 HA ILE 24 -4.149 0.676 -1.268 563 HB ILE 24 HB ILE 24 -3.444 2.320 0.143 564 1HG1 ILE 24 1HG1 ILE 24 -2.090 4.371 -0.732 565 2HG1 ILE 24 2HG1 ILE 24 -2.745 3.918 -2.304 566 1HG2 ILE 24 1HG2 ILE 24 -1.446 0.844 -0.788 567 2HG2 ILE 24 2HG2 ILE 24 -0.825 2.435 -1.225 568 3HG2 ILE 24 3HG2 ILE 24 -1.221 2.073 0.456 569 1HD1 ILE 24 1HD1 ILE 24 -4.852 3.933 -0.381 570 2HD1 ILE 24 2HD1 ILE 24 -3.962 5.455 -0.294 571 3HD1 ILE 24 3HD1 ILE 24 -4.653 4.925 -1.827 572 H GLU 25 H GLU 25 -3.412 2.953 -3.858 573 HA GLU 25 HA GLU 25 -5.746 4.487 -3.765 574 1HB GLU 25 1HB GLU 25 -3.623 4.851 -5.162 575 2HB GLU 25 2HB GLU 25 -4.343 3.747 -6.326 576 1HG GLU 25 1HG GLU 25 -5.232 5.578 -7.226 577 2HG GLU 25 2HG GLU 25 -6.380 5.502 -5.890 578 H ARG 26 H ARG 26 -5.046 1.466 -5.488 579 HA ARG 26 HA ARG 26 -7.420 1.228 -6.919 580 1HB ARG 26 1HB ARG 26 -5.339 -0.639 -5.944 581 2HB ARG 26 2HB ARG 26 -6.892 -1.363 -6.341 582 1HG ARG 26 1HG ARG 26 -6.017 0.483 -8.390 583 2HG ARG 26 2HG ARG 26 -4.832 -0.792 -8.095 584 1HD ARG 26 1HD ARG 26 -6.295 -1.601 -9.775 585 2HD ARG 26 2HD ARG 26 -6.724 -2.440 -8.285 586 HE ARG 26 HE ARG 26 -8.286 -0.081 -8.725 587 1HH1 ARG 26 1HH1 ARG 26 -7.964 -3.457 -9.515 588 2HH1 ARG 26 2HH1 ARG 26 -9.645 -3.667 -9.874 589 1HH2 ARG 26 1HH2 ARG 26 -10.503 -0.346 -9.197 590 2HH2 ARG 26 2HH2 ARG 26 -11.089 -1.898 -9.694 591 H HIS 27 H HIS 27 -6.628 0.019 -3.668 592 HA HIS 27 HA HIS 27 -9.169 -1.069 -3.122 593 1HB HIS 27 1HB HIS 27 -6.837 -0.222 -1.445 594 2HB HIS 27 2HB HIS 27 -8.360 -0.625 -0.659 595 HD1 HIS 27 HD1 HIS 27 -9.258 -3.119 -1.144 596 HD2 HIS 27 HD2 HIS 27 -5.288 -2.366 -2.113 597 HE1 HIS 27 HE1 HIS 27 -8.181 -5.381 -1.373 598 HE2 HIS 27 HE2 HIS 27 -5.779 -4.902 -1.960 599 H LYS 28 H LYS 28 -7.941 2.164 -3.066 600 HA LYS 28 HA LYS 28 -9.953 3.269 -1.369 601 1HB LYS 28 1HB LYS 28 -7.786 4.367 -1.643 602 2HB LYS 28 2HB LYS 28 -8.104 4.601 -3.355 603 1HG LYS 28 1HG LYS 28 -10.081 5.993 -2.708 604 2HG LYS 28 2HG LYS 28 -9.519 5.891 -1.038 605 1HD LYS 28 1HD LYS 28 -8.263 7.683 -1.464 606 2HD LYS 28 2HD LYS 28 -7.267 6.641 -2.482 607 1HE LYS 28 1HE LYS 28 -8.517 7.232 -4.431 608 2HE LYS 28 2HE LYS 28 -9.719 8.088 -3.464 609 1HZ LYS 28 1HZ LYS 28 -6.867 8.873 -3.724 610 2HZ LYS 28 2HZ LYS 28 -8.155 9.598 -4.548 611 3HZ LYS 28 3HZ LYS 28 -8.055 9.711 -2.863 612 H GLN 29 H GLN 29 -9.686 2.575 -4.761 613 HA GLN 29 HA GLN 29 -11.863 4.261 -5.562 614 1HB GLN 29 1HB GLN 29 -9.941 3.453 -7.036 615 2HB GLN 29 2HB GLN 29 -10.776 1.907 -7.099 616 1HG GLN 29 1HG GLN 29 -11.837 2.706 -8.875 617 2HG GLN 29 2HG GLN 29 -12.747 3.713 -7.750 618 2HE2 GLN 29 2HE2 GLN 29 -11.899 5.853 -7.301 619 1HE2 GLN 29 1HE2 GLN 29 -11.032 6.693 -8.537 620 H SER 30 H SER 30 -11.451 0.891 -4.662 621 HA SER 30 HA SER 30 -14.086 0.085 -5.415 622 1HB SER 30 1HB SER 30 -12.451 -1.639 -5.289 623 2HB SER 30 2HB SER 30 -11.971 -1.163 -3.661 624 HG SER 30 HG SER 30 -13.335 -3.020 -3.692 625 H ILE 31 H ILE 31 -12.576 1.134 -2.396 626 HA ILE 31 HA ILE 31 -14.916 0.699 -0.807 627 HB ILE 31 HB ILE 31 -12.771 0.618 0.260 628 1HG1 ILE 31 1HG1 ILE 31 -13.035 2.526 1.983 629 2HG1 ILE 31 2HG1 ILE 31 -14.491 2.949 1.088 630 1HG2 ILE 31 1HG2 ILE 31 -12.113 2.729 -1.419 631 2HG2 ILE 31 2HG2 ILE 31 -12.056 3.420 0.200 632 3HG2 ILE 31 3HG2 ILE 31 -11.085 2.001 -0.185 633 1HD1 ILE 31 1HD1 ILE 31 -15.043 0.412 1.430 634 2HD1 ILE 31 2HD1 ILE 31 -13.908 0.577 2.769 635 3HD1 ILE 31 3HD1 ILE 31 -15.349 1.594 2.704 636 H LYS 32 H LYS 32 -13.619 3.377 -2.643 637 HA LYS 32 HA LYS 32 -15.455 5.290 -1.497 638 1HB LYS 32 1HB LYS 32 -13.168 5.906 -2.306 639 2HB LYS 32 2HB LYS 32 -13.712 5.583 -3.947 640 1HG LYS 32 1HG LYS 32 -14.457 7.658 -4.097 641 2HG LYS 32 2HG LYS 32 -15.584 7.345 -2.777 642 1HD LYS 32 1HD LYS 32 -12.775 7.870 -2.019 643 2HD LYS 32 2HD LYS 32 -13.682 9.235 -2.673 644 1HE LYS 32 1HE LYS 32 -15.454 8.812 -1.004 645 2HE LYS 32 2HE LYS 32 -14.468 7.518 -0.321 646 1HZ LYS 32 1HZ LYS 32 -12.731 9.522 -0.272 647 2HZ LYS 32 2HZ LYS 32 -14.166 10.399 -0.092 648 3HZ LYS 32 3HZ LYS 32 -13.778 9.178 1.012 649 H LYS 33 H LYS 33 -15.407 3.077 -4.147 650 HA LYS 33 HA LYS 33 -17.523 4.415 -5.592 651 1HB LYS 33 1HB LYS 33 -15.832 3.214 -6.856 652 2HB LYS 33 2HB LYS 33 -16.213 1.724 -6.006 653 1HG LYS 33 1HG LYS 33 -18.382 1.628 -7.027 654 2HG LYS 33 2HG LYS 33 -18.148 3.214 -7.764 655 1HD LYS 33 1HD LYS 33 -16.105 2.174 -8.907 656 2HD LYS 33 2HD LYS 33 -16.785 0.619 -8.420 657 1HE LYS 33 1HE LYS 33 -18.962 1.601 -9.521 658 2HE LYS 33 2HE LYS 33 -17.806 2.613 -10.385 659 1HZ LYS 33 1HZ LYS 33 -17.771 -0.358 -10.316 660 2HZ LYS 33 2HZ LYS 33 -18.334 0.584 -11.604 661 3HZ LYS 33 3HZ LYS 33 -16.698 0.628 -11.177 662 H LEU 34 H LEU 34 -17.204 1.774 -3.301 663 HA LEU 34 HA LEU 34 -19.962 0.958 -3.700 664 1HB LEU 34 1HB LEU 34 -17.881 0.034 -1.720 665 2HB LEU 34 2HB LEU 34 -19.482 -0.661 -1.887 666 HG LEU 34 HG LEU 34 -17.721 -0.584 -4.291 667 1HD1 LEU 34 1HD1 LEU 34 -16.423 -1.439 -2.250 668 2HD1 LEU 34 2HD1 LEU 34 -17.512 -2.825 -2.312 669 3HD1 LEU 34 3HD1 LEU 34 -16.474 -2.456 -3.690 670 1HD2 LEU 34 1HD2 LEU 34 -20.066 -1.350 -4.406 671 2HD2 LEU 34 2HD2 LEU 34 -18.911 -2.615 -4.830 672 3HD2 LEU 34 3HD2 LEU 34 -19.683 -2.621 -3.243 673 H LYS 35 H LYS 35 -18.075 2.963 -1.596 674 HA LYS 35 HA LYS 35 -20.151 3.184 0.406 675 1HB LYS 35 1HB LYS 35 -17.649 3.332 0.867 676 2HB LYS 35 2HB LYS 35 -17.704 4.927 0.129 677 1HG LYS 35 1HG LYS 35 -19.729 4.544 2.189 678 2HG LYS 35 2HG LYS 35 -18.077 4.375 2.784 679 1HD LYS 35 1HD LYS 35 -18.159 6.616 2.960 680 2HD LYS 35 2HD LYS 35 -17.848 6.584 1.223 681 1HE LYS 35 1HE LYS 35 -19.951 7.227 0.699 682 2HE LYS 35 2HE LYS 35 -20.671 6.326 2.032 683 1HZ LYS 35 1HZ LYS 35 -19.056 8.616 2.787 684 2HZ LYS 35 2HZ LYS 35 -20.496 8.977 1.973 685 3HZ LYS 35 3HZ LYS 35 -20.536 8.082 3.408 686 H GLN 36 H GLN 36 -19.058 4.881 -2.432 687 HA GLN 36 HA GLN 36 -20.674 7.223 -1.863 688 1HB GLN 36 1HB GLN 36 -18.573 7.585 -2.998 689 2HB GLN 36 2HB GLN 36 -19.007 6.438 -4.259 690 1HG GLN 36 1HG GLN 36 -19.215 8.761 -4.995 691 2HG GLN 36 2HG GLN 36 -20.754 7.904 -5.047 692 2HE2 GLN 36 2HE2 GLN 36 -19.367 10.745 -4.270 693 1HE2 GLN 36 1HE2 GLN 36 -20.496 11.325 -3.097 694 H SER 37 H SER 37 -20.841 4.290 -3.739 695 HA SER 37 HA SER 37 -23.205 5.138 -5.184 696 1HB SER 37 1HB SER 37 -21.692 2.521 -5.095 697 2HB SER 37 2HB SER 37 -23.149 2.767 -6.057 698 HG SER 37 HG SER 37 -21.020 4.573 -6.317 699 H GLU 38 H GLU 38 -22.401 3.404 -2.296 700 HA GLU 38 HA GLU 38 -25.048 2.239 -2.037 701 1HB GLU 38 1HB GLU 38 -23.002 1.031 -1.278 702 2HB GLU 38 2HB GLU 38 -22.773 2.264 -0.046 703 1HG GLU 38 1HG GLU 38 -25.441 1.200 0.072 704 2HG GLU 38 2HG GLU 38 -24.246 -0.092 0.161 705 H ASP 39 H ASP 39 -23.315 5.054 -1.015 706 HA ASP 39 HA ASP 39 -25.221 5.692 1.084 707 1HB ASP 39 1HB ASP 39 -22.906 6.252 1.506 708 2HB ASP 39 2HB ASP 39 -22.815 7.182 0.014 709 H ASP 40 H ASP 40 -24.644 6.412 -2.251 710 HA ASP 40 HA ASP 40 -27.057 8.060 -2.287 711 1HB ASP 40 1HB ASP 40 -24.852 9.448 -2.198 712 2HB ASP 40 2HB ASP 40 -24.680 8.961 -3.881 713 H ASP 41 H ASP 41 -27.165 5.535 -3.059 714 HA ASP 41 HA ASP 41 -26.459 5.063 -5.775 715 1HB ASP 41 1HB ASP 41 -27.205 3.455 -3.726 716 2HB ASP 41 2HB ASP 41 -28.713 3.526 -4.631 No H/Q in entry = 716 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 -25.889 5.262 6.797 2 H2 ALA 1 H2 ALA 1 -25.568 6.038 8.294 3 H3 ALA 1 H3 ALA 1 -25.699 4.331 8.226 4 HA ALA 1 HA ALA 1 -27.669 5.084 9.123 5 1HB ALA 1 1HB ALA 1 -28.697 7.021 8.609 6 2HB ALA 1 2HB ALA 1 -27.127 7.436 7.921 7 3HB ALA 1 3HB ALA 1 -28.416 6.836 6.878 8 H LEU 2 H LEU 2 -29.015 3.450 8.818 9 HA LEU 2 HA LEU 2 -30.237 1.802 7.832 10 1HB LEU 2 1HB LEU 2 -30.483 3.694 5.499 11 2HB LEU 2 2HB LEU 2 -31.589 2.411 5.952 12 HG LEU 2 HG LEU 2 -32.659 4.393 6.609 13 1HD1 LEU 2 1HD1 LEU 2 -32.214 2.495 8.400 14 2HD1 LEU 2 2HD1 LEU 2 -31.383 3.814 9.225 15 3HD1 LEU 2 3HD1 LEU 2 -33.089 3.973 8.805 16 1HD2 LEU 2 1HD2 LEU 2 -30.390 5.667 6.460 17 2HD2 LEU 2 2HD2 LEU 2 -31.675 6.275 7.503 18 3HD2 LEU 2 3HD2 LEU 2 -30.328 5.371 8.198 19 H LYS 3 H LYS 3 -30.389 0.334 5.892 20 HA LYS 3 HA LYS 3 -29.323 -1.177 4.560 21 1HB LYS 3 1HB LYS 3 -29.352 1.157 3.251 22 2HB LYS 3 2HB LYS 3 -27.611 0.939 3.369 23 1HG LYS 3 1HG LYS 3 -27.587 -0.747 1.883 24 2HG LYS 3 2HG LYS 3 -29.115 -1.416 2.457 25 1HD LYS 3 1HD LYS 3 -29.286 -0.564 0.157 26 2HD LYS 3 2HD LYS 3 -30.346 0.307 1.268 27 1HE LYS 3 1HE LYS 3 -28.306 1.932 1.466 28 2HE LYS 3 2HE LYS 3 -27.840 1.216 -0.077 29 1HZ LYS 3 1HZ LYS 3 -30.326 1.763 -0.647 30 2HZ LYS 3 2HZ LYS 3 -30.126 2.927 0.564 31 3HZ LYS 3 3HZ LYS 3 -29.118 2.938 -0.794 32 H LYS 4 H LYS 4 -28.087 -2.448 5.848 33 HA LYS 4 HA LYS 4 -25.376 -1.517 6.499 34 1HB LYS 4 1HB LYS 4 -25.502 -3.618 8.052 35 2HB LYS 4 2HB LYS 4 -26.303 -2.125 8.524 36 1HG LYS 4 1HG LYS 4 -28.428 -3.004 7.685 37 2HG LYS 4 2HG LYS 4 -27.620 -4.506 7.233 38 1HD LYS 4 1HD LYS 4 -28.366 -5.150 9.278 39 2HD LYS 4 2HD LYS 4 -26.870 -4.372 9.798 40 1HE LYS 4 1HE LYS 4 -28.924 -3.736 11.100 41 2HE LYS 4 2HE LYS 4 -28.015 -2.388 10.417 42 1HZ LYS 4 1HZ LYS 4 -30.275 -3.550 8.927 43 2HZ LYS 4 2HZ LYS 4 -30.567 -2.444 10.173 44 3HZ LYS 4 3HZ LYS 4 -29.631 -1.987 8.842 45 H HIS 5 H HIS 5 -26.388 -2.725 3.925 46 HA HIS 5 HA HIS 5 -24.930 -5.247 3.830 47 1HB HIS 5 1HB HIS 5 -26.249 -3.923 1.473 48 2HB HIS 5 2HB HIS 5 -25.959 -5.637 1.754 49 HD1 HIS 5 HD1 HIS 5 -27.950 -6.909 2.475 50 HD2 HIS 5 HD2 HIS 5 -28.266 -2.877 3.430 51 HE1 HIS 5 HE1 HIS 5 -30.242 -6.632 3.474 52 HE2 HIS 5 HE2 HIS 5 -30.412 -4.184 4.046 53 H HIS 6 H HIS 6 -24.999 -2.264 1.870 54 HA HIS 6 HA HIS 6 -22.527 -2.750 0.615 55 1HB HIS 6 1HB HIS 6 -22.694 -0.553 -0.272 56 2HB HIS 6 2HB HIS 6 -24.344 -1.151 -0.150 57 HD1 HIS 6 HD1 HIS 6 -25.001 -0.508 2.747 58 HD2 HIS 6 HD2 HIS 6 -22.967 2.096 0.228 59 HE1 HIS 6 HE1 HIS 6 -25.353 1.783 3.721 60 HE2 HIS 6 HE2 HIS 6 -24.114 3.345 2.181 61 H GLU 7 H GLU 7 -23.392 -1.176 3.619 62 HA GLU 7 HA GLU 7 -20.902 0.059 4.130 63 1HB GLU 7 1HB GLU 7 -23.391 -0.438 5.579 64 2HB GLU 7 2HB GLU 7 -21.974 -0.511 6.615 65 1HG GLU 7 1HG GLU 7 -21.957 1.772 4.808 66 2HG GLU 7 2HG GLU 7 -23.336 1.755 5.907 67 H ASN 8 H ASN 8 -22.109 -3.175 4.487 68 HA ASN 8 HA ASN 8 -20.148 -4.123 6.314 69 1HB ASN 8 1HB ASN 8 -22.301 -5.266 4.685 70 2HB ASN 8 2HB ASN 8 -20.907 -6.332 4.841 71 2HD2 ASN 8 2HD2 ASN 8 -23.623 -6.545 5.931 72 1HD2 ASN 8 1HD2 ASN 8 -23.429 -6.707 7.640 73 H GLU 9 H GLU 9 -20.521 -4.650 2.803 74 HA GLU 9 HA GLU 9 -17.927 -5.726 2.447 75 1HB GLU 9 1HB GLU 9 -19.636 -6.152 0.801 76 2HB GLU 9 2HB GLU 9 -19.839 -4.432 0.496 77 1HG GLU 9 1HG GLU 9 -18.182 -4.396 -0.981 78 2HG GLU 9 2HG GLU 9 -17.106 -5.303 0.081 79 H ILE 10 H ILE 10 -19.053 -2.542 2.918 80 HA ILE 10 HA ILE 10 -16.866 -1.205 1.607 81 HB ILE 10 HB ILE 10 -19.298 -0.390 3.129 82 1HG1 ILE 10 1HG1 ILE 10 -18.021 0.587 0.575 83 2HG1 ILE 10 2HG1 ILE 10 -19.327 -0.589 0.693 84 1HG2 ILE 10 1HG2 ILE 10 -16.798 1.127 3.281 85 2HG2 ILE 10 2HG2 ILE 10 -18.186 2.053 2.714 86 3HG2 ILE 10 3HG2 ILE 10 -18.257 1.223 4.268 87 1HD1 ILE 10 1HD1 ILE 10 -19.602 2.184 1.790 88 2HD1 ILE 10 2HD1 ILE 10 -19.939 1.806 0.101 89 3HD1 ILE 10 3HD1 ILE 10 -20.866 1.026 1.382 90 H SER 11 H SER 11 -17.655 -2.393 4.788 91 HA SER 11 HA SER 11 -15.611 -0.948 6.171 92 1HB SER 11 1HB SER 11 -17.746 -2.046 7.152 93 2HB SER 11 2HB SER 11 -16.807 -3.538 7.137 94 HG SER 11 HG SER 11 -15.177 -2.042 8.271 95 H HIS 12 H HIS 12 -15.883 -4.085 4.619 96 HA HIS 12 HA HIS 12 -13.393 -5.088 5.554 97 1HB HIS 12 1HB HIS 12 -14.483 -6.921 4.833 98 2HB HIS 12 2HB HIS 12 -15.565 -5.974 3.827 99 HD1 HIS 12 HD1 HIS 12 -12.387 -7.950 3.703 100 HD2 HIS 12 HD2 HIS 12 -14.889 -5.863 1.129 101 HE1 HIS 12 HE1 HIS 12 -11.643 -8.585 1.386 102 HE2 HIS 12 HE2 HIS 12 -13.171 -7.310 -0.160 103 H HIS 13 H HIS 13 -14.420 -3.573 2.485 104 HA HIS 13 HA HIS 13 -11.919 -3.648 1.224 105 1HB HIS 13 1HB HIS 13 -14.103 -1.577 0.927 106 2HB HIS 13 2HB HIS 13 -12.752 -1.800 -0.176 107 HD1 HIS 13 HD1 HIS 13 -13.027 -5.016 -0.108 108 HD2 HIS 13 HD2 HIS 13 -15.972 -2.227 -0.992 109 HE1 HIS 13 HE1 HIS 13 -14.710 -6.245 -1.519 110 HE2 HIS 13 HE2 HIS 13 -16.489 -4.538 -2.043 111 H ALA 14 H ALA 14 -13.272 -1.456 3.599 112 HA ALA 14 HA ALA 14 -11.389 0.623 3.350 113 1HB ALA 14 1HB ALA 14 -13.556 -0.045 5.098 114 2HB ALA 14 2HB ALA 14 -12.820 1.528 4.793 115 3HB ALA 14 3HB ALA 14 -12.170 0.481 6.054 116 H LYS 15 H LYS 15 -11.469 -2.255 5.417 117 HA LYS 15 HA LYS 15 -8.980 -1.693 6.681 118 1HB LYS 15 1HB LYS 15 -9.128 -3.920 7.593 119 2HB LYS 15 2HB LYS 15 -10.726 -3.187 7.643 120 1HG LYS 15 1HG LYS 15 -11.597 -4.648 6.156 121 2HG LYS 15 2HG LYS 15 -10.090 -4.794 5.249 122 1HD LYS 15 1HD LYS 15 -9.393 -6.555 6.461 123 2HD LYS 15 2HD LYS 15 -9.967 -5.859 7.977 124 1HE LYS 15 1HE LYS 15 -12.318 -6.431 7.099 125 2HE LYS 15 2HE LYS 15 -11.478 -7.475 5.953 126 1HZ LYS 15 1HZ LYS 15 -10.376 -8.502 7.945 127 2HZ LYS 15 2HZ LYS 15 -11.479 -7.659 8.910 128 3HZ LYS 15 3HZ LYS 15 -12.034 -8.806 7.796 129 H GLU 16 H GLU 16 -9.830 -2.870 3.591 130 HA GLU 16 HA GLU 16 -7.467 -4.439 3.157 131 1HB GLU 16 1HB GLU 16 -9.935 -3.954 1.792 132 2HB GLU 16 2HB GLU 16 -8.606 -3.657 0.680 133 1HG GLU 16 1HG GLU 16 -8.002 -5.826 0.603 134 2HG GLU 16 2HG GLU 16 -8.419 -6.116 2.291 135 H ILE 17 H ILE 17 -8.549 -1.172 2.192 136 HA ILE 17 HA ILE 17 -6.107 -0.646 0.760 137 HB ILE 17 HB ILE 17 -8.127 0.498 0.074 138 1HG1 ILE 17 1HG1 ILE 17 -6.014 2.294 1.272 139 2HG1 ILE 17 2HG1 ILE 17 -6.129 1.724 -0.389 140 1HG2 ILE 17 1HG2 ILE 17 -8.620 0.730 2.800 141 2HG2 ILE 17 2HG2 ILE 17 -8.393 2.385 2.236 142 3HG2 ILE 17 3HG2 ILE 17 -9.612 1.355 1.482 143 1HD1 ILE 17 1HD1 ILE 17 -8.386 3.028 -0.373 144 2HD1 ILE 17 2HD1 ILE 17 -7.651 3.879 0.986 145 3HD1 ILE 17 3HD1 ILE 17 -6.859 3.884 -0.591 146 H GLU 18 H GLU 18 -7.291 -0.165 4.005 147 HA GLU 18 HA GLU 18 -5.161 1.618 4.767 148 1HB GLU 18 1HB GLU 18 -7.301 1.802 5.893 149 2HB GLU 18 2HB GLU 18 -7.217 0.122 6.401 150 1HG GLU 18 1HG GLU 18 -4.980 1.855 7.231 151 2HG GLU 18 2HG GLU 18 -6.547 2.175 7.973 152 H ARG 19 H ARG 19 -5.802 -1.819 4.866 153 HA ARG 19 HA ARG 19 -3.650 -2.444 6.647 154 1HB ARG 19 1HB ARG 19 -5.506 -3.972 6.501 155 2HB ARG 19 2HB ARG 19 -5.279 -4.157 4.767 156 1HG ARG 19 1HG ARG 19 -3.427 -5.507 5.015 157 2HG ARG 19 2HG ARG 19 -3.076 -4.902 6.635 158 1HD ARG 19 1HD ARG 19 -4.985 -6.082 7.530 159 2HD ARG 19 2HD ARG 19 -5.459 -6.603 5.914 160 HE ARG 19 HE ARG 19 -3.396 -7.739 7.573 161 1HH1 ARG 19 1HH1 ARG 19 -4.607 -7.365 4.329 162 2HH1 ARG 19 2HH1 ARG 19 -3.823 -8.791 3.733 163 1HH2 ARG 19 1HH2 ARG 19 -2.359 -9.617 6.800 164 2HH2 ARG 19 2HH2 ARG 19 -2.545 -10.072 5.138 165 H LEU 20 H LEU 20 -4.079 -2.399 3.134 166 HA LEU 20 HA LEU 20 -1.524 -3.514 2.563 167 1HB LEU 20 1HB LEU 20 -3.268 -1.772 0.819 168 2HB LEU 20 2HB LEU 20 -1.920 -2.752 0.276 169 HG LEU 20 HG LEU 20 -4.173 -4.108 1.681 170 1HD1 LEU 20 1HD1 LEU 20 -4.871 -2.426 -0.278 171 2HD1 LEU 20 2HD1 LEU 20 -4.414 -3.825 -1.250 172 3HD1 LEU 20 3HD1 LEU 20 -5.663 -3.979 -0.015 173 1HD2 LEU 20 1HD2 LEU 20 -1.882 -4.806 0.057 174 2HD2 LEU 20 2HD2 LEU 20 -2.876 -5.820 1.101 175 3HD2 LEU 20 3HD2 LEU 20 -3.369 -5.520 -0.565 176 H GLN 21 H GLN 21 -2.772 -0.268 3.028 177 HA GLN 21 HA GLN 21 -0.536 1.165 2.107 178 1HB GLN 21 1HB GLN 21 -2.814 1.765 3.948 179 2HB GLN 21 2HB GLN 21 -1.461 2.886 3.884 180 1HG GLN 21 1HG GLN 21 -2.594 2.044 1.293 181 2HG GLN 21 2HG GLN 21 -3.608 3.071 2.305 182 2HE2 GLN 21 2HE2 GLN 21 -0.097 3.089 2.095 183 1HE2 GLN 21 1HE2 GLN 21 0.041 4.686 1.450 184 H LYS 22 H LYS 22 -1.361 -0.111 5.312 185 HA LYS 22 HA LYS 22 0.815 0.991 6.705 186 1HB LYS 22 1HB LYS 22 -1.140 -0.018 7.814 187 2HB LYS 22 2HB LYS 22 -0.646 -1.604 7.237 188 1HG LYS 22 1HG LYS 22 1.593 -0.930 8.503 189 2HG LYS 22 2HG LYS 22 0.454 0.049 9.429 190 1HD LYS 22 1HD LYS 22 0.665 -2.067 10.524 191 2HD LYS 22 2HD LYS 22 -0.925 -2.007 9.762 192 1HE LYS 22 1HE LYS 22 -0.218 -3.415 7.985 193 2HE LYS 22 2HE LYS 22 1.474 -3.276 8.460 194 1HZ LYS 22 1HZ LYS 22 0.252 -4.260 10.682 195 2HZ LYS 22 2HZ LYS 22 -0.546 -5.062 9.424 196 3HZ LYS 22 3HZ LYS 22 1.136 -5.164 9.558 197 H GLU 23 H GLU 23 0.443 -2.110 5.030 198 HA GLU 23 HA GLU 23 2.916 -3.224 5.688 199 1HB GLU 23 1HB GLU 23 0.742 -3.881 4.019 200 2HB GLU 23 2HB GLU 23 2.172 -3.922 2.996 201 1HG GLU 23 1HG GLU 23 3.245 -5.467 4.546 202 2HG GLU 23 2HG GLU 23 1.822 -5.418 5.585 203 H ILE 24 H ILE 24 2.009 -1.064 3.030 204 HA ILE 24 HA ILE 24 4.510 -1.152 1.719 205 HB ILE 24 HB ILE 24 3.730 0.439 0.267 206 1HG1 ILE 24 1HG1 ILE 24 1.696 1.985 1.272 207 2HG1 ILE 24 2HG1 ILE 24 2.749 1.816 2.673 208 1HG2 ILE 24 1HG2 ILE 24 1.904 -1.421 1.057 209 2HG2 ILE 24 2HG2 ILE 24 0.970 0.070 1.129 210 3HG2 ILE 24 3HG2 ILE 24 1.768 -0.397 -0.370 211 1HD1 ILE 24 1HD1 ILE 24 4.307 2.396 0.342 212 2HD1 ILE 24 2HD1 ILE 24 3.019 3.588 0.532 213 3HD1 ILE 24 3HD1 ILE 24 4.159 3.305 1.848 214 H GLU 25 H GLU 25 3.300 0.654 4.431 215 HA GLU 25 HA GLU 25 5.245 2.686 4.527 216 1HB GLU 25 1HB GLU 25 3.149 2.709 5.848 217 2HB GLU 25 2HB GLU 25 3.769 1.387 6.828 218 1HG GLU 25 1HG GLU 25 5.777 3.155 7.098 219 2HG GLU 25 2HG GLU 25 4.416 4.255 6.883 220 H ARG 26 H ARG 26 5.104 -0.539 5.994 221 HA ARG 26 HA ARG 26 7.494 -0.430 7.437 222 1HB ARG 26 1HB ARG 26 5.554 -2.309 7.074 223 2HB ARG 26 2HB ARG 26 6.878 -3.018 6.160 224 1HG ARG 26 1HG ARG 26 8.182 -2.337 8.411 225 2HG ARG 26 2HG ARG 26 6.569 -2.636 9.061 226 1HD ARG 26 1HD ARG 26 7.837 -4.594 7.188 227 2HD ARG 26 2HD ARG 26 8.264 -4.594 8.899 228 HE ARG 26 HE ARG 26 5.474 -4.616 8.680 229 1HH1 ARG 26 1HH1 ARG 26 8.207 -6.668 8.015 230 2HH1 ARG 26 2HH1 ARG 26 7.321 -8.141 8.238 231 1HH2 ARG 26 1HH2 ARG 26 4.297 -6.549 8.977 232 2HH2 ARG 26 2HH2 ARG 26 5.098 -8.072 8.784 233 H HIS 27 H HIS 27 6.888 -1.613 4.131 234 HA HIS 27 HA HIS 27 9.599 -2.169 3.546 235 1HB HIS 27 1HB HIS 27 7.067 -1.978 2.025 236 2HB HIS 27 2HB HIS 27 8.538 -1.713 1.093 237 HD1 HIS 27 HD1 HIS 27 10.438 -3.762 1.993 238 HD2 HIS 27 HD2 HIS 27 6.369 -4.561 1.728 239 HE1 HIS 27 HE1 HIS 27 10.255 -6.264 1.809 240 HE2 HIS 27 HE2 HIS 27 7.784 -6.725 1.650 241 H LYS 28 H LYS 28 7.809 0.758 3.714 242 HA LYS 28 HA LYS 28 9.515 2.269 1.961 243 1HB LYS 28 1HB LYS 28 7.151 2.877 2.281 244 2HB LYS 28 2HB LYS 28 7.464 3.196 3.980 245 1HG LYS 28 1HG LYS 28 9.130 4.933 3.218 246 2HG LYS 28 2HG LYS 28 8.469 4.721 1.596 247 1HD LYS 28 1HD LYS 28 6.952 6.261 2.151 248 2HD LYS 28 2HD LYS 28 6.227 5.031 3.188 249 1HE LYS 28 1HE LYS 28 6.983 5.996 5.079 250 2HE LYS 28 2HE LYS 28 8.519 6.461 4.350 251 1HZ LYS 28 1HZ LYS 28 7.372 8.287 3.231 252 2HZ LYS 28 2HZ LYS 28 5.920 7.851 3.981 253 3HZ LYS 28 3HZ LYS 28 7.220 8.402 4.913 254 H GLN 29 H GLN 29 9.417 1.441 5.323 255 HA GLN 29 HA GLN 29 11.191 3.524 6.189 256 1HB GLN 29 1HB GLN 29 9.500 2.312 7.644 257 2HB GLN 29 2HB GLN 29 10.594 0.936 7.623 258 1HG GLN 29 1HG GLN 29 12.346 2.676 8.455 259 2HG GLN 29 2HG GLN 29 10.917 3.596 8.927 260 2HE2 GLN 29 2HE2 GLN 29 9.940 3.107 10.779 261 1HE2 GLN 29 1HE2 GLN 29 10.300 1.735 11.766 262 H SER 30 H SER 30 11.483 0.138 5.260 263 HA SER 30 HA SER 30 14.247 -0.083 5.940 264 1HB SER 30 1HB SER 30 12.283 -1.885 5.328 265 2HB SER 30 2HB SER 30 13.235 -1.887 3.843 266 HG SER 30 HG SER 30 13.816 -3.318 5.790 267 H ILE 31 H ILE 31 12.470 0.602 2.956 268 HA ILE 31 HA ILE 31 14.833 0.698 1.331 269 HB ILE 31 HB ILE 31 12.691 0.110 0.342 270 1HG1 ILE 31 1HG1 ILE 31 12.651 1.944 -1.492 271 2HG1 ILE 31 2HG1 ILE 31 14.026 2.622 -0.625 272 1HG2 ILE 31 1HG2 ILE 31 11.614 2.020 1.932 273 2HG2 ILE 31 2HG2 ILE 31 11.604 2.836 0.369 274 3HG2 ILE 31 3HG2 ILE 31 10.789 1.284 0.559 275 1HD1 ILE 31 1HD1 ILE 31 15.071 0.306 -0.843 276 2HD1 ILE 31 2HD1 ILE 31 13.809 -0.005 -2.036 277 3HD1 ILE 31 3HD1 ILE 31 14.965 1.302 -2.296 278 H LYS 32 H LYS 32 13.034 2.950 3.260 279 HA LYS 32 HA LYS 32 14.212 5.295 2.061 280 1HB LYS 32 1HB LYS 32 11.991 5.478 3.008 281 2HB LYS 32 2HB LYS 32 12.571 4.919 4.572 282 1HG LYS 32 1HG LYS 32 13.939 6.934 4.786 283 2HG LYS 32 2HG LYS 32 13.349 7.495 3.220 284 1HD LYS 32 1HD LYS 32 12.167 8.520 5.149 285 2HD LYS 32 2HD LYS 32 11.099 7.636 4.058 286 1HE LYS 32 1HE LYS 32 10.959 5.795 5.555 287 2HE LYS 32 2HE LYS 32 12.262 6.430 6.558 288 1HZ LYS 32 1HZ LYS 32 9.590 7.680 6.205 289 2HZ LYS 32 2HZ LYS 32 10.097 6.807 7.564 290 3HZ LYS 32 3HZ LYS 32 10.837 8.279 7.178 291 H LYS 33 H LYS 33 14.944 3.093 4.626 292 HA LYS 33 HA LYS 33 16.771 4.826 6.003 293 1HB LYS 33 1HB LYS 33 16.004 1.943 6.199 294 2HB LYS 33 2HB LYS 33 17.490 2.482 6.969 295 1HG LYS 33 1HG LYS 33 16.322 3.975 8.387 296 2HG LYS 33 2HG LYS 33 14.826 3.776 7.473 297 1HD LYS 33 1HD LYS 33 14.251 1.986 8.669 298 2HD LYS 33 2HD LYS 33 15.822 1.230 8.399 299 1HE LYS 33 1HE LYS 33 15.409 3.410 10.427 300 2HE LYS 33 2HE LYS 33 15.165 1.706 10.812 301 1HZ LYS 33 1HZ LYS 33 17.679 2.389 9.520 302 2HZ LYS 33 2HZ LYS 33 17.487 2.940 11.108 303 3HZ LYS 33 3HZ LYS 33 17.365 1.288 10.764 304 H LEU 34 H LEU 34 17.043 2.194 3.646 305 HA LEU 34 HA LEU 34 19.908 2.242 3.633 306 1HB LEU 34 1HB LEU 34 17.986 0.479 2.754 307 2HB LEU 34 2HB LEU 34 18.609 1.141 1.256 308 HG LEU 34 HG LEU 34 20.207 -0.262 3.398 309 1HD1 LEU 34 1HD1 LEU 34 18.786 -1.176 1.086 310 2HD1 LEU 34 2HD1 LEU 34 20.516 -1.447 0.872 311 3HD1 LEU 34 3HD1 LEU 34 19.688 -2.106 2.283 312 1HD2 LEU 34 1HD2 LEU 34 21.325 1.696 2.180 313 2HD2 LEU 34 2HD2 LEU 34 22.155 0.140 2.172 314 3HD2 LEU 34 3HD2 LEU 34 21.260 0.669 0.747 315 H LYS 35 H LYS 35 17.361 3.784 1.801 316 HA LYS 35 HA LYS 35 19.156 4.803 -0.218 317 1HB LYS 35 1HB LYS 35 16.837 4.297 -0.799 318 2HB LYS 35 2HB LYS 35 16.267 5.460 0.388 319 1HG LYS 35 1HG LYS 35 17.671 7.160 -0.982 320 2HG LYS 35 2HG LYS 35 17.572 5.939 -2.252 321 1HD LYS 35 1HD LYS 35 15.678 7.077 -2.761 322 2HD LYS 35 2HD LYS 35 14.997 6.013 -1.529 323 1HE LYS 35 1HE LYS 35 15.936 8.066 -0.011 324 2HE LYS 35 2HE LYS 35 15.455 8.912 -1.481 325 1HZ LYS 35 1HZ LYS 35 13.714 7.096 0.099 326 2HZ LYS 35 2HZ LYS 35 13.649 8.786 0.130 327 3HZ LYS 35 3HZ LYS 35 13.257 7.950 -1.287 328 H GLN 36 H GLN 36 17.896 5.824 2.841 329 HA GLN 36 HA GLN 36 18.566 8.607 2.464 330 1HB GLN 36 1HB GLN 36 16.686 8.046 3.890 331 2HB GLN 36 2HB GLN 36 17.717 7.056 4.915 332 1HG GLN 36 1HG GLN 36 18.765 8.899 5.856 333 2HG GLN 36 2HG GLN 36 18.284 9.967 4.540 334 2HE2 GLN 36 2HE2 GLN 36 16.210 7.697 6.230 335 1HE2 GLN 36 1HE2 GLN 36 15.182 8.883 6.953 336 H SER 37 H SER 37 20.094 5.745 3.674 337 HA SER 37 HA SER 37 22.142 7.124 5.148 338 1HB SER 37 1HB SER 37 21.392 4.331 4.616 339 2HB SER 37 2HB SER 37 23.132 4.600 4.727 340 HG SER 37 HG SER 37 21.454 5.733 6.665 341 H GLU 38 H GLU 38 21.672 6.042 1.890 342 HA GLU 38 HA GLU 38 24.473 6.225 1.189 343 1HB GLU 38 1HB GLU 38 23.091 4.571 0.064 344 2HB GLU 38 2HB GLU 38 22.005 5.828 -0.509 345 1HG GLU 38 1HG GLU 38 24.246 6.761 -1.566 346 2HG GLU 38 2HG GLU 38 24.700 5.060 -1.469 347 H ASP 39 H ASP 39 21.624 8.226 1.066 348 HA ASP 39 HA ASP 39 22.893 10.203 -0.642 349 1HB ASP 39 1HB ASP 39 20.360 9.535 -0.564 350 2HB ASP 39 2HB ASP 39 20.299 10.663 0.787 351 H ASP 40 H ASP 40 22.366 9.594 2.722 352 HA ASP 40 HA ASP 40 22.579 12.188 3.754 353 1HB ASP 40 1HB ASP 40 22.996 9.441 4.815 354 2HB ASP 40 2HB ASP 40 23.685 10.772 5.741 355 H ASP 41 H ASP 41 24.167 13.562 3.290 356 HA ASP 41 HA ASP 41 26.926 12.541 3.193 357 1HB ASP 41 1HB ASP 41 25.519 14.109 1.349 358 2HB ASP 41 2HB ASP 41 26.614 15.228 2.155 359 H1 ALA 1 H1 ALA 1 25.889 5.269 -6.792 360 H2 ALA 1 H2 ALA 1 25.568 6.046 -8.288 361 H3 ALA 1 H3 ALA 1 25.700 4.338 -8.222 362 HA ALA 1 HA ALA 1 27.669 5.092 -9.118 363 1HB ALA 1 1HB ALA 1 28.416 6.842 -6.871 364 2HB ALA 1 2HB ALA 1 28.698 7.029 -8.602 365 3HB ALA 1 3HB ALA 1 27.128 7.443 -7.914 366 H LEU 2 H LEU 2 29.016 3.457 -8.815 367 HA LEU 2 HA LEU 2 30.236 1.808 -7.831 368 1HB LEU 2 1HB LEU 2 30.484 3.697 -5.496 369 2HB LEU 2 2HB LEU 2 31.590 2.415 -5.952 370 HG LEU 2 HG LEU 2 32.659 4.399 -6.606 371 1HD1 LEU 2 1HD1 LEU 2 32.214 2.503 -8.398 372 2HD1 LEU 2 2HD1 LEU 2 31.383 3.823 -9.222 373 3HD1 LEU 2 3HD1 LEU 2 33.088 3.981 -8.802 374 1HD2 LEU 2 1HD2 LEU 2 30.388 5.671 -6.455 375 2HD2 LEU 2 2HD2 LEU 2 31.674 6.281 -7.497 376 3HD2 LEU 2 3HD2 LEU 2 30.328 5.378 -8.193 377 H LYS 3 H LYS 3 30.390 0.339 -5.892 378 HA LYS 3 HA LYS 3 29.324 -1.174 -4.561 379 1HB LYS 3 1HB LYS 3 29.352 1.158 -3.248 380 2HB LYS 3 2HB LYS 3 27.611 0.943 -3.368 381 1HG LYS 3 1HG LYS 3 27.585 -0.744 -1.884 382 2HG LYS 3 2HG LYS 3 29.113 -1.416 -2.459 383 1HD LYS 3 1HD LYS 3 29.284 -0.568 -0.158 384 2HD LYS 3 2HD LYS 3 30.345 0.305 -1.265 385 1HE LYS 3 1HE LYS 3 28.303 1.930 -1.461 386 2HE LYS 3 2HE LYS 3 27.840 1.213 0.082 387 1HZ LYS 3 1HZ LYS 3 30.326 1.760 0.649 388 2HZ LYS 3 2HZ LYS 3 30.125 2.925 -0.561 389 3HZ LYS 3 3HZ LYS 3 29.117 2.936 0.797 390 H LYS 4 H LYS 4 28.088 -2.444 -5.850 391 HA LYS 4 HA LYS 4 25.377 -1.513 -6.501 392 1HB LYS 4 1HB LYS 4 25.504 -3.613 -8.056 393 2HB LYS 4 2HB LYS 4 26.305 -2.120 -8.526 394 1HG LYS 4 1HG LYS 4 28.430 -3.000 -7.686 395 2HG LYS 4 2HG LYS 4 27.619 -4.503 -7.239 396 1HD LYS 4 1HD LYS 4 28.369 -5.142 -9.283 397 2HD LYS 4 2HD LYS 4 26.872 -4.365 -9.802 398 1HE LYS 4 1HE LYS 4 28.924 -3.725 -11.103 399 2HE LYS 4 2HE LYS 4 28.016 -2.378 -10.416 400 1HZ LYS 4 1HZ LYS 4 30.276 -3.541 -8.929 401 2HZ LYS 4 2HZ LYS 4 30.568 -2.435 -10.175 402 3HZ LYS 4 3HZ LYS 4 29.631 -1.979 -8.843 403 H HIS 5 H HIS 5 26.391 -2.724 -3.929 404 HA HIS 5 HA HIS 5 24.932 -5.245 -3.834 405 1HB HIS 5 1HB HIS 5 26.249 -3.920 -1.477 406 2HB HIS 5 2HB HIS 5 25.958 -5.634 -1.756 407 HD1 HIS 5 HD1 HIS 5 27.948 -6.908 -2.476 408 HD2 HIS 5 HD2 HIS 5 28.269 -2.876 -3.434 409 HE1 HIS 5 HE1 HIS 5 30.240 -6.633 -3.475 410 HE2 HIS 5 HE2 HIS 5 30.413 -4.187 -4.046 411 H HIS 6 H HIS 6 25.000 -2.265 -1.868 412 HA HIS 6 HA HIS 6 22.525 -2.751 -0.619 413 1HB HIS 6 1HB HIS 6 22.692 -0.552 0.267 414 2HB HIS 6 2HB HIS 6 24.342 -1.150 0.150 415 HD1 HIS 6 HD1 HIS 6 25.008 -0.507 -2.746 416 HD2 HIS 6 HD2 HIS 6 22.962 2.095 -0.235 417 HE1 HIS 6 HE1 HIS 6 25.358 1.783 -3.720 418 HE2 HIS 6 HE2 HIS 6 24.113 3.344 -2.185 419 H GLU 7 H GLU 7 23.397 -1.172 -3.619 420 HA GLU 7 HA GLU 7 20.908 0.062 -4.133 421 1HB GLU 7 1HB GLU 7 23.398 -0.436 -5.582 422 2HB GLU 7 2HB GLU 7 21.981 -0.508 -6.620 423 1HG GLU 7 1HG GLU 7 21.967 1.774 -4.811 424 2HG GLU 7 2HG GLU 7 23.343 1.757 -5.913 425 H ASN 8 H ASN 8 22.113 -3.173 -4.489 426 HA ASN 8 HA ASN 8 20.151 -4.119 -6.319 427 1HB ASN 8 1HB ASN 8 22.302 -5.264 -4.691 428 2HB ASN 8 2HB ASN 8 20.908 -6.329 -4.846 429 2HD2 ASN 8 2HD2 ASN 8 23.626 -6.541 -5.937 430 1HD2 ASN 8 1HD2 ASN 8 23.429 -6.703 -7.646 431 H GLU 9 H GLU 9 20.522 -4.658 -2.807 432 HA GLU 9 HA GLU 9 17.929 -5.729 -2.453 433 1HB GLU 9 1HB GLU 9 19.633 -6.159 -0.805 434 2HB GLU 9 2HB GLU 9 19.842 -4.439 -0.502 435 1HG GLU 9 1HG GLU 9 18.185 -4.398 0.976 436 2HG GLU 9 2HG GLU 9 17.106 -5.302 -0.085 437 H ILE 10 H ILE 10 19.052 -2.546 -2.923 438 HA ILE 10 HA ILE 10 16.873 -1.205 -1.608 439 HB ILE 10 HB ILE 10 19.298 -0.396 -3.143 440 1HG1 ILE 10 1HG1 ILE 10 18.025 0.589 -0.589 441 2HG1 ILE 10 2HG1 ILE 10 19.332 -0.585 -0.706 442 1HG2 ILE 10 1HG2 ILE 10 17.464 0.893 -4.234 443 2HG2 ILE 10 2HG2 ILE 10 17.102 1.605 -2.662 444 3HG2 ILE 10 3HG2 ILE 10 18.671 1.883 -3.419 445 1HD1 ILE 10 1HD1 ILE 10 19.599 2.187 -1.809 446 2HD1 ILE 10 2HD1 ILE 10 19.941 1.812 -0.120 447 3HD1 ILE 10 3HD1 ILE 10 20.868 1.031 -1.403 448 H SER 11 H SER 11 17.657 -2.382 -4.796 449 HA SER 11 HA SER 11 15.605 -0.950 -6.174 450 1HB SER 11 1HB SER 11 17.639 -1.877 -7.295 451 2HB SER 11 2HB SER 11 17.006 -3.500 -7.017 452 HG SER 11 HG SER 11 15.386 -1.614 -8.312 453 H HIS 12 H HIS 12 15.882 -4.090 -4.624 454 HA HIS 12 HA HIS 12 13.390 -5.090 -5.553 455 1HB HIS 12 1HB HIS 12 14.480 -6.923 -4.834 456 2HB HIS 12 2HB HIS 12 15.563 -5.976 -3.829 457 HD1 HIS 12 HD1 HIS 12 12.388 -7.955 -3.702 458 HD2 HIS 12 HD2 HIS 12 14.889 -5.863 -1.131 459 HE1 HIS 12 HE1 HIS 12 11.646 -8.588 -1.383 460 HE2 HIS 12 HE2 HIS 12 13.173 -7.310 0.161 461 H HIS 13 H HIS 13 14.420 -3.568 -2.488 462 HA HIS 13 HA HIS 13 11.919 -3.646 -1.225 463 1HB HIS 13 1HB HIS 13 14.103 -1.575 -0.927 464 2HB HIS 13 2HB HIS 13 12.752 -1.799 0.175 465 HD1 HIS 13 HD1 HIS 13 13.026 -5.014 0.106 466 HD2 HIS 13 HD2 HIS 13 15.973 -2.228 0.989 467 HE1 HIS 13 HE1 HIS 13 14.709 -6.246 1.516 468 HE2 HIS 13 HE2 HIS 13 16.490 -4.539 2.038 469 H ALA 14 H ALA 14 13.271 -1.453 -3.600 470 HA ALA 14 HA ALA 14 11.389 0.627 -3.348 471 1HB ALA 14 1HB ALA 14 13.557 -0.038 -5.095 472 2HB ALA 14 2HB ALA 14 12.171 0.489 -6.051 473 3HB ALA 14 3HB ALA 14 12.820 1.534 -4.787 474 H LYS 15 H LYS 15 11.466 -2.251 -5.415 475 HA LYS 15 HA LYS 15 8.979 -1.685 -6.682 476 1HB LYS 15 1HB LYS 15 9.127 -3.911 -7.594 477 2HB LYS 15 2HB LYS 15 10.724 -3.179 -7.645 478 1HG LYS 15 1HG LYS 15 11.595 -4.641 -6.158 479 2HG LYS 15 2HG LYS 15 10.090 -4.787 -5.251 480 1HD LYS 15 1HD LYS 15 9.394 -6.548 -6.463 481 2HD LYS 15 2HD LYS 15 9.965 -5.851 -7.979 482 1HE LYS 15 1HE LYS 15 12.318 -6.422 -7.103 483 2HE LYS 15 2HE LYS 15 11.479 -7.468 -5.958 484 1HZ LYS 15 1HZ LYS 15 10.376 -8.493 -7.950 485 2HZ LYS 15 2HZ LYS 15 11.479 -7.648 -8.915 486 3HZ LYS 15 3HZ LYS 15 12.033 -8.797 -7.803 487 H GLU 16 H GLU 16 9.831 -2.873 -3.594 488 HA GLU 16 HA GLU 16 7.467 -4.438 -3.161 489 1HB GLU 16 1HB GLU 16 9.934 -3.953 -1.795 490 2HB GLU 16 2HB GLU 16 8.604 -3.657 -0.684 491 1HG GLU 16 1HG GLU 16 8.003 -5.826 -0.608 492 2HG GLU 16 2HG GLU 16 8.420 -6.115 -2.296 493 H ILE 17 H ILE 17 8.549 -1.173 -2.188 494 HA ILE 17 HA ILE 17 6.107 -0.649 -0.759 495 HB ILE 17 HB ILE 17 8.124 0.498 -0.074 496 1HG1 ILE 17 1HG1 ILE 17 6.012 2.293 -1.273 497 2HG1 ILE 17 2HG1 ILE 17 6.126 1.722 0.389 498 1HG2 ILE 17 1HG2 ILE 17 8.619 0.731 -2.800 499 2HG2 ILE 17 2HG2 ILE 17 8.391 2.385 -2.237 500 3HG2 ILE 17 3HG2 ILE 17 9.609 1.357 -1.482 501 1HD1 ILE 17 1HD1 ILE 17 8.383 3.027 0.374 502 2HD1 ILE 17 2HD1 ILE 17 7.646 3.878 -0.983 503 3HD1 ILE 17 3HD1 ILE 17 6.854 3.880 0.592 504 H GLU 18 H GLU 18 7.294 -0.153 -4.005 505 HA GLU 18 HA GLU 18 5.161 1.623 -4.765 506 1HB GLU 18 1HB GLU 18 7.299 1.807 -5.892 507 2HB GLU 18 2HB GLU 18 7.215 0.126 -6.401 508 1HG GLU 18 1HG GLU 18 4.977 1.860 -7.229 509 2HG GLU 18 2HG GLU 18 6.543 2.183 -7.970 510 H ARG 19 H ARG 19 5.797 -1.814 -4.855 511 HA ARG 19 HA ARG 19 3.648 -2.440 -6.640 512 1HB ARG 19 1HB ARG 19 5.507 -3.968 -6.489 513 2HB ARG 19 2HB ARG 19 5.273 -4.154 -4.757 514 1HG ARG 19 1HG ARG 19 3.425 -5.507 -5.015 515 2HG ARG 19 2HG ARG 19 3.074 -4.895 -6.631 516 1HD ARG 19 1HD ARG 19 4.983 -6.070 -7.533 517 2HD ARG 19 2HD ARG 19 5.460 -6.596 -5.918 518 HE ARG 19 HE ARG 19 3.399 -7.731 -7.580 519 1HH1 ARG 19 1HH1 ARG 19 4.606 -7.362 -4.334 520 2HH1 ARG 19 2HH1 ARG 19 3.822 -8.789 -3.741 521 1HH2 ARG 19 1HH2 ARG 19 2.361 -9.611 -6.809 522 2HH2 ARG 19 2HH2 ARG 19 2.546 -10.067 -5.149 523 H LEU 20 H LEU 20 4.069 -2.397 -3.124 524 HA LEU 20 HA LEU 20 1.505 -3.508 -2.573 525 1HB LEU 20 1HB LEU 20 3.231 -1.789 -0.789 526 2HB LEU 20 2HB LEU 20 1.897 -2.806 -0.279 527 HG LEU 20 HG LEU 20 4.169 -4.101 -1.701 528 1HD1 LEU 20 1HD1 LEU 20 4.862 -2.435 0.267 529 2HD1 LEU 20 2HD1 LEU 20 4.415 -3.841 1.234 530 3HD1 LEU 20 3HD1 LEU 20 5.663 -3.983 -0.004 531 1HD2 LEU 20 1HD2 LEU 20 1.894 -4.851 -0.080 532 2HD2 LEU 20 2HD2 LEU 20 2.903 -5.841 -1.134 533 3HD2 LEU 20 3HD2 LEU 20 3.392 -5.549 0.536 534 H GLN 21 H GLN 21 2.767 -0.275 -3.051 535 HA GLN 21 HA GLN 21 0.540 1.167 -2.104 536 1HB GLN 21 1HB GLN 21 2.823 1.765 -3.937 537 2HB GLN 21 2HB GLN 21 1.473 2.889 -3.881 538 1HG GLN 21 1HG GLN 21 2.594 2.045 -1.285 539 2HG GLN 21 2HG GLN 21 3.612 3.073 -2.292 540 2HE2 GLN 21 2HE2 GLN 21 0.101 3.089 -2.092 541 1HE2 GLN 21 1HE2 GLN 21 -0.041 4.685 -1.448 542 H LYS 22 H LYS 22 1.362 -0.101 -5.312 543 HA LYS 22 HA LYS 22 -0.814 1.009 -6.701 544 1HB LYS 22 1HB LYS 22 1.135 0.012 -7.822 545 2HB LYS 22 2HB LYS 22 0.659 -1.577 -7.242 546 1HG LYS 22 1HG LYS 22 -1.593 -0.922 -8.498 547 2HG LYS 22 2HG LYS 22 -0.464 0.063 -9.432 548 1HD LYS 22 1HD LYS 22 -0.659 -2.053 -10.525 549 2HD LYS 22 2HD LYS 22 0.929 -1.993 -9.755 550 1HE LYS 22 1HE LYS 22 0.218 -3.403 -7.984 551 2HE LYS 22 2HE LYS 22 -1.474 -3.261 -8.461 552 1HZ LYS 22 1HZ LYS 22 -0.252 -4.244 -10.683 553 2HZ LYS 22 2HZ LYS 22 0.546 -5.047 -9.426 554 3HZ LYS 22 3HZ LYS 22 -1.137 -5.150 -9.560 555 H GLU 23 H GLU 23 -0.437 -2.092 -5.031 556 HA GLU 23 HA GLU 23 -2.906 -3.213 -5.697 557 1HB GLU 23 1HB GLU 23 -0.733 -3.870 -4.030 558 2HB GLU 23 2HB GLU 23 -2.159 -3.908 -3.002 559 1HG GLU 23 1HG GLU 23 -3.240 -5.454 -4.548 560 2HG GLU 23 2HG GLU 23 -1.817 -5.410 -5.588 561 H ILE 24 H ILE 24 -2.009 -1.064 -3.021 562 HA ILE 24 HA ILE 24 -4.516 -1.161 -1.725 563 HB ILE 24 HB ILE 24 -3.755 0.441 -0.272 564 1HG1 ILE 24 1HG1 ILE 24 -1.697 1.969 -1.268 565 2HG1 ILE 24 2HG1 ILE 24 -2.750 1.806 -2.670 566 1HG2 ILE 24 1HG2 ILE 24 -1.874 -1.401 -1.112 567 2HG2 ILE 24 2HG2 ILE 24 -0.981 0.115 -1.005 568 3HG2 ILE 24 3HG2 ILE 24 -1.865 -0.489 0.392 569 1HD1 ILE 24 1HD1 ILE 24 -4.310 2.399 -0.346 570 2HD1 ILE 24 2HD1 ILE 24 -3.010 3.579 -0.528 571 3HD1 ILE 24 3HD1 ILE 24 -4.147 3.308 -1.850 572 H GLU 25 H GLU 25 -3.299 0.658 -4.425 573 HA GLU 25 HA GLU 25 -5.245 2.686 -4.525 574 1HB GLU 25 1HB GLU 25 -3.148 2.708 -5.846 575 2HB GLU 25 2HB GLU 25 -3.770 1.388 -6.827 576 1HG GLU 25 1HG GLU 25 -5.777 3.159 -7.095 577 2HG GLU 25 2HG GLU 25 -4.416 4.257 -6.878 578 H ARG 26 H ARG 26 -5.104 -0.536 -5.998 579 HA ARG 26 HA ARG 26 -7.495 -0.426 -7.439 580 1HB ARG 26 1HB ARG 26 -5.554 -2.304 -7.079 581 2HB ARG 26 2HB ARG 26 -6.877 -3.016 -6.165 582 1HG ARG 26 1HG ARG 26 -8.181 -2.332 -8.415 583 2HG ARG 26 2HG ARG 26 -6.568 -2.630 -9.065 584 1HD ARG 26 1HD ARG 26 -7.838 -4.591 -7.194 585 2HD ARG 26 2HD ARG 26 -8.263 -4.589 -8.906 586 HE ARG 26 HE ARG 26 -5.473 -4.611 -8.685 587 1HH1 ARG 26 1HH1 ARG 26 -8.207 -6.664 -8.022 588 2HH1 ARG 26 2HH1 ARG 26 -7.321 -8.136 -8.246 589 1HH2 ARG 26 1HH2 ARG 26 -4.297 -6.543 -8.984 590 2HH2 ARG 26 2HH2 ARG 26 -5.098 -8.067 -8.793 591 H HIS 27 H HIS 27 -6.887 -1.608 -4.133 592 HA HIS 27 HA HIS 27 -9.597 -2.167 -3.547 593 1HB HIS 27 1HB HIS 27 -7.066 -1.980 -2.028 594 2HB HIS 27 2HB HIS 27 -8.535 -1.715 -1.096 595 HD1 HIS 27 HD1 HIS 27 -10.437 -3.760 -1.996 596 HD2 HIS 27 HD2 HIS 27 -6.369 -4.566 -1.738 597 HE1 HIS 27 HE1 HIS 27 -10.257 -6.262 -1.815 598 HE2 HIS 27 HE2 HIS 27 -7.786 -6.728 -1.661 599 H LYS 28 H LYS 28 -7.813 0.761 -3.722 600 HA LYS 28 HA LYS 28 -9.516 2.269 -1.962 601 1HB LYS 28 1HB LYS 28 -7.152 2.878 -2.280 602 2HB LYS 28 2HB LYS 28 -7.465 3.198 -3.980 603 1HG LYS 28 1HG LYS 28 -9.131 4.935 -3.219 604 2HG LYS 28 2HG LYS 28 -8.472 4.722 -1.595 605 1HD LYS 28 1HD LYS 28 -6.954 6.262 -2.147 606 2HD LYS 28 2HD LYS 28 -6.229 5.032 -3.186 607 1HE LYS 28 1HE LYS 28 -6.983 6.000 -5.077 608 2HE LYS 28 2HE LYS 28 -8.519 6.465 -4.347 609 1HZ LYS 28 1HZ LYS 28 -7.373 8.289 -3.225 610 2HZ LYS 28 2HZ LYS 28 -5.921 7.854 -3.975 611 3HZ LYS 28 3HZ LYS 28 -7.220 8.406 -4.907 612 H GLN 29 H GLN 29 -9.418 1.443 -5.323 613 HA GLN 29 HA GLN 29 -11.194 3.527 -6.187 614 1HB GLN 29 1HB GLN 29 -9.500 2.318 -7.644 615 2HB GLN 29 2HB GLN 29 -10.595 0.942 -7.625 616 1HG GLN 29 1HG GLN 29 -12.346 2.682 -8.455 617 2HG GLN 29 2HG GLN 29 -10.918 3.603 -8.925 618 2HE2 GLN 29 2HE2 GLN 29 -9.940 3.115 -10.778 619 1HE2 GLN 29 1HE2 GLN 29 -10.299 1.745 -11.766 620 H SER 30 H SER 30 -11.484 0.141 -5.260 621 HA SER 30 HA SER 30 -14.248 -0.080 -5.941 622 1HB SER 30 1HB SER 30 -12.284 -1.882 -5.329 623 2HB SER 30 2HB SER 30 -13.235 -1.885 -3.845 624 HG SER 30 HG SER 30 -13.816 -3.314 -5.795 625 H ILE 31 H ILE 31 -12.471 0.600 -2.956 626 HA ILE 31 HA ILE 31 -14.833 0.697 -1.331 627 HB ILE 31 HB ILE 31 -12.691 0.111 -0.341 628 1HG1 ILE 31 1HG1 ILE 31 -12.652 1.943 1.493 629 2HG1 ILE 31 2HG1 ILE 31 -14.028 2.621 0.627 630 1HG2 ILE 31 1HG2 ILE 31 -11.613 2.019 -1.932 631 2HG2 ILE 31 2HG2 ILE 31 -11.608 2.839 -0.370 632 3HG2 ILE 31 3HG2 ILE 31 -10.789 1.287 -0.554 633 1HD1 ILE 31 1HD1 ILE 31 -15.071 0.303 0.843 634 2HD1 ILE 31 2HD1 ILE 31 -13.810 -0.007 2.036 635 3HD1 ILE 31 3HD1 ILE 31 -14.965 1.298 2.296 636 H LYS 32 H LYS 32 -13.034 2.951 -3.258 637 HA LYS 32 HA LYS 32 -14.213 5.295 -2.059 638 1HB LYS 32 1HB LYS 32 -11.993 5.479 -3.006 639 2HB LYS 32 2HB LYS 32 -12.572 4.922 -4.570 640 1HG LYS 32 1HG LYS 32 -13.939 6.936 -4.782 641 2HG LYS 32 2HG LYS 32 -13.351 7.496 -3.215 642 1HD LYS 32 1HD LYS 32 -12.170 8.523 -5.143 643 2HD LYS 32 2HD LYS 32 -11.100 7.639 -4.052 644 1HE LYS 32 1HE LYS 32 -10.960 5.799 -5.551 645 2HE LYS 32 2HE LYS 32 -12.262 6.435 -6.555 646 1HZ LYS 32 1HZ LYS 32 -9.590 7.685 -6.199 647 2HZ LYS 32 2HZ LYS 32 -10.098 6.814 -7.558 648 3HZ LYS 32 3HZ LYS 32 -10.838 8.284 -7.171 649 H LYS 33 H LYS 33 -14.948 3.093 -4.623 650 HA LYS 33 HA LYS 33 -16.773 4.829 -5.998 651 1HB LYS 33 1HB LYS 33 -16.006 1.946 -6.200 652 2HB LYS 33 2HB LYS 33 -17.493 2.487 -6.970 653 1HG LYS 33 1HG LYS 33 -16.324 3.982 -8.384 654 2HG LYS 33 2HG LYS 33 -14.828 3.783 -7.469 655 1HD LYS 33 1HD LYS 33 -14.250 1.995 -8.668 656 2HD LYS 33 2HD LYS 33 -15.821 1.237 -8.399 657 1HE LYS 33 1HE LYS 33 -15.410 3.420 -10.425 658 2HE LYS 33 2HE LYS 33 -15.163 1.718 -10.812 659 1HZ LYS 33 1HZ LYS 33 -17.680 2.397 -9.519 660 2HZ LYS 33 2HZ LYS 33 -17.488 2.948 -11.106 661 3HZ LYS 33 3HZ LYS 33 -17.365 1.297 -10.764 662 H LEU 34 H LEU 34 -17.043 2.197 -3.642 663 HA LEU 34 HA LEU 34 -19.911 2.245 -3.630 664 1HB LEU 34 1HB LEU 34 -17.986 0.479 -2.753 665 2HB LEU 34 2HB LEU 34 -18.617 1.136 -1.254 666 HG LEU 34 HG LEU 34 -20.205 -0.261 -3.407 667 1HD1 LEU 34 1HD1 LEU 34 -18.791 -1.183 -1.096 668 2HD1 LEU 34 2HD1 LEU 34 -20.521 -1.451 -0.883 669 3HD1 LEU 34 3HD1 LEU 34 -19.694 -2.108 -2.295 670 1HD2 LEU 34 1HD2 LEU 34 -21.332 1.692 -2.192 671 2HD2 LEU 34 2HD2 LEU 34 -22.158 0.134 -2.184 672 3HD2 LEU 34 3HD2 LEU 34 -21.268 0.667 -0.759 673 H LYS 35 H LYS 35 -17.362 3.786 -1.801 674 HA LYS 35 HA LYS 35 -19.154 4.800 0.223 675 1HB LYS 35 1HB LYS 35 -16.836 4.293 0.803 676 2HB LYS 35 2HB LYS 35 -16.265 5.459 -0.384 677 1HG LYS 35 1HG LYS 35 -17.671 7.155 0.989 678 2HG LYS 35 2HG LYS 35 -17.569 5.933 2.258 679 1HD LYS 35 1HD LYS 35 -15.675 7.073 2.766 680 2HD LYS 35 2HD LYS 35 -14.996 6.009 1.533 681 1HE LYS 35 1HE LYS 35 -15.936 8.062 0.017 682 2HE LYS 35 2HE LYS 35 -15.455 8.908 1.488 683 1HZ LYS 35 1HZ LYS 35 -13.714 7.095 -0.095 684 2HZ LYS 35 2HZ LYS 35 -13.649 8.785 -0.124 685 3HZ LYS 35 3HZ LYS 35 -13.256 7.948 1.292 686 H GLN 36 H GLN 36 -17.889 5.829 -2.832 687 HA GLN 36 HA GLN 36 -18.566 8.610 -2.452 688 1HB GLN 36 1HB GLN 36 -16.682 8.059 -3.875 689 2HB GLN 36 2HB GLN 36 -17.705 7.063 -4.901 690 1HG GLN 36 1HG GLN 36 -18.764 8.902 -5.844 691 2HG GLN 36 2HG GLN 36 -18.282 9.974 -4.529 692 2HE2 GLN 36 2HE2 GLN 36 -16.210 7.703 -6.222 693 1HE2 GLN 36 1HE2 GLN 36 -15.185 8.889 -6.948 694 H SER 37 H SER 37 -20.084 5.747 -3.668 695 HA SER 37 HA SER 37 -22.133 7.120 -5.147 696 1HB SER 37 1HB SER 37 -21.545 4.277 -4.440 697 2HB SER 37 2HB SER 37 -23.184 4.695 -4.935 698 HG SER 37 HG SER 37 -21.911 5.825 -6.747 699 H GLU 38 H GLU 38 -21.666 6.044 -1.887 700 HA GLU 38 HA GLU 38 -24.470 6.225 -1.192 701 1HB GLU 38 1HB GLU 38 -23.093 4.570 -0.065 702 2HB GLU 38 2HB GLU 38 -22.004 5.825 0.510 703 1HG GLU 38 1HG GLU 38 -24.246 6.762 1.565 704 2HG GLU 38 2HG GLU 38 -24.701 5.061 1.468 705 H ASP 39 H ASP 39 -21.620 8.224 -1.058 706 HA ASP 39 HA ASP 39 -22.892 10.201 0.648 707 1HB ASP 39 1HB ASP 39 -20.358 9.534 0.568 708 2HB ASP 39 2HB ASP 39 -20.298 10.665 -0.781 709 H ASP 40 H ASP 40 -22.363 9.595 -2.716 710 HA ASP 40 HA ASP 40 -22.579 12.189 -3.746 711 1HB ASP 40 1HB ASP 40 -22.997 9.443 -4.810 712 2HB ASP 40 2HB ASP 40 -23.686 10.775 -5.734 713 H ASP 41 H ASP 41 -24.167 13.562 -3.281 714 HA ASP 41 HA ASP 41 -26.926 12.540 -3.183 715 1HB ASP 41 1HB ASP 41 -25.518 14.106 -1.338 716 2HB ASP 41 2HB ASP 41 -26.612 15.227 -2.142 No H/Q in entry = 716 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 -27.988 -12.758 -0.664 2 H2 ALA 1 H2 ALA 1 -28.654 -13.957 0.368 3 H3 ALA 1 H3 ALA 1 -28.520 -14.255 -1.315 4 HA ALA 1 HA ALA 1 -30.257 -13.000 -1.847 5 1HB ALA 1 1HB ALA 1 -31.472 -14.540 -0.719 6 2HB ALA 1 2HB ALA 1 -31.873 -13.144 0.282 7 3HB ALA 1 3HB ALA 1 -30.616 -14.268 0.798 8 H LEU 2 H LEU 2 -29.692 -12.058 1.551 9 HA LEU 2 HA LEU 2 -30.810 -9.473 1.208 10 1HB LEU 2 1HB LEU 2 -28.861 -10.031 3.392 11 2HB LEU 2 2HB LEU 2 -30.363 -9.129 3.442 12 HG LEU 2 HG LEU 2 -31.223 -11.688 2.901 13 1HD1 LEU 2 1HD1 LEU 2 -28.602 -11.988 3.780 14 2HD1 LEU 2 2HD1 LEU 2 -29.595 -12.331 5.196 15 3HD1 LEU 2 3HD1 LEU 2 -29.846 -13.235 3.703 16 1HD2 LEU 2 1HD2 LEU 2 -31.375 -9.753 4.992 17 2HD2 LEU 2 2HD2 LEU 2 -32.524 -11.022 4.567 18 3HD2 LEU 2 3HD2 LEU 2 -31.218 -11.359 5.702 19 H LYS 3 H LYS 3 -29.643 -7.430 1.527 20 HA LYS 3 HA LYS 3 -27.078 -7.485 0.096 21 1HB LYS 3 1HB LYS 3 -29.360 -5.602 0.181 22 2HB LYS 3 2HB LYS 3 -27.763 -4.872 0.081 23 1HG LYS 3 1HG LYS 3 -28.897 -6.906 -1.828 24 2HG LYS 3 2HG LYS 3 -28.738 -5.173 -2.124 25 1HD LYS 3 1HD LYS 3 -26.584 -5.375 -2.681 26 2HD LYS 3 2HD LYS 3 -26.237 -6.380 -1.271 27 1HE LYS 3 1HE LYS 3 -26.010 -8.104 -2.656 28 2HE LYS 3 2HE LYS 3 -27.742 -8.002 -2.968 29 1HZ LYS 3 1HZ LYS 3 -25.782 -6.376 -4.473 30 2HZ LYS 3 2HZ LYS 3 -26.209 -7.937 -4.962 31 3HZ LYS 3 3HZ LYS 3 -27.386 -6.724 -4.878 32 H LYS 4 H LYS 4 -27.517 -7.934 3.021 33 HA LYS 4 HA LYS 4 -26.462 -5.604 4.335 34 1HB LYS 4 1HB LYS 4 -26.539 -8.389 5.479 35 2HB LYS 4 2HB LYS 4 -26.587 -6.857 6.340 36 1HG LYS 4 1HG LYS 4 -28.799 -6.855 4.613 37 2HG LYS 4 2HG LYS 4 -28.747 -8.452 5.361 38 1HD LYS 4 1HD LYS 4 -29.421 -7.642 7.327 39 2HD LYS 4 2HD LYS 4 -28.213 -6.357 7.285 40 1HE LYS 4 1HE LYS 4 -30.693 -5.690 7.333 41 2HE LYS 4 2HE LYS 4 -29.637 -4.888 6.171 42 1HZ LYS 4 1HZ LYS 4 -31.034 -7.307 5.303 43 2HZ LYS 4 2HZ LYS 4 -31.946 -5.894 5.470 44 3HZ LYS 4 3HZ LYS 4 -30.618 -5.926 4.421 45 H HIS 5 H HIS 5 -25.205 -8.734 3.276 46 HA HIS 5 HA HIS 5 -22.692 -8.689 4.407 47 1HB HIS 5 1HB HIS 5 -21.972 -10.043 2.420 48 2HB HIS 5 2HB HIS 5 -23.430 -10.632 3.210 49 HD1 HIS 5 HD1 HIS 5 -22.118 -9.775 -0.037 50 HD2 HIS 5 HD2 HIS 5 -25.867 -9.757 1.754 51 HE1 HIS 5 HE1 HIS 5 -23.769 -9.699 -1.933 52 HE2 HIS 5 HE2 HIS 5 -26.031 -9.689 -0.826 53 H HIS 6 H HIS 6 -23.959 -6.721 1.861 54 HA HIS 6 HA HIS 6 -21.590 -5.938 0.589 55 1HB HIS 6 1HB HIS 6 -24.328 -4.802 0.857 56 2HB HIS 6 2HB HIS 6 -23.056 -3.721 0.296 57 HD1 HIS 6 HD1 HIS 6 -24.026 -7.303 -0.588 58 HD2 HIS 6 HD2 HIS 6 -23.081 -3.683 -2.396 59 HE1 HIS 6 HE1 HIS 6 -24.138 -7.739 -3.062 60 HE2 HIS 6 HE2 HIS 6 -23.565 -5.534 -4.138 61 H GLU 7 H GLU 7 -23.340 -4.396 3.282 62 HA GLU 7 HA GLU 7 -21.612 -2.260 3.697 63 1HB GLU 7 1HB GLU 7 -23.905 -2.914 4.817 64 2HB GLU 7 2HB GLU 7 -22.867 -3.633 6.041 65 1HG GLU 7 1HG GLU 7 -21.707 -1.356 6.127 66 2HG GLU 7 2HG GLU 7 -23.113 -0.757 5.247 67 H ASN 8 H ASN 8 -21.224 -5.614 4.442 68 HA ASN 8 HA ASN 8 -19.165 -5.301 6.396 69 1HB ASN 8 1HB ASN 8 -19.674 -7.718 4.652 70 2HB ASN 8 2HB ASN 8 -18.853 -7.681 6.208 71 2HD2 ASN 8 2HD2 ASN 8 -20.571 -9.440 6.411 72 1HD2 ASN 8 1HD2 ASN 8 -22.078 -8.946 7.095 73 H GLU 9 H GLU 9 -19.078 -6.403 3.002 74 HA GLU 9 HA GLU 9 -16.302 -6.401 2.726 75 1HB GLU 9 1HB GLU 9 -18.618 -6.503 0.949 76 2HB GLU 9 2HB GLU 9 -17.239 -5.693 0.219 77 1HG GLU 9 1HG GLU 9 -17.388 -8.497 1.280 78 2HG GLU 9 2HG GLU 9 -17.100 -7.972 -0.379 79 H ILE 10 H ILE 10 -18.533 -3.793 2.919 80 HA ILE 10 HA ILE 10 -16.954 -1.849 1.567 81 HB ILE 10 HB ILE 10 -19.562 -1.989 2.614 82 1HG1 ILE 10 1HG1 ILE 10 -18.913 0.635 1.606 83 2HG1 ILE 10 2HG1 ILE 10 -18.132 -0.618 0.646 84 1HG2 ILE 10 1HG2 ILE 10 -18.016 0.203 3.969 85 2HG2 ILE 10 2HG2 ILE 10 -19.763 0.260 3.730 86 3HG2 ILE 10 3HG2 ILE 10 -19.048 -1.024 4.704 87 1HD1 ILE 10 1HD1 ILE 10 -20.779 -1.464 1.111 88 2HD1 ILE 10 2HD1 ILE 10 -20.844 0.230 0.619 89 3HD1 ILE 10 3HD1 ILE 10 -20.041 -0.958 -0.410 90 H SER 11 H SER 11 -17.620 -2.430 5.028 91 HA SER 11 HA SER 11 -15.812 -0.523 6.009 92 1HB SER 11 1HB SER 11 -17.362 -2.761 7.106 93 2HB SER 11 2HB SER 11 -15.858 -2.449 7.972 94 HG SER 11 HG SER 11 -16.789 -0.782 8.819 95 H HIS 12 H HIS 12 -15.338 -3.719 4.763 96 HA HIS 12 HA HIS 12 -12.767 -4.136 5.927 97 1HB HIS 12 1HB HIS 12 -13.434 -6.204 5.334 98 2HB HIS 12 2HB HIS 12 -14.606 -5.582 4.188 99 HD1 HIS 12 HD1 HIS 12 -11.110 -6.894 4.419 100 HD2 HIS 12 HD2 HIS 12 -13.770 -5.552 1.526 101 HE1 HIS 12 HE1 HIS 12 -10.090 -7.551 2.215 102 HE2 HIS 12 HE2 HIS 12 -11.718 -6.730 0.475 103 H HIS 13 H HIS 13 -13.866 -3.122 2.682 104 HA HIS 13 HA HIS 13 -11.316 -2.808 1.563 105 1HB HIS 13 1HB HIS 13 -13.842 -1.267 0.955 106 2HB HIS 13 2HB HIS 13 -12.400 -1.277 -0.049 107 HD1 HIS 13 HD1 HIS 13 -12.017 -4.470 0.298 108 HD2 HIS 13 HD2 HIS 13 -15.393 -2.428 -0.983 109 HE1 HIS 13 HE1 HIS 13 -13.319 -6.131 -1.074 110 HE2 HIS 13 HE2 HIS 13 -15.367 -4.876 -1.838 111 H ALA 14 H ALA 14 -13.188 -0.781 3.696 112 HA ALA 14 HA ALA 14 -11.770 1.632 3.315 113 1HB ALA 14 1HB ALA 14 -12.812 1.168 6.018 114 2HB ALA 14 2HB ALA 14 -13.987 0.914 4.727 115 3HB ALA 14 3HB ALA 14 -13.159 2.464 4.873 116 H LYS 15 H LYS 15 -11.503 -0.835 5.882 117 HA LYS 15 HA LYS 15 -9.197 0.295 7.061 118 1HB LYS 15 1HB LYS 15 -10.527 -2.389 7.189 119 2HB LYS 15 2HB LYS 15 -8.937 -2.174 7.911 120 1HG LYS 15 1HG LYS 15 -11.475 -0.727 8.621 121 2HG LYS 15 2HG LYS 15 -10.576 -1.877 9.612 122 1HD LYS 15 1HD LYS 15 -8.632 -0.248 9.474 123 2HD LYS 15 2HD LYS 15 -9.787 0.914 8.818 124 1HE LYS 15 1HE LYS 15 -10.350 -0.516 11.387 125 2HE LYS 15 2HE LYS 15 -9.311 0.907 11.363 126 1HZ LYS 15 1HZ LYS 15 -11.560 1.552 9.885 127 2HZ LYS 15 2HZ LYS 15 -12.132 0.769 11.272 128 3HZ LYS 15 3HZ LYS 15 -11.139 2.131 11.418 129 H GLU 16 H GLU 16 -9.637 -1.414 4.148 130 HA GLU 16 HA GLU 16 -6.971 -2.514 4.048 131 1HB GLU 16 1HB GLU 16 -9.431 -2.813 2.558 132 2HB GLU 16 2HB GLU 16 -8.076 -2.549 1.470 133 1HG GLU 16 1HG GLU 16 -8.430 -4.741 3.489 134 2HG GLU 16 2HG GLU 16 -8.289 -4.880 1.738 135 H ILE 17 H ILE 17 -8.693 0.312 2.822 136 HA ILE 17 HA ILE 17 -6.544 1.092 1.079 137 HB ILE 17 HB ILE 17 -7.820 2.935 0.472 138 1HG1 ILE 17 1HG1 ILE 17 -9.890 3.538 2.043 139 2HG1 ILE 17 2HG1 ILE 17 -8.843 2.853 3.280 140 1HG2 ILE 17 1HG2 ILE 17 -9.051 0.479 0.627 141 2HG2 ILE 17 2HG2 ILE 17 -10.262 1.590 1.265 142 3HG2 ILE 17 3HG2 ILE 17 -9.580 1.855 -0.337 143 1HD1 ILE 17 1HD1 ILE 17 -7.547 4.796 1.511 144 2HD1 ILE 17 2HD1 ILE 17 -8.838 5.443 2.524 145 3HD1 ILE 17 3HD1 ILE 17 -7.468 4.617 3.264 146 H GLU 18 H GLU 18 -7.564 1.857 4.354 147 HA GLU 18 HA GLU 18 -5.603 3.929 4.714 148 1HB GLU 18 1HB GLU 18 -7.609 2.553 6.444 149 2HB GLU 18 2HB GLU 18 -6.280 3.398 7.223 150 1HG GLU 18 1HG GLU 18 -6.912 5.445 5.995 151 2HG GLU 18 2HG GLU 18 -8.297 4.581 5.330 152 H ARG 19 H ARG 19 -5.916 0.512 5.535 153 HA ARG 19 HA ARG 19 -3.483 0.381 7.022 154 1HB ARG 19 1HB ARG 19 -5.295 -1.245 7.355 155 2HB ARG 19 2HB ARG 19 -5.088 -1.822 5.707 156 1HG ARG 19 1HG ARG 19 -2.723 -1.878 7.496 157 2HG ARG 19 2HG ARG 19 -4.007 -3.056 7.778 158 1HD ARG 19 1HD ARG 19 -3.745 -3.254 5.100 159 2HD ARG 19 2HD ARG 19 -2.094 -2.826 5.546 160 HE ARG 19 HE ARG 19 -3.336 -5.336 5.912 161 1HH1 ARG 19 1HH1 ARG 19 -1.181 -3.105 7.495 162 2HH1 ARG 19 2HH1 ARG 19 -0.357 -4.336 8.392 163 1HH2 ARG 19 1HH2 ARG 19 -2.258 -6.965 7.089 164 2HH2 ARG 19 2HH2 ARG 19 -0.968 -6.531 8.162 165 H LEU 20 H LEU 20 -4.345 0.162 3.670 166 HA LEU 20 HA LEU 20 -1.968 -1.128 2.778 167 1HB LEU 20 1HB LEU 20 -4.240 0.310 1.504 168 2HB LEU 20 2HB LEU 20 -2.764 0.141 0.573 169 HG LEU 20 HG LEU 20 -4.077 -2.248 1.832 170 1HD1 LEU 20 1HD1 LEU 20 -5.443 -0.680 0.092 171 2HD1 LEU 20 2HD1 LEU 20 -4.605 -1.768 -1.013 172 3HD1 LEU 20 3HD1 LEU 20 -5.651 -2.425 0.245 173 1HD2 LEU 20 1HD2 LEU 20 -2.213 -1.848 -0.503 174 2HD2 LEU 20 2HD2 LEU 20 -1.828 -2.585 1.052 175 3HD2 LEU 20 3HD2 LEU 20 -2.941 -3.390 -0.054 176 H GLN 21 H GLN 21 -3.032 2.237 3.042 177 HA GLN 21 HA GLN 21 -0.799 3.440 1.844 178 1HB GLN 21 1HB GLN 21 -3.051 4.485 2.543 179 2HB GLN 21 2HB GLN 21 -2.317 4.677 4.129 180 1HG GLN 21 1HG GLN 21 -0.420 5.715 2.430 181 2HG GLN 21 2HG GLN 21 -1.942 6.218 1.696 182 2HE2 GLN 21 2HE2 GLN 21 -0.660 5.891 4.994 183 1HE2 GLN 21 1HE2 GLN 21 -1.151 7.461 5.523 184 H LYS 22 H LYS 22 -1.459 2.639 5.243 185 HA LYS 22 HA LYS 22 0.926 3.697 6.297 186 1HB LYS 22 1HB LYS 22 -1.237 1.948 7.224 187 2HB LYS 22 2HB LYS 22 0.316 1.605 7.974 188 1HG LYS 22 1HG LYS 22 -1.036 4.295 7.911 189 2HG LYS 22 2HG LYS 22 -1.012 3.186 9.283 190 1HD LYS 22 1HD LYS 22 0.798 4.363 9.913 191 2HD LYS 22 2HD LYS 22 1.637 3.381 8.711 192 1HE LYS 22 1HE LYS 22 1.879 5.105 7.278 193 2HE LYS 22 2HE LYS 22 0.299 5.785 7.666 194 1HZ LYS 22 1HZ LYS 22 2.037 6.011 9.887 195 2HZ LYS 22 2HZ LYS 22 2.767 6.689 8.521 196 3HZ LYS 22 3HZ LYS 22 1.247 7.234 9.024 197 H GLU 23 H GLU 23 0.163 0.617 4.816 198 HA GLU 23 HA GLU 23 2.521 -0.747 5.598 199 1HB GLU 23 1HB GLU 23 0.325 -1.190 3.663 200 2HB GLU 23 2HB GLU 23 1.837 -2.017 3.318 201 1HG GLU 23 1HG GLU 23 1.782 -3.012 5.565 202 2HG GLU 23 2HG GLU 23 0.232 -2.224 5.854 203 H ILE 24 H ILE 24 1.703 1.279 2.831 204 HA ILE 24 HA ILE 24 4.026 0.709 1.323 205 HB ILE 24 HB ILE 24 3.343 2.276 -0.192 206 1HG1 ILE 24 1HG1 ILE 24 1.888 4.324 0.584 207 2HG1 ILE 24 2HG1 ILE 24 2.601 3.985 2.156 208 1HG2 ILE 24 1HG2 ILE 24 1.397 0.772 0.653 209 2HG2 ILE 24 2HG2 ILE 24 0.718 2.300 1.213 210 3HG2 ILE 24 3HG2 ILE 24 1.080 2.071 -0.496 211 1HD1 ILE 24 1HD1 ILE 24 4.689 3.964 0.254 212 2HD1 ILE 24 2HD1 ILE 24 3.710 5.404 -0.031 213 3HD1 ILE 24 3HD1 ILE 24 4.404 5.111 1.564 214 H GLU 25 H GLU 25 3.286 3.139 3.768 215 HA GLU 25 HA GLU 25 5.652 4.641 3.563 216 1HB GLU 25 1HB GLU 25 3.381 4.877 5.020 217 2HB GLU 25 2HB GLU 25 4.486 4.307 6.262 218 1HG GLU 25 1HG GLU 25 5.264 6.358 6.495 219 2HG GLU 25 2HG GLU 25 5.825 6.330 4.824 220 H ARG 26 H ARG 26 4.838 1.762 5.441 221 HA ARG 26 HA ARG 26 7.164 1.593 6.981 222 1HB ARG 26 1HB ARG 26 4.923 0.153 6.912 223 2HB ARG 26 2HB ARG 26 5.932 -0.917 5.948 224 1HG ARG 26 1HG ARG 26 7.615 -0.620 7.930 225 2HG ARG 26 2HG ARG 26 6.158 -0.176 8.821 226 1HD ARG 26 1HD ARG 26 6.539 -2.528 9.099 227 2HD ARG 26 2HD ARG 26 5.120 -2.303 8.078 228 HE ARG 26 HE ARG 26 7.284 -2.558 6.374 229 1HH1 ARG 26 1HH1 ARG 26 5.677 -4.484 8.789 230 2HH1 ARG 26 2HH1 ARG 26 6.082 -5.993 8.041 231 1HH2 ARG 26 1HH2 ARG 26 7.822 -4.539 5.380 232 2HH2 ARG 26 2HH2 ARG 26 7.302 -6.024 6.102 233 H HIS 27 H HIS 27 6.440 0.415 3.724 234 HA HIS 27 HA HIS 27 8.901 -0.935 3.341 235 1HB HIS 27 1HB HIS 27 6.524 -0.488 1.853 236 2HB HIS 27 2HB HIS 27 7.871 0.045 0.854 237 HD1 HIS 27 HD1 HIS 27 9.738 -1.797 0.356 238 HD2 HIS 27 HD2 HIS 27 6.205 -3.204 2.031 239 HE1 HIS 27 HE1 HIS 27 9.757 -4.282 -0.024 240 HE2 HIS 27 HE2 HIS 27 7.610 -5.115 0.998 241 H LYS 28 H LYS 28 7.897 2.373 3.118 242 HA LYS 28 HA LYS 28 10.072 3.301 1.531 243 1HB LYS 28 1HB LYS 28 7.701 4.381 2.316 244 2HB LYS 28 2HB LYS 28 8.816 5.207 3.396 245 1HG LYS 28 1HG LYS 28 9.977 5.292 0.838 246 2HG LYS 28 2HG LYS 28 8.273 5.703 0.637 247 1HD LYS 28 1HD LYS 28 9.617 6.975 2.927 248 2HD LYS 28 2HD LYS 28 10.196 7.475 1.337 249 1HE LYS 28 1HE LYS 28 7.708 7.775 0.758 250 2HE LYS 28 2HE LYS 28 7.441 7.712 2.499 251 1HZ LYS 28 1HZ LYS 28 9.524 9.488 2.084 252 2HZ LYS 28 2HZ LYS 28 8.354 9.871 0.924 253 3HZ LYS 28 3HZ LYS 28 7.943 9.853 2.564 254 H GLN 29 H GLN 29 9.522 2.805 4.942 255 HA GLN 29 HA GLN 29 11.754 4.299 5.871 256 1HB GLN 29 1HB GLN 29 9.637 3.309 7.126 257 2HB GLN 29 2HB GLN 29 10.727 1.958 7.408 258 1HG GLN 29 1HG GLN 29 11.173 3.170 9.265 259 2HG GLN 29 2HG GLN 29 12.348 3.903 8.173 260 2HE2 GLN 29 2HE2 GLN 29 12.206 5.683 9.717 261 1HE2 GLN 29 1HE2 GLN 29 10.956 6.858 9.520 262 H SER 30 H SER 30 11.247 0.895 5.053 263 HA SER 30 HA SER 30 13.814 0.011 5.875 264 1HB SER 30 1HB SER 30 11.473 -1.174 4.838 265 2HB SER 30 2HB SER 30 12.772 -1.593 3.720 266 HG SER 30 HG SER 30 13.461 -2.948 5.153 267 H ILE 31 H ILE 31 12.506 1.021 2.743 268 HA ILE 31 HA ILE 31 14.897 0.536 1.279 269 HB ILE 31 HB ILE 31 12.756 0.631 0.140 270 1HG1 ILE 31 1HG1 ILE 31 13.338 2.384 -1.631 271 2HG1 ILE 31 2HG1 ILE 31 14.745 2.761 -0.639 272 1HG2 ILE 31 1HG2 ILE 31 11.791 2.401 1.648 273 2HG2 ILE 31 2HG2 ILE 31 12.696 3.590 0.714 274 3HG2 ILE 31 3HG2 ILE 31 11.451 2.616 -0.066 275 1HD1 ILE 31 1HD1 ILE 31 15.275 0.262 -0.809 276 2HD1 ILE 31 2HD1 ILE 31 14.108 0.257 -2.132 277 3HD1 ILE 31 3HD1 ILE 31 15.545 1.275 -2.227 278 H LYS 32 H LYS 32 13.768 3.156 3.241 279 HA LYS 32 HA LYS 32 15.559 5.125 2.161 280 1HB LYS 32 1HB LYS 32 13.719 5.005 4.526 281 2HB LYS 32 2HB LYS 32 14.901 6.300 4.399 282 1HG LYS 32 1HG LYS 32 13.930 7.119 2.405 283 2HG LYS 32 2HG LYS 32 12.930 5.677 2.220 284 1HD LYS 32 1HD LYS 32 11.656 7.623 3.052 285 2HD LYS 32 2HD LYS 32 11.647 6.268 4.182 286 1HE LYS 32 1HE LYS 32 12.021 8.191 5.493 287 2HE LYS 32 2HE LYS 32 13.590 7.400 5.343 288 1HZ LYS 32 1HZ LYS 32 13.185 9.253 3.232 289 2HZ LYS 32 2HZ LYS 32 12.987 10.015 4.729 290 3HZ LYS 32 3HZ LYS 32 14.426 9.197 4.379 291 H LYS 33 H LYS 33 15.584 2.866 4.853 292 HA LYS 33 HA LYS 33 18.008 3.929 5.985 293 1HB LYS 33 1HB LYS 33 16.263 2.799 7.352 294 2HB LYS 33 2HB LYS 33 16.642 1.289 6.536 295 1HG LYS 33 1HG LYS 33 17.790 1.181 8.565 296 2HG LYS 33 2HG LYS 33 19.021 1.616 7.378 297 1HD LYS 33 1HD LYS 33 19.217 3.766 8.171 298 2HD LYS 33 2HD LYS 33 17.576 3.790 8.819 299 1HE LYS 33 1HE LYS 33 18.283 3.121 10.821 300 2HE LYS 33 2HE LYS 33 19.169 1.767 10.118 301 1HZ LYS 33 1HZ LYS 33 20.886 3.561 9.509 302 2HZ LYS 33 2HZ LYS 33 20.115 4.499 10.688 303 3HZ LYS 33 3HZ LYS 33 20.817 3.019 11.110 304 H LEU 34 H LEU 34 17.140 1.516 3.653 305 HA LEU 34 HA LEU 34 19.701 0.194 3.694 306 1HB LEU 34 1HB LEU 34 17.112 -0.234 2.482 307 2HB LEU 34 2HB LEU 34 18.389 -0.429 1.297 308 HG LEU 34 HG LEU 34 18.444 -1.852 3.948 309 1HD1 LEU 34 1HD1 LEU 34 16.359 -2.382 2.683 310 2HD1 LEU 34 2HD1 LEU 34 17.373 -2.962 1.361 311 3HD1 LEU 34 3HD1 LEU 34 17.431 -3.759 2.933 312 1HD2 LEU 34 1HD2 LEU 34 20.510 -1.581 2.478 313 2HD2 LEU 34 2HD2 LEU 34 20.082 -3.219 2.972 314 3HD2 LEU 34 3HD2 LEU 34 19.700 -2.660 1.344 315 H LYS 35 H LYS 35 18.181 2.799 1.960 316 HA LYS 35 HA LYS 35 20.145 2.877 -0.144 317 1HB LYS 35 1HB LYS 35 17.729 4.415 0.602 318 2HB LYS 35 2HB LYS 35 18.961 5.304 -0.283 319 1HG LYS 35 1HG LYS 35 18.906 3.407 -1.969 320 2HG LYS 35 2HG LYS 35 17.435 2.872 -1.154 321 1HD LYS 35 1HD LYS 35 16.630 5.300 -1.499 322 2HD LYS 35 2HD LYS 35 17.932 5.401 -2.687 323 1HE LYS 35 1HE LYS 35 16.983 3.702 -4.018 324 2HE LYS 35 2HE LYS 35 15.879 3.207 -2.736 325 1HZ LYS 35 1HZ LYS 35 14.799 5.411 -2.963 326 2HZ LYS 35 2HZ LYS 35 15.776 5.722 -4.309 327 3HZ LYS 35 3HZ LYS 35 14.664 4.448 -4.348 328 H GLN 36 H GLN 36 19.574 4.534 2.906 329 HA GLN 36 HA GLN 36 21.695 6.433 2.517 330 1HB GLN 36 1HB GLN 36 19.508 6.337 4.157 331 2HB GLN 36 2HB GLN 36 20.802 5.925 5.273 332 1HG GLN 36 1HG GLN 36 21.988 7.968 4.656 333 2HG GLN 36 2HG GLN 36 20.688 8.382 3.538 334 2HE2 GLN 36 2HE2 GLN 36 18.475 8.431 4.579 335 1HE2 GLN 36 1HE2 GLN 36 18.368 9.189 6.128 336 H SER 37 H SER 37 21.348 3.272 3.933 337 HA SER 37 HA SER 37 23.862 3.353 5.333 338 1HB SER 37 1HB SER 37 23.428 0.979 5.803 339 2HB SER 37 2HB SER 37 22.006 1.960 6.155 340 HG SER 37 HG SER 37 22.286 -0.077 4.408 341 H GLU 38 H GLU 38 22.743 2.453 2.178 342 HA GLU 38 HA GLU 38 25.050 0.879 1.499 343 1HB GLU 38 1HB GLU 38 22.516 1.571 0.279 344 2HB GLU 38 2HB GLU 38 23.834 1.730 -0.875 345 1HG GLU 38 1HG GLU 38 24.417 -0.659 0.276 346 2HG GLU 38 2HG GLU 38 22.654 -0.664 0.326 347 H ASP 39 H ASP 39 24.181 4.226 1.407 348 HA ASP 39 HA ASP 39 26.131 5.020 -0.533 349 1HB ASP 39 1HB ASP 39 23.985 6.248 0.854 350 2HB ASP 39 2HB ASP 39 25.437 7.176 1.226 351 H ASP 40 H ASP 40 26.101 4.534 2.911 352 HA ASP 40 HA ASP 40 28.849 5.580 3.078 353 1HB ASP 40 1HB ASP 40 27.270 6.724 4.568 354 2HB ASP 40 2HB ASP 40 26.822 5.181 5.290 355 H ASP 41 H ASP 41 30.380 4.086 3.124 356 HA ASP 41 HA ASP 41 29.922 1.336 3.327 357 1HB ASP 41 1HB ASP 41 32.141 3.039 2.856 358 2HB ASP 41 2HB ASP 41 32.602 1.935 4.148 359 H1 ALA 1 H1 ALA 1 27.988 -12.757 0.654 360 H2 ALA 1 H2 ALA 1 28.655 -13.955 -0.378 361 H3 ALA 1 H3 ALA 1 28.521 -14.253 1.304 362 HA ALA 1 HA ALA 1 30.257 -12.998 1.836 363 1HB ALA 1 1HB ALA 1 31.473 -14.538 0.708 364 2HB ALA 1 2HB ALA 1 30.616 -14.266 -0.809 365 3HB ALA 1 3HB ALA 1 31.873 -13.142 -0.292 366 H LEU 2 H LEU 2 29.693 -12.056 -1.563 367 HA LEU 2 HA LEU 2 30.811 -9.471 -1.218 368 1HB LEU 2 1HB LEU 2 28.860 -10.029 -3.402 369 2HB LEU 2 2HB LEU 2 30.364 -9.127 -3.454 370 HG LEU 2 HG LEU 2 31.222 -11.686 -2.912 371 1HD1 LEU 2 1HD1 LEU 2 28.602 -11.987 -3.790 372 2HD1 LEU 2 2HD1 LEU 2 29.595 -12.329 -5.206 373 3HD1 LEU 2 3HD1 LEU 2 29.846 -13.234 -3.713 374 1HD2 LEU 2 1HD2 LEU 2 31.375 -9.752 -5.003 375 2HD2 LEU 2 2HD2 LEU 2 32.524 -11.020 -4.579 376 3HD2 LEU 2 3HD2 LEU 2 31.217 -11.358 -5.713 377 H LYS 3 H LYS 3 29.644 -7.428 -1.535 378 HA LYS 3 HA LYS 3 27.079 -7.483 -0.105 379 1HB LYS 3 1HB LYS 3 29.361 -5.601 -0.191 380 2HB LYS 3 2HB LYS 3 27.764 -4.871 -0.090 381 1HG LYS 3 1HG LYS 3 28.899 -6.906 1.817 382 2HG LYS 3 2HG LYS 3 28.741 -5.174 2.115 383 1HD LYS 3 1HD LYS 3 26.587 -5.375 2.673 384 2HD LYS 3 2HD LYS 3 26.240 -6.378 1.263 385 1HE LYS 3 1HE LYS 3 26.013 -8.104 2.646 386 2HE LYS 3 2HE LYS 3 27.744 -8.001 2.959 387 1HZ LYS 3 1HZ LYS 3 25.785 -6.375 4.465 388 2HZ LYS 3 2HZ LYS 3 26.212 -7.937 4.953 389 3HZ LYS 3 3HZ LYS 3 27.389 -6.725 4.870 390 H LYS 4 H LYS 4 27.516 -7.933 -3.029 391 HA LYS 4 HA LYS 4 26.462 -5.603 -4.343 392 1HB LYS 4 1HB LYS 4 26.538 -8.388 -5.488 393 2HB LYS 4 2HB LYS 4 26.586 -6.855 -6.349 394 1HG LYS 4 1HG LYS 4 28.799 -6.853 -4.623 395 2HG LYS 4 2HG LYS 4 28.747 -8.451 -5.371 396 1HD LYS 4 1HD LYS 4 29.420 -7.640 -7.337 397 2HD LYS 4 2HD LYS 4 28.212 -6.354 -7.294 398 1HE LYS 4 1HE LYS 4 30.692 -5.689 -7.343 399 2HE LYS 4 2HE LYS 4 29.637 -4.886 -6.181 400 1HZ LYS 4 1HZ LYS 4 31.033 -7.305 -5.313 401 2HZ LYS 4 2HZ LYS 4 31.944 -5.891 -5.479 402 3HZ LYS 4 3HZ LYS 4 30.616 -5.924 -4.430 403 H HIS 5 H HIS 5 25.205 -8.732 -3.284 404 HA HIS 5 HA HIS 5 22.691 -8.686 -4.414 405 1HB HIS 5 1HB HIS 5 21.971 -10.040 -2.427 406 2HB HIS 5 2HB HIS 5 23.430 -10.630 -3.218 407 HD1 HIS 5 HD1 HIS 5 22.118 -9.773 0.030 408 HD2 HIS 5 HD2 HIS 5 25.867 -9.757 -1.764 409 HE1 HIS 5 HE1 HIS 5 23.770 -9.699 1.925 410 HE2 HIS 5 HE2 HIS 5 26.033 -9.689 0.816 411 H HIS 6 H HIS 6 23.959 -6.719 -1.868 412 HA HIS 6 HA HIS 6 21.591 -5.937 -0.596 413 1HB HIS 6 1HB HIS 6 24.329 -4.800 -0.863 414 2HB HIS 6 2HB HIS 6 23.057 -3.719 -0.302 415 HD1 HIS 6 HD1 HIS 6 24.028 -7.302 0.579 416 HD2 HIS 6 HD2 HIS 6 23.083 -3.683 2.391 417 HE1 HIS 6 HE1 HIS 6 24.140 -7.739 3.053 418 HE2 HIS 6 HE2 HIS 6 23.566 -5.535 4.131 419 H GLU 7 H GLU 7 23.340 -4.396 -3.290 420 HA GLU 7 HA GLU 7 21.613 -2.259 -3.703 421 1HB GLU 7 1HB GLU 7 23.905 -2.911 -4.823 422 2HB GLU 7 2HB GLU 7 22.867 -3.630 -6.047 423 1HG GLU 7 1HG GLU 7 21.706 -1.354 -6.133 424 2HG GLU 7 2HG GLU 7 23.111 -0.753 -5.252 425 H ASN 8 H ASN 8 21.223 -5.612 -4.448 426 HA ASN 8 HA ASN 8 19.164 -5.298 -6.402 427 1HB ASN 8 1HB ASN 8 19.675 -7.716 -4.659 428 2HB ASN 8 2HB ASN 8 18.852 -7.677 -6.215 429 2HD2 ASN 8 2HD2 ASN 8 20.571 -9.438 -6.417 430 1HD2 ASN 8 1HD2 ASN 8 22.077 -8.943 -7.103 431 H GLU 9 H GLU 9 19.079 -6.400 -3.008 432 HA GLU 9 HA GLU 9 16.302 -6.400 -2.731 433 1HB GLU 9 1HB GLU 9 18.620 -6.502 -0.956 434 2HB GLU 9 2HB GLU 9 17.241 -5.694 -0.225 435 1HG GLU 9 1HG GLU 9 17.389 -8.497 -1.287 436 2HG GLU 9 2HG GLU 9 17.102 -7.973 0.372 437 H ILE 10 H ILE 10 18.533 -3.792 -2.925 438 HA ILE 10 HA ILE 10 16.954 -1.849 -1.570 439 HB ILE 10 HB ILE 10 19.562 -1.988 -2.617 440 1HG1 ILE 10 1HG1 ILE 10 18.916 0.636 -1.608 441 2HG1 ILE 10 2HG1 ILE 10 18.131 -0.616 -0.650 442 1HG2 ILE 10 1HG2 ILE 10 18.016 0.205 -3.971 443 2HG2 ILE 10 2HG2 ILE 10 19.763 0.262 -3.733 444 3HG2 ILE 10 3HG2 ILE 10 19.048 -1.022 -4.708 445 1HD1 ILE 10 1HD1 ILE 10 20.777 -1.466 -1.112 446 2HD1 ILE 10 2HD1 ILE 10 20.844 0.226 -0.617 447 3HD1 ILE 10 3HD1 ILE 10 20.038 -0.961 0.408 448 H SER 11 H SER 11 17.619 -2.429 -5.031 449 HA SER 11 HA SER 11 15.811 -0.521 -6.010 450 1HB SER 11 1HB SER 11 17.362 -2.757 -7.109 451 2HB SER 11 2HB SER 11 15.857 -2.446 -7.975 452 HG SER 11 HG SER 11 16.788 -0.779 -8.823 453 H HIS 12 H HIS 12 15.337 -3.717 -4.766 454 HA HIS 12 HA HIS 12 12.767 -4.133 -5.930 455 1HB HIS 12 1HB HIS 12 13.433 -6.202 -5.339 456 2HB HIS 12 2HB HIS 12 14.607 -5.580 -4.192 457 HD1 HIS 12 HD1 HIS 12 11.110 -6.893 -4.424 458 HD2 HIS 12 HD2 HIS 12 13.771 -5.553 -1.530 459 HE1 HIS 12 HE1 HIS 12 10.092 -7.551 -2.220 460 HE2 HIS 12 HE2 HIS 12 11.719 -6.731 -0.480 461 H HIS 13 H HIS 13 13.867 -3.121 -2.685 462 HA HIS 13 HA HIS 13 11.318 -2.808 -1.564 463 1HB HIS 13 1HB HIS 13 13.844 -1.267 -0.958 464 2HB HIS 13 2HB HIS 13 12.403 -1.278 0.047 465 HD1 HIS 13 HD1 HIS 13 12.019 -4.470 -0.301 466 HD2 HIS 13 HD2 HIS 13 15.396 -2.430 0.979 467 HE1 HIS 13 HE1 HIS 13 13.321 -6.132 1.068 468 HE2 HIS 13 HE2 HIS 13 15.370 -4.877 1.835 469 H ALA 14 H ALA 14 13.189 -0.780 -3.697 470 HA ALA 14 HA ALA 14 11.770 1.632 -3.315 471 1HB ALA 14 1HB ALA 14 13.988 0.916 -4.727 472 2HB ALA 14 2HB ALA 14 12.813 1.170 -6.018 473 3HB ALA 14 3HB ALA 14 13.159 2.466 -4.873 474 H LYS 15 H LYS 15 11.503 -0.833 -5.883 475 HA LYS 15 HA LYS 15 9.197 0.297 -7.062 476 1HB LYS 15 1HB LYS 15 10.527 -2.386 -7.191 477 2HB LYS 15 2HB LYS 15 8.937 -2.170 -7.912 478 1HG LYS 15 1HG LYS 15 11.476 -0.722 -8.623 479 2HG LYS 15 2HG LYS 15 10.577 -1.873 -9.614 480 1HD LYS 15 1HD LYS 15 8.631 -0.244 -9.475 481 2HD LYS 15 2HD LYS 15 9.785 0.918 -8.820 482 1HE LYS 15 1HE LYS 15 10.347 -0.514 -11.389 483 2HE LYS 15 2HE LYS 15 9.308 0.911 -11.364 484 1HZ LYS 15 1HZ LYS 15 11.558 1.555 -9.888 485 2HZ LYS 15 2HZ LYS 15 12.129 0.772 -11.275 486 3HZ LYS 15 3HZ LYS 15 11.137 2.133 -11.421 487 H GLU 16 H GLU 16 9.638 -1.411 -4.149 488 HA GLU 16 HA GLU 16 6.972 -2.513 -4.050 489 1HB GLU 16 1HB GLU 16 9.432 -2.812 -2.561 490 2HB GLU 16 2HB GLU 16 8.077 -2.548 -1.472 491 1HG GLU 16 1HG GLU 16 8.430 -4.740 -3.492 492 2HG GLU 16 2HG GLU 16 8.291 -4.880 -1.741 493 H ILE 17 H ILE 17 8.693 0.312 -2.821 494 HA ILE 17 HA ILE 17 6.545 1.091 -1.079 495 HB ILE 17 HB ILE 17 7.820 2.935 -0.472 496 1HG1 ILE 17 1HG1 ILE 17 9.890 3.538 -2.043 497 2HG1 ILE 17 2HG1 ILE 17 8.843 2.853 -3.280 498 1HG2 ILE 17 1HG2 ILE 17 9.051 0.479 -0.627 499 2HG2 ILE 17 2HG2 ILE 17 10.263 1.591 -1.264 500 3HG2 ILE 17 3HG2 ILE 17 9.580 1.855 0.339 501 1HD1 ILE 17 1HD1 ILE 17 7.548 4.797 -1.510 502 2HD1 ILE 17 2HD1 ILE 17 8.839 5.444 -2.523 503 3HD1 ILE 17 3HD1 ILE 17 7.468 4.618 -3.264 504 H GLU 18 H GLU 18 7.564 1.858 -4.353 505 HA GLU 18 HA GLU 18 5.604 3.930 -4.713 506 1HB GLU 18 1HB GLU 18 7.610 2.555 -6.443 507 2HB GLU 18 2HB GLU 18 6.280 3.399 -7.223 508 1HG GLU 18 1HG GLU 18 6.911 5.447 -5.994 509 2HG GLU 18 2HG GLU 18 8.297 4.583 -5.329 510 H ARG 19 H ARG 19 5.915 0.513 -5.535 511 HA ARG 19 HA ARG 19 3.483 0.383 -7.022 512 1HB ARG 19 1HB ARG 19 5.294 -1.242 -7.356 513 2HB ARG 19 2HB ARG 19 5.087 -1.820 -5.708 514 1HG ARG 19 1HG ARG 19 2.722 -1.876 -7.496 515 2HG ARG 19 2HG ARG 19 4.006 -3.054 -7.780 516 1HD ARG 19 1HD ARG 19 3.744 -3.252 -5.102 517 2HD ARG 19 2HD ARG 19 2.093 -2.825 -5.547 518 HE ARG 19 HE ARG 19 3.336 -5.334 -5.914 519 1HH1 ARG 19 1HH1 ARG 19 1.179 -3.103 -7.495 520 2HH1 ARG 19 2HH1 ARG 19 0.355 -4.334 -8.392 521 1HH2 ARG 19 1HH2 ARG 19 2.257 -6.964 -7.091 522 2HH2 ARG 19 2HH2 ARG 19 0.968 -6.529 -8.162 523 H LEU 20 H LEU 20 4.345 0.164 -3.670 524 HA LEU 20 HA LEU 20 1.968 -1.127 -2.778 525 1HB LEU 20 1HB LEU 20 4.240 0.312 -1.504 526 2HB LEU 20 2HB LEU 20 2.765 0.141 -0.572 527 HG LEU 20 HG LEU 20 4.078 -2.247 -1.833 528 1HD1 LEU 20 1HD1 LEU 20 5.445 -0.679 -0.093 529 2HD1 LEU 20 2HD1 LEU 20 4.607 -1.768 1.012 530 3HD1 LEU 20 3HD1 LEU 20 5.654 -2.424 -0.246 531 1HD2 LEU 20 1HD2 LEU 20 2.215 -1.848 0.503 532 2HD2 LEU 20 2HD2 LEU 20 1.829 -2.585 -1.052 533 3HD2 LEU 20 3HD2 LEU 20 2.943 -3.390 0.052 534 H GLN 21 H GLN 21 3.032 2.238 -3.041 535 HA GLN 21 HA GLN 21 0.799 3.441 -1.843 536 1HB GLN 21 1HB GLN 21 3.051 4.486 -2.542 537 2HB GLN 21 2HB GLN 21 2.316 4.679 -4.128 538 1HG GLN 21 1HG GLN 21 0.419 5.716 -2.429 539 2HG GLN 21 2HG GLN 21 1.942 6.219 -1.696 540 2HE2 GLN 21 2HE2 GLN 21 0.659 5.892 -4.993 541 1HE2 GLN 21 1HE2 GLN 21 1.151 7.462 -5.522 542 H LYS 22 H LYS 22 1.459 2.641 -5.242 543 HA LYS 22 HA LYS 22 -0.926 3.699 -6.295 544 1HB LYS 22 1HB LYS 22 1.236 1.950 -7.223 545 2HB LYS 22 2HB LYS 22 -0.317 1.608 -7.974 546 1HG LYS 22 1HG LYS 22 1.035 4.298 -7.909 547 2HG LYS 22 2HG LYS 22 1.011 3.188 -9.282 548 1HD LYS 22 1HD LYS 22 -0.800 4.366 -9.911 549 2HD LYS 22 2HD LYS 22 -1.639 3.382 -8.709 550 1HE LYS 22 1HE LYS 22 -1.881 5.107 -7.277 551 2HE LYS 22 2HE LYS 22 -0.300 5.786 -7.664 552 1HZ LYS 22 1HZ LYS 22 -2.039 6.014 -9.885 553 2HZ LYS 22 2HZ LYS 22 -2.769 6.692 -8.518 554 3HZ LYS 22 3HZ LYS 22 -1.249 7.237 -9.022 555 H GLU 23 H GLU 23 -0.164 0.619 -4.815 556 HA GLU 23 HA GLU 23 -2.522 -0.746 -5.598 557 1HB GLU 23 1HB GLU 23 -0.325 -1.189 -3.663 558 2HB GLU 23 2HB GLU 23 -1.837 -2.016 -3.318 559 1HG GLU 23 1HG GLU 23 -1.783 -3.011 -5.564 560 2HG GLU 23 2HG GLU 23 -0.232 -2.222 -5.855 561 H ILE 24 H ILE 24 -1.703 1.280 -2.830 562 HA ILE 24 HA ILE 24 -4.026 0.710 -1.322 563 HB ILE 24 HB ILE 24 -3.342 2.275 0.193 564 1HG1 ILE 24 1HG1 ILE 24 -1.887 4.324 -0.583 565 2HG1 ILE 24 2HG1 ILE 24 -2.602 3.985 -2.155 566 1HG2 ILE 24 1HG2 ILE 24 -1.396 0.771 -0.653 567 2HG2 ILE 24 2HG2 ILE 24 -0.718 2.300 -1.211 568 3HG2 ILE 24 3HG2 ILE 24 -1.080 2.070 0.496 569 1HD1 ILE 24 1HD1 ILE 24 -4.689 3.964 -0.251 570 2HD1 ILE 24 2HD1 ILE 24 -3.709 5.405 0.033 571 3HD1 ILE 24 3HD1 ILE 24 -4.403 5.113 -1.562 572 H GLU 25 H GLU 25 -3.286 3.140 -3.767 573 HA GLU 25 HA GLU 25 -5.652 4.642 -3.561 574 1HB GLU 25 1HB GLU 25 -3.381 4.877 -5.018 575 2HB GLU 25 2HB GLU 25 -4.487 4.309 -6.260 576 1HG GLU 25 1HG GLU 25 -5.264 6.360 -6.493 577 2HG GLU 25 2HG GLU 25 -5.825 6.332 -4.822 578 H ARG 26 H ARG 26 -4.839 1.763 -5.440 579 HA ARG 26 HA ARG 26 -7.165 1.595 -6.980 580 1HB ARG 26 1HB ARG 26 -4.924 0.155 -6.912 581 2HB ARG 26 2HB ARG 26 -5.932 -0.915 -5.948 582 1HG ARG 26 1HG ARG 26 -7.616 -0.616 -7.929 583 2HG ARG 26 2HG ARG 26 -6.159 -0.173 -8.821 584 1HD ARG 26 1HD ARG 26 -6.542 -2.525 -9.098 585 2HD ARG 26 2HD ARG 26 -5.122 -2.301 -8.079 586 HE ARG 26 HE ARG 26 -7.285 -2.555 -6.373 587 1HH1 ARG 26 1HH1 ARG 26 -5.679 -4.482 -8.789 588 2HH1 ARG 26 2HH1 ARG 26 -6.083 -5.991 -8.041 589 1HH2 ARG 26 1HH2 ARG 26 -7.822 -4.537 -5.378 590 2HH2 ARG 26 2HH2 ARG 26 -7.302 -6.022 -6.101 591 H HIS 27 H HIS 27 -6.440 0.416 -3.724 592 HA HIS 27 HA HIS 27 -8.902 -0.934 -3.341 593 1HB HIS 27 1HB HIS 27 -6.524 -0.488 -1.853 594 2HB HIS 27 2HB HIS 27 -7.871 0.045 -0.853 595 HD1 HIS 27 HD1 HIS 27 -9.738 -1.797 -0.357 596 HD2 HIS 27 HD2 HIS 27 -6.205 -3.203 -2.032 597 HE1 HIS 27 HE1 HIS 27 -9.758 -4.282 0.023 598 HE2 HIS 27 HE2 HIS 27 -7.610 -5.114 -0.999 599 H LYS 28 H LYS 28 -7.897 2.374 -3.117 600 HA LYS 28 HA LYS 28 -10.072 3.302 -1.529 601 1HB LYS 28 1HB LYS 28 -7.700 4.382 -2.314 602 2HB LYS 28 2HB LYS 28 -8.816 5.207 -3.393 603 1HG LYS 28 1HG LYS 28 -9.976 5.292 -0.835 604 2HG LYS 28 2HG LYS 28 -8.272 5.703 -0.635 605 1HD LYS 28 1HD LYS 28 -9.616 6.975 -2.924 606 2HD LYS 28 2HD LYS 28 -10.196 7.475 -1.334 607 1HE LYS 28 1HE LYS 28 -7.709 7.774 -0.753 608 2HE LYS 28 2HE LYS 28 -7.440 7.712 -2.495 609 1HZ LYS 28 1HZ LYS 28 -9.524 9.489 -2.079 610 2HZ LYS 28 2HZ LYS 28 -8.354 9.872 -0.920 611 3HZ LYS 28 3HZ LYS 28 -7.943 9.854 -2.560 612 H GLN 29 H GLN 29 -9.523 2.807 -4.940 613 HA GLN 29 HA GLN 29 -11.755 4.302 -5.868 614 1HB GLN 29 1HB GLN 29 -9.639 3.311 -7.125 615 2HB GLN 29 2HB GLN 29 -10.728 1.961 -7.406 616 1HG GLN 29 1HG GLN 29 -11.175 3.173 -9.263 617 2HG GLN 29 2HG GLN 29 -12.349 3.905 -8.171 618 2HE2 GLN 29 2HE2 GLN 29 -12.208 5.686 -9.713 619 1HE2 GLN 29 1HE2 GLN 29 -10.958 6.862 -9.516 620 H SER 30 H SER 30 -11.248 0.897 -5.052 621 HA SER 30 HA SER 30 -13.816 0.014 -5.873 622 1HB SER 30 1HB SER 30 -11.474 -1.172 -4.840 623 2HB SER 30 2HB SER 30 -12.770 -1.590 -3.719 624 HG SER 30 HG SER 30 -13.461 -2.947 -5.152 625 H ILE 31 H ILE 31 -12.506 1.024 -2.742 626 HA ILE 31 HA ILE 31 -14.896 0.536 -1.277 627 HB ILE 31 HB ILE 31 -12.755 0.632 -0.139 628 1HG1 ILE 31 1HG1 ILE 31 -13.337 2.383 1.633 629 2HG1 ILE 31 2HG1 ILE 31 -14.744 2.762 0.642 630 1HG2 ILE 31 1HG2 ILE 31 -11.791 2.403 -1.647 631 2HG2 ILE 31 2HG2 ILE 31 -12.696 3.590 -0.712 632 3HG2 ILE 31 3HG2 ILE 31 -11.451 2.617 0.067 633 1HD1 ILE 31 1HD1 ILE 31 -15.275 0.262 0.809 634 2HD1 ILE 31 2HD1 ILE 31 -14.108 0.255 2.132 635 3HD1 ILE 31 3HD1 ILE 31 -15.544 1.275 2.230 636 H LYS 32 H LYS 32 -13.768 3.158 -3.237 637 HA LYS 32 HA LYS 32 -15.559 5.126 -2.156 638 1HB LYS 32 1HB LYS 32 -13.721 5.006 -4.522 639 2HB LYS 32 2HB LYS 32 -14.902 6.302 -4.394 640 1HG LYS 32 1HG LYS 32 -13.930 7.120 -2.401 641 2HG LYS 32 2HG LYS 32 -12.931 5.678 -2.215 642 1HD LYS 32 1HD LYS 32 -11.655 7.622 -3.048 643 2HD LYS 32 2HD LYS 32 -11.648 6.269 -4.179 644 1HE LYS 32 1HE LYS 32 -12.021 8.194 -5.487 645 2HE LYS 32 2HE LYS 32 -13.589 7.403 -5.340 646 1HZ LYS 32 1HZ LYS 32 -13.186 9.254 -3.226 647 2HZ LYS 32 2HZ LYS 32 -12.988 10.018 -4.722 648 3HZ LYS 32 3HZ LYS 32 -14.426 9.197 -4.373 649 H LYS 33 H LYS 33 -15.585 2.868 -4.848 650 HA LYS 33 HA LYS 33 -18.009 3.931 -5.979 651 1HB LYS 33 1HB LYS 33 -16.264 2.800 -7.347 652 2HB LYS 33 2HB LYS 33 -16.643 1.291 -6.532 653 1HG LYS 33 1HG LYS 33 -17.791 1.183 -8.561 654 2HG LYS 33 2HG LYS 33 -19.021 1.617 -7.373 655 1HD LYS 33 1HD LYS 33 -19.218 3.768 -8.164 656 2HD LYS 33 2HD LYS 33 -17.578 3.792 -8.815 657 1HE LYS 33 1HE LYS 33 -18.286 3.123 -10.815 658 2HE LYS 33 2HE LYS 33 -19.171 1.770 -10.113 659 1HZ LYS 33 1HZ LYS 33 -20.888 3.563 -9.502 660 2HZ LYS 33 2HZ LYS 33 -20.117 4.503 -10.682 661 3HZ LYS 33 3HZ LYS 33 -20.820 3.022 -11.103 662 H LEU 34 H LEU 34 -17.140 1.517 -3.650 663 HA LEU 34 HA LEU 34 -19.701 0.196 -3.690 664 1HB LEU 34 1HB LEU 34 -17.112 -0.233 -2.478 665 2HB LEU 34 2HB LEU 34 -18.389 -0.431 -1.293 666 HG LEU 34 HG LEU 34 -18.445 -1.850 -3.947 667 1HD1 LEU 34 1HD1 LEU 34 -16.358 -2.380 -2.688 668 2HD1 LEU 34 2HD1 LEU 34 -17.367 -2.961 -1.364 669 3HD1 LEU 34 3HD1 LEU 34 -17.430 -3.758 -2.936 670 1HD2 LEU 34 1HD2 LEU 34 -20.510 -1.583 -2.474 671 2HD2 LEU 34 2HD2 LEU 34 -20.080 -3.220 -2.970 672 3HD2 LEU 34 3HD2 LEU 34 -19.697 -2.663 -1.341 673 H LYS 35 H LYS 35 -18.181 2.800 -1.957 674 HA LYS 35 HA LYS 35 -20.143 2.877 0.149 675 1HB LYS 35 1HB LYS 35 -17.726 4.414 -0.597 676 2HB LYS 35 2HB LYS 35 -18.959 5.304 0.287 677 1HG LYS 35 1HG LYS 35 -18.905 3.407 1.974 678 2HG LYS 35 2HG LYS 35 -17.434 2.872 1.159 679 1HD LYS 35 1HD LYS 35 -16.629 5.300 1.504 680 2HD LYS 35 2HD LYS 35 -17.930 5.401 2.693 681 1HE LYS 35 1HE LYS 35 -16.980 3.700 4.022 682 2HE LYS 35 2HE LYS 35 -15.876 3.208 2.740 683 1HZ LYS 35 1HZ LYS 35 -14.797 5.411 2.968 684 2HZ LYS 35 2HZ LYS 35 -15.774 5.722 4.313 685 3HZ LYS 35 3HZ LYS 35 -14.662 4.448 4.353 686 H GLN 36 H GLN 36 -19.573 4.534 -2.900 687 HA GLN 36 HA GLN 36 -21.694 6.434 -2.509 688 1HB GLN 36 1HB GLN 36 -19.509 6.339 -4.150 689 2HB GLN 36 2HB GLN 36 -20.802 5.928 -5.266 690 1HG GLN 36 1HG GLN 36 -21.989 7.970 -4.647 691 2HG GLN 36 2HG GLN 36 -20.689 8.384 -3.531 692 2HE2 GLN 36 2HE2 GLN 36 -18.476 8.431 -4.572 693 1HE2 GLN 36 1HE2 GLN 36 -18.369 9.190 -6.120 694 H SER 37 H SER 37 -21.348 3.273 -3.925 695 HA SER 37 HA SER 37 -23.863 3.355 -5.325 696 1HB SER 37 1HB SER 37 -23.429 0.980 -5.796 697 2HB SER 37 2HB SER 37 -22.007 1.961 -6.148 698 HG SER 37 HG SER 37 -22.286 -0.076 -4.401 699 H GLU 38 H GLU 38 -22.743 2.454 -2.171 700 HA GLU 38 HA GLU 38 -25.050 0.880 -1.492 701 1HB GLU 38 1HB GLU 38 -22.516 1.572 -0.272 702 2HB GLU 38 2HB GLU 38 -23.834 1.731 0.882 703 1HG GLU 38 1HG GLU 38 -24.417 -0.659 -0.269 704 2HG GLU 38 2HG GLU 38 -22.654 -0.663 -0.320 705 H ASP 39 H ASP 39 -24.180 4.228 -1.396 706 HA ASP 39 HA ASP 39 -26.130 5.021 0.541 707 1HB ASP 39 1HB ASP 39 -23.985 6.249 -0.846 708 2HB ASP 39 2HB ASP 39 -25.436 7.177 -1.216 709 H ASP 40 H ASP 40 -26.101 4.534 -2.903 710 HA ASP 40 HA ASP 40 -28.849 5.581 -3.068 711 1HB ASP 40 1HB ASP 40 -27.270 6.725 -4.558 712 2HB ASP 40 2HB ASP 40 -26.823 5.182 -5.281 713 H ASP 41 H ASP 41 -30.380 4.087 -3.114 714 HA ASP 41 HA ASP 41 -29.923 1.337 -3.317 715 1HB ASP 41 1HB ASP 41 -32.140 3.040 -2.846 716 2HB ASP 41 2HB ASP 41 -32.602 1.937 -4.138 No H/Q in entry = 716 Start of MODEL 21 1 H1 ALA 1 H1 ALA 1 -30.553 8.680 3.750 2 H2 ALA 1 H2 ALA 1 -30.017 9.744 2.514 3 H3 ALA 1 H3 ALA 1 -31.654 9.239 2.558 4 HA ALA 1 HA ALA 1 -31.248 7.281 1.668 5 1HB ALA 1 1HB ALA 1 -28.659 8.051 0.592 6 2HB ALA 1 2HB ALA 1 -29.856 9.341 0.488 7 3HB ALA 1 3HB ALA 1 -30.191 7.766 -0.234 8 H LEU 2 H LEU 2 -30.894 6.146 3.728 9 HA LEU 2 HA LEU 2 -28.123 5.477 4.341 10 1HB LEU 2 1HB LEU 2 -30.753 5.041 5.697 11 2HB LEU 2 2HB LEU 2 -29.393 4.017 6.116 12 HG LEU 2 HG LEU 2 -28.563 6.764 6.171 13 1HD1 LEU 2 1HD1 LEU 2 -31.200 6.154 7.375 14 2HD1 LEU 2 2HD1 LEU 2 -30.073 7.124 8.323 15 3HD1 LEU 2 3HD1 LEU 2 -30.572 7.667 6.721 16 1HD2 LEU 2 1HD2 LEU 2 -27.743 4.601 7.367 17 2HD2 LEU 2 2HD2 LEU 2 -27.632 6.157 8.190 18 3HD2 LEU 2 3HD2 LEU 2 -28.942 5.044 8.582 19 H LYS 3 H LYS 3 -27.152 3.700 3.608 20 HA LYS 3 HA LYS 3 -28.791 1.714 2.212 21 1HB LYS 3 1HB LYS 3 -25.873 2.435 2.053 22 2HB LYS 3 2HB LYS 3 -26.509 0.966 1.326 23 1HG LYS 3 1HG LYS 3 -26.302 2.831 -0.272 24 2HG LYS 3 2HG LYS 3 -27.957 2.240 -0.110 25 1HD LYS 3 1HD LYS 3 -28.552 4.097 1.284 26 2HD LYS 3 2HD LYS 3 -26.872 4.630 1.373 27 1HE LYS 3 1HE LYS 3 -27.837 4.372 -1.361 28 2HE LYS 3 2HE LYS 3 -28.774 5.525 -0.412 29 1HZ LYS 3 1HZ LYS 3 -26.045 5.931 0.103 30 2HZ LYS 3 2HZ LYS 3 -26.267 5.895 -1.574 31 3HZ LYS 3 3HZ LYS 3 -27.146 6.987 -0.628 32 H LYS 4 H LYS 4 -26.264 1.965 4.677 33 HA LYS 4 HA LYS 4 -25.741 0.613 6.432 34 1HB LYS 4 1HB LYS 4 -28.431 -0.199 5.759 35 2HB LYS 4 2HB LYS 4 -27.487 -1.578 6.304 36 1HG LYS 4 1HG LYS 4 -28.055 0.972 7.789 37 2HG LYS 4 2HG LYS 4 -28.546 -0.668 8.212 38 1HD LYS 4 1HD LYS 4 -25.840 -0.933 8.081 39 2HD LYS 4 2HD LYS 4 -26.001 0.722 8.674 40 1HE LYS 4 1HE LYS 4 -25.865 -0.824 10.536 41 2HE LYS 4 2HE LYS 4 -27.462 -0.081 10.477 42 1HZ LYS 4 1HZ LYS 4 -27.528 -2.430 8.956 43 2HZ LYS 4 2HZ LYS 4 -26.817 -2.802 10.446 44 3HZ LYS 4 3HZ LYS 4 -28.351 -2.091 10.396 45 H HIS 5 H HIS 5 -27.051 -1.964 4.368 46 HA HIS 5 HA HIS 5 -25.018 -3.756 4.630 47 1HB HIS 5 1HB HIS 5 -25.790 -4.823 2.629 48 2HB HIS 5 2HB HIS 5 -27.196 -4.112 3.414 49 HD1 HIS 5 HD1 HIS 5 -25.117 -3.907 0.340 50 HD2 HIS 5 HD2 HIS 5 -28.344 -1.919 2.043 51 HE1 HIS 5 HE1 HIS 5 -26.075 -2.480 -1.497 52 HE2 HIS 5 HE2 HIS 5 -28.026 -1.286 -0.444 53 H HIS 6 H HIS 6 -25.103 -0.918 2.600 54 HA HIS 6 HA HIS 6 -22.830 -1.523 1.019 55 1HB HIS 6 1HB HIS 6 -24.523 0.841 1.530 56 2HB HIS 6 2HB HIS 6 -22.861 1.209 1.078 57 HD1 HIS 6 HD1 HIS 6 -26.056 -0.132 -0.269 58 HD2 HIS 6 HD2 HIS 6 -22.149 0.463 -1.554 59 HE1 HIS 6 HE1 HIS 6 -26.120 -0.421 -2.766 60 HE2 HIS 6 HE2 HIS 6 -23.744 -0.054 -3.524 61 H GLU 7 H GLU 7 -23.232 0.468 3.945 62 HA GLU 7 HA GLU 7 -20.562 1.188 4.273 63 1HB GLU 7 1HB GLU 7 -22.957 1.480 5.719 64 2HB GLU 7 2HB GLU 7 -21.827 0.705 6.821 65 1HG GLU 7 1HG GLU 7 -20.200 2.502 6.354 66 2HG GLU 7 2HG GLU 7 -21.412 3.296 5.349 67 H ASN 8 H ASN 8 -22.159 -1.836 4.745 68 HA ASN 8 HA ASN 8 -20.326 -2.992 6.584 69 1HB ASN 8 1HB ASN 8 -22.762 -3.730 5.518 70 2HB ASN 8 2HB ASN 8 -21.648 -4.865 4.761 71 2HD2 ASN 8 2HD2 ASN 8 -23.648 -4.503 7.274 72 1HD2 ASN 8 1HD2 ASN 8 -22.898 -5.550 8.425 73 H GLU 9 H GLU 9 -20.804 -3.651 3.094 74 HA GLU 9 HA GLU 9 -18.307 -5.003 2.844 75 1HB GLU 9 1HB GLU 9 -20.217 -3.846 0.814 76 2HB GLU 9 2HB GLU 9 -18.740 -4.681 0.356 77 1HG GLU 9 1HG GLU 9 -20.679 -6.149 0.245 78 2HG GLU 9 2HG GLU 9 -19.514 -6.703 1.447 79 H ILE 10 H ILE 10 -19.093 -1.744 3.118 80 HA ILE 10 HA ILE 10 -16.905 -0.708 1.546 81 HB ILE 10 HB ILE 10 -19.051 0.537 3.257 82 1HG1 ILE 10 1HG1 ILE 10 -18.433 1.058 0.360 83 2HG1 ILE 10 2HG1 ILE 10 -19.427 -0.307 0.863 84 1HG2 ILE 10 1HG2 ILE 10 -16.492 1.691 2.676 85 2HG2 ILE 10 2HG2 ILE 10 -17.771 2.603 1.875 86 3HG2 ILE 10 3HG2 ILE 10 -17.833 2.344 3.617 87 1HD1 ILE 10 1HD1 ILE 10 -20.759 1.543 2.152 88 2HD1 ILE 10 2HD1 ILE 10 -20.011 2.604 0.957 89 3HD1 ILE 10 3HD1 ILE 10 -21.026 1.261 0.431 90 H SER 11 H SER 11 -17.670 -1.505 4.847 91 HA SER 11 HA SER 11 -15.409 -0.132 5.979 92 1HB SER 11 1HB SER 11 -17.317 -0.426 7.409 93 2HB SER 11 2HB SER 11 -17.350 -2.163 7.103 94 HG SER 11 HG SER 11 -15.754 -0.689 8.816 95 H HIS 12 H HIS 12 -16.155 -3.295 4.731 96 HA HIS 12 HA HIS 12 -13.833 -4.576 5.799 97 1HB HIS 12 1HB HIS 12 -15.192 -6.301 5.316 98 2HB HIS 12 2HB HIS 12 -16.176 -5.317 4.246 99 HD1 HIS 12 HD1 HIS 12 -13.081 -7.497 4.184 100 HD2 HIS 12 HD2 HIS 12 -15.873 -5.847 1.590 101 HE1 HIS 12 HE1 HIS 12 -12.618 -8.548 1.946 102 HE2 HIS 12 HE2 HIS 12 -14.323 -7.538 0.388 103 H HIS 13 H HIS 13 -14.711 -3.260 2.588 104 HA HIS 13 HA HIS 13 -12.218 -3.850 1.384 105 1HB HIS 13 1HB HIS 13 -14.137 -1.614 0.685 106 2HB HIS 13 2HB HIS 13 -12.847 -2.236 -0.338 107 HD1 HIS 13 HD1 HIS 13 -13.544 -5.300 0.282 108 HD2 HIS 13 HD2 HIS 13 -16.147 -2.353 -1.052 109 HE1 HIS 13 HE1 HIS 13 -15.411 -6.529 -0.873 110 HE2 HIS 13 HE2 HIS 13 -16.980 -4.725 -1.673 111 H ALA 14 H ALA 14 -13.371 -1.260 3.406 112 HA ALA 14 HA ALA 14 -11.303 0.602 2.918 113 1HB ALA 14 1HB ALA 14 -12.831 0.300 5.497 114 2HB ALA 14 2HB ALA 14 -12.083 1.758 4.844 115 3HB ALA 14 3HB ALA 14 -13.502 1.068 4.058 116 H LYS 15 H LYS 15 -11.675 -2.067 5.186 117 HA LYS 15 HA LYS 15 -9.256 -1.550 6.607 118 1HB LYS 15 1HB LYS 15 -11.198 -3.823 6.467 119 2HB LYS 15 2HB LYS 15 -9.632 -4.081 7.225 120 1HG LYS 15 1HG LYS 15 -10.063 -2.465 8.891 121 2HG LYS 15 2HG LYS 15 -11.474 -1.848 8.028 122 1HD LYS 15 1HD LYS 15 -12.723 -3.815 8.489 123 2HD LYS 15 2HD LYS 15 -11.291 -4.669 9.066 124 1HE LYS 15 1HE LYS 15 -11.210 -2.687 10.793 125 2HE LYS 15 2HE LYS 15 -12.927 -2.572 10.410 126 1HZ LYS 15 1HZ LYS 15 -11.569 -5.046 11.335 127 2HZ LYS 15 2HZ LYS 15 -12.464 -4.009 12.330 128 3HZ LYS 15 3HZ LYS 15 -13.228 -4.847 11.075 129 H GLU 16 H GLU 16 -10.055 -3.121 3.638 130 HA GLU 16 HA GLU 16 -7.709 -4.752 3.470 131 1HB GLU 16 1HB GLU 16 -10.057 -4.193 1.829 132 2HB GLU 16 2HB GLU 16 -8.592 -4.373 0.872 133 1HG GLU 16 1HG GLU 16 -8.826 -6.563 1.004 134 2HG GLU 16 2HG GLU 16 -8.555 -6.460 2.743 135 H ILE 17 H ILE 17 -8.643 -1.574 2.197 136 HA ILE 17 HA ILE 17 -6.203 -1.215 0.734 137 HB ILE 17 HB ILE 17 -8.154 -0.035 -0.022 138 1HG1 ILE 17 1HG1 ILE 17 -6.041 1.781 1.147 139 2HG1 ILE 17 2HG1 ILE 17 -6.138 1.154 -0.494 140 1HG2 ILE 17 1HG2 ILE 17 -8.227 1.139 2.745 141 2HG2 ILE 17 2HG2 ILE 17 -9.132 1.810 1.387 142 3HG2 ILE 17 3HG2 ILE 17 -9.458 0.168 1.936 143 1HD1 ILE 17 1HD1 ILE 17 -8.321 2.486 -0.654 144 2HD1 ILE 17 2HD1 ILE 17 -7.748 3.320 0.790 145 3HD1 ILE 17 3HD1 ILE 17 -6.794 3.366 -0.692 146 H GLU 18 H GLU 18 -7.356 -0.384 3.940 147 HA GLU 18 HA GLU 18 -5.135 1.318 4.567 148 1HB GLU 18 1HB GLU 18 -7.442 1.397 5.641 149 2HB GLU 18 2HB GLU 18 -6.972 -0.042 6.537 150 1HG GLU 18 1HG GLU 18 -5.363 2.488 6.608 151 2HG GLU 18 2HG GLU 18 -6.707 2.186 7.708 152 H ARG 19 H ARG 19 -5.867 -2.072 4.817 153 HA ARG 19 HA ARG 19 -3.774 -2.718 6.650 154 1HB ARG 19 1HB ARG 19 -5.670 -4.198 6.471 155 2HB ARG 19 2HB ARG 19 -5.392 -4.421 4.750 156 1HG ARG 19 1HG ARG 19 -3.598 -5.823 5.081 157 2HG ARG 19 2HG ARG 19 -3.262 -5.184 6.692 158 1HD ARG 19 1HD ARG 19 -4.207 -7.177 7.270 159 2HD ARG 19 2HD ARG 19 -5.660 -6.181 7.192 160 HE ARG 19 HE ARG 19 -6.358 -7.413 5.396 161 1HH1 ARG 19 1HH1 ARG 19 -2.956 -7.962 5.894 162 2HH1 ARG 19 2HH1 ARG 19 -2.856 -9.230 4.718 163 1HH2 ARG 19 1HH2 ARG 19 -6.238 -9.082 3.845 164 2HH2 ARG 19 2HH2 ARG 19 -4.722 -9.865 3.552 165 H LEU 20 H LEU 20 -4.135 -2.862 3.119 166 HA LEU 20 HA LEU 20 -1.588 -3.998 2.632 167 1HB LEU 20 1HB LEU 20 -3.263 -2.262 0.814 168 2HB LEU 20 2HB LEU 20 -1.930 -3.287 0.318 169 HG LEU 20 HG LEU 20 -4.285 -4.508 1.701 170 1HD1 LEU 20 1HD1 LEU 20 -4.167 -3.515 -1.121 171 2HD1 LEU 20 2HD1 LEU 20 -5.133 -4.926 -0.694 172 3HD1 LEU 20 3HD1 LEU 20 -5.469 -3.367 0.060 173 1HD2 LEU 20 1HD2 LEU 20 -1.929 -5.383 0.244 174 2HD2 LEU 20 2HD2 LEU 20 -2.979 -6.279 1.340 175 3HD2 LEU 20 3HD2 LEU 20 -3.413 -6.117 -0.362 176 H GLN 21 H GLN 21 -2.759 -0.722 3.030 177 HA GLN 21 HA GLN 21 -0.489 0.649 2.091 178 1HB GLN 21 1HB GLN 21 -2.720 1.679 2.541 179 2HB GLN 21 2HB GLN 21 -2.395 1.536 4.263 180 1HG GLN 21 1HG GLN 21 -1.332 3.469 4.240 181 2HG GLN 21 2HG GLN 21 -0.187 2.844 3.054 182 2HE2 GLN 21 2HE2 GLN 21 -3.650 3.555 2.841 183 1HE2 GLN 21 1HE2 GLN 21 -3.518 4.676 1.534 184 H LYS 22 H LYS 22 -1.375 -0.519 5.323 185 HA LYS 22 HA LYS 22 0.789 0.554 6.731 186 1HB LYS 22 1HB LYS 22 -1.217 -1.541 7.171 187 2HB LYS 22 2HB LYS 22 0.299 -1.828 8.014 188 1HG LYS 22 1HG LYS 22 0.042 -0.032 9.388 189 2HG LYS 22 2HG LYS 22 -0.902 0.877 8.207 190 1HD LYS 22 1HD LYS 22 -2.250 0.147 10.141 191 2HD LYS 22 2HD LYS 22 -2.833 -0.524 8.617 192 1HE LYS 22 1HE LYS 22 -2.887 -2.339 10.078 193 2HE LYS 22 2HE LYS 22 -1.381 -2.561 9.188 194 1HZ LYS 22 1HZ LYS 22 -0.489 -1.144 11.227 195 2HZ LYS 22 2HZ LYS 22 -1.801 -1.890 11.992 196 3HZ LYS 22 3HZ LYS 22 -0.594 -2.832 11.274 197 H GLU 23 H GLU 23 0.439 -2.581 5.103 198 HA GLU 23 HA GLU 23 2.919 -3.664 5.786 199 1HB GLU 23 1HB GLU 23 0.796 -4.568 4.396 200 2HB GLU 23 2HB GLU 23 1.895 -4.237 3.065 201 1HG GLU 23 1HG GLU 23 3.343 -5.885 3.661 202 2HG GLU 23 2HG GLU 23 2.947 -5.766 5.376 203 H ILE 24 H ILE 24 2.010 -1.614 3.036 204 HA ILE 24 HA ILE 24 4.524 -1.689 1.765 205 HB ILE 24 HB ILE 24 3.741 -0.153 0.263 206 1HG1 ILE 24 1HG1 ILE 24 1.698 1.421 1.201 207 2HG1 ILE 24 2HG1 ILE 24 2.737 1.298 2.616 208 1HG2 ILE 24 1HG2 ILE 24 1.903 -1.985 1.116 209 2HG2 ILE 24 2HG2 ILE 24 0.974 -0.487 1.095 210 3HG2 ILE 24 3HG2 ILE 24 1.801 -1.032 -0.362 211 1HD1 ILE 24 1HD1 ILE 24 4.309 1.809 0.275 212 2HD1 ILE 24 2HD1 ILE 24 3.024 3.008 0.434 213 3HD1 ILE 24 3HD1 ILE 24 4.162 2.754 1.758 214 H GLU 25 H GLU 25 3.262 0.186 4.409 215 HA GLU 25 HA GLU 25 5.175 2.240 4.481 216 1HB GLU 25 1HB GLU 25 3.010 2.099 5.800 217 2HB GLU 25 2HB GLU 25 3.845 1.003 6.892 218 1HG GLU 25 1HG GLU 25 5.278 2.665 7.664 219 2HG GLU 25 2HG GLU 25 4.952 3.715 6.285 220 H ARG 26 H ARG 26 5.086 -0.950 6.029 221 HA ARG 26 HA ARG 26 7.467 -0.759 7.475 222 1HB ARG 26 1HB ARG 26 5.704 -2.601 7.574 223 2HB ARG 26 2HB ARG 26 6.482 -3.287 6.154 224 1HG ARG 26 1HG ARG 26 8.632 -3.229 7.556 225 2HG ARG 26 2HG ARG 26 7.552 -3.013 8.935 226 1HD ARG 26 1HD ARG 26 6.626 -5.141 7.226 227 2HD ARG 26 2HD ARG 26 8.296 -5.417 7.720 228 HE ARG 26 HE ARG 26 5.952 -5.488 9.393 229 1HH1 ARG 26 1HH1 ARG 26 9.411 -5.098 9.296 230 2HH1 ARG 26 2HH1 ARG 26 9.642 -5.576 10.945 231 1HH2 ARG 26 1HH2 ARG 26 6.244 -6.119 11.565 232 2HH2 ARG 26 2HH2 ARG 26 7.840 -6.157 12.235 233 H HIS 27 H HIS 27 6.883 -1.974 4.183 234 HA HIS 27 HA HIS 27 9.583 -2.562 3.601 235 1HB HIS 27 1HB HIS 27 7.070 -2.632 2.228 236 2HB HIS 27 2HB HIS 27 8.257 -1.837 1.199 237 HD1 HIS 27 HD1 HIS 27 10.612 -3.301 1.000 238 HD2 HIS 27 HD2 HIS 27 7.131 -5.325 2.025 239 HE1 HIS 27 HE1 HIS 27 11.070 -5.722 0.500 240 HE2 HIS 27 HE2 HIS 27 8.951 -6.930 1.128 241 H LYS 28 H LYS 28 7.812 0.393 3.717 242 HA LYS 28 HA LYS 28 9.570 1.890 2.013 243 1HB LYS 28 1HB LYS 28 7.138 2.440 2.480 244 2HB LYS 28 2HB LYS 28 7.651 2.982 4.071 245 1HG LYS 28 1HG LYS 28 9.047 4.118 1.716 246 2HG LYS 28 2HG LYS 28 7.392 4.644 2.032 247 1HD LYS 28 1HD LYS 28 9.676 4.747 4.002 248 2HD LYS 28 2HD LYS 28 9.040 6.121 3.096 249 1HE LYS 28 1HE LYS 28 6.886 4.783 4.415 250 2HE LYS 28 2HE LYS 28 8.164 5.111 5.584 251 1HZ LYS 28 1HZ LYS 28 7.411 7.269 3.762 252 2HZ LYS 28 2HZ LYS 28 6.325 6.883 5.000 253 3HZ LYS 28 3HZ LYS 28 7.907 7.342 5.378 254 H GLN 29 H GLN 29 9.377 1.134 5.410 255 HA GLN 29 HA GLN 29 11.212 3.155 6.264 256 1HB GLN 29 1HB GLN 29 9.624 2.256 7.849 257 2HB GLN 29 2HB GLN 29 10.237 0.627 7.602 258 1HG GLN 29 1HG GLN 29 12.387 2.334 8.386 259 2HG GLN 29 2HG GLN 29 11.045 2.519 9.515 260 2HE2 GLN 29 2HE2 GLN 29 10.959 1.125 11.119 261 1HE2 GLN 29 1HE2 GLN 29 11.711 -0.430 11.160 262 H SER 30 H SER 30 11.446 -0.217 5.302 263 HA SER 30 HA SER 30 14.192 -0.504 6.042 264 1HB SER 30 1HB SER 30 12.222 -2.142 4.492 265 2HB SER 30 2HB SER 30 13.938 -2.531 4.378 266 HG SER 30 HG SER 30 12.271 -3.228 6.280 267 H ILE 31 H ILE 31 12.479 0.171 3.011 268 HA ILE 31 HA ILE 31 14.892 0.253 1.462 269 HB ILE 31 HB ILE 31 12.651 -0.336 0.544 270 1HG1 ILE 31 1HG1 ILE 31 14.794 0.895 -0.647 271 2HG1 ILE 31 2HG1 ILE 31 13.455 0.148 -1.499 272 1HG2 ILE 31 1HG2 ILE 31 11.467 1.518 1.765 273 2HG2 ILE 31 2HG2 ILE 31 12.085 2.615 0.529 274 3HG2 ILE 31 3HG2 ILE 31 11.007 1.294 0.077 275 1HD1 ILE 31 1HD1 ILE 31 13.500 3.057 -0.753 276 2HD1 ILE 31 2HD1 ILE 31 14.122 2.432 -2.281 277 3HD1 ILE 31 3HD1 ILE 31 12.416 2.238 -1.878 278 H LYS 32 H LYS 32 13.157 2.490 3.419 279 HA LYS 32 HA LYS 32 14.287 4.842 2.168 280 1HB LYS 32 1HB LYS 32 12.065 4.999 3.148 281 2HB LYS 32 2HB LYS 32 12.690 4.494 4.713 282 1HG LYS 32 1HG LYS 32 14.242 6.627 4.316 283 2HG LYS 32 2HG LYS 32 12.838 7.117 3.365 284 1HD LYS 32 1HD LYS 32 12.787 6.238 6.252 285 2HD LYS 32 2HD LYS 32 12.689 7.906 5.684 286 1HE LYS 32 1HE LYS 32 10.716 6.588 4.255 287 2HE LYS 32 2HE LYS 32 10.621 5.878 5.865 288 1HZ LYS 32 1HZ LYS 32 10.904 8.696 6.024 289 2HZ LYS 32 2HZ LYS 32 9.579 8.297 5.051 290 3HZ LYS 32 3HZ LYS 32 9.672 7.711 6.636 291 H LYS 33 H LYS 33 14.984 2.696 4.810 292 HA LYS 33 HA LYS 33 16.866 4.433 6.105 293 1HB LYS 33 1HB LYS 33 16.018 1.584 6.415 294 2HB LYS 33 2HB LYS 33 17.543 2.089 7.130 295 1HG LYS 33 1HG LYS 33 15.253 3.844 7.692 296 2HG LYS 33 2HG LYS 33 15.158 2.222 8.380 297 1HD LYS 33 1HD LYS 33 17.420 4.187 8.742 298 2HD LYS 33 2HD LYS 33 16.206 3.757 9.950 299 1HE LYS 33 1HE LYS 33 17.147 1.309 9.310 300 2HE LYS 33 2HE LYS 33 18.593 2.282 9.044 301 1HZ LYS 33 1HZ LYS 33 17.680 3.209 11.408 302 2HZ LYS 33 2HZ LYS 33 17.292 1.566 11.509 303 3HZ LYS 33 3HZ LYS 33 18.891 2.041 11.228 304 H LEU 34 H LEU 34 17.026 1.770 3.796 305 HA LEU 34 HA LEU 34 19.889 1.680 3.750 306 1HB LEU 34 1HB LEU 34 17.669 0.374 2.285 307 2HB LEU 34 2HB LEU 34 19.206 0.470 1.447 308 HG LEU 34 HG LEU 34 19.105 -0.618 4.233 309 1HD1 LEU 34 1HD1 LEU 34 18.436 -2.124 1.710 310 2HD1 LEU 34 2HD1 LEU 34 18.824 -2.876 3.257 311 3HD1 LEU 34 3HD1 LEU 34 17.388 -1.865 3.105 312 1HD2 LEU 34 1HD2 LEU 34 20.876 -1.040 1.833 313 2HD2 LEU 34 2HD2 LEU 34 21.286 -0.217 3.338 314 3HD2 LEU 34 3HD2 LEU 34 21.005 -1.958 3.333 315 H LYS 35 H LYS 35 17.380 3.236 1.839 316 HA LYS 35 HA LYS 35 19.195 4.213 -0.160 317 1HB LYS 35 1HB LYS 35 16.802 3.785 -0.630 318 2HB LYS 35 2HB LYS 35 16.368 5.087 0.469 319 1HG LYS 35 1HG LYS 35 18.047 6.401 -1.169 320 2HG LYS 35 2HG LYS 35 17.404 5.195 -2.283 321 1HD LYS 35 1HD LYS 35 15.796 6.775 -2.554 322 2HD LYS 35 2HD LYS 35 15.117 5.966 -1.140 323 1HE LYS 35 1HE LYS 35 16.315 7.627 0.290 324 2HE LYS 35 2HE LYS 35 16.779 8.480 -1.182 325 1HZ LYS 35 1HZ LYS 35 14.188 8.348 -1.579 326 2HZ LYS 35 2HZ LYS 35 14.168 8.289 0.111 327 3HZ LYS 35 3HZ LYS 35 14.889 9.598 -0.680 328 H GLN 36 H GLN 36 18.034 5.297 2.916 329 HA GLN 36 HA GLN 36 18.762 8.055 2.529 330 1HB GLN 36 1HB GLN 36 16.962 7.520 4.060 331 2HB GLN 36 2HB GLN 36 18.028 6.496 5.012 332 1HG GLN 36 1HG GLN 36 18.537 8.228 6.280 333 2HG GLN 36 2HG GLN 36 19.235 9.039 4.878 334 2HE2 GLN 36 2HE2 GLN 36 18.592 11.081 5.290 335 1HE2 GLN 36 1HE2 GLN 36 16.941 11.585 5.364 336 H SER 37 H SER 37 20.260 5.169 3.798 337 HA SER 37 HA SER 37 22.427 6.504 5.099 338 1HB SER 37 1HB SER 37 21.821 3.658 4.370 339 2HB SER 37 2HB SER 37 23.447 4.098 4.894 340 HG SER 37 HG SER 37 21.251 4.948 6.415 341 H GLU 38 H GLU 38 21.763 5.466 1.865 342 HA GLU 38 HA GLU 38 24.471 5.424 0.956 343 1HB GLU 38 1HB GLU 38 22.465 4.263 -0.115 344 2HB GLU 38 2HB GLU 38 22.033 5.837 -0.767 345 1HG GLU 38 1HG GLU 38 24.753 4.681 -1.222 346 2HG GLU 38 2HG GLU 38 23.384 4.213 -2.228 347 H ASP 39 H ASP 39 22.074 7.876 1.413 348 HA ASP 39 HA ASP 39 23.889 9.844 0.179 349 1HB ASP 39 1HB ASP 39 21.570 9.393 -0.922 350 2HB ASP 39 2HB ASP 39 20.937 10.328 0.431 351 H ASP 40 H ASP 40 23.701 8.824 2.962 352 HA ASP 40 HA ASP 40 22.557 10.940 4.530 353 1HB ASP 40 1HB ASP 40 23.175 8.350 5.068 354 2HB ASP 40 2HB ASP 40 24.555 9.169 5.795 355 H ASP 41 H ASP 41 23.945 12.054 6.217 356 HA ASP 41 HA ASP 41 26.375 13.069 4.904 357 1HB ASP 41 1HB ASP 41 24.219 14.504 5.689 358 2HB ASP 41 2HB ASP 41 25.199 14.596 7.150 359 H1 ALA 1 H1 ALA 1 30.711 8.692 -3.589 360 H2 ALA 1 H2 ALA 1 30.171 9.729 -2.334 361 H3 ALA 1 H3 ALA 1 31.768 9.109 -2.304 362 HA ALA 1 HA ALA 1 31.166 7.130 -1.568 363 1HB ALA 1 1HB ALA 1 29.786 9.260 -0.390 364 2HB ALA 1 2HB ALA 1 28.617 7.944 -0.515 365 3HB ALA 1 3HB ALA 1 30.146 7.688 0.325 366 H LEU 2 H LEU 2 30.824 5.865 -3.426 367 HA LEU 2 HA LEU 2 28.038 5.583 -4.308 368 1HB LEU 2 1HB LEU 2 30.681 5.103 -5.576 369 2HB LEU 2 2HB LEU 2 29.359 4.056 -6.055 370 HG LEU 2 HG LEU 2 28.507 6.808 -6.111 371 1HD1 LEU 2 1HD1 LEU 2 31.153 6.178 -7.292 372 2HD1 LEU 2 2HD1 LEU 2 30.041 7.158 -8.246 373 3HD1 LEU 2 3HD1 LEU 2 30.532 7.695 -6.640 374 1HD2 LEU 2 1HD2 LEU 2 27.700 4.635 -7.310 375 2HD2 LEU 2 2HD2 LEU 2 27.588 6.192 -8.130 376 3HD2 LEU 2 3HD2 LEU 2 28.907 5.086 -8.516 377 H LYS 3 H LYS 3 26.893 3.983 -3.480 378 HA LYS 3 HA LYS 3 28.293 1.548 -2.583 379 1HB LYS 3 1HB LYS 3 25.717 2.763 -1.566 380 2HB LYS 3 2HB LYS 3 26.362 1.213 -1.049 381 1HG LYS 3 1HG LYS 3 26.881 2.894 0.586 382 2HG LYS 3 2HG LYS 3 28.367 2.356 -0.198 383 1HD LYS 3 1HD LYS 3 28.681 4.350 -1.275 384 2HD LYS 3 2HD LYS 3 26.954 4.711 -1.337 385 1HE LYS 3 1HE LYS 3 27.978 4.585 1.381 386 2HE LYS 3 2HE LYS 3 28.795 5.807 0.407 387 1HZ LYS 3 1HZ LYS 3 26.042 5.967 -0.089 388 2HZ LYS 3 2HZ LYS 3 26.267 5.948 1.588 389 3HZ LYS 3 3HZ LYS 3 27.044 7.116 0.643 390 H LYS 4 H LYS 4 28.090 0.939 -4.883 391 HA LYS 4 HA LYS 4 25.842 0.613 -6.368 392 1HB LYS 4 1HB LYS 4 28.436 -0.733 -6.200 393 2HB LYS 4 2HB LYS 4 27.169 -1.736 -6.892 394 1HG LYS 4 1HG LYS 4 27.858 1.031 -7.853 395 2HG LYS 4 2HG LYS 4 28.475 -0.462 -8.563 396 1HD LYS 4 1HD LYS 4 25.669 -0.728 -8.360 397 2HD LYS 4 2HD LYS 4 25.995 0.865 -9.049 398 1HE LYS 4 1HE LYS 4 25.764 -0.900 -10.763 399 2HE LYS 4 2HE LYS 4 27.341 -0.112 -10.791 400 1HZ LYS 4 1HZ LYS 4 27.445 -2.333 -9.067 401 2HZ LYS 4 2HZ LYS 4 26.796 -2.830 -10.548 402 3HZ LYS 4 3HZ LYS 4 28.305 -2.067 -10.500 403 H HIS 5 H HIS 5 27.112 -1.984 -4.263 404 HA HIS 5 HA HIS 5 25.061 -3.778 -4.549 405 1HB HIS 5 1HB HIS 5 25.780 -4.802 -2.516 406 2HB HIS 5 2HB HIS 5 27.210 -4.130 -3.290 407 HD1 HIS 5 HD1 HIS 5 25.108 -3.866 -0.247 408 HD2 HIS 5 HD2 HIS 5 28.339 -1.892 -1.959 409 HE1 HIS 5 HE1 HIS 5 26.057 -2.420 1.578 410 HE2 HIS 5 HE2 HIS 5 28.012 -1.234 0.520 411 H HIS 6 H HIS 6 25.141 -0.913 -2.516 412 HA HIS 6 HA HIS 6 22.823 -1.499 -1.010 413 1HB HIS 6 1HB HIS 6 24.505 0.877 -1.488 414 2HB HIS 6 2HB HIS 6 22.835 1.225 -1.062 415 HD1 HIS 6 HD1 HIS 6 26.016 -0.113 0.328 416 HD2 HIS 6 HD2 HIS 6 22.096 0.495 1.561 417 HE1 HIS 6 HE1 HIS 6 26.046 -0.401 2.824 418 HE2 HIS 6 HE2 HIS 6 23.663 -0.027 3.551 419 H GLU 7 H GLU 7 23.256 0.459 -3.959 420 HA GLU 7 HA GLU 7 20.585 1.184 -4.291 421 1HB GLU 7 1HB GLU 7 22.982 1.471 -5.736 422 2HB GLU 7 2HB GLU 7 21.850 0.699 -6.838 423 1HG GLU 7 1HG GLU 7 20.224 2.498 -6.368 424 2HG GLU 7 2HG GLU 7 21.438 3.290 -5.364 425 H ASN 8 H ASN 8 22.172 -1.844 -4.745 426 HA ASN 8 HA ASN 8 20.335 -2.996 -6.585 427 1HB ASN 8 1HB ASN 8 22.769 -3.743 -5.512 428 2HB ASN 8 2HB ASN 8 21.646 -4.878 -4.768 429 2HD2 ASN 8 2HD2 ASN 8 23.646 -4.479 -7.290 430 1HD2 ASN 8 1HD2 ASN 8 22.902 -5.529 -8.442 431 H GLU 9 H GLU 9 20.813 -3.646 -3.093 432 HA GLU 9 HA GLU 9 18.313 -4.991 -2.841 433 1HB GLU 9 1HB GLU 9 20.219 -3.831 -0.811 434 2HB GLU 9 2HB GLU 9 18.742 -4.668 -0.355 435 1HG GLU 9 1HG GLU 9 20.691 -6.128 -0.241 436 2HG GLU 9 2HG GLU 9 19.519 -6.690 -1.433 437 H ILE 10 H ILE 10 19.106 -1.734 -3.120 438 HA ILE 10 HA ILE 10 16.918 -0.694 -1.552 439 HB ILE 10 HB ILE 10 19.072 0.543 -3.258 440 1HG1 ILE 10 1HG1 ILE 10 18.425 1.075 -0.369 441 2HG1 ILE 10 2HG1 ILE 10 19.433 -0.282 -0.861 442 1HG2 ILE 10 1HG2 ILE 10 16.510 1.708 -2.697 443 2HG2 ILE 10 2HG2 ILE 10 17.794 2.626 -1.909 444 3HG2 ILE 10 3HG2 ILE 10 17.852 2.344 -3.649 445 1HD1 ILE 10 1HD1 ILE 10 20.776 1.558 -2.132 446 2HD1 ILE 10 2HD1 ILE 10 19.992 2.636 -0.977 447 3HD1 ILE 10 3HD1 ILE 10 21.005 1.313 -0.400 448 H SER 11 H SER 11 17.682 -1.481 -4.860 449 HA SER 11 HA SER 11 15.417 -0.109 -5.985 450 1HB SER 11 1HB SER 11 17.320 -0.406 -7.420 451 2HB SER 11 2HB SER 11 17.351 -2.143 -7.115 452 HG SER 11 HG SER 11 15.740 -0.663 -8.814 453 H HIS 12 H HIS 12 16.160 -3.279 -4.746 454 HA HIS 12 HA HIS 12 13.835 -4.552 -5.812 455 1HB HIS 12 1HB HIS 12 15.190 -6.280 -5.331 456 2HB HIS 12 2HB HIS 12 16.176 -5.300 -4.261 457 HD1 HIS 12 HD1 HIS 12 13.078 -7.475 -4.199 458 HD2 HIS 12 HD2 HIS 12 15.872 -5.830 -1.605 459 HE1 HIS 12 HE1 HIS 12 12.615 -8.528 -1.962 460 HE2 HIS 12 HE2 HIS 12 14.321 -7.521 -0.405 461 H HIS 13 H HIS 13 14.713 -3.242 -2.595 462 HA HIS 13 HA HIS 13 12.219 -3.837 -1.396 463 1HB HIS 13 1HB HIS 13 14.131 -1.598 -0.690 464 2HB HIS 13 2HB HIS 13 12.842 -2.223 0.330 465 HD1 HIS 13 HD1 HIS 13 13.545 -5.285 -0.296 466 HD2 HIS 13 HD2 HIS 13 16.141 -2.337 1.046 467 HE1 HIS 13 HE1 HIS 13 15.415 -6.513 0.856 468 HE2 HIS 13 HE2 HIS 13 16.979 -4.708 1.660 469 H ALA 14 H ALA 14 13.367 -1.237 -3.409 470 HA ALA 14 HA ALA 14 11.292 0.618 -2.919 471 1HB ALA 14 1HB ALA 14 13.493 1.085 -4.062 472 2HB ALA 14 2HB ALA 14 12.814 0.327 -5.502 473 3HB ALA 14 3HB ALA 14 12.070 1.781 -4.838 474 H LYS 15 H LYS 15 11.669 -2.044 -5.198 475 HA LYS 15 HA LYS 15 9.247 -1.529 -6.615 476 1HB LYS 15 1HB LYS 15 11.192 -3.801 -6.478 477 2HB LYS 15 2HB LYS 15 9.625 -4.060 -7.232 478 1HG LYS 15 1HG LYS 15 10.051 -2.442 -8.899 479 2HG LYS 15 2HG LYS 15 11.463 -1.825 -8.038 480 1HD LYS 15 1HD LYS 15 12.713 -3.791 -8.502 481 2HD LYS 15 2HD LYS 15 11.279 -4.644 -9.079 482 1HE LYS 15 1HE LYS 15 11.197 -2.660 -10.803 483 2HE LYS 15 2HE LYS 15 12.914 -2.544 -10.420 484 1HZ LYS 15 1HZ LYS 15 11.557 -5.016 -11.350 485 2HZ LYS 15 2HZ LYS 15 12.451 -3.977 -12.343 486 3HZ LYS 15 3HZ LYS 15 13.215 -4.817 -11.089 487 H GLU 16 H GLU 16 10.049 -3.108 -3.648 488 HA GLU 16 HA GLU 16 7.705 -4.738 -3.482 489 1HB GLU 16 1HB GLU 16 10.051 -4.181 -1.840 490 2HB GLU 16 2HB GLU 16 8.586 -4.362 -0.884 491 1HG GLU 16 1HG GLU 16 8.820 -6.552 -1.016 492 2HG GLU 16 2HG GLU 16 8.549 -6.447 -2.756 493 H ILE 17 H ILE 17 8.635 -1.564 -2.199 494 HA ILE 17 HA ILE 17 6.192 -1.211 -0.738 495 HB ILE 17 HB ILE 17 8.141 -0.030 0.021 496 1HG1 ILE 17 1HG1 ILE 17 6.026 1.786 -1.144 497 2HG1 ILE 17 2HG1 ILE 17 6.124 1.155 0.496 498 1HG2 ILE 17 1HG2 ILE 17 8.213 1.150 -2.742 499 2HG2 ILE 17 2HG2 ILE 17 9.115 1.820 -1.384 500 3HG2 ILE 17 3HG2 ILE 17 9.446 0.180 -1.935 501 1HD1 ILE 17 1HD1 ILE 17 8.306 2.490 0.660 502 2HD1 ILE 17 2HD1 ILE 17 7.731 3.326 -0.782 503 3HD1 ILE 17 3HD1 ILE 17 6.777 3.368 0.700 504 H GLU 18 H GLU 18 7.344 -0.371 -3.943 505 HA GLU 18 HA GLU 18 5.121 1.330 -4.565 506 1HB GLU 18 1HB GLU 18 7.427 1.411 -5.640 507 2HB GLU 18 2HB GLU 18 6.958 -0.026 -6.538 508 1HG GLU 18 1HG GLU 18 5.348 2.504 -6.603 509 2HG GLU 18 2HG GLU 18 6.690 2.206 -7.704 510 H ARG 19 H ARG 19 5.855 -2.060 -4.821 511 HA ARG 19 HA ARG 19 3.761 -2.703 -6.654 512 1HB ARG 19 1HB ARG 19 5.658 -4.182 -6.478 513 2HB ARG 19 2HB ARG 19 5.380 -4.410 -4.756 514 1HG ARG 19 1HG ARG 19 3.586 -5.812 -5.092 515 2HG ARG 19 2HG ARG 19 3.250 -5.169 -6.701 516 1HD ARG 19 1HD ARG 19 4.196 -7.159 -7.285 517 2HD ARG 19 2HD ARG 19 5.648 -6.164 -7.204 518 HE ARG 19 HE ARG 19 6.347 -7.399 -5.412 519 1HH1 ARG 19 1HH1 ARG 19 2.946 -7.949 -5.910 520 2HH1 ARG 19 2HH1 ARG 19 2.846 -9.220 -4.738 521 1HH2 ARG 19 1HH2 ARG 19 6.229 -9.071 -3.865 522 2HH2 ARG 19 2HH2 ARG 19 4.713 -9.858 -3.574 523 H LEU 20 H LEU 20 4.123 -2.856 -3.123 524 HA LEU 20 HA LEU 20 1.577 -3.993 -2.638 525 1HB LEU 20 1HB LEU 20 3.249 -2.259 -0.818 526 2HB LEU 20 2HB LEU 20 1.918 -3.286 -0.323 527 HG LEU 20 HG LEU 20 4.273 -4.503 -1.709 528 1HD1 LEU 20 1HD1 LEU 20 4.156 -3.512 1.114 529 2HD1 LEU 20 2HD1 LEU 20 5.121 -4.924 0.686 530 3HD1 LEU 20 3HD1 LEU 20 5.458 -3.366 -0.067 531 1HD2 LEU 20 1HD2 LEU 20 1.918 -5.382 -0.251 532 2HD2 LEU 20 2HD2 LEU 20 2.969 -6.275 -1.349 533 3HD2 LEU 20 3HD2 LEU 20 3.404 -6.116 0.353 534 H GLN 21 H GLN 21 2.746 -0.715 -3.029 535 HA GLN 21 HA GLN 21 0.474 0.652 -2.089 536 1HB GLN 21 1HB GLN 21 2.705 1.685 -2.537 537 2HB GLN 21 2HB GLN 21 2.381 1.545 -4.259 538 1HG GLN 21 1HG GLN 21 1.316 3.476 -4.233 539 2HG GLN 21 2HG GLN 21 0.171 2.849 -3.049 540 2HE2 GLN 21 2HE2 GLN 21 3.634 3.563 -2.833 541 1HE2 GLN 21 1HE2 GLN 21 3.499 4.680 -1.522 542 H LYS 22 H LYS 22 1.361 -0.508 -5.323 543 HA LYS 22 HA LYS 22 -0.805 0.566 -6.729 544 1HB LYS 22 1HB LYS 22 1.203 -1.526 -7.174 545 2HB LYS 22 2HB LYS 22 -0.314 -1.814 -8.017 546 1HG LYS 22 1HG LYS 22 -0.057 -0.014 -9.388 547 2HG LYS 22 2HG LYS 22 0.886 0.893 -8.204 548 1HD LYS 22 1HD LYS 22 2.233 0.168 -10.141 549 2HD LYS 22 2HD LYS 22 2.816 -0.506 -8.617 550 1HE LYS 22 1HE LYS 22 2.872 -2.318 -10.083 551 2HE LYS 22 2HE LYS 22 1.367 -2.542 -9.194 552 1HZ LYS 22 1HZ LYS 22 0.473 -1.122 -11.229 553 2HZ LYS 22 2HZ LYS 22 1.786 -1.865 -11.996 554 3HZ LYS 22 3HZ LYS 22 0.579 -2.809 -11.279 555 H GLU 23 H GLU 23 -0.453 -2.573 -5.109 556 HA GLU 23 HA GLU 23 -2.931 -3.654 -5.792 557 1HB GLU 23 1HB GLU 23 -0.809 -4.560 -4.403 558 2HB GLU 23 2HB GLU 23 -1.909 -4.232 -3.072 559 1HG GLU 23 1HG GLU 23 -3.356 -5.881 -3.673 560 2HG GLU 23 2HG GLU 23 -2.960 -5.758 -5.386 561 H ILE 24 H ILE 24 -2.024 -1.611 -3.039 562 HA ILE 24 HA ILE 24 -4.538 -1.689 -1.767 563 HB ILE 24 HB ILE 24 -3.755 -0.154 -0.263 564 1HG1 ILE 24 1HG1 ILE 24 -1.712 1.422 -1.200 565 2HG1 ILE 24 2HG1 ILE 24 -2.753 1.301 -2.614 566 1HG2 ILE 24 1HG2 ILE 24 -1.916 -1.984 -1.119 567 2HG2 ILE 24 2HG2 ILE 24 -0.988 -0.485 -1.096 568 3HG2 ILE 24 3HG2 ILE 24 -1.815 -1.034 0.360 569 1HD1 ILE 24 1HD1 ILE 24 -4.324 1.807 -0.271 570 2HD1 ILE 24 2HD1 ILE 24 -3.039 3.007 -0.427 571 3HD1 ILE 24 3HD1 ILE 24 -4.176 2.757 -1.753 572 H GLU 25 H GLU 25 -3.278 0.191 -4.408 573 HA GLU 25 HA GLU 25 -5.193 2.244 -4.476 574 1HB GLU 25 1HB GLU 25 -3.028 2.106 -5.796 575 2HB GLU 25 2HB GLU 25 -3.863 1.013 -6.890 576 1HG GLU 25 1HG GLU 25 -5.296 2.677 -7.658 577 2HG GLU 25 2HG GLU 25 -4.972 3.723 -6.277 578 H ARG 26 H ARG 26 -5.101 -0.943 -6.031 579 HA ARG 26 HA ARG 26 -7.484 -0.752 -7.476 580 1HB ARG 26 1HB ARG 26 -5.718 -2.591 -7.578 581 2HB ARG 26 2HB ARG 26 -6.496 -3.281 -6.160 582 1HG ARG 26 1HG ARG 26 -8.647 -3.222 -7.562 583 2HG ARG 26 2HG ARG 26 -7.567 -3.001 -8.940 584 1HD ARG 26 1HD ARG 26 -6.639 -5.133 -7.236 585 2HD ARG 26 2HD ARG 26 -8.309 -5.410 -7.730 586 HE ARG 26 HE ARG 26 -5.965 -5.474 -9.404 587 1HH1 ARG 26 1HH1 ARG 26 -9.424 -5.086 -9.305 588 2HH1 ARG 26 2HH1 ARG 26 -9.655 -5.562 -10.956 589 1HH2 ARG 26 1HH2 ARG 26 -6.256 -6.101 -11.577 590 2HH2 ARG 26 2HH2 ARG 26 -7.853 -6.139 -12.247 591 H HIS 27 H HIS 27 -6.897 -1.971 -4.186 592 HA HIS 27 HA HIS 27 -9.597 -2.562 -3.606 593 1HB HIS 27 1HB HIS 27 -7.084 -2.635 -2.233 594 2HB HIS 27 2HB HIS 27 -8.271 -1.842 -1.202 595 HD1 HIS 27 HD1 HIS 27 -10.625 -3.306 -1.006 596 HD2 HIS 27 HD2 HIS 27 -7.143 -5.327 -2.034 597 HE1 HIS 27 HE1 HIS 27 -11.083 -5.730 -0.511 598 HE2 HIS 27 HE2 HIS 27 -8.962 -6.936 -1.141 599 H LYS 28 H LYS 28 -7.828 0.394 -3.715 600 HA LYS 28 HA LYS 28 -9.585 1.887 -2.007 601 1HB LYS 28 1HB LYS 28 -7.156 2.439 -2.475 602 2HB LYS 28 2HB LYS 28 -7.668 2.984 -4.065 603 1HG LYS 28 1HG LYS 28 -9.065 4.116 -1.707 604 2HG LYS 28 2HG LYS 28 -7.411 4.642 -2.023 605 1HD LYS 28 1HD LYS 28 -9.695 4.746 -3.993 606 2HD LYS 28 2HD LYS 28 -9.060 6.119 -3.083 607 1HE LYS 28 1HE LYS 28 -6.906 4.785 -4.406 608 2HE LYS 28 2HE LYS 28 -8.184 5.117 -5.574 609 1HZ LYS 28 1HZ LYS 28 -7.431 7.270 -3.747 610 2HZ LYS 28 2HZ LYS 28 -6.343 6.887 -4.984 611 3HZ LYS 28 3HZ LYS 28 -7.927 7.347 -5.363 612 H GLN 29 H GLN 29 -9.394 1.137 -5.406 613 HA GLN 29 HA GLN 29 -11.230 3.159 -6.256 614 1HB GLN 29 1HB GLN 29 -9.642 2.262 -7.844 615 2HB GLN 29 2HB GLN 29 -10.255 0.632 -7.599 616 1HG GLN 29 1HG GLN 29 -12.405 2.340 -8.379 617 2HG GLN 29 2HG GLN 29 -11.065 2.529 -9.508 618 2HE2 GLN 29 2HE2 GLN 29 -10.977 1.139 -11.115 619 1HE2 GLN 29 1HE2 GLN 29 -11.727 -0.416 -11.161 620 H SER 30 H SER 30 -11.461 -0.216 -5.302 621 HA SER 30 HA SER 30 -14.208 -0.503 -6.041 622 1HB SER 30 1HB SER 30 -12.237 -2.144 -4.495 623 2HB SER 30 2HB SER 30 -13.953 -2.534 -4.382 624 HG SER 30 HG SER 30 -12.286 -3.226 -6.285 625 H ILE 31 H ILE 31 -12.494 0.167 -3.009 626 HA ILE 31 HA ILE 31 -14.905 0.244 -1.458 627 HB ILE 31 HB ILE 31 -12.662 -0.346 -0.542 628 1HG1 ILE 31 1HG1 ILE 31 -14.807 0.882 0.652 629 2HG1 ILE 31 2HG1 ILE 31 -13.466 0.135 1.502 630 1HG2 ILE 31 1HG2 ILE 31 -11.482 1.513 -1.761 631 2HG2 ILE 31 2HG2 ILE 31 -12.099 2.606 -0.523 632 3HG2 ILE 31 3HG2 ILE 31 -11.020 1.285 -0.075 633 1HD1 ILE 31 1HD1 ILE 31 -13.513 3.044 0.761 634 2HD1 ILE 31 2HD1 ILE 31 -14.136 2.417 2.287 635 3HD1 ILE 31 3HD1 ILE 31 -12.430 2.224 1.885 636 H LYS 32 H LYS 32 -13.174 2.487 -3.413 637 HA LYS 32 HA LYS 32 -14.304 4.834 -2.156 638 1HB LYS 32 1HB LYS 32 -12.084 4.996 -3.136 639 2HB LYS 32 2HB LYS 32 -12.707 4.492 -4.701 640 1HG LYS 32 1HG LYS 32 -14.262 6.624 -4.302 641 2HG LYS 32 2HG LYS 32 -12.860 7.114 -3.350 642 1HD LYS 32 1HD LYS 32 -12.807 6.241 -6.238 643 2HD LYS 32 2HD LYS 32 -12.711 7.907 -5.667 644 1HE LYS 32 1HE LYS 32 -10.736 6.588 -4.239 645 2HE LYS 32 2HE LYS 32 -10.641 5.882 -5.852 646 1HZ LYS 32 1HZ LYS 32 -10.927 8.699 -6.004 647 2HZ LYS 32 2HZ LYS 32 -9.602 8.300 -5.032 648 3HZ LYS 32 3HZ LYS 32 -9.693 7.717 -6.617 649 H LYS 33 H LYS 33 -15.003 2.693 -4.800 650 HA LYS 33 HA LYS 33 -16.887 4.431 -6.090 651 1HB LYS 33 1HB LYS 33 -16.038 1.584 -6.408 652 2HB LYS 33 2HB LYS 33 -17.563 2.091 -7.122 653 1HG LYS 33 1HG LYS 33 -15.273 3.847 -7.679 654 2HG LYS 33 2HG LYS 33 -15.178 2.226 -8.371 655 1HD LYS 33 1HD LYS 33 -17.440 4.190 -8.730 656 2HD LYS 33 2HD LYS 33 -16.226 3.764 -9.938 657 1HE LYS 33 1HE LYS 33 -17.164 1.315 -9.305 658 2HE LYS 33 2HE LYS 33 -18.611 2.286 -9.036 659 1HZ LYS 33 1HZ LYS 33 -17.699 3.220 -11.398 660 2HZ LYS 33 2HZ LYS 33 -17.310 1.577 -11.504 661 3HZ LYS 33 3HZ LYS 33 -18.909 2.049 -11.222 662 H LEU 34 H LEU 34 -17.044 1.763 -3.788 663 HA LEU 34 HA LEU 34 -19.905 1.671 -3.740 664 1HB LEU 34 1HB LEU 34 -17.683 0.363 -2.280 665 2HB LEU 34 2HB LEU 34 -19.220 0.456 -1.441 666 HG LEU 34 HG LEU 34 -19.119 -0.625 -4.231 667 1HD1 LEU 34 1HD1 LEU 34 -18.449 -2.135 -1.712 668 2HD1 LEU 34 2HD1 LEU 34 -18.837 -2.885 -3.260 669 3HD1 LEU 34 3HD1 LEU 34 -17.401 -1.874 -3.105 670 1HD2 LEU 34 1HD2 LEU 34 -20.889 -1.052 -1.832 671 2HD2 LEU 34 2HD2 LEU 34 -21.300 -0.227 -3.335 672 3HD2 LEU 34 3HD2 LEU 34 -21.018 -1.968 -3.333 673 H LYS 35 H LYS 35 -17.396 3.227 -1.829 674 HA LYS 35 HA LYS 35 -19.210 4.198 0.174 675 1HB LYS 35 1HB LYS 35 -16.815 3.770 0.640 676 2HB LYS 35 2HB LYS 35 -16.385 5.077 -0.455 677 1HG LYS 35 1HG LYS 35 -18.065 6.383 1.187 678 2HG LYS 35 2HG LYS 35 -17.418 5.174 2.298 679 1HD LYS 35 1HD LYS 35 -15.813 6.757 2.571 680 2HD LYS 35 2HD LYS 35 -15.134 5.952 1.155 681 1HE LYS 35 1HE LYS 35 -16.334 7.613 -0.270 682 2HE LYS 35 2HE LYS 35 -16.799 8.464 1.203 683 1HZ LYS 35 1HZ LYS 35 -14.208 8.335 1.599 684 2HZ LYS 35 2HZ LYS 35 -14.188 8.279 -0.092 685 3HZ LYS 35 3HZ LYS 35 -14.911 9.585 0.702 686 H GLN 36 H GLN 36 -18.043 5.294 -2.897 687 HA GLN 36 HA GLN 36 -18.781 8.048 -2.505 688 1HB GLN 36 1HB GLN 36 -16.976 7.525 -4.033 689 2HB GLN 36 2HB GLN 36 -18.034 6.495 -4.988 690 1HG GLN 36 1HG GLN 36 -18.553 8.225 -6.255 691 2HG GLN 36 2HG GLN 36 -19.253 9.034 -4.853 692 2HE2 GLN 36 2HE2 GLN 36 -18.615 11.079 -5.263 693 1HE2 GLN 36 1HE2 GLN 36 -16.966 11.587 -5.339 694 H SER 37 H SER 37 -20.270 5.158 -3.772 695 HA SER 37 HA SER 37 -22.436 6.487 -5.082 696 1HB SER 37 1HB SER 37 -22.025 3.617 -4.224 697 2HB SER 37 2HB SER 37 -23.453 4.172 -5.099 698 HG SER 37 HG SER 37 -21.680 5.075 -6.592 699 H GLU 38 H GLU 38 -21.776 5.455 -1.845 700 HA GLU 38 HA GLU 38 -24.488 5.406 -0.945 701 1HB GLU 38 1HB GLU 38 -22.484 4.245 0.131 702 2HB GLU 38 2HB GLU 38 -22.055 5.820 0.786 703 1HG GLU 38 1HG GLU 38 -24.777 4.663 1.231 704 2HG GLU 38 2HG GLU 38 -23.410 4.191 2.240 705 H ASP 39 H ASP 39 -22.090 7.861 -1.387 706 HA ASP 39 HA ASP 39 -23.911 9.825 -0.157 707 1HB ASP 39 1HB ASP 39 -21.593 9.374 0.947 708 2HB ASP 39 2HB ASP 39 -20.958 10.312 -0.403 709 H ASP 40 H ASP 40 -23.729 8.813 -2.938 710 HA ASP 40 HA ASP 40 -22.582 10.931 -4.504 711 1HB ASP 40 1HB ASP 40 -23.198 8.342 -5.046 712 2HB ASP 40 2HB ASP 40 -24.579 9.160 -5.771 713 H ASP 41 H ASP 41 -23.970 12.049 -6.187 714 HA ASP 41 HA ASP 41 -26.401 13.058 -4.873 715 1HB ASP 41 1HB ASP 41 -24.246 14.497 -5.655 716 2HB ASP 41 2HB ASP 41 -25.226 14.592 -7.115 No H/Q in entry = 716 Start of MODEL 22 1 H1 ALA 1 H1 ALA 1 -35.907 2.081 3.650 2 H2 ALA 1 H2 ALA 1 -36.394 3.727 3.664 3 H3 ALA 1 H3 ALA 1 -37.134 2.620 2.582 4 HA ALA 1 HA ALA 1 -35.181 2.366 1.359 5 1HB ALA 1 1HB ALA 1 -36.686 4.435 1.106 6 2HB ALA 1 2HB ALA 1 -35.354 5.317 1.854 7 3HB ALA 1 3HB ALA 1 -35.099 4.455 0.335 8 H LEU 2 H LEU 2 -33.765 1.423 3.127 9 HA LEU 2 HA LEU 2 -31.569 3.306 3.680 10 1HB LEU 2 1HB LEU 2 -32.731 1.184 5.471 11 2HB LEU 2 2HB LEU 2 -31.130 1.852 5.729 12 HG LEU 2 HG LEU 2 -33.063 3.975 5.456 13 1HD1 LEU 2 1HD1 LEU 2 -34.579 2.162 6.294 14 2HD1 LEU 2 2HD1 LEU 2 -33.580 2.092 7.746 15 3HD1 LEU 2 3HD1 LEU 2 -34.449 3.574 7.343 16 1HD2 LEU 2 1HD2 LEU 2 -30.839 4.170 6.468 17 2HD2 LEU 2 2HD2 LEU 2 -32.113 4.660 7.586 18 3HD2 LEU 2 3HD2 LEU 2 -31.339 3.085 7.765 19 H LYS 3 H LYS 3 -29.482 2.522 3.462 20 HA LYS 3 HA LYS 3 -29.244 -0.180 2.311 21 1HB LYS 3 1HB LYS 3 -28.008 2.412 1.428 22 2HB LYS 3 2HB LYS 3 -27.245 0.875 1.044 23 1HG LYS 3 1HG LYS 3 -29.215 0.155 -0.157 24 2HG LYS 3 2HG LYS 3 -30.060 1.637 0.295 25 1HD LYS 3 1HD LYS 3 -27.602 1.421 -1.441 26 2HD LYS 3 2HD LYS 3 -29.236 1.825 -1.973 27 1HE LYS 3 1HE LYS 3 -28.905 3.707 -0.095 28 2HE LYS 3 2HE LYS 3 -27.222 3.481 -0.572 29 1HZ LYS 3 1HZ LYS 3 -28.275 3.670 -2.954 30 2HZ LYS 3 2HZ LYS 3 -29.469 4.536 -2.123 31 3HZ LYS 3 3HZ LYS 3 -27.858 5.050 -2.069 32 H LYS 4 H LYS 4 -28.716 -0.950 4.424 33 HA LYS 4 HA LYS 4 -26.366 0.077 5.752 34 1HB LYS 4 1HB LYS 4 -28.222 -2.229 6.328 35 2HB LYS 4 2HB LYS 4 -26.789 -1.902 7.294 36 1HG LYS 4 1HG LYS 4 -27.681 -0.031 8.243 37 2HG LYS 4 2HG LYS 4 -28.714 0.315 6.854 38 1HD LYS 4 1HD LYS 4 -30.350 -1.159 7.532 39 2HD LYS 4 2HD LYS 4 -29.223 -2.141 8.470 40 1HE LYS 4 1HE LYS 4 -29.164 0.383 9.659 41 2HE LYS 4 2HE LYS 4 -30.864 0.080 9.306 42 1HZ LYS 4 1HZ LYS 4 -29.880 -2.275 10.347 43 2HZ LYS 4 2HZ LYS 4 -29.230 -1.056 11.324 44 3HZ LYS 4 3HZ LYS 4 -30.905 -1.171 11.117 45 H HIS 5 H HIS 5 -27.212 -2.605 3.675 46 HA HIS 5 HA HIS 5 -25.086 -4.321 4.070 47 1HB HIS 5 1HB HIS 5 -25.388 -4.813 1.546 48 2HB HIS 5 2HB HIS 5 -26.745 -5.109 2.627 49 HD1 HIS 5 HD1 HIS 5 -28.867 -3.791 2.226 50 HD2 HIS 5 HD2 HIS 5 -25.682 -2.496 -0.109 51 HE1 HIS 5 HE1 HIS 5 -29.860 -2.183 0.567 52 HE2 HIS 5 HE2 HIS 5 -27.915 -1.409 -0.836 53 H HIS 6 H HIS 6 -25.190 -1.290 2.306 54 HA HIS 6 HA HIS 6 -22.754 -1.529 0.930 55 1HB HIS 6 1HB HIS 6 -24.660 0.596 1.544 56 2HB HIS 6 2HB HIS 6 -22.998 1.177 1.501 57 HD1 HIS 6 HD1 HIS 6 -23.687 -1.623 -0.780 58 HD2 HIS 6 HD2 HIS 6 -23.794 2.529 -0.917 59 HE1 HIS 6 HE1 HIS 6 -23.788 -1.034 -3.223 60 HE2 HIS 6 HE2 HIS 6 -23.852 1.484 -3.283 61 H GLU 7 H GLU 7 -23.449 0.118 4.016 62 HA GLU 7 HA GLU 7 -20.868 0.858 4.666 63 1HB GLU 7 1HB GLU 7 -23.149 1.302 5.866 64 2HB GLU 7 2HB GLU 7 -22.734 -0.134 6.791 65 1HG GLU 7 1HG GLU 7 -20.703 0.898 7.570 66 2HG GLU 7 2HG GLU 7 -20.991 2.306 6.549 67 H ASN 8 H ASN 8 -22.301 -2.285 4.638 68 HA ASN 8 HA ASN 8 -20.506 -3.556 6.444 69 1HB ASN 8 1HB ASN 8 -22.790 -4.297 4.957 70 2HB ASN 8 2HB ASN 8 -21.494 -5.371 4.437 71 2HD2 ASN 8 2HD2 ASN 8 -23.176 -6.825 5.513 72 1HD2 ASN 8 1HD2 ASN 8 -22.909 -7.175 7.182 73 H GLU 9 H GLU 9 -20.729 -3.734 2.877 74 HA GLU 9 HA GLU 9 -18.146 -4.918 2.616 75 1HB GLU 9 1HB GLU 9 -20.158 -3.769 0.725 76 2HB GLU 9 2HB GLU 9 -18.526 -4.079 0.149 77 1HG GLU 9 1HG GLU 9 -20.182 -5.909 -0.260 78 2HG GLU 9 2HG GLU 9 -18.710 -6.394 0.581 79 H ILE 10 H ILE 10 -19.103 -1.789 3.331 80 HA ILE 10 HA ILE 10 -16.902 -0.449 2.014 81 HB ILE 10 HB ILE 10 -19.243 0.452 3.681 82 1HG1 ILE 10 1HG1 ILE 10 -18.325 1.194 0.902 83 2HG1 ILE 10 2HG1 ILE 10 -19.568 0.004 1.279 84 1HG2 ILE 10 1HG2 ILE 10 -16.717 1.814 3.526 85 2HG2 ILE 10 2HG2 ILE 10 -17.989 2.767 2.762 86 3HG2 ILE 10 3HG2 ILE 10 -18.170 2.234 4.432 87 1HD1 ILE 10 1HD1 ILE 10 -20.204 2.459 2.580 88 2HD1 ILE 10 2HD1 ILE 10 -19.868 2.767 0.877 89 3HD1 ILE 10 3HD1 ILE 10 -21.100 1.592 1.333 90 H SER 11 H SER 11 -17.822 -1.675 5.146 91 HA SER 11 HA SER 11 -15.681 -0.350 6.549 92 1HB SER 11 1HB SER 11 -16.428 -1.570 8.491 93 2HB SER 11 2HB SER 11 -17.860 -1.002 7.633 94 HG SER 11 HG SER 11 -17.792 -3.293 8.361 95 H HIS 12 H HIS 12 -16.231 -3.369 4.917 96 HA HIS 12 HA HIS 12 -13.894 -4.647 5.997 97 1HB HIS 12 1HB HIS 12 -15.230 -6.364 5.398 98 2HB HIS 12 2HB HIS 12 -16.153 -5.373 4.283 99 HD1 HIS 12 HD1 HIS 12 -13.164 -7.649 4.427 100 HD2 HIS 12 HD2 HIS 12 -15.474 -5.636 1.624 101 HE1 HIS 12 HE1 HIS 12 -12.461 -8.571 2.194 102 HE2 HIS 12 HE2 HIS 12 -13.875 -7.341 0.509 103 H HIS 13 H HIS 13 -14.774 -3.181 2.842 104 HA HIS 13 HA HIS 13 -12.191 -3.566 1.719 105 1HB HIS 13 1HB HIS 13 -14.288 -1.511 0.993 106 2HB HIS 13 2HB HIS 13 -12.870 -1.909 0.033 107 HD1 HIS 13 HD1 HIS 13 -13.209 -5.066 0.425 108 HD2 HIS 13 HD2 HIS 13 -16.079 -2.372 -0.888 109 HE1 HIS 13 HE1 HIS 13 -14.840 -6.431 -0.919 110 HE2 HIS 13 HE2 HIS 13 -16.576 -4.780 -1.705 111 H ALA 14 H ALA 14 -13.563 -1.223 3.873 112 HA ALA 14 HA ALA 14 -11.694 0.865 3.464 113 1HB ALA 14 1HB ALA 14 -13.665 0.169 5.587 114 2HB ALA 14 2HB ALA 14 -12.430 1.376 5.944 115 3HB ALA 14 3HB ALA 14 -13.540 1.623 4.595 116 H LYS 15 H LYS 15 -11.887 -1.751 5.865 117 HA LYS 15 HA LYS 15 -9.411 -1.123 7.107 118 1HB LYS 15 1HB LYS 15 -11.422 -2.609 7.920 119 2HB LYS 15 2HB LYS 15 -10.538 -3.897 7.112 120 1HG LYS 15 1HG LYS 15 -8.624 -3.542 8.519 121 2HG LYS 15 2HG LYS 15 -9.380 -2.126 9.252 122 1HD LYS 15 1HD LYS 15 -11.179 -3.576 10.122 123 2HD LYS 15 2HD LYS 15 -10.348 -4.978 9.445 124 1HE LYS 15 1HE LYS 15 -8.820 -5.021 11.094 125 2HE LYS 15 2HE LYS 15 -8.674 -3.265 11.137 126 1HZ LYS 15 1HZ LYS 15 -11.191 -4.266 12.125 127 2HZ LYS 15 2HZ LYS 15 -9.856 -4.759 13.037 128 3HZ LYS 15 3HZ LYS 15 -10.148 -3.112 12.791 129 H GLU 16 H GLU 16 -10.247 -2.717 4.182 130 HA GLU 16 HA GLU 16 -7.875 -4.318 3.990 131 1HB GLU 16 1HB GLU 16 -10.195 -3.701 2.228 132 2HB GLU 16 2HB GLU 16 -8.726 -4.297 1.469 133 1HG GLU 16 1HG GLU 16 -9.880 -5.743 3.809 134 2HG GLU 16 2HG GLU 16 -10.578 -5.956 2.204 135 H ILE 17 H ILE 17 -8.910 -1.159 2.753 136 HA ILE 17 HA ILE 17 -6.530 -0.827 1.160 137 HB ILE 17 HB ILE 17 -8.555 0.269 0.437 138 1HG1 ILE 17 1HG1 ILE 17 -6.233 1.359 0.167 139 2HG1 ILE 17 2HG1 ILE 17 -7.650 2.352 -0.145 140 1HG2 ILE 17 1HG2 ILE 17 -8.619 1.208 3.222 141 2HG2 ILE 17 2HG2 ILE 17 -9.107 2.393 2.009 142 3HG2 ILE 17 3HG2 ILE 17 -9.939 0.841 2.111 143 1HD1 ILE 17 1HD1 ILE 17 -6.936 2.595 2.604 144 2HD1 ILE 17 2HD1 ILE 17 -5.510 2.868 1.602 145 3HD1 ILE 17 3HD1 ILE 17 -6.966 3.831 1.346 146 H GLU 18 H GLU 18 -7.527 -0.090 4.404 147 HA GLU 18 HA GLU 18 -5.366 1.757 4.893 148 1HB GLU 18 1HB GLU 18 -7.702 0.763 6.351 149 2HB GLU 18 2HB GLU 18 -6.281 0.951 7.370 150 1HG GLU 18 1HG GLU 18 -6.073 3.273 6.678 151 2HG GLU 18 2HG GLU 18 -7.472 3.091 5.620 152 H ARG 19 H ARG 19 -6.037 -1.647 5.388 153 HA ARG 19 HA ARG 19 -3.747 -2.143 7.027 154 1HB ARG 19 1HB ARG 19 -5.694 -3.888 5.545 155 2HB ARG 19 2HB ARG 19 -4.253 -4.580 6.279 156 1HG ARG 19 1HG ARG 19 -6.137 -2.880 7.869 157 2HG ARG 19 2HG ARG 19 -6.436 -4.601 7.617 158 1HD ARG 19 1HD ARG 19 -3.833 -4.632 8.377 159 2HD ARG 19 2HD ARG 19 -4.433 -3.250 9.293 160 HE ARG 19 HE ARG 19 -5.578 -4.697 10.636 161 1HH1 ARG 19 1HH1 ARG 19 -4.731 -6.338 7.686 162 2HH1 ARG 19 2HH1 ARG 19 -5.287 -7.884 8.232 163 1HH2 ARG 19 1HH2 ARG 19 -6.316 -6.728 11.368 164 2HH2 ARG 19 2HH2 ARG 19 -6.189 -8.106 10.326 165 H LEU 20 H LEU 20 -4.484 -2.395 3.585 166 HA LEU 20 HA LEU 20 -2.050 -3.627 2.830 167 1HB LEU 20 1HB LEU 20 -4.406 -2.904 1.559 168 2HB LEU 20 2HB LEU 20 -3.205 -1.871 0.813 169 HG LEU 20 HG LEU 20 -3.293 -3.758 -0.567 170 1HD1 LEU 20 1HD1 LEU 20 -0.974 -3.167 0.809 171 2HD1 LEU 20 2HD1 LEU 20 -1.088 -4.924 0.912 172 3HD1 LEU 20 3HD1 LEU 20 -1.102 -4.129 -0.662 173 1HD2 LEU 20 1HD2 LEU 20 -4.578 -5.110 1.145 174 2HD2 LEU 20 2HD2 LEU 20 -3.438 -6.005 0.139 175 3HD2 LEU 20 3HD2 LEU 20 -3.012 -5.591 1.800 176 H GLN 21 H GLN 21 -3.106 -0.265 3.092 177 HA GLN 21 HA GLN 21 -0.846 0.949 1.959 178 1HB GLN 21 1HB GLN 21 -3.154 1.933 2.752 179 2HB GLN 21 2HB GLN 21 -2.283 2.228 4.250 180 1HG GLN 21 1HG GLN 21 -0.665 3.587 3.091 181 2HG GLN 21 2HG GLN 21 -1.420 3.217 1.542 182 2HE2 GLN 21 2HE2 GLN 21 -2.113 4.636 4.708 183 1HE2 GLN 21 1HE2 GLN 21 -3.221 5.828 4.128 184 H LYS 22 H LYS 22 -1.543 -0.040 5.286 185 HA LYS 22 HA LYS 22 0.740 1.042 6.495 186 1HB LYS 22 1HB LYS 22 -1.435 -0.301 7.399 187 2HB LYS 22 2HB LYS 22 -0.211 -1.556 7.534 188 1HG LYS 22 1HG LYS 22 1.063 0.588 8.635 189 2HG LYS 22 2HG LYS 22 -0.611 0.859 9.124 190 1HD LYS 22 1HD LYS 22 0.973 -1.673 9.560 191 2HD LYS 22 2HD LYS 22 0.601 -0.461 10.788 192 1HE LYS 22 1HE LYS 22 -1.851 -0.888 10.209 193 2HE LYS 22 2HE LYS 22 -1.275 -2.326 9.366 194 1HZ LYS 22 1HZ LYS 22 -0.249 -3.051 11.463 195 2HZ LYS 22 2HZ LYS 22 -0.920 -1.711 12.249 196 3HZ LYS 22 3HZ LYS 22 -1.928 -2.898 11.589 197 H GLU 23 H GLU 23 0.196 -2.061 4.898 198 HA GLU 23 HA GLU 23 2.648 -3.265 5.544 199 1HB GLU 23 1HB GLU 23 0.499 -3.711 3.579 200 2HB GLU 23 2HB GLU 23 2.073 -4.335 3.106 201 1HG GLU 23 1HG GLU 23 2.062 -5.946 4.682 202 2HG GLU 23 2HG GLU 23 1.201 -4.949 5.854 203 H ILE 24 H ILE 24 1.705 -1.346 2.696 204 HA ILE 24 HA ILE 24 4.157 -1.533 1.356 205 HB ILE 24 HB ILE 24 3.390 0.006 -0.152 206 1HG1 ILE 24 1HG1 ILE 24 1.593 1.799 0.672 207 2HG1 ILE 24 2HG1 ILE 24 2.404 1.532 2.212 208 1HG2 ILE 24 1HG2 ILE 24 1.620 -1.757 0.426 209 2HG2 ILE 24 2HG2 ILE 24 0.724 -0.411 1.132 210 3HG2 ILE 24 3HG2 ILE 24 1.147 -0.387 -0.578 211 1HD1 ILE 24 1HD1 ILE 24 4.392 1.856 0.218 212 2HD1 ILE 24 2HD1 ILE 24 3.214 3.160 0.050 213 3HD1 ILE 24 3HD1 ILE 24 4.024 2.898 1.595 214 H GLU 25 H GLU 25 3.059 0.598 3.908 215 HA GLU 25 HA GLU 25 5.132 2.477 3.864 216 1HB GLU 25 1HB GLU 25 2.928 2.434 5.240 217 2HB GLU 25 2HB GLU 25 3.871 1.537 6.423 218 1HG GLU 25 1HG GLU 25 4.682 3.425 7.228 219 2HG GLU 25 2HG GLU 25 5.367 3.819 5.652 220 H ARG 26 H ARG 26 4.848 -0.634 5.539 221 HA ARG 26 HA ARG 26 7.206 -0.545 7.015 222 1HB ARG 26 1HB ARG 26 5.784 -2.890 5.745 223 2HB ARG 26 2HB ARG 26 7.136 -3.061 6.858 224 1HG ARG 26 1HG ARG 26 5.737 -1.702 8.499 225 2HG ARG 26 2HG ARG 26 4.383 -2.009 7.409 226 1HD ARG 26 1HD ARG 26 5.644 -4.483 7.777 227 2HD ARG 26 2HD ARG 26 5.582 -3.738 9.374 228 HE ARG 26 HE ARG 26 3.071 -3.421 8.248 229 1HH1 ARG 26 1HH1 ARG 26 5.154 -6.041 9.209 230 2HH1 ARG 26 2HH1 ARG 26 3.848 -7.116 9.580 231 1HH2 ARG 26 1HH2 ARG 26 1.343 -4.829 8.732 232 2HH2 ARG 26 2HH2 ARG 26 1.681 -6.427 9.308 233 H HIS 27 H HIS 27 6.641 -1.783 3.730 234 HA HIS 27 HA HIS 27 9.320 -2.502 3.212 235 1HB HIS 27 1HB HIS 27 6.833 -2.382 1.750 236 2HB HIS 27 2HB HIS 27 8.151 -1.763 0.760 237 HD1 HIS 27 HD1 HIS 27 10.372 -3.503 0.883 238 HD2 HIS 27 HD2 HIS 27 6.564 -5.050 1.495 239 HE1 HIS 27 HE1 HIS 27 10.573 -5.973 0.454 240 HE2 HIS 27 HE2 HIS 27 8.257 -6.890 0.830 241 H LYS 28 H LYS 28 7.644 0.525 3.179 242 HA LYS 28 HA LYS 28 9.552 1.928 1.569 243 1HB LYS 28 1HB LYS 28 7.060 2.507 2.037 244 2HB LYS 28 2HB LYS 28 7.681 3.261 3.498 245 1HG LYS 28 1HG LYS 28 9.313 4.214 1.453 246 2HG LYS 28 2HG LYS 28 7.679 4.230 0.787 247 1HD LYS 28 1HD LYS 28 8.389 5.392 3.474 248 2HD LYS 28 2HD LYS 28 8.378 6.333 1.980 249 1HE LYS 28 1HE LYS 28 6.024 5.831 1.655 250 2HE LYS 28 2HE LYS 28 6.021 4.817 3.099 251 1HZ LYS 28 1HZ LYS 28 6.985 7.481 3.577 252 2HZ LYS 28 2HZ LYS 28 5.388 7.448 3.025 253 3HZ LYS 28 3HZ LYS 28 5.818 6.588 4.415 254 H GLN 29 H GLN 29 9.242 1.114 4.914 255 HA GLN 29 HA GLN 29 11.028 3.127 5.899 256 1HB GLN 29 1HB GLN 29 9.340 2.135 7.361 257 2HB GLN 29 2HB GLN 29 10.067 0.548 7.154 258 1HG GLN 29 1HG GLN 29 12.179 1.572 8.143 259 2HG GLN 29 2HG GLN 29 11.152 2.921 8.628 260 2HE2 GLN 29 2HE2 GLN 29 12.499 1.441 10.493 261 1HE2 GLN 29 1HE2 GLN 29 11.376 0.515 11.424 262 H SER 30 H SER 30 11.294 -0.266 4.967 263 HA SER 30 HA SER 30 13.995 -0.586 5.785 264 1HB SER 30 1HB SER 30 12.493 -2.140 3.665 265 2HB SER 30 2HB SER 30 13.947 -2.659 4.517 266 HG SER 30 HG SER 30 11.364 -2.851 5.275 267 H ILE 31 H ILE 31 12.465 0.276 2.711 268 HA ILE 31 HA ILE 31 14.910 0.354 1.236 269 HB ILE 31 HB ILE 31 12.835 -0.011 0.075 270 1HG1 ILE 31 1HG1 ILE 31 12.922 1.950 -1.585 271 2HG1 ILE 31 2HG1 ILE 31 14.227 2.576 -0.581 272 1HG2 ILE 31 1HG2 ILE 31 11.789 1.860 1.798 273 2HG2 ILE 31 2HG2 ILE 31 11.757 2.679 0.237 274 3HG2 ILE 31 3HG2 ILE 31 10.952 1.122 0.432 275 1HD1 ILE 31 1HD1 ILE 31 15.368 0.349 -0.924 276 2HD1 ILE 31 2HD1 ILE 31 14.152 0.033 -2.161 277 3HD1 ILE 31 3HD1 ILE 31 15.250 1.401 -2.333 278 H LYS 32 H LYS 32 13.188 2.592 3.248 279 HA LYS 32 HA LYS 32 14.495 4.947 2.265 280 1HB LYS 32 1HB LYS 32 12.704 4.313 4.577 281 2HB LYS 32 2HB LYS 32 13.605 5.823 4.583 282 1HG LYS 32 1HG LYS 32 11.831 4.985 2.307 283 2HG LYS 32 2HG LYS 32 11.262 5.937 3.679 284 1HD LYS 32 1HD LYS 32 12.138 7.809 2.842 285 2HD LYS 32 2HD LYS 32 13.700 7.032 2.574 286 1HE LYS 32 1HE LYS 32 13.087 6.291 0.434 287 2HE LYS 32 2HE LYS 32 11.372 6.571 0.736 288 1HZ LYS 32 1HZ LYS 32 13.192 8.865 0.836 289 2HZ LYS 32 2HZ LYS 32 12.786 8.235 -0.680 290 3HZ LYS 32 3HZ LYS 32 11.572 8.795 0.356 291 H LYS 33 H LYS 33 15.044 2.620 4.826 292 HA LYS 33 HA LYS 33 17.105 4.113 6.127 293 1HB LYS 33 1HB LYS 33 15.802 2.382 7.298 294 2HB LYS 33 2HB LYS 33 16.485 1.154 6.241 295 1HG LYS 33 1HG LYS 33 18.500 2.776 7.587 296 2HG LYS 33 2HG LYS 33 17.458 1.875 8.691 297 1HD LYS 33 1HD LYS 33 18.725 0.556 6.312 298 2HD LYS 33 2HD LYS 33 19.598 0.734 7.836 299 1HE LYS 33 1HE LYS 33 16.885 -0.555 7.603 300 2HE LYS 33 2HE LYS 33 18.400 -1.453 7.536 301 1HZ LYS 33 1HZ LYS 33 18.231 0.307 9.797 302 2HZ LYS 33 2HZ LYS 33 17.014 -0.868 9.789 303 3HZ LYS 33 3HZ LYS 33 18.640 -1.334 9.733 304 H LEU 34 H LEU 34 16.965 1.747 3.556 305 HA LEU 34 HA LEU 34 19.746 1.177 3.455 306 1HB LEU 34 1HB LEU 34 17.635 -0.015 2.380 307 2HB LEU 34 2HB LEU 34 18.043 1.007 1.016 308 HG LEU 34 HG LEU 34 19.125 -0.999 0.541 309 1HD1 LEU 34 1HD1 LEU 34 20.600 1.125 0.622 310 2HD1 LEU 34 2HD1 LEU 34 21.364 0.339 2.003 311 3HD1 LEU 34 3HD1 LEU 34 21.369 -0.450 0.425 312 1HD2 LEU 34 1HD2 LEU 34 18.904 -1.497 3.240 313 2HD2 LEU 34 2HD2 LEU 34 19.669 -2.547 2.048 314 3HD2 LEU 34 3HD2 LEU 34 20.647 -1.416 2.982 315 H LYS 35 H LYS 35 17.651 3.474 1.762 316 HA LYS 35 HA LYS 35 19.696 4.483 0.058 317 1HB LYS 35 1HB LYS 35 17.272 4.664 -0.440 318 2HB LYS 35 2HB LYS 35 17.106 5.799 0.894 319 1HG LYS 35 1HG LYS 35 19.076 6.990 -0.510 320 2HG LYS 35 2HG LYS 35 18.184 6.199 -1.810 321 1HD LYS 35 1HD LYS 35 16.802 7.849 0.285 322 2HD LYS 35 2HD LYS 35 17.485 8.575 -1.172 323 1HE LYS 35 1HE LYS 35 15.900 6.249 -1.811 324 2HE LYS 35 2HE LYS 35 14.962 7.418 -0.882 325 1HZ LYS 35 1HZ LYS 35 15.817 9.120 -2.522 326 2HZ LYS 35 2HZ LYS 35 16.321 7.818 -3.479 327 3HZ LYS 35 3HZ LYS 35 14.681 8.014 -3.112 328 H GLN 36 H GLN 36 18.620 5.223 3.284 329 HA GLN 36 HA GLN 36 19.928 7.764 3.456 330 1HB GLN 36 1HB GLN 36 18.154 6.229 5.065 331 2HB GLN 36 2HB GLN 36 19.566 6.607 6.042 332 1HG GLN 36 1HG GLN 36 19.278 8.972 5.581 333 2HG GLN 36 2HG GLN 36 17.896 8.616 4.546 334 2HE2 GLN 36 2HE2 GLN 36 17.046 10.245 6.182 335 1HE2 GLN 36 1HE2 GLN 36 16.292 9.589 7.590 336 H SER 37 H SER 37 20.829 4.451 4.017 337 HA SER 37 HA SER 37 23.157 5.001 5.574 338 1HB SER 37 1HB SER 37 22.282 2.561 4.018 339 2HB SER 37 2HB SER 37 23.754 2.616 4.987 340 HG SER 37 HG SER 37 22.200 3.356 6.719 341 H GLU 38 H GLU 38 22.450 4.838 2.170 342 HA GLU 38 HA GLU 38 25.120 4.559 1.246 343 1HB GLU 38 1HB GLU 38 23.228 4.028 -0.190 344 2HB GLU 38 2HB GLU 38 22.672 5.694 -0.118 345 1HG GLU 38 1HG GLU 38 25.158 6.083 -1.051 346 2HG GLU 38 2HG GLU 38 24.832 4.480 -1.709 347 H ASP 39 H ASP 39 23.154 7.284 2.200 348 HA ASP 39 HA ASP 39 24.862 9.286 1.083 349 1HB ASP 39 1HB ASP 39 22.336 9.389 1.885 350 2HB ASP 39 2HB ASP 39 23.080 9.882 3.403 351 H ASP 40 H ASP 40 24.418 7.928 4.330 352 HA ASP 40 HA ASP 40 27.145 8.717 4.991 353 1HB ASP 40 1HB ASP 40 26.414 9.653 7.185 354 2HB ASP 40 2HB ASP 40 25.880 10.608 5.805 355 H ASP 41 H ASP 41 28.069 7.517 6.698 356 HA ASP 41 HA ASP 41 26.515 5.461 8.005 357 1HB ASP 41 1HB ASP 41 27.901 3.599 7.172 358 2HB ASP 41 2HB ASP 41 27.003 4.376 5.871 359 H1 ALA 1 H1 ALA 1 35.907 2.083 -3.648 360 H2 ALA 1 H2 ALA 1 36.394 3.729 -3.661 361 H3 ALA 1 H3 ALA 1 37.134 2.621 -2.580 362 HA ALA 1 HA ALA 1 35.181 2.367 -1.357 363 1HB ALA 1 1HB ALA 1 36.686 4.436 -1.103 364 2HB ALA 1 2HB ALA 1 35.354 5.317 -1.850 365 3HB ALA 1 3HB ALA 1 35.100 4.455 -0.332 366 H LEU 2 H LEU 2 33.765 1.425 -3.126 367 HA LEU 2 HA LEU 2 31.569 3.308 -3.678 368 1HB LEU 2 1HB LEU 2 32.731 1.187 -5.470 369 2HB LEU 2 2HB LEU 2 31.130 1.856 -5.727 370 HG LEU 2 HG LEU 2 33.063 3.978 -5.453 371 1HD1 LEU 2 1HD1 LEU 2 34.579 2.166 -6.292 372 2HD1 LEU 2 2HD1 LEU 2 33.581 2.098 -7.744 373 3HD1 LEU 2 3HD1 LEU 2 34.449 3.579 -7.341 374 1HD2 LEU 2 1HD2 LEU 2 30.839 4.174 -6.466 375 2HD2 LEU 2 2HD2 LEU 2 32.113 4.665 -7.583 376 3HD2 LEU 2 3HD2 LEU 2 31.339 3.090 -7.763 377 H LYS 3 H LYS 3 29.482 2.524 -3.460 378 HA LYS 3 HA LYS 3 29.244 -0.179 -2.312 379 1HB LYS 3 1HB LYS 3 28.008 2.413 -1.426 380 2HB LYS 3 2HB LYS 3 27.245 0.876 -1.043 381 1HG LYS 3 1HG LYS 3 29.215 0.155 0.157 382 2HG LYS 3 2HG LYS 3 30.060 1.637 -0.294 383 1HD LYS 3 1HD LYS 3 27.602 1.420 1.442 384 2HD LYS 3 2HD LYS 3 29.236 1.824 1.974 385 1HE LYS 3 1HE LYS 3 28.905 3.707 0.098 386 2HE LYS 3 2HE LYS 3 27.222 3.480 0.574 387 1HZ LYS 3 1HZ LYS 3 28.275 3.668 2.956 388 2HZ LYS 3 2HZ LYS 3 29.469 4.534 2.126 389 3HZ LYS 3 3HZ LYS 3 27.858 5.049 2.072 390 H LYS 4 H LYS 4 28.716 -0.947 -4.425 391 HA LYS 4 HA LYS 4 26.366 0.081 -5.752 392 1HB LYS 4 1HB LYS 4 28.221 -2.225 -6.329 393 2HB LYS 4 2HB LYS 4 26.789 -1.897 -7.295 394 1HG LYS 4 1HG LYS 4 27.681 -0.026 -8.243 395 2HG LYS 4 2HG LYS 4 28.714 0.319 -6.854 396 1HD LYS 4 1HD LYS 4 30.350 -1.154 -7.533 397 2HD LYS 4 2HD LYS 4 29.223 -2.136 -8.472 398 1HE LYS 4 1HE LYS 4 29.164 0.389 -9.659 399 2HE LYS 4 2HE LYS 4 30.864 0.086 -9.306 400 1HZ LYS 4 1HZ LYS 4 29.880 -2.268 -10.349 401 2HZ LYS 4 2HZ LYS 4 29.230 -1.049 -11.325 402 3HZ LYS 4 3HZ LYS 4 30.905 -1.163 -11.118 403 H HIS 5 H HIS 5 27.212 -2.603 -3.677 404 HA HIS 5 HA HIS 5 25.086 -4.318 -4.073 405 1HB HIS 5 1HB HIS 5 25.388 -4.812 -1.549 406 2HB HIS 5 2HB HIS 5 26.745 -5.108 -2.631 407 HD1 HIS 5 HD1 HIS 5 28.867 -3.790 -2.228 408 HD2 HIS 5 HD2 HIS 5 25.682 -2.496 0.108 409 HE1 HIS 5 HE1 HIS 5 29.860 -2.183 -0.569 410 HE2 HIS 5 HE2 HIS 5 27.915 -1.410 0.835 411 H HIS 6 H HIS 6 25.190 -1.289 -2.307 412 HA HIS 6 HA HIS 6 22.754 -1.528 -0.931 413 1HB HIS 6 1HB HIS 6 24.660 0.597 -1.543 414 2HB HIS 6 2HB HIS 6 22.998 1.178 -1.499 415 HD1 HIS 6 HD1 HIS 6 23.687 -1.624 0.779 416 HD2 HIS 6 HD2 HIS 6 23.794 2.528 0.919 417 HE1 HIS 6 HE1 HIS 6 23.789 -1.036 3.222 418 HE2 HIS 6 HE2 HIS 6 23.852 1.482 3.284 419 H GLU 7 H GLU 7 23.448 0.120 -4.016 420 HA GLU 7 HA GLU 7 20.868 0.861 -4.665 421 1HB GLU 7 1HB GLU 7 23.149 1.306 -5.865 422 2HB GLU 7 2HB GLU 7 22.734 -0.130 -6.792 423 1HG GLU 7 1HG GLU 7 20.703 0.903 -7.569 424 2HG GLU 7 2HG GLU 7 20.991 2.310 -6.547 425 H ASN 8 H ASN 8 22.301 -2.282 -4.640 426 HA ASN 8 HA ASN 8 20.506 -3.552 -6.446 427 1HB ASN 8 1HB ASN 8 22.790 -4.294 -4.960 428 2HB ASN 8 2HB ASN 8 21.494 -5.368 -4.440 429 2HD2 ASN 8 2HD2 ASN 8 23.176 -6.822 -5.516 430 1HD2 ASN 8 1HD2 ASN 8 22.909 -7.170 -7.187 431 H GLU 9 H GLU 9 20.729 -3.732 -2.879 432 HA GLU 9 HA GLU 9 18.146 -4.916 -2.620 433 1HB GLU 9 1HB GLU 9 20.157 -3.769 -0.726 434 2HB GLU 9 2HB GLU 9 18.525 -4.080 -0.152 435 1HG GLU 9 1HG GLU 9 20.182 -5.910 0.256 436 2HG GLU 9 2HG GLU 9 18.710 -6.394 -0.586 437 H ILE 10 H ILE 10 19.103 -1.787 -3.332 438 HA ILE 10 HA ILE 10 16.902 -0.448 -2.014 439 HB ILE 10 HB ILE 10 19.243 0.454 -3.681 440 1HG1 ILE 10 1HG1 ILE 10 18.325 1.195 -0.901 441 2HG1 ILE 10 2HG1 ILE 10 19.568 0.005 -1.279 442 1HG2 ILE 10 1HG2 ILE 10 16.717 1.816 -3.525 443 2HG2 ILE 10 2HG2 ILE 10 17.989 2.769 -2.760 444 3HG2 ILE 10 3HG2 ILE 10 18.170 2.237 -4.431 445 1HD1 ILE 10 1HD1 ILE 10 20.204 2.460 -2.578 446 2HD1 ILE 10 2HD1 ILE 10 19.868 2.768 -0.875 447 3HD1 ILE 10 3HD1 ILE 10 21.100 1.593 -1.332 448 H SER 11 H SER 11 17.822 -1.672 -5.147 449 HA SER 11 HA SER 11 15.681 -0.346 -6.550 450 1HB SER 11 1HB SER 11 16.428 -1.565 -8.492 451 2HB SER 11 2HB SER 11 17.860 -0.997 -7.634 452 HG SER 11 HG SER 11 17.792 -3.288 -8.363 453 H HIS 12 H HIS 12 16.231 -3.366 -4.919 454 HA HIS 12 HA HIS 12 13.894 -4.643 -6.000 455 1HB HIS 12 1HB HIS 12 15.230 -6.361 -5.403 456 2HB HIS 12 2HB HIS 12 16.153 -5.370 -4.286 457 HD1 HIS 12 HD1 HIS 12 13.164 -7.646 -4.432 458 HD2 HIS 12 HD2 HIS 12 15.474 -5.635 -1.628 459 HE1 HIS 12 HE1 HIS 12 12.461 -8.570 -2.200 460 HE2 HIS 12 HE2 HIS 12 13.875 -7.341 -0.514 461 H HIS 13 H HIS 13 14.774 -3.179 -2.844 462 HA HIS 13 HA HIS 13 12.191 -3.565 -1.721 463 1HB HIS 13 1HB HIS 13 14.288 -1.510 -0.994 464 2HB HIS 13 2HB HIS 13 12.870 -1.909 -0.034 465 HD1 HIS 13 HD1 HIS 13 13.209 -5.066 -0.428 466 HD2 HIS 13 HD2 HIS 13 16.079 -2.373 0.887 467 HE1 HIS 13 HE1 HIS 13 14.840 -6.432 0.915 468 HE2 HIS 13 HE2 HIS 13 16.576 -4.781 1.701 469 H ALA 14 H ALA 14 13.563 -1.220 -3.874 470 HA ALA 14 HA ALA 14 11.694 0.867 -3.463 471 1HB ALA 14 1HB ALA 14 13.665 0.173 -5.587 472 2HB ALA 14 2HB ALA 14 13.540 1.626 -4.594 473 3HB ALA 14 3HB ALA 14 12.430 1.380 -5.943 474 H LYS 15 H LYS 15 11.887 -1.747 -5.866 475 HA LYS 15 HA LYS 15 9.411 -1.118 -7.108 476 1HB LYS 15 1HB LYS 15 11.422 -2.604 -7.921 477 2HB LYS 15 2HB LYS 15 10.537 -3.892 -7.114 478 1HG LYS 15 1HG LYS 15 8.624 -3.536 -8.521 479 2HG LYS 15 2HG LYS 15 9.380 -2.120 -9.254 480 1HD LYS 15 1HD LYS 15 11.179 -3.569 -10.125 481 2HD LYS 15 2HD LYS 15 10.348 -4.972 -9.449 482 1HE LYS 15 1HE LYS 15 8.820 -5.014 -11.097 483 2HE LYS 15 2HE LYS 15 8.674 -3.258 -11.139 484 1HZ LYS 15 1HZ LYS 15 11.191 -4.258 -12.128 485 2HZ LYS 15 2HZ LYS 15 9.856 -4.750 -13.041 486 3HZ LYS 15 3HZ LYS 15 10.148 -3.103 -12.793 487 H GLU 16 H GLU 16 10.247 -2.714 -4.184 488 HA GLU 16 HA GLU 16 7.875 -4.315 -3.992 489 1HB GLU 16 1HB GLU 16 10.195 -3.700 -2.230 490 2HB GLU 16 2HB GLU 16 8.726 -4.296 -1.472 491 1HG GLU 16 1HG GLU 16 9.880 -5.740 -3.813 492 2HG GLU 16 2HG GLU 16 10.578 -5.955 -2.208 493 H ILE 17 H ILE 17 8.910 -1.157 -2.754 494 HA ILE 17 HA ILE 17 6.530 -0.826 -1.160 495 HB ILE 17 HB ILE 17 8.555 0.269 -0.437 496 1HG1 ILE 17 1HG1 ILE 17 6.233 1.359 -0.166 497 2HG1 ILE 17 2HG1 ILE 17 7.651 2.352 0.146 498 1HG2 ILE 17 1HG2 ILE 17 8.619 1.211 -3.221 499 2HG2 ILE 17 2HG2 ILE 17 9.107 2.394 -2.007 500 3HG2 ILE 17 3HG2 ILE 17 9.939 0.842 -2.110 501 1HD1 ILE 17 1HD1 ILE 17 6.936 2.597 -2.603 502 2HD1 ILE 17 2HD1 ILE 17 5.510 2.869 -1.600 503 3HD1 ILE 17 3HD1 ILE 17 6.966 3.832 -1.343 504 H GLU 18 H GLU 18 7.527 -0.087 -4.404 505 HA GLU 18 HA GLU 18 5.366 1.760 -4.892 506 1HB GLU 18 1HB GLU 18 7.702 0.767 -6.350 507 2HB GLU 18 2HB GLU 18 6.281 0.956 -7.369 508 1HG GLU 18 1HG GLU 18 6.073 3.278 -6.676 509 2HG GLU 18 2HG GLU 18 7.472 3.095 -5.618 510 H ARG 19 H ARG 19 6.037 -1.644 -5.389 511 HA ARG 19 HA ARG 19 3.747 -2.138 -7.028 512 1HB ARG 19 1HB ARG 19 5.694 -3.884 -5.547 513 2HB ARG 19 2HB ARG 19 4.253 -4.576 -6.282 514 1HG ARG 19 1HG ARG 19 6.137 -2.875 -7.871 515 2HG ARG 19 2HG ARG 19 6.436 -4.596 -7.620 516 1HD ARG 19 1HD ARG 19 3.833 -4.627 -8.380 517 2HD ARG 19 2HD ARG 19 4.433 -3.244 -9.295 518 HE ARG 19 HE ARG 19 5.578 -4.690 -10.639 519 1HH1 ARG 19 1HH1 ARG 19 4.731 -6.333 -7.690 520 2HH1 ARG 19 2HH1 ARG 19 5.287 -7.879 -8.237 521 1HH2 ARG 19 1HH2 ARG 19 6.316 -6.721 -11.372 522 2HH2 ARG 19 2HH2 ARG 19 6.189 -8.099 -10.331 523 H LEU 20 H LEU 20 4.484 -2.393 -3.587 524 HA LEU 20 HA LEU 20 2.050 -3.625 -2.832 525 1HB LEU 20 1HB LEU 20 4.406 -2.903 -1.561 526 2HB LEU 20 2HB LEU 20 3.205 -1.870 -0.815 527 HG LEU 20 HG LEU 20 3.293 -3.759 0.564 528 1HD1 LEU 20 1HD1 LEU 20 0.974 -3.166 -0.811 529 2HD1 LEU 20 2HD1 LEU 20 1.088 -4.923 -0.916 530 3HD1 LEU 20 3HD1 LEU 20 1.102 -4.130 0.660 531 1HD2 LEU 20 1HD2 LEU 20 4.578 -5.110 -1.149 532 2HD2 LEU 20 2HD2 LEU 20 3.438 -6.005 -0.143 533 3HD2 LEU 20 3HD2 LEU 20 3.012 -5.590 -1.804 534 H GLN 21 H GLN 21 3.106 -0.263 -3.092 535 HA GLN 21 HA GLN 21 0.846 0.950 -1.959 536 1HB GLN 21 1HB GLN 21 3.154 1.935 -2.751 537 2HB GLN 21 2HB GLN 21 2.283 2.231 -4.249 538 1HG GLN 21 1HG GLN 21 0.665 3.589 -3.089 539 2HG GLN 21 2HG GLN 21 1.420 3.218 -1.540 540 2HE2 GLN 21 2HE2 GLN 21 2.113 4.639 -4.705 541 1HE2 GLN 21 1HE2 GLN 21 3.222 5.831 -4.124 542 H LYS 22 H LYS 22 1.543 -0.037 -5.286 543 HA LYS 22 HA LYS 22 -0.740 1.046 -6.495 544 1HB LYS 22 1HB LYS 22 1.435 -0.296 -7.399 545 2HB LYS 22 2HB LYS 22 0.212 -1.551 -7.535 546 1HG LYS 22 1HG LYS 22 -1.063 0.594 -8.635 547 2HG LYS 22 2HG LYS 22 0.611 0.865 -9.124 548 1HD LYS 22 1HD LYS 22 -0.973 -1.666 -9.561 549 2HD LYS 22 2HD LYS 22 -0.601 -0.454 -10.788 550 1HE LYS 22 1HE LYS 22 1.851 -0.881 -10.209 551 2HE LYS 22 2HE LYS 22 1.275 -2.320 -9.367 552 1HZ LYS 22 1HZ LYS 22 0.249 -3.043 -11.465 553 2HZ LYS 22 2HZ LYS 22 0.920 -1.703 -12.250 554 3HZ LYS 22 3HZ LYS 22 1.928 -2.890 -11.591 555 H GLU 23 H GLU 23 -0.196 -2.058 -4.899 556 HA GLU 23 HA GLU 23 -2.648 -3.261 -5.546 557 1HB GLU 23 1HB GLU 23 -0.499 -3.708 -3.581 558 2HB GLU 23 2HB GLU 23 -2.073 -4.333 -3.109 559 1HG GLU 23 1HG GLU 23 -2.062 -5.943 -4.686 560 2HG GLU 23 2HG GLU 23 -1.201 -4.945 -5.858 561 H ILE 24 H ILE 24 -1.705 -1.344 -2.697 562 HA ILE 24 HA ILE 24 -4.157 -1.532 -1.357 563 HB ILE 24 HB ILE 24 -3.390 0.006 0.152 564 1HG1 ILE 24 1HG1 ILE 24 -1.593 1.800 -0.671 565 2HG1 ILE 24 2HG1 ILE 24 -2.404 1.533 -2.211 566 1HG2 ILE 24 1HG2 ILE 24 -1.620 -1.757 -0.427 567 2HG2 ILE 24 2HG2 ILE 24 -0.724 -0.410 -1.133 568 3HG2 ILE 24 3HG2 ILE 24 -1.147 -0.387 0.578 569 1HD1 ILE 24 1HD1 ILE 24 -4.392 1.856 -0.217 570 2HD1 ILE 24 2HD1 ILE 24 -3.214 3.160 -0.048 571 3HD1 ILE 24 3HD1 ILE 24 -4.024 2.899 -1.593 572 H GLU 25 H GLU 25 -3.059 0.601 -3.908 573 HA GLU 25 HA GLU 25 -5.132 2.480 -3.862 574 1HB GLU 25 1HB GLU 25 -2.928 2.437 -5.238 575 2HB GLU 25 2HB GLU 25 -3.871 1.541 -6.423 576 1HG GLU 25 1HG GLU 25 -4.682 3.430 -7.225 577 2HG GLU 25 2HG GLU 25 -5.367 3.823 -5.649 578 H ARG 26 H ARG 26 -4.848 -0.630 -5.539 579 HA ARG 26 HA ARG 26 -7.206 -0.540 -7.016 580 1HB ARG 26 1HB ARG 26 -5.784 -2.886 -5.747 581 2HB ARG 26 2HB ARG 26 -7.136 -3.056 -6.860 582 1HG ARG 26 1HG ARG 26 -5.737 -1.696 -8.500 583 2HG ARG 26 2HG ARG 26 -4.383 -2.004 -7.410 584 1HD ARG 26 1HD ARG 26 -5.644 -4.477 -7.780 585 2HD ARG 26 2HD ARG 26 -5.582 -3.732 -9.376 586 HE ARG 26 HE ARG 26 -3.071 -3.416 -8.250 587 1HH1 ARG 26 1HH1 ARG 26 -5.155 -6.035 -9.213 588 2HH1 ARG 26 2HH1 ARG 26 -3.848 -7.109 -9.585 589 1HH2 ARG 26 1HH2 ARG 26 -1.343 -4.823 -8.736 590 2HH2 ARG 26 2HH2 ARG 26 -1.681 -6.421 -9.312 591 H HIS 27 H HIS 27 -6.641 -1.780 -3.731 592 HA HIS 27 HA HIS 27 -9.320 -2.500 -3.214 593 1HB HIS 27 1HB HIS 27 -6.833 -2.381 -1.752 594 2HB HIS 27 2HB HIS 27 -8.151 -1.762 -0.762 595 HD1 HIS 27 HD1 HIS 27 -10.372 -3.502 -0.885 596 HD2 HIS 27 HD2 HIS 27 -6.564 -5.049 -1.498 597 HE1 HIS 27 HE1 HIS 27 -10.573 -5.973 -0.458 598 HE2 HIS 27 HE2 HIS 27 -8.257 -6.889 -0.834 599 H LYS 28 H LYS 28 -7.644 0.527 -3.179 600 HA LYS 28 HA LYS 28 -9.552 1.929 -1.568 601 1HB LYS 28 1HB LYS 28 -7.060 2.508 -2.035 602 2HB LYS 28 2HB LYS 28 -7.681 3.263 -3.495 603 1HG LYS 28 1HG LYS 28 -9.313 4.215 -1.450 604 2HG LYS 28 2HG LYS 28 -7.679 4.231 -0.784 605 1HD LYS 28 1HD LYS 28 -8.389 5.394 -3.470 606 2HD LYS 28 2HD LYS 28 -8.378 6.334 -1.976 607 1HE LYS 28 1HE LYS 28 -6.024 5.832 -1.651 608 2HE LYS 28 2HE LYS 28 -6.021 4.819 -3.096 609 1HZ LYS 28 1HZ LYS 28 -6.985 7.484 -3.572 610 2HZ LYS 28 2HZ LYS 28 -5.388 7.450 -3.020 611 3HZ LYS 28 3HZ LYS 28 -5.818 6.591 -4.411 612 H GLN 29 H GLN 29 -9.242 1.117 -4.913 613 HA GLN 29 HA GLN 29 -11.028 3.131 -5.896 614 1HB GLN 29 1HB GLN 29 -9.340 2.140 -7.359 615 2HB GLN 29 2HB GLN 29 -10.067 0.553 -7.153 616 1HG GLN 29 1HG GLN 29 -12.179 1.577 -8.142 617 2HG GLN 29 2HG GLN 29 -11.153 2.927 -8.626 618 2HE2 GLN 29 2HE2 GLN 29 -12.499 1.448 -10.492 619 1HE2 GLN 29 1HE2 GLN 29 -11.376 0.523 -11.424 620 H SER 30 H SER 30 -11.294 -0.263 -4.967 621 HA SER 30 HA SER 30 -13.995 -0.582 -5.785 622 1HB SER 30 1HB SER 30 -12.493 -2.137 -3.666 623 2HB SER 30 2HB SER 30 -13.947 -2.656 -4.519 624 HG SER 30 HG SER 30 -11.364 -2.847 -5.276 625 H ILE 31 H ILE 31 -12.465 0.278 -2.711 626 HA ILE 31 HA ILE 31 -14.910 0.355 -1.236 627 HB ILE 31 HB ILE 31 -12.835 -0.011 -0.075 628 1HG1 ILE 31 1HG1 ILE 31 -12.922 1.949 1.586 629 2HG1 ILE 31 2HG1 ILE 31 -14.227 2.576 0.583 630 1HG2 ILE 31 1HG2 ILE 31 -11.789 1.861 -1.797 631 2HG2 ILE 31 2HG2 ILE 31 -11.757 2.679 -0.235 632 3HG2 ILE 31 3HG2 ILE 31 -10.952 1.122 -0.432 633 1HD1 ILE 31 1HD1 ILE 31 -15.368 0.347 0.924 634 2HD1 ILE 31 2HD1 ILE 31 -14.152 0.032 2.161 635 3HD1 ILE 31 3HD1 ILE 31 -15.250 1.400 2.334 636 H LYS 32 H LYS 32 -13.188 2.594 -3.247 637 HA LYS 32 HA LYS 32 -14.495 4.949 -2.262 638 1HB LYS 32 1HB LYS 32 -12.704 4.316 -4.574 639 2HB LYS 32 2HB LYS 32 -13.604 5.826 -4.579 640 1HG LYS 32 1HG LYS 32 -11.831 4.987 -2.303 641 2HG LYS 32 2HG LYS 32 -11.262 5.940 -3.675 642 1HD LYS 32 1HD LYS 32 -12.138 7.811 -2.837 643 2HD LYS 32 2HD LYS 32 -13.700 7.034 -2.569 644 1HE LYS 32 1HE LYS 32 -13.087 6.291 -0.430 645 2HE LYS 32 2HE LYS 32 -11.372 6.572 -0.732 646 1HZ LYS 32 1HZ LYS 32 -13.192 8.866 -0.830 647 2HZ LYS 32 2HZ LYS 32 -12.786 8.235 0.686 648 3HZ LYS 32 3HZ LYS 32 -11.572 8.795 -0.350 649 H LYS 33 H LYS 33 -15.044 2.623 -4.824 650 HA LYS 33 HA LYS 33 -17.105 4.117 -6.124 651 1HB LYS 33 1HB LYS 33 -15.802 2.387 -7.297 652 2HB LYS 33 2HB LYS 33 -16.485 1.158 -6.240 653 1HG LYS 33 1HG LYS 33 -18.500 2.781 -7.585 654 2HG LYS 33 2HG LYS 33 -17.458 1.881 -8.690 655 1HD LYS 33 1HD LYS 33 -18.725 0.560 -6.312 656 2HD LYS 33 2HD LYS 33 -19.598 0.739 -7.835 657 1HE LYS 33 1HE LYS 33 -16.885 -0.550 -7.604 658 2HE LYS 33 2HE LYS 33 -18.400 -1.448 -7.537 659 1HZ LYS 33 1HZ LYS 33 -18.231 0.314 -9.796 660 2HZ LYS 33 2HZ LYS 33 -17.014 -0.861 -9.790 661 3HZ LYS 33 3HZ LYS 33 -18.640 -1.327 -9.734 662 H LEU 34 H LEU 34 -16.965 1.750 -3.555 663 HA LEU 34 HA LEU 34 -19.746 1.180 -3.455 664 1HB LEU 34 1HB LEU 34 -17.635 -0.013 -2.380 665 2HB LEU 34 2HB LEU 34 -18.043 1.008 -1.014 666 HG LEU 34 HG LEU 34 -19.125 -0.998 -0.542 667 1HD1 LEU 34 1HD1 LEU 34 -20.600 1.126 -0.621 668 2HD1 LEU 34 2HD1 LEU 34 -21.364 0.340 -2.002 669 3HD1 LEU 34 3HD1 LEU 34 -21.369 -0.449 -0.425 670 1HD2 LEU 34 1HD2 LEU 34 -18.904 -1.495 -3.241 671 2HD2 LEU 34 2HD2 LEU 34 -19.669 -2.546 -2.050 672 3HD2 LEU 34 3HD2 LEU 34 -20.647 -1.414 -2.983 673 H LYS 35 H LYS 35 -17.651 3.475 -1.760 674 HA LYS 35 HA LYS 35 -19.696 4.483 -0.055 675 1HB LYS 35 1HB LYS 35 -17.272 4.664 0.443 676 2HB LYS 35 2HB LYS 35 -17.106 5.800 -0.890 677 1HG LYS 35 1HG LYS 35 -19.076 6.990 0.514 678 2HG LYS 35 2HG LYS 35 -18.184 6.198 1.815 679 1HD LYS 35 1HD LYS 35 -16.802 7.849 -0.279 680 2HD LYS 35 2HD LYS 35 -17.484 8.574 1.178 681 1HE LYS 35 1HE LYS 35 -15.900 6.248 1.815 682 2HE LYS 35 2HE LYS 35 -14.962 7.417 0.887 683 1HZ LYS 35 1HZ LYS 35 -15.817 9.119 2.529 684 2HZ LYS 35 2HZ LYS 35 -16.321 7.816 3.484 685 3HZ LYS 35 3HZ LYS 35 -14.681 8.012 3.117 686 H GLN 36 H GLN 36 -18.620 5.225 -3.281 687 HA GLN 36 HA GLN 36 -19.928 7.767 -3.451 688 1HB GLN 36 1HB GLN 36 -18.154 6.232 -5.061 689 2HB GLN 36 2HB GLN 36 -19.566 6.611 -6.037 690 1HG GLN 36 1HG GLN 36 -19.278 8.976 -5.575 691 2HG GLN 36 2HG GLN 36 -17.896 8.619 -4.541 692 2HE2 GLN 36 2HE2 GLN 36 -17.046 10.249 -6.175 693 1HE2 GLN 36 1HE2 GLN 36 -16.292 9.594 -7.584 694 H SER 37 H SER 37 -20.829 4.454 -4.014 695 HA SER 37 HA SER 37 -23.157 5.005 -5.570 696 1HB SER 37 1HB SER 37 -22.281 2.564 -4.016 697 2HB SER 37 2HB SER 37 -23.754 2.619 -4.985 698 HG SER 37 HG SER 37 -22.200 3.361 -6.717 699 H GLU 38 H GLU 38 -22.450 4.840 -2.167 700 HA GLU 38 HA GLU 38 -25.120 4.560 -1.243 701 1HB GLU 38 1HB GLU 38 -23.228 4.028 0.193 702 2HB GLU 38 2HB GLU 38 -22.672 5.694 0.122 703 1HG GLU 38 1HG GLU 38 -25.158 6.082 1.055 704 2HG GLU 38 2HG GLU 38 -24.832 4.479 1.712 705 H ASP 39 H ASP 39 -23.154 7.286 -2.195 706 HA ASP 39 HA ASP 39 -24.862 9.287 -1.076 707 1HB ASP 39 1HB ASP 39 -22.336 9.390 -1.878 708 2HB ASP 39 2HB ASP 39 -23.080 9.885 -3.397 709 H ASP 40 H ASP 40 -24.418 7.931 -4.325 710 HA ASP 40 HA ASP 40 -27.145 8.720 -4.985 711 1HB ASP 40 1HB ASP 40 -26.414 9.658 -7.178 712 2HB ASP 40 2HB ASP 40 -25.880 10.612 -5.798 713 H ASP 41 H ASP 41 -28.069 7.522 -6.693 714 HA ASP 41 HA ASP 41 -26.515 5.466 -8.002 715 1HB ASP 41 1HB ASP 41 -27.901 3.604 -7.169 716 2HB ASP 41 2HB ASP 41 -27.003 4.380 -5.869 No H/Q in entry = 716 Start of MODEL 23 1 H1 ALA 1 H1 ALA 1 -32.058 9.573 3.097 2 H2 ALA 1 H2 ALA 1 -31.533 10.146 1.567 3 H3 ALA 1 H3 ALA 1 -33.072 9.406 1.722 4 HA ALA 1 HA ALA 1 -32.268 7.360 1.776 5 1HB ALA 1 1HB ALA 1 -31.245 7.312 -0.192 6 2HB ALA 1 2HB ALA 1 -31.011 9.056 -0.074 7 3HB ALA 1 3HB ALA 1 -29.765 7.956 0.515 8 H LEU 2 H LEU 2 -31.445 6.028 3.238 9 HA LEU 2 HA LEU 2 -28.766 6.418 4.266 10 1HB LEU 2 1HB LEU 2 -29.849 6.023 6.652 11 2HB LEU 2 2HB LEU 2 -29.594 7.630 5.999 12 HG LEU 2 HG LEU 2 -32.214 6.268 5.532 13 1HD1 LEU 2 1HD1 LEU 2 -31.146 7.171 8.123 14 2HD1 LEU 2 2HD1 LEU 2 -32.764 7.740 7.714 15 3HD1 LEU 2 3HD1 LEU 2 -32.423 6.010 7.760 16 1HD2 LEU 2 1HD2 LEU 2 -31.081 8.804 5.003 17 2HD2 LEU 2 2HD2 LEU 2 -32.723 8.249 4.675 18 3HD2 LEU 2 3HD2 LEU 2 -32.347 9.031 6.210 19 H LYS 3 H LYS 3 -29.361 4.422 2.670 20 HA LYS 3 HA LYS 3 -30.527 2.114 3.689 21 1HB LYS 3 1HB LYS 3 -28.099 2.067 1.909 22 2HB LYS 3 2HB LYS 3 -29.440 0.931 1.953 23 1HG LYS 3 1HG LYS 3 -29.410 3.725 0.854 24 2HG LYS 3 2HG LYS 3 -29.718 2.212 -0.002 25 1HD LYS 3 1HD LYS 3 -31.668 2.104 1.848 26 2HD LYS 3 2HD LYS 3 -31.517 3.853 1.669 27 1HE LYS 3 1HE LYS 3 -32.180 1.810 -0.435 28 2HE LYS 3 2HE LYS 3 -33.153 3.177 0.105 29 1HZ LYS 3 1HZ LYS 3 -31.082 4.509 -0.746 30 2HZ LYS 3 2HZ LYS 3 -30.850 3.134 -1.704 31 3HZ LYS 3 3HZ LYS 3 -32.294 4.011 -1.816 32 H LYS 4 H LYS 4 -27.202 3.285 3.983 33 HA LYS 4 HA LYS 4 -25.574 2.821 5.506 34 1HB LYS 4 1HB LYS 4 -27.581 1.081 6.936 35 2HB LYS 4 2HB LYS 4 -26.128 1.808 7.605 36 1HG LYS 4 1HG LYS 4 -27.489 3.994 6.702 37 2HG LYS 4 2HG LYS 4 -28.795 2.934 7.236 38 1HD LYS 4 1HD LYS 4 -28.378 3.518 9.340 39 2HD LYS 4 2HD LYS 4 -26.767 2.810 9.200 40 1HE LYS 4 1HE LYS 4 -25.815 4.870 8.541 41 2HE LYS 4 2HE LYS 4 -27.397 5.595 8.258 42 1HZ LYS 4 1HZ LYS 4 -27.216 4.697 10.928 43 2HZ LYS 4 2HZ LYS 4 -25.890 5.689 10.581 44 3HZ LYS 4 3HZ LYS 4 -27.462 6.268 10.352 45 H HIS 5 H HIS 5 -26.368 1.012 3.183 46 HA HIS 5 HA HIS 5 -25.268 -1.538 4.075 47 1HB HIS 5 1HB HIS 5 -26.010 -2.450 2.011 48 2HB HIS 5 2HB HIS 5 -27.294 -1.377 2.551 49 HD1 HIS 5 HD1 HIS 5 -26.057 -2.326 -0.459 50 HD2 HIS 5 HD2 HIS 5 -26.363 1.433 1.288 51 HE1 HIS 5 HE1 HIS 5 -26.014 -0.690 -2.369 52 HE2 HIS 5 HE2 HIS 5 -26.200 1.578 -1.288 53 H HIS 6 H HIS 6 -24.467 1.230 2.091 54 HA HIS 6 HA HIS 6 -22.199 0.152 0.810 55 1HB HIS 6 1HB HIS 6 -23.098 2.958 1.419 56 2HB HIS 6 2HB HIS 6 -21.534 2.654 0.672 57 HD1 HIS 6 HD1 HIS 6 -23.089 0.126 -0.920 58 HD2 HIS 6 HD2 HIS 6 -23.755 4.225 -1.087 59 HE1 HIS 6 HE1 HIS 6 -24.236 0.532 -3.120 60 HE2 HIS 6 HE2 HIS 6 -24.630 3.020 -3.202 61 H GLU 7 H GLU 7 -22.607 1.875 3.872 62 HA GLU 7 HA GLU 7 -19.885 2.124 4.513 63 1HB GLU 7 1HB GLU 7 -20.640 2.443 6.820 64 2HB GLU 7 2HB GLU 7 -21.645 3.353 5.700 65 1HG GLU 7 1HG GLU 7 -23.358 1.613 5.830 66 2HG GLU 7 2HG GLU 7 -22.351 0.714 6.965 67 H ASN 8 H ASN 8 -22.075 -0.558 4.623 68 HA ASN 8 HA ASN 8 -20.636 -2.178 6.461 69 1HB ASN 8 1HB ASN 8 -23.044 -2.372 4.997 70 2HB ASN 8 2HB ASN 8 -22.063 -3.753 4.518 71 2HD2 ASN 8 2HD2 ASN 8 -24.423 -4.074 5.875 72 1HD2 ASN 8 1HD2 ASN 8 -24.097 -4.665 7.466 73 H GLU 9 H GLU 9 -20.953 -2.459 2.908 74 HA GLU 9 HA GLU 9 -18.758 -4.251 2.669 75 1HB GLU 9 1HB GLU 9 -20.483 -4.188 0.967 76 2HB GLU 9 2HB GLU 9 -20.127 -2.502 0.617 77 1HG GLU 9 1HG GLU 9 -18.265 -2.996 -0.585 78 2HG GLU 9 2HG GLU 9 -17.917 -4.455 0.341 79 H ILE 10 H ILE 10 -18.910 -0.926 3.222 80 HA ILE 10 HA ILE 10 -16.397 -0.271 1.947 81 HB ILE 10 HB ILE 10 -18.486 1.282 3.451 82 1HG1 ILE 10 1HG1 ILE 10 -17.206 1.827 0.776 83 2HG1 ILE 10 2HG1 ILE 10 -18.613 0.788 0.973 84 1HG2 ILE 10 1HG2 ILE 10 -16.300 2.073 4.296 85 2HG2 ILE 10 2HG2 ILE 10 -15.828 2.446 2.639 86 3HG2 ILE 10 3HG2 ILE 10 -17.182 3.296 3.385 87 1HD1 ILE 10 1HD1 ILE 10 -19.792 2.722 2.017 88 2HD1 ILE 10 2HD1 ILE 10 -18.412 3.725 1.569 89 3HD1 ILE 10 3HD1 ILE 10 -19.373 2.938 0.317 90 H SER 11 H SER 11 -17.634 -1.207 5.046 91 HA SER 11 HA SER 11 -15.369 -0.318 6.565 92 1HB SER 11 1HB SER 11 -17.826 -0.895 7.350 93 2HB SER 11 2HB SER 11 -17.166 -2.522 7.509 94 HG SER 11 HG SER 11 -16.483 -0.176 8.894 95 H HIS 12 H HIS 12 -16.445 -3.335 5.082 96 HA HIS 12 HA HIS 12 -14.281 -4.892 6.074 97 1HB HIS 12 1HB HIS 12 -15.828 -6.408 5.448 98 2HB HIS 12 2HB HIS 12 -16.617 -5.276 4.364 99 HD1 HIS 12 HD1 HIS 12 -14.044 -8.001 4.430 100 HD2 HIS 12 HD2 HIS 12 -15.931 -5.520 1.686 101 HE1 HIS 12 HE1 HIS 12 -13.478 -8.951 2.171 102 HE2 HIS 12 HE2 HIS 12 -14.634 -7.435 0.521 103 H HIS 13 H HIS 13 -14.937 -3.346 2.906 104 HA HIS 13 HA HIS 13 -12.450 -4.063 1.768 105 1HB HIS 13 1HB HIS 13 -14.231 -1.700 1.132 106 2HB HIS 13 2HB HIS 13 -12.879 -2.247 0.150 107 HD1 HIS 13 HD1 HIS 13 -13.637 -5.343 0.437 108 HD2 HIS 13 HD2 HIS 13 -16.122 -2.251 -0.787 109 HE1 HIS 13 HE1 HIS 13 -15.433 -6.436 -0.946 110 HE2 HIS 13 HE2 HIS 13 -16.932 -4.545 -1.676 111 H ALA 14 H ALA 14 -13.451 -1.568 3.962 112 HA ALA 14 HA ALA 14 -11.259 0.194 3.639 113 1HB ALA 14 1HB ALA 14 -13.378 -0.217 5.680 114 2HB ALA 14 2HB ALA 14 -11.949 0.701 6.155 115 3HB ALA 14 3HB ALA 14 -12.930 1.238 4.791 116 H LYS 15 H LYS 15 -11.810 -2.700 5.533 117 HA LYS 15 HA LYS 15 -9.398 -2.474 7.064 118 1HB LYS 15 1HB LYS 15 -11.556 -3.831 7.595 119 2HB LYS 15 2HB LYS 15 -10.839 -5.064 6.565 120 1HG LYS 15 1HG LYS 15 -9.084 -5.450 8.028 121 2HG LYS 15 2HG LYS 15 -9.279 -3.890 8.830 122 1HD LYS 15 1HD LYS 15 -10.169 -5.332 10.397 123 2HD LYS 15 2HD LYS 15 -11.612 -4.847 9.502 124 1HE LYS 15 1HE LYS 15 -10.858 -6.974 8.044 125 2HE LYS 15 2HE LYS 15 -10.230 -7.456 9.619 126 1HZ LYS 15 1HZ LYS 15 -12.936 -6.414 9.620 127 2HZ LYS 15 2HZ LYS 15 -12.736 -7.891 8.822 128 3HZ LYS 15 3HZ LYS 15 -12.285 -7.739 10.446 129 H GLU 16 H GLU 16 -10.275 -3.675 3.940 130 HA GLU 16 HA GLU 16 -8.020 -5.394 3.584 131 1HB GLU 16 1HB GLU 16 -10.289 -4.456 1.967 132 2HB GLU 16 2HB GLU 16 -8.823 -4.768 1.048 133 1HG GLU 16 1HG GLU 16 -9.170 -6.948 1.131 134 2HG GLU 16 2HG GLU 16 -9.282 -6.910 2.890 135 H ILE 17 H ILE 17 -8.750 -2.045 2.625 136 HA ILE 17 HA ILE 17 -6.258 -1.704 1.240 137 HB ILE 17 HB ILE 17 -8.097 -0.334 0.546 138 1HG1 ILE 17 1HG1 ILE 17 -5.935 1.225 1.972 139 2HG1 ILE 17 2HG1 ILE 17 -6.033 0.816 0.264 140 1HG2 ILE 17 1HG2 ILE 17 -8.684 -0.216 3.288 141 2HG2 ILE 17 2HG2 ILE 17 -8.435 1.444 2.755 142 3HG2 ILE 17 3HG2 ILE 17 -9.629 0.428 1.947 143 1HD1 ILE 17 1HD1 ILE 17 -8.218 2.268 0.383 144 2HD1 ILE 17 2HD1 ILE 17 -7.407 2.958 1.787 145 3HD1 ILE 17 3HD1 ILE 17 -6.629 3.011 0.206 146 H GLU 18 H GLU 18 -7.375 -1.334 4.509 147 HA GLU 18 HA GLU 18 -5.187 0.302 5.379 148 1HB GLU 18 1HB GLU 18 -7.611 -0.774 6.518 149 2HB GLU 18 2HB GLU 18 -6.255 -1.047 7.605 150 1HG GLU 18 1HG GLU 18 -5.997 1.594 6.716 151 2HG GLU 18 2HG GLU 18 -7.708 1.365 7.070 152 H ARG 19 H ARG 19 -5.898 -3.142 5.300 153 HA ARG 19 HA ARG 19 -3.639 -3.909 6.873 154 1HB ARG 19 1HB ARG 19 -5.547 -5.385 6.744 155 2HB ARG 19 2HB ARG 19 -5.410 -5.479 4.993 156 1HG ARG 19 1HG ARG 19 -3.203 -6.575 5.277 157 2HG ARG 19 2HG ARG 19 -3.480 -6.585 7.020 158 1HD ARG 19 1HD ARG 19 -4.651 -8.461 6.832 159 2HD ARG 19 2HD ARG 19 -5.784 -7.656 5.747 160 HE ARG 19 HE ARG 19 -3.623 -8.314 4.186 161 1HH1 ARG 19 1HH1 ARG 19 -5.879 -10.039 6.201 162 2HH1 ARG 19 2HH1 ARG 19 -5.803 -11.494 5.266 163 1HH2 ARG 19 1HH2 ARG 19 -3.515 -10.225 2.945 164 2HH2 ARG 19 2HH2 ARG 19 -4.458 -11.600 3.415 165 H LEU 20 H LEU 20 -4.325 -3.738 3.401 166 HA LEU 20 HA LEU 20 -1.825 -4.801 2.584 167 1HB LEU 20 1HB LEU 20 -4.217 -3.994 1.352 168 2HB LEU 20 2HB LEU 20 -2.969 -2.978 0.661 169 HG LEU 20 HG LEU 20 -1.780 -4.843 -0.197 170 1HD1 LEU 20 1HD1 LEU 20 -3.208 -6.282 1.897 171 2HD1 LEU 20 2HD1 LEU 20 -3.165 -7.143 0.358 172 3HD1 LEU 20 3HD1 LEU 20 -1.661 -6.636 1.128 173 1HD2 LEU 20 1HD2 LEU 20 -3.893 -4.155 -1.371 174 2HD2 LEU 20 2HD2 LEU 20 -3.342 -5.795 -1.711 175 3HD2 LEU 20 3HD2 LEU 20 -4.683 -5.526 -0.597 176 H GLN 21 H GLN 21 -3.002 -1.604 3.376 177 HA GLN 21 HA GLN 21 -0.862 -0.113 2.301 178 1HB GLN 21 1HB GLN 21 -2.917 0.993 2.917 179 2HB GLN 21 2HB GLN 21 -2.747 0.474 4.589 180 1HG GLN 21 1HG GLN 21 -0.481 2.021 3.580 181 2HG GLN 21 2HG GLN 21 -2.009 2.901 3.614 182 2HE2 GLN 21 2HE2 GLN 21 -3.257 2.062 5.791 183 1HE2 GLN 21 1HE2 GLN 21 -2.333 2.375 7.216 184 H LYS 22 H LYS 22 -1.402 -1.597 5.466 185 HA LYS 22 HA LYS 22 0.866 -0.576 6.764 186 1HB LYS 22 1HB LYS 22 -0.916 -1.670 7.998 187 2HB LYS 22 2HB LYS 22 -0.598 -3.189 7.173 188 1HG LYS 22 1HG LYS 22 1.832 -2.693 8.238 189 2HG LYS 22 2HG LYS 22 0.785 -1.943 9.444 190 1HD LYS 22 1HD LYS 22 0.592 -4.002 10.302 191 2HD LYS 22 2HD LYS 22 -0.491 -4.319 8.944 192 1HE LYS 22 1HE LYS 22 0.919 -5.830 8.135 193 2HE LYS 22 2HE LYS 22 2.207 -4.628 8.069 194 1HZ LYS 22 1HZ LYS 22 1.496 -6.237 10.462 195 2HZ LYS 22 2HZ LYS 22 2.803 -6.547 9.433 196 3HZ LYS 22 3HZ LYS 22 2.768 -5.125 10.350 197 H GLU 23 H GLU 23 0.394 -3.561 4.901 198 HA GLU 23 HA GLU 23 2.927 -4.668 5.249 199 1HB GLU 23 1HB GLU 23 0.671 -5.377 3.878 200 2HB GLU 23 2HB GLU 23 1.778 -5.008 2.562 201 1HG GLU 23 1HG GLU 23 2.232 -7.214 2.846 202 2HG GLU 23 2HG GLU 23 3.413 -6.524 3.958 203 H ILE 24 H ILE 24 1.771 -2.377 2.799 204 HA ILE 24 HA ILE 24 4.258 -2.246 1.424 205 HB ILE 24 HB ILE 24 3.277 -0.859 -0.060 206 1HG1 ILE 24 1HG1 ILE 24 1.439 0.880 0.819 207 2HG1 ILE 24 2HG1 ILE 24 2.359 0.688 2.309 208 1HG2 ILE 24 1HG2 ILE 24 1.499 -2.628 0.872 209 2HG2 ILE 24 2HG2 ILE 24 0.598 -1.132 1.122 210 3HG2 ILE 24 3HG2 ILE 24 1.187 -1.548 -0.486 211 1HD1 ILE 24 1HD1 ILE 24 4.144 1.042 0.098 212 2HD1 ILE 24 2HD1 ILE 24 2.945 2.339 0.132 213 3HD1 ILE 24 3HD1 ILE 24 3.946 2.026 1.551 214 H GLU 25 H GLU 25 3.022 -0.778 4.283 215 HA GLU 25 HA GLU 25 4.808 1.449 4.363 216 1HB GLU 25 1HB GLU 25 2.555 1.044 5.634 217 2HB GLU 25 2HB GLU 25 3.582 0.246 6.817 218 1HG GLU 25 1HG GLU 25 4.829 2.686 6.245 219 2HG GLU 25 2HG GLU 25 3.109 3.041 6.405 220 H ARG 26 H ARG 26 4.989 -1.893 5.242 221 HA ARG 26 HA ARG 26 7.246 -1.604 6.998 222 1HB ARG 26 1HB ARG 26 5.426 -3.535 6.777 223 2HB ARG 26 2HB ARG 26 6.626 -4.206 5.680 224 1HG ARG 26 1HG ARG 26 8.287 -3.819 7.608 225 2HG ARG 26 2HG ARG 26 6.845 -3.677 8.616 226 1HD ARG 26 1HD ARG 26 6.334 -5.939 7.151 227 2HD ARG 26 2HD ARG 26 8.075 -6.038 7.413 228 HE ARG 26 HE ARG 26 6.929 -5.416 9.859 229 1HH1 ARG 26 1HH1 ARG 26 6.831 -8.020 7.549 230 2HH1 ARG 26 2HH1 ARG 26 6.512 -9.238 8.739 231 1HH2 ARG 26 1HH2 ARG 26 6.510 -7.011 11.435 232 2HH2 ARG 26 2HH2 ARG 26 6.328 -8.664 10.949 233 H HIS 27 H HIS 27 6.735 -2.689 3.654 234 HA HIS 27 HA HIS 27 9.509 -3.166 3.166 235 1HB HIS 27 1HB HIS 27 7.015 -3.435 1.714 236 2HB HIS 27 2HB HIS 27 8.276 -2.755 0.690 237 HD1 HIS 27 HD1 HIS 27 10.669 -4.240 0.982 238 HD2 HIS 27 HD2 HIS 27 7.025 -6.128 1.635 239 HE1 HIS 27 HE1 HIS 27 11.132 -6.699 0.734 240 HE2 HIS 27 HE2 HIS 27 8.912 -7.824 1.133 241 H LYS 28 H LYS 28 7.451 -0.383 2.999 242 HA LYS 28 HA LYS 28 9.248 1.126 1.322 243 1HB LYS 28 1HB LYS 28 7.716 2.909 1.480 244 2HB LYS 28 2HB LYS 28 6.724 1.459 1.441 245 1HG LYS 28 1HG LYS 28 5.705 2.638 3.109 246 2HG LYS 28 2HG LYS 28 6.849 1.674 4.044 247 1HD LYS 28 1HD LYS 28 8.342 3.873 3.422 248 2HD LYS 28 2HD LYS 28 6.731 4.569 3.616 249 1HE LYS 28 1HE LYS 28 7.532 2.628 5.680 250 2HE LYS 28 2HE LYS 28 8.459 4.127 5.651 251 1HZ LYS 28 1HZ LYS 28 5.549 4.337 5.501 252 2HZ LYS 28 2HZ LYS 28 6.218 3.901 6.992 253 3HZ LYS 28 3HZ LYS 28 6.668 5.357 6.257 254 H GLN 29 H GLN 29 8.684 0.628 4.717 255 HA GLN 29 HA GLN 29 10.159 2.879 5.648 256 1HB GLN 29 1HB GLN 29 8.573 1.848 7.129 257 2HB GLN 29 2HB GLN 29 9.363 0.286 6.975 258 1HG GLN 29 1HG GLN 29 11.275 1.064 8.188 259 2HG GLN 29 2HG GLN 29 10.646 2.711 8.207 260 2HE2 GLN 29 2HE2 GLN 29 9.123 3.283 9.691 261 1HE2 GLN 29 1HE2 GLN 29 8.596 2.246 10.968 262 H SER 30 H SER 30 10.951 -0.491 4.957 263 HA SER 30 HA SER 30 13.620 -0.349 5.949 264 1HB SER 30 1HB SER 30 13.769 -2.416 4.245 265 2HB SER 30 2HB SER 30 12.994 -2.548 5.824 266 HG SER 30 HG SER 30 11.594 -3.360 4.290 267 H ILE 31 H ILE 31 12.177 -0.064 2.723 268 HA ILE 31 HA ILE 31 14.649 0.278 1.362 269 HB ILE 31 HB ILE 31 12.485 -0.470 0.340 270 1HG1 ILE 31 1HG1 ILE 31 14.642 0.824 -0.764 271 2HG1 ILE 31 2HG1 ILE 31 13.399 -0.028 -1.664 272 1HG2 ILE 31 1HG2 ILE 31 11.162 1.383 1.423 273 2HG2 ILE 31 2HG2 ILE 31 11.781 2.441 0.156 274 3HG2 ILE 31 3HG2 ILE 31 10.794 1.043 -0.267 275 1HD1 ILE 31 1HD1 ILE 31 13.402 2.926 -1.082 276 2HD1 ILE 31 2HD1 ILE 31 13.901 2.173 -2.598 277 3HD1 ILE 31 3HD1 ILE 31 12.225 2.047 -2.061 278 H LYS 32 H LYS 32 12.589 2.404 3.146 279 HA LYS 32 HA LYS 32 13.578 4.833 1.959 280 1HB LYS 32 1HB LYS 32 11.654 4.101 4.067 281 2HB LYS 32 2HB LYS 32 12.509 5.610 4.346 282 1HG LYS 32 1HG LYS 32 10.353 5.899 3.181 283 2HG LYS 32 2HG LYS 32 11.732 6.507 2.262 284 1HD LYS 32 1HD LYS 32 11.561 3.917 1.401 285 2HD LYS 32 2HD LYS 32 9.865 4.337 1.647 286 1HE LYS 32 1HE LYS 32 10.888 6.558 0.380 287 2HE LYS 32 2HE LYS 32 11.738 5.226 -0.402 288 1HZ LYS 32 1HZ LYS 32 8.789 5.436 -0.115 289 2HZ LYS 32 2HZ LYS 32 9.659 5.783 -1.525 290 3HZ LYS 32 3HZ LYS 32 9.626 4.205 -0.917 291 H LYS 33 H LYS 33 14.351 2.832 4.725 292 HA LYS 33 HA LYS 33 16.083 4.707 5.992 293 1HB LYS 33 1HB LYS 33 15.662 1.741 6.261 294 2HB LYS 33 2HB LYS 33 16.944 2.562 7.141 295 1HG LYS 33 1HG LYS 33 14.584 4.049 7.551 296 2HG LYS 33 2HG LYS 33 14.177 2.347 7.781 297 1HD LYS 33 1HD LYS 33 16.201 2.188 9.277 298 2HD LYS 33 2HD LYS 33 16.304 3.948 9.190 299 1HE LYS 33 1HE LYS 33 14.095 2.267 10.347 300 2HE LYS 33 2HE LYS 33 15.116 3.442 11.175 301 1HZ LYS 33 1HZ LYS 33 13.932 4.881 9.189 302 2HZ LYS 33 2HZ LYS 33 12.693 3.851 9.707 303 3HZ LYS 33 3HZ LYS 33 13.466 4.869 10.815 304 H LEU 34 H LEU 34 16.520 2.107 3.657 305 HA LEU 34 HA LEU 34 19.363 2.164 3.681 306 1HB LEU 34 1HB LEU 34 17.248 0.849 2.133 307 2HB LEU 34 2HB LEU 34 18.698 1.188 1.208 308 HG LEU 34 HG LEU 34 19.040 -0.125 3.853 309 1HD1 LEU 34 1HD1 LEU 34 17.710 -1.363 1.485 310 2HD1 LEU 34 2HD1 LEU 34 18.775 -2.333 2.501 311 3HD1 LEU 34 3HD1 LEU 34 17.356 -1.555 3.202 312 1HD2 LEU 34 1HD2 LEU 34 20.365 -0.301 1.155 313 2HD2 LEU 34 2HD2 LEU 34 21.015 0.405 2.636 314 3HD2 LEU 34 3HD2 LEU 34 20.780 -1.339 2.519 315 H LYS 35 H LYS 35 16.896 3.718 1.673 316 HA LYS 35 HA LYS 35 18.792 4.937 -0.089 317 1HB LYS 35 1HB LYS 35 16.932 6.047 -1.081 318 2HB LYS 35 2HB LYS 35 16.392 4.426 -0.662 319 1HG LYS 35 1HG LYS 35 14.692 5.313 0.435 320 2HG LYS 35 2HG LYS 35 15.832 6.049 1.562 321 1HD LYS 35 1HD LYS 35 15.956 8.040 0.242 322 2HD LYS 35 2HD LYS 35 15.033 7.294 -1.063 323 1HE LYS 35 1HE LYS 35 13.256 8.282 -0.128 324 2HE LYS 35 2HE LYS 35 13.356 6.998 1.077 325 1HZ LYS 35 1HZ LYS 35 15.048 9.313 1.543 326 2HZ LYS 35 2HZ LYS 35 13.384 9.582 1.683 327 3HZ LYS 35 3HZ LYS 35 14.133 8.403 2.635 328 H GLN 36 H GLN 36 17.425 5.742 2.980 329 HA GLN 36 HA GLN 36 18.032 8.551 2.830 330 1HB GLN 36 1HB GLN 36 16.188 7.595 4.233 331 2HB GLN 36 2HB GLN 36 17.413 6.889 5.278 332 1HG GLN 36 1HG GLN 36 18.291 9.283 5.536 333 2HG GLN 36 2HG GLN 36 16.739 9.775 4.862 334 2HE2 GLN 36 2HE2 GLN 36 14.947 8.174 5.966 335 1HE2 GLN 36 1HE2 GLN 36 14.943 8.309 7.689 336 H SER 37 H SER 37 19.651 5.653 3.837 337 HA SER 37 HA SER 37 21.657 6.936 5.421 338 1HB SER 37 1HB SER 37 20.842 4.363 5.185 339 2HB SER 37 2HB SER 37 22.291 4.323 4.181 340 HG SER 37 HG SER 37 22.174 5.286 6.850 341 H GLU 38 H GLU 38 21.228 6.277 2.046 342 HA GLU 38 HA GLU 38 23.967 6.527 1.290 343 1HB GLU 38 1HB GLU 38 22.085 5.419 -0.037 344 2HB GLU 38 2HB GLU 38 21.593 7.044 -0.494 345 1HG GLU 38 1HG GLU 38 24.209 7.141 -1.126 346 2HG GLU 38 2HG GLU 38 23.878 5.431 -1.397 347 H ASP 39 H ASP 39 21.419 8.763 1.968 348 HA ASP 39 HA ASP 39 23.239 10.976 1.345 349 1HB ASP 39 1HB ASP 39 21.392 12.288 0.398 350 2HB ASP 39 2HB ASP 39 21.663 10.815 -0.529 351 H ASP 40 H ASP 40 22.473 9.632 3.831 352 HA ASP 40 HA ASP 40 21.834 10.111 5.964 353 1HB ASP 40 1HB ASP 40 23.339 12.232 5.031 354 2HB ASP 40 2HB ASP 40 21.909 13.022 5.689 355 H ASP 41 H ASP 41 20.363 11.861 7.258 356 HA ASP 41 HA ASP 41 17.736 11.281 6.613 357 1HB ASP 41 1HB ASP 41 18.879 12.360 8.763 358 2HB ASP 41 2HB ASP 41 18.288 13.847 8.026 359 H1 ALA 1 H1 ALA 1 32.058 9.577 -3.093 360 H2 ALA 1 H2 ALA 1 31.532 10.150 -1.562 361 H3 ALA 1 H3 ALA 1 33.071 9.410 -1.717 362 HA ALA 1 HA ALA 1 32.268 7.364 -1.772 363 1HB ALA 1 1HB ALA 1 31.011 9.058 0.078 364 2HB ALA 1 2HB ALA 1 29.764 7.960 -0.512 365 3HB ALA 1 3HB ALA 1 31.244 7.314 0.195 366 H LEU 2 H LEU 2 31.445 6.031 -3.234 367 HA LEU 2 HA LEU 2 28.766 6.421 -4.262 368 1HB LEU 2 1HB LEU 2 29.851 6.027 -6.649 369 2HB LEU 2 2HB LEU 2 29.594 7.635 -5.995 370 HG LEU 2 HG LEU 2 32.215 6.272 -5.528 371 1HD1 LEU 2 1HD1 LEU 2 31.146 7.179 -8.119 372 2HD1 LEU 2 2HD1 LEU 2 32.764 7.748 -7.710 373 3HD1 LEU 2 3HD1 LEU 2 32.423 6.019 -7.757 374 1HD2 LEU 2 1HD2 LEU 2 31.081 8.807 -4.998 375 2HD2 LEU 2 2HD2 LEU 2 32.723 8.251 -4.668 376 3HD2 LEU 2 3HD2 LEU 2 32.348 9.036 -6.203 377 H LYS 3 H LYS 3 29.358 4.425 -2.667 378 HA LYS 3 HA LYS 3 30.526 2.118 -3.688 379 1HB LYS 3 1HB LYS 3 28.099 2.069 -1.907 380 2HB LYS 3 2HB LYS 3 29.441 0.934 -1.951 381 1HG LYS 3 1HG LYS 3 29.410 3.727 -0.852 382 2HG LYS 3 2HG LYS 3 29.718 2.214 0.004 383 1HD LYS 3 1HD LYS 3 31.668 2.107 -1.848 384 2HD LYS 3 2HD LYS 3 31.517 3.856 -1.667 385 1HE LYS 3 1HE LYS 3 32.181 1.811 0.435 386 2HE LYS 3 2HE LYS 3 33.153 3.180 -0.105 387 1HZ LYS 3 1HZ LYS 3 31.081 4.508 0.749 388 2HZ LYS 3 2HZ LYS 3 30.850 3.133 1.705 389 3HZ LYS 3 3HZ LYS 3 32.294 4.011 1.818 390 H LYS 4 H LYS 4 27.201 3.289 -3.981 391 HA LYS 4 HA LYS 4 25.572 2.825 -5.503 392 1HB LYS 4 1HB LYS 4 27.578 1.084 -6.936 393 2HB LYS 4 2HB LYS 4 26.126 1.817 -7.604 394 1HG LYS 4 1HG LYS 4 27.491 3.998 -6.699 395 2HG LYS 4 2HG LYS 4 28.796 2.936 -7.233 396 1HD LYS 4 1HD LYS 4 28.382 3.525 -9.336 397 2HD LYS 4 2HD LYS 4 26.772 2.817 -9.198 398 1HE LYS 4 1HE LYS 4 25.819 4.876 -8.536 399 2HE LYS 4 2HE LYS 4 27.400 5.601 -8.255 400 1HZ LYS 4 1HZ LYS 4 27.215 4.703 -10.926 401 2HZ LYS 4 2HZ LYS 4 25.890 5.696 -10.575 402 3HZ LYS 4 3HZ LYS 4 27.463 6.274 -10.348 403 H HIS 5 H HIS 5 26.367 1.016 -3.181 404 HA HIS 5 HA HIS 5 25.269 -1.535 -4.076 405 1HB HIS 5 1HB HIS 5 26.010 -2.447 -2.012 406 2HB HIS 5 2HB HIS 5 27.295 -1.374 -2.551 407 HD1 HIS 5 HD1 HIS 5 26.054 -2.325 0.458 408 HD2 HIS 5 HD2 HIS 5 26.365 1.434 -1.286 409 HE1 HIS 5 HE1 HIS 5 26.012 -0.691 2.369 410 HE2 HIS 5 HE2 HIS 5 26.201 1.578 1.290 411 H HIS 6 H HIS 6 24.467 1.232 -2.089 412 HA HIS 6 HA HIS 6 22.200 0.151 -0.809 413 1HB HIS 6 1HB HIS 6 23.098 2.959 -1.416 414 2HB HIS 6 2HB HIS 6 21.533 2.654 -0.669 415 HD1 HIS 6 HD1 HIS 6 23.089 0.124 0.920 416 HD2 HIS 6 HD2 HIS 6 23.754 4.223 1.092 417 HE1 HIS 6 HE1 HIS 6 24.237 0.528 3.120 418 HE2 HIS 6 HE2 HIS 6 24.630 3.015 3.204 419 H GLU 7 H GLU 7 22.606 1.880 -3.869 420 HA GLU 7 HA GLU 7 19.885 2.128 -4.510 421 1HB GLU 7 1HB GLU 7 20.640 2.451 -6.816 422 2HB GLU 7 2HB GLU 7 21.645 3.358 -5.695 423 1HG GLU 7 1HG GLU 7 23.359 1.619 -5.828 424 2HG GLU 7 2HG GLU 7 22.351 0.720 -6.962 425 H ASN 8 H ASN 8 22.075 -0.554 -4.624 426 HA ASN 8 HA ASN 8 20.636 -2.173 -6.463 427 1HB ASN 8 1HB ASN 8 23.045 -2.367 -5.000 428 2HB ASN 8 2HB ASN 8 22.064 -3.749 -4.521 429 2HD2 ASN 8 2HD2 ASN 8 24.422 -4.071 -5.880 430 1HD2 ASN 8 1HD2 ASN 8 24.096 -4.661 -7.471 431 H GLU 9 H GLU 9 20.953 -2.457 -2.910 432 HA GLU 9 HA GLU 9 18.759 -4.250 -2.672 433 1HB GLU 9 1HB GLU 9 20.485 -4.185 -0.970 434 2HB GLU 9 2HB GLU 9 20.125 -2.500 -0.619 435 1HG GLU 9 1HG GLU 9 18.264 -2.998 0.584 436 2HG GLU 9 2HG GLU 9 17.919 -4.457 -0.344 437 H ILE 10 H ILE 10 18.910 -0.924 -3.222 438 HA ILE 10 HA ILE 10 16.396 -0.269 -1.948 439 HB ILE 10 HB ILE 10 18.484 1.286 -3.452 440 1HG1 ILE 10 1HG1 ILE 10 17.208 1.829 -0.776 441 2HG1 ILE 10 2HG1 ILE 10 18.613 0.788 -0.976 442 1HG2 ILE 10 1HG2 ILE 10 16.297 2.076 -4.294 443 2HG2 ILE 10 2HG2 ILE 10 15.828 2.448 -2.635 444 3HG2 ILE 10 3HG2 ILE 10 17.181 3.299 -3.382 445 1HD1 ILE 10 1HD1 ILE 10 19.794 2.722 -2.018 446 2HD1 ILE 10 2HD1 ILE 10 18.416 3.726 -1.568 447 3HD1 ILE 10 3HD1 ILE 10 19.377 2.936 -0.318 448 H SER 11 H SER 11 17.633 -1.204 -5.047 449 HA SER 11 HA SER 11 15.368 -0.313 -6.565 450 1HB SER 11 1HB SER 11 17.824 -0.890 -7.351 451 2HB SER 11 2HB SER 11 17.163 -2.517 -7.513 452 HG SER 11 HG SER 11 16.482 -0.168 -8.894 453 H HIS 12 H HIS 12 16.445 -3.331 -5.085 454 HA HIS 12 HA HIS 12 14.281 -4.890 -6.077 455 1HB HIS 12 1HB HIS 12 15.830 -6.404 -5.452 456 2HB HIS 12 2HB HIS 12 16.617 -5.272 -4.367 457 HD1 HIS 12 HD1 HIS 12 14.051 -8.002 -4.435 458 HD2 HIS 12 HD2 HIS 12 15.928 -5.515 -1.689 459 HE1 HIS 12 HE1 HIS 12 13.484 -8.952 -2.175 460 HE2 HIS 12 HE2 HIS 12 14.632 -7.433 -0.525 461 H HIS 13 H HIS 13 14.937 -3.343 -2.909 462 HA HIS 13 HA HIS 13 12.451 -4.061 -1.772 463 1HB HIS 13 1HB HIS 13 14.232 -1.699 -1.133 464 2HB HIS 13 2HB HIS 13 12.879 -2.247 -0.152 465 HD1 HIS 13 HD1 HIS 13 13.635 -5.343 -0.437 466 HD2 HIS 13 HD2 HIS 13 16.122 -2.252 0.784 467 HE1 HIS 13 HE1 HIS 13 15.431 -6.436 0.947 468 HE2 HIS 13 HE2 HIS 13 16.931 -4.545 1.674 469 H ALA 14 H ALA 14 13.451 -1.565 -3.964 470 HA ALA 14 HA ALA 14 11.259 0.196 -3.639 471 1HB ALA 14 1HB ALA 14 13.377 -0.214 -5.681 472 2HB ALA 14 2HB ALA 14 12.929 1.242 -4.792 473 3HB ALA 14 3HB ALA 14 11.948 0.705 -6.156 474 H LYS 15 H LYS 15 11.810 -2.696 -5.535 475 HA LYS 15 HA LYS 15 9.398 -2.470 -7.065 476 1HB LYS 15 1HB LYS 15 11.557 -3.826 -7.597 477 2HB LYS 15 2HB LYS 15 10.840 -5.059 -6.568 478 1HG LYS 15 1HG LYS 15 9.086 -5.445 -8.030 479 2HG LYS 15 2HG LYS 15 9.281 -3.885 -8.832 480 1HD LYS 15 1HD LYS 15 10.171 -5.325 -10.399 481 2HD LYS 15 2HD LYS 15 11.614 -4.842 -9.504 482 1HE LYS 15 1HE LYS 15 10.860 -6.970 -8.047 483 2HE LYS 15 2HE LYS 15 10.233 -7.450 -9.622 484 1HZ LYS 15 1HZ LYS 15 12.938 -6.410 -9.622 485 2HZ LYS 15 2HZ LYS 15 12.737 -7.887 -8.825 486 3HZ LYS 15 3HZ LYS 15 12.286 -7.733 -10.449 487 H GLU 16 H GLU 16 10.275 -3.673 -3.942 488 HA GLU 16 HA GLU 16 8.021 -5.392 -3.586 489 1HB GLU 16 1HB GLU 16 10.290 -4.454 -1.970 490 2HB GLU 16 2HB GLU 16 8.824 -4.765 -1.049 491 1HG GLU 16 1HG GLU 16 9.170 -6.946 -1.133 492 2HG GLU 16 2HG GLU 16 9.282 -6.907 -2.893 493 H ILE 17 H ILE 17 8.750 -2.042 -2.627 494 HA ILE 17 HA ILE 17 6.258 -1.701 -1.241 495 HB ILE 17 HB ILE 17 8.098 -0.332 -0.547 496 1HG1 ILE 17 1HG1 ILE 17 5.935 1.227 -1.970 497 2HG1 ILE 17 2HG1 ILE 17 6.033 0.816 -0.263 498 1HG2 ILE 17 1HG2 ILE 17 8.684 -0.213 -3.288 499 2HG2 ILE 17 2HG2 ILE 17 8.434 1.448 -2.755 500 3HG2 ILE 17 3HG2 ILE 17 9.628 0.432 -1.946 501 1HD1 ILE 17 1HD1 ILE 17 8.218 2.268 -0.380 502 2HD1 ILE 17 2HD1 ILE 17 7.406 2.960 -1.785 503 3HD1 ILE 17 3HD1 ILE 17 6.628 3.012 -0.203 504 H GLU 18 H GLU 18 7.374 -1.332 -4.511 505 HA GLU 18 HA GLU 18 5.187 0.305 -5.380 506 1HB GLU 18 1HB GLU 18 7.611 -0.771 -6.520 507 2HB GLU 18 2HB GLU 18 6.256 -1.043 -7.606 508 1HG GLU 18 1HG GLU 18 5.998 1.597 -6.716 509 2HG GLU 18 2HG GLU 18 7.710 1.368 -7.071 510 H ARG 19 H ARG 19 5.899 -3.139 -5.301 511 HA ARG 19 HA ARG 19 3.640 -3.906 -6.874 512 1HB ARG 19 1HB ARG 19 5.550 -5.381 -6.743 513 2HB ARG 19 2HB ARG 19 5.408 -5.477 -4.994 514 1HG ARG 19 1HG ARG 19 3.201 -6.572 -5.286 515 2HG ARG 19 2HG ARG 19 3.484 -6.580 -7.028 516 1HD ARG 19 1HD ARG 19 4.651 -8.458 -6.838 517 2HD ARG 19 2HD ARG 19 5.784 -7.653 -5.752 518 HE ARG 19 HE ARG 19 3.623 -8.310 -4.193 519 1HH1 ARG 19 1HH1 ARG 19 5.879 -10.035 -6.207 520 2HH1 ARG 19 2HH1 ARG 19 5.803 -11.491 -5.272 521 1HH2 ARG 19 1HH2 ARG 19 3.514 -10.222 -2.952 522 2HH2 ARG 19 2HH2 ARG 19 4.457 -11.597 -3.420 523 H LEU 20 H LEU 20 4.325 -3.737 -3.403 524 HA LEU 20 HA LEU 20 1.825 -4.798 -2.587 525 1HB LEU 20 1HB LEU 20 4.218 -3.993 -1.354 526 2HB LEU 20 2HB LEU 20 2.970 -2.976 -0.662 527 HG LEU 20 HG LEU 20 1.779 -4.842 0.195 528 1HD1 LEU 20 1HD1 LEU 20 3.207 -6.281 -1.899 529 2HD1 LEU 20 2HD1 LEU 20 3.162 -7.143 -0.361 530 3HD1 LEU 20 3HD1 LEU 20 1.659 -6.633 -1.132 531 1HD2 LEU 20 1HD2 LEU 20 3.892 -4.156 1.369 532 2HD2 LEU 20 2HD2 LEU 20 3.341 -5.796 1.708 533 3HD2 LEU 20 3HD2 LEU 20 4.682 -5.528 0.595 534 H GLN 21 H GLN 21 3.003 -1.602 -3.378 535 HA GLN 21 HA GLN 21 0.862 -0.110 -2.301 536 1HB GLN 21 1HB GLN 21 2.919 0.993 -2.920 537 2HB GLN 21 2HB GLN 21 2.746 0.478 -4.592 538 1HG GLN 21 1HG GLN 21 0.482 2.025 -3.576 539 2HG GLN 21 2HG GLN 21 2.010 2.904 -3.607 540 2HE2 GLN 21 2HE2 GLN 21 3.255 2.055 -5.791 541 1HE2 GLN 21 1HE2 GLN 21 2.331 2.380 -7.214 542 H LYS 22 H LYS 22 1.402 -1.594 -5.467 543 HA LYS 22 HA LYS 22 -0.867 -0.572 -6.764 544 1HB LYS 22 1HB LYS 22 0.916 -1.665 -8.000 545 2HB LYS 22 2HB LYS 22 0.598 -3.185 -7.176 546 1HG LYS 22 1HG LYS 22 -1.833 -2.687 -8.239 547 2HG LYS 22 2HG LYS 22 -0.786 -1.937 -9.446 548 1HD LYS 22 1HD LYS 22 -0.594 -3.996 -10.304 549 2HD LYS 22 2HD LYS 22 0.490 -4.313 -8.948 550 1HE LYS 22 1HE LYS 22 -0.920 -5.824 -8.139 551 2HE LYS 22 2HE LYS 22 -2.208 -4.622 -8.071 552 1HZ LYS 22 1HZ LYS 22 -1.498 -6.232 -10.465 553 2HZ LYS 22 2HZ LYS 22 -2.804 -6.541 -9.437 554 3HZ LYS 22 3HZ LYS 22 -2.769 -5.120 -10.353 555 H GLU 23 H GLU 23 -0.393 -3.558 -4.903 556 HA GLU 23 HA GLU 23 -2.927 -4.665 -5.251 557 1HB GLU 23 1HB GLU 23 -0.670 -5.374 -3.880 558 2HB GLU 23 2HB GLU 23 -1.778 -5.007 -2.564 559 1HG GLU 23 1HG GLU 23 -2.230 -7.213 -2.849 560 2HG GLU 23 2HG GLU 23 -3.411 -6.521 -3.961 561 H ILE 24 H ILE 24 -1.771 -2.374 -2.801 562 HA ILE 24 HA ILE 24 -4.258 -2.245 -1.426 563 HB ILE 24 HB ILE 24 -3.277 -0.859 0.059 564 1HG1 ILE 24 1HG1 ILE 24 -1.439 0.882 -0.819 565 2HG1 ILE 24 2HG1 ILE 24 -2.359 0.690 -2.309 566 1HG2 ILE 24 1HG2 ILE 24 -1.499 -2.627 -0.873 567 2HG2 ILE 24 2HG2 ILE 24 -0.599 -1.132 -1.123 568 3HG2 ILE 24 3HG2 ILE 24 -1.187 -1.548 0.485 569 1HD1 ILE 24 1HD1 ILE 24 -4.144 1.043 -0.099 570 2HD1 ILE 24 2HD1 ILE 24 -2.946 2.339 -0.129 571 3HD1 ILE 24 3HD1 ILE 24 -3.946 2.028 -1.549 572 H GLU 25 H GLU 25 -3.022 -0.774 -4.284 573 HA GLU 25 HA GLU 25 -4.808 1.452 -4.362 574 1HB GLU 25 1HB GLU 25 -2.555 1.048 -5.635 575 2HB GLU 25 2HB GLU 25 -3.582 0.251 -6.818 576 1HG GLU 25 1HG GLU 25 -4.830 2.689 -6.244 577 2HG GLU 25 2HG GLU 25 -3.111 3.046 -6.402 578 H ARG 26 H ARG 26 -4.989 -1.889 -5.243 579 HA ARG 26 HA ARG 26 -7.246 -1.600 -6.998 580 1HB ARG 26 1HB ARG 26 -5.425 -3.532 -6.777 581 2HB ARG 26 2HB ARG 26 -6.628 -4.202 -5.681 582 1HG ARG 26 1HG ARG 26 -8.287 -3.814 -7.610 583 2HG ARG 26 2HG ARG 26 -6.844 -3.672 -8.617 584 1HD ARG 26 1HD ARG 26 -6.333 -5.934 -7.154 585 2HD ARG 26 2HD ARG 26 -8.075 -6.034 -7.415 586 HE ARG 26 HE ARG 26 -6.928 -5.410 -9.862 587 1HH1 ARG 26 1HH1 ARG 26 -6.831 -8.016 -7.554 588 2HH1 ARG 26 2HH1 ARG 26 -6.512 -9.233 -8.745 589 1HH2 ARG 26 1HH2 ARG 26 -6.509 -7.003 -11.439 590 2HH2 ARG 26 2HH2 ARG 26 -6.328 -8.656 -10.955 591 H HIS 27 H HIS 27 -6.735 -2.689 -3.656 592 HA HIS 27 HA HIS 27 -9.509 -3.165 -3.169 593 1HB HIS 27 1HB HIS 27 -7.014 -3.435 -1.716 594 2HB HIS 27 2HB HIS 27 -8.275 -2.755 -0.692 595 HD1 HIS 27 HD1 HIS 27 -10.668 -4.239 -0.979 596 HD2 HIS 27 HD2 HIS 27 -7.027 -6.128 -1.642 597 HE1 HIS 27 HE1 HIS 27 -11.133 -6.698 -0.734 598 HE2 HIS 27 HE2 HIS 27 -8.914 -7.823 -1.140 599 H LYS 28 H LYS 28 -7.451 -0.382 -2.997 600 HA LYS 28 HA LYS 28 -9.248 1.127 -1.322 601 1HB LYS 28 1HB LYS 28 -7.716 2.909 -1.478 602 2HB LYS 28 2HB LYS 28 -6.724 1.459 -1.440 603 1HG LYS 28 1HG LYS 28 -5.705 2.639 -3.107 604 2HG LYS 28 2HG LYS 28 -6.848 1.676 -4.042 605 1HD LYS 28 1HD LYS 28 -8.342 3.874 -3.418 606 2HD LYS 28 2HD LYS 28 -6.732 4.570 -3.611 607 1HE LYS 28 1HE LYS 28 -7.534 2.632 -5.677 608 2HE LYS 28 2HE LYS 28 -8.459 4.132 -5.647 609 1HZ LYS 28 1HZ LYS 28 -5.550 4.339 -5.496 610 2HZ LYS 28 2HZ LYS 28 -6.218 3.904 -6.988 611 3HZ LYS 28 3HZ LYS 28 -6.668 5.359 -6.253 612 H GLN 29 H GLN 29 -8.684 0.631 -4.716 613 HA GLN 29 HA GLN 29 -10.159 2.883 -5.646 614 1HB GLN 29 1HB GLN 29 -8.573 1.851 -7.128 615 2HB GLN 29 2HB GLN 29 -9.364 0.289 -6.976 616 1HG GLN 29 1HG GLN 29 -11.275 1.070 -8.189 617 2HG GLN 29 2HG GLN 29 -10.646 2.716 -8.206 618 2HE2 GLN 29 2HE2 GLN 29 -9.123 3.289 -9.688 619 1HE2 GLN 29 1HE2 GLN 29 -8.594 2.254 -10.966 620 H SER 30 H SER 30 -10.952 -0.489 -4.958 621 HA SER 30 HA SER 30 -13.620 -0.344 -5.949 622 1HB SER 30 1HB SER 30 -13.774 -2.414 -4.252 623 2HB SER 30 2HB SER 30 -12.991 -2.544 -5.827 624 HG SER 30 HG SER 30 -11.597 -3.358 -4.292 625 H ILE 31 H ILE 31 -12.177 -0.062 -2.723 626 HA ILE 31 HA ILE 31 -14.650 0.279 -1.362 627 HB ILE 31 HB ILE 31 -12.486 -0.471 -0.342 628 1HG1 ILE 31 1HG1 ILE 31 -14.643 0.824 0.765 629 2HG1 ILE 31 2HG1 ILE 31 -13.400 -0.030 1.664 630 1HG2 ILE 31 1HG2 ILE 31 -11.162 1.382 -1.423 631 2HG2 ILE 31 2HG2 ILE 31 -11.780 2.440 -0.156 632 3HG2 ILE 31 3HG2 ILE 31 -10.794 1.041 0.268 633 1HD1 ILE 31 1HD1 ILE 31 -13.400 2.924 1.084 634 2HD1 ILE 31 2HD1 ILE 31 -13.900 2.171 2.600 635 3HD1 ILE 31 3HD1 ILE 31 -12.224 2.045 2.063 636 H LYS 32 H LYS 32 -12.589 2.406 -3.145 637 HA LYS 32 HA LYS 32 -13.577 4.834 -1.956 638 1HB LYS 32 1HB LYS 32 -11.653 4.103 -4.064 639 2HB LYS 32 2HB LYS 32 -12.508 5.612 -4.343 640 1HG LYS 32 1HG LYS 32 -10.354 5.905 -3.177 641 2HG LYS 32 2HG LYS 32 -11.734 6.507 -2.257 642 1HD LYS 32 1HD LYS 32 -11.557 3.917 -1.399 643 2HD LYS 32 2HD LYS 32 -9.862 4.341 -1.646 644 1HE LYS 32 1HE LYS 32 -10.886 6.557 -0.375 645 2HE LYS 32 2HE LYS 32 -11.735 5.224 0.405 646 1HZ LYS 32 1HZ LYS 32 -8.787 5.436 0.119 647 2HZ LYS 32 2HZ LYS 32 -9.656 5.780 1.528 648 3HZ LYS 32 3HZ LYS 32 -9.623 4.203 0.919 649 H LYS 33 H LYS 33 -14.350 2.836 -4.724 650 HA LYS 33 HA LYS 33 -16.082 4.711 -5.989 651 1HB LYS 33 1HB LYS 33 -15.660 1.745 -6.258 652 2HB LYS 33 2HB LYS 33 -16.943 2.566 -7.138 653 1HG LYS 33 1HG LYS 33 -14.582 4.052 -7.548 654 2HG LYS 33 2HG LYS 33 -14.176 2.350 -7.779 655 1HD LYS 33 1HD LYS 33 -16.201 2.193 -9.277 656 2HD LYS 33 2HD LYS 33 -16.304 3.953 -9.187 657 1HE LYS 33 1HE LYS 33 -14.094 2.273 -10.346 658 2HE LYS 33 2HE LYS 33 -15.116 3.448 -11.173 659 1HZ LYS 33 1HZ LYS 33 -13.932 4.887 -9.187 660 2HZ LYS 33 2HZ LYS 33 -12.693 3.858 -9.705 661 3HZ LYS 33 3HZ LYS 33 -13.466 4.876 -10.812 662 H LEU 34 H LEU 34 -16.521 2.110 -3.657 663 HA LEU 34 HA LEU 34 -19.363 2.167 -3.680 664 1HB LEU 34 1HB LEU 34 -17.249 0.850 -2.133 665 2HB LEU 34 2HB LEU 34 -18.698 1.190 -1.208 666 HG LEU 34 HG LEU 34 -19.041 -0.122 -3.855 667 1HD1 LEU 34 1HD1 LEU 34 -17.707 -1.358 -1.490 668 2HD1 LEU 34 2HD1 LEU 34 -18.781 -2.330 -2.497 669 3HD1 LEU 34 3HD1 LEU 34 -17.363 -1.558 -3.209 670 1HD2 LEU 34 1HD2 LEU 34 -20.368 -0.297 -1.158 671 2HD2 LEU 34 2HD2 LEU 34 -21.016 0.410 -2.639 672 3HD2 LEU 34 3HD2 LEU 34 -20.783 -1.335 -2.521 673 H LYS 35 H LYS 35 -16.896 3.720 -1.671 674 HA LYS 35 HA LYS 35 -18.792 4.938 0.092 675 1HB LYS 35 1HB LYS 35 -16.932 6.048 1.084 676 2HB LYS 35 2HB LYS 35 -16.392 4.428 0.664 677 1HG LYS 35 1HG LYS 35 -14.692 5.315 -0.432 678 2HG LYS 35 2HG LYS 35 -15.832 6.054 -1.560 679 1HD LYS 35 1HD LYS 35 -15.956 8.042 -0.235 680 2HD LYS 35 2HD LYS 35 -15.032 7.294 1.069 681 1HE LYS 35 1HE LYS 35 -13.257 8.286 0.135 682 2HE LYS 35 2HE LYS 35 -13.354 7.002 -1.071 683 1HZ LYS 35 1HZ LYS 35 -15.048 9.316 -1.536 684 2HZ LYS 35 2HZ LYS 35 -13.384 9.586 -1.677 685 3HZ LYS 35 3HZ LYS 35 -14.133 8.406 -2.628 686 H GLN 36 H GLN 36 -17.425 5.745 -2.977 687 HA GLN 36 HA GLN 36 -18.031 8.554 -2.826 688 1HB GLN 36 1HB GLN 36 -16.187 7.599 -4.228 689 2HB GLN 36 2HB GLN 36 -17.412 6.893 -5.273 690 1HG GLN 36 1HG GLN 36 -18.292 9.286 -5.530 691 2HG GLN 36 2HG GLN 36 -16.739 9.779 -4.857 692 2HE2 GLN 36 2HE2 GLN 36 -14.948 8.178 -5.963 693 1HE2 GLN 36 1HE2 GLN 36 -14.945 8.314 -7.686 694 H SER 37 H SER 37 -19.653 5.657 -3.836 695 HA SER 37 HA SER 37 -21.658 6.943 -5.418 696 1HB SER 37 1HB SER 37 -20.846 4.369 -5.184 697 2HB SER 37 2HB SER 37 -22.294 4.330 -4.179 698 HG SER 37 HG SER 37 -22.175 5.292 -6.849 699 H GLU 38 H GLU 38 -21.230 6.275 -2.043 700 HA GLU 38 HA GLU 38 -23.967 6.527 -1.284 701 1HB GLU 38 1HB GLU 38 -22.084 5.420 0.041 702 2HB GLU 38 2HB GLU 38 -21.592 7.046 0.498 703 1HG GLU 38 1HG GLU 38 -24.209 7.140 1.131 704 2HG GLU 38 2HG GLU 38 -23.876 5.430 1.401 705 H ASP 39 H ASP 39 -21.420 8.764 -1.963 706 HA ASP 39 HA ASP 39 -23.240 10.977 -1.339 707 1HB ASP 39 1HB ASP 39 -21.393 12.288 -0.391 708 2HB ASP 39 2HB ASP 39 -21.663 10.815 0.534 709 H ASP 40 H ASP 40 -22.471 9.634 -3.825 710 HA ASP 40 HA ASP 40 -21.833 10.114 -5.959 711 1HB ASP 40 1HB ASP 40 -23.341 12.232 -5.027 712 2HB ASP 40 2HB ASP 40 -21.911 13.026 -5.679 713 H ASP 41 H ASP 41 -20.362 11.863 -7.252 714 HA ASP 41 HA ASP 41 -17.735 11.286 -6.607 715 1HB ASP 41 1HB ASP 41 -18.878 12.365 -8.755 716 2HB ASP 41 2HB ASP 41 -18.288 13.852 -8.019 No H/Q in entry = 716 Start of MODEL 24 1 H1 ALA 1 H1 ALA 1 -34.509 -9.663 -1.885 2 H2 ALA 1 H2 ALA 1 -34.793 -8.468 -3.085 3 H3 ALA 1 H3 ALA 1 -34.006 -9.935 -3.502 4 HA ALA 1 HA ALA 1 -32.351 -8.366 -3.387 5 1HB ALA 1 1HB ALA 1 -32.304 -7.247 -0.889 6 2HB ALA 1 2HB ALA 1 -34.028 -7.287 -1.257 7 3HB ALA 1 3HB ALA 1 -32.911 -6.468 -2.350 8 H LEU 2 H LEU 2 -30.350 -8.425 -2.031 9 HA LEU 2 HA LEU 2 -30.064 -10.166 0.155 10 1HB LEU 2 1HB LEU 2 -30.628 -11.883 -1.514 11 2HB LEU 2 2HB LEU 2 -29.285 -11.354 -2.509 12 HG LEU 2 HG LEU 2 -28.349 -11.993 0.138 13 1HD1 LEU 2 1HD1 LEU 2 -30.469 -13.454 -0.089 14 2HD1 LEU 2 2HD1 LEU 2 -29.514 -14.371 -1.254 15 3HD1 LEU 2 3HD1 LEU 2 -28.958 -14.210 0.412 16 1HD2 LEU 2 1HD2 LEU 2 -27.749 -12.595 -2.680 17 2HD2 LEU 2 2HD2 LEU 2 -26.670 -12.166 -1.352 18 3HD2 LEU 2 3HD2 LEU 2 -27.250 -13.823 -1.516 19 H LYS 3 H LYS 3 -29.147 -7.609 -0.679 20 HA LYS 3 HA LYS 3 -26.280 -8.005 -1.131 21 1HB LYS 3 1HB LYS 3 -28.188 -5.941 -1.828 22 2HB LYS 3 2HB LYS 3 -26.798 -5.259 -0.992 23 1HG LYS 3 1HG LYS 3 -26.073 -5.165 -3.153 24 2HG LYS 3 2HG LYS 3 -25.451 -6.748 -2.681 25 1HD LYS 3 1HD LYS 3 -28.194 -6.710 -3.768 26 2HD LYS 3 2HD LYS 3 -26.906 -6.313 -4.908 27 1HE LYS 3 1HE LYS 3 -26.386 -8.640 -3.189 28 2HE LYS 3 2HE LYS 3 -27.721 -8.833 -4.323 29 1HZ LYS 3 1HZ LYS 3 -24.995 -7.947 -5.093 30 2HZ LYS 3 2HZ LYS 3 -25.547 -9.542 -5.216 31 3HZ LYS 3 3HZ LYS 3 -26.272 -8.321 -6.136 32 H LYS 4 H LYS 4 -25.826 -8.796 0.977 33 HA LYS 4 HA LYS 4 -25.787 -6.677 3.023 34 1HB LYS 4 1HB LYS 4 -27.277 -8.938 3.237 35 2HB LYS 4 2HB LYS 4 -25.774 -9.469 3.981 36 1HG LYS 4 1HG LYS 4 -26.004 -7.210 5.300 37 2HG LYS 4 2HG LYS 4 -27.707 -7.394 4.874 38 1HD LYS 4 1HD LYS 4 -27.806 -8.628 6.752 39 2HD LYS 4 2HD LYS 4 -27.109 -9.896 5.742 40 1HE LYS 4 1HE LYS 4 -24.875 -8.576 6.511 41 2HE LYS 4 2HE LYS 4 -25.903 -8.329 7.922 42 1HZ LYS 4 1HZ LYS 4 -26.026 -11.022 7.026 43 2HZ LYS 4 2HZ LYS 4 -24.424 -10.570 7.329 44 3HZ LYS 4 3HZ LYS 4 -25.591 -10.419 8.546 45 H HIS 5 H HIS 5 -24.187 -9.515 1.674 46 HA HIS 5 HA HIS 5 -21.944 -9.575 3.338 47 1HB HIS 5 1HB HIS 5 -20.859 -10.837 1.538 48 2HB HIS 5 2HB HIS 5 -22.512 -11.388 1.785 49 HD1 HIS 5 HD1 HIS 5 -20.765 -11.630 -0.895 50 HD2 HIS 5 HD2 HIS 5 -23.817 -8.913 -0.141 51 HE1 HIS 5 HE1 HIS 5 -21.618 -10.933 -3.156 52 HE2 HIS 5 HE2 HIS 5 -23.467 -9.290 -2.676 53 H HIS 6 H HIS 6 -22.778 -7.448 0.723 54 HA HIS 6 HA HIS 6 -20.192 -6.533 0.077 55 1HB HIS 6 1HB HIS 6 -21.241 -4.812 -1.151 56 2HB HIS 6 2HB HIS 6 -22.349 -6.175 -1.239 57 HD1 HIS 6 HD1 HIS 6 -24.698 -5.769 -0.477 58 HD2 HIS 6 HD2 HIS 6 -22.100 -2.753 0.714 59 HE1 HIS 6 HE1 HIS 6 -26.157 -3.970 0.503 60 HE2 HIS 6 HE2 HIS 6 -24.564 -2.160 1.226 61 H GLU 7 H GLU 7 -22.465 -5.623 2.586 62 HA GLU 7 HA GLU 7 -21.288 -3.211 3.392 63 1HB GLU 7 1HB GLU 7 -23.490 -3.868 4.171 64 2HB GLU 7 2HB GLU 7 -22.815 -5.263 5.003 65 1HG GLU 7 1HG GLU 7 -21.432 -3.524 6.313 66 2HG GLU 7 2HG GLU 7 -22.618 -2.367 5.713 67 H ASN 8 H ASN 8 -20.593 -6.557 4.260 68 HA ASN 8 HA ASN 8 -18.729 -5.971 6.317 69 1HB ASN 8 1HB ASN 8 -18.900 -8.441 4.572 70 2HB ASN 8 2HB ASN 8 -18.041 -8.314 6.103 71 2HD2 ASN 8 2HD2 ASN 8 -19.451 -10.200 6.542 72 1HD2 ASN 8 1HD2 ASN 8 -21.020 -9.896 7.200 73 H GLU 9 H GLU 9 -18.262 -6.985 2.935 74 HA GLU 9 HA GLU 9 -15.476 -6.670 2.885 75 1HB GLU 9 1HB GLU 9 -17.136 -7.734 1.152 76 2HB GLU 9 2HB GLU 9 -17.146 -6.117 0.460 77 1HG GLU 9 1HG GLU 9 -15.336 -6.685 -0.674 78 2HG GLU 9 2HG GLU 9 -14.458 -6.698 0.855 79 H ILE 10 H ILE 10 -18.000 -4.360 2.978 80 HA ILE 10 HA ILE 10 -16.660 -2.218 1.681 81 HB ILE 10 HB ILE 10 -19.236 -2.709 2.673 82 1HG1 ILE 10 1HG1 ILE 10 -18.868 0.015 1.758 83 2HG1 ILE 10 2HG1 ILE 10 -17.987 -1.140 0.761 84 1HG2 ILE 10 1HG2 ILE 10 -18.677 -1.717 4.827 85 2HG2 ILE 10 2HG2 ILE 10 -18.152 -0.242 4.018 86 3HG2 ILE 10 3HG2 ILE 10 -19.844 -0.731 3.948 87 1HD1 ILE 10 1HD1 ILE 10 -20.178 -2.455 0.691 88 2HD1 ILE 10 2HD1 ILE 10 -20.926 -0.972 1.285 89 3HD1 ILE 10 3HD1 ILE 10 -20.070 -0.970 -0.256 90 H SER 11 H SER 11 -17.238 -2.989 5.118 91 HA SER 11 HA SER 11 -15.723 -0.854 6.155 92 1HB SER 11 1HB SER 11 -16.263 -3.539 7.444 93 2HB SER 11 2HB SER 11 -15.800 -2.054 8.275 94 HG SER 11 HG SER 11 -18.231 -2.873 7.680 95 H HIS 12 H HIS 12 -14.833 -4.003 4.969 96 HA HIS 12 HA HIS 12 -12.233 -4.034 6.136 97 1HB HIS 12 1HB HIS 12 -12.612 -6.191 5.607 98 2HB HIS 12 2HB HIS 12 -13.856 -5.766 4.446 99 HD1 HIS 12 HD1 HIS 12 -10.205 -6.564 4.704 100 HD2 HIS 12 HD2 HIS 12 -13.039 -5.730 1.785 101 HE1 HIS 12 HE1 HIS 12 -9.107 -7.149 2.517 102 HE2 HIS 12 HE2 HIS 12 -10.841 -6.638 0.761 103 H HIS 13 H HIS 13 -13.510 -3.103 2.949 104 HA HIS 13 HA HIS 13 -11.030 -2.581 1.737 105 1HB HIS 13 1HB HIS 13 -13.676 -1.217 1.225 106 2HB HIS 13 2HB HIS 13 -12.278 -1.171 0.162 107 HD1 HIS 13 HD1 HIS 13 -11.740 -4.350 0.569 108 HD2 HIS 13 HD2 HIS 13 -15.224 -2.467 -0.666 109 HE1 HIS 13 HE1 HIS 13 -13.008 -6.086 -0.740 110 HE2 HIS 13 HE2 HIS 13 -15.121 -4.926 -1.480 111 H ALA 14 H ALA 14 -13.036 -0.697 3.905 112 HA ALA 14 HA ALA 14 -11.774 1.803 3.509 113 1HB ALA 14 1HB ALA 14 -13.319 0.684 5.844 114 2HB ALA 14 2HB ALA 14 -12.732 2.345 5.774 115 3HB ALA 14 3HB ALA 14 -13.900 1.772 4.584 116 H LYS 15 H LYS 15 -11.370 -0.604 6.111 117 HA LYS 15 HA LYS 15 -9.119 0.658 7.261 118 1HB LYS 15 1HB LYS 15 -10.558 -1.878 7.582 119 2HB LYS 15 2HB LYS 15 -8.834 -2.004 7.907 120 1HG LYS 15 1HG LYS 15 -9.426 0.236 9.288 121 2HG LYS 15 2HG LYS 15 -10.953 -0.639 9.419 122 1HD LYS 15 1HD LYS 15 -8.812 -2.469 9.858 123 2HD LYS 15 2HD LYS 15 -8.556 -1.050 10.876 124 1HE LYS 15 1HE LYS 15 -11.316 -2.058 10.806 125 2HE LYS 15 2HE LYS 15 -10.142 -3.153 11.532 126 1HZ LYS 15 1HZ LYS 15 -9.801 -0.470 12.440 127 2HZ LYS 15 2HZ LYS 15 -11.362 -1.036 12.759 128 3HZ LYS 15 3HZ LYS 15 -10.018 -1.887 13.336 129 H GLU 16 H GLU 16 -9.511 -1.136 4.391 130 HA GLU 16 HA GLU 16 -6.810 -2.127 4.270 131 1HB GLU 16 1HB GLU 16 -8.953 -3.136 3.187 132 2HB GLU 16 2HB GLU 16 -8.662 -1.959 1.914 133 1HG GLU 16 1HG GLU 16 -7.742 -4.249 1.502 134 2HG GLU 16 2HG GLU 16 -6.581 -2.930 1.361 135 H ILE 17 H ILE 17 -8.628 0.641 3.038 136 HA ILE 17 HA ILE 17 -6.535 1.475 1.260 137 HB ILE 17 HB ILE 17 -7.852 3.312 0.711 138 1HG1 ILE 17 1HG1 ILE 17 -9.920 3.800 2.355 139 2HG1 ILE 17 2HG1 ILE 17 -8.776 3.179 3.541 140 1HG2 ILE 17 1HG2 ILE 17 -9.030 0.821 0.866 141 2HG2 ILE 17 2HG2 ILE 17 -10.255 1.916 1.506 142 3HG2 ILE 17 3HG2 ILE 17 -9.581 2.189 -0.100 143 1HD1 ILE 17 1HD1 ILE 17 -7.296 4.982 2.054 144 2HD1 ILE 17 2HD1 ILE 17 -8.873 5.750 2.237 145 3HD1 ILE 17 3HD1 ILE 17 -7.972 5.238 3.663 146 H GLU 18 H GLU 18 -7.463 2.192 4.573 147 HA GLU 18 HA GLU 18 -5.562 4.322 4.885 148 1HB GLU 18 1HB GLU 18 -7.565 2.961 6.556 149 2HB GLU 18 2HB GLU 18 -6.141 3.503 7.433 150 1HG GLU 18 1HG GLU 18 -6.572 5.748 6.180 151 2HG GLU 18 2HG GLU 18 -8.202 5.101 5.994 152 H ARG 19 H ARG 19 -5.703 0.888 5.708 153 HA ARG 19 HA ARG 19 -3.195 0.844 7.058 154 1HB ARG 19 1HB ARG 19 -4.910 -1.339 5.872 155 2HB ARG 19 2HB ARG 19 -3.403 -1.661 6.719 156 1HG ARG 19 1HG ARG 19 -5.303 0.034 8.178 157 2HG ARG 19 2HG ARG 19 -5.842 -1.620 7.883 158 1HD ARG 19 1HD ARG 19 -4.718 -1.948 9.836 159 2HD ARG 19 2HD ARG 19 -3.386 -2.172 8.703 160 HE ARG 19 HE ARG 19 -3.641 0.548 9.512 161 1HH1 ARG 19 1HH1 ARG 19 -2.447 -2.566 10.516 162 2HH1 ARG 19 2HH1 ARG 19 -1.239 -1.907 11.568 163 1HH2 ARG 19 1HH2 ARG 19 -2.055 1.425 10.893 164 2HH2 ARG 19 2HH2 ARG 19 -1.016 0.363 11.783 165 H LEU 20 H LEU 20 -4.193 0.644 3.747 166 HA LEU 20 HA LEU 20 -1.817 -0.560 2.736 167 1HB LEU 20 1HB LEU 20 -4.236 0.696 1.622 168 2HB LEU 20 2HB LEU 20 -2.802 0.872 0.634 169 HG LEU 20 HG LEU 20 -4.334 -1.124 0.163 170 1HD1 LEU 20 1HD1 LEU 20 -1.979 -0.784 -0.651 171 2HD1 LEU 20 2HD1 LEU 20 -1.450 -1.792 0.697 172 3HD1 LEU 20 3HD1 LEU 20 -2.512 -2.461 -0.542 173 1HD2 LEU 20 1HD2 LEU 20 -3.870 -1.602 2.881 174 2HD2 LEU 20 2HD2 LEU 20 -4.689 -2.657 1.730 175 3HD2 LEU 20 3HD2 LEU 20 -2.959 -2.840 2.015 176 H GLN 21 H GLN 21 -2.965 2.770 3.097 177 HA GLN 21 HA GLN 21 -0.819 4.059 1.842 178 1HB GLN 21 1HB GLN 21 -3.027 5.069 2.611 179 2HB GLN 21 2HB GLN 21 -2.318 5.155 4.218 180 1HG GLN 21 1HG GLN 21 -0.402 6.429 3.021 181 2HG GLN 21 2HG GLN 21 -1.600 6.670 1.751 182 2HE2 GLN 21 2HE2 GLN 21 -3.491 7.851 2.231 183 1HE2 GLN 21 1HE2 GLN 21 -3.539 8.961 3.553 184 H LYS 22 H LYS 22 -1.306 3.254 5.282 185 HA LYS 22 HA LYS 22 1.155 4.302 6.169 186 1HB LYS 22 1HB LYS 22 -0.983 3.436 7.474 187 2HB LYS 22 2HB LYS 22 -0.054 1.946 7.547 188 1HG LYS 22 1HG LYS 22 1.670 4.081 8.263 189 2HG LYS 22 2HG LYS 22 0.168 4.264 9.168 190 1HD LYS 22 1HD LYS 22 1.960 2.879 10.277 191 2HD LYS 22 2HD LYS 22 0.379 2.114 10.136 192 1HE LYS 22 1HE LYS 22 1.095 0.663 8.466 193 2HE LYS 22 2HE LYS 22 2.477 1.673 8.046 194 1HZ LYS 22 1HZ LYS 22 2.236 0.272 10.645 195 2HZ LYS 22 2HZ LYS 22 3.003 -0.410 9.302 196 3HZ LYS 22 3HZ LYS 22 3.611 1.011 9.992 197 H GLU 23 H GLU 23 0.240 1.195 4.836 198 HA GLU 23 HA GLU 23 2.587 -0.220 5.502 199 1HB GLU 23 1HB GLU 23 0.549 -1.358 4.791 200 2HB GLU 23 2HB GLU 23 0.669 -0.620 3.200 201 1HG GLU 23 1HG GLU 23 2.875 -1.798 2.943 202 2HG GLU 23 2HG GLU 23 2.484 -2.681 4.417 203 H ILE 24 H ILE 24 1.765 1.902 2.822 204 HA ILE 24 HA ILE 24 4.027 1.255 1.233 205 HB ILE 24 HB ILE 24 3.319 2.803 -0.278 206 1HG1 ILE 24 1HG1 ILE 24 2.032 4.942 0.463 207 2HG1 ILE 24 2HG1 ILE 24 2.695 4.592 2.056 208 1HG2 ILE 24 1HG2 ILE 24 1.339 1.413 0.689 209 2HG2 ILE 24 2HG2 ILE 24 0.755 2.990 1.220 210 3HG2 ILE 24 3HG2 ILE 24 1.045 2.688 -0.492 211 1HD1 ILE 24 1HD1 ILE 24 4.798 4.412 0.156 212 2HD1 ILE 24 2HD1 ILE 24 3.924 5.922 -0.109 213 3HD1 ILE 24 3HD1 ILE 24 4.596 5.560 1.482 214 H GLU 25 H GLU 25 3.381 3.740 3.656 215 HA GLU 25 HA GLU 25 5.779 5.171 3.411 216 1HB GLU 25 1HB GLU 25 3.634 5.691 4.790 217 2HB GLU 25 2HB GLU 25 4.421 4.763 6.059 218 1HG GLU 25 1HG GLU 25 5.864 6.403 6.536 219 2HG GLU 25 2HG GLU 25 6.119 6.808 4.838 220 H ARG 26 H ARG 26 4.934 2.323 5.323 221 HA ARG 26 HA ARG 26 7.317 2.107 6.784 222 1HB ARG 26 1HB ARG 26 5.080 0.304 6.070 223 2HB ARG 26 2HB ARG 26 6.587 -0.485 6.517 224 1HG ARG 26 1HG ARG 26 5.019 1.472 8.182 225 2HG ARG 26 2HG ARG 26 5.179 -0.264 8.454 226 1HD ARG 26 1HD ARG 26 6.978 0.126 9.692 227 2HD ARG 26 2HD ARG 26 7.791 0.769 8.266 228 HE ARG 26 HE ARG 26 6.079 2.673 9.567 229 1HH1 ARG 26 1HH1 ARG 26 9.257 1.251 9.520 230 2HH1 ARG 26 2HH1 ARG 26 10.018 2.609 10.277 231 1HH2 ARG 26 1HH2 ARG 26 7.071 4.468 10.567 232 2HH2 ARG 26 2HH2 ARG 26 8.776 4.439 10.874 233 H HIS 27 H HIS 27 6.413 0.976 3.568 234 HA HIS 27 HA HIS 27 8.742 -0.566 3.099 235 1HB HIS 27 1HB HIS 27 6.405 0.275 1.612 236 2HB HIS 27 2HB HIS 27 7.853 0.404 0.620 237 HD1 HIS 27 HD1 HIS 27 9.420 -1.965 0.948 238 HD2 HIS 27 HD2 HIS 27 5.288 -2.158 1.344 239 HE1 HIS 27 HE1 HIS 27 8.823 -4.381 0.589 240 HE2 HIS 27 HE2 HIS 27 6.317 -4.476 0.833 241 H LYS 28 H LYS 28 7.997 2.818 2.909 242 HA LYS 28 HA LYS 28 10.228 3.571 1.302 243 1HB LYS 28 1HB LYS 28 8.449 5.167 3.147 244 2HB LYS 28 2HB LYS 28 9.692 5.879 2.127 245 1HG LYS 28 1HG LYS 28 8.550 5.086 0.138 246 2HG LYS 28 2HG LYS 28 7.326 4.299 1.138 247 1HD LYS 28 1HD LYS 28 6.330 6.314 0.489 248 2HD LYS 28 2HD LYS 28 6.910 6.626 2.127 249 1HE LYS 28 1HE LYS 28 8.517 8.074 1.430 250 2HE LYS 28 2HE LYS 28 8.766 7.232 -0.099 251 1HZ LYS 28 1HZ LYS 28 6.289 8.168 -0.425 252 2HZ LYS 28 2HZ LYS 28 6.939 9.387 0.551 253 3HZ LYS 28 3HZ LYS 28 7.677 8.998 -0.922 254 H GLN 29 H GLN 29 9.671 3.092 4.708 255 HA GLN 29 HA GLN 29 12.006 4.433 5.627 256 1HB GLN 29 1HB GLN 29 10.044 3.954 7.066 257 2HB GLN 29 2HB GLN 29 10.422 2.240 6.976 258 1HG GLN 29 1HG GLN 29 11.451 2.679 8.928 259 2HG GLN 29 2HG GLN 29 12.773 3.136 7.856 260 2HE2 GLN 29 2HE2 GLN 29 13.213 5.327 7.518 261 1HE2 GLN 29 1HE2 GLN 29 12.636 6.548 8.595 262 H SER 30 H SER 30 11.255 1.085 4.782 263 HA SER 30 HA SER 30 13.748 0.006 5.603 264 1HB SER 30 1HB SER 30 11.365 -1.067 4.796 265 2HB SER 30 2HB SER 30 12.383 -1.374 3.389 266 HG SER 30 HG SER 30 12.301 -2.858 5.443 267 H ILE 31 H ILE 31 12.505 1.126 2.484 268 HA ILE 31 HA ILE 31 14.850 0.478 1.007 269 HB ILE 31 HB ILE 31 12.725 0.719 -0.128 270 1HG1 ILE 31 1HG1 ILE 31 13.406 2.440 -1.890 271 2HG1 ILE 31 2HG1 ILE 31 14.833 2.736 -0.898 272 1HG2 ILE 31 1HG2 ILE 31 11.875 2.539 1.397 273 2HG2 ILE 31 2HG2 ILE 31 12.840 3.673 0.458 274 3HG2 ILE 31 3HG2 ILE 31 11.536 2.774 -0.314 275 1HD1 ILE 31 1HD1 ILE 31 15.221 0.210 -1.079 276 2HD1 ILE 31 2HD1 ILE 31 14.058 0.276 -2.401 277 3HD1 ILE 31 3HD1 ILE 31 15.549 1.212 -2.492 278 H LYS 32 H LYS 32 13.911 3.178 2.968 279 HA LYS 32 HA LYS 32 15.863 4.993 1.883 280 1HB LYS 32 1HB LYS 32 13.794 5.066 3.986 281 2HB LYS 32 2HB LYS 32 15.202 6.075 4.286 282 1HG LYS 32 1HG LYS 32 14.808 6.926 1.876 283 2HG LYS 32 2HG LYS 32 13.192 6.246 2.083 284 1HD LYS 32 1HD LYS 32 13.223 8.611 2.675 285 2HD LYS 32 2HD LYS 32 12.877 7.615 4.090 286 1HE LYS 32 1HE LYS 32 15.045 7.915 4.959 287 2HE LYS 32 2HE LYS 32 15.656 8.544 3.429 288 1HZ LYS 32 1HZ LYS 32 13.476 10.058 4.571 289 2HZ LYS 32 2HZ LYS 32 14.889 10.065 5.500 290 3HZ LYS 32 3HZ LYS 32 14.930 10.595 3.893 291 H LYS 33 H LYS 33 15.678 2.730 4.547 292 HA LYS 33 HA LYS 33 18.105 3.644 5.792 293 1HB LYS 33 1HB LYS 33 16.364 2.616 7.149 294 2HB LYS 33 2HB LYS 33 16.470 1.135 6.208 295 1HG LYS 33 1HG LYS 33 18.796 0.849 6.988 296 2HG LYS 33 2HG LYS 33 18.598 2.279 8.003 297 1HD LYS 33 1HD LYS 33 17.585 1.085 9.586 298 2HD LYS 33 2HD LYS 33 16.423 0.443 8.422 299 1HE LYS 33 1HE LYS 33 18.509 -1.046 7.738 300 2HE LYS 33 2HE LYS 33 18.978 -0.714 9.405 301 1HZ LYS 33 1HZ LYS 33 16.232 -1.472 9.190 302 2HZ LYS 33 2HZ LYS 33 17.261 -2.664 8.568 303 3HZ LYS 33 3HZ LYS 33 17.456 -2.125 10.160 304 H LEU 34 H LEU 34 17.195 1.232 3.444 305 HA LEU 34 HA LEU 34 19.721 -0.145 3.521 306 1HB LEU 34 1HB LEU 34 17.145 -0.567 2.364 307 2HB LEU 34 2HB LEU 34 18.344 -0.657 1.088 308 HG LEU 34 HG LEU 34 18.490 -2.263 3.638 309 1HD1 LEU 34 1HD1 LEU 34 16.505 -2.885 2.366 310 2HD1 LEU 34 2HD1 LEU 34 17.491 -3.094 0.918 311 3HD1 LEU 34 3HD1 LEU 34 17.725 -4.157 2.305 312 1HD2 LEU 34 1HD2 LEU 34 20.523 -1.679 2.014 313 2HD2 LEU 34 2HD2 LEU 34 20.360 -3.245 2.809 314 3HD2 LEU 34 3HD2 LEU 34 19.853 -3.053 1.132 315 H LYS 35 H LYS 35 18.281 2.463 1.704 316 HA LYS 35 HA LYS 35 20.324 2.496 -0.323 317 1HB LYS 35 1HB LYS 35 17.880 4.031 0.294 318 2HB LYS 35 2HB LYS 35 19.154 4.943 -0.503 319 1HG LYS 35 1HG LYS 35 19.211 3.001 -2.183 320 2HG LYS 35 2HG LYS 35 17.646 2.559 -1.499 321 1HD LYS 35 1HD LYS 35 17.160 5.133 -1.911 322 2HD LYS 35 2HD LYS 35 18.413 4.919 -3.136 323 1HE LYS 35 1HE LYS 35 16.730 2.713 -3.419 324 2HE LYS 35 2HE LYS 35 15.650 4.082 -3.158 325 1HZ LYS 35 1HZ LYS 35 17.727 4.749 -4.979 326 2HZ LYS 35 2HZ LYS 35 16.885 3.382 -5.512 327 3HZ LYS 35 3HZ LYS 35 16.050 4.818 -5.196 328 H GLN 36 H GLN 36 19.674 4.157 2.701 329 HA GLN 36 HA GLN 36 21.773 6.083 2.379 330 1HB GLN 36 1HB GLN 36 19.848 6.586 3.787 331 2HB GLN 36 2HB GLN 36 20.225 5.223 4.829 332 1HG GLN 36 1HG GLN 36 20.895 7.381 5.791 333 2HG GLN 36 2HG GLN 36 22.253 6.279 5.568 334 2HE2 GLN 36 2HE2 GLN 36 23.991 7.077 4.628 335 1HE2 GLN 36 1HE2 GLN 36 24.056 8.502 3.653 336 H SER 37 H SER 37 21.472 2.887 3.746 337 HA SER 37 HA SER 37 23.928 2.938 5.200 338 1HB SER 37 1HB SER 37 21.950 1.371 5.594 339 2HB SER 37 2HB SER 37 22.521 0.463 4.195 340 HG SER 37 HG SER 37 23.478 -0.468 5.938 341 H GLU 38 H GLU 38 23.022 2.293 1.917 342 HA GLU 38 HA GLU 38 25.328 0.824 1.154 343 1HB GLU 38 1HB GLU 38 22.941 1.704 -0.073 344 2HB GLU 38 2HB GLU 38 24.263 2.356 -1.032 345 1HG GLU 38 1HG GLU 38 25.142 0.201 -1.454 346 2HG GLU 38 2HG GLU 38 24.085 -0.538 -0.251 347 H ASP 39 H ASP 39 24.582 4.234 1.392 348 HA ASP 39 HA ASP 39 26.732 5.239 -0.120 349 1HB ASP 39 1HB ASP 39 24.691 6.509 0.725 350 2HB ASP 39 2HB ASP 39 25.515 6.608 2.277 351 H ASP 40 H ASP 40 26.534 3.958 3.095 352 HA ASP 40 HA ASP 40 28.140 3.426 4.618 353 1HB ASP 40 1HB ASP 40 29.459 3.295 2.171 354 2HB ASP 40 2HB ASP 40 30.498 4.316 3.162 355 H ASP 41 H ASP 41 28.931 4.488 6.355 356 HA ASP 41 HA ASP 41 30.330 6.903 6.343 357 1HB ASP 41 1HB ASP 41 27.786 7.455 5.630 358 2HB ASP 41 2HB ASP 41 27.630 7.548 7.381 359 H1 ALA 1 H1 ALA 1 34.507 -9.666 1.874 360 H2 ALA 1 H2 ALA 1 34.791 -8.473 3.075 361 H3 ALA 1 H3 ALA 1 34.003 -9.941 3.489 362 HA ALA 1 HA ALA 1 32.350 -8.372 3.378 363 1HB ALA 1 1HB ALA 1 32.910 -6.472 2.342 364 2HB ALA 1 2HB ALA 1 34.027 -7.289 1.249 365 3HB ALA 1 3HB ALA 1 32.302 -7.249 0.881 366 H LEU 2 H LEU 2 30.348 -8.429 2.022 367 HA LEU 2 HA LEU 2 30.062 -10.167 -0.166 368 1HB LEU 2 1HB LEU 2 30.626 -11.886 1.500 369 2HB LEU 2 2HB LEU 2 29.283 -11.360 2.496 370 HG LEU 2 HG LEU 2 28.347 -11.994 -0.151 371 1HD1 LEU 2 1HD1 LEU 2 30.467 -13.455 0.073 372 2HD1 LEU 2 2HD1 LEU 2 29.512 -14.374 1.236 373 3HD1 LEU 2 3HD1 LEU 2 28.955 -14.211 -0.430 374 1HD2 LEU 2 1HD2 LEU 2 27.748 -12.603 2.665 375 2HD2 LEU 2 2HD2 LEU 2 26.669 -12.168 1.340 376 3HD2 LEU 2 3HD2 LEU 2 27.247 -13.827 1.498 377 H LYS 3 H LYS 3 29.145 -7.611 0.675 378 HA LYS 3 HA LYS 3 26.277 -8.008 1.124 379 1HB LYS 3 1HB LYS 3 28.185 -5.942 1.822 380 2HB LYS 3 2HB LYS 3 26.792 -5.263 0.991 381 1HG LYS 3 1HG LYS 3 26.075 -5.172 3.154 382 2HG LYS 3 2HG LYS 3 25.450 -6.754 2.679 383 1HD LYS 3 1HD LYS 3 28.196 -6.721 3.759 384 2HD LYS 3 2HD LYS 3 26.913 -6.325 4.904 385 1HE LYS 3 1HE LYS 3 26.388 -8.649 3.179 386 2HE LYS 3 2HE LYS 3 27.722 -8.844 4.317 387 1HZ LYS 3 1HZ LYS 3 24.994 -7.956 5.082 388 2HZ LYS 3 2HZ LYS 3 25.545 -9.552 5.206 389 3HZ LYS 3 3HZ LYS 3 26.270 -8.334 6.128 390 H LYS 4 H LYS 4 25.825 -8.795 -0.985 391 HA LYS 4 HA LYS 4 25.786 -6.674 -3.029 392 1HB LYS 4 1HB LYS 4 27.276 -8.936 -3.246 393 2HB LYS 4 2HB LYS 4 25.773 -9.465 -3.991 394 1HG LYS 4 1HG LYS 4 26.003 -7.205 -5.306 395 2HG LYS 4 2HG LYS 4 27.706 -7.390 -4.881 396 1HD LYS 4 1HD LYS 4 27.805 -8.622 -6.761 397 2HD LYS 4 2HD LYS 4 27.107 -9.892 -5.751 398 1HE LYS 4 1HE LYS 4 24.873 -8.569 -6.518 399 2HE LYS 4 2HE LYS 4 25.901 -8.319 -7.928 400 1HZ LYS 4 1HZ LYS 4 26.023 -11.015 -7.039 401 2HZ LYS 4 2HZ LYS 4 24.421 -10.561 -7.341 402 3HZ LYS 4 3HZ LYS 4 25.589 -10.409 -8.557 403 H HIS 5 H HIS 5 24.185 -9.513 -1.684 404 HA HIS 5 HA HIS 5 21.943 -9.570 -3.347 405 1HB HIS 5 1HB HIS 5 20.857 -10.836 -1.551 406 2HB HIS 5 2HB HIS 5 22.512 -11.386 -1.798 407 HD1 HIS 5 HD1 HIS 5 20.764 -11.633 0.881 408 HD2 HIS 5 HD2 HIS 5 23.814 -8.912 0.132 409 HE1 HIS 5 HE1 HIS 5 21.617 -10.938 3.143 410 HE2 HIS 5 HE2 HIS 5 23.464 -9.293 2.666 411 H HIS 6 H HIS 6 22.777 -7.447 -0.729 412 HA HIS 6 HA HIS 6 20.190 -6.533 -0.083 413 1HB HIS 6 1HB HIS 6 21.238 -4.814 1.147 414 2HB HIS 6 2HB HIS 6 22.347 -6.177 1.235 415 HD1 HIS 6 HD1 HIS 6 24.696 -5.772 0.473 416 HD2 HIS 6 HD2 HIS 6 22.099 -2.753 -0.713 417 HE1 HIS 6 HE1 HIS 6 26.156 -3.970 -0.501 418 HE2 HIS 6 HE2 HIS 6 24.564 -2.158 -1.222 419 H GLU 7 H GLU 7 22.463 -5.621 -2.592 420 HA GLU 7 HA GLU 7 21.286 -3.208 -3.393 421 1HB GLU 7 1HB GLU 7 23.490 -3.863 -4.174 422 2HB GLU 7 2HB GLU 7 22.814 -5.257 -5.008 423 1HG GLU 7 1HG GLU 7 21.430 -3.517 -6.314 424 2HG GLU 7 2HG GLU 7 22.617 -2.360 -5.713 425 H ASN 8 H ASN 8 20.590 -6.553 -4.264 426 HA ASN 8 HA ASN 8 18.727 -5.965 -6.322 427 1HB ASN 8 1HB ASN 8 18.899 -8.437 -4.578 428 2HB ASN 8 2HB ASN 8 18.039 -8.307 -6.110 429 2HD2 ASN 8 2HD2 ASN 8 19.448 -10.193 -6.553 430 1HD2 ASN 8 1HD2 ASN 8 21.016 -9.888 -7.210 431 H GLU 9 H GLU 9 18.260 -6.982 -2.940 432 HA GLU 9 HA GLU 9 15.474 -6.667 -2.891 433 1HB GLU 9 1HB GLU 9 17.134 -7.733 -1.158 434 2HB GLU 9 2HB GLU 9 17.143 -6.118 -0.464 435 1HG GLU 9 1HG GLU 9 15.332 -6.686 0.669 436 2HG GLU 9 2HG GLU 9 14.455 -6.698 -0.861 437 H ILE 10 H ILE 10 17.998 -4.357 -2.980 438 HA ILE 10 HA ILE 10 16.659 -2.216 -1.682 439 HB ILE 10 HB ILE 10 19.235 -2.707 -2.675 440 1HG1 ILE 10 1HG1 ILE 10 18.868 0.016 -1.756 441 2HG1 ILE 10 2HG1 ILE 10 17.987 -1.140 -0.761 442 1HG2 ILE 10 1HG2 ILE 10 18.679 -1.713 -4.827 443 2HG2 ILE 10 2HG2 ILE 10 18.148 -0.239 -4.018 444 3HG2 ILE 10 3HG2 ILE 10 19.842 -0.724 -3.946 445 1HD1 ILE 10 1HD1 ILE 10 20.179 -2.456 -0.693 446 2HD1 ILE 10 2HD1 ILE 10 20.926 -0.972 -1.284 447 3HD1 ILE 10 3HD1 ILE 10 20.068 -0.972 0.257 448 H SER 11 H SER 11 17.237 -2.982 -5.119 449 HA SER 11 HA SER 11 15.721 -0.845 -6.152 450 1HB SER 11 1HB SER 11 16.263 -3.529 -7.446 451 2HB SER 11 2HB SER 11 15.798 -2.042 -8.275 452 HG SER 11 HG SER 11 18.229 -2.862 -7.680 453 H HIS 12 H HIS 12 14.832 -3.997 -4.971 454 HA HIS 12 HA HIS 12 12.232 -4.028 -6.139 455 1HB HIS 12 1HB HIS 12 12.612 -6.184 -5.612 456 2HB HIS 12 2HB HIS 12 13.856 -5.761 -4.450 457 HD1 HIS 12 HD1 HIS 12 10.206 -6.559 -4.710 458 HD2 HIS 12 HD2 HIS 12 13.038 -5.727 -1.790 459 HE1 HIS 12 HE1 HIS 12 9.107 -7.147 -2.524 460 HE2 HIS 12 HE2 HIS 12 10.841 -6.636 -0.768 461 H HIS 13 H HIS 13 13.508 -3.101 -2.949 462 HA HIS 13 HA HIS 13 11.029 -2.579 -1.737 463 1HB HIS 13 1HB HIS 13 13.674 -1.216 -1.224 464 2HB HIS 13 2HB HIS 13 12.276 -1.171 -0.161 465 HD1 HIS 13 HD1 HIS 13 11.738 -4.349 -0.571 466 HD2 HIS 13 HD2 HIS 13 15.221 -2.468 0.666 467 HE1 HIS 13 HE1 HIS 13 13.006 -6.088 0.735 468 HE2 HIS 13 HE2 HIS 13 15.119 -4.928 1.477 469 H ALA 14 H ALA 14 13.034 -0.692 -3.904 470 HA ALA 14 HA ALA 14 11.771 1.807 -3.506 471 1HB ALA 14 1HB ALA 14 13.315 0.690 -5.842 472 2HB ALA 14 2HB ALA 14 13.897 1.777 -4.580 473 3HB ALA 14 3HB ALA 14 12.728 2.352 -5.769 474 H LYS 15 H LYS 15 11.368 -0.599 -6.108 475 HA LYS 15 HA LYS 15 9.117 0.663 -7.256 476 1HB LYS 15 1HB LYS 15 10.556 -1.873 -7.581 477 2HB LYS 15 2HB LYS 15 8.833 -1.997 -7.907 478 1HG LYS 15 1HG LYS 15 9.426 0.245 -9.284 479 2HG LYS 15 2HG LYS 15 10.952 -0.632 -9.416 480 1HD LYS 15 1HD LYS 15 8.810 -2.459 -9.859 481 2HD LYS 15 2HD LYS 15 8.555 -1.038 -10.873 482 1HE LYS 15 1HE LYS 15 11.316 -2.046 -10.807 483 2HE LYS 15 2HE LYS 15 10.139 -3.140 -11.535 484 1HZ LYS 15 1HZ LYS 15 9.799 -0.454 -12.436 485 2HZ LYS 15 2HZ LYS 15 11.360 -1.019 -12.757 486 3HZ LYS 15 3HZ LYS 15 10.017 -1.869 -13.337 487 H GLU 16 H GLU 16 9.509 -1.131 -4.387 488 HA GLU 16 HA GLU 16 6.810 -2.127 -4.267 489 1HB GLU 16 1HB GLU 16 8.955 -3.132 -3.184 490 2HB GLU 16 2HB GLU 16 8.661 -1.957 -1.911 491 1HG GLU 16 1HG GLU 16 7.746 -4.248 -1.501 492 2HG GLU 16 2HG GLU 16 6.582 -2.932 -1.359 493 H ILE 17 H ILE 17 8.625 0.642 -3.034 494 HA ILE 17 HA ILE 17 6.532 1.476 -1.257 495 HB ILE 17 HB ILE 17 7.848 3.311 -0.704 496 1HG1 ILE 17 1HG1 ILE 17 9.915 3.808 -2.344 497 2HG1 ILE 17 2HG1 ILE 17 8.778 3.183 -3.533 498 1HG2 ILE 17 1HG2 ILE 17 9.029 0.821 -0.865 499 2HG2 ILE 17 2HG2 ILE 17 10.252 1.919 -1.502 500 3HG2 ILE 17 3HG2 ILE 17 9.579 2.188 0.104 501 1HD1 ILE 17 1HD1 ILE 17 7.288 4.979 -2.047 502 2HD1 ILE 17 2HD1 ILE 17 8.862 5.753 -2.229 503 3HD1 ILE 17 3HD1 ILE 17 7.962 5.237 -3.656 504 H GLU 18 H GLU 18 7.467 2.200 -4.566 505 HA GLU 18 HA GLU 18 5.560 4.325 -4.881 506 1HB GLU 18 1HB GLU 18 7.575 2.974 -6.547 507 2HB GLU 18 2HB GLU 18 6.151 3.512 -7.428 508 1HG GLU 18 1HG GLU 18 6.571 5.756 -6.169 509 2HG GLU 18 2HG GLU 18 8.203 5.116 -5.983 510 H ARG 19 H ARG 19 5.713 0.892 -5.693 511 HA ARG 19 HA ARG 19 3.212 0.839 -7.061 512 1HB ARG 19 1HB ARG 19 4.941 -1.330 -5.871 513 2HB ARG 19 2HB ARG 19 3.428 -1.668 -6.700 514 1HG ARG 19 1HG ARG 19 5.313 0.028 -8.184 515 2HG ARG 19 2HG ARG 19 5.847 -1.629 -7.895 516 1HD ARG 19 1HD ARG 19 4.699 -1.955 -9.834 517 2HD ARG 19 2HD ARG 19 3.374 -2.164 -8.689 518 HE ARG 19 HE ARG 19 3.640 0.552 -9.499 519 1HH1 ARG 19 1HH1 ARG 19 2.441 -2.556 -10.517 520 2HH1 ARG 19 2HH1 ARG 19 1.237 -1.891 -11.570 521 1HH2 ARG 19 1HH2 ARG 19 2.057 1.438 -10.881 522 2HH2 ARG 19 2HH2 ARG 19 1.018 0.380 -11.776 523 H LEU 20 H LEU 20 4.195 0.651 -3.745 524 HA LEU 20 HA LEU 20 1.821 -0.562 -2.739 525 1HB LEU 20 1HB LEU 20 4.234 0.700 -1.621 526 2HB LEU 20 2HB LEU 20 2.800 0.876 -0.637 527 HG LEU 20 HG LEU 20 4.332 -1.117 -0.161 528 1HD1 LEU 20 1HD1 LEU 20 1.978 -0.777 0.654 529 2HD1 LEU 20 2HD1 LEU 20 1.448 -1.783 -0.695 530 3HD1 LEU 20 3HD1 LEU 20 2.508 -2.456 0.543 531 1HD2 LEU 20 1HD2 LEU 20 3.868 -1.602 -2.877 532 2HD2 LEU 20 2HD2 LEU 20 4.689 -2.653 -1.724 533 3HD2 LEU 20 3HD2 LEU 20 2.959 -2.839 -2.008 534 H GLN 21 H GLN 21 2.952 2.778 -3.097 535 HA GLN 21 HA GLN 21 0.777 4.045 -1.855 536 1HB GLN 21 1HB GLN 21 2.995 5.071 -2.582 537 2HB GLN 21 2HB GLN 21 2.308 5.168 -4.198 538 1HG GLN 21 1HG GLN 21 0.368 6.421 -3.008 539 2HG GLN 21 2HG GLN 21 1.557 6.662 -1.729 540 2HE2 GLN 21 2HE2 GLN 21 3.469 7.830 -2.214 541 1HE2 GLN 21 1HE2 GLN 21 3.509 8.957 -3.522 542 H LYS 22 H LYS 22 1.336 3.220 -5.265 543 HA LYS 22 HA LYS 22 -1.089 4.260 -6.254 544 1HB LYS 22 1HB LYS 22 1.106 3.349 -7.441 545 2HB LYS 22 2HB LYS 22 0.159 1.872 -7.535 546 1HG LYS 22 1HG LYS 22 -0.830 4.527 -8.541 547 2HG LYS 22 2HG LYS 22 0.056 3.381 -9.543 548 1HD LYS 22 1HD LYS 22 -2.652 3.054 -8.277 549 2HD LYS 22 2HD LYS 22 -2.229 2.995 -9.986 550 1HE LYS 22 1HE LYS 22 -0.714 0.978 -9.110 551 2HE LYS 22 2HE LYS 22 -1.985 0.919 -7.890 552 1HZ LYS 22 1HZ LYS 22 -3.467 1.094 -10.062 553 2HZ LYS 22 2HZ LYS 22 -2.119 0.329 -10.740 554 3HZ LYS 22 3HZ LYS 22 -2.937 -0.391 -9.445 555 H GLU 23 H GLU 23 -0.246 1.215 -4.767 556 HA GLU 23 HA GLU 23 -2.591 -0.204 -5.511 557 1HB GLU 23 1HB GLU 23 -0.574 -1.374 -4.809 558 2HB GLU 23 2HB GLU 23 -0.672 -0.637 -3.216 559 1HG GLU 23 1HG GLU 23 -2.896 -1.784 -2.948 560 2HG GLU 23 2HG GLU 23 -2.519 -2.674 -4.423 561 H ILE 24 H ILE 24 -1.768 1.902 -2.823 562 HA ILE 24 HA ILE 24 -4.027 1.253 -1.233 563 HB ILE 24 HB ILE 24 -3.317 2.799 0.278 564 1HG1 ILE 24 1HG1 ILE 24 -2.028 4.937 -0.461 565 2HG1 ILE 24 2HG1 ILE 24 -2.694 4.591 -2.053 566 1HG2 ILE 24 1HG2 ILE 24 -1.340 1.406 -0.686 567 2HG2 ILE 24 2HG2 ILE 24 -0.754 2.980 -1.226 568 3HG2 ILE 24 3HG2 ILE 24 -1.041 2.687 0.489 569 1HD1 ILE 24 1HD1 ILE 24 -4.793 4.410 -0.150 570 2HD1 ILE 24 2HD1 ILE 24 -3.917 5.919 0.116 571 3HD1 ILE 24 3HD1 ILE 24 -4.591 5.560 -1.473 572 H GLU 25 H GLU 25 -3.384 3.742 -3.655 573 HA GLU 25 HA GLU 25 -5.781 5.173 -3.404 574 1HB GLU 25 1HB GLU 25 -3.636 5.694 -4.787 575 2HB GLU 25 2HB GLU 25 -4.429 4.770 -6.056 576 1HG GLU 25 1HG GLU 25 -5.868 6.414 -6.525 577 2HG GLU 25 2HG GLU 25 -6.121 6.813 -4.826 578 H ARG 26 H ARG 26 -4.933 2.330 -5.324 579 HA ARG 26 HA ARG 26 -7.317 2.112 -6.783 580 1HB ARG 26 1HB ARG 26 -5.079 0.310 -6.071 581 2HB ARG 26 2HB ARG 26 -6.585 -0.480 -6.517 582 1HG ARG 26 1HG ARG 26 -5.018 1.479 -8.182 583 2HG ARG 26 2HG ARG 26 -5.181 -0.257 -8.455 584 1HD ARG 26 1HD ARG 26 -6.982 0.139 -9.691 585 2HD ARG 26 2HD ARG 26 -7.792 0.778 -8.263 586 HE ARG 26 HE ARG 26 -6.081 2.686 -9.561 587 1HH1 ARG 26 1HH1 ARG 26 -9.259 1.262 -9.516 588 2HH1 ARG 26 2HH1 ARG 26 -10.021 2.623 -10.272 589 1HH2 ARG 26 1HH2 ARG 26 -7.074 4.482 -10.555 590 2HH2 ARG 26 2HH2 ARG 26 -8.777 4.454 -10.863 591 H HIS 27 H HIS 27 -6.414 0.986 -3.565 592 HA HIS 27 HA HIS 27 -8.742 -0.560 -3.099 593 1HB HIS 27 1HB HIS 27 -6.403 0.279 -1.610 594 2HB HIS 27 2HB HIS 27 -7.852 0.406 -0.618 595 HD1 HIS 27 HD1 HIS 27 -9.417 -1.960 -0.935 596 HD2 HIS 27 HD2 HIS 27 -5.288 -2.156 -1.359 597 HE1 HIS 27 HE1 HIS 27 -8.819 -4.377 -0.582 598 HE2 HIS 27 HE2 HIS 27 -6.314 -4.474 -0.842 599 H LYS 28 H LYS 28 -7.999 2.823 -2.905 600 HA LYS 28 HA LYS 28 -10.231 3.572 -1.295 601 1HB LYS 28 1HB LYS 28 -8.450 5.174 -3.134 602 2HB LYS 28 2HB LYS 28 -9.693 5.882 -2.113 603 1HG LYS 28 1HG LYS 28 -8.553 5.084 -0.127 604 2HG LYS 28 2HG LYS 28 -7.330 4.297 -1.126 605 1HD LYS 28 1HD LYS 28 -6.332 6.308 -0.472 606 2HD LYS 28 2HD LYS 28 -6.907 6.623 -2.109 607 1HE LYS 28 1HE LYS 28 -8.515 8.073 -1.413 608 2HE LYS 28 2HE LYS 28 -8.766 7.231 0.115 609 1HZ LYS 28 1HZ LYS 28 -6.288 8.164 0.440 610 2HZ LYS 28 2HZ LYS 28 -6.938 9.385 -0.534 611 3HZ LYS 28 3HZ LYS 28 -7.674 8.994 0.939 612 H GLN 29 H GLN 29 -9.674 3.093 -4.701 613 HA GLN 29 HA GLN 29 -12.008 4.440 -5.618 614 1HB GLN 29 1HB GLN 29 -10.046 3.964 -7.058 615 2HB GLN 29 2HB GLN 29 -10.422 2.249 -6.972 616 1HG GLN 29 1HG GLN 29 -11.452 2.691 -8.922 617 2HG GLN 29 2HG GLN 29 -12.776 3.146 -7.849 618 2HE2 GLN 29 2HE2 GLN 29 -13.214 5.337 -7.506 619 1HE2 GLN 29 1HE2 GLN 29 -12.637 6.560 -8.582 620 H SER 30 H SER 30 -11.256 1.091 -4.778 621 HA SER 30 HA SER 30 -13.751 0.014 -5.602 622 1HB SER 30 1HB SER 30 -11.368 -1.062 -4.796 623 2HB SER 30 2HB SER 30 -12.387 -1.372 -3.390 624 HG SER 30 HG SER 30 -12.306 -2.853 -5.444 625 H ILE 31 H ILE 31 -12.507 1.127 -2.480 626 HA ILE 31 HA ILE 31 -14.852 0.478 -1.005 627 HB ILE 31 HB ILE 31 -12.727 0.718 0.132 628 1HG1 ILE 31 1HG1 ILE 31 -13.409 2.437 1.896 629 2HG1 ILE 31 2HG1 ILE 31 -14.835 2.734 0.903 630 1HG2 ILE 31 1HG2 ILE 31 -11.876 2.539 -1.391 631 2HG2 ILE 31 2HG2 ILE 31 -12.842 3.672 -0.451 632 3HG2 ILE 31 3HG2 ILE 31 -11.539 2.774 0.322 633 1HD1 ILE 31 1HD1 ILE 31 -15.224 0.207 1.081 634 2HD1 ILE 31 2HD1 ILE 31 -14.061 0.274 2.404 635 3HD1 ILE 31 3HD1 ILE 31 -15.552 1.210 2.494 636 H LYS 32 H LYS 32 -13.913 3.181 -2.962 637 HA LYS 32 HA LYS 32 -15.866 4.995 -1.873 638 1HB LYS 32 1HB LYS 32 -13.798 5.071 -3.978 639 2HB LYS 32 2HB LYS 32 -15.206 6.082 -4.273 640 1HG LYS 32 1HG LYS 32 -14.809 6.928 -1.863 641 2HG LYS 32 2HG LYS 32 -13.194 6.246 -2.071 642 1HD LYS 32 1HD LYS 32 -13.221 8.612 -2.660 643 2HD LYS 32 2HD LYS 32 -12.879 7.617 -4.076 644 1HE LYS 32 1HE LYS 32 -15.045 7.923 -4.945 645 2HE LYS 32 2HE LYS 32 -15.657 8.546 -3.413 646 1HZ LYS 32 1HZ LYS 32 -13.477 10.065 -4.549 647 2HZ LYS 32 2HZ LYS 32 -14.890 10.074 -5.478 648 3HZ LYS 32 3HZ LYS 32 -14.931 10.599 -3.870 649 H LYS 33 H LYS 33 -15.681 2.735 -4.541 650 HA LYS 33 HA LYS 33 -18.108 3.653 -5.784 651 1HB LYS 33 1HB LYS 33 -16.368 2.628 -7.143 652 2HB LYS 33 2HB LYS 33 -16.471 1.145 -6.204 653 1HG LYS 33 1HG LYS 33 -18.798 0.858 -6.984 654 2HG LYS 33 2HG LYS 33 -18.602 2.289 -7.999 655 1HD LYS 33 1HD LYS 33 -17.585 1.097 -9.581 656 2HD LYS 33 2HD LYS 33 -16.425 0.454 -8.418 657 1HE LYS 33 1HE LYS 33 -18.510 -1.036 -7.736 658 2HE LYS 33 2HE LYS 33 -18.980 -0.702 -9.402 659 1HZ LYS 33 1HZ LYS 33 -16.234 -1.461 -9.189 660 2HZ LYS 33 2HZ LYS 33 -17.263 -2.653 -8.568 661 3HZ LYS 33 3HZ LYS 33 -17.458 -2.112 -10.159 662 H LEU 34 H LEU 34 -17.198 1.236 -3.441 663 HA LEU 34 HA LEU 34 -19.723 -0.142 -3.521 664 1HB LEU 34 1HB LEU 34 -17.148 -0.564 -2.365 665 2HB LEU 34 2HB LEU 34 -18.344 -0.656 -1.088 666 HG LEU 34 HG LEU 34 -18.493 -2.259 -3.639 667 1HD1 LEU 34 1HD1 LEU 34 -16.507 -2.882 -2.368 668 2HD1 LEU 34 2HD1 LEU 34 -17.492 -3.092 -0.920 669 3HD1 LEU 34 3HD1 LEU 34 -17.727 -4.155 -2.309 670 1HD2 LEU 34 1HD2 LEU 34 -20.524 -1.677 -2.012 671 2HD2 LEU 34 2HD2 LEU 34 -20.363 -3.241 -2.810 672 3HD2 LEU 34 3HD2 LEU 34 -19.854 -3.052 -1.132 673 H LYS 35 H LYS 35 -18.283 2.462 -1.698 674 HA LYS 35 HA LYS 35 -20.325 2.493 0.329 675 1HB LYS 35 1HB LYS 35 -17.880 4.028 -0.286 676 2HB LYS 35 2HB LYS 35 -19.154 4.940 0.511 677 1HG LYS 35 1HG LYS 35 -19.213 2.996 2.190 678 2HG LYS 35 2HG LYS 35 -17.647 2.555 1.506 679 1HD LYS 35 1HD LYS 35 -17.162 5.129 1.921 680 2HD LYS 35 2HD LYS 35 -18.415 4.914 3.144 681 1HE LYS 35 1HE LYS 35 -16.733 2.707 3.427 682 2HE LYS 35 2HE LYS 35 -15.652 4.076 3.168 683 1HZ LYS 35 1HZ LYS 35 -17.730 4.741 4.988 684 2HZ LYS 35 2HZ LYS 35 -16.889 3.375 5.521 685 3HZ LYS 35 3HZ LYS 35 -16.053 4.811 5.207 686 H GLN 36 H GLN 36 -19.676 4.158 -2.691 687 HA GLN 36 HA GLN 36 -21.775 6.084 -2.367 688 1HB GLN 36 1HB GLN 36 -19.849 6.590 -3.773 689 2HB GLN 36 2HB GLN 36 -20.226 5.228 -4.819 690 1HG GLN 36 1HG GLN 36 -20.894 7.388 -5.776 691 2HG GLN 36 2HG GLN 36 -22.253 6.287 -5.555 692 2HE2 GLN 36 2HE2 GLN 36 -23.990 7.087 -4.619 693 1HE2 GLN 36 1HE2 GLN 36 -24.056 8.509 -3.640 694 H SER 37 H SER 37 -21.474 2.890 -3.735 695 HA SER 37 HA SER 37 -23.930 2.942 -5.191 696 1HB SER 37 1HB SER 37 -21.952 1.375 -5.588 697 2HB SER 37 2HB SER 37 -22.522 0.466 -4.189 698 HG SER 37 HG SER 37 -23.477 -0.463 -5.934 699 H GLU 38 H GLU 38 -23.024 2.296 -1.909 700 HA GLU 38 HA GLU 38 -25.330 0.824 -1.148 701 1HB GLU 38 1HB GLU 38 -22.942 1.703 0.082 702 2HB GLU 38 2HB GLU 38 -24.264 2.352 1.041 703 1HG GLU 38 1HG GLU 38 -25.143 0.196 1.458 704 2HG GLU 38 2HG GLU 38 -24.083 -0.540 0.254 705 H ASP 39 H ASP 39 -24.583 4.234 -1.382 706 HA ASP 39 HA ASP 39 -26.734 5.236 0.132 707 1HB ASP 39 1HB ASP 39 -24.694 6.508 -0.708 708 2HB ASP 39 2HB ASP 39 -25.515 6.609 -2.263 709 H ASP 40 H ASP 40 -26.536 3.961 -3.085 710 HA ASP 40 HA ASP 40 -28.143 3.431 -4.610 711 1HB ASP 40 1HB ASP 40 -29.462 3.298 -2.162 712 2HB ASP 40 2HB ASP 40 -30.501 4.320 -3.152 713 H ASP 41 H ASP 41 -28.934 4.495 -6.344 714 HA ASP 41 HA ASP 41 -30.331 6.911 -6.329 715 1HB ASP 41 1HB ASP 41 -27.788 7.462 -5.615 716 2HB ASP 41 2HB ASP 41 -27.631 7.557 -7.366 No H/Q in entry = 716 Start of MODEL 25 1 H1 ALA 1 H1 ALA 1 -32.487 6.766 4.165 2 H2 ALA 1 H2 ALA 1 -32.053 8.078 3.146 3 H3 ALA 1 H3 ALA 1 -33.221 6.933 2.625 4 HA ALA 1 HA ALA 1 -31.729 5.382 2.136 5 1HB ALA 1 1HB ALA 1 -29.972 6.359 0.890 6 2HB ALA 1 2HB ALA 1 -31.306 7.510 0.848 7 3HB ALA 1 3HB ALA 1 -29.937 7.789 1.923 8 H LEU 2 H LEU 2 -31.012 3.951 3.594 9 HA LEU 2 HA LEU 2 -28.695 4.731 5.234 10 1HB LEU 2 1HB LEU 2 -30.637 4.560 6.675 11 2HB LEU 2 2HB LEU 2 -31.013 2.972 6.033 12 HG LEU 2 HG LEU 2 -28.429 2.679 6.984 13 1HD1 LEU 2 1HD1 LEU 2 -29.787 4.824 8.432 14 2HD1 LEU 2 2HD1 LEU 2 -29.205 3.518 9.463 15 3HD1 LEU 2 3HD1 LEU 2 -28.082 4.373 8.404 16 1HD2 LEU 2 1HD2 LEU 2 -30.491 1.193 7.136 17 2HD2 LEU 2 2HD2 LEU 2 -29.385 1.173 8.508 18 3HD2 LEU 2 3HD2 LEU 2 -30.889 2.090 8.601 19 H LYS 3 H LYS 3 -30.395 1.650 4.747 20 HA LYS 3 HA LYS 3 -29.679 -0.389 4.036 21 1HB LYS 3 1HB LYS 3 -27.911 1.403 2.379 22 2HB LYS 3 2HB LYS 3 -27.868 -0.349 2.232 23 1HG LYS 3 1HG LYS 3 -29.290 0.400 0.523 24 2HG LYS 3 2HG LYS 3 -30.356 -0.236 1.779 25 1HD LYS 3 1HD LYS 3 -31.188 1.886 0.882 26 2HD LYS 3 2HD LYS 3 -30.767 2.026 2.590 27 1HE LYS 3 1HE LYS 3 -29.262 3.610 2.166 28 2HE LYS 3 2HE LYS 3 -28.502 2.634 0.909 29 1HZ LYS 3 1HZ LYS 3 -30.377 3.379 -0.568 30 2HZ LYS 3 2HZ LYS 3 -30.782 4.506 0.628 31 3HZ LYS 3 3HZ LYS 3 -29.272 4.582 -0.130 32 H LYS 4 H LYS 4 -28.109 -1.992 4.437 33 HA LYS 4 HA LYS 4 -25.772 -1.088 5.984 34 1HB LYS 4 1HB LYS 4 -26.161 -3.296 7.297 35 2HB LYS 4 2HB LYS 4 -27.129 -1.882 7.690 36 1HG LYS 4 1HG LYS 4 -28.830 -2.873 6.016 37 2HG LYS 4 2HG LYS 4 -27.928 -4.372 6.249 38 1HD LYS 4 1HD LYS 4 -29.302 -4.692 7.993 39 2HD LYS 4 2HD LYS 4 -28.274 -3.519 8.819 40 1HE LYS 4 1HE LYS 4 -29.860 -1.766 7.740 41 2HE LYS 4 2HE LYS 4 -30.960 -3.132 7.558 42 1HZ LYS 4 1HZ LYS 4 -29.729 -2.379 10.148 43 2HZ LYS 4 2HZ LYS 4 -31.238 -1.806 9.639 44 3HZ LYS 4 3HZ LYS 4 -31.002 -3.462 9.885 45 H HIS 5 H HIS 5 -26.268 -2.103 3.149 46 HA HIS 5 HA HIS 5 -24.653 -4.541 3.170 47 1HB HIS 5 1HB HIS 5 -25.737 -3.199 0.705 48 2HB HIS 5 2HB HIS 5 -25.342 -4.897 0.950 49 HD1 HIS 5 HD1 HIS 5 -26.997 -5.148 3.662 50 HD2 HIS 5 HD2 HIS 5 -28.390 -3.639 0.049 51 HE1 HIS 5 HE1 HIS 5 -29.497 -5.417 3.740 52 HE2 HIS 5 HE2 HIS 5 -30.320 -4.497 1.543 53 H HIS 6 H HIS 6 -24.611 -1.215 1.992 54 HA HIS 6 HA HIS 6 -22.168 -1.357 0.605 55 1HB HIS 6 1HB HIS 6 -23.705 0.921 1.838 56 2HB HIS 6 2HB HIS 6 -22.147 1.185 1.062 57 HD1 HIS 6 HD1 HIS 6 -23.672 -1.390 -0.831 58 HD2 HIS 6 HD2 HIS 6 -24.204 2.724 -0.578 59 HE1 HIS 6 HE1 HIS 6 -24.841 -0.731 -2.958 60 HE2 HIS 6 HE2 HIS 6 -25.154 1.763 -2.783 61 H GLU 7 H GLU 7 -22.933 -0.550 3.965 62 HA GLU 7 HA GLU 7 -20.347 0.193 4.759 63 1HB GLU 7 1HB GLU 7 -21.199 -0.557 7.072 64 2HB GLU 7 2HB GLU 7 -22.049 0.754 6.266 65 1HG GLU 7 1HG GLU 7 -23.916 -0.500 5.884 66 2HG GLU 7 2HG GLU 7 -23.022 -2.020 5.850 67 H ASN 8 H ASN 8 -21.782 -2.890 4.120 68 HA ASN 8 HA ASN 8 -19.958 -4.486 5.612 69 1HB ASN 8 1HB ASN 8 -22.202 -4.915 3.838 70 2HB ASN 8 2HB ASN 8 -20.886 -6.019 3.449 71 2HD2 ASN 8 2HD2 ASN 8 -23.624 -5.940 5.034 72 1HD2 ASN 8 1HD2 ASN 8 -23.274 -6.962 6.382 73 H GLU 9 H GLU 9 -20.261 -3.987 2.082 74 HA GLU 9 HA GLU 9 -17.679 -5.074 1.544 75 1HB GLU 9 1HB GLU 9 -19.661 -3.499 -0.082 76 2HB GLU 9 2HB GLU 9 -18.075 -3.904 -0.725 77 1HG GLU 9 1HG GLU 9 -19.696 -5.512 -1.475 78 2HG GLU 9 2HG GLU 9 -18.559 -6.286 -0.371 79 H ILE 10 H ILE 10 -18.653 -2.130 2.836 80 HA ILE 10 HA ILE 10 -16.442 -0.580 1.776 81 HB ILE 10 HB ILE 10 -18.827 0.040 3.500 82 1HG1 ILE 10 1HG1 ILE 10 -17.788 1.409 1.021 83 2HG1 ILE 10 2HG1 ILE 10 -18.908 0.050 0.982 84 1HG2 ILE 10 1HG2 ILE 10 -16.272 1.415 3.629 85 2HG2 ILE 10 2HG2 ILE 10 -17.600 2.480 3.166 86 3HG2 ILE 10 3HG2 ILE 10 -17.694 1.556 4.665 87 1HD1 ILE 10 1HD1 ILE 10 -20.520 1.374 2.276 88 2HD1 ILE 10 2HD1 ILE 10 -19.403 2.738 2.239 89 3HD1 ILE 10 3HD1 ILE 10 -20.101 2.128 0.738 90 H SER 11 H SER 11 -17.338 -2.401 4.589 91 HA SER 11 HA SER 11 -15.253 -1.296 6.251 92 1HB SER 11 1HB SER 11 -17.461 -3.220 6.582 93 2HB SER 11 2HB SER 11 -16.008 -3.617 7.498 94 HG SER 11 HG SER 11 -16.512 -2.083 8.825 95 H HIS 12 H HIS 12 -15.711 -3.963 4.072 96 HA HIS 12 HA HIS 12 -13.333 -5.345 4.911 97 1HB HIS 12 1HB HIS 12 -14.623 -6.971 4.027 98 2HB HIS 12 2HB HIS 12 -15.581 -5.828 3.101 99 HD1 HIS 12 HD1 HIS 12 -12.534 -8.015 2.842 100 HD2 HIS 12 HD2 HIS 12 -14.905 -5.597 0.440 101 HE1 HIS 12 HE1 HIS 12 -11.822 -8.514 0.481 102 HE2 HIS 12 HE2 HIS 12 -13.273 -7.041 -0.960 103 H HIS 13 H HIS 13 -14.287 -3.368 2.076 104 HA HIS 13 HA HIS 13 -11.690 -3.454 0.907 105 1HB HIS 13 1HB HIS 13 -13.864 -1.388 0.513 106 2HB HIS 13 2HB HIS 13 -12.441 -1.590 -0.498 107 HD1 HIS 13 HD1 HIS 13 -12.663 -4.756 -0.668 108 HD2 HIS 13 HD2 HIS 13 -15.672 -2.001 -1.434 109 HE1 HIS 13 HE1 HIS 13 -14.267 -5.930 -2.213 110 HE2 HIS 13 HE2 HIS 13 -16.089 -4.246 -2.659 111 H ALA 14 H ALA 14 -13.192 -1.537 3.383 112 HA ALA 14 HA ALA 14 -11.391 0.654 3.338 113 1HB ALA 14 1HB ALA 14 -12.205 0.827 5.816 114 2HB ALA 14 2HB ALA 14 -13.328 1.142 4.492 115 3HB ALA 14 3HB ALA 14 -13.354 -0.416 5.319 116 H LYS 15 H LYS 15 -11.513 -2.348 5.225 117 HA LYS 15 HA LYS 15 -9.122 -1.800 6.675 118 1HB LYS 15 1HB LYS 15 -10.913 -3.367 7.439 119 2HB LYS 15 2HB LYS 15 -10.426 -4.479 6.167 120 1HG LYS 15 1HG LYS 15 -8.724 -5.263 7.365 121 2HG LYS 15 2HG LYS 15 -8.193 -3.643 7.821 122 1HD LYS 15 1HD LYS 15 -9.967 -3.583 9.541 123 2HD LYS 15 2HD LYS 15 -10.401 -5.240 9.115 124 1HE LYS 15 1HE LYS 15 -8.848 -4.870 11.128 125 2HE LYS 15 2HE LYS 15 -8.410 -6.108 9.952 126 1HZ LYS 15 1HZ LYS 15 -7.362 -3.377 9.643 127 2HZ LYS 15 2HZ LYS 15 -6.644 -4.421 10.765 128 3HZ LYS 15 3HZ LYS 15 -6.696 -4.844 9.129 129 H GLU 16 H GLU 16 -9.786 -2.981 3.515 130 HA GLU 16 HA GLU 16 -7.301 -4.392 3.196 131 1HB GLU 16 1HB GLU 16 -9.740 -4.066 1.708 132 2HB GLU 16 2HB GLU 16 -8.359 -3.770 0.661 133 1HG GLU 16 1HG GLU 16 -7.828 -5.925 0.582 134 2HG GLU 16 2HG GLU 16 -7.999 -6.116 2.327 135 H ILE 17 H ILE 17 -8.528 -1.168 2.429 136 HA ILE 17 HA ILE 17 -6.175 -0.457 0.908 137 HB ILE 17 HB ILE 17 -8.250 0.601 0.317 138 1HG1 ILE 17 1HG1 ILE 17 -5.979 1.900 0.392 139 2HG1 ILE 17 2HG1 ILE 17 -7.465 2.757 0.016 140 1HG2 ILE 17 1HG2 ILE 17 -8.413 1.179 3.218 141 2HG2 ILE 17 2HG2 ILE 17 -9.113 2.354 2.104 142 3HG2 ILE 17 3HG2 ILE 17 -9.668 0.681 2.083 143 1HD1 ILE 17 1HD1 ILE 17 -7.541 3.362 2.493 144 2HD1 ILE 17 2HD1 ILE 17 -5.870 2.807 2.552 145 3HD1 ILE 17 3HD1 ILE 17 -6.317 4.143 1.496 146 H GLU 18 H GLU 18 -7.323 -0.096 4.198 147 HA GLU 18 HA GLU 18 -5.197 1.691 4.961 148 1HB GLU 18 1HB GLU 18 -7.604 0.587 6.190 149 2HB GLU 18 2HB GLU 18 -6.241 0.633 7.298 150 1HG GLU 18 1HG GLU 18 -6.729 3.073 5.714 151 2HG GLU 18 2HG GLU 18 -7.925 2.675 6.946 152 H ARG 19 H ARG 19 -5.818 -1.743 4.989 153 HA ARG 19 HA ARG 19 -3.633 -2.387 6.736 154 1HB ARG 19 1HB ARG 19 -5.500 -3.908 6.639 155 2HB ARG 19 2HB ARG 19 -5.330 -4.083 4.898 156 1HG ARG 19 1HG ARG 19 -2.890 -4.784 6.282 157 2HG ARG 19 2HG ARG 19 -4.265 -5.734 6.849 158 1HD ARG 19 1HD ARG 19 -4.670 -5.818 4.179 159 2HD ARG 19 2HD ARG 19 -2.910 -5.727 4.234 160 HE ARG 19 HE ARG 19 -2.922 -7.912 4.856 161 1HH1 ARG 19 1HH1 ARG 19 -5.923 -6.476 5.882 162 2HH1 ARG 19 2HH1 ARG 19 -6.555 -7.949 6.537 163 1HH2 ARG 19 1HH2 ARG 19 -3.743 -9.859 5.716 164 2HH2 ARG 19 2HH2 ARG 19 -5.316 -9.873 6.443 165 H LEU 20 H LEU 20 -4.157 -2.283 3.239 166 HA LEU 20 HA LEU 20 -1.615 -3.415 2.600 167 1HB LEU 20 1HB LEU 20 -3.499 -1.725 0.948 168 2HB LEU 20 2HB LEU 20 -2.074 -2.531 0.322 169 HG LEU 20 HG LEU 20 -4.212 -4.123 1.686 170 1HD1 LEU 20 1HD1 LEU 20 -4.896 -2.516 -0.372 171 2HD1 LEU 20 2HD1 LEU 20 -4.343 -3.944 -1.246 172 3HD1 LEU 20 3HD1 LEU 20 -5.635 -4.086 -0.056 173 1HD2 LEU 20 1HD2 LEU 20 -1.848 -4.932 0.938 174 2HD2 LEU 20 2HD2 LEU 20 -3.264 -5.936 0.627 175 3HD2 LEU 20 3HD2 LEU 20 -2.577 -4.956 -0.668 176 H GLN 21 H GLN 21 -2.865 -0.202 3.174 177 HA GLN 21 HA GLN 21 -0.683 1.279 2.186 178 1HB GLN 21 1HB GLN 21 -2.995 1.793 3.961 179 2HB GLN 21 2HB GLN 21 -1.627 2.881 4.149 180 1HG GLN 21 1HG GLN 21 -2.060 2.636 1.388 181 2HG GLN 21 2HG GLN 21 -3.648 2.837 2.127 182 2HE2 GLN 21 2HE2 GLN 21 -2.967 4.435 4.285 183 1HE2 GLN 21 1HE2 GLN 21 -2.459 5.980 3.703 184 H LYS 22 H LYS 22 -1.404 0.035 5.446 185 HA LYS 22 HA LYS 22 0.855 1.139 6.707 186 1HB LYS 22 1HB LYS 22 0.490 -0.611 8.437 187 2HB LYS 22 2HB LYS 22 -0.969 0.280 8.030 188 1HG LYS 22 1HG LYS 22 -1.853 -1.528 6.804 189 2HG LYS 22 2HG LYS 22 -0.306 -2.378 6.804 190 1HD LYS 22 1HD LYS 22 -0.934 -1.921 9.499 191 2HD LYS 22 2HD LYS 22 -2.434 -2.458 8.739 192 1HE LYS 22 1HE LYS 22 -0.966 -4.307 7.689 193 2HE LYS 22 2HE LYS 22 0.197 -3.880 8.944 194 1HZ LYS 22 1HZ LYS 22 -2.614 -4.703 9.439 195 2HZ LYS 22 2HZ LYS 22 -1.267 -5.710 9.603 196 3HZ LYS 22 3HZ LYS 22 -1.447 -4.370 10.619 197 H GLU 23 H GLU 23 0.357 -1.929 5.027 198 HA GLU 23 HA GLU 23 2.812 -3.130 5.642 199 1HB GLU 23 1HB GLU 23 0.635 -3.573 3.777 200 2HB GLU 23 2HB GLU 23 2.189 -3.954 3.049 201 1HG GLU 23 1HG GLU 23 2.237 -5.076 5.618 202 2HG GLU 23 2HG GLU 23 0.653 -5.451 4.942 203 H ILE 24 H ILE 24 1.900 -0.951 2.997 204 HA ILE 24 HA ILE 24 4.373 -1.067 1.646 205 HB ILE 24 HB ILE 24 3.600 0.559 0.229 206 1HG1 ILE 24 1HG1 ILE 24 1.655 2.171 1.249 207 2HG1 ILE 24 2HG1 ILE 24 2.657 1.917 2.674 208 1HG2 ILE 24 1HG2 ILE 24 1.723 -1.248 1.067 209 2HG2 ILE 24 2HG2 ILE 24 0.848 0.279 1.118 210 3HG2 ILE 24 3HG2 ILE 24 1.621 -0.244 -0.376 211 1HD1 ILE 24 1HD1 ILE 24 4.340 2.472 0.446 212 2HD1 ILE 24 2HD1 ILE 24 3.078 3.702 0.544 213 3HD1 ILE 24 3HD1 ILE 24 4.120 3.395 1.933 214 H GLU 25 H GLU 25 3.235 0.763 4.379 215 HA GLU 25 HA GLU 25 5.229 2.739 4.478 216 1HB GLU 25 1HB GLU 25 3.107 2.698 5.827 217 2HB GLU 25 2HB GLU 25 3.840 1.464 6.840 218 1HG GLU 25 1HG GLU 25 5.751 3.367 6.923 219 2HG GLU 25 2HG GLU 25 4.307 4.361 6.745 220 H ARG 26 H ARG 26 5.055 -0.519 5.852 221 HA ARG 26 HA ARG 26 7.456 -0.468 7.293 222 1HB ARG 26 1HB ARG 26 5.669 -2.246 7.397 223 2HB ARG 26 2HB ARG 26 6.297 -2.875 5.880 224 1HG ARG 26 1HG ARG 26 8.488 -2.603 7.637 225 2HG ARG 26 2HG ARG 26 7.184 -3.383 8.534 226 1HD ARG 26 1HD ARG 26 7.728 -4.343 5.780 227 2HD ARG 26 2HD ARG 26 8.901 -4.752 7.031 228 HE ARG 26 HE ARG 26 6.184 -5.314 7.776 229 1HH1 ARG 26 1HH1 ARG 26 9.009 -6.521 6.134 230 2HH1 ARG 26 2HH1 ARG 26 8.573 -8.185 6.334 231 1HH2 ARG 26 1HH2 ARG 26 5.600 -7.502 8.044 232 2HH2 ARG 26 2HH2 ARG 26 6.634 -8.744 7.419 233 H HIS 27 H HIS 27 6.804 -1.589 3.971 234 HA HIS 27 HA HIS 27 9.503 -2.173 3.360 235 1HB HIS 27 1HB HIS 27 6.983 -1.853 1.812 236 2HB HIS 27 2HB HIS 27 8.497 -1.737 0.920 237 HD1 HIS 27 HD1 HIS 27 10.160 -3.892 1.356 238 HD2 HIS 27 HD2 HIS 27 6.110 -4.395 2.138 239 HE1 HIS 27 HE1 HIS 27 9.785 -6.379 1.382 240 HE2 HIS 27 HE2 HIS 27 7.326 -6.661 1.857 241 H LYS 28 H LYS 28 7.769 0.772 3.611 242 HA LYS 28 HA LYS 28 9.418 2.314 1.845 243 1HB LYS 28 1HB LYS 28 7.081 2.931 2.349 244 2HB LYS 28 2HB LYS 28 7.525 3.202 4.028 245 1HG LYS 28 1HG LYS 28 9.293 4.754 2.507 246 2HG LYS 28 2HG LYS 28 7.701 4.979 1.785 247 1HD LYS 28 1HD LYS 28 8.581 5.545 4.604 248 2HD LYS 28 2HD LYS 28 7.883 6.655 3.427 249 1HE LYS 28 1HE LYS 28 5.804 5.129 3.557 250 2HE LYS 28 2HE LYS 28 6.531 4.523 5.044 251 1HZ LYS 28 1HZ LYS 28 6.359 7.417 4.762 252 2HZ LYS 28 2HZ LYS 28 4.897 6.594 4.990 253 3HZ LYS 28 3HZ LYS 28 6.137 6.447 6.130 254 H GLN 29 H GLN 29 9.383 1.511 5.248 255 HA GLN 29 HA GLN 29 11.300 3.467 6.045 256 1HB GLN 29 1HB GLN 29 9.728 2.479 7.645 257 2HB GLN 29 2HB GLN 29 10.451 0.897 7.394 258 1HG GLN 29 1HG GLN 29 12.616 1.891 8.219 259 2HG GLN 29 2HG GLN 29 11.679 3.303 8.705 260 2HE2 GLN 29 2HE2 GLN 29 9.422 2.259 9.713 261 1HE2 GLN 29 1HE2 GLN 29 9.762 1.272 11.089 262 H SER 30 H SER 30 11.441 0.074 5.087 263 HA SER 30 HA SER 30 14.207 -0.269 5.659 264 1HB SER 30 1HB SER 30 12.074 -1.823 4.336 265 2HB SER 30 2HB SER 30 13.706 -2.151 3.751 266 HG SER 30 HG SER 30 13.543 -3.473 5.445 267 H ILE 31 H ILE 31 12.399 0.648 2.772 268 HA ILE 31 HA ILE 31 14.682 0.674 1.045 269 HB ILE 31 HB ILE 31 12.433 0.345 0.162 270 1HG1 ILE 31 1HG1 ILE 31 12.507 2.107 -1.656 271 2HG1 ILE 31 2HG1 ILE 31 13.860 2.830 -0.788 272 1HG2 ILE 31 1HG2 ILE 31 11.299 1.867 1.778 273 2HG2 ILE 31 2HG2 ILE 31 11.908 3.232 0.848 274 3HG2 ILE 31 3HG2 ILE 31 10.787 2.091 0.107 275 1HD1 ILE 31 1HD1 ILE 31 14.733 0.305 -0.971 276 2HD1 ILE 31 2HD1 ILE 31 13.734 0.393 -2.421 277 3HD1 ILE 31 3HD1 ILE 31 15.051 1.541 -2.186 278 H LYS 32 H LYS 32 13.190 2.947 3.200 279 HA LYS 32 HA LYS 32 14.478 5.259 2.063 280 1HB LYS 32 1HB LYS 32 12.293 5.376 3.253 281 2HB LYS 32 2HB LYS 32 13.121 4.959 4.748 282 1HG LYS 32 1HG LYS 32 14.490 7.005 4.512 283 2HG LYS 32 2HG LYS 32 13.540 7.435 3.088 284 1HD LYS 32 1HD LYS 32 12.546 7.123 5.918 285 2HD LYS 32 2HD LYS 32 12.662 8.618 4.988 286 1HE LYS 32 1HE LYS 32 11.129 7.175 3.327 287 2HE LYS 32 2HE LYS 32 10.660 6.445 4.862 288 1HZ LYS 32 1HZ LYS 32 10.608 9.110 5.380 289 2HZ LYS 32 2HZ LYS 32 10.015 9.028 3.799 290 3HZ LYS 32 3HZ LYS 32 9.261 8.149 5.033 291 H LYS 33 H LYS 33 15.144 2.925 4.559 292 HA LYS 33 HA LYS 33 17.246 4.441 5.794 293 1HB LYS 33 1HB LYS 33 15.844 2.609 6.889 294 2HB LYS 33 2HB LYS 33 16.835 1.461 6.000 295 1HG LYS 33 1HG LYS 33 17.807 1.589 8.121 296 2HG LYS 33 2HG LYS 33 18.838 2.584 7.090 297 1HD LYS 33 1HD LYS 33 18.256 4.506 8.138 298 2HD LYS 33 2HD LYS 33 16.598 3.973 8.423 299 1HE LYS 33 1HE LYS 33 17.917 2.275 10.038 300 2HE LYS 33 2HE LYS 33 19.014 3.655 10.092 301 1HZ LYS 33 1HZ LYS 33 16.108 3.953 10.559 302 2HZ LYS 33 2HZ LYS 33 17.180 3.576 11.812 303 3HZ LYS 33 3HZ LYS 33 17.351 5.027 10.960 304 H LEU 34 H LEU 34 17.012 1.931 3.344 305 HA LEU 34 HA LEU 34 19.828 1.495 3.142 306 1HB LEU 34 1HB LEU 34 17.657 0.113 2.314 307 2HB LEU 34 2HB LEU 34 18.113 0.894 0.812 308 HG LEU 34 HG LEU 34 19.186 -1.188 0.749 309 1HD1 LEU 34 1HD1 LEU 34 21.083 0.943 1.687 310 2HD1 LEU 34 2HD1 LEU 34 21.632 -0.635 1.123 311 3HD1 LEU 34 3HD1 LEU 34 20.737 0.428 0.036 312 1HD2 LEU 34 1HD2 LEU 34 19.203 -0.906 3.604 313 2HD2 LEU 34 2HD2 LEU 34 19.410 -2.357 2.622 314 3HD2 LEU 34 3HD2 LEU 34 20.807 -1.360 3.028 315 H LYS 35 H LYS 35 17.478 3.515 1.464 316 HA LYS 35 HA LYS 35 19.361 4.427 -0.505 317 1HB LYS 35 1HB LYS 35 16.923 4.328 -0.939 318 2HB LYS 35 2HB LYS 35 16.675 5.583 0.267 319 1HG LYS 35 1HG LYS 35 16.609 6.642 -1.841 320 2HG LYS 35 2HG LYS 35 18.162 7.061 -1.117 321 1HD LYS 35 1HD LYS 35 19.004 6.423 -3.103 322 2HD LYS 35 2HD LYS 35 18.800 4.790 -2.468 323 1HE LYS 35 1HE LYS 35 17.821 4.791 -4.621 324 2HE LYS 35 2HE LYS 35 16.486 4.820 -3.470 325 1HZ LYS 35 1HZ LYS 35 16.889 7.429 -3.870 326 2HZ LYS 35 2HZ LYS 35 17.316 6.823 -5.390 327 3HZ LYS 35 3HZ LYS 35 15.782 6.502 -4.753 328 H GLN 36 H GLN 36 18.350 5.403 2.665 329 HA GLN 36 HA GLN 36 19.429 8.063 2.491 330 1HB GLN 36 1HB GLN 36 18.261 6.378 4.674 331 2HB GLN 36 2HB GLN 36 19.166 7.826 5.093 332 1HG GLN 36 1HG GLN 36 17.652 9.186 3.786 333 2HG GLN 36 2HG GLN 36 16.776 7.748 3.264 334 2HE2 GLN 36 2HE2 GLN 36 15.353 9.696 4.401 335 1HE2 GLN 36 1HE2 GLN 36 14.860 9.260 5.998 336 H SER 37 H SER 37 20.595 4.913 3.341 337 HA SER 37 HA SER 37 22.883 5.780 4.814 338 1HB SER 37 1HB SER 37 23.584 3.484 4.759 339 2HB SER 37 2HB SER 37 21.833 3.492 4.975 340 HG SER 37 HG SER 37 22.360 2.003 3.388 341 H GLU 38 H GLU 38 22.178 5.192 1.444 342 HA GLU 38 HA GLU 38 24.895 5.156 0.564 343 1HB GLU 38 1HB GLU 38 23.157 4.106 -0.771 344 2HB GLU 38 2HB GLU 38 22.321 5.643 -0.946 345 1HG GLU 38 1HG GLU 38 23.674 4.871 -2.924 346 2HG GLU 38 2HG GLU 38 23.985 6.511 -2.357 347 H ASP 39 H ASP 39 22.567 7.630 1.247 348 HA ASP 39 HA ASP 39 24.571 9.658 0.566 349 1HB ASP 39 1HB ASP 39 22.729 9.365 -1.231 350 2HB ASP 39 2HB ASP 39 21.668 10.136 -0.056 351 H ASP 40 H ASP 40 24.002 8.615 3.097 352 HA ASP 40 HA ASP 40 22.114 10.128 4.550 353 1HB ASP 40 1HB ASP 40 23.350 7.948 5.212 354 2HB ASP 40 2HB ASP 40 24.627 9.021 5.776 355 H ASP 41 H ASP 41 22.387 11.904 5.928 356 HA ASP 41 HA ASP 41 24.650 13.632 5.204 357 1HB ASP 41 1HB ASP 41 21.870 14.111 5.355 358 2HB ASP 41 2HB ASP 41 22.603 15.010 6.679 359 H1 ALA 1 H1 ALA 1 32.488 6.766 -4.226 360 H2 ALA 1 H2 ALA 1 32.053 8.081 -3.211 361 H3 ALA 1 H3 ALA 1 33.223 6.939 -2.687 362 HA ALA 1 HA ALA 1 31.733 5.389 -2.191 363 1HB ALA 1 1HB ALA 1 29.941 7.796 -1.985 364 2HB ALA 1 2HB ALA 1 31.311 7.521 -0.909 365 3HB ALA 1 3HB ALA 1 29.976 6.369 -0.947 366 H LEU 2 H LEU 2 31.014 3.952 -3.641 367 HA LEU 2 HA LEU 2 28.694 4.724 -5.282 368 1HB LEU 2 1HB LEU 2 30.636 4.549 -6.725 369 2HB LEU 2 2HB LEU 2 31.012 2.964 -6.078 370 HG LEU 2 HG LEU 2 28.426 2.669 -7.025 371 1HD1 LEU 2 1HD1 LEU 2 29.785 4.807 -8.481 372 2HD1 LEU 2 2HD1 LEU 2 29.203 3.497 -9.508 373 3HD1 LEU 2 3HD1 LEU 2 28.081 4.356 -8.452 374 1HD2 LEU 2 1HD2 LEU 2 30.489 1.181 -7.172 375 2HD2 LEU 2 2HD2 LEU 2 29.381 1.155 -8.543 376 3HD2 LEU 2 3HD2 LEU 2 30.885 2.069 -8.643 377 H LYS 3 H LYS 3 30.396 1.645 -4.784 378 HA LYS 3 HA LYS 3 29.682 -0.391 -4.066 379 1HB LYS 3 1HB LYS 3 27.915 1.406 -2.413 380 2HB LYS 3 2HB LYS 3 27.876 -0.345 -2.259 381 1HG LYS 3 1HG LYS 3 29.297 0.411 -0.554 382 2HG LYS 3 2HG LYS 3 30.363 -0.228 -1.809 383 1HD LYS 3 1HD LYS 3 31.192 1.898 -0.920 384 2HD LYS 3 2HD LYS 3 30.770 2.033 -2.628 385 1HE LYS 3 1HE LYS 3 29.263 3.617 -2.207 386 2HE LYS 3 2HE LYS 3 28.507 2.643 -0.946 387 1HZ LYS 3 1HZ LYS 3 30.379 3.394 0.529 388 2HZ LYS 3 2HZ LYS 3 30.784 4.517 -0.670 389 3HZ LYS 3 3HZ LYS 3 29.274 4.596 0.087 390 H LYS 4 H LYS 4 28.106 -1.995 -4.453 391 HA LYS 4 HA LYS 4 25.768 -1.096 -6.000 392 1HB LYS 4 1HB LYS 4 26.155 -3.311 -7.305 393 2HB LYS 4 2HB LYS 4 27.121 -1.898 -7.707 394 1HG LYS 4 1HG LYS 4 28.825 -2.884 -6.030 395 2HG LYS 4 2HG LYS 4 27.923 -4.383 -6.258 396 1HD LYS 4 1HD LYS 4 29.296 -4.709 -8.003 397 2HD LYS 4 2HD LYS 4 28.267 -3.538 -8.831 398 1HE LYS 4 1HE LYS 4 29.854 -1.782 -7.760 399 2HE LYS 4 2HE LYS 4 30.953 -3.147 -7.572 400 1HZ LYS 4 1HZ LYS 4 29.723 -2.404 -10.166 401 2HZ LYS 4 2HZ LYS 4 31.231 -1.827 -9.660 402 3HZ LYS 4 3HZ LYS 4 30.996 -3.485 -9.899 403 H HIS 5 H HIS 5 26.264 -2.095 -3.163 404 HA HIS 5 HA HIS 5 24.652 -4.534 -3.169 405 1HB HIS 5 1HB HIS 5 25.739 -3.179 -0.713 406 2HB HIS 5 2HB HIS 5 25.343 -4.878 -0.947 407 HD1 HIS 5 HD1 HIS 5 26.993 -5.141 -3.663 408 HD2 HIS 5 HD2 HIS 5 28.393 -3.624 -0.057 409 HE1 HIS 5 HE1 HIS 5 29.492 -5.414 -3.744 410 HE2 HIS 5 HE2 HIS 5 30.319 -4.489 -1.552 411 H HIS 6 H HIS 6 24.612 -1.204 -2.000 412 HA HIS 6 HA HIS 6 22.169 -1.339 -0.611 413 1HB HIS 6 1HB HIS 6 23.704 0.934 -1.858 414 2HB HIS 6 2HB HIS 6 22.148 1.199 -1.079 415 HD1 HIS 6 HD1 HIS 6 23.673 -1.366 0.823 416 HD2 HIS 6 HD2 HIS 6 24.215 2.745 0.545 417 HE1 HIS 6 HE1 HIS 6 24.849 -0.698 2.944 418 HE2 HIS 6 HE2 HIS 6 25.168 1.794 2.754 419 H GLU 7 H GLU 7 22.934 -0.548 -3.977 420 HA GLU 7 HA GLU 7 20.347 0.193 -4.772 421 1HB GLU 7 1HB GLU 7 21.194 -0.565 -7.083 422 2HB GLU 7 2HB GLU 7 22.048 0.747 -6.283 423 1HG GLU 7 1HG GLU 7 23.913 -0.509 -5.898 424 2HG GLU 7 2HG GLU 7 23.017 -2.028 -5.860 425 H ASN 8 H ASN 8 21.780 -2.888 -4.123 426 HA ASN 8 HA ASN 8 19.954 -4.489 -5.607 427 1HB ASN 8 1HB ASN 8 22.197 -4.913 -3.831 428 2HB ASN 8 2HB ASN 8 20.880 -6.013 -3.437 429 2HD2 ASN 8 2HD2 ASN 8 23.617 -5.945 -5.025 430 1HD2 ASN 8 1HD2 ASN 8 23.265 -6.973 -6.367 431 H GLU 9 H GLU 9 20.255 -3.968 -2.079 432 HA GLU 9 HA GLU 9 17.672 -5.052 -1.538 433 1HB GLU 9 1HB GLU 9 19.652 -3.470 0.084 434 2HB GLU 9 2HB GLU 9 18.067 -3.875 0.727 435 1HG GLU 9 1HG GLU 9 19.690 -5.479 1.483 436 2HG GLU 9 2HG GLU 9 18.555 -6.257 0.381 437 H ILE 10 H ILE 10 18.648 -2.117 -2.842 438 HA ILE 10 HA ILE 10 16.440 -0.557 -1.792 439 HB ILE 10 HB ILE 10 18.830 0.046 -3.516 440 1HG1 ILE 10 1HG1 ILE 10 17.792 1.430 -1.044 441 2HG1 ILE 10 2HG1 ILE 10 18.905 0.067 -0.999 442 1HG2 ILE 10 1HG2 ILE 10 16.283 1.423 -3.680 443 2HG2 ILE 10 2HG2 ILE 10 17.597 2.492 -3.189 444 3HG2 ILE 10 3HG2 ILE 10 17.723 1.572 -4.687 445 1HD1 ILE 10 1HD1 ILE 10 20.520 1.383 -2.308 446 2HD1 ILE 10 2HD1 ILE 10 19.409 2.753 -2.257 447 3HD1 ILE 10 3HD1 ILE 10 20.114 2.133 -0.763 448 H SER 11 H SER 11 17.332 -2.397 -4.594 449 HA SER 11 HA SER 11 15.248 -1.299 -6.264 450 1HB SER 11 1HB SER 11 17.459 -3.222 -6.584 451 2HB SER 11 2HB SER 11 16.007 -3.625 -7.497 452 HG SER 11 HG SER 11 16.511 -2.100 -8.834 453 H HIS 12 H HIS 12 15.711 -3.958 -4.074 454 HA HIS 12 HA HIS 12 13.337 -5.350 -4.907 455 1HB HIS 12 1HB HIS 12 14.628 -6.968 -4.006 456 2HB HIS 12 2HB HIS 12 15.585 -5.815 -3.092 457 HD1 HIS 12 HD1 HIS 12 12.535 -7.996 -2.810 458 HD2 HIS 12 HD2 HIS 12 14.918 -5.570 -0.431 459 HE1 HIS 12 HE1 HIS 12 11.830 -8.481 -0.444 460 HE2 HIS 12 HE2 HIS 12 13.289 -7.003 0.984 461 H HIS 13 H HIS 13 14.280 -3.351 -2.082 462 HA HIS 13 HA HIS 13 11.682 -3.434 -0.913 463 1HB HIS 13 1HB HIS 13 13.849 -1.357 -0.554 464 2HB HIS 13 2HB HIS 13 12.428 -1.544 0.462 465 HD1 HIS 13 HD1 HIS 13 12.677 -4.722 0.653 466 HD2 HIS 13 HD2 HIS 13 15.637 -1.919 1.426 467 HE1 HIS 13 HE1 HIS 13 14.287 -5.866 2.214 468 HE2 HIS 13 HE2 HIS 13 16.080 -4.152 2.666 469 H ALA 14 H ALA 14 13.176 -1.544 -3.412 470 HA ALA 14 HA ALA 14 11.380 0.650 -3.382 471 1HB ALA 14 1HB ALA 14 13.321 -0.445 -5.378 472 2HB ALA 14 2HB ALA 14 13.341 1.100 -4.527 473 3HB ALA 14 3HB ALA 14 12.199 0.833 -5.843 474 H LYS 15 H LYS 15 11.495 -2.369 -5.238 475 HA LYS 15 HA LYS 15 9.102 -1.830 -6.690 476 1HB LYS 15 1HB LYS 15 10.898 -3.400 -7.443 477 2HB LYS 15 2HB LYS 15 10.406 -4.506 -6.168 478 1HG LYS 15 1HG LYS 15 8.708 -5.293 -7.369 479 2HG LYS 15 2HG LYS 15 8.176 -3.675 -7.828 480 1HD LYS 15 1HD LYS 15 9.957 -3.619 -9.544 481 2HD LYS 15 2HD LYS 15 10.386 -5.276 -9.117 482 1HE LYS 15 1HE LYS 15 8.835 -4.899 -11.133 483 2HE LYS 15 2HE LYS 15 8.396 -6.140 -9.960 484 1HZ LYS 15 1HZ LYS 15 7.349 -3.407 -9.651 485 2HZ LYS 15 2HZ LYS 15 6.628 -4.456 -10.766 486 3HZ LYS 15 3HZ LYS 15 6.686 -4.872 -9.127 487 H GLU 16 H GLU 16 9.780 -2.987 -3.523 488 HA GLU 16 HA GLU 16 7.297 -4.398 -3.185 489 1HB GLU 16 1HB GLU 16 9.744 -4.068 -1.713 490 2HB GLU 16 2HB GLU 16 8.371 -3.759 -0.658 491 1HG GLU 16 1HG GLU 16 7.842 -5.911 -0.552 492 2HG GLU 16 2HG GLU 16 7.978 -6.115 -2.297 493 H ILE 17 H ILE 17 8.524 -1.169 -2.433 494 HA ILE 17 HA ILE 17 6.171 -0.461 -0.911 495 HB ILE 17 HB ILE 17 8.235 0.600 -0.306 496 1HG1 ILE 17 1HG1 ILE 17 5.972 1.907 -0.408 497 2HG1 ILE 17 2HG1 ILE 17 7.458 2.760 -0.020 498 1HG2 ILE 17 1HG2 ILE 17 8.466 1.088 -3.201 499 2HG2 ILE 17 2HG2 ILE 17 9.064 2.366 -2.144 500 3HG2 ILE 17 3HG2 ILE 17 9.707 0.731 -1.999 501 1HD1 ILE 17 1HD1 ILE 17 7.559 3.355 -2.499 502 2HD1 ILE 17 2HD1 ILE 17 5.886 2.807 -2.571 503 3HD1 ILE 17 3HD1 ILE 17 6.330 4.146 -1.516 504 H GLU 18 H GLU 18 7.320 -0.117 -4.202 505 HA GLU 18 HA GLU 18 5.200 1.679 -4.973 506 1HB GLU 18 1HB GLU 18 7.604 0.561 -6.195 507 2HB GLU 18 2HB GLU 18 6.240 0.604 -7.304 508 1HG GLU 18 1HG GLU 18 6.737 3.052 -5.733 509 2HG GLU 18 2HG GLU 18 7.928 2.644 -6.968 510 H ARG 19 H ARG 19 5.810 -1.758 -4.984 511 HA ARG 19 HA ARG 19 3.620 -2.401 -6.726 512 1HB ARG 19 1HB ARG 19 5.480 -3.927 -6.634 513 2HB ARG 19 2HB ARG 19 5.319 -4.096 -4.891 514 1HG ARG 19 1HG ARG 19 2.869 -4.797 -6.256 515 2HG ARG 19 2HG ARG 19 4.239 -5.750 -6.831 516 1HD ARG 19 1HD ARG 19 4.659 -5.822 -4.159 517 2HD ARG 19 2HD ARG 19 2.898 -5.740 -4.210 518 HE ARG 19 HE ARG 19 2.918 -7.926 -4.825 519 1HH1 ARG 19 1HH1 ARG 19 5.912 -6.480 -5.861 520 2HH1 ARG 19 2HH1 ARG 19 6.549 -7.953 -6.512 521 1HH2 ARG 19 1HH2 ARG 19 3.747 -9.872 -5.678 522 2HH2 ARG 19 2HH2 ARG 19 5.318 -9.882 -6.408 523 H LEU 20 H LEU 20 4.153 -2.288 -3.232 524 HA LEU 20 HA LEU 20 1.608 -3.409 -2.585 525 1HB LEU 20 1HB LEU 20 3.499 -1.729 -0.932 526 2HB LEU 20 2HB LEU 20 2.076 -2.542 -0.308 527 HG LEU 20 HG LEU 20 4.214 -4.123 -1.683 528 1HD1 LEU 20 1HD1 LEU 20 4.890 -2.522 0.389 529 2HD1 LEU 20 2HD1 LEU 20 4.356 -3.967 1.247 530 3HD1 LEU 20 3HD1 LEU 20 5.646 -4.080 0.049 531 1HD2 LEU 20 1HD2 LEU 20 1.855 -4.940 -0.936 532 2HD2 LEU 20 2HD2 LEU 20 3.272 -5.941 -0.625 533 3HD2 LEU 20 3HD2 LEU 20 2.581 -4.964 0.670 534 H GLN 21 H GLN 21 2.865 -0.205 -3.184 535 HA GLN 21 HA GLN 21 0.688 1.282 -2.182 536 1HB GLN 21 1HB GLN 21 3.001 1.792 -3.957 537 2HB GLN 21 2HB GLN 21 1.633 2.879 -4.152 538 1HG GLN 21 1HG GLN 21 2.058 2.649 -1.389 539 2HG GLN 21 2HG GLN 21 3.650 2.843 -2.124 540 2HE2 GLN 21 2HE2 GLN 21 2.966 4.428 -4.298 541 1HE2 GLN 21 1HE2 GLN 21 2.463 5.978 -3.724 542 H LYS 22 H LYS 22 1.407 0.036 -5.440 543 HA LYS 22 HA LYS 22 -0.849 1.137 -6.706 544 1HB LYS 22 1HB LYS 22 -0.483 -0.614 -8.433 545 2HB LYS 22 2HB LYS 22 0.979 0.272 -8.021 546 1HG LYS 22 1HG LYS 22 1.851 -1.541 -6.794 547 2HG LYS 22 2HG LYS 22 0.300 -2.384 -6.795 548 1HD LYS 22 1HD LYS 22 0.928 -1.937 -9.489 549 2HD LYS 22 2HD LYS 22 2.429 -2.470 -8.729 550 1HE LYS 22 1HE LYS 22 0.965 -4.316 -7.671 551 2HE LYS 22 2HE LYS 22 -0.200 -3.895 -8.926 552 1HZ LYS 22 1HZ LYS 22 2.612 -4.717 -9.420 553 2HZ LYS 22 2HZ LYS 22 1.264 -5.727 -9.579 554 3HZ LYS 22 3HZ LYS 22 1.443 -4.390 -10.600 555 H GLU 23 H GLU 23 -0.359 -1.928 -5.018 556 HA GLU 23 HA GLU 23 -2.813 -3.126 -5.635 557 1HB GLU 23 1HB GLU 23 -0.638 -3.570 -3.767 558 2HB GLU 23 2HB GLU 23 -2.193 -3.945 -3.038 559 1HG GLU 23 1HG GLU 23 -2.249 -5.077 -5.600 560 2HG GLU 23 2HG GLU 23 -0.660 -5.447 -4.933 561 H ILE 24 H ILE 24 -1.899 -0.953 -2.983 562 HA ILE 24 HA ILE 24 -4.380 -1.064 -1.644 563 HB ILE 24 HB ILE 24 -3.616 0.565 -0.224 564 1HG1 ILE 24 1HG1 ILE 24 -1.646 2.158 -1.239 565 2HG1 ILE 24 2HG1 ILE 24 -2.654 1.914 -2.663 566 1HG2 ILE 24 1HG2 ILE 24 -1.719 -1.242 -1.075 567 2HG2 ILE 24 2HG2 ILE 24 -0.855 0.293 -1.040 568 3HG2 ILE 24 3HG2 ILE 24 -1.676 -0.290 0.403 569 1HD1 ILE 24 1HD1 ILE 24 -4.341 2.478 -0.451 570 2HD1 ILE 24 2HD1 ILE 24 -3.060 3.691 -0.516 571 3HD1 ILE 24 3HD1 ILE 24 -4.089 3.417 -1.923 572 H GLU 25 H GLU 25 -3.231 0.751 -4.380 573 HA GLU 25 HA GLU 25 -5.212 2.742 -4.479 574 1HB GLU 25 1HB GLU 25 -3.091 2.701 -5.825 575 2HB GLU 25 2HB GLU 25 -3.818 1.459 -6.836 576 1HG GLU 25 1HG GLU 25 -5.734 3.362 -6.928 577 2HG GLU 25 2HG GLU 25 -4.285 4.355 -6.765 578 H ARG 26 H ARG 26 -5.052 -0.514 -5.859 579 HA ARG 26 HA ARG 26 -7.447 -0.451 -7.304 580 1HB ARG 26 1HB ARG 26 -5.681 -2.241 -7.415 581 2HB ARG 26 2HB ARG 26 -6.289 -2.856 -5.884 582 1HG ARG 26 1HG ARG 26 -8.505 -2.598 -7.613 583 2HG ARG 26 2HG ARG 26 -7.214 -3.383 -8.524 584 1HD ARG 26 1HD ARG 26 -7.721 -4.324 -5.755 585 2HD ARG 26 2HD ARG 26 -8.905 -4.746 -6.991 586 HE ARG 26 HE ARG 26 -6.190 -5.305 -7.753 587 1HH1 ARG 26 1HH1 ARG 26 -9.008 -6.509 -6.097 588 2HH1 ARG 26 2HH1 ARG 26 -8.569 -8.173 -6.290 589 1HH2 ARG 26 1HH2 ARG 26 -5.603 -7.494 -8.013 590 2HH2 ARG 26 2HH2 ARG 26 -6.634 -8.734 -7.379 591 H HIS 27 H HIS 27 -6.803 -1.536 -3.974 592 HA HIS 27 HA HIS 27 -9.500 -2.132 -3.364 593 1HB HIS 27 1HB HIS 27 -6.987 -1.783 -1.813 594 2HB HIS 27 2HB HIS 27 -8.504 -1.668 -0.926 595 HD1 HIS 27 HD1 HIS 27 -10.147 -3.836 -1.310 596 HD2 HIS 27 HD2 HIS 27 -6.107 -4.326 -2.154 597 HE1 HIS 27 HE1 HIS 27 -9.759 -6.321 -1.323 598 HE2 HIS 27 HE2 HIS 27 -7.308 -6.595 -1.838 599 H LYS 28 H LYS 28 -7.762 0.829 -3.586 600 HA LYS 28 HA LYS 28 -9.454 2.357 -1.854 601 1HB LYS 28 1HB LYS 28 -7.228 3.162 -2.197 602 2HB LYS 28 2HB LYS 28 -7.422 3.128 -3.945 603 1HG LYS 28 1HG LYS 28 -9.201 4.890 -3.669 604 2HG LYS 28 2HG LYS 28 -8.696 5.017 -1.985 605 1HD LYS 28 1HD LYS 28 -7.690 6.697 -3.575 606 2HD LYS 28 2HD LYS 28 -6.547 5.790 -2.587 607 1HE LYS 28 1HE LYS 28 -5.729 4.615 -4.373 608 2HE LYS 28 2HE LYS 28 -7.239 4.729 -5.277 609 1HZ LYS 28 1HZ LYS 28 -6.414 7.308 -5.087 610 2HZ LYS 28 2HZ LYS 28 -4.960 6.469 -5.303 611 3HZ LYS 28 3HZ LYS 28 -6.206 6.308 -6.435 612 H GLN 29 H GLN 29 -9.372 1.567 -5.257 613 HA GLN 29 HA GLN 29 -11.321 3.477 -6.071 614 1HB GLN 29 1HB GLN 29 -9.731 2.491 -7.659 615 2HB GLN 29 2HB GLN 29 -10.440 0.904 -7.396 616 1HG GLN 29 1HG GLN 29 -12.614 1.877 -8.232 617 2HG GLN 29 2HG GLN 29 -11.681 3.286 -8.736 618 2HE2 GLN 29 2HE2 GLN 29 -9.417 2.234 -9.724 619 1HE2 GLN 29 1HE2 GLN 29 -9.752 1.229 -11.088 620 H SER 30 H SER 30 -11.420 0.110 -5.038 621 HA SER 30 HA SER 30 -14.183 -0.279 -5.625 622 1HB SER 30 1HB SER 30 -12.030 -1.800 -4.302 623 2HB SER 30 2HB SER 30 -13.654 -2.145 -3.709 624 HG SER 30 HG SER 30 -13.536 -3.461 -5.396 625 H ILE 31 H ILE 31 -12.393 0.613 -2.704 626 HA ILE 31 HA ILE 31 -14.709 0.647 -1.023 627 HB ILE 31 HB ILE 31 -12.542 0.249 -0.048 628 1HG1 ILE 31 1HG1 ILE 31 -12.489 2.158 1.668 629 2HG1 ILE 31 2HG1 ILE 31 -13.872 2.812 0.793 630 1HG2 ILE 31 1HG2 ILE 31 -11.634 2.159 -1.795 631 2HG2 ILE 31 2HG2 ILE 31 -11.491 2.952 -0.228 632 3HG2 ILE 31 3HG2 ILE 31 -10.694 1.406 -0.509 633 1HD1 ILE 31 1HD1 ILE 31 -13.841 0.010 1.847 634 2HD1 ILE 31 2HD1 ILE 31 -14.334 1.382 2.837 635 3HD1 ILE 31 3HD1 ILE 31 -15.225 0.993 1.365 636 H LYS 32 H LYS 32 -13.210 2.896 -3.174 637 HA LYS 32 HA LYS 32 -14.457 5.229 -2.021 638 1HB LYS 32 1HB LYS 32 -12.275 5.354 -3.197 639 2HB LYS 32 2HB LYS 32 -13.078 4.905 -4.694 640 1HG LYS 32 1HG LYS 32 -14.475 6.947 -4.494 641 2HG LYS 32 2HG LYS 32 -13.516 7.411 -3.087 642 1HD LYS 32 1HD LYS 32 -12.538 7.035 -5.915 643 2HD LYS 32 2HD LYS 32 -12.660 8.554 -5.024 644 1HE LYS 32 1HE LYS 32 -11.111 7.146 -3.337 645 2HE LYS 32 2HE LYS 32 -10.634 6.411 -4.866 646 1HZ LYS 32 1HZ LYS 32 -10.624 9.075 -5.403 647 2HZ LYS 32 2HZ LYS 32 -10.022 9.009 -3.823 648 3HZ LYS 32 3HZ LYS 32 -9.261 8.135 -5.058 649 H LYS 33 H LYS 33 -15.110 2.929 -4.564 650 HA LYS 33 HA LYS 33 -17.207 4.454 -5.785 651 1HB LYS 33 1HB LYS 33 -15.822 2.635 -6.901 652 2HB LYS 33 2HB LYS 33 -16.787 1.473 -6.001 653 1HG LYS 33 1HG LYS 33 -17.798 1.586 -8.098 654 2HG LYS 33 2HG LYS 33 -18.818 2.589 -7.063 655 1HD LYS 33 1HD LYS 33 -18.262 4.498 -8.143 656 2HD LYS 33 2HD LYS 33 -16.601 3.977 -8.428 657 1HE LYS 33 1HE LYS 33 -17.916 2.250 -10.019 658 2HE LYS 33 2HE LYS 33 -19.018 3.625 -10.086 659 1HZ LYS 33 1HZ LYS 33 -16.114 3.921 -10.567 660 2HZ LYS 33 2HZ LYS 33 -17.190 3.535 -11.812 661 3HZ LYS 33 3HZ LYS 33 -17.358 4.994 -10.971 662 H LEU 34 H LEU 34 -16.995 1.925 -3.353 663 HA LEU 34 HA LEU 34 -19.811 1.496 -3.158 664 1HB LEU 34 1HB LEU 34 -17.652 0.107 -2.330 665 2HB LEU 34 2HB LEU 34 -18.094 0.894 -0.827 666 HG LEU 34 HG LEU 34 -19.176 -1.183 -0.753 667 1HD1 LEU 34 1HD1 LEU 34 -21.070 0.954 -1.687 668 2HD1 LEU 34 2HD1 LEU 34 -21.620 -0.618 -1.109 669 3HD1 LEU 34 3HD1 LEU 34 -20.713 0.448 -0.036 670 1HD2 LEU 34 1HD2 LEU 34 -19.213 -0.906 -3.609 671 2HD2 LEU 34 2HD2 LEU 34 -19.418 -2.353 -2.624 672 3HD2 LEU 34 3HD2 LEU 34 -20.814 -1.352 -3.021 673 H LYS 35 H LYS 35 -17.464 3.502 -1.451 674 HA LYS 35 HA LYS 35 -19.358 4.419 0.502 675 1HB LYS 35 1HB LYS 35 -16.930 4.325 0.962 676 2HB LYS 35 2HB LYS 35 -16.662 5.561 -0.259 677 1HG LYS 35 1HG LYS 35 -16.608 6.659 1.823 678 2HG LYS 35 2HG LYS 35 -18.163 7.064 1.095 679 1HD LYS 35 1HD LYS 35 -18.991 6.463 3.099 680 2HD LYS 35 2HD LYS 35 -18.807 4.821 2.478 681 1HE LYS 35 1HE LYS 35 -17.812 4.821 4.619 682 2HE LYS 35 2HE LYS 35 -16.480 4.848 3.464 683 1HZ LYS 35 1HZ LYS 35 -16.878 7.457 3.862 684 2HZ LYS 35 2HZ LYS 35 -17.304 6.855 5.383 685 3HZ LYS 35 3HZ LYS 35 -15.771 6.530 4.744 686 H GLN 36 H GLN 36 -18.356 5.386 -2.668 687 HA GLN 36 HA GLN 36 -19.423 8.052 -2.496 688 1HB GLN 36 1HB GLN 36 -18.260 6.361 -4.676 689 2HB GLN 36 2HB GLN 36 -19.165 7.807 -5.099 690 1HG GLN 36 1HG GLN 36 -17.652 9.176 -3.804 691 2HG GLN 36 2HG GLN 36 -16.777 7.742 -3.269 692 2HE2 GLN 36 2HE2 GLN 36 -15.364 9.694 -4.428 693 1HE2 GLN 36 1HE2 GLN 36 -14.864 9.239 -6.019 694 H SER 37 H SER 37 -20.597 4.906 -3.346 695 HA SER 37 HA SER 37 -22.886 5.776 -4.814 696 1HB SER 37 1HB SER 37 -23.590 3.480 -4.755 697 2HB SER 37 2HB SER 37 -21.841 3.486 -4.972 698 HG SER 37 HG SER 37 -22.357 2.002 -3.384 699 H GLU 38 H GLU 38 -22.174 5.198 -1.445 700 HA GLU 38 HA GLU 38 -24.890 5.165 -0.561 701 1HB GLU 38 1HB GLU 38 -23.151 4.118 0.774 702 2HB GLU 38 2HB GLU 38 -22.314 5.654 0.944 703 1HG GLU 38 1HG GLU 38 -23.665 4.885 2.926 704 2HG GLU 38 2HG GLU 38 -23.973 6.525 2.358 705 H ASP 39 H ASP 39 -22.571 7.636 -1.267 706 HA ASP 39 HA ASP 39 -24.570 9.665 -0.584 707 1HB ASP 39 1HB ASP 39 -22.726 9.381 1.212 708 2HB ASP 39 2HB ASP 39 -21.666 10.146 0.033 709 H ASP 40 H ASP 40 -23.998 8.612 -3.112 710 HA ASP 40 HA ASP 40 -22.116 10.123 -4.572 711 1HB ASP 40 1HB ASP 40 -23.356 7.940 -5.224 712 2HB ASP 40 2HB ASP 40 -24.629 9.015 -5.794 713 H ASP 41 H ASP 41 -22.391 11.892 -5.959 714 HA ASP 41 HA ASP 41 -24.652 13.624 -5.235 715 1HB ASP 41 1HB ASP 41 -21.872 14.102 -5.393 716 2HB ASP 41 2HB ASP 41 -22.607 14.997 -6.719 No H/Q in entry = 716 Start of MODEL 26 1 H1 ALA 1 H1 ALA 1 -34.683 6.807 3.763 2 H2 ALA 1 H2 ALA 1 -33.633 7.885 2.937 3 H3 ALA 1 H3 ALA 1 -34.919 7.122 2.094 4 HA ALA 1 HA ALA 1 -33.869 5.208 1.886 5 1HB ALA 1 1HB ALA 1 -31.300 6.581 2.418 6 2HB ALA 1 2HB ALA 1 -32.373 7.307 1.222 7 3HB ALA 1 3HB ALA 1 -31.820 5.645 1.015 8 H LEU 2 H LEU 2 -33.711 3.464 3.115 9 HA LEU 2 HA LEU 2 -32.134 3.620 5.595 10 1HB LEU 2 1HB LEU 2 -33.812 1.935 6.524 11 2HB LEU 2 2HB LEU 2 -34.320 3.610 6.417 12 HG LEU 2 HG LEU 2 -34.988 1.764 4.168 13 1HD1 LEU 2 1HD1 LEU 2 -35.849 1.405 6.905 14 2HD1 LEU 2 2HD1 LEU 2 -37.208 1.736 5.831 15 3HD1 LEU 2 3HD1 LEU 2 -36.123 0.386 5.491 16 1HD2 LEU 2 1HD2 LEU 2 -35.427 4.390 4.560 17 2HD2 LEU 2 2HD2 LEU 2 -36.485 3.354 3.602 18 3HD2 LEU 2 3HD2 LEU 2 -36.893 3.722 5.277 19 H LYS 3 H LYS 3 -30.359 2.506 4.998 20 HA LYS 3 HA LYS 3 -30.751 -0.293 4.217 21 1HB LYS 3 1HB LYS 3 -29.769 1.712 2.488 22 2HB LYS 3 2HB LYS 3 -28.380 0.743 2.960 23 1HG LYS 3 1HG LYS 3 -29.226 -0.228 0.990 24 2HG LYS 3 2HG LYS 3 -29.722 -1.288 2.310 25 1HD LYS 3 1HD LYS 3 -31.571 -0.982 0.787 26 2HD LYS 3 2HD LYS 3 -31.934 -0.185 2.319 27 1HE LYS 3 1HE LYS 3 -30.616 1.707 0.690 28 2HE LYS 3 2HE LYS 3 -31.837 0.925 -0.314 29 1HZ LYS 3 1HZ LYS 3 -33.129 1.396 2.032 30 2HZ LYS 3 2HZ LYS 3 -32.169 2.777 1.846 31 3HZ LYS 3 3HZ LYS 3 -33.257 2.333 0.630 32 H LYS 4 H LYS 4 -27.859 1.738 4.554 33 HA LYS 4 HA LYS 4 -26.089 1.657 5.981 34 1HB LYS 4 1HB LYS 4 -28.347 0.939 7.590 35 2HB LYS 4 2HB LYS 4 -26.964 -0.027 8.085 36 1HG LYS 4 1HG LYS 4 -25.650 2.063 8.315 37 2HG LYS 4 2HG LYS 4 -27.118 2.976 7.956 38 1HD LYS 4 1HD LYS 4 -28.199 1.824 9.904 39 2HD LYS 4 2HD LYS 4 -26.617 1.152 10.304 40 1HE LYS 4 1HE LYS 4 -27.132 4.104 10.016 41 2HE LYS 4 2HE LYS 4 -27.275 3.247 11.550 42 1HZ LYS 4 1HZ LYS 4 -24.807 2.652 10.276 43 2HZ LYS 4 2HZ LYS 4 -24.987 4.323 10.465 44 3HZ LYS 4 3HZ LYS 4 -25.088 3.303 11.812 45 H HIS 5 H HIS 5 -26.985 -0.718 4.122 46 HA HIS 5 HA HIS 5 -25.360 -2.835 5.303 47 1HB HIS 5 1HB HIS 5 -26.272 -4.296 3.670 48 2HB HIS 5 2HB HIS 5 -27.609 -3.291 4.210 49 HD1 HIS 5 HD1 HIS 5 -26.679 -4.763 1.281 50 HD2 HIS 5 HD2 HIS 5 -27.429 -0.788 2.230 51 HE1 HIS 5 HE1 HIS 5 -27.236 -3.645 -0.901 52 HE2 HIS 5 HE2 HIS 5 -27.687 -1.238 -0.304 53 H HIS 6 H HIS 6 -25.377 -0.557 2.645 54 HA HIS 6 HA HIS 6 -23.175 -1.610 1.224 55 1HB HIS 6 1HB HIS 6 -24.579 1.031 1.305 56 2HB HIS 6 2HB HIS 6 -23.024 0.922 0.486 57 HD1 HIS 6 HD1 HIS 6 -24.766 -2.204 0.079 58 HD2 HIS 6 HD2 HIS 6 -24.868 1.514 -1.773 59 HE1 HIS 6 HE1 HIS 6 -25.885 -2.589 -2.140 60 HE2 HIS 6 HE2 HIS 6 -25.937 -0.326 -3.245 61 H GLU 7 H GLU 7 -23.448 0.327 4.084 62 HA GLU 7 HA GLU 7 -20.799 1.376 4.062 63 1HB GLU 7 1HB GLU 7 -23.110 1.670 5.656 64 2HB GLU 7 2HB GLU 7 -21.842 1.092 6.729 65 1HG GLU 7 1HG GLU 7 -21.346 3.380 4.870 66 2HG GLU 7 2HG GLU 7 -22.160 3.625 6.415 67 H ASN 8 H ASN 8 -22.322 -1.480 5.468 68 HA ASN 8 HA ASN 8 -20.125 -2.361 6.989 69 1HB ASN 8 1HB ASN 8 -22.500 -3.770 5.789 70 2HB ASN 8 2HB ASN 8 -21.258 -4.660 6.664 71 2HD2 ASN 8 2HD2 ASN 8 -24.123 -2.989 6.924 72 1HD2 ASN 8 1HD2 ASN 8 -24.143 -2.754 8.636 73 H GLU 9 H GLU 9 -21.147 -3.102 3.670 74 HA GLU 9 HA GLU 9 -19.119 -4.946 3.080 75 1HB GLU 9 1HB GLU 9 -20.923 -3.205 1.462 76 2HB GLU 9 2HB GLU 9 -19.547 -3.943 0.652 77 1HG GLU 9 1HG GLU 9 -21.038 -5.589 0.291 78 2HG GLU 9 2HG GLU 9 -20.505 -6.101 1.892 79 H ILE 10 H ILE 10 -19.247 -1.422 2.546 80 HA ILE 10 HA ILE 10 -16.585 -1.333 1.531 81 HB ILE 10 HB ILE 10 -16.737 1.098 1.758 82 1HG1 ILE 10 1HG1 ILE 10 -19.354 0.483 3.139 83 2HG1 ILE 10 2HG1 ILE 10 -17.968 1.333 3.816 84 1HG2 ILE 10 1HG2 ILE 10 -17.801 -0.243 -0.125 85 2HG2 ILE 10 2HG2 ILE 10 -19.344 0.092 0.663 86 3HG2 ILE 10 3HG2 ILE 10 -18.344 1.423 0.082 87 1HD1 ILE 10 1HD1 ILE 10 -18.851 2.642 1.421 88 2HD1 ILE 10 2HD1 ILE 10 -20.196 2.440 2.546 89 3HD1 ILE 10 3HD1 ILE 10 -18.731 3.270 3.067 90 H SER 11 H SER 11 -17.854 -1.703 4.656 91 HA SER 11 HA SER 11 -15.822 -0.357 6.123 92 1HB SER 11 1HB SER 11 -16.826 -1.227 8.016 93 2HB SER 11 2HB SER 11 -18.169 -1.368 6.882 94 HG SER 11 HG SER 11 -18.049 -3.358 7.694 95 H HIS 12 H HIS 12 -16.311 -3.630 4.896 96 HA HIS 12 HA HIS 12 -13.910 -4.694 6.001 97 1HB HIS 12 1HB HIS 12 -15.013 -6.563 5.429 98 2HB HIS 12 2HB HIS 12 -16.147 -5.644 4.457 99 HD1 HIS 12 HD1 HIS 12 -12.744 -7.301 4.106 100 HD2 HIS 12 HD2 HIS 12 -16.011 -6.175 1.798 101 HE1 HIS 12 HE1 HIS 12 -12.292 -8.221 1.809 102 HE2 HIS 12 HE2 HIS 12 -14.283 -7.529 0.427 103 H HIS 13 H HIS 13 -14.787 -3.362 2.824 104 HA HIS 13 HA HIS 13 -12.318 -3.789 1.554 105 1HB HIS 13 1HB HIS 13 -14.197 -1.473 1.071 106 2HB HIS 13 2HB HIS 13 -13.005 -2.115 -0.050 107 HD1 HIS 13 HD1 HIS 13 -13.883 -5.167 0.563 108 HD2 HIS 13 HD2 HIS 13 -16.298 -2.012 -0.640 109 HE1 HIS 13 HE1 HIS 13 -15.882 -6.235 -0.533 110 HE2 HIS 13 HE2 HIS 13 -17.335 -4.305 -1.256 111 H ALA 14 H ALA 14 -13.372 -1.428 3.866 112 HA ALA 14 HA ALA 14 -11.345 0.502 3.417 113 1HB ALA 14 1HB ALA 14 -12.055 0.628 6.127 114 2HB ALA 14 2HB ALA 14 -13.509 0.109 5.274 115 3HB ALA 14 3HB ALA 14 -12.697 1.602 4.805 116 H LYS 15 H LYS 15 -11.668 -2.193 5.701 117 HA LYS 15 HA LYS 15 -9.106 -1.828 6.875 118 1HB LYS 15 1HB LYS 15 -11.051 -4.125 6.800 119 2HB LYS 15 2HB LYS 15 -9.475 -4.288 7.563 120 1HG LYS 15 1HG LYS 15 -10.072 -3.073 9.353 121 2HG LYS 15 2HG LYS 15 -11.015 -1.931 8.394 122 1HD LYS 15 1HD LYS 15 -12.778 -2.925 9.380 123 2HD LYS 15 2HD LYS 15 -12.524 -4.172 8.157 124 1HE LYS 15 1HE LYS 15 -10.758 -4.758 10.262 125 2HE LYS 15 2HE LYS 15 -12.300 -4.351 11.012 126 1HZ LYS 15 1HZ LYS 15 -12.826 -6.001 8.825 127 2HZ LYS 15 2HZ LYS 15 -11.570 -6.721 9.700 128 3HZ LYS 15 3HZ LYS 15 -13.033 -6.351 10.467 129 H GLU 16 H GLU 16 -10.140 -3.106 3.874 130 HA GLU 16 HA GLU 16 -7.955 -4.910 3.470 131 1HB GLU 16 1HB GLU 16 -9.982 -3.726 1.572 132 2HB GLU 16 2HB GLU 16 -8.771 -4.908 1.094 133 1HG GLU 16 1HG GLU 16 -10.603 -5.511 3.367 134 2HG GLU 16 2HG GLU 16 -11.179 -5.668 1.708 135 H ILE 17 H ILE 17 -8.743 -1.631 2.266 136 HA ILE 17 HA ILE 17 -6.277 -1.408 0.816 137 HB ILE 17 HB ILE 17 -8.201 -0.118 0.098 138 1HG1 ILE 17 1HG1 ILE 17 -5.909 1.548 1.147 139 2HG1 ILE 17 2HG1 ILE 17 -6.082 0.855 -0.463 140 1HG2 ILE 17 1HG2 ILE 17 -8.491 0.417 2.861 141 2HG2 ILE 17 2HG2 ILE 17 -8.300 1.961 2.030 142 3HG2 ILE 17 3HG2 ILE 17 -9.576 0.848 1.538 143 1HD1 ILE 17 1HD1 ILE 17 -8.184 2.346 -0.614 144 2HD1 ILE 17 2HD1 ILE 17 -7.456 3.216 0.735 145 3HD1 ILE 17 3HD1 ILE 17 -6.591 3.079 -0.795 146 H GLU 18 H GLU 18 -7.328 -0.712 4.056 147 HA GLU 18 HA GLU 18 -5.068 0.950 4.705 148 1HB GLU 18 1HB GLU 18 -7.497 0.763 5.803 149 2HB GLU 18 2HB GLU 18 -6.658 -0.384 6.838 150 1HG GLU 18 1HG GLU 18 -5.221 2.127 6.462 151 2HG GLU 18 2HG GLU 18 -6.796 2.311 7.233 152 H ARG 19 H ARG 19 -5.945 -2.422 4.921 153 HA ARG 19 HA ARG 19 -3.844 -3.211 6.670 154 1HB ARG 19 1HB ARG 19 -5.820 -4.600 6.402 155 2HB ARG 19 2HB ARG 19 -5.482 -4.804 4.689 156 1HG ARG 19 1HG ARG 19 -3.236 -5.812 5.530 157 2HG ARG 19 2HG ARG 19 -4.117 -6.018 7.045 158 1HD ARG 19 1HD ARG 19 -5.909 -7.181 5.712 159 2HD ARG 19 2HD ARG 19 -4.802 -7.153 4.341 160 HE ARG 19 HE ARG 19 -3.583 -8.300 6.640 161 1HH1 ARG 19 1HH1 ARG 19 -5.825 -8.958 4.060 162 2HH1 ARG 19 2HH1 ARG 19 -5.542 -10.667 4.074 163 1HH2 ARG 19 1HH2 ARG 19 -3.201 -10.549 6.670 164 2HH2 ARG 19 2HH2 ARG 19 -4.051 -11.572 5.559 165 H LEU 20 H LEU 20 -4.241 -3.218 3.135 166 HA LEU 20 HA LEU 20 -1.726 -4.390 2.583 167 1HB LEU 20 1HB LEU 20 -3.278 -2.514 0.802 168 2HB LEU 20 2HB LEU 20 -2.086 -3.701 0.308 169 HG LEU 20 HG LEU 20 -4.496 -4.690 1.742 170 1HD1 LEU 20 1HD1 LEU 20 -5.381 -3.058 0.118 171 2HD1 LEU 20 2HD1 LEU 20 -4.535 -3.916 -1.170 172 3HD1 LEU 20 3HD1 LEU 20 -5.822 -4.720 -0.272 173 1HD2 LEU 20 1HD2 LEU 20 -2.416 -5.687 -0.070 174 2HD2 LEU 20 2HD2 LEU 20 -3.322 -6.522 1.193 175 3HD2 LEU 20 3HD2 LEU 20 -4.039 -6.292 -0.401 176 H GLN 21 H GLN 21 -2.834 -1.074 2.986 177 HA GLN 21 HA GLN 21 -0.495 0.230 2.131 178 1HB GLN 21 1HB GLN 21 -2.543 1.471 2.396 179 2HB GLN 21 2HB GLN 21 -2.625 1.063 4.104 180 1HG GLN 21 1HG GLN 21 -0.508 2.341 4.431 181 2HG GLN 21 2HG GLN 21 -0.637 2.868 2.753 182 2HE2 GLN 21 2HE2 GLN 21 -3.012 2.500 5.363 183 1HE2 GLN 21 1HE2 GLN 21 -3.596 4.123 5.292 184 H LYS 22 H LYS 22 -1.413 -1.211 5.193 185 HA LYS 22 HA LYS 22 0.647 -0.113 6.775 186 1HB LYS 22 1HB LYS 22 -1.364 -1.260 7.680 187 2HB LYS 22 2HB LYS 22 -0.724 -2.790 7.097 188 1HG LYS 22 1HG LYS 22 1.365 -1.917 8.564 189 2HG LYS 22 2HG LYS 22 0.019 -1.203 9.454 190 1HD LYS 22 1HD LYS 22 0.343 -4.117 8.741 191 2HD LYS 22 2HD LYS 22 0.561 -3.404 10.341 192 1HE LYS 22 1HE LYS 22 -1.877 -2.563 10.003 193 2HE LYS 22 2HE LYS 22 -1.956 -3.830 8.780 194 1HZ LYS 22 1HZ LYS 22 -1.303 -5.438 10.481 195 2HZ LYS 22 2HZ LYS 22 -1.283 -4.213 11.648 196 3HZ LYS 22 3HZ LYS 22 -2.737 -4.644 10.899 197 H GLU 23 H GLU 23 0.407 -3.225 5.064 198 HA GLU 23 HA GLU 23 2.924 -4.224 5.723 199 1HB GLU 23 1HB GLU 23 1.020 -5.429 4.549 200 2HB GLU 23 2HB GLU 23 1.563 -4.657 3.065 201 1HG GLU 23 1HG GLU 23 2.611 -6.689 2.939 202 2HG GLU 23 2HG GLU 23 3.863 -5.695 3.681 203 H ILE 24 H ILE 24 1.945 -2.124 3.043 204 HA ILE 24 HA ILE 24 4.469 -2.070 1.775 205 HB ILE 24 HB ILE 24 3.620 -0.554 0.296 206 1HG1 ILE 24 1HG1 ILE 24 1.562 0.979 1.234 207 2HG1 ILE 24 2HG1 ILE 24 2.568 0.836 2.674 208 1HG2 ILE 24 1HG2 ILE 24 1.820 -2.434 1.130 209 2HG2 ILE 24 2HG2 ILE 24 0.864 -0.953 1.134 210 3HG2 ILE 24 3HG2 ILE 24 1.696 -1.461 -0.332 211 1HD1 ILE 24 1HD1 ILE 24 4.217 1.408 0.414 212 2HD1 ILE 24 2HD1 ILE 24 2.896 2.576 0.503 213 3HD1 ILE 24 3HD1 ILE 24 3.969 2.351 1.885 214 H GLU 25 H GLU 25 3.105 -0.365 4.470 215 HA GLU 25 HA GLU 25 4.888 1.793 4.638 216 1HB GLU 25 1HB GLU 25 2.726 1.376 5.964 217 2HB GLU 25 2HB GLU 25 3.715 0.393 7.034 218 1HG GLU 25 1HG GLU 25 5.212 2.566 7.068 219 2HG GLU 25 2HG GLU 25 3.683 3.333 6.639 220 H ARG 26 H ARG 26 5.009 -1.460 6.049 221 HA ARG 26 HA ARG 26 7.401 -1.164 7.471 222 1HB ARG 26 1HB ARG 26 5.995 -3.088 7.842 223 2HB ARG 26 2HB ARG 26 6.175 -3.601 6.170 224 1HG ARG 26 1HG ARG 26 8.654 -3.830 6.664 225 2HG ARG 26 2HG ARG 26 8.219 -3.662 8.366 226 1HD ARG 26 1HD ARG 26 6.793 -5.606 8.236 227 2HD ARG 26 2HD ARG 26 7.075 -5.736 6.500 228 HE ARG 26 HE ARG 26 9.525 -5.837 7.916 229 1HH1 ARG 26 1HH1 ARG 26 6.700 -7.734 7.176 230 2HH1 ARG 26 2HH1 ARG 26 7.522 -9.253 7.322 231 1HH2 ARG 26 1HH2 ARG 26 10.617 -7.831 8.112 232 2HH2 ARG 26 2HH2 ARG 26 9.749 -9.307 7.856 233 H HIS 27 H HIS 27 6.797 -2.240 4.140 234 HA HIS 27 HA HIS 27 9.516 -2.704 3.500 235 1HB HIS 27 1HB HIS 27 6.974 -2.822 2.158 236 2HB HIS 27 2HB HIS 27 8.149 -2.004 1.132 237 HD1 HIS 27 HD1 HIS 27 10.567 -3.450 1.048 238 HD2 HIS 27 HD2 HIS 27 7.031 -5.494 1.815 239 HE1 HIS 27 HE1 HIS 27 11.051 -5.858 0.506 240 HE2 HIS 27 HE2 HIS 27 8.897 -7.077 0.978 241 H LYS 28 H LYS 28 7.638 0.176 3.768 242 HA LYS 28 HA LYS 28 9.352 1.740 2.067 243 1HB LYS 28 1HB LYS 28 7.855 3.455 2.310 244 2HB LYS 28 2HB LYS 28 6.807 2.097 2.669 245 1HG LYS 28 1HG LYS 28 6.243 3.171 4.527 246 2HG LYS 28 2HG LYS 28 7.856 2.815 5.139 247 1HD LYS 28 1HD LYS 28 8.634 4.927 4.019 248 2HD LYS 28 2HD LYS 28 6.937 5.296 3.703 249 1HE LYS 28 1HE LYS 28 7.605 4.577 6.483 250 2HE LYS 28 2HE LYS 28 8.272 6.103 5.904 251 1HZ LYS 28 1HZ LYS 28 5.531 5.800 5.176 252 2HZ LYS 28 2HZ LYS 28 5.738 5.690 6.852 253 3HZ LYS 28 3HZ LYS 28 6.285 7.058 6.020 254 H GLN 29 H GLN 29 9.211 0.858 5.395 255 HA GLN 29 HA GLN 29 10.878 2.966 6.370 256 1HB GLN 29 1HB GLN 29 9.381 1.803 7.890 257 2HB GLN 29 2HB GLN 29 10.172 0.271 7.546 258 1HG GLN 29 1HG GLN 29 12.298 1.488 8.424 259 2HG GLN 29 2HG GLN 29 11.131 2.572 9.178 260 2HE2 GLN 29 2HE2 GLN 29 11.170 2.058 11.259 261 1HE2 GLN 29 1HE2 GLN 29 10.952 0.472 11.907 262 H SER 30 H SER 30 11.384 -0.392 5.373 263 HA SER 30 HA SER 30 14.146 -0.478 5.994 264 1HB SER 30 1HB SER 30 13.979 -2.338 4.073 265 2HB SER 30 2HB SER 30 13.364 -2.612 5.704 266 HG SER 30 HG SER 30 11.830 -3.157 4.087 267 H ILE 31 H ILE 31 12.410 0.104 2.940 268 HA ILE 31 HA ILE 31 14.747 0.555 1.396 269 HB ILE 31 HB ILE 31 12.664 -0.065 0.333 270 1HG1 ILE 31 1HG1 ILE 31 12.489 1.896 -1.336 271 2HG1 ILE 31 2HG1 ILE 31 13.790 2.628 -0.399 272 1HG2 ILE 31 1HG2 ILE 31 11.312 1.364 2.034 273 2HG2 ILE 31 2HG2 ILE 31 11.516 2.648 0.849 274 3HG2 ILE 31 3HG2 ILE 31 10.696 1.155 0.398 275 1HD1 ILE 31 1HD1 ILE 31 15.022 0.417 -0.784 276 2HD1 ILE 31 2HD1 ILE 31 13.815 0.138 -2.040 277 3HD1 ILE 31 3HD1 ILE 31 14.875 1.546 -2.131 278 H LYS 32 H LYS 32 12.827 2.573 3.468 279 HA LYS 32 HA LYS 32 13.858 5.055 2.441 280 1HB LYS 32 1HB LYS 32 11.660 5.065 3.423 281 2HB LYS 32 2HB LYS 32 12.273 4.384 4.923 282 1HG LYS 32 1HG LYS 32 13.522 6.420 5.363 283 2HG LYS 32 2HG LYS 32 12.968 7.104 3.834 284 1HD LYS 32 1HD LYS 32 11.047 6.180 5.950 285 2HD LYS 32 2HD LYS 32 11.731 7.807 5.958 286 1HE LYS 32 1HE LYS 32 10.912 7.689 3.412 287 2HE LYS 32 2HE LYS 32 9.748 6.579 4.133 288 1HZ LYS 32 1HZ LYS 32 9.988 8.882 5.743 289 2HZ LYS 32 2HZ LYS 32 9.675 9.352 4.148 290 3HZ LYS 32 3HZ LYS 32 8.622 8.289 4.937 291 H LYS 33 H LYS 33 14.878 2.695 4.727 292 HA LYS 33 HA LYS 33 16.575 4.478 6.224 293 1HB LYS 33 1HB LYS 33 15.449 2.067 6.789 294 2HB LYS 33 2HB LYS 33 17.088 1.579 6.378 295 1HG LYS 33 1HG LYS 33 18.020 2.850 8.117 296 2HG LYS 33 2HG LYS 33 16.530 3.765 8.355 297 1HD LYS 33 1HD LYS 33 16.287 0.848 8.671 298 2HD LYS 33 2HD LYS 33 17.285 1.659 9.879 299 1HE LYS 33 1HE LYS 33 15.524 2.939 10.664 300 2HE LYS 33 2HE LYS 33 14.603 2.768 9.171 301 1HZ LYS 33 1HZ LYS 33 14.731 0.233 9.987 302 2HZ LYS 33 2HZ LYS 33 14.716 1.026 11.482 303 3HZ LYS 33 3HZ LYS 33 13.461 1.280 10.378 304 H LEU 34 H LEU 34 16.968 2.113 3.620 305 HA LEU 34 HA LEU 34 19.839 2.391 3.622 306 1HB LEU 34 1HB LEU 34 17.893 0.967 1.824 307 2HB LEU 34 2HB LEU 34 19.607 1.045 1.465 308 HG LEU 34 HG LEU 34 18.669 -0.013 4.109 309 1HD1 LEU 34 1HD1 LEU 34 17.428 -1.215 2.344 310 2HD1 LEU 34 2HD1 LEU 34 18.966 -1.644 1.592 311 3HD1 LEU 34 3HD1 LEU 34 18.575 -2.244 3.203 312 1HD2 LEU 34 1HD2 LEU 34 21.067 0.518 3.691 313 2HD2 LEU 34 2HD2 LEU 34 20.762 -1.176 4.079 314 3HD2 LEU 34 3HD2 LEU 34 21.062 -0.694 2.410 315 H LYS 35 H LYS 35 17.126 3.849 2.026 316 HA LYS 35 HA LYS 35 18.768 5.077 -0.026 317 1HB LYS 35 1HB LYS 35 16.743 5.970 -0.913 318 2HB LYS 35 2HB LYS 35 16.400 4.315 -0.428 319 1HG LYS 35 1HG LYS 35 14.622 5.163 0.606 320 2HG LYS 35 2HG LYS 35 15.762 5.743 1.824 321 1HD LYS 35 1HD LYS 35 15.755 7.899 0.994 322 2HD LYS 35 2HD LYS 35 15.246 7.387 -0.616 323 1HE LYS 35 1HE LYS 35 13.104 6.612 0.802 324 2HE LYS 35 2HE LYS 35 13.638 7.965 1.797 325 1HZ LYS 35 1HZ LYS 35 13.179 8.154 -1.128 326 2HZ LYS 35 2HZ LYS 35 12.018 8.562 0.033 327 3HZ LYS 35 3HZ LYS 35 13.469 9.428 -0.053 328 H GLN 36 H GLN 36 17.499 5.826 3.105 329 HA GLN 36 HA GLN 36 17.958 8.678 2.827 330 1HB GLN 36 1HB GLN 36 16.072 7.964 4.174 331 2HB GLN 36 2HB GLN 36 17.123 6.992 5.194 332 1HG GLN 36 1HG GLN 36 17.321 8.721 6.552 333 2HG GLN 36 2HG GLN 36 18.176 9.581 5.273 334 2HE2 GLN 36 2HE2 GLN 36 15.351 9.393 7.150 335 1HE2 GLN 36 1HE2 GLN 36 14.483 10.688 6.405 336 H SER 37 H SER 37 19.604 5.863 3.995 337 HA SER 37 HA SER 37 21.569 7.377 5.491 338 1HB SER 37 1HB SER 37 20.757 5.041 6.113 339 2HB SER 37 2HB SER 37 21.720 4.451 4.758 340 HG SER 37 HG SER 37 23.539 4.988 5.789 341 H GLU 38 H GLU 38 21.233 5.898 2.344 342 HA GLU 38 HA GLU 38 24.038 6.263 1.699 343 1HB GLU 38 1HB GLU 38 22.188 4.473 0.835 344 2HB GLU 38 2HB GLU 38 22.129 5.651 -0.470 345 1HG GLU 38 1HG GLU 38 24.837 4.898 0.337 346 2HG GLU 38 2HG GLU 38 23.873 3.568 -0.303 347 H ASP 39 H ASP 39 21.037 7.941 1.326 348 HA ASP 39 HA ASP 39 22.194 9.789 -0.627 349 1HB ASP 39 1HB ASP 39 19.924 8.928 -1.061 350 2HB ASP 39 2HB ASP 39 19.373 9.629 0.457 351 H ASP 40 H ASP 40 21.396 9.532 2.723 352 HA ASP 40 HA ASP 40 21.580 10.958 4.485 353 1HB ASP 40 1HB ASP 40 23.547 12.190 2.557 354 2HB ASP 40 2HB ASP 40 23.320 12.802 4.193 355 H ASP 41 H ASP 41 19.664 11.931 4.814 356 HA ASP 41 HA ASP 41 19.341 14.665 4.202 357 1HB ASP 41 1HB ASP 41 18.843 13.722 1.950 358 2HB ASP 41 2HB ASP 41 17.509 12.817 2.659 359 H1 ALA 1 H1 ALA 1 34.684 6.808 -3.760 360 H2 ALA 1 H2 ALA 1 33.633 7.886 -2.935 361 H3 ALA 1 H3 ALA 1 34.919 7.124 -2.092 362 HA ALA 1 HA ALA 1 33.869 5.209 -1.885 363 1HB ALA 1 1HB ALA 1 31.300 6.583 -2.414 364 2HB ALA 1 2HB ALA 1 32.374 7.310 -1.219 365 3HB ALA 1 3HB ALA 1 31.821 5.647 -1.013 366 H LEU 2 H LEU 2 33.709 3.467 -3.114 367 HA LEU 2 HA LEU 2 32.132 3.625 -5.594 368 1HB LEU 2 1HB LEU 2 33.811 1.939 -6.523 369 2HB LEU 2 2HB LEU 2 34.318 3.614 -6.417 370 HG LEU 2 HG LEU 2 34.987 1.768 -4.167 371 1HD1 LEU 2 1HD1 LEU 2 35.846 1.408 -6.904 372 2HD1 LEU 2 2HD1 LEU 2 37.205 1.739 -5.829 373 3HD1 LEU 2 3HD1 LEU 2 36.121 0.390 -5.491 374 1HD2 LEU 2 1HD2 LEU 2 35.425 4.394 -4.558 375 2HD2 LEU 2 2HD2 LEU 2 36.484 3.358 -3.601 376 3HD2 LEU 2 3HD2 LEU 2 36.891 3.727 -5.277 377 H LYS 3 H LYS 3 30.356 2.512 -4.992 378 HA LYS 3 HA LYS 3 30.748 -0.287 -4.213 379 1HB LYS 3 1HB LYS 3 29.764 1.718 -2.487 380 2HB LYS 3 2HB LYS 3 28.376 0.747 -2.959 381 1HG LYS 3 1HG LYS 3 29.226 -0.219 -0.986 382 2HG LYS 3 2HG LYS 3 29.717 -1.282 -2.306 383 1HD LYS 3 1HD LYS 3 31.570 -0.978 -0.789 384 2HD LYS 3 2HD LYS 3 31.930 -0.177 -2.321 385 1HE LYS 3 1HE LYS 3 30.617 1.713 -0.687 386 2HE LYS 3 2HE LYS 3 31.836 0.928 0.316 387 1HZ LYS 3 1HZ LYS 3 33.128 1.400 -2.033 388 2HZ LYS 3 2HZ LYS 3 32.172 2.783 -1.838 389 3HZ LYS 3 3HZ LYS 3 33.261 2.331 -0.627 390 H LYS 4 H LYS 4 27.855 1.742 -4.553 391 HA LYS 4 HA LYS 4 26.088 1.661 -5.981 392 1HB LYS 4 1HB LYS 4 28.345 0.942 -7.588 393 2HB LYS 4 2HB LYS 4 26.962 -0.022 -8.084 394 1HG LYS 4 1HG LYS 4 25.650 2.069 -8.314 395 2HG LYS 4 2HG LYS 4 27.118 2.980 -7.955 396 1HD LYS 4 1HD LYS 4 28.199 1.828 -9.902 397 2HD LYS 4 2HD LYS 4 26.618 1.157 -10.303 398 1HE LYS 4 1HE LYS 4 27.133 4.109 -10.015 399 2HE LYS 4 2HE LYS 4 27.275 3.251 -11.549 400 1HZ LYS 4 1HZ LYS 4 24.807 2.658 -10.274 401 2HZ LYS 4 2HZ LYS 4 24.988 4.328 -10.463 402 3HZ LYS 4 3HZ LYS 4 25.088 3.310 -11.810 403 H HIS 5 H HIS 5 26.984 -0.715 -4.123 404 HA HIS 5 HA HIS 5 25.359 -2.831 -5.305 405 1HB HIS 5 1HB HIS 5 26.269 -4.295 -3.673 406 2HB HIS 5 2HB HIS 5 27.607 -3.288 -4.212 407 HD1 HIS 5 HD1 HIS 5 26.679 -4.762 -1.283 408 HD2 HIS 5 HD2 HIS 5 27.427 -0.786 -2.229 409 HE1 HIS 5 HE1 HIS 5 27.234 -3.646 0.899 410 HE2 HIS 5 HE2 HIS 5 27.685 -1.239 0.304 411 H HIS 6 H HIS 6 25.377 -0.555 -2.646 412 HA HIS 6 HA HIS 6 23.175 -1.606 -1.223 413 1HB HIS 6 1HB HIS 6 24.578 1.036 -1.305 414 2HB HIS 6 2HB HIS 6 23.024 0.925 -0.486 415 HD1 HIS 6 HD1 HIS 6 24.769 -2.199 -0.082 416 HD2 HIS 6 HD2 HIS 6 24.866 1.518 1.774 417 HE1 HIS 6 HE1 HIS 6 25.889 -2.584 2.138 418 HE2 HIS 6 HE2 HIS 6 25.938 -0.321 3.244 419 H GLU 7 H GLU 7 23.448 0.333 -4.082 420 HA GLU 7 HA GLU 7 20.800 1.381 -4.062 421 1HB GLU 7 1HB GLU 7 23.110 1.672 -5.656 422 2HB GLU 7 2HB GLU 7 21.842 1.095 -6.730 423 1HG GLU 7 1HG GLU 7 21.348 3.385 -4.871 424 2HG GLU 7 2HG GLU 7 22.162 3.628 -6.417 425 H ASN 8 H ASN 8 22.321 -1.478 -5.464 426 HA ASN 8 HA ASN 8 20.125 -2.357 -6.986 427 1HB ASN 8 1HB ASN 8 22.498 -3.769 -5.784 428 2HB ASN 8 2HB ASN 8 21.256 -4.658 -6.661 429 2HD2 ASN 8 2HD2 ASN 8 24.120 -2.985 -6.916 430 1HD2 ASN 8 1HD2 ASN 8 24.144 -2.752 -8.627 431 H GLU 9 H GLU 9 21.144 -3.097 -3.666 432 HA GLU 9 HA GLU 9 19.115 -4.939 -3.074 433 1HB GLU 9 1HB GLU 9 20.920 -3.198 -1.459 434 2HB GLU 9 2HB GLU 9 19.542 -3.930 -0.649 435 1HG GLU 9 1HG GLU 9 21.031 -5.576 -0.279 436 2HG GLU 9 2HG GLU 9 20.494 -6.094 -1.878 437 H ILE 10 H ILE 10 19.244 -1.416 -2.550 438 HA ILE 10 HA ILE 10 16.583 -1.323 -1.534 439 HB ILE 10 HB ILE 10 16.739 1.109 -1.765 440 1HG1 ILE 10 1HG1 ILE 10 19.357 0.488 -3.139 441 2HG1 ILE 10 2HG1 ILE 10 17.974 1.338 -3.822 442 1HG2 ILE 10 1HG2 ILE 10 17.798 -0.235 0.119 443 2HG2 ILE 10 2HG2 ILE 10 19.341 0.100 -0.666 444 3HG2 ILE 10 3HG2 ILE 10 18.340 1.431 -0.085 445 1HD1 ILE 10 1HD1 ILE 10 18.848 2.651 -1.427 446 2HD1 ILE 10 2HD1 ILE 10 20.199 2.443 -2.544 447 3HD1 ILE 10 3HD1 ILE 10 18.737 3.276 -3.076 448 H SER 11 H SER 11 17.851 -1.698 -4.658 449 HA SER 11 HA SER 11 15.816 -0.354 -6.126 450 1HB SER 11 1HB SER 11 16.823 -1.221 -8.019 451 2HB SER 11 2HB SER 11 18.166 -1.353 -6.886 452 HG SER 11 HG SER 11 18.057 -3.345 -7.697 453 H HIS 12 H HIS 12 16.313 -3.624 -4.897 454 HA HIS 12 HA HIS 12 13.920 -4.696 -6.010 455 1HB HIS 12 1HB HIS 12 15.025 -6.563 -5.436 456 2HB HIS 12 2HB HIS 12 16.155 -5.641 -4.462 457 HD1 HIS 12 HD1 HIS 12 12.754 -7.301 -4.113 458 HD2 HIS 12 HD2 HIS 12 16.022 -6.179 -1.806 459 HE1 HIS 12 HE1 HIS 12 12.306 -8.228 -1.818 460 HE2 HIS 12 HE2 HIS 12 14.299 -7.539 -0.437 461 H HIS 13 H HIS 13 14.782 -3.390 -2.815 462 HA HIS 13 HA HIS 13 12.304 -3.816 -1.567 463 1HB HIS 13 1HB HIS 13 14.171 -1.496 -1.057 464 2HB HIS 13 2HB HIS 13 12.977 -2.155 0.052 465 HD1 HIS 13 HD1 HIS 13 13.880 -5.197 -0.565 466 HD2 HIS 13 HD2 HIS 13 16.267 -2.026 0.649 467 HE1 HIS 13 HE1 HIS 13 15.886 -6.252 0.529 468 HE2 HIS 13 HE2 HIS 13 17.323 -4.313 1.258 469 H ALA 14 H ALA 14 13.377 -1.440 -3.857 470 HA ALA 14 HA ALA 14 11.356 0.492 -3.414 471 1HB ALA 14 1HB ALA 14 13.518 0.091 -5.271 472 2HB ALA 14 2HB ALA 14 12.711 1.588 -4.805 473 3HB ALA 14 3HB ALA 14 12.066 0.612 -6.126 474 H LYS 15 H LYS 15 11.669 -2.196 -5.709 475 HA LYS 15 HA LYS 15 9.106 -1.824 -6.877 476 1HB LYS 15 1HB LYS 15 11.044 -4.127 -6.807 477 2HB LYS 15 2HB LYS 15 9.467 -4.284 -7.570 478 1HG LYS 15 1HG LYS 15 10.070 -3.074 -9.359 479 2HG LYS 15 2HG LYS 15 11.010 -1.930 -8.399 480 1HD LYS 15 1HD LYS 15 12.776 -2.924 -9.379 481 2HD LYS 15 2HD LYS 15 12.519 -4.171 -8.159 482 1HE LYS 15 1HE LYS 15 10.760 -4.757 -10.268 483 2HE LYS 15 2HE LYS 15 12.304 -4.348 -11.015 484 1HZ LYS 15 1HZ LYS 15 12.828 -5.998 -8.829 485 2HZ LYS 15 2HZ LYS 15 11.572 -6.719 -9.703 486 3HZ LYS 15 3HZ LYS 15 13.034 -6.350 -10.471 487 H GLU 16 H GLU 16 10.140 -3.103 -3.877 488 HA GLU 16 HA GLU 16 7.951 -4.906 -3.472 489 1HB GLU 16 1HB GLU 16 9.976 -3.724 -1.571 490 2HB GLU 16 2HB GLU 16 8.767 -4.907 -1.098 491 1HG GLU 16 1HG GLU 16 10.603 -5.504 -3.368 492 2HG GLU 16 2HG GLU 16 11.176 -5.664 -1.708 493 H ILE 17 H ILE 17 8.741 -1.625 -2.271 494 HA ILE 17 HA ILE 17 6.275 -1.403 -0.821 495 HB ILE 17 HB ILE 17 8.199 -0.118 -0.100 496 1HG1 ILE 17 1HG1 ILE 17 5.910 1.554 -1.146 497 2HG1 ILE 17 2HG1 ILE 17 6.079 0.855 0.461 498 1HG2 ILE 17 1HG2 ILE 17 8.486 0.427 -2.863 499 2HG2 ILE 17 2HG2 ILE 17 8.303 1.967 -2.024 500 3HG2 ILE 17 3HG2 ILE 17 9.575 0.846 -1.541 501 1HD1 ILE 17 1HD1 ILE 17 8.176 2.339 0.636 502 2HD1 ILE 17 2HD1 ILE 17 7.476 3.212 -0.727 503 3HD1 ILE 17 3HD1 ILE 17 6.586 3.085 0.790 504 H GLU 18 H GLU 18 7.327 -0.709 -4.058 505 HA GLU 18 HA GLU 18 5.069 0.957 -4.709 506 1HB GLU 18 1HB GLU 18 7.499 0.765 -5.805 507 2HB GLU 18 2HB GLU 18 6.659 -0.381 -6.841 508 1HG GLU 18 1HG GLU 18 5.226 2.134 -6.466 509 2HG GLU 18 2HG GLU 18 6.802 2.313 -7.238 510 H ARG 19 H ARG 19 5.945 -2.416 -4.927 511 HA ARG 19 HA ARG 19 3.842 -3.203 -6.673 512 1HB ARG 19 1HB ARG 19 5.815 -4.595 -6.415 513 2HB ARG 19 2HB ARG 19 5.488 -4.796 -4.699 514 1HG ARG 19 1HG ARG 19 3.237 -5.806 -5.527 515 2HG ARG 19 2HG ARG 19 4.110 -6.014 -7.045 516 1HD ARG 19 1HD ARG 19 5.910 -7.173 -5.718 517 2HD ARG 19 2HD ARG 19 4.804 -7.149 -4.344 518 HE ARG 19 HE ARG 19 3.584 -8.294 -6.644 519 1HH1 ARG 19 1HH1 ARG 19 5.826 -8.952 -4.063 520 2HH1 ARG 19 2HH1 ARG 19 5.545 -10.660 -4.078 521 1HH2 ARG 19 1HH2 ARG 19 3.205 -10.544 -6.673 522 2HH2 ARG 19 2HH2 ARG 19 4.054 -11.567 -5.563 523 H LEU 20 H LEU 20 4.244 -3.218 -3.139 524 HA LEU 20 HA LEU 20 1.730 -4.392 -2.586 525 1HB LEU 20 1HB LEU 20 3.284 -2.517 -0.805 526 2HB LEU 20 2HB LEU 20 2.092 -3.704 -0.309 527 HG LEU 20 HG LEU 20 4.500 -4.692 -1.748 528 1HD1 LEU 20 1HD1 LEU 20 5.388 -3.063 -0.123 529 2HD1 LEU 20 2HD1 LEU 20 4.542 -3.919 1.165 530 3HD1 LEU 20 3HD1 LEU 20 5.828 -4.725 0.267 531 1HD2 LEU 20 1HD2 LEU 20 2.421 -5.691 0.064 532 2HD2 LEU 20 2HD2 LEU 20 3.326 -6.525 -1.198 533 3HD2 LEU 20 3HD2 LEU 20 4.044 -6.296 0.396 534 H GLN 21 H GLN 21 2.837 -1.076 -2.987 535 HA GLN 21 HA GLN 21 0.498 0.228 -2.129 536 1HB GLN 21 1HB GLN 21 2.548 1.467 -2.394 537 2HB GLN 21 2HB GLN 21 2.629 1.062 -4.103 538 1HG GLN 21 1HG GLN 21 0.512 2.342 -4.426 539 2HG GLN 21 2HG GLN 21 0.643 2.867 -2.747 540 2HE2 GLN 21 2HE2 GLN 21 3.013 2.499 -5.362 541 1HE2 GLN 21 1HE2 GLN 21 3.600 4.122 -5.290 542 H LYS 22 H LYS 22 1.415 -1.208 -5.195 543 HA LYS 22 HA LYS 22 -0.644 -0.106 -6.775 544 1HB LYS 22 1HB LYS 22 1.364 -1.249 -7.687 545 2HB LYS 22 2HB LYS 22 0.729 -2.782 -7.102 546 1HG LYS 22 1HG LYS 22 -1.365 -1.912 -8.565 547 2HG LYS 22 2HG LYS 22 -0.021 -1.198 -9.458 548 1HD LYS 22 1HD LYS 22 -0.344 -4.112 -8.744 549 2HD LYS 22 2HD LYS 22 -0.559 -3.399 -10.343 550 1HE LYS 22 1HE LYS 22 1.878 -2.558 -10.000 551 2HE LYS 22 2HE LYS 22 1.953 -3.828 -8.778 552 1HZ LYS 22 1HZ LYS 22 1.305 -5.432 -10.482 553 2HZ LYS 22 2HZ LYS 22 1.286 -4.206 -11.648 554 3HZ LYS 22 3HZ LYS 22 2.739 -4.638 -10.899 555 H GLU 23 H GLU 23 -0.406 -3.217 -5.065 556 HA GLU 23 HA GLU 23 -2.925 -4.214 -5.728 557 1HB GLU 23 1HB GLU 23 -1.021 -5.423 -4.557 558 2HB GLU 23 2HB GLU 23 -1.561 -4.653 -3.072 559 1HG GLU 23 1HG GLU 23 -2.612 -6.681 -2.944 560 2HG GLU 23 2HG GLU 23 -3.864 -5.688 -3.688 561 H ILE 24 H ILE 24 -1.941 -2.121 -3.044 562 HA ILE 24 HA ILE 24 -4.463 -2.066 -1.774 563 HB ILE 24 HB ILE 24 -3.611 -0.557 -0.292 564 1HG1 ILE 24 1HG1 ILE 24 -1.558 0.983 -1.226 565 2HG1 ILE 24 2HG1 ILE 24 -2.560 0.842 -2.667 566 1HG2 ILE 24 1HG2 ILE 24 -1.812 -2.433 -1.131 567 2HG2 ILE 24 2HG2 ILE 24 -0.857 -0.952 -1.139 568 3HG2 ILE 24 3HG2 ILE 24 -1.682 -1.459 0.331 569 1HD1 ILE 24 1HD1 ILE 24 -4.218 1.404 -0.412 570 2HD1 ILE 24 2HD1 ILE 24 -2.897 2.573 -0.489 571 3HD1 ILE 24 3HD1 ILE 24 -3.963 2.354 -1.878 572 H GLU 25 H GLU 25 -3.110 -0.369 -4.476 573 HA GLU 25 HA GLU 25 -4.890 1.794 -4.632 574 1HB GLU 25 1HB GLU 25 -2.728 1.383 -5.959 575 2HB GLU 25 2HB GLU 25 -3.717 0.399 -7.031 576 1HG GLU 25 1HG GLU 25 -5.217 2.568 -7.064 577 2HG GLU 25 2HG GLU 25 -3.691 3.338 -6.633 578 H ARG 26 H ARG 26 -5.006 -1.451 -6.066 579 HA ARG 26 HA ARG 26 -7.399 -1.154 -7.482 580 1HB ARG 26 1HB ARG 26 -5.998 -3.078 -7.861 581 2HB ARG 26 2HB ARG 26 -6.167 -3.592 -6.188 582 1HG ARG 26 1HG ARG 26 -8.652 -3.819 -6.671 583 2HG ARG 26 2HG ARG 26 -8.219 -3.660 -8.375 584 1HD ARG 26 1HD ARG 26 -6.788 -5.603 -8.230 585 2HD ARG 26 2HD ARG 26 -7.078 -5.725 -6.496 586 HE ARG 26 HE ARG 26 -9.523 -5.833 -7.917 587 1HH1 ARG 26 1HH1 ARG 26 -6.695 -7.728 -7.175 588 2HH1 ARG 26 2HH1 ARG 26 -7.514 -9.246 -7.324 589 1HH2 ARG 26 1HH2 ARG 26 -10.611 -7.827 -8.116 590 2HH2 ARG 26 2HH2 ARG 26 -9.741 -9.303 -7.860 591 H HIS 27 H HIS 27 -6.797 -2.235 -4.152 592 HA HIS 27 HA HIS 27 -9.515 -2.703 -3.514 593 1HB HIS 27 1HB HIS 27 -6.974 -2.815 -2.169 594 2HB HIS 27 2HB HIS 27 -8.151 -1.997 -1.146 595 HD1 HIS 27 HD1 HIS 27 -10.569 -3.447 -1.065 596 HD2 HIS 27 HD2 HIS 27 -7.026 -5.485 -1.819 597 HE1 HIS 27 HE1 HIS 27 -11.050 -5.854 -0.521 598 HE2 HIS 27 HE2 HIS 27 -8.892 -7.071 -0.984 599 H LYS 28 H LYS 28 -7.625 0.178 -3.749 600 HA LYS 28 HA LYS 28 -9.344 1.741 -2.059 601 1HB LYS 28 1HB LYS 28 -7.848 3.458 -2.309 602 2HB LYS 28 2HB LYS 28 -6.801 2.100 -2.672 603 1HG LYS 28 1HG LYS 28 -6.245 3.175 -4.532 604 2HG LYS 28 2HG LYS 28 -7.860 2.816 -5.137 605 1HD LYS 28 1HD LYS 28 -8.639 4.926 -4.021 606 2HD LYS 28 2HD LYS 28 -6.943 5.298 -3.700 607 1HE LYS 28 1HE LYS 28 -7.606 4.583 -6.483 608 2HE LYS 28 2HE LYS 28 -8.269 6.109 -5.902 609 1HZ LYS 28 1HZ LYS 28 -5.531 5.797 -5.170 610 2HZ LYS 28 2HZ LYS 28 -5.735 5.690 -6.846 611 3HZ LYS 28 3HZ LYS 28 -6.280 7.058 -6.015 612 H GLN 29 H GLN 29 -9.206 0.870 -5.392 613 HA GLN 29 HA GLN 29 -10.883 2.976 -6.358 614 1HB GLN 29 1HB GLN 29 -9.387 1.829 -7.887 615 2HB GLN 29 2HB GLN 29 -10.159 0.288 -7.541 616 1HG GLN 29 1HG GLN 29 -12.303 1.484 -8.411 617 2HG GLN 29 2HG GLN 29 -11.148 2.578 -9.171 618 2HE2 GLN 29 2HE2 GLN 29 -11.173 2.064 -11.251 619 1HE2 GLN 29 1HE2 GLN 29 -10.949 0.477 -11.897 620 H SER 30 H SER 30 -11.379 -0.383 -5.363 621 HA SER 30 HA SER 30 -14.141 -0.476 -5.991 622 1HB SER 30 1HB SER 30 -13.968 -2.350 -4.084 623 2HB SER 30 2HB SER 30 -13.353 -2.609 -5.716 624 HG SER 30 HG SER 30 -11.823 -3.157 -4.085 625 H ILE 31 H ILE 31 -12.402 0.139 -2.946 626 HA ILE 31 HA ILE 31 -14.755 0.551 -1.404 627 HB ILE 31 HB ILE 31 -12.705 -0.087 -0.317 628 1HG1 ILE 31 1HG1 ILE 31 -12.467 1.900 1.325 629 2HG1 ILE 31 2HG1 ILE 31 -13.768 2.637 0.392 630 1HG2 ILE 31 1HG2 ILE 31 -11.467 1.606 -2.074 631 2HG2 ILE 31 2HG2 ILE 31 -11.326 2.476 -0.547 632 3HG2 ILE 31 3HG2 ILE 31 -10.702 0.835 -0.686 633 1HD1 ILE 31 1HD1 ILE 31 -15.034 0.458 0.818 634 2HD1 ILE 31 2HD1 ILE 31 -13.811 0.159 2.055 635 3HD1 ILE 31 3HD1 ILE 31 -14.841 1.588 2.159 636 H LYS 32 H LYS 32 -12.832 2.572 -3.462 637 HA LYS 32 HA LYS 32 -13.859 5.055 -2.430 638 1HB LYS 32 1HB LYS 32 -11.659 5.066 -3.407 639 2HB LYS 32 2HB LYS 32 -12.269 4.384 -4.908 640 1HG LYS 32 1HG LYS 32 -13.519 6.421 -5.349 641 2HG LYS 32 2HG LYS 32 -12.963 7.105 -3.820 642 1HD LYS 32 1HD LYS 32 -11.044 6.175 -5.937 643 2HD LYS 32 2HD LYS 32 -11.726 7.802 -5.949 644 1HE LYS 32 1HE LYS 32 -10.907 7.692 -3.403 645 2HE LYS 32 2HE LYS 32 -9.744 6.580 -4.123 646 1HZ LYS 32 1HZ LYS 32 -9.987 8.881 -5.736 647 2HZ LYS 32 2HZ LYS 32 -9.672 9.353 -4.143 648 3HZ LYS 32 3HZ LYS 32 -8.620 8.290 -4.931 649 H LYS 33 H LYS 33 -14.873 2.699 -4.723 650 HA LYS 33 HA LYS 33 -16.568 4.484 -6.220 651 1HB LYS 33 1HB LYS 33 -15.442 2.075 -6.788 652 2HB LYS 33 2HB LYS 33 -17.078 1.583 -6.373 653 1HG LYS 33 1HG LYS 33 -18.018 2.852 -8.109 654 2HG LYS 33 2HG LYS 33 -16.530 3.770 -8.352 655 1HD LYS 33 1HD LYS 33 -16.286 0.852 -8.667 656 2HD LYS 33 2HD LYS 33 -17.286 1.662 -9.874 657 1HE LYS 33 1HE LYS 33 -15.527 2.942 -10.663 658 2HE LYS 33 2HE LYS 33 -14.602 2.774 -9.170 659 1HZ LYS 33 1HZ LYS 33 -14.732 0.237 -9.987 660 2HZ LYS 33 2HZ LYS 33 -14.718 1.031 -11.482 661 3HZ LYS 33 3HZ LYS 33 -13.463 1.285 -10.377 662 H LEU 34 H LEU 34 -16.967 2.106 -3.627 663 HA LEU 34 HA LEU 34 -19.837 2.389 -3.627 664 1HB LEU 34 1HB LEU 34 -17.893 0.965 -1.827 665 2HB LEU 34 2HB LEU 34 -19.607 1.042 -1.472 666 HG LEU 34 HG LEU 34 -18.665 -0.014 -4.115 667 1HD1 LEU 34 1HD1 LEU 34 -17.423 -1.215 -2.350 668 2HD1 LEU 34 2HD1 LEU 34 -18.960 -1.646 -1.598 669 3HD1 LEU 34 3HD1 LEU 34 -18.569 -2.245 -3.210 670 1HD2 LEU 34 1HD2 LEU 34 -21.064 0.513 -3.699 671 2HD2 LEU 34 2HD2 LEU 34 -20.757 -1.180 -4.087 672 3HD2 LEU 34 3HD2 LEU 34 -21.058 -0.698 -2.417 673 H LYS 35 H LYS 35 -17.125 3.843 -2.020 674 HA LYS 35 HA LYS 35 -18.774 5.069 0.028 675 1HB LYS 35 1HB LYS 35 -16.752 5.965 0.920 676 2HB LYS 35 2HB LYS 35 -16.409 4.309 0.439 677 1HG LYS 35 1HG LYS 35 -14.627 5.152 -0.593 678 2HG LYS 35 2HG LYS 35 -15.762 5.729 -1.814 679 1HD LYS 35 1HD LYS 35 -15.756 7.888 -0.988 680 2HD LYS 35 2HD LYS 35 -15.246 7.380 0.623 681 1HE LYS 35 1HE LYS 35 -13.107 6.598 -0.793 682 2HE LYS 35 2HE LYS 35 -13.640 7.948 -1.794 683 1HZ LYS 35 1HZ LYS 35 -13.177 8.146 1.130 684 2HZ LYS 35 2HZ LYS 35 -12.019 8.551 -0.033 685 3HZ LYS 35 3HZ LYS 35 -13.469 9.417 0.053 686 H GLN 36 H GLN 36 -17.501 5.824 -3.101 687 HA GLN 36 HA GLN 36 -17.959 8.675 -2.818 688 1HB GLN 36 1HB GLN 36 -16.072 7.963 -4.163 689 2HB GLN 36 2HB GLN 36 -17.123 6.993 -5.186 690 1HG GLN 36 1HG GLN 36 -17.320 8.725 -6.540 691 2HG GLN 36 2HG GLN 36 -18.172 9.586 -5.259 692 2HE2 GLN 36 2HE2 GLN 36 -15.353 9.395 -7.143 693 1HE2 GLN 36 1HE2 GLN 36 -14.479 10.685 -6.396 694 H SER 37 H SER 37 -19.607 5.864 -3.989 695 HA SER 37 HA SER 37 -21.568 7.380 -5.487 696 1HB SER 37 1HB SER 37 -20.758 5.042 -6.107 697 2HB SER 37 2HB SER 37 -21.725 4.454 -4.756 698 HG SER 37 HG SER 37 -23.540 4.992 -5.792 699 H GLU 38 H GLU 38 -21.238 5.900 -2.341 700 HA GLU 38 HA GLU 38 -24.042 6.268 -1.697 701 1HB GLU 38 1HB GLU 38 -22.195 4.475 -0.832 702 2HB GLU 38 2HB GLU 38 -22.135 5.654 0.472 703 1HG GLU 38 1HG GLU 38 -24.843 4.910 -0.331 704 2HG GLU 38 2HG GLU 38 -23.883 3.574 0.302 705 H ASP 39 H ASP 39 -21.038 7.939 -1.318 706 HA ASP 39 HA ASP 39 -22.190 9.790 0.632 707 1HB ASP 39 1HB ASP 39 -19.920 8.925 1.062 708 2HB ASP 39 2HB ASP 39 -19.371 9.627 -0.456 709 H ASP 40 H ASP 40 -21.399 9.532 -2.719 710 HA ASP 40 HA ASP 40 -21.581 10.960 -4.479 711 1HB ASP 40 1HB ASP 40 -23.547 12.196 -2.553 712 2HB ASP 40 2HB ASP 40 -23.320 12.804 -4.190 713 H ASP 41 H ASP 41 -19.665 11.933 -4.809 714 HA ASP 41 HA ASP 41 -19.341 14.667 -4.193 715 1HB ASP 41 1HB ASP 41 -18.842 13.721 -1.943 716 2HB ASP 41 2HB ASP 41 -17.508 12.817 -2.652 No H/Q in entry = 716 Start of MODEL 27 1 H1 ALA 1 H1 ALA 1 -28.704 9.878 9.737 2 H2 ALA 1 H2 ALA 1 -27.498 9.411 10.866 3 H3 ALA 1 H3 ALA 1 -27.045 10.061 9.343 4 HA ALA 1 HA ALA 1 -26.717 7.756 9.298 5 1HB ALA 1 1HB ALA 1 -29.276 7.768 10.716 6 2HB ALA 1 2HB ALA 1 -27.955 6.601 10.765 7 3HB ALA 1 3HB ALA 1 -29.147 6.530 9.466 8 H LEU 2 H LEU 2 -27.348 6.372 7.490 9 HA LEU 2 HA LEU 2 -29.366 7.008 5.659 10 1HB LEU 2 1HB LEU 2 -27.910 9.063 5.447 11 2HB LEU 2 2HB LEU 2 -26.668 8.020 4.780 12 HG LEU 2 HG LEU 2 -28.664 7.363 3.129 13 1HD1 LEU 2 1HD1 LEU 2 -30.063 9.110 4.483 14 2HD1 LEU 2 2HD1 LEU 2 -29.225 10.271 3.454 15 3HD1 LEU 2 3HD1 LEU 2 -30.216 9.006 2.729 16 1HD2 LEU 2 1HD2 LEU 2 -26.386 9.090 3.063 17 2HD2 LEU 2 2HD2 LEU 2 -27.092 8.128 1.764 18 3HD2 LEU 2 3HD2 LEU 2 -27.668 9.768 2.061 19 H LYS 3 H LYS 3 -29.523 4.769 5.603 20 HA LYS 3 HA LYS 3 -29.146 2.665 4.827 21 1HB LYS 3 1HB LYS 3 -27.643 4.368 2.890 22 2HB LYS 3 2HB LYS 3 -27.420 2.626 2.821 23 1HG LYS 3 1HG LYS 3 -29.114 3.096 1.277 24 2HG LYS 3 2HG LYS 3 -29.950 2.457 2.695 25 1HD LYS 3 1HD LYS 3 -31.252 4.287 2.276 26 2HD LYS 3 2HD LYS 3 -30.052 5.019 3.342 27 1HE LYS 3 1HE LYS 3 -28.762 5.645 1.272 28 2HE LYS 3 2HE LYS 3 -30.165 5.134 0.335 29 1HZ LYS 3 1HZ LYS 3 -30.630 7.027 2.507 30 2HZ LYS 3 2HZ LYS 3 -29.833 7.615 1.137 31 3HZ LYS 3 3HZ LYS 3 -31.369 6.920 0.989 32 H LYS 4 H LYS 4 -28.109 1.209 6.011 33 HA LYS 4 HA LYS 4 -25.271 1.674 6.641 34 1HB LYS 4 1HB LYS 4 -27.540 0.561 8.196 35 2HB LYS 4 2HB LYS 4 -25.967 -0.184 8.446 36 1HG LYS 4 1HG LYS 4 -26.559 1.665 10.032 37 2HG LYS 4 2HG LYS 4 -25.017 1.849 9.193 38 1HD LYS 4 1HD LYS 4 -26.206 3.297 7.524 39 2HD LYS 4 2HD LYS 4 -27.620 3.239 8.579 40 1HE LYS 4 1HE LYS 4 -26.741 5.074 9.519 41 2HE LYS 4 2HE LYS 4 -25.658 3.943 10.331 42 1HZ LYS 4 1HZ LYS 4 -24.382 4.317 8.015 43 2HZ LYS 4 2HZ LYS 4 -25.104 5.833 8.208 44 3HZ LYS 4 3HZ LYS 4 -24.082 5.224 9.410 45 H HIS 5 H HIS 5 -26.621 0.244 4.289 46 HA HIS 5 HA HIS 5 -25.623 -2.472 4.653 47 1HB HIS 5 1HB HIS 5 -26.794 -1.432 2.093 48 2HB HIS 5 2HB HIS 5 -26.836 -3.066 2.747 49 HD1 HIS 5 HD1 HIS 5 -27.840 -1.694 5.620 50 HD2 HIS 5 HD2 HIS 5 -29.642 -1.633 1.876 51 HE1 HIS 5 HE1 HIS 5 -30.278 -1.262 6.056 52 HE2 HIS 5 HE2 HIS 5 -31.351 -1.228 3.776 53 H HIS 6 H HIS 6 -25.302 0.049 2.150 54 HA HIS 6 HA HIS 6 -23.049 -1.051 0.908 55 1HB HIS 6 1HB HIS 6 -24.152 1.751 1.018 56 2HB HIS 6 2HB HIS 6 -22.692 1.370 0.111 57 HD1 HIS 6 HD1 HIS 6 -24.951 -1.424 -0.118 58 HD2 HIS 6 HD2 HIS 6 -24.549 2.234 -2.049 59 HE1 HIS 6 HE1 HIS 6 -26.257 -1.645 -2.254 60 HE2 HIS 6 HE2 HIS 6 -26.002 0.581 -3.408 61 H GLU 7 H GLU 7 -23.374 0.735 3.844 62 HA GLU 7 HA GLU 7 -20.690 1.686 3.995 63 1HB GLU 7 1HB GLU 7 -22.712 2.563 5.282 64 2HB GLU 7 2HB GLU 7 -22.519 1.171 6.336 65 1HG GLU 7 1HG GLU 7 -21.394 2.835 7.468 66 2HG GLU 7 2HG GLU 7 -20.096 1.997 6.617 67 H ASN 8 H ASN 8 -22.394 -1.145 5.265 68 HA ASN 8 HA ASN 8 -20.287 -2.202 6.784 69 1HB ASN 8 1HB ASN 8 -22.727 -3.376 5.495 70 2HB ASN 8 2HB ASN 8 -21.526 -4.444 6.215 71 2HD2 ASN 8 2HD2 ASN 8 -24.374 -3.226 6.827 72 1HD2 ASN 8 1HD2 ASN 8 -24.284 -2.963 8.532 73 H GLU 9 H GLU 9 -21.217 -2.720 3.400 74 HA GLU 9 HA GLU 9 -19.264 -4.636 2.780 75 1HB GLU 9 1HB GLU 9 -21.302 -3.792 1.392 76 2HB GLU 9 2HB GLU 9 -20.178 -2.584 0.784 77 1HG GLU 9 1HG GLU 9 -19.747 -4.105 -0.792 78 2HG GLU 9 2HG GLU 9 -18.731 -4.846 0.443 79 H ILE 10 H ILE 10 -19.199 -1.090 2.381 80 HA ILE 10 HA ILE 10 -16.499 -1.080 1.489 81 HB ILE 10 HB ILE 10 -16.546 1.341 1.838 82 1HG1 ILE 10 1HG1 ILE 10 -19.237 0.779 3.093 83 2HG1 ILE 10 2HG1 ILE 10 -17.842 1.536 3.858 84 1HG2 ILE 10 1HG2 ILE 10 -17.564 0.188 -0.163 85 2HG2 ILE 10 2HG2 ILE 10 -19.135 0.469 0.588 86 3HG2 ILE 10 3HG2 ILE 10 -18.112 1.836 0.145 87 1HD1 ILE 10 1HD1 ILE 10 -18.572 2.999 1.506 88 2HD1 ILE 10 2HD1 ILE 10 -19.976 2.792 2.556 89 3HD1 ILE 10 3HD1 ILE 10 -18.506 3.536 3.187 90 H SER 11 H SER 11 -17.885 -1.578 4.534 91 HA SER 11 HA SER 11 -15.851 -0.394 6.141 92 1HB SER 11 1HB SER 11 -18.310 -1.584 6.640 93 2HB SER 11 2HB SER 11 -17.159 -2.743 7.302 94 HG SER 11 HG SER 11 -17.992 -0.646 8.505 95 H HIS 12 H HIS 12 -16.460 -3.586 4.752 96 HA HIS 12 HA HIS 12 -14.140 -4.786 5.904 97 1HB HIS 12 1HB HIS 12 -15.199 -6.643 5.246 98 2HB HIS 12 2HB HIS 12 -16.415 -5.655 4.459 99 HD1 HIS 12 HD1 HIS 12 -12.926 -6.894 3.521 100 HD2 HIS 12 HD2 HIS 12 -16.723 -6.420 1.904 101 HE1 HIS 12 HE1 HIS 12 -12.775 -7.793 1.176 102 HE2 HIS 12 HE2 HIS 12 -15.086 -7.500 0.216 103 H HIS 13 H HIS 13 -14.852 -3.213 2.813 104 HA HIS 13 HA HIS 13 -12.373 -3.819 1.576 105 1HB HIS 13 1HB HIS 13 -13.947 -1.320 1.006 106 2HB HIS 13 2HB HIS 13 -12.955 -2.265 -0.096 107 HD1 HIS 13 HD1 HIS 13 -14.385 -5.026 0.804 108 HD2 HIS 13 HD2 HIS 13 -16.181 -1.561 -0.603 109 HE1 HIS 13 HE1 HIS 13 -16.598 -5.760 -0.143 110 HE2 HIS 13 HE2 HIS 13 -17.674 -3.644 -0.992 111 H ALA 14 H ALA 14 -13.381 -1.445 3.892 112 HA ALA 14 HA ALA 14 -11.249 0.389 3.533 113 1HB ALA 14 1HB ALA 14 -13.018 -0.144 5.918 114 2HB ALA 14 2HB ALA 14 -11.879 1.197 5.802 115 3HB ALA 14 3HB ALA 14 -13.241 1.096 4.684 116 H LYS 15 H LYS 15 -11.787 -2.280 5.814 117 HA LYS 15 HA LYS 15 -9.252 -2.047 7.071 118 1HB LYS 15 1HB LYS 15 -11.352 -4.190 6.960 119 2HB LYS 15 2HB LYS 15 -9.795 -4.512 7.713 120 1HG LYS 15 1HG LYS 15 -10.142 -2.792 9.332 121 2HG LYS 15 2HG LYS 15 -11.597 -2.237 8.503 122 1HD LYS 15 1HD LYS 15 -12.782 -4.216 9.076 123 2HD LYS 15 2HD LYS 15 -11.309 -5.013 9.634 124 1HE LYS 15 1HE LYS 15 -12.377 -2.506 10.905 125 2HE LYS 15 2HE LYS 15 -12.874 -4.116 11.422 126 1HZ LYS 15 1HZ LYS 15 -10.147 -4.234 11.359 127 2HZ LYS 15 2HZ LYS 15 -10.461 -2.696 11.987 128 3HZ LYS 15 3HZ LYS 15 -11.105 -4.063 12.744 129 H GLU 16 H GLU 16 -10.283 -3.388 4.075 130 HA GLU 16 HA GLU 16 -8.134 -5.257 3.776 131 1HB GLU 16 1HB GLU 16 -10.161 -4.121 1.857 132 2HB GLU 16 2HB GLU 16 -8.915 -5.256 1.355 133 1HG GLU 16 1HG GLU 16 -10.413 -6.142 3.692 134 2HG GLU 16 2HG GLU 16 -11.411 -5.911 2.256 135 H ILE 17 H ILE 17 -8.772 -1.956 2.609 136 HA ILE 17 HA ILE 17 -6.315 -1.857 1.107 137 HB ILE 17 HB ILE 17 -8.245 -0.538 0.400 138 1HG1 ILE 17 1HG1 ILE 17 -5.822 0.215 0.034 139 2HG1 ILE 17 2HG1 ILE 17 -7.084 1.417 -0.205 140 1HG2 ILE 17 1HG2 ILE 17 -8.261 0.254 3.170 141 2HG2 ILE 17 2HG2 ILE 17 -8.277 1.662 2.108 142 3HG2 ILE 17 3HG2 ILE 17 -9.518 0.421 1.944 143 1HD1 ILE 17 1HD1 ILE 17 -6.266 1.559 2.500 144 2HD1 ILE 17 2HD1 ILE 17 -4.820 1.530 1.492 145 3HD1 ILE 17 3HD1 ILE 17 -6.060 2.754 1.220 146 H GLU 18 H GLU 18 -7.323 -1.144 4.342 147 HA GLU 18 HA GLU 18 -5.035 0.488 4.972 148 1HB GLU 18 1HB GLU 18 -7.106 0.874 6.174 149 2HB GLU 18 2HB GLU 18 -7.137 -0.796 6.726 150 1HG GLU 18 1HG GLU 18 -5.730 -0.394 8.413 151 2HG GLU 18 2HG GLU 18 -4.697 0.647 7.434 152 H ARG 19 H ARG 19 -5.969 -2.872 5.204 153 HA ARG 19 HA ARG 19 -3.814 -3.668 6.903 154 1HB ARG 19 1HB ARG 19 -5.979 -4.929 6.584 155 2HB ARG 19 2HB ARG 19 -5.386 -5.410 5.001 156 1HG ARG 19 1HG ARG 19 -4.125 -7.025 5.859 157 2HG ARG 19 2HG ARG 19 -3.460 -5.956 7.096 158 1HD ARG 19 1HD ARG 19 -4.582 -7.528 8.364 159 2HD ARG 19 2HD ARG 19 -5.779 -6.241 8.224 160 HE ARG 19 HE ARG 19 -7.094 -7.636 6.959 161 1HH1 ARG 19 1HH1 ARG 19 -3.910 -9.008 7.283 162 2HH1 ARG 19 2HH1 ARG 19 -4.358 -10.537 6.603 163 1HH2 ARG 19 1HH2 ARG 19 -7.695 -9.646 6.063 164 2HH2 ARG 19 2HH2 ARG 19 -6.510 -10.900 5.908 165 H LEU 20 H LEU 20 -4.418 -3.845 3.399 166 HA LEU 20 HA LEU 20 -1.937 -5.040 2.759 167 1HB LEU 20 1HB LEU 20 -4.036 -3.559 1.226 168 2HB LEU 20 2HB LEU 20 -2.488 -3.867 0.467 169 HG LEU 20 HG LEU 20 -4.348 -5.532 -0.004 170 1HD1 LEU 20 1HD1 LEU 20 -1.678 -5.811 0.009 171 2HD1 LEU 20 2HD1 LEU 20 -2.120 -7.072 1.161 172 3HD1 LEU 20 3HD1 LEU 20 -2.790 -7.093 -0.471 173 1HD2 LEU 20 1HD2 LEU 20 -3.776 -6.177 2.877 174 2HD2 LEU 20 2HD2 LEU 20 -5.332 -5.842 2.118 175 3HD2 LEU 20 3HD2 LEU 20 -4.482 -7.345 1.761 176 H GLN 21 H GLN 21 -3.029 -1.715 3.097 177 HA GLN 21 HA GLN 21 -0.752 -0.435 2.052 178 1HB GLN 21 1HB GLN 21 -2.796 0.802 2.403 179 2HB GLN 21 2HB GLN 21 -2.753 0.467 4.128 180 1HG GLN 21 1HG GLN 21 -0.398 1.846 3.019 181 2HG GLN 21 2HG GLN 21 -1.907 2.760 3.034 182 2HE2 GLN 21 2HE2 GLN 21 -3.130 2.155 5.268 183 1HE2 GLN 21 1HE2 GLN 21 -2.165 2.502 6.659 184 H LYS 22 H LYS 22 -1.504 -1.747 5.216 185 HA LYS 22 HA LYS 22 0.617 -0.610 6.664 186 1HB LYS 22 1HB LYS 22 -1.202 -1.682 7.825 187 2HB LYS 22 2HB LYS 22 -0.864 -3.217 7.037 188 1HG LYS 22 1HG LYS 22 1.411 -3.108 8.187 189 2HG LYS 22 2HG LYS 22 0.707 -1.829 9.179 190 1HD LYS 22 1HD LYS 22 0.475 -3.920 10.340 191 2HD LYS 22 2HD LYS 22 -1.120 -3.397 9.799 192 1HE LYS 22 1HE LYS 22 -1.348 -5.128 8.371 193 2HE LYS 22 2HE LYS 22 0.354 -5.109 7.915 194 1HZ LYS 22 1HZ LYS 22 0.674 -6.026 10.306 195 2HZ LYS 22 2HZ LYS 22 -0.949 -6.480 10.165 196 3HZ LYS 22 3HZ LYS 22 0.193 -7.071 9.066 197 H GLU 23 H GLU 23 0.364 -3.765 5.029 198 HA GLU 23 HA GLU 23 2.941 -4.681 5.583 199 1HB GLU 23 1HB GLU 23 0.779 -5.642 4.190 200 2HB GLU 23 2HB GLU 23 1.956 -5.384 2.910 201 1HG GLU 23 1HG GLU 23 3.412 -6.955 3.742 202 2HG GLU 23 2HG GLU 23 2.777 -6.829 5.382 203 H ILE 24 H ILE 24 1.759 -2.719 2.879 204 HA ILE 24 HA ILE 24 4.210 -2.605 1.487 205 HB ILE 24 HB ILE 24 3.223 -1.202 -0.001 206 1HG1 ILE 24 1HG1 ILE 24 1.297 0.445 0.930 207 2HG1 ILE 24 2HG1 ILE 24 2.295 0.313 2.375 208 1HG2 ILE 24 1HG2 ILE 24 1.501 -3.030 0.975 209 2HG2 ILE 24 2HG2 ILE 24 0.552 -1.554 1.149 210 3HG2 ILE 24 3HG2 ILE 24 1.186 -2.012 -0.428 211 1HD1 ILE 24 1HD1 ILE 24 3.972 0.741 0.106 212 2HD1 ILE 24 2HD1 ILE 24 2.694 1.959 0.138 213 3HD1 ILE 24 3HD1 ILE 24 3.749 1.749 1.537 214 H GLU 25 H GLU 25 2.959 -0.899 4.230 215 HA GLU 25 HA GLU 25 4.756 1.289 4.221 216 1HB GLU 25 1HB GLU 25 2.610 0.384 5.822 217 2HB GLU 25 2HB GLU 25 3.996 0.541 6.892 218 1HG GLU 25 1HG GLU 25 4.310 2.852 6.102 219 2HG GLU 25 2HG GLU 25 2.864 2.683 5.107 220 H ARG 26 H ARG 26 4.890 -1.973 5.522 221 HA ARG 26 HA ARG 26 7.194 -1.670 7.114 222 1HB ARG 26 1HB ARG 26 5.444 -3.699 6.675 223 2HB ARG 26 2HB ARG 26 6.823 -4.266 5.743 224 1HG ARG 26 1HG ARG 26 7.645 -3.303 8.336 225 2HG ARG 26 2HG ARG 26 6.410 -4.557 8.473 226 1HD ARG 26 1HD ARG 26 7.749 -6.002 6.995 227 2HD ARG 26 2HD ARG 26 8.995 -4.757 6.932 228 HE ARG 26 HE ARG 26 8.314 -5.615 9.596 229 1HH1 ARG 26 1HH1 ARG 26 10.322 -6.186 6.810 230 2HH1 ARG 26 2HH1 ARG 26 11.559 -7.003 7.706 231 1HH2 ARG 26 1HH2 ARG 26 9.936 -6.689 10.788 232 2HH2 ARG 26 2HH2 ARG 26 11.338 -7.290 9.968 233 H HIS 27 H HIS 27 6.809 -2.910 3.791 234 HA HIS 27 HA HIS 27 9.584 -3.125 3.280 235 1HB HIS 27 1HB HIS 27 7.153 -3.609 1.867 236 2HB HIS 27 2HB HIS 27 8.182 -2.608 0.849 237 HD1 HIS 27 HD1 HIS 27 10.688 -3.617 0.480 238 HD2 HIS 27 HD2 HIS 27 7.768 -6.254 1.818 239 HE1 HIS 27 HE1 HIS 27 11.593 -5.916 0.010 240 HE2 HIS 27 HE2 HIS 27 9.810 -7.497 0.828 241 H LYS 28 H LYS 28 7.381 -0.475 3.308 242 HA LYS 28 HA LYS 28 8.940 1.266 1.654 243 1HB LYS 28 1HB LYS 28 6.427 1.405 2.052 244 2HB LYS 28 2HB LYS 28 6.817 2.099 3.619 245 1HG LYS 28 1HG LYS 28 8.265 3.740 2.159 246 2HG LYS 28 2HG LYS 28 7.127 3.254 0.901 247 1HD LYS 28 1HD LYS 28 6.474 4.501 3.568 248 2HD LYS 28 2HD LYS 28 6.293 5.237 1.974 249 1HE LYS 28 1HE LYS 28 4.637 3.501 1.397 250 2HE LYS 28 2HE LYS 28 4.785 2.847 3.027 251 1HZ LYS 28 1HZ LYS 28 4.137 5.168 3.786 252 2HZ LYS 28 2HZ LYS 28 3.650 5.444 2.189 253 3HZ LYS 28 3HZ LYS 28 2.919 4.219 3.096 254 H GLN 29 H GLN 29 8.876 0.393 4.992 255 HA GLN 29 HA GLN 29 10.237 2.719 5.960 256 1HB GLN 29 1HB GLN 29 8.850 1.437 7.478 257 2HB GLN 29 2HB GLN 29 9.804 -0.012 7.184 258 1HG GLN 29 1HG GLN 29 11.777 1.329 8.109 259 2HG GLN 29 2HG GLN 29 10.557 2.450 8.712 260 2HE2 GLN 29 2HE2 GLN 29 12.286 1.084 10.388 261 1HE2 GLN 29 1HE2 GLN 29 11.381 -0.042 11.335 262 H SER 30 H SER 30 11.167 -0.575 5.065 263 HA SER 30 HA SER 30 13.897 -0.321 5.772 264 1HB SER 30 1HB SER 30 12.458 -2.179 3.873 265 2HB SER 30 2HB SER 30 14.186 -2.300 4.205 266 HG SER 30 HG SER 30 13.043 -3.669 5.583 267 H ILE 31 H ILE 31 12.155 0.146 2.715 268 HA ILE 31 HA ILE 31 14.482 0.735 1.185 269 HB ILE 31 HB ILE 31 12.484 -0.043 0.085 270 1HG1 ILE 31 1HG1 ILE 31 12.131 1.899 -1.569 271 2HG1 ILE 31 2HG1 ILE 31 13.335 2.759 -0.612 272 1HG2 ILE 31 1HG2 ILE 31 11.168 1.702 1.815 273 2HG2 ILE 31 2HG2 ILE 31 10.869 2.333 0.197 274 3HG2 ILE 31 3HG2 ILE 31 10.445 0.667 0.585 275 1HD1 ILE 31 1HD1 ILE 31 14.878 0.838 -1.009 276 2HD1 ILE 31 2HD1 ILE 31 13.681 0.203 -2.137 277 3HD1 ILE 31 3HD1 ILE 31 14.444 1.762 -2.446 278 H LYS 32 H LYS 32 12.268 2.660 3.099 279 HA LYS 32 HA LYS 32 13.238 5.179 2.123 280 1HB LYS 32 1HB LYS 32 11.377 4.306 4.293 281 2HB LYS 32 2HB LYS 32 12.026 5.939 4.342 282 1HG LYS 32 1HG LYS 32 11.166 5.630 1.726 283 2HG LYS 32 2HG LYS 32 9.926 4.833 2.696 284 1HD LYS 32 1HD LYS 32 10.858 7.427 3.727 285 2HD LYS 32 2HD LYS 32 9.993 7.493 2.190 286 1HE LYS 32 1HE LYS 32 8.284 7.701 3.739 287 2HE LYS 32 2HE LYS 32 8.264 5.976 3.376 288 1HZ LYS 32 1HZ LYS 32 9.760 7.097 5.672 289 2HZ LYS 32 2HZ LYS 32 8.145 6.610 5.795 290 3HZ LYS 32 3HZ LYS 32 9.338 5.482 5.390 291 H LYS 33 H LYS 33 14.289 2.892 4.456 292 HA LYS 33 HA LYS 33 15.746 4.762 6.083 293 1HB LYS 33 1HB LYS 33 14.874 2.687 7.045 294 2HB LYS 33 2HB LYS 33 15.876 1.745 5.949 295 1HG LYS 33 1HG LYS 33 17.500 3.607 7.403 296 2HG LYS 33 2HG LYS 33 16.522 2.651 8.517 297 1HD LYS 33 1HD LYS 33 17.310 0.652 7.023 298 2HD LYS 33 2HD LYS 33 18.608 1.761 6.573 299 1HE LYS 33 1HE LYS 33 18.287 1.851 9.398 300 2HE LYS 33 2HE LYS 33 18.374 0.160 8.905 301 1HZ LYS 33 1HZ LYS 33 20.319 1.905 7.659 302 2HZ LYS 33 2HZ LYS 33 20.508 1.711 9.330 303 3HZ LYS 33 3HZ LYS 33 20.513 0.358 8.314 304 H LEU 34 H LEU 34 16.530 2.462 3.489 305 HA LEU 34 HA LEU 34 19.344 3.074 3.646 306 1HB LEU 34 1HB LEU 34 17.649 1.401 1.824 307 2HB LEU 34 2HB LEU 34 19.316 1.755 1.415 308 HG LEU 34 HG LEU 34 18.667 0.576 4.088 309 1HD1 LEU 34 1HD1 LEU 34 17.520 -0.790 2.356 310 2HD1 LEU 34 2HD1 LEU 34 19.085 -1.039 1.581 311 3HD1 LEU 34 3HD1 LEU 34 18.801 -1.648 3.210 312 1HD2 LEU 34 1HD2 LEU 34 21.030 0.974 2.369 313 2HD2 LEU 34 2HD2 LEU 34 20.890 0.966 4.127 314 3HD2 LEU 34 3HD2 LEU 34 20.954 -0.558 3.241 315 H LYS 35 H LYS 35 16.579 4.286 1.971 316 HA LYS 35 HA LYS 35 18.139 5.659 -0.048 317 1HB LYS 35 1HB LYS 35 15.932 4.805 -0.647 318 2HB LYS 35 2HB LYS 35 15.191 5.773 0.619 319 1HG LYS 35 1HG LYS 35 16.500 7.679 -0.803 320 2HG LYS 35 2HG LYS 35 16.064 6.532 -2.071 321 1HD LYS 35 1HD LYS 35 14.106 7.603 -0.045 322 2HD LYS 35 2HD LYS 35 14.369 8.335 -1.630 323 1HE LYS 35 1HE LYS 35 13.620 6.365 -2.745 324 2HE LYS 35 2HE LYS 35 13.597 5.450 -1.238 325 1HZ LYS 35 1HZ LYS 35 11.839 7.757 -1.879 326 2HZ LYS 35 2HZ LYS 35 11.375 6.130 -1.912 327 3HZ LYS 35 3HZ LYS 35 11.806 6.858 -0.447 328 H GLN 36 H GLN 36 16.773 6.285 3.076 329 HA GLN 36 HA GLN 36 16.965 9.158 2.851 330 1HB GLN 36 1HB GLN 36 16.240 7.250 5.050 331 2HB GLN 36 2HB GLN 36 16.581 8.934 5.421 332 1HG GLN 36 1HG GLN 36 14.792 9.670 4.008 333 2HG GLN 36 2HG GLN 36 14.513 8.026 3.436 334 2HE2 GLN 36 2HE2 GLN 36 14.191 10.223 6.120 335 1HE2 GLN 36 1HE2 GLN 36 13.054 9.281 7.014 336 H SER 37 H SER 37 18.880 6.515 4.118 337 HA SER 37 HA SER 37 20.745 8.178 5.517 338 1HB SER 37 1HB SER 37 20.824 5.278 4.668 339 2HB SER 37 2HB SER 37 22.124 6.052 5.573 340 HG SER 37 HG SER 37 20.461 4.921 6.835 341 H GLU 38 H GLU 38 20.389 7.049 2.262 342 HA GLU 38 HA GLU 38 23.116 7.490 1.487 343 1HB GLU 38 1HB GLU 38 21.751 5.881 0.278 344 2HB GLU 38 2HB GLU 38 20.606 7.140 -0.161 345 1HG GLU 38 1HG GLU 38 22.791 8.227 -1.203 346 2HG GLU 38 2HG GLU 38 23.284 6.535 -1.267 347 H ASP 39 H ASP 39 20.231 9.406 1.691 348 HA ASP 39 HA ASP 39 21.739 11.711 0.659 349 1HB ASP 39 1HB ASP 39 19.729 10.625 -0.771 350 2HB ASP 39 2HB ASP 39 18.801 11.717 0.251 351 H ASP 40 H ASP 40 21.192 10.700 3.385 352 HA ASP 40 HA ASP 40 19.206 12.176 4.683 353 1HB ASP 40 1HB ASP 40 20.924 10.279 5.489 354 2HB ASP 40 2HB ASP 40 21.748 11.692 6.142 355 H ASP 41 H ASP 41 19.289 14.099 5.904 356 HA ASP 41 HA ASP 41 21.586 15.809 5.843 357 1HB ASP 41 1HB ASP 41 19.694 15.983 3.685 358 2HB ASP 41 2HB ASP 41 19.643 17.466 4.634 359 H1 ALA 1 H1 ALA 1 28.708 9.897 -9.689 360 H2 ALA 1 H2 ALA 1 27.503 9.433 -10.819 361 H3 ALA 1 H3 ALA 1 27.051 10.079 -9.295 362 HA ALA 1 HA ALA 1 26.721 7.773 -9.258 363 1HB ALA 1 1HB ALA 1 29.282 7.789 -10.674 364 2HB ALA 1 2HB ALA 1 29.151 6.547 -9.430 365 3HB ALA 1 3HB ALA 1 27.959 6.623 -10.728 366 H LEU 2 H LEU 2 27.351 6.383 -7.455 367 HA LEU 2 HA LEU 2 29.369 7.012 -5.620 368 1HB LEU 2 1HB LEU 2 27.912 9.067 -5.401 369 2HB LEU 2 2HB LEU 2 26.670 8.023 -4.739 370 HG LEU 2 HG LEU 2 28.665 7.359 -3.088 371 1HD1 LEU 2 1HD1 LEU 2 30.065 9.110 -4.436 372 2HD1 LEU 2 2HD1 LEU 2 29.226 10.269 -3.405 373 3HD1 LEU 2 3HD1 LEU 2 30.216 9.001 -2.683 374 1HD2 LEU 2 1HD2 LEU 2 26.386 9.085 -3.018 375 2HD2 LEU 2 2HD2 LEU 2 27.092 8.121 -1.723 376 3HD2 LEU 2 3HD2 LEU 2 27.668 9.761 -2.014 377 H LYS 3 H LYS 3 29.526 4.774 -5.572 378 HA LYS 3 HA LYS 3 29.147 2.667 -4.803 379 1HB LYS 3 1HB LYS 3 27.643 4.365 -2.860 380 2HB LYS 3 2HB LYS 3 27.421 2.621 -2.798 381 1HG LYS 3 1HG LYS 3 29.114 3.085 -1.252 382 2HG LYS 3 2HG LYS 3 29.949 2.452 -2.671 383 1HD LYS 3 1HD LYS 3 31.252 4.280 -2.243 384 2HD LYS 3 2HD LYS 3 30.053 5.016 -3.309 385 1HE LYS 3 1HE LYS 3 28.761 5.635 -1.237 386 2HE LYS 3 2HE LYS 3 30.164 5.121 -0.301 387 1HZ LYS 3 1HZ LYS 3 30.631 7.020 -2.466 388 2HZ LYS 3 2HZ LYS 3 29.833 7.605 -1.095 389 3HZ LYS 3 3HZ LYS 3 31.368 6.908 -0.949 390 H LYS 4 H LYS 4 28.112 1.216 -5.993 391 HA LYS 4 HA LYS 4 25.275 1.682 -6.623 392 1HB LYS 4 1HB LYS 4 27.544 0.574 -8.179 393 2HB LYS 4 2HB LYS 4 25.972 -0.170 -8.433 394 1HG LYS 4 1HG LYS 4 26.564 1.685 -10.013 395 2HG LYS 4 2HG LYS 4 25.022 1.866 -9.174 396 1HD LYS 4 1HD LYS 4 26.211 3.309 -7.500 397 2HD LYS 4 2HD LYS 4 27.625 3.254 -8.555 398 1HE LYS 4 1HE LYS 4 26.745 5.092 -9.488 399 2HE LYS 4 2HE LYS 4 25.663 3.965 -10.304 400 1HZ LYS 4 1HZ LYS 4 24.386 4.329 -7.988 401 2HZ LYS 4 2HZ LYS 4 25.108 5.847 -8.174 402 3HZ LYS 4 3HZ LYS 4 24.087 5.242 -9.379 403 H HIS 5 H HIS 5 26.627 0.242 -4.275 404 HA HIS 5 HA HIS 5 25.627 -2.471 -4.650 405 1HB HIS 5 1HB HIS 5 26.798 -1.439 -2.085 406 2HB HIS 5 2HB HIS 5 26.839 -3.072 -2.745 407 HD1 HIS 5 HD1 HIS 5 27.844 -1.689 -5.612 408 HD2 HIS 5 HD2 HIS 5 29.645 -1.641 -1.868 409 HE1 HIS 5 HE1 HIS 5 30.284 -1.256 -6.045 410 HE2 HIS 5 HE2 HIS 5 31.355 -1.230 -3.765 411 H HIS 6 H HIS 6 25.305 0.041 -2.138 412 HA HIS 6 HA HIS 6 23.052 -1.063 -0.901 413 1HB HIS 6 1HB HIS 6 24.155 1.738 -1.000 414 2HB HIS 6 2HB HIS 6 22.693 1.355 -0.097 415 HD1 HIS 6 HD1 HIS 6 24.950 -1.440 0.126 416 HD2 HIS 6 HD2 HIS 6 24.547 2.211 2.069 417 HE1 HIS 6 HE1 HIS 6 26.253 -1.669 2.265 418 HE2 HIS 6 HE2 HIS 6 25.996 0.553 3.425 419 H GLU 7 H GLU 7 23.379 0.738 -3.828 420 HA GLU 7 HA GLU 7 20.696 1.691 -3.978 421 1HB GLU 7 1HB GLU 7 22.718 2.574 -5.258 422 2HB GLU 7 2HB GLU 7 22.529 1.184 -6.318 423 1HG GLU 7 1HG GLU 7 21.405 2.851 -7.446 424 2HG GLU 7 2HG GLU 7 20.106 2.007 -6.603 425 H ASN 8 H ASN 8 22.397 -1.137 -5.258 426 HA ASN 8 HA ASN 8 20.290 -2.183 -6.785 427 1HB ASN 8 1HB ASN 8 22.729 -3.367 -5.501 428 2HB ASN 8 2HB ASN 8 21.526 -4.430 -6.227 429 2HD2 ASN 8 2HD2 ASN 8 24.376 -3.216 -6.833 430 1HD2 ASN 8 1HD2 ASN 8 24.287 -2.943 -8.536 431 H GLU 9 H GLU 9 21.222 -2.724 -3.404 432 HA GLU 9 HA GLU 9 19.269 -4.639 -2.794 433 1HB GLU 9 1HB GLU 9 21.305 -3.807 -1.401 434 2HB GLU 9 2HB GLU 9 20.187 -2.596 -0.790 435 1HG GLU 9 1HG GLU 9 19.746 -4.119 0.781 436 2HG GLU 9 2HG GLU 9 18.731 -4.856 -0.458 437 H ILE 10 H ILE 10 19.201 -1.094 -2.382 438 HA ILE 10 HA ILE 10 16.505 -1.086 -1.481 439 HB ILE 10 HB ILE 10 16.549 1.338 -1.842 440 1HG1 ILE 10 1HG1 ILE 10 19.245 0.773 -3.083 441 2HG1 ILE 10 2HG1 ILE 10 17.854 1.529 -3.854 442 1HG2 ILE 10 1HG2 ILE 10 17.558 0.185 0.166 443 2HG2 ILE 10 2HG2 ILE 10 19.133 0.469 -0.577 444 3HG2 ILE 10 3HG2 ILE 10 18.104 1.834 -0.139 445 1HD1 ILE 10 1HD1 ILE 10 18.564 2.998 -1.504 446 2HD1 ILE 10 2HD1 ILE 10 19.982 2.782 -2.534 447 3HD1 ILE 10 3HD1 ILE 10 18.523 3.528 -3.188 448 H SER 11 H SER 11 17.887 -1.562 -4.537 449 HA SER 11 HA SER 11 15.845 -0.386 -6.135 450 1HB SER 11 1HB SER 11 18.306 -1.574 -6.638 451 2HB SER 11 2HB SER 11 17.151 -2.728 -7.305 452 HG SER 11 HG SER 11 17.989 -0.629 -8.499 453 H HIS 12 H HIS 12 16.459 -3.581 -4.751 454 HA HIS 12 HA HIS 12 14.138 -4.777 -5.907 455 1HB HIS 12 1HB HIS 12 15.202 -6.635 -5.260 456 2HB HIS 12 2HB HIS 12 16.416 -5.651 -4.466 457 HD1 HIS 12 HD1 HIS 12 12.928 -6.904 -3.541 458 HD2 HIS 12 HD2 HIS 12 16.721 -6.427 -1.914 459 HE1 HIS 12 HE1 HIS 12 12.774 -7.814 -1.201 460 HE2 HIS 12 HE2 HIS 12 15.082 -7.519 -0.234 461 H HIS 13 H HIS 13 14.859 -3.214 -2.814 462 HA HIS 13 HA HIS 13 12.384 -3.825 -1.569 463 1HB HIS 13 1HB HIS 13 13.968 -1.333 -0.992 464 2HB HIS 13 2HB HIS 13 12.975 -2.278 0.108 465 HD1 HIS 13 HD1 HIS 13 14.387 -5.042 -0.797 466 HD2 HIS 13 HD2 HIS 13 16.214 -1.589 0.602 467 HE1 HIS 13 HE1 HIS 13 16.598 -5.791 0.142 468 HE2 HIS 13 HE2 HIS 13 17.693 -3.682 0.984 469 H ALA 14 H ALA 14 13.379 -1.455 -3.891 470 HA ALA 14 HA ALA 14 11.252 0.385 -3.516 471 1HB ALA 14 1HB ALA 14 13.021 -0.137 -5.903 472 2HB ALA 14 2HB ALA 14 13.243 1.098 -4.664 473 3HB ALA 14 3HB ALA 14 11.882 1.203 -5.781 474 H LYS 15 H LYS 15 11.790 -2.270 -5.813 475 HA LYS 15 HA LYS 15 9.256 -2.031 -7.070 476 1HB LYS 15 1HB LYS 15 11.354 -4.175 -6.967 477 2HB LYS 15 2HB LYS 15 9.798 -4.495 -7.719 478 1HG LYS 15 1HG LYS 15 10.144 -2.770 -9.333 479 2HG LYS 15 2HG LYS 15 11.600 -2.218 -8.502 480 1HD LYS 15 1HD LYS 15 12.782 -4.196 -9.081 481 2HD LYS 15 2HD LYS 15 11.309 -4.990 -9.643 482 1HE LYS 15 1HE LYS 15 12.379 -2.479 -10.904 483 2HE LYS 15 2HE LYS 15 12.878 -4.086 -11.427 484 1HZ LYS 15 1HZ LYS 15 10.151 -4.207 -11.367 485 2HZ LYS 15 2HZ LYS 15 10.465 -2.667 -11.990 486 3HZ LYS 15 3HZ LYS 15 11.111 -4.032 -12.750 487 H GLU 16 H GLU 16 10.288 -3.390 -4.082 488 HA GLU 16 HA GLU 16 8.136 -5.258 -3.788 489 1HB GLU 16 1HB GLU 16 10.161 -4.125 -1.863 490 2HB GLU 16 2HB GLU 16 8.915 -5.261 -1.365 491 1HG GLU 16 1HG GLU 16 10.418 -6.139 -3.702 492 2HG GLU 16 2HG GLU 16 11.411 -5.915 -2.264 493 H ILE 17 H ILE 17 8.781 -1.963 -2.602 494 HA ILE 17 HA ILE 17 6.319 -1.862 -1.109 495 HB ILE 17 HB ILE 17 8.254 -0.543 -0.404 496 1HG1 ILE 17 1HG1 ILE 17 5.828 0.196 -0.026 497 2HG1 ILE 17 2HG1 ILE 17 7.086 1.401 0.218 498 1HG2 ILE 17 1HG2 ILE 17 8.247 0.266 -3.172 499 2HG2 ILE 17 2HG2 ILE 17 8.274 1.665 -2.098 500 3HG2 ILE 17 3HG2 ILE 17 9.515 0.419 -1.956 501 1HD1 ILE 17 1HD1 ILE 17 6.258 1.555 -2.485 502 2HD1 ILE 17 2HD1 ILE 17 4.817 1.521 -1.470 503 3HD1 ILE 17 3HD1 ILE 17 6.057 2.744 -1.198 504 H GLU 18 H GLU 18 7.328 -1.145 -4.341 505 HA GLU 18 HA GLU 18 5.039 0.491 -4.968 506 1HB GLU 18 1HB GLU 18 7.113 0.876 -6.168 507 2HB GLU 18 2HB GLU 18 7.140 -0.791 -6.726 508 1HG GLU 18 1HG GLU 18 5.735 -0.380 -8.411 509 2HG GLU 18 2HG GLU 18 4.702 0.657 -7.429 510 H ARG 19 H ARG 19 5.970 -2.870 -5.211 511 HA ARG 19 HA ARG 19 3.815 -3.657 -6.912 512 1HB ARG 19 1HB ARG 19 5.979 -4.921 -6.593 513 2HB ARG 19 2HB ARG 19 5.382 -5.409 -5.013 514 1HG ARG 19 1HG ARG 19 4.122 -7.020 -5.883 515 2HG ARG 19 2HG ARG 19 3.460 -5.944 -7.116 516 1HD ARG 19 1HD ARG 19 4.583 -7.512 -8.390 517 2HD ARG 19 2HD ARG 19 5.780 -6.224 -8.242 518 HE ARG 19 HE ARG 19 7.094 -7.625 -6.983 519 1HH1 ARG 19 1HH1 ARG 19 3.910 -8.995 -7.312 520 2HH1 ARG 19 2HH1 ARG 19 4.358 -10.526 -6.637 521 1HH2 ARG 19 1HH2 ARG 19 7.696 -9.637 -6.092 522 2HH2 ARG 19 2HH2 ARG 19 6.510 -10.891 -5.943 523 H LEU 20 H LEU 20 4.415 -3.839 -3.407 524 HA LEU 20 HA LEU 20 1.935 -5.036 -2.772 525 1HB LEU 20 1HB LEU 20 4.032 -3.560 -1.235 526 2HB LEU 20 2HB LEU 20 2.483 -3.870 -0.477 527 HG LEU 20 HG LEU 20 4.344 -5.537 -0.009 528 1HD1 LEU 20 1HD1 LEU 20 1.674 -5.816 -0.026 529 2HD1 LEU 20 2HD1 LEU 20 2.117 -7.071 -1.183 530 3HD1 LEU 20 3HD1 LEU 20 2.786 -7.100 0.450 531 1HD2 LEU 20 1HD2 LEU 20 3.775 -6.172 -2.892 532 2HD2 LEU 20 2HD2 LEU 20 5.330 -5.839 -2.130 533 3HD2 LEU 20 3HD2 LEU 20 4.481 -7.343 -1.779 534 H GLN 21 H GLN 21 3.028 -1.712 -3.101 535 HA GLN 21 HA GLN 21 0.751 -0.433 -2.055 536 1HB GLN 21 1HB GLN 21 2.796 0.804 -2.404 537 2HB GLN 21 2HB GLN 21 2.754 0.472 -4.130 538 1HG GLN 21 1HG GLN 21 0.399 1.851 -3.017 539 2HG GLN 21 2HG GLN 21 1.907 2.763 -3.028 540 2HE2 GLN 21 2HE2 GLN 21 3.132 2.164 -5.264 541 1HE2 GLN 21 1HE2 GLN 21 2.167 2.514 -6.654 542 H LYS 22 H LYS 22 1.503 -1.737 -5.222 543 HA LYS 22 HA LYS 22 -0.617 -0.596 -6.667 544 1HB LYS 22 1HB LYS 22 1.203 -1.665 -7.832 545 2HB LYS 22 2HB LYS 22 0.865 -3.202 -7.046 546 1HG LYS 22 1HG LYS 22 -1.411 -3.093 -8.196 547 2HG LYS 22 2HG LYS 22 -0.708 -1.810 -9.184 548 1HD LYS 22 1HD LYS 22 -0.473 -3.896 -10.353 549 2HD LYS 22 2HD LYS 22 1.122 -3.372 -9.811 550 1HE LYS 22 1HE LYS 22 1.350 -5.110 -8.388 551 2HE LYS 22 2HE LYS 22 -0.353 -5.094 -7.933 552 1HZ LYS 22 1HZ LYS 22 -0.671 -6.001 -10.328 553 2HZ LYS 22 2HZ LYS 22 0.952 -6.456 -10.187 554 3HZ LYS 22 3HZ LYS 22 -0.191 -7.050 -9.091 555 H GLU 23 H GLU 23 -0.365 -3.757 -5.044 556 HA GLU 23 HA GLU 23 -2.941 -4.670 -5.599 557 1HB GLU 23 1HB GLU 23 -0.779 -5.636 -4.209 558 2HB GLU 23 2HB GLU 23 -1.956 -5.382 -2.928 559 1HG GLU 23 1HG GLU 23 -3.411 -6.951 -3.766 560 2HG GLU 23 2HG GLU 23 -2.777 -6.820 -5.406 561 H ILE 24 H ILE 24 -1.761 -2.715 -2.890 562 HA ILE 24 HA ILE 24 -4.210 -2.609 -1.495 563 HB ILE 24 HB ILE 24 -3.224 -1.203 -0.008 564 1HG1 ILE 24 1HG1 ILE 24 -1.296 0.444 -0.943 565 2HG1 ILE 24 2HG1 ILE 24 -2.303 0.313 -2.383 566 1HG2 ILE 24 1HG2 ILE 24 -1.503 -3.029 -0.987 567 2HG2 ILE 24 2HG2 ILE 24 -0.553 -1.553 -1.157 568 3HG2 ILE 24 3HG2 ILE 24 -1.187 -2.013 0.419 569 1HD1 ILE 24 1HD1 ILE 24 -3.963 0.743 -0.099 570 2HD1 ILE 24 2HD1 ILE 24 -2.687 1.962 -0.148 571 3HD1 ILE 24 3HD1 ILE 24 -3.755 1.746 -1.535 572 H GLU 25 H GLU 25 -2.962 -0.890 -4.232 573 HA GLU 25 HA GLU 25 -4.765 1.292 -4.220 574 1HB GLU 25 1HB GLU 25 -2.622 0.389 -5.828 575 2HB GLU 25 2HB GLU 25 -4.011 0.555 -6.893 576 1HG GLU 25 1HG GLU 25 -4.314 2.863 -6.094 577 2HG GLU 25 2HG GLU 25 -2.870 2.685 -5.098 578 H ARG 26 H ARG 26 -4.892 -1.966 -5.532 579 HA ARG 26 HA ARG 26 -7.198 -1.666 -7.119 580 1HB ARG 26 1HB ARG 26 -5.445 -3.692 -6.683 581 2HB ARG 26 2HB ARG 26 -6.825 -4.263 -5.758 582 1HG ARG 26 1HG ARG 26 -7.637 -3.293 -8.351 583 2HG ARG 26 2HG ARG 26 -6.403 -4.548 -8.485 584 1HD ARG 26 1HD ARG 26 -7.751 -5.995 -7.018 585 2HD ARG 26 2HD ARG 26 -8.994 -4.747 -6.953 586 HE ARG 26 HE ARG 26 -8.311 -5.593 -9.619 587 1HH1 ARG 26 1HH1 ARG 26 -10.324 -6.175 -6.838 588 2HH1 ARG 26 2HH1 ARG 26 -11.560 -6.988 -7.741 589 1HH2 ARG 26 1HH2 ARG 26 -9.933 -6.660 -10.818 590 2HH2 ARG 26 2HH2 ARG 26 -11.337 -7.263 -10.003 591 H HIS 27 H HIS 27 -6.809 -2.907 -3.796 592 HA HIS 27 HA HIS 27 -9.586 -3.128 -3.289 593 1HB HIS 27 1HB HIS 27 -7.155 -3.621 -1.878 594 2HB HIS 27 2HB HIS 27 -8.185 -2.625 -0.855 595 HD1 HIS 27 HD1 HIS 27 -10.692 -3.634 -0.494 596 HD2 HIS 27 HD2 HIS 27 -7.772 -6.266 -1.843 597 HE1 HIS 27 HE1 HIS 27 -11.599 -5.936 -0.038 598 HE2 HIS 27 HE2 HIS 27 -9.815 -7.513 -0.861 599 H LYS 28 H LYS 28 -7.389 -0.477 -3.318 600 HA LYS 28 HA LYS 28 -8.950 1.255 -1.652 601 1HB LYS 28 1HB LYS 28 -6.434 1.393 -2.036 602 2HB LYS 28 2HB LYS 28 -6.814 2.092 -3.603 603 1HG LYS 28 1HG LYS 28 -8.271 3.728 -2.138 604 2HG LYS 28 2HG LYS 28 -7.127 3.241 -0.885 605 1HD LYS 28 1HD LYS 28 -6.485 4.496 -3.551 606 2HD LYS 28 2HD LYS 28 -6.300 5.229 -1.956 607 1HE LYS 28 1HE LYS 28 -4.639 3.492 -1.388 608 2HE LYS 28 2HE LYS 28 -4.790 2.844 -3.020 609 1HZ LYS 28 1HZ LYS 28 -4.148 5.169 -3.771 610 2HZ LYS 28 2HZ LYS 28 -3.660 5.442 -2.174 611 3HZ LYS 28 3HZ LYS 28 -2.927 4.221 -3.086 612 H GLN 29 H GLN 29 -8.888 0.383 -4.989 613 HA GLN 29 HA GLN 29 -10.231 2.725 -5.953 614 1HB GLN 29 1HB GLN 29 -8.845 1.446 -7.474 615 2HB GLN 29 2HB GLN 29 -9.800 -0.001 -7.188 616 1HG GLN 29 1HG GLN 29 -11.770 1.346 -8.112 617 2HG GLN 29 2HG GLN 29 -10.547 2.467 -8.708 618 2HE2 GLN 29 2HE2 GLN 29 -12.277 1.108 -10.391 619 1HE2 GLN 29 1HE2 GLN 29 -11.372 -0.015 -11.342 620 H SER 30 H SER 30 -11.173 -0.579 -5.096 621 HA SER 30 HA SER 30 -13.901 -0.314 -5.802 622 1HB SER 30 1HB SER 30 -12.475 -2.173 -3.893 623 2HB SER 30 2HB SER 30 -14.200 -2.290 -4.234 624 HG SER 30 HG SER 30 -13.043 -3.666 -5.600 625 H ILE 31 H ILE 31 -12.171 0.119 -2.734 626 HA ILE 31 HA ILE 31 -14.475 0.723 -1.190 627 HB ILE 31 HB ILE 31 -12.412 -0.017 -0.143 628 1HG1 ILE 31 1HG1 ILE 31 -12.154 1.899 1.550 629 2HG1 ILE 31 2HG1 ILE 31 -13.386 2.735 0.603 630 1HG2 ILE 31 1HG2 ILE 31 -10.875 1.108 -1.726 631 2HG2 ILE 31 2HG2 ILE 31 -11.247 2.645 -0.952 632 3HG2 ILE 31 3HG2 ILE 31 -10.439 1.372 -0.040 633 1HD1 ILE 31 1HD1 ILE 31 -14.685 0.479 0.945 634 2HD1 ILE 31 2HD1 ILE 31 -13.606 0.344 2.332 635 3HD1 ILE 31 3HD1 ILE 31 -14.677 1.736 2.182 636 H LYS 32 H LYS 32 -12.242 2.678 -3.071 637 HA LYS 32 HA LYS 32 -13.242 5.185 -2.122 638 1HB LYS 32 1HB LYS 32 -11.377 4.315 -4.289 639 2HB LYS 32 2HB LYS 32 -12.030 5.946 -4.339 640 1HG LYS 32 1HG LYS 32 -11.175 5.640 -1.722 641 2HG LYS 32 2HG LYS 32 -9.931 4.841 -2.687 642 1HD LYS 32 1HD LYS 32 -10.860 7.434 -3.725 643 2HD LYS 32 2HD LYS 32 -10.001 7.503 -2.185 644 1HE LYS 32 1HE LYS 32 -8.284 7.708 -3.727 645 2HE LYS 32 2HE LYS 32 -8.268 5.983 -3.364 646 1HZ LYS 32 1HZ LYS 32 -9.756 7.106 -5.665 647 2HZ LYS 32 2HZ LYS 32 -8.140 6.621 -5.782 648 3HZ LYS 32 3HZ LYS 32 -9.334 5.491 -5.382 649 H LYS 33 H LYS 33 -14.295 2.895 -4.449 650 HA LYS 33 HA LYS 33 -15.751 4.766 -6.077 651 1HB LYS 33 1HB LYS 33 -14.876 2.688 -7.037 652 2HB LYS 33 2HB LYS 33 -15.887 1.750 -5.947 653 1HG LYS 33 1HG LYS 33 -17.500 3.618 -7.404 654 2HG LYS 33 2HG LYS 33 -16.518 2.662 -8.517 655 1HD LYS 33 1HD LYS 33 -17.316 0.661 -7.035 656 2HD LYS 33 2HD LYS 33 -18.612 1.770 -6.582 657 1HE LYS 33 1HE LYS 33 -18.287 1.874 -9.405 658 2HE LYS 33 2HE LYS 33 -18.375 0.180 -8.922 659 1HZ LYS 33 1HZ LYS 33 -20.321 1.922 -7.670 660 2HZ LYS 33 2HZ LYS 33 -20.508 1.734 -9.342 661 3HZ LYS 33 3HZ LYS 33 -20.517 0.377 -8.332 662 H LEU 34 H LEU 34 -16.533 2.468 -3.481 663 HA LEU 34 HA LEU 34 -19.349 3.079 -3.637 664 1HB LEU 34 1HB LEU 34 -17.654 1.402 -1.818 665 2HB LEU 34 2HB LEU 34 -19.324 1.753 -1.414 666 HG LEU 34 HG LEU 34 -18.666 0.582 -4.089 667 1HD1 LEU 34 1HD1 LEU 34 -17.521 -0.788 -2.361 668 2HD1 LEU 34 2HD1 LEU 34 -19.086 -1.041 -1.587 669 3HD1 LEU 34 3HD1 LEU 34 -18.802 -1.645 -3.219 670 1HD2 LEU 34 1HD2 LEU 34 -21.033 0.971 -2.375 671 2HD2 LEU 34 2HD2 LEU 34 -20.888 0.971 -4.132 672 3HD2 LEU 34 3HD2 LEU 34 -20.952 -0.556 -3.251 673 H LYS 35 H LYS 35 -16.583 4.298 -1.974 674 HA LYS 35 HA LYS 35 -18.140 5.661 0.056 675 1HB LYS 35 1HB LYS 35 -15.935 4.803 0.652 676 2HB LYS 35 2HB LYS 35 -15.192 5.775 -0.612 677 1HG LYS 35 1HG LYS 35 -16.499 7.678 0.813 678 2HG LYS 35 2HG LYS 35 -16.067 6.527 2.080 679 1HD LYS 35 1HD LYS 35 -14.105 7.600 0.060 680 2HD LYS 35 2HD LYS 35 -14.367 8.326 1.647 681 1HE LYS 35 1HE LYS 35 -13.624 6.349 2.756 682 2HE LYS 35 2HE LYS 35 -13.602 5.441 1.245 683 1HZ LYS 35 1HZ LYS 35 -11.838 7.742 1.896 684 2HZ LYS 35 2HZ LYS 35 -11.379 6.114 1.924 685 3HZ LYS 35 3HZ LYS 35 -11.807 6.848 0.461 686 H GLN 36 H GLN 36 -16.773 6.292 -3.067 687 HA GLN 36 HA GLN 36 -16.965 9.164 -2.837 688 1HB GLN 36 1HB GLN 36 -16.242 7.260 -5.041 689 2HB GLN 36 2HB GLN 36 -16.579 8.946 -5.406 690 1HG GLN 36 1HG GLN 36 -14.789 9.672 -3.988 691 2HG GLN 36 2HG GLN 36 -14.513 8.025 -3.424 692 2HE2 GLN 36 2HE2 GLN 36 -14.188 10.238 -6.095 693 1HE2 GLN 36 1HE2 GLN 36 -13.051 9.298 -6.995 694 H SER 37 H SER 37 -18.877 6.522 -4.114 695 HA SER 37 HA SER 37 -20.743 8.187 -5.507 696 1HB SER 37 1HB SER 37 -20.821 5.285 -4.667 697 2HB SER 37 2HB SER 37 -22.122 6.061 -5.570 698 HG SER 37 HG SER 37 -20.459 4.935 -6.835 699 H GLU 38 H GLU 38 -20.388 7.051 -2.256 700 HA GLU 38 HA GLU 38 -23.116 7.490 -1.481 701 1HB GLU 38 1HB GLU 38 -21.753 5.875 -0.276 702 2HB GLU 38 2HB GLU 38 -20.607 7.132 0.168 703 1HG GLU 38 1HG GLU 38 -22.791 8.218 1.211 704 2HG GLU 38 2HG GLU 38 -23.286 6.527 1.270 705 H ASP 39 H ASP 39 -20.229 9.405 -1.675 706 HA ASP 39 HA ASP 39 -21.737 11.706 -0.636 707 1HB ASP 39 1HB ASP 39 -19.729 10.614 0.791 708 2HB ASP 39 2HB ASP 39 -18.799 11.711 -0.226 709 H ASP 40 H ASP 40 -21.189 10.704 -3.365 710 HA ASP 40 HA ASP 40 -19.203 12.185 -4.657 711 1HB ASP 40 1HB ASP 40 -20.921 10.290 -5.470 712 2HB ASP 40 2HB ASP 40 -21.744 11.706 -6.118 713 H ASP 41 H ASP 41 -19.285 14.112 -5.871 714 HA ASP 41 HA ASP 41 -21.583 15.821 -5.805 715 1HB ASP 41 1HB ASP 41 -19.692 15.989 -3.645 716 2HB ASP 41 2HB ASP 41 -19.640 17.475 -4.590 No H/Q in entry = 716 Start of MODEL 28 1 H1 ALA 1 H1 ALA 1 -22.666 15.229 2.817 2 H2 ALA 1 H2 ALA 1 -23.666 15.386 1.431 3 H3 ALA 1 H3 ALA 1 -24.362 15.026 2.958 4 HA ALA 1 HA ALA 1 -24.315 13.083 1.665 5 1HB ALA 1 1HB ALA 1 -21.416 12.820 1.510 6 2HB ALA 1 2HB ALA 1 -22.049 14.159 0.552 7 3HB ALA 1 3HB ALA 1 -22.650 12.522 0.286 8 H LEU 2 H LEU 2 -24.146 11.125 2.716 9 HA LEU 2 HA LEU 2 -22.348 10.801 4.954 10 1HB LEU 2 1HB LEU 2 -25.203 11.458 5.293 11 2HB LEU 2 2HB LEU 2 -24.630 10.101 6.245 12 HG LEU 2 HG LEU 2 -22.689 11.988 6.706 13 1HD1 LEU 2 1HD1 LEU 2 -25.167 13.342 5.923 14 2HD1 LEU 2 2HD1 LEU 2 -24.506 13.855 7.475 15 3HD1 LEU 2 3HD1 LEU 2 -23.516 13.955 6.020 16 1HD2 LEU 2 1HD2 LEU 2 -24.104 10.434 8.229 17 2HD2 LEU 2 2HD2 LEU 2 -23.428 11.921 8.894 18 3HD2 LEU 2 3HD2 LEU 2 -25.128 11.855 8.428 19 H LYS 3 H LYS 3 -25.508 9.315 4.348 20 HA LYS 3 HA LYS 3 -26.122 7.193 3.808 21 1HB LYS 3 1HB LYS 3 -23.558 7.540 2.344 22 2HB LYS 3 2HB LYS 3 -24.175 5.901 2.506 23 1HG LYS 3 1HG LYS 3 -25.301 6.365 0.636 24 2HG LYS 3 2HG LYS 3 -26.403 7.236 1.705 25 1HD LYS 3 1HD LYS 3 -24.365 9.051 1.206 26 2HD LYS 3 2HD LYS 3 -24.616 8.247 -0.346 27 1HE LYS 3 1HE LYS 3 -27.179 8.686 0.472 28 2HE LYS 3 2HE LYS 3 -26.349 10.098 1.126 29 1HZ LYS 3 1HZ LYS 3 -25.469 10.541 -1.096 30 2HZ LYS 3 2HZ LYS 3 -26.319 9.213 -1.710 31 3HZ LYS 3 3HZ LYS 3 -27.162 10.542 -1.089 32 H LYS 4 H LYS 4 -26.080 5.160 4.717 33 HA LYS 4 HA LYS 4 -23.968 4.722 6.722 34 1HB LYS 4 1HB LYS 4 -25.848 3.131 7.668 35 2HB LYS 4 2HB LYS 4 -25.862 4.854 8.015 36 1HG LYS 4 1HG LYS 4 -27.464 5.192 6.181 37 2HG LYS 4 2HG LYS 4 -27.475 3.452 5.892 38 1HD LYS 4 1HD LYS 4 -29.030 3.194 7.460 39 2HD LYS 4 2HD LYS 4 -27.947 3.899 8.661 40 1HE LYS 4 1HE LYS 4 -28.716 6.162 7.633 41 2HE LYS 4 2HE LYS 4 -30.071 5.215 7.018 42 1HZ LYS 4 1HZ LYS 4 -29.956 4.468 9.607 43 2HZ LYS 4 2HZ LYS 4 -29.517 6.099 9.702 44 3HZ LYS 4 3HZ LYS 4 -30.987 5.658 8.991 45 H HIS 5 H HIS 5 -26.155 3.004 4.505 46 HA HIS 5 HA HIS 5 -25.111 0.455 4.738 47 1HB HIS 5 1HB HIS 5 -25.812 0.299 2.220 48 2HB HIS 5 2HB HIS 5 -27.041 0.546 3.456 49 HD1 HIS 5 HD1 HIS 5 -28.466 2.599 3.253 50 HD2 HIS 5 HD2 HIS 5 -25.141 2.716 0.763 51 HE1 HIS 5 HE1 HIS 5 -28.790 4.619 1.792 52 HE2 HIS 5 HE2 HIS 5 -26.766 4.672 0.293 53 H HIS 6 H HIS 6 -24.065 3.092 2.614 54 HA HIS 6 HA HIS 6 -22.027 1.646 1.302 55 1HB HIS 6 1HB HIS 6 -22.869 4.457 1.506 56 2HB HIS 6 2HB HIS 6 -21.144 4.244 1.230 57 HD1 HIS 6 HD1 HIS 6 -23.685 1.909 -0.251 58 HD2 HIS 6 HD2 HIS 6 -21.250 5.068 -1.420 59 HE1 HIS 6 HE1 HIS 6 -23.804 1.957 -2.763 60 HE2 HIS 6 HE2 HIS 6 -22.324 3.877 -3.449 61 H GLU 7 H GLU 7 -21.862 3.930 4.034 62 HA GLU 7 HA GLU 7 -19.133 3.734 4.519 63 1HB GLU 7 1HB GLU 7 -21.416 4.847 5.826 64 2HB GLU 7 2HB GLU 7 -20.466 3.975 7.021 65 1HG GLU 7 1HG GLU 7 -18.459 5.250 6.098 66 2HG GLU 7 2HG GLU 7 -19.643 6.286 5.301 67 H ASN 8 H ASN 8 -21.636 1.429 5.049 68 HA ASN 8 HA ASN 8 -20.345 -0.057 7.119 69 1HB ASN 8 1HB ASN 8 -22.479 -0.944 5.162 70 2HB ASN 8 2HB ASN 8 -22.019 -1.783 6.642 71 2HD2 ASN 8 2HD2 ASN 8 -24.614 -1.038 6.168 72 1HD2 ASN 8 1HD2 ASN 8 -25.065 0.215 7.268 73 H GLU 9 H GLU 9 -20.904 -0.808 3.663 74 HA GLU 9 HA GLU 9 -18.975 -2.923 3.669 75 1HB GLU 9 1HB GLU 9 -20.009 -1.482 1.231 76 2HB GLU 9 2HB GLU 9 -19.424 -3.137 1.343 77 1HG GLU 9 1HG GLU 9 -21.363 -3.712 2.732 78 2HG GLU 9 2HG GLU 9 -21.955 -2.060 2.563 79 H ILE 10 H ILE 10 -18.647 0.400 3.691 80 HA ILE 10 HA ILE 10 -16.221 0.502 2.102 81 HB ILE 10 HB ILE 10 -17.888 2.590 3.508 82 1HG1 ILE 10 1HG1 ILE 10 -17.118 2.427 0.601 83 2HG1 ILE 10 2HG1 ILE 10 -18.531 1.598 1.245 84 1HG2 ILE 10 1HG2 ILE 10 -15.484 3.157 3.748 85 2HG2 ILE 10 2HG2 ILE 10 -15.348 3.144 1.990 86 3HG2 ILE 10 3HG2 ILE 10 -16.401 4.316 2.784 87 1HD1 ILE 10 1HD1 ILE 10 -19.201 3.918 2.139 88 2HD1 ILE 10 2HD1 ILE 10 -18.023 4.527 0.978 89 3HD1 ILE 10 3HD1 ILE 10 -19.397 3.573 0.420 90 H SER 11 H SER 11 -17.317 0.445 5.406 91 HA SER 11 HA SER 11 -14.771 1.182 6.529 92 1HB SER 11 1HB SER 11 -17.457 0.528 7.543 93 2HB SER 11 2HB SER 11 -16.142 -0.037 8.573 94 HG SER 11 HG SER 11 -15.367 2.072 8.676 95 H HIS 12 H HIS 12 -16.439 -1.719 5.590 96 HA HIS 12 HA HIS 12 -14.627 -3.487 6.951 97 1HB HIS 12 1HB HIS 12 -16.528 -4.694 6.712 98 2HB HIS 12 2HB HIS 12 -17.090 -3.712 5.372 99 HD1 HIS 12 HD1 HIS 12 -15.329 -6.894 6.164 100 HD2 HIS 12 HD2 HIS 12 -16.420 -4.685 2.822 101 HE1 HIS 12 HE1 HIS 12 -15.025 -8.448 4.209 102 HE2 HIS 12 HE2 HIS 12 -15.695 -7.090 2.192 103 H HIS 13 H HIS 13 -15.207 -2.576 3.531 104 HA HIS 13 HA HIS 13 -12.982 -4.006 2.526 105 1HB HIS 13 1HB HIS 13 -14.372 -1.564 1.406 106 2HB HIS 13 2HB HIS 13 -13.182 -2.525 0.542 107 HD1 HIS 13 HD1 HIS 13 -14.385 -5.324 1.485 108 HD2 HIS 13 HD2 HIS 13 -16.445 -2.180 -0.275 109 HE1 HIS 13 HE1 HIS 13 -16.406 -6.367 0.408 110 HE2 HIS 13 HE2 HIS 13 -17.649 -4.443 -0.644 111 H ALA 14 H ALA 14 -13.346 -0.912 4.065 112 HA ALA 14 HA ALA 14 -10.916 0.270 3.241 113 1HB ALA 14 1HB ALA 14 -12.864 0.747 5.439 114 2HB ALA 14 2HB ALA 14 -11.275 1.503 5.547 115 3HB ALA 14 3HB ALA 14 -12.313 1.831 4.162 116 H LYS 15 H LYS 15 -11.791 -1.543 6.179 117 HA LYS 15 HA LYS 15 -9.273 -1.493 7.393 118 1HB LYS 15 1HB LYS 15 -11.762 -2.990 7.704 119 2HB LYS 15 2HB LYS 15 -10.344 -3.946 8.109 120 1HG LYS 15 1HG LYS 15 -9.644 -2.292 9.725 121 2HG LYS 15 2HG LYS 15 -10.986 -1.241 9.267 122 1HD LYS 15 1HD LYS 15 -12.189 -2.234 10.857 123 2HD LYS 15 2HD LYS 15 -12.166 -3.695 9.865 124 1HE LYS 15 1HE LYS 15 -9.918 -3.037 11.741 125 2HE LYS 15 2HE LYS 15 -11.369 -3.866 12.302 126 1HZ LYS 15 1HZ LYS 15 -10.415 -5.098 9.950 127 2HZ LYS 15 2HZ LYS 15 -9.152 -4.985 11.072 128 3HZ LYS 15 3HZ LYS 15 -10.593 -5.760 11.496 129 H GLU 16 H GLU 16 -10.588 -3.482 4.845 130 HA GLU 16 HA GLU 16 -8.620 -5.507 4.855 131 1HB GLU 16 1HB GLU 16 -10.793 -4.633 3.098 132 2HB GLU 16 2HB GLU 16 -9.435 -5.335 2.231 133 1HG GLU 16 1HG GLU 16 -9.977 -7.391 2.860 134 2HG GLU 16 2HG GLU 16 -10.156 -6.909 4.547 135 H ILE 17 H ILE 17 -8.929 -2.558 2.867 136 HA ILE 17 HA ILE 17 -6.515 -2.910 1.460 137 HB ILE 17 HB ILE 17 -6.840 -0.802 0.550 138 1HG1 ILE 17 1HG1 ILE 17 -8.578 0.753 1.997 139 2HG1 ILE 17 2HG1 ILE 17 -7.671 -0.043 3.279 140 1HG2 ILE 17 1HG2 ILE 17 -9.019 -2.424 0.803 141 2HG2 ILE 17 2HG2 ILE 17 -9.653 -0.866 1.322 142 3HG2 ILE 17 3HG2 ILE 17 -8.904 -1.028 -0.263 143 1HD1 ILE 17 1HD1 ILE 17 -5.962 0.980 1.168 144 2HD1 ILE 17 2HD1 ILE 17 -6.932 2.234 1.941 145 3HD1 ILE 17 3HD1 ILE 17 -5.875 1.211 2.914 146 H GLU 18 H GLU 18 -7.151 -1.840 4.671 147 HA GLU 18 HA GLU 18 -4.700 -0.401 5.030 148 1HB GLU 18 1HB GLU 18 -6.609 0.138 6.423 149 2HB GLU 18 2HB GLU 18 -6.687 -1.515 7.018 150 1HG GLU 18 1HG GLU 18 -5.692 0.080 8.621 151 2HG GLU 18 2HG GLU 18 -4.626 -1.260 8.199 152 H ARG 19 H ARG 19 -5.832 -3.679 5.613 153 HA ARG 19 HA ARG 19 -3.590 -4.574 7.083 154 1HB ARG 19 1HB ARG 19 -5.702 -5.809 7.060 155 2HB ARG 19 2HB ARG 19 -5.516 -6.127 5.341 156 1HG ARG 19 1HG ARG 19 -3.299 -7.263 6.037 157 2HG ARG 19 2HG ARG 19 -4.016 -7.287 7.649 158 1HD ARG 19 1HD ARG 19 -5.132 -9.122 7.084 159 2HD ARG 19 2HD ARG 19 -6.007 -8.184 5.875 160 HE ARG 19 HE ARG 19 -3.725 -8.801 4.591 161 1HH1 ARG 19 1HH1 ARG 19 -6.000 -10.724 6.393 162 2HH1 ARG 19 2HH1 ARG 19 -5.719 -12.160 5.466 163 1HH2 ARG 19 1HH2 ARG 19 -3.345 -10.686 3.364 164 2HH2 ARG 19 2HH2 ARG 19 -4.209 -12.138 3.744 165 H LEU 20 H LEU 20 -4.437 -4.875 3.630 166 HA LEU 20 HA LEU 20 -2.066 -6.151 2.839 167 1HB LEU 20 1HB LEU 20 -3.482 -4.215 1.045 168 2HB LEU 20 2HB LEU 20 -2.722 -5.742 0.640 169 HG LEU 20 HG LEU 20 -5.390 -5.299 1.959 170 1HD1 LEU 20 1HD1 LEU 20 -4.453 -5.967 -0.701 171 2HD1 LEU 20 2HD1 LEU 20 -5.596 -7.156 -0.077 172 3HD1 LEU 20 3HD1 LEU 20 -6.051 -5.454 -0.160 173 1HD2 LEU 20 1HD2 LEU 20 -4.056 -7.105 3.092 174 2HD2 LEU 20 2HD2 LEU 20 -5.579 -7.630 2.372 175 3HD2 LEU 20 3HD2 LEU 20 -4.053 -7.965 1.552 176 H GLN 21 H GLN 21 -2.958 -2.739 3.051 177 HA GLN 21 HA GLN 21 -0.612 -1.643 1.975 178 1HB GLN 21 1HB GLN 21 -2.583 -0.279 2.288 179 2HB GLN 21 2HB GLN 21 -2.538 -0.539 4.026 180 1HG GLN 21 1HG GLN 21 -1.317 1.285 4.249 181 2HG GLN 21 2HG GLN 21 -0.038 0.532 3.296 182 2HE2 GLN 21 2HE2 GLN 21 -0.447 0.626 0.875 183 1HE2 GLN 21 1HE2 GLN 21 -1.015 2.135 0.255 184 H LYS 22 H LYS 22 -1.349 -2.956 5.109 185 HA LYS 22 HA LYS 22 0.772 -1.827 6.578 186 1HB LYS 22 1HB LYS 22 -1.216 -3.060 7.522 187 2HB LYS 22 2HB LYS 22 -0.454 -4.556 7.003 188 1HG LYS 22 1HG LYS 22 1.489 -3.162 8.469 189 2HG LYS 22 2HG LYS 22 -0.015 -3.025 9.380 190 1HD LYS 22 1HD LYS 22 1.137 -5.005 10.100 191 2HD LYS 22 2HD LYS 22 -0.288 -5.491 9.180 192 1HE LYS 22 1HE LYS 22 1.105 -5.857 7.208 193 2HE LYS 22 2HE LYS 22 2.530 -5.352 8.114 194 1HZ LYS 22 1HZ LYS 22 1.503 -7.297 9.673 195 2HZ LYS 22 2HZ LYS 22 1.144 -7.878 8.125 196 3HZ LYS 22 3HZ LYS 22 2.743 -7.520 8.545 197 H GLU 23 H GLU 23 0.484 -4.894 4.813 198 HA GLU 23 HA GLU 23 3.062 -5.863 5.342 199 1HB GLU 23 1HB GLU 23 0.851 -6.693 3.847 200 2HB GLU 23 2HB GLU 23 2.156 -6.555 2.675 201 1HG GLU 23 1HG GLU 23 3.528 -8.061 3.954 202 2HG GLU 23 2HG GLU 23 2.324 -8.118 5.240 203 H ILE 24 H ILE 24 1.863 -3.957 2.584 204 HA ILE 24 HA ILE 24 4.332 -3.785 1.253 205 HB ILE 24 HB ILE 24 3.353 -2.405 -0.265 206 1HG1 ILE 24 1HG1 ILE 24 1.394 -0.781 0.560 207 2HG1 ILE 24 2HG1 ILE 24 2.270 -0.926 2.082 208 1HG2 ILE 24 1HG2 ILE 24 1.784 -4.306 0.256 209 2HG2 ILE 24 2HG2 ILE 24 0.796 -3.128 1.117 210 3HG2 ILE 24 3HG2 ILE 24 1.092 -2.933 -0.606 211 1HD1 ILE 24 1HD1 ILE 24 4.179 -0.460 0.055 212 2HD1 ILE 24 2HD1 ILE 24 2.863 0.694 -0.172 213 3HD1 ILE 24 3HD1 ILE 24 3.698 0.604 1.379 214 H GLU 25 H GLU 25 3.059 -2.125 3.999 215 HA GLU 25 HA GLU 25 4.811 0.110 3.971 216 1HB GLU 25 1HB GLU 25 2.774 -0.989 5.721 217 2HB GLU 25 2HB GLU 25 4.157 -0.410 6.641 218 1HG GLU 25 1HG GLU 25 3.918 1.779 5.829 219 2HG GLU 25 2HG GLU 25 2.826 1.268 4.543 220 H ARG 26 H ARG 26 4.977 -3.148 5.258 221 HA ARG 26 HA ARG 26 7.267 -2.837 6.863 222 1HB ARG 26 1HB ARG 26 5.785 -4.812 6.967 223 2HB ARG 26 2HB ARG 26 6.330 -5.296 5.367 224 1HG ARG 26 1HG ARG 26 8.700 -5.166 6.541 225 2HG ARG 26 2HG ARG 26 7.720 -5.458 7.980 226 1HD ARG 26 1HD ARG 26 6.664 -7.331 6.449 227 2HD ARG 26 2HD ARG 26 8.215 -7.207 5.622 228 HE ARG 26 HE ARG 26 8.485 -7.470 8.461 229 1HH1 ARG 26 1HH1 ARG 26 8.008 -9.218 5.487 230 2HH1 ARG 26 2HH1 ARG 26 8.680 -10.694 6.095 231 1HH2 ARG 26 1HH2 ARG 26 9.371 -9.408 9.272 232 2HH2 ARG 26 2HH2 ARG 26 9.454 -10.803 8.248 233 H HIS 27 H HIS 27 6.873 -3.868 3.475 234 HA HIS 27 HA HIS 27 9.651 -4.147 2.972 235 1HB HIS 27 1HB HIS 27 7.251 -4.552 1.543 236 2HB HIS 27 2HB HIS 27 8.191 -3.398 0.602 237 HD1 HIS 27 HD1 HIS 27 10.489 -4.227 -0.329 238 HD2 HIS 27 HD2 HIS 27 8.232 -7.143 1.585 239 HE1 HIS 27 HE1 HIS 27 11.549 -6.418 -0.961 240 HE2 HIS 27 HE2 HIS 27 10.166 -8.172 0.207 241 H LYS 28 H LYS 28 7.443 -1.478 3.011 242 HA LYS 28 HA LYS 28 9.127 0.348 1.589 243 1HB LYS 28 1HB LYS 28 6.713 0.659 1.598 244 2HB LYS 28 2HB LYS 28 6.716 0.820 3.348 245 1HG LYS 28 1HG LYS 28 8.536 2.723 2.305 246 2HG LYS 28 2HG LYS 28 7.039 2.832 1.377 247 1HD LYS 28 1HD LYS 28 7.337 3.015 4.373 248 2HD LYS 28 2HD LYS 28 6.906 4.321 3.268 249 1HE LYS 28 1HE LYS 28 4.981 2.587 2.633 250 2HE LYS 28 2HE LYS 28 5.269 2.074 4.294 251 1HZ LYS 28 1HZ LYS 28 4.749 4.892 3.533 252 2HZ LYS 28 2HZ LYS 28 3.529 3.821 4.008 253 3HZ LYS 28 3HZ LYS 28 4.764 4.231 5.090 254 H GLN 29 H GLN 29 8.955 -0.813 4.812 255 HA GLN 29 HA GLN 29 10.164 1.477 6.047 256 1HB GLN 29 1HB GLN 29 8.716 0.008 7.350 257 2HB GLN 29 2HB GLN 29 9.786 -1.352 7.042 258 1HG GLN 29 1HG GLN 29 11.398 -0.592 8.495 259 2HG GLN 29 2HG GLN 29 10.863 1.083 8.379 260 2HE2 GLN 29 2HE2 GLN 29 9.213 -1.959 9.160 261 1HE2 GLN 29 1HE2 GLN 29 8.576 -1.425 10.674 262 H SER 30 H SER 30 11.240 -1.693 4.913 263 HA SER 30 HA SER 30 13.933 -1.373 5.795 264 1HB SER 30 1HB SER 30 14.178 -3.213 3.837 265 2HB SER 30 2HB SER 30 13.574 -3.600 5.448 266 HG SER 30 HG SER 30 12.194 -4.389 3.805 267 H ILE 31 H ILE 31 12.257 -0.778 2.744 268 HA ILE 31 HA ILE 31 14.626 -0.078 1.304 269 HB ILE 31 HB ILE 31 12.562 -0.923 0.230 270 1HG1 ILE 31 1HG1 ILE 31 14.391 0.905 -0.715 271 2HG1 ILE 31 2HG1 ILE 31 13.242 0.012 -1.700 272 1HG2 ILE 31 1HG2 ILE 31 11.054 0.460 1.701 273 2HG2 ILE 31 2HG2 ILE 31 11.399 1.815 0.628 274 3HG2 ILE 31 3HG2 ILE 31 10.611 0.370 -0.003 275 1HD1 ILE 31 1HD1 ILE 31 12.314 2.576 -0.547 276 2HD1 ILE 31 2HD1 ILE 31 13.518 2.648 -1.832 277 3HD1 ILE 31 3HD1 ILE 31 11.976 1.840 -2.114 278 H LYS 32 H LYS 32 12.233 1.696 3.171 279 HA LYS 32 HA LYS 32 13.183 4.271 2.301 280 1HB LYS 32 1HB LYS 32 11.598 5.211 3.802 281 2HB LYS 32 2HB LYS 32 10.828 3.799 3.091 282 1HG LYS 32 1HG LYS 32 11.512 2.526 5.147 283 2HG LYS 32 2HG LYS 32 11.987 4.072 5.849 284 1HD LYS 32 1HD LYS 32 9.611 4.846 5.262 285 2HD LYS 32 2HD LYS 32 9.249 3.132 5.054 286 1HE LYS 32 1HE LYS 32 10.533 3.134 7.455 287 2HE LYS 32 2HE LYS 32 9.697 4.686 7.501 288 1HZ LYS 32 1HZ LYS 32 8.051 2.526 6.557 289 2HZ LYS 32 2HZ LYS 32 8.601 2.298 8.142 290 3HZ LYS 32 3HZ LYS 32 7.731 3.691 7.741 291 H LYS 33 H LYS 33 13.987 1.986 4.762 292 HA LYS 33 HA LYS 33 15.322 3.811 6.511 293 1HB LYS 33 1HB LYS 33 14.903 0.907 6.336 294 2HB LYS 33 2HB LYS 33 16.449 1.369 7.033 295 1HG LYS 33 1HG LYS 33 15.186 2.850 8.614 296 2HG LYS 33 2HG LYS 33 13.704 2.112 8.004 297 1HD LYS 33 1HD LYS 33 14.530 1.062 10.092 298 2HD LYS 33 2HD LYS 33 14.431 -0.067 8.739 299 1HE LYS 33 1HE LYS 33 16.688 -0.305 8.594 300 2HE LYS 33 2HE LYS 33 17.005 1.344 9.132 301 1HZ LYS 33 1HZ LYS 33 16.125 -0.886 10.886 302 2HZ LYS 33 2HZ LYS 33 17.710 -0.309 10.763 303 3HZ LYS 33 3HZ LYS 33 16.494 0.687 11.386 304 H LEU 34 H LEU 34 16.302 1.668 3.876 305 HA LEU 34 HA LEU 34 19.092 2.120 4.159 306 1HB LEU 34 1HB LEU 34 17.672 0.321 2.796 307 2HB LEU 34 2HB LEU 34 17.938 1.469 1.497 308 HG LEU 34 HG LEU 34 20.287 0.557 3.094 309 1HD1 LEU 34 1HD1 LEU 34 18.573 -1.169 1.479 310 2HD1 LEU 34 2HD1 LEU 34 20.265 -1.175 0.980 311 3HD1 LEU 34 3HD1 LEU 34 19.834 -1.584 2.640 312 1HD2 LEU 34 1HD2 LEU 34 20.302 2.344 1.276 313 2HD2 LEU 34 2HD2 LEU 34 21.494 1.049 1.146 314 3HD2 LEU 34 3HD2 LEU 34 20.047 1.021 0.138 315 H LYS 35 H LYS 35 16.603 3.552 2.075 316 HA LYS 35 HA LYS 35 18.397 5.325 0.751 317 1HB LYS 35 1HB LYS 35 16.161 4.572 -0.132 318 2HB LYS 35 2HB LYS 35 15.407 5.636 1.048 319 1HG LYS 35 1HG LYS 35 17.237 7.260 -0.248 320 2HG LYS 35 2HG LYS 35 16.560 6.253 -1.530 321 1HD LYS 35 1HD LYS 35 14.968 7.870 0.460 322 2HD LYS 35 2HD LYS 35 15.275 8.321 -1.219 323 1HE LYS 35 1HE LYS 35 14.085 6.338 -1.982 324 2HE LYS 35 2HE LYS 35 13.812 5.845 -0.311 325 1HZ LYS 35 1HZ LYS 35 12.837 8.378 -0.400 326 2HZ LYS 35 2HZ LYS 35 12.387 7.754 -1.906 327 3HZ LYS 35 3HZ LYS 35 11.912 6.965 -0.486 328 H GLN 36 H GLN 36 16.650 5.416 3.735 329 HA GLN 36 HA GLN 36 16.731 8.244 4.101 330 1HB GLN 36 1HB GLN 36 15.086 6.935 5.294 331 2HB GLN 36 2HB GLN 36 16.345 5.978 6.062 332 1HG GLN 36 1HG GLN 36 16.915 7.643 7.528 333 2HG GLN 36 2HG GLN 36 16.328 8.924 6.470 334 2HE2 GLN 36 2HE2 GLN 36 15.589 9.270 8.916 335 1HE2 GLN 36 1HE2 GLN 36 13.951 8.805 9.206 336 H SER 37 H SER 37 18.871 5.576 4.823 337 HA SER 37 HA SER 37 20.568 6.900 6.645 338 1HB SER 37 1HB SER 37 20.920 4.526 4.829 339 2HB SER 37 2HB SER 37 22.267 5.141 5.786 340 HG SER 37 HG SER 37 19.789 4.601 7.004 341 H GLU 38 H GLU 38 20.282 7.010 3.194 342 HA GLU 38 HA GLU 38 22.872 8.230 2.791 343 1HB GLU 38 1HB GLU 38 22.035 6.821 1.030 344 2HB GLU 38 2HB GLU 38 20.539 7.741 0.938 345 1HG GLU 38 1HG GLU 38 22.980 9.310 0.517 346 2HG GLU 38 2HG GLU 38 22.661 8.078 -0.703 347 H ASP 39 H ASP 39 19.614 9.239 3.368 348 HA ASP 39 HA ASP 39 20.034 11.947 2.454 349 1HB ASP 39 1HB ASP 39 17.814 10.825 2.314 350 2HB ASP 39 2HB ASP 39 17.743 10.816 4.074 351 H ASP 40 H ASP 40 20.397 10.164 5.388 352 HA ASP 40 HA ASP 40 20.068 12.036 7.367 353 1HB ASP 40 1HB ASP 40 21.870 9.688 7.027 354 2HB ASP 40 2HB ASP 40 22.199 10.785 8.367 355 H ASP 41 H ASP 41 20.632 14.113 6.763 356 HA ASP 41 HA ASP 41 23.494 14.615 6.299 357 1HB ASP 41 1HB ASP 41 22.589 16.910 5.523 358 2HB ASP 41 2HB ASP 41 22.348 15.520 4.468 359 H1 ALA 1 H1 ALA 1 22.667 15.237 -2.819 360 H2 ALA 1 H2 ALA 1 23.667 15.394 -1.432 361 H3 ALA 1 H3 ALA 1 24.363 15.034 -2.959 362 HA ALA 1 HA ALA 1 24.315 13.092 -1.667 363 1HB ALA 1 1HB ALA 1 22.049 14.166 -0.554 364 2HB ALA 1 2HB ALA 1 21.417 12.828 -1.512 365 3HB ALA 1 3HB ALA 1 22.651 12.530 -0.288 366 H LEU 2 H LEU 2 24.144 11.132 -2.716 367 HA LEU 2 HA LEU 2 22.348 10.807 -4.956 368 1HB LEU 2 1HB LEU 2 25.202 11.465 -5.293 369 2HB LEU 2 2HB LEU 2 24.632 10.108 -6.244 370 HG LEU 2 HG LEU 2 22.689 11.994 -6.708 371 1HD1 LEU 2 1HD1 LEU 2 25.168 13.348 -5.927 372 2HD1 LEU 2 2HD1 LEU 2 24.506 13.861 -7.480 373 3HD1 LEU 2 3HD1 LEU 2 23.516 13.961 -6.023 374 1HD2 LEU 2 1HD2 LEU 2 24.105 10.438 -8.231 375 2HD2 LEU 2 2HD2 LEU 2 23.429 11.925 -8.897 376 3HD2 LEU 2 3HD2 LEU 2 25.129 11.860 -8.430 377 H LYS 3 H LYS 3 25.508 9.319 -4.356 378 HA LYS 3 HA LYS 3 26.123 7.199 -3.811 379 1HB LYS 3 1HB LYS 3 23.558 7.545 -2.350 380 2HB LYS 3 2HB LYS 3 24.171 5.906 -2.513 381 1HG LYS 3 1HG LYS 3 25.298 6.365 -0.642 382 2HG LYS 3 2HG LYS 3 26.402 7.237 -1.709 383 1HD LYS 3 1HD LYS 3 24.366 9.052 -1.209 384 2HD LYS 3 2HD LYS 3 24.615 8.247 0.342 385 1HE LYS 3 1HE LYS 3 27.179 8.683 -0.472 386 2HE LYS 3 2HE LYS 3 26.354 10.096 -1.130 387 1HZ LYS 3 1HZ LYS 3 25.468 10.541 1.089 388 2HZ LYS 3 2HZ LYS 3 26.318 9.215 1.707 389 3HZ LYS 3 3HZ LYS 3 27.160 10.543 1.084 390 H LYS 4 H LYS 4 26.081 5.160 -4.714 391 HA LYS 4 HA LYS 4 23.973 4.722 -6.725 392 1HB LYS 4 1HB LYS 4 25.855 3.130 -7.667 393 2HB LYS 4 2HB LYS 4 25.868 4.853 -8.016 394 1HG LYS 4 1HG LYS 4 27.467 5.195 -6.183 395 2HG LYS 4 2HG LYS 4 27.480 3.454 -5.891 396 1HD LYS 4 1HD LYS 4 29.036 3.197 -7.456 397 2HD LYS 4 2HD LYS 4 27.952 3.898 -8.660 398 1HE LYS 4 1HE LYS 4 28.722 6.163 -7.634 399 2HE LYS 4 2HE LYS 4 30.078 5.217 -7.021 400 1HZ LYS 4 1HZ LYS 4 29.957 4.467 -9.610 401 2HZ LYS 4 2HZ LYS 4 29.518 6.099 -9.704 402 3HZ LYS 4 3HZ LYS 4 30.989 5.658 -8.995 403 H HIS 5 H HIS 5 26.160 3.006 -4.506 404 HA HIS 5 HA HIS 5 25.116 0.455 -4.736 405 1HB HIS 5 1HB HIS 5 25.814 0.305 -2.216 406 2HB HIS 5 2HB HIS 5 27.046 0.550 -3.450 407 HD1 HIS 5 HD1 HIS 5 28.465 2.608 -3.253 408 HD2 HIS 5 HD2 HIS 5 25.141 2.721 -0.762 409 HE1 HIS 5 HE1 HIS 5 28.786 4.632 -1.795 410 HE2 HIS 5 HE2 HIS 5 26.763 4.681 -0.294 411 H HIS 6 H HIS 6 24.070 3.093 -2.615 412 HA HIS 6 HA HIS 6 22.032 1.648 -1.305 413 1HB HIS 6 1HB HIS 6 22.881 4.456 -1.502 414 2HB HIS 6 2HB HIS 6 21.154 4.249 -1.233 415 HD1 HIS 6 HD1 HIS 6 23.686 1.906 0.252 416 HD2 HIS 6 HD2 HIS 6 21.247 5.061 1.422 417 HE1 HIS 6 HE1 HIS 6 23.791 1.941 2.765 418 HE2 HIS 6 HE2 HIS 6 22.308 3.858 3.452 419 H GLU 7 H GLU 7 21.871 3.933 -4.035 420 HA GLU 7 HA GLU 7 19.142 3.741 -4.521 421 1HB GLU 7 1HB GLU 7 21.425 4.848 -5.831 422 2HB GLU 7 2HB GLU 7 20.473 3.975 -7.023 423 1HG GLU 7 1HG GLU 7 18.468 5.254 -6.101 424 2HG GLU 7 2HG GLU 7 19.653 6.289 -5.306 425 H ASN 8 H ASN 8 21.641 1.432 -5.047 426 HA ASN 8 HA ASN 8 20.349 -0.056 -7.114 427 1HB ASN 8 1HB ASN 8 22.481 -0.946 -5.158 428 2HB ASN 8 2HB ASN 8 22.022 -1.782 -6.638 429 2HD2 ASN 8 2HD2 ASN 8 24.615 -1.048 -6.171 430 1HD2 ASN 8 1HD2 ASN 8 25.070 0.207 -7.266 431 H GLU 9 H GLU 9 20.911 -0.813 -3.659 432 HA GLU 9 HA GLU 9 18.979 -2.922 -3.665 433 1HB GLU 9 1HB GLU 9 20.009 -1.483 -1.224 434 2HB GLU 9 2HB GLU 9 19.428 -3.138 -1.340 435 1HG GLU 9 1HG GLU 9 21.369 -3.710 -2.725 436 2HG GLU 9 2HG GLU 9 21.959 -2.057 -2.559 437 H ILE 10 H ILE 10 18.655 0.402 -3.684 438 HA ILE 10 HA ILE 10 16.230 0.509 -2.094 439 HB ILE 10 HB ILE 10 17.902 2.591 -3.504 440 1HG1 ILE 10 1HG1 ILE 10 17.129 2.426 -0.597 441 2HG1 ILE 10 2HG1 ILE 10 18.547 1.606 -1.243 442 1HG2 ILE 10 1HG2 ILE 10 15.483 3.154 -3.733 443 2HG2 ILE 10 2HG2 ILE 10 15.377 3.175 -1.973 444 3HG2 ILE 10 3HG2 ILE 10 16.422 4.323 -2.808 445 1HD1 ILE 10 1HD1 ILE 10 19.215 3.925 -2.128 446 2HD1 ILE 10 2HD1 ILE 10 18.021 4.535 -0.982 447 3HD1 ILE 10 3HD1 ILE 10 19.394 3.590 -0.406 448 H SER 11 H SER 11 17.319 0.457 -5.404 449 HA SER 11 HA SER 11 14.770 1.193 -6.517 450 1HB SER 11 1HB SER 11 17.451 0.544 -7.542 451 2HB SER 11 2HB SER 11 16.133 -0.022 -8.568 452 HG SER 11 HG SER 11 15.362 2.081 -8.681 453 H HIS 12 H HIS 12 16.437 -1.708 -5.583 454 HA HIS 12 HA HIS 12 14.623 -3.473 -6.947 455 1HB HIS 12 1HB HIS 12 16.524 -4.680 -6.715 456 2HB HIS 12 2HB HIS 12 17.089 -3.702 -5.373 457 HD1 HIS 12 HD1 HIS 12 15.320 -6.881 -6.167 458 HD2 HIS 12 HD2 HIS 12 16.433 -4.682 -2.826 459 HE1 HIS 12 HE1 HIS 12 15.022 -8.437 -4.213 460 HE2 HIS 12 HE2 HIS 12 15.704 -7.086 -2.197 461 H HIS 13 H HIS 13 15.205 -2.564 -3.525 462 HA HIS 13 HA HIS 13 12.984 -4.001 -2.522 463 1HB HIS 13 1HB HIS 13 14.359 -1.554 -1.392 464 2HB HIS 13 2HB HIS 13 13.181 -2.536 -0.533 465 HD1 HIS 13 HD1 HIS 13 14.404 -5.316 -1.485 466 HD2 HIS 13 HD2 HIS 13 16.450 -2.160 0.272 467 HE1 HIS 13 HE1 HIS 13 16.438 -6.347 -0.420 468 HE2 HIS 13 HE2 HIS 13 17.671 -4.417 0.630 469 H ALA 14 H ALA 14 13.344 -0.899 -4.048 470 HA ALA 14 HA ALA 14 10.910 0.272 -3.225 471 1HB ALA 14 1HB ALA 14 12.842 0.756 -5.442 472 2HB ALA 14 2HB ALA 14 12.333 1.827 -4.137 473 3HB ALA 14 3HB ALA 14 11.260 1.531 -5.506 474 H LYS 15 H LYS 15 11.791 -1.528 -6.168 475 HA LYS 15 HA LYS 15 9.280 -1.479 -7.390 476 1HB LYS 15 1HB LYS 15 11.769 -2.972 -7.695 477 2HB LYS 15 2HB LYS 15 10.355 -3.936 -8.096 478 1HG LYS 15 1HG LYS 15 9.647 -2.291 -9.717 479 2HG LYS 15 2HG LYS 15 10.988 -1.236 -9.267 480 1HD LYS 15 1HD LYS 15 12.195 -2.237 -10.847 481 2HD LYS 15 2HD LYS 15 12.164 -3.696 -9.856 482 1HE LYS 15 1HE LYS 15 9.921 -3.031 -11.733 483 2HE LYS 15 2HE LYS 15 11.371 -3.861 -12.296 484 1HZ LYS 15 1HZ LYS 15 10.414 -5.096 -9.946 485 2HZ LYS 15 2HZ LYS 15 9.152 -4.981 -11.068 486 3HZ LYS 15 3HZ LYS 15 10.595 -5.757 -11.493 487 H GLU 16 H GLU 16 10.586 -3.476 -4.841 488 HA GLU 16 HA GLU 16 8.615 -5.496 -4.857 489 1HB GLU 16 1HB GLU 16 10.782 -4.622 -3.089 490 2HB GLU 16 2HB GLU 16 9.418 -5.326 -2.230 491 1HG GLU 16 1HG GLU 16 9.967 -7.381 -2.856 492 2HG GLU 16 2HG GLU 16 10.148 -6.899 -4.542 493 H ILE 17 H ILE 17 8.920 -2.554 -2.853 494 HA ILE 17 HA ILE 17 6.497 -2.903 -1.464 495 HB ILE 17 HB ILE 17 6.810 -0.792 -0.557 496 1HG1 ILE 17 1HG1 ILE 17 8.565 0.754 -2.000 497 2HG1 ILE 17 2HG1 ILE 17 7.653 -0.039 -3.280 498 1HG2 ILE 17 1HG2 ILE 17 9.022 -2.406 -0.845 499 2HG2 ILE 17 2HG2 ILE 17 9.623 -0.802 -1.261 500 3HG2 ILE 17 3HG2 ILE 17 8.840 -1.073 0.291 501 1HD1 ILE 17 1HD1 ILE 17 5.951 0.996 -1.170 502 2HD1 ILE 17 2HD1 ILE 17 6.927 2.243 -1.944 503 3HD1 ILE 17 3HD1 ILE 17 5.863 1.226 -2.916 504 H GLU 18 H GLU 18 7.145 -1.836 -4.673 505 HA GLU 18 HA GLU 18 4.693 -0.398 -5.040 506 1HB GLU 18 1HB GLU 18 6.606 0.137 -6.431 507 2HB GLU 18 2HB GLU 18 6.680 -1.516 -7.025 508 1HG GLU 18 1HG GLU 18 5.690 0.083 -8.629 509 2HG GLU 18 2HG GLU 18 4.623 -1.256 -8.210 510 H ARG 19 H ARG 19 5.826 -3.677 -5.619 511 HA ARG 19 HA ARG 19 3.581 -4.573 -7.087 512 1HB ARG 19 1HB ARG 19 5.692 -5.807 -7.072 513 2HB ARG 19 2HB ARG 19 5.516 -6.122 -5.352 514 1HG ARG 19 1HG ARG 19 3.294 -7.262 -6.036 515 2HG ARG 19 2HG ARG 19 4.008 -7.290 -7.650 516 1HD ARG 19 1HD ARG 19 5.128 -9.120 -7.083 517 2HD ARG 19 2HD ARG 19 6.002 -8.178 -5.875 518 HE ARG 19 HE ARG 19 3.724 -8.795 -4.588 519 1HH1 ARG 19 1HH1 ARG 19 6.000 -10.720 -6.388 520 2HH1 ARG 19 2HH1 ARG 19 5.717 -12.156 -5.461 521 1HH2 ARG 19 1HH2 ARG 19 3.345 -10.679 -3.359 522 2HH2 ARG 19 2HH2 ARG 19 4.207 -12.133 -3.739 523 H LEU 20 H LEU 20 4.435 -4.876 -3.636 524 HA LEU 20 HA LEU 20 2.065 -6.150 -2.840 525 1HB LEU 20 1HB LEU 20 3.482 -4.216 -1.046 526 2HB LEU 20 2HB LEU 20 2.728 -5.747 -0.644 527 HG LEU 20 HG LEU 20 5.390 -5.294 -1.969 528 1HD1 LEU 20 1HD1 LEU 20 4.463 -5.961 0.695 529 2HD1 LEU 20 2HD1 LEU 20 5.606 -7.150 0.068 530 3HD1 LEU 20 3HD1 LEU 20 6.059 -5.448 0.147 531 1HD2 LEU 20 1HD2 LEU 20 4.059 -7.104 -3.098 532 2HD2 LEU 20 2HD2 LEU 20 5.584 -7.624 -2.381 533 3HD2 LEU 20 3HD2 LEU 20 4.061 -7.963 -1.558 534 H GLN 21 H GLN 21 2.953 -2.741 -3.065 535 HA GLN 21 HA GLN 21 0.611 -1.646 -1.978 536 1HB GLN 21 1HB GLN 21 2.579 -0.278 -2.286 537 2HB GLN 21 2HB GLN 21 2.540 -0.538 -4.024 538 1HG GLN 21 1HG GLN 21 1.316 1.282 -4.253 539 2HG GLN 21 2HG GLN 21 0.037 0.532 -3.299 540 2HE2 GLN 21 2HE2 GLN 21 0.434 0.635 -0.881 541 1HE2 GLN 21 1HE2 GLN 21 1.004 2.143 -0.261 542 H LYS 22 H LYS 22 1.347 -2.956 -5.111 543 HA LYS 22 HA LYS 22 -0.774 -1.824 -6.579 544 1HB LYS 22 1HB LYS 22 1.213 -3.055 -7.525 545 2HB LYS 22 2HB LYS 22 0.452 -4.553 -7.007 546 1HG LYS 22 1HG LYS 22 -1.492 -3.157 -8.470 547 2HG LYS 22 2HG LYS 22 0.013 -3.022 -9.382 548 1HD LYS 22 1HD LYS 22 -1.141 -5.001 -10.101 549 2HD LYS 22 2HD LYS 22 0.286 -5.486 -9.183 550 1HE LYS 22 1HE LYS 22 -1.106 -5.851 -7.208 551 2HE LYS 22 2HE LYS 22 -2.532 -5.349 -8.114 552 1HZ LYS 22 1HZ LYS 22 -1.504 -7.294 -9.671 553 2HZ LYS 22 2HZ LYS 22 -1.145 -7.873 -8.122 554 3HZ LYS 22 3HZ LYS 22 -2.744 -7.516 -8.542 555 H GLU 23 H GLU 23 -0.486 -4.889 -4.811 556 HA GLU 23 HA GLU 23 -3.061 -5.863 -5.342 557 1HB GLU 23 1HB GLU 23 -0.851 -6.689 -3.846 558 2HB GLU 23 2HB GLU 23 -2.155 -6.550 -2.674 559 1HG GLU 23 1HG GLU 23 -3.527 -8.058 -3.951 560 2HG GLU 23 2HG GLU 23 -2.322 -8.118 -5.237 561 H ILE 24 H ILE 24 -1.868 -3.950 -2.586 562 HA ILE 24 HA ILE 24 -4.340 -3.783 -1.258 563 HB ILE 24 HB ILE 24 -3.363 -2.408 0.265 564 1HG1 ILE 24 1HG1 ILE 24 -1.409 -0.774 -0.558 565 2HG1 ILE 24 2HG1 ILE 24 -2.291 -0.916 -2.078 566 1HG2 ILE 24 1HG2 ILE 24 -1.786 -4.301 -0.266 567 2HG2 ILE 24 2HG2 ILE 24 -0.801 -3.113 -1.117 568 3HG2 ILE 24 3HG2 ILE 24 -1.102 -2.930 0.607 569 1HD1 ILE 24 1HD1 ILE 24 -4.197 -0.465 -0.047 570 2HD1 ILE 24 2HD1 ILE 24 -2.882 0.689 0.191 571 3HD1 ILE 24 3HD1 ILE 24 -3.715 0.612 -1.361 572 H GLU 25 H GLU 25 -3.060 -2.119 -3.999 573 HA GLU 25 HA GLU 25 -4.810 0.116 -3.974 574 1HB GLU 25 1HB GLU 25 -2.772 -0.984 -5.721 575 2HB GLU 25 2HB GLU 25 -4.153 -0.408 -6.643 576 1HG GLU 25 1HG GLU 25 -3.917 1.782 -5.835 577 2HG GLU 25 2HG GLU 25 -2.825 1.275 -4.547 578 H ARG 26 H ARG 26 -4.978 -3.143 -5.263 579 HA ARG 26 HA ARG 26 -7.269 -2.828 -6.869 580 1HB ARG 26 1HB ARG 26 -5.790 -4.805 -6.975 581 2HB ARG 26 2HB ARG 26 -6.330 -5.287 -5.373 582 1HG ARG 26 1HG ARG 26 -8.704 -5.158 -6.539 583 2HG ARG 26 2HG ARG 26 -7.729 -5.451 -7.979 584 1HD ARG 26 1HD ARG 26 -6.667 -7.322 -6.447 585 2HD ARG 26 2HD ARG 26 -8.221 -7.199 -5.622 586 HE ARG 26 HE ARG 26 -8.489 -7.463 -8.461 587 1HH1 ARG 26 1HH1 ARG 26 -8.010 -9.208 -5.486 588 2HH1 ARG 26 2HH1 ARG 26 -8.679 -10.685 -6.093 589 1HH2 ARG 26 1HH2 ARG 26 -9.372 -9.404 -9.272 590 2HH2 ARG 26 2HH2 ARG 26 -9.453 -10.797 -8.245 591 H HIS 27 H HIS 27 -6.868 -3.858 -3.484 592 HA HIS 27 HA HIS 27 -9.644 -4.135 -2.969 593 1HB HIS 27 1HB HIS 27 -7.237 -4.557 -1.563 594 2HB HIS 27 2HB HIS 27 -8.157 -3.402 -0.608 595 HD1 HIS 27 HD1 HIS 27 -10.449 -4.218 0.351 596 HD2 HIS 27 HD2 HIS 27 -8.239 -7.140 -1.611 597 HE1 HIS 27 HE1 HIS 27 -11.520 -6.405 0.981 598 HE2 HIS 27 HE2 HIS 27 -10.165 -8.162 -0.217 599 H LYS 28 H LYS 28 -7.444 -1.462 -3.030 600 HA LYS 28 HA LYS 28 -9.128 0.358 -1.593 601 1HB LYS 28 1HB LYS 28 -6.715 0.674 -1.593 602 2HB LYS 28 2HB LYS 28 -6.712 0.834 -3.344 603 1HG LYS 28 1HG LYS 28 -8.537 2.735 -2.304 604 2HG LYS 28 2HG LYS 28 -7.040 2.848 -1.377 605 1HD LYS 28 1HD LYS 28 -7.341 3.031 -4.372 606 2HD LYS 28 2HD LYS 28 -6.906 4.335 -3.266 607 1HE LYS 28 1HE LYS 28 -4.983 2.595 -2.637 608 2HE LYS 28 2HE LYS 28 -5.275 2.086 -4.299 609 1HZ LYS 28 1HZ LYS 28 -4.751 4.901 -3.534 610 2HZ LYS 28 2HZ LYS 28 -3.532 3.830 -4.008 611 3HZ LYS 28 3HZ LYS 28 -4.765 4.242 -5.091 612 H GLN 29 H GLN 29 -8.954 -0.803 -4.814 613 HA GLN 29 HA GLN 29 -10.163 1.488 -6.050 614 1HB GLN 29 1HB GLN 29 -8.712 0.019 -7.351 615 2HB GLN 29 2HB GLN 29 -9.782 -1.342 -7.045 616 1HG GLN 29 1HG GLN 29 -11.394 -0.580 -8.496 617 2HG GLN 29 2HG GLN 29 -10.854 1.096 -8.383 618 2HE2 GLN 29 2HE2 GLN 29 -9.212 -1.953 -9.161 619 1HE2 GLN 29 1HE2 GLN 29 -8.574 -1.421 -10.676 620 H SER 30 H SER 30 -11.236 -1.684 -4.916 621 HA SER 30 HA SER 30 -13.929 -1.368 -5.800 622 1HB SER 30 1HB SER 30 -14.170 -3.209 -3.841 623 2HB SER 30 2HB SER 30 -13.567 -3.594 -5.452 624 HG SER 30 HG SER 30 -12.189 -4.381 -3.803 625 H ILE 31 H ILE 31 -12.255 -0.781 -2.743 626 HA ILE 31 HA ILE 31 -14.623 -0.078 -1.306 627 HB ILE 31 HB ILE 31 -12.552 -0.921 -0.239 628 1HG1 ILE 31 1HG1 ILE 31 -14.393 0.895 0.715 629 2HG1 ILE 31 2HG1 ILE 31 -13.249 -0.006 1.694 630 1HG2 ILE 31 1HG2 ILE 31 -11.056 0.485 -1.703 631 2HG2 ILE 31 2HG2 ILE 31 -11.409 1.828 -0.618 632 3HG2 ILE 31 3HG2 ILE 31 -10.610 0.382 0.001 633 1HD1 ILE 31 1HD1 ILE 31 -11.671 1.962 1.380 634 2HD1 ILE 31 2HD1 ILE 31 -13.073 2.837 0.763 635 3HD1 ILE 31 3HD1 ILE 31 -13.080 2.209 2.410 636 H LYS 32 H LYS 32 -12.229 1.702 -3.169 637 HA LYS 32 HA LYS 32 -13.183 4.274 -2.301 638 1HB LYS 32 1HB LYS 32 -11.603 5.217 -3.803 639 2HB LYS 32 2HB LYS 32 -10.829 3.808 -3.093 640 1HG LYS 32 1HG LYS 32 -11.511 2.532 -5.149 641 2HG LYS 32 2HG LYS 32 -11.991 4.078 -5.851 642 1HD LYS 32 1HD LYS 32 -9.618 4.859 -5.270 643 2HD LYS 32 2HD LYS 32 -9.249 3.146 -5.058 644 1HE LYS 32 1HE LYS 32 -10.536 3.140 -7.458 645 2HE LYS 32 2HE LYS 32 -9.702 4.694 -7.508 646 1HZ LYS 32 1HZ LYS 32 -8.053 2.538 -6.561 647 2HZ LYS 32 2HZ LYS 32 -8.602 2.308 -8.146 648 3HZ LYS 32 3HZ LYS 32 -7.734 3.704 -7.745 649 H LYS 33 H LYS 33 -13.985 1.991 -4.764 650 HA LYS 33 HA LYS 33 -15.319 3.816 -6.512 651 1HB LYS 33 1HB LYS 33 -14.899 0.911 -6.339 652 2HB LYS 33 2HB LYS 33 -16.447 1.372 -7.034 653 1HG LYS 33 1HG LYS 33 -15.186 2.857 -8.614 654 2HG LYS 33 2HG LYS 33 -13.702 2.118 -8.007 655 1HD LYS 33 1HD LYS 33 -14.531 1.074 -10.096 656 2HD LYS 33 2HD LYS 33 -14.429 -0.059 -8.747 657 1HE LYS 33 1HE LYS 33 -16.685 -0.299 -8.597 658 2HE LYS 33 2HE LYS 33 -17.004 1.349 -9.136 659 1HZ LYS 33 1HZ LYS 33 -16.124 -0.882 -10.888 660 2HZ LYS 33 2HZ LYS 33 -17.710 -0.304 -10.765 661 3HZ LYS 33 3HZ LYS 33 -16.493 0.691 -11.390 662 H LEU 34 H LEU 34 -16.302 1.673 -3.877 663 HA LEU 34 HA LEU 34 -19.091 2.127 -4.163 664 1HB LEU 34 1HB LEU 34 -17.672 0.329 -2.795 665 2HB LEU 34 2HB LEU 34 -17.945 1.476 -1.498 666 HG LEU 34 HG LEU 34 -20.287 0.562 -3.105 667 1HD1 LEU 34 1HD1 LEU 34 -18.577 -1.164 -1.488 668 2HD1 LEU 34 2HD1 LEU 34 -20.269 -1.169 -0.989 669 3HD1 LEU 34 3HD1 LEU 34 -19.838 -1.579 -2.649 670 1HD2 LEU 34 1HD2 LEU 34 -20.311 2.349 -1.286 671 2HD2 LEU 34 2HD2 LEU 34 -21.501 1.053 -1.159 672 3HD2 LEU 34 3HD2 LEU 34 -20.056 1.025 -0.147 673 H LYS 35 H LYS 35 -16.605 3.556 -2.071 674 HA LYS 35 HA LYS 35 -18.402 5.330 -0.752 675 1HB LYS 35 1HB LYS 35 -16.169 4.579 0.138 676 2HB LYS 35 2HB LYS 35 -15.410 5.636 -1.045 677 1HG LYS 35 1HG LYS 35 -17.240 7.269 0.244 678 2HG LYS 35 2HG LYS 35 -16.563 6.266 1.528 679 1HD LYS 35 1HD LYS 35 -14.973 7.876 -0.468 680 2HD LYS 35 2HD LYS 35 -15.278 8.331 1.210 681 1HE LYS 35 1HE LYS 35 -14.088 6.346 1.977 682 2HE LYS 35 2HE LYS 35 -13.814 5.853 0.305 683 1HZ LYS 35 1HZ LYS 35 -12.839 8.387 0.393 684 2HZ LYS 35 2HZ LYS 35 -12.390 7.762 1.900 685 3HZ LYS 35 3HZ LYS 35 -11.915 6.973 0.481 686 H GLN 36 H GLN 36 -16.652 5.420 -3.734 687 HA GLN 36 HA GLN 36 -16.732 8.250 -4.099 688 1HB GLN 36 1HB GLN 36 -15.087 6.942 -5.295 689 2HB GLN 36 2HB GLN 36 -16.345 5.981 -6.060 690 1HG GLN 36 1HG GLN 36 -16.918 7.644 -7.527 691 2HG GLN 36 2HG GLN 36 -16.332 8.928 -6.471 692 2HE2 GLN 36 2HE2 GLN 36 -15.594 9.275 -8.916 693 1HE2 GLN 36 1HE2 GLN 36 -13.957 8.808 -9.207 694 H SER 37 H SER 37 -18.871 5.579 -4.831 695 HA SER 37 HA SER 37 -20.567 6.905 -6.651 696 1HB SER 37 1HB SER 37 -20.925 4.533 -4.832 697 2HB SER 37 2HB SER 37 -22.268 5.150 -5.795 698 HG SER 37 HG SER 37 -19.792 4.617 -7.013 699 H GLU 38 H GLU 38 -20.283 7.015 -3.199 700 HA GLU 38 HA GLU 38 -22.874 8.238 -2.798 701 1HB GLU 38 1HB GLU 38 -22.036 6.829 -1.036 702 2HB GLU 38 2HB GLU 38 -20.540 7.749 -0.943 703 1HG GLU 38 1HG GLU 38 -22.986 9.314 -0.523 704 2HG GLU 38 2HG GLU 38 -22.661 8.085 0.699 705 H ASP 39 H ASP 39 -19.615 9.245 -3.375 706 HA ASP 39 HA ASP 39 -20.036 11.954 -2.459 707 1HB ASP 39 1HB ASP 39 -17.816 10.835 -2.314 708 2HB ASP 39 2HB ASP 39 -17.742 10.821 -4.074 709 H ASP 40 H ASP 40 -20.395 10.169 -5.393 710 HA ASP 40 HA ASP 40 -20.064 12.042 -7.372 711 1HB ASP 40 1HB ASP 40 -21.867 9.695 -7.035 712 2HB ASP 40 2HB ASP 40 -22.195 10.791 -8.374 713 H ASP 41 H ASP 41 -20.629 14.119 -6.772 714 HA ASP 41 HA ASP 41 -23.492 14.618 -6.307 715 1HB ASP 41 1HB ASP 41 -22.589 16.915 -5.533 716 2HB ASP 41 2HB ASP 41 -22.349 15.526 -4.478 No H/Q in entry = 716 Start of MODEL 29 1 H1 ALA 1 H1 ALA 1 -28.757 10.863 2.658 2 H2 ALA 1 H2 ALA 1 -30.310 10.866 1.929 3 H3 ALA 1 H3 ALA 1 -30.159 10.618 3.618 4 HA ALA 1 HA ALA 1 -30.608 8.582 2.514 5 1HB ALA 1 1HB ALA 1 -28.257 7.995 1.155 6 2HB ALA 1 2HB ALA 1 -28.667 9.636 0.653 7 3HB ALA 1 3HB ALA 1 -29.836 8.333 0.445 8 H LEU 2 H LEU 2 -29.260 6.531 2.873 9 HA LEU 2 HA LEU 2 -26.895 6.457 4.298 10 1HB LEU 2 1HB LEU 2 -28.937 7.576 5.863 11 2HB LEU 2 2HB LEU 2 -28.745 5.937 6.452 12 HG LEU 2 HG LEU 2 -26.301 7.607 6.089 13 1HD1 LEU 2 1HD1 LEU 2 -28.247 8.830 7.369 14 2HD1 LEU 2 2HD1 LEU 2 -27.752 7.760 8.680 15 3HD1 LEU 2 3HD1 LEU 2 -26.589 8.877 7.966 16 1HD2 LEU 2 1HD2 LEU 2 -27.183 5.269 7.705 17 2HD2 LEU 2 2HD2 LEU 2 -25.700 5.511 6.782 18 3HD2 LEU 2 3HD2 LEU 2 -25.907 6.307 8.342 19 H LYS 3 H LYS 3 -26.636 4.566 3.158 20 HA LYS 3 HA LYS 3 -28.557 2.408 3.502 21 1HB LYS 3 1HB LYS 3 -25.967 2.423 1.944 22 2HB LYS 3 2HB LYS 3 -27.242 1.215 1.848 23 1HG LYS 3 1HG LYS 3 -27.564 2.532 -0.040 24 2HG LYS 3 2HG LYS 3 -28.755 3.143 1.110 25 1HD LYS 3 1HD LYS 3 -27.766 5.157 1.246 26 2HD LYS 3 2HD LYS 3 -26.143 4.464 1.259 27 1HE LYS 3 1HE LYS 3 -26.696 5.902 -0.732 28 2HE LYS 3 2HE LYS 3 -26.102 4.284 -1.102 29 1HZ LYS 3 1HZ LYS 3 -28.999 4.734 -0.910 30 2HZ LYS 3 2HZ LYS 3 -28.184 5.222 -2.312 31 3HZ LYS 3 3HZ LYS 3 -28.148 3.600 -1.833 32 H LYS 4 H LYS 4 -27.861 0.259 4.157 33 HA LYS 4 HA LYS 4 -25.831 0.409 6.276 34 1HB LYS 4 1HB LYS 4 -28.453 -0.799 6.094 35 2HB LYS 4 2HB LYS 4 -27.245 -1.996 6.540 36 1HG LYS 4 1HG LYS 4 -27.234 0.605 7.972 37 2HG LYS 4 2HG LYS 4 -28.508 -0.556 8.348 38 1HD LYS 4 1HD LYS 4 -26.493 -2.234 8.499 39 2HD LYS 4 2HD LYS 4 -25.563 -0.760 8.771 40 1HE LYS 4 1HE LYS 4 -27.027 -0.179 10.639 41 2HE LYS 4 2HE LYS 4 -27.969 -1.644 10.362 42 1HZ LYS 4 1HZ LYS 4 -25.694 -2.803 10.662 43 2HZ LYS 4 2HZ LYS 4 -25.245 -1.369 11.440 44 3HZ LYS 4 3HZ LYS 4 -26.542 -2.280 12.030 45 H HIS 5 H HIS 5 -27.061 -1.860 3.815 46 HA HIS 5 HA HIS 5 -25.107 -3.796 3.983 47 1HB HIS 5 1HB HIS 5 -25.560 -4.027 1.420 48 2HB HIS 5 2HB HIS 5 -26.859 -4.351 2.562 49 HD1 HIS 5 HD1 HIS 5 -28.991 -3.233 2.016 50 HD2 HIS 5 HD2 HIS 5 -25.734 -1.188 0.445 51 HE1 HIS 5 HE1 HIS 5 -29.967 -1.324 0.699 52 HE2 HIS 5 HE2 HIS 5 -27.977 -0.098 -0.242 53 H HIS 6 H HIS 6 -25.025 -0.721 2.256 54 HA HIS 6 HA HIS 6 -22.610 -1.129 0.878 55 1HB HIS 6 1HB HIS 6 -24.339 1.162 1.533 56 2HB HIS 6 2HB HIS 6 -22.642 1.575 1.316 57 HD1 HIS 6 HD1 HIS 6 -23.895 -1.230 -0.738 58 HD2 HIS 6 HD2 HIS 6 -23.426 2.883 -1.101 59 HE1 HIS 6 HE1 HIS 6 -24.142 -0.739 -3.192 60 HE2 HIS 6 HE2 HIS 6 -23.853 1.756 -3.390 61 H GLU 7 H GLU 7 -23.212 0.589 3.946 62 HA GLU 7 HA GLU 7 -20.591 1.196 4.583 63 1HB GLU 7 1HB GLU 7 -22.928 1.674 5.784 64 2HB GLU 7 2HB GLU 7 -22.387 0.341 6.795 65 1HG GLU 7 1HG GLU 7 -21.670 2.285 7.882 66 2HG GLU 7 2HG GLU 7 -20.232 1.628 7.103 67 H ASN 8 H ASN 8 -22.194 -1.863 4.593 68 HA ASN 8 HA ASN 8 -20.469 -3.202 6.420 69 1HB ASN 8 1HB ASN 8 -22.730 -3.878 4.746 70 2HB ASN 8 2HB ASN 8 -21.477 -5.110 4.620 71 2HD2 ASN 8 2HD2 ASN 8 -23.383 -6.274 5.630 72 1HD2 ASN 8 1HD2 ASN 8 -23.415 -6.333 7.357 73 H GLU 9 H GLU 9 -20.719 -3.427 2.856 74 HA GLU 9 HA GLU 9 -18.195 -4.748 2.620 75 1HB GLU 9 1HB GLU 9 -19.649 -3.278 0.423 76 2HB GLU 9 2HB GLU 9 -18.522 -4.617 0.260 77 1HG GLU 9 1HG GLU 9 -20.367 -5.857 0.067 78 2HG GLU 9 2HG GLU 9 -20.427 -5.736 1.825 79 H ILE 10 H ILE 10 -18.990 -1.573 3.279 80 HA ILE 10 HA ILE 10 -16.744 -0.371 1.899 81 HB ILE 10 HB ILE 10 -18.987 0.728 3.592 82 1HG1 ILE 10 1HG1 ILE 10 -18.259 1.430 0.757 83 2HG1 ILE 10 2HG1 ILE 10 -19.285 0.051 1.141 84 1HG2 ILE 10 1HG2 ILE 10 -16.890 1.985 4.053 85 2HG2 ILE 10 2HG2 ILE 10 -16.812 2.385 2.336 86 3HG2 ILE 10 3HG2 ILE 10 -18.168 2.949 3.313 87 1HD1 ILE 10 1HD1 ILE 10 -20.700 1.766 2.446 88 2HD1 ILE 10 2HD1 ILE 10 -19.833 2.964 1.486 89 3HD1 ILE 10 3HD1 ILE 10 -20.803 1.727 0.686 90 H SER 11 H SER 11 -17.708 -1.479 5.054 91 HA SER 11 HA SER 11 -15.512 -0.194 6.419 92 1HB SER 11 1HB SER 11 -16.278 -1.701 8.337 93 2HB SER 11 2HB SER 11 -17.457 -0.524 7.757 94 HG SER 11 HG SER 11 -18.678 -2.237 7.606 95 H HIS 12 H HIS 12 -16.206 -3.230 4.881 96 HA HIS 12 HA HIS 12 -13.920 -4.574 5.990 97 1HB HIS 12 1HB HIS 12 -15.352 -6.245 5.469 98 2HB HIS 12 2HB HIS 12 -16.220 -5.261 4.306 99 HD1 HIS 12 HD1 HIS 12 -13.508 -7.807 4.580 100 HD2 HIS 12 HD2 HIS 12 -15.377 -5.534 1.649 101 HE1 HIS 12 HE1 HIS 12 -12.793 -8.819 2.390 102 HE2 HIS 12 HE2 HIS 12 -13.937 -7.428 0.626 103 H HIS 13 H HIS 13 -14.778 -3.178 2.801 104 HA HIS 13 HA HIS 13 -12.242 -3.722 1.644 105 1HB HIS 13 1HB HIS 13 -14.296 -1.628 0.923 106 2HB HIS 13 2HB HIS 13 -12.886 -2.020 -0.049 107 HD1 HIS 13 HD1 HIS 13 -13.258 -5.192 0.384 108 HD2 HIS 13 HD2 HIS 13 -16.068 -2.462 -0.976 109 HE1 HIS 13 HE1 HIS 13 -14.909 -6.545 -0.950 110 HE2 HIS 13 HE2 HIS 13 -16.610 -4.873 -1.765 111 H ALA 14 H ALA 14 -13.468 -1.218 3.718 112 HA ALA 14 HA ALA 14 -11.476 0.734 3.195 113 1HB ALA 14 1HB ALA 14 -13.376 0.272 5.475 114 2HB ALA 14 2HB ALA 14 -12.177 1.566 5.521 115 3HB ALA 14 3HB ALA 14 -13.402 1.542 4.252 116 H LYS 15 H LYS 15 -11.821 -1.727 5.748 117 HA LYS 15 HA LYS 15 -9.334 -1.156 6.981 118 1HB LYS 15 1HB LYS 15 -11.436 -3.183 7.218 119 2HB LYS 15 2HB LYS 15 -9.827 -3.813 7.543 120 1HG LYS 15 1HG LYS 15 -10.677 -1.274 8.848 121 2HG LYS 15 2HG LYS 15 -11.285 -2.812 9.463 122 1HD LYS 15 1HD LYS 15 -8.642 -3.366 9.198 123 2HD LYS 15 2HD LYS 15 -8.588 -1.649 9.603 124 1HE LYS 15 1HE LYS 15 -8.476 -2.862 11.647 125 2HE LYS 15 2HE LYS 15 -10.087 -2.152 11.545 126 1HZ LYS 15 1HZ LYS 15 -10.076 -4.725 10.370 127 2HZ LYS 15 2HZ LYS 15 -9.450 -4.814 11.938 128 3HZ LYS 15 3HZ LYS 15 -10.987 -4.157 11.676 129 H GLU 16 H GLU 16 -10.225 -2.898 4.147 130 HA GLU 16 HA GLU 16 -7.888 -4.541 4.003 131 1HB GLU 16 1HB GLU 16 -9.886 -3.773 1.868 132 2HB GLU 16 2HB GLU 16 -8.652 -5.015 1.703 133 1HG GLU 16 1HG GLU 16 -10.264 -5.436 4.061 134 2HG GLU 16 2HG GLU 16 -11.252 -5.348 2.603 135 H ILE 17 H ILE 17 -8.865 -1.411 2.640 136 HA ILE 17 HA ILE 17 -6.542 -1.178 0.988 137 HB ILE 17 HB ILE 17 -7.333 0.899 0.327 138 1HG1 ILE 17 1HG1 ILE 17 -9.196 2.034 1.866 139 2HG1 ILE 17 2HG1 ILE 17 -8.352 1.140 3.127 140 1HG2 ILE 17 1HG2 ILE 17 -9.151 -1.169 0.550 141 2HG2 ILE 17 2HG2 ILE 17 -10.038 0.248 1.112 142 3HG2 ILE 17 3HG2 ILE 17 -9.291 0.252 -0.484 143 1HD1 ILE 17 1HD1 ILE 17 -6.323 2.357 1.701 144 2HD1 ILE 17 2HD1 ILE 17 -7.602 3.571 1.761 145 3HD1 ILE 17 3HD1 ILE 17 -6.978 2.872 3.256 146 H GLU 18 H GLU 18 -7.385 -0.135 4.239 147 HA GLU 18 HA GLU 18 -5.017 1.440 4.599 148 1HB GLU 18 1HB GLU 18 -7.312 1.553 5.857 149 2HB GLU 18 2HB GLU 18 -6.602 0.310 6.878 150 1HG GLU 18 1HG GLU 18 -4.657 1.877 7.222 151 2HG GLU 18 2HG GLU 18 -5.636 3.119 6.442 152 H ARG 19 H ARG 19 -5.901 -1.886 4.991 153 HA ARG 19 HA ARG 19 -3.765 -2.618 6.734 154 1HB ARG 19 1HB ARG 19 -5.783 -3.977 6.592 155 2HB ARG 19 2HB ARG 19 -5.477 -4.293 4.889 156 1HG ARG 19 1HG ARG 19 -3.217 -5.262 5.793 157 2HG ARG 19 2HG ARG 19 -4.127 -5.401 7.298 158 1HD ARG 19 1HD ARG 19 -5.914 -6.439 5.580 159 2HD ARG 19 2HD ARG 19 -4.419 -6.873 4.753 160 HE ARG 19 HE ARG 19 -5.420 -7.963 7.223 161 1HH1 ARG 19 1HH1 ARG 19 -2.602 -7.425 5.250 162 2HH1 ARG 19 2HH1 ARG 19 -1.699 -8.724 5.957 163 1HH2 ARG 19 1HH2 ARG 19 -4.241 -9.675 8.162 164 2HH2 ARG 19 2HH2 ARG 19 -2.632 -10.003 7.612 165 H LEU 20 H LEU 20 -4.278 -2.827 3.218 166 HA LEU 20 HA LEU 20 -1.793 -4.063 2.661 167 1HB LEU 20 1HB LEU 20 -3.325 -2.273 0.784 168 2HB LEU 20 2HB LEU 20 -2.226 -3.576 0.368 169 HG LEU 20 HG LEU 20 -4.560 -4.385 1.974 170 1HD1 LEU 20 1HD1 LEU 20 -5.290 -2.571 0.237 171 2HD1 LEU 20 2HD1 LEU 20 -5.072 -3.885 -0.919 172 3HD1 LEU 20 3HD1 LEU 20 -6.213 -4.063 0.414 173 1HD2 LEU 20 1HD2 LEU 20 -2.863 -5.421 -0.228 174 2HD2 LEU 20 2HD2 LEU 20 -3.401 -6.207 1.256 175 3HD2 LEU 20 3HD2 LEU 20 -4.513 -6.034 -0.103 176 H GLN 21 H GLN 21 -2.836 -0.716 2.911 177 HA GLN 21 HA GLN 21 -0.512 0.498 1.891 178 1HB GLN 21 1HB GLN 21 -2.700 1.646 2.285 179 2HB GLN 21 2HB GLN 21 -2.365 1.599 4.010 180 1HG GLN 21 1HG GLN 21 -0.207 2.848 3.428 181 2HG GLN 21 2HG GLN 21 -0.972 3.162 1.871 182 2HE2 GLN 21 2HE2 GLN 21 -3.622 3.416 2.815 183 1HE2 GLN 21 1HE2 GLN 21 -3.728 4.889 3.711 184 H LYS 22 H LYS 22 -1.397 -0.616 5.114 185 HA LYS 22 HA LYS 22 0.743 0.493 6.542 186 1HB LYS 22 1HB LYS 22 -1.147 -0.453 7.708 187 2HB LYS 22 2HB LYS 22 -0.838 -2.039 7.014 188 1HG LYS 22 1HG LYS 22 1.424 -1.903 8.218 189 2HG LYS 22 2HG LYS 22 0.692 -0.588 9.139 190 1HD LYS 22 1HD LYS 22 0.136 -2.338 10.492 191 2HD LYS 22 2HD LYS 22 -1.257 -2.365 9.410 192 1HE LYS 22 1HE LYS 22 -0.749 -4.424 8.755 193 2HE LYS 22 2HE LYS 22 0.856 -3.894 8.250 194 1HZ LYS 22 1HZ LYS 22 0.837 -4.088 11.040 195 2HZ LYS 22 2HZ LYS 22 0.170 -5.516 10.425 196 3HZ LYS 22 3HZ LYS 22 1.711 -5.022 9.933 197 H GLU 23 H GLU 23 0.404 -2.690 4.995 198 HA GLU 23 HA GLU 23 2.879 -3.751 5.672 199 1HB GLU 23 1HB GLU 23 0.760 -4.599 4.178 200 2HB GLU 23 2HB GLU 23 1.977 -4.352 2.933 201 1HG GLU 23 1HG GLU 23 3.340 -5.706 4.911 202 2HG GLU 23 2HG GLU 23 1.742 -6.449 4.918 203 H ILE 24 H ILE 24 1.993 -1.718 2.902 204 HA ILE 24 HA ILE 24 4.529 -1.755 1.678 205 HB ILE 24 HB ILE 24 3.749 -0.253 0.156 206 1HG1 ILE 24 1HG1 ILE 24 1.838 1.469 1.004 207 2HG1 ILE 24 2HG1 ILE 24 2.750 1.262 2.497 208 1HG2 ILE 24 1HG2 ILE 24 1.947 -2.043 0.776 209 2HG2 ILE 24 2HG2 ILE 24 1.012 -0.626 1.251 210 3HG2 ILE 24 3HG2 ILE 24 1.603 -0.778 -0.402 211 1HD1 ILE 24 1HD1 ILE 24 4.616 1.638 0.409 212 2HD1 ILE 24 2HD1 ILE 24 3.362 2.871 0.243 213 3HD1 ILE 24 3HD1 ILE 24 4.245 2.711 1.762 214 H GLU 25 H GLU 25 3.194 0.105 4.300 215 HA GLU 25 HA GLU 25 5.087 2.157 4.462 216 1HB GLU 25 1HB GLU 25 2.859 1.719 5.795 217 2HB GLU 25 2HB GLU 25 3.939 0.939 6.944 218 1HG GLU 25 1HG GLU 25 5.206 3.318 6.454 219 2HG GLU 25 2HG GLU 25 3.501 3.765 6.402 220 H ARG 26 H ARG 26 5.045 -1.088 5.888 221 HA ARG 26 HA ARG 26 7.434 -0.862 7.347 222 1HB ARG 26 1HB ARG 26 5.882 -2.698 7.729 223 2HB ARG 26 2HB ARG 26 6.143 -3.294 6.095 224 1HG ARG 26 1HG ARG 26 8.531 -3.678 6.691 225 2HG ARG 26 2HG ARG 26 8.129 -3.248 8.354 226 1HD ARG 26 1HD ARG 26 7.719 -5.433 8.621 227 2HD ARG 26 2HD ARG 26 6.212 -5.102 7.766 228 HE ARG 26 HE ARG 26 7.024 -6.249 5.956 229 1HH1 ARG 26 1HH1 ARG 26 9.641 -5.555 8.146 230 2HH1 ARG 26 2HH1 ARG 26 10.783 -6.547 7.300 231 1HH2 ARG 26 1HH2 ARG 26 8.519 -7.558 4.836 232 2HH2 ARG 26 2HH2 ARG 26 10.144 -7.685 5.419 233 H HIS 27 H HIS 27 6.765 -1.724 3.997 234 HA HIS 27 HA HIS 27 9.433 -2.490 3.369 235 1HB HIS 27 1HB HIS 27 6.907 -2.398 2.039 236 2HB HIS 27 2HB HIS 27 8.093 -1.576 1.034 237 HD1 HIS 27 HD1 HIS 27 10.320 -3.053 0.513 238 HD2 HIS 27 HD2 HIS 27 6.971 -5.109 1.866 239 HE1 HIS 27 HE1 HIS 27 10.723 -5.462 -0.085 240 HE2 HIS 27 HE2 HIS 27 8.683 -6.689 0.743 241 H LYS 28 H LYS 28 7.792 0.540 3.651 242 HA LYS 28 HA LYS 28 9.655 1.997 2.027 243 1HB LYS 28 1HB LYS 28 8.382 3.890 2.445 244 2HB LYS 28 2HB LYS 28 7.191 2.608 2.562 245 1HG LYS 28 1HG LYS 28 6.628 3.338 4.572 246 2HG LYS 28 2HG LYS 28 8.257 3.005 5.155 247 1HD LYS 28 1HD LYS 28 8.977 5.221 4.401 248 2HD LYS 28 2HD LYS 28 7.342 5.551 3.823 249 1HE LYS 28 1HE LYS 28 7.057 4.714 6.480 250 2HE LYS 28 2HE LYS 28 8.436 5.812 6.473 251 1HZ LYS 28 1HZ LYS 28 7.018 7.430 5.283 252 2HZ LYS 28 2HZ LYS 28 5.699 6.389 5.477 253 3HZ LYS 28 3HZ LYS 28 6.450 7.063 6.834 254 H GLN 29 H GLN 29 9.399 1.055 5.340 255 HA GLN 29 HA GLN 29 11.281 2.937 6.377 256 1HB GLN 29 1HB GLN 29 9.592 1.790 7.787 257 2HB GLN 29 2HB GLN 29 10.424 0.266 7.511 258 1HG GLN 29 1HG GLN 29 12.427 1.190 8.599 259 2HG GLN 29 2HG GLN 29 11.538 2.677 8.925 260 2HE2 GLN 29 2HE2 GLN 29 10.979 -0.815 9.278 261 1HE2 GLN 29 1HE2 GLN 29 10.404 -0.728 10.905 262 H SER 30 H SER 30 11.443 -0.434 5.300 263 HA SER 30 HA SER 30 14.181 -0.816 5.918 264 1HB SER 30 1HB SER 30 14.033 -2.821 4.565 265 2HB SER 30 2HB SER 30 12.546 -2.660 5.501 266 HG SER 30 HG SER 30 12.204 -3.188 3.266 267 H ILE 31 H ILE 31 12.517 0.048 2.898 268 HA ILE 31 HA ILE 31 14.897 0.274 1.353 269 HB ILE 31 HB ILE 31 12.745 -0.112 0.288 270 1HG1 ILE 31 1HG1 ILE 31 12.811 1.798 -1.401 271 2HG1 ILE 31 2HG1 ILE 31 14.108 2.484 -0.425 272 1HG2 ILE 31 1HG2 ILE 31 11.587 1.466 2.012 273 2HG2 ILE 31 2HG2 ILE 31 11.919 2.711 0.810 274 3HG2 ILE 31 3HG2 ILE 31 10.933 1.315 0.385 275 1HD1 ILE 31 1HD1 ILE 31 15.258 0.219 -0.730 276 2HD1 ILE 31 2HD1 ILE 31 14.083 -0.039 -2.019 277 3HD1 ILE 31 3HD1 ILE 31 15.202 1.321 -2.105 278 H LYS 32 H LYS 32 13.232 2.390 3.522 279 HA LYS 32 HA LYS 32 14.431 4.812 2.534 280 1HB LYS 32 1HB LYS 32 12.282 4.970 3.614 281 2HB LYS 32 2HB LYS 32 12.900 4.187 5.062 282 1HG LYS 32 1HG LYS 32 13.711 6.094 5.886 283 2HG LYS 32 2HG LYS 32 14.376 6.591 4.329 284 1HD LYS 32 1HD LYS 32 11.465 6.784 5.098 285 2HD LYS 32 2HD LYS 32 12.617 8.119 5.173 286 1HE LYS 32 1HE LYS 32 13.031 7.802 2.734 287 2HE LYS 32 2HE LYS 32 11.731 6.612 2.718 288 1HZ LYS 32 1HZ LYS 32 11.337 9.395 3.651 289 2HZ LYS 32 2HZ LYS 32 11.108 8.932 2.040 290 3HZ LYS 32 3HZ LYS 32 10.153 8.254 3.259 291 H LYS 33 H LYS 33 15.245 2.332 4.807 292 HA LYS 33 HA LYS 33 17.194 3.871 6.245 293 1HB LYS 33 1HB LYS 33 16.453 0.963 6.146 294 2HB LYS 33 2HB LYS 33 17.915 1.481 6.974 295 1HG LYS 33 1HG LYS 33 16.169 3.179 8.081 296 2HG LYS 33 2HG LYS 33 15.084 1.835 7.721 297 1HD LYS 33 1HD LYS 33 17.503 0.807 8.839 298 2HD LYS 33 2HD LYS 33 16.891 2.095 9.879 299 1HE LYS 33 1HE LYS 33 14.611 0.720 9.306 300 2HE LYS 33 2HE LYS 33 15.805 -0.577 9.335 301 1HZ LYS 33 1HZ LYS 33 16.512 0.614 11.535 302 2HZ LYS 33 2HZ LYS 33 14.921 1.186 11.505 303 3HZ LYS 33 3HZ LYS 33 15.220 -0.479 11.523 304 H LEU 34 H LEU 34 17.261 1.467 3.647 305 HA LEU 34 HA LEU 34 20.095 1.402 3.420 306 1HB LEU 34 1HB LEU 34 17.803 0.240 2.049 307 2HB LEU 34 2HB LEU 34 19.091 0.671 0.941 308 HG LEU 34 HG LEU 34 19.627 -0.978 3.396 309 1HD1 LEU 34 1HD1 LEU 34 18.722 -1.922 0.683 310 2HD1 LEU 34 2HD1 LEU 34 19.482 -2.959 1.890 311 3HD1 LEU 34 3HD1 LEU 34 17.930 -2.196 2.235 312 1HD2 LEU 34 1HD2 LEU 34 21.283 0.201 1.538 313 2HD2 LEU 34 2HD2 LEU 34 21.707 -1.137 2.607 314 3HD2 LEU 34 3HD2 LEU 34 21.149 -1.461 0.965 315 H LYS 35 H LYS 35 17.555 3.320 1.939 316 HA LYS 35 HA LYS 35 19.246 4.528 -0.027 317 1HB LYS 35 1HB LYS 35 16.470 5.009 0.979 318 2HB LYS 35 2HB LYS 35 17.254 6.248 0.008 319 1HG LYS 35 1HG LYS 35 17.711 4.323 -1.654 320 2HG LYS 35 2HG LYS 35 16.441 3.479 -0.764 321 1HD LYS 35 1HD LYS 35 15.153 5.754 -1.131 322 2HD LYS 35 2HD LYS 35 16.271 5.901 -2.489 323 1HE LYS 35 1HE LYS 35 14.995 3.272 -2.231 324 2HE LYS 35 2HE LYS 35 13.882 4.597 -2.568 325 1HZ LYS 35 1HZ LYS 35 16.339 4.101 -4.151 326 2HZ LYS 35 2HZ LYS 35 14.828 3.463 -4.564 327 3HZ LYS 35 3HZ LYS 35 15.058 5.139 -4.531 328 H GLN 36 H GLN 36 18.204 5.335 3.228 329 HA GLN 36 HA GLN 36 19.223 7.988 3.236 330 1HB GLN 36 1HB GLN 36 17.494 7.042 4.820 331 2HB GLN 36 2HB GLN 36 18.809 6.210 5.639 332 1HG GLN 36 1HG GLN 36 19.801 8.245 6.317 333 2HG GLN 36 2HG GLN 36 18.759 9.186 5.250 334 2HE2 GLN 36 2HE2 GLN 36 16.399 9.008 5.716 335 1HE2 GLN 36 1HE2 GLN 36 15.917 8.975 7.375 336 H SER 37 H SER 37 20.606 4.850 3.806 337 HA SER 37 HA SER 37 22.935 5.717 5.183 338 1HB SER 37 1HB SER 37 22.562 3.213 3.523 339 2HB SER 37 2HB SER 37 23.801 3.483 4.749 340 HG SER 37 HG SER 37 21.370 2.515 5.091 341 H GLU 38 H GLU 38 22.009 5.607 1.848 342 HA GLU 38 HA GLU 38 24.714 5.879 0.855 343 1HB GLU 38 1HB GLU 38 22.987 4.661 -0.432 344 2HB GLU 38 2HB GLU 38 22.078 6.156 -0.601 345 1HG GLU 38 1HG GLU 38 24.631 6.773 -1.512 346 2HG GLU 38 2HG GLU 38 24.296 5.163 -2.148 347 H ASP 39 H ASP 39 22.088 7.935 1.780 348 HA ASP 39 HA ASP 39 23.168 10.265 0.436 349 1HB ASP 39 1HB ASP 39 20.662 9.540 1.703 350 2HB ASP 39 2HB ASP 39 21.221 11.118 2.250 351 H ASP 40 H ASP 40 23.375 8.739 3.525 352 HA ASP 40 HA ASP 40 23.935 10.800 5.253 353 1HB ASP 40 1HB ASP 40 24.085 8.059 5.373 354 2HB ASP 40 2HB ASP 40 25.772 8.531 5.557 355 H ASP 41 H ASP 41 25.120 12.511 4.587 356 HA ASP 41 HA ASP 41 27.501 12.281 3.043 357 1HB ASP 41 1HB ASP 41 26.766 14.684 4.700 358 2HB ASP 41 2HB ASP 41 27.646 14.632 3.176 359 H1 ALA 1 H1 ALA 1 28.757 10.866 -2.652 360 H2 ALA 1 H2 ALA 1 30.310 10.867 -1.921 361 H3 ALA 1 H3 ALA 1 30.158 10.621 -3.611 362 HA ALA 1 HA ALA 1 30.608 8.584 -2.509 363 1HB ALA 1 1HB ALA 1 28.667 9.637 -0.647 364 2HB ALA 1 2HB ALA 1 28.257 7.997 -1.149 365 3HB ALA 1 3HB ALA 1 29.836 8.333 -0.438 366 H LEU 2 H LEU 2 29.261 6.533 -2.870 367 HA LEU 2 HA LEU 2 26.895 6.460 -4.294 368 1HB LEU 2 1HB LEU 2 28.937 7.581 -5.857 369 2HB LEU 2 2HB LEU 2 28.745 5.941 -6.448 370 HG LEU 2 HG LEU 2 26.301 7.611 -6.085 371 1HD1 LEU 2 1HD1 LEU 2 28.247 8.835 -7.364 372 2HD1 LEU 2 2HD1 LEU 2 27.752 7.766 -8.676 373 3HD1 LEU 2 3HD1 LEU 2 26.589 8.883 -7.961 374 1HD2 LEU 2 1HD2 LEU 2 27.183 5.274 -7.701 375 2HD2 LEU 2 2HD2 LEU 2 25.700 5.515 -6.779 376 3HD2 LEU 2 3HD2 LEU 2 25.908 6.312 -8.338 377 H LYS 3 H LYS 3 26.636 4.569 -3.154 378 HA LYS 3 HA LYS 3 28.557 2.411 -3.500 379 1HB LYS 3 1HB LYS 3 25.967 2.425 -1.942 380 2HB LYS 3 2HB LYS 3 27.241 1.217 -1.846 381 1HG LYS 3 1HG LYS 3 27.562 2.531 0.042 382 2HG LYS 3 2HG LYS 3 28.754 3.143 -1.107 383 1HD LYS 3 1HD LYS 3 27.765 5.157 -1.243 384 2HD LYS 3 2HD LYS 3 26.142 4.465 -1.255 385 1HE LYS 3 1HE LYS 3 26.697 5.902 0.736 386 2HE LYS 3 2HE LYS 3 26.101 4.284 1.105 387 1HZ LYS 3 1HZ LYS 3 28.998 4.734 0.915 388 2HZ LYS 3 2HZ LYS 3 28.184 5.221 2.315 389 3HZ LYS 3 3HZ LYS 3 28.147 3.600 1.836 390 H LYS 4 H LYS 4 27.861 0.262 -4.157 391 HA LYS 4 HA LYS 4 25.831 0.413 -6.276 392 1HB LYS 4 1HB LYS 4 28.453 -0.796 -6.094 393 2HB LYS 4 2HB LYS 4 27.244 -1.992 -6.542 394 1HG LYS 4 1HG LYS 4 27.234 0.610 -7.972 395 2HG LYS 4 2HG LYS 4 28.508 -0.551 -8.348 396 1HD LYS 4 1HD LYS 4 26.493 -2.229 -8.500 397 2HD LYS 4 2HD LYS 4 25.563 -0.754 -8.772 398 1HE LYS 4 1HE LYS 4 27.027 -0.173 -10.639 399 2HE LYS 4 2HE LYS 4 27.969 -1.638 -10.363 400 1HZ LYS 4 1HZ LYS 4 25.694 -2.796 -10.664 401 2HZ LYS 4 2HZ LYS 4 25.245 -1.362 -11.440 402 3HZ LYS 4 3HZ LYS 4 26.542 -2.272 -12.032 403 H HIS 5 H HIS 5 27.061 -1.858 -3.816 404 HA HIS 5 HA HIS 5 25.108 -3.794 -3.985 405 1HB HIS 5 1HB HIS 5 25.560 -4.025 -1.421 406 2HB HIS 5 2HB HIS 5 26.859 -4.349 -2.565 407 HD1 HIS 5 HD1 HIS 5 28.992 -3.232 -2.017 408 HD2 HIS 5 HD2 HIS 5 25.734 -1.187 -0.445 409 HE1 HIS 5 HE1 HIS 5 29.967 -1.324 -0.701 410 HE2 HIS 5 HE2 HIS 5 27.977 -0.099 0.242 411 H HIS 6 H HIS 6 25.025 -0.720 -2.256 412 HA HIS 6 HA HIS 6 22.610 -1.129 -0.879 413 1HB HIS 6 1HB HIS 6 24.338 1.163 -1.532 414 2HB HIS 6 2HB HIS 6 22.641 1.575 -1.314 415 HD1 HIS 6 HD1 HIS 6 23.896 -1.230 0.737 416 HD2 HIS 6 HD2 HIS 6 23.426 2.883 1.103 417 HE1 HIS 6 HE1 HIS 6 24.141 -0.740 3.192 418 HE2 HIS 6 HE2 HIS 6 23.853 1.755 3.391 419 H GLU 7 H GLU 7 23.212 0.591 -3.946 420 HA GLU 7 HA GLU 7 20.591 1.199 -4.583 421 1HB GLU 7 1HB GLU 7 22.929 1.676 -5.783 422 2HB GLU 7 2HB GLU 7 22.387 0.345 -6.795 423 1HG GLU 7 1HG GLU 7 21.671 2.291 -7.880 424 2HG GLU 7 2HG GLU 7 20.232 1.632 -7.102 425 H ASN 8 H ASN 8 22.194 -1.860 -4.593 426 HA ASN 8 HA ASN 8 20.469 -3.198 -6.421 427 1HB ASN 8 1HB ASN 8 22.729 -3.875 -4.749 428 2HB ASN 8 2HB ASN 8 21.477 -5.107 -4.623 429 2HD2 ASN 8 2HD2 ASN 8 23.383 -6.271 -5.634 430 1HD2 ASN 8 1HD2 ASN 8 23.414 -6.328 -7.360 431 H GLU 9 H GLU 9 20.719 -3.425 -2.858 432 HA GLU 9 HA GLU 9 18.194 -4.746 -2.622 433 1HB GLU 9 1HB GLU 9 19.648 -3.278 -0.424 434 2HB GLU 9 2HB GLU 9 18.522 -4.618 -0.263 435 1HG GLU 9 1HG GLU 9 20.367 -5.858 -0.071 436 2HG GLU 9 2HG GLU 9 20.427 -5.734 -1.829 437 H ILE 10 H ILE 10 18.990 -1.571 -3.280 438 HA ILE 10 HA ILE 10 16.744 -0.369 -1.899 439 HB ILE 10 HB ILE 10 18.987 0.730 -3.592 440 1HG1 ILE 10 1HG1 ILE 10 18.259 1.430 -0.756 441 2HG1 ILE 10 2HG1 ILE 10 19.285 0.052 -1.142 442 1HG2 ILE 10 1HG2 ILE 10 16.890 1.988 -4.052 443 2HG2 ILE 10 2HG2 ILE 10 16.812 2.387 -2.334 444 3HG2 ILE 10 3HG2 ILE 10 18.168 2.951 -3.311 445 1HD1 ILE 10 1HD1 ILE 10 20.700 1.768 -2.446 446 2HD1 ILE 10 2HD1 ILE 10 19.832 2.965 -1.485 447 3HD1 ILE 10 3HD1 ILE 10 20.803 1.728 -0.686 448 H SER 11 H SER 11 17.708 -1.475 -5.056 449 HA SER 11 HA SER 11 15.512 -0.189 -6.420 450 1HB SER 11 1HB SER 11 16.278 -1.696 -8.339 451 2HB SER 11 2HB SER 11 17.456 -0.519 -7.757 452 HG SER 11 HG SER 11 18.678 -2.232 -7.607 453 H HIS 12 H HIS 12 16.206 -3.226 -4.884 454 HA HIS 12 HA HIS 12 13.919 -4.571 -5.993 455 1HB HIS 12 1HB HIS 12 15.352 -6.242 -5.473 456 2HB HIS 12 2HB HIS 12 16.220 -5.257 -4.309 457 HD1 HIS 12 HD1 HIS 12 13.508 -7.804 -4.584 458 HD2 HIS 12 HD2 HIS 12 15.377 -5.532 -1.652 459 HE1 HIS 12 HE1 HIS 12 12.793 -8.817 -2.396 460 HE2 HIS 12 HE2 HIS 12 13.938 -7.428 -0.631 461 H HIS 13 H HIS 13 14.778 -3.175 -2.803 462 HA HIS 13 HA HIS 13 12.242 -3.720 -1.646 463 1HB HIS 13 1HB HIS 13 14.296 -1.628 -0.923 464 2HB HIS 13 2HB HIS 13 12.886 -2.021 0.048 465 HD1 HIS 13 HD1 HIS 13 13.259 -5.191 -0.388 466 HD2 HIS 13 HD2 HIS 13 16.068 -2.463 0.975 467 HE1 HIS 13 HE1 HIS 13 14.909 -6.546 0.946 468 HE2 HIS 13 HE2 HIS 13 16.609 -4.874 1.764 469 H ALA 14 H ALA 14 13.468 -1.215 -3.718 470 HA ALA 14 HA ALA 14 11.476 0.736 -3.195 471 1HB ALA 14 1HB ALA 14 13.376 0.275 -5.475 472 2HB ALA 14 2HB ALA 14 13.402 1.545 -4.251 473 3HB ALA 14 3HB ALA 14 12.177 1.568 -5.520 474 H LYS 15 H LYS 15 11.821 -1.723 -5.749 475 HA LYS 15 HA LYS 15 9.334 -1.152 -6.982 476 1HB LYS 15 1HB LYS 15 11.435 -3.178 -7.220 477 2HB LYS 15 2HB LYS 15 9.826 -3.808 -7.546 478 1HG LYS 15 1HG LYS 15 10.677 -1.268 -8.847 479 2HG LYS 15 2HG LYS 15 11.285 -2.806 -9.465 480 1HD LYS 15 1HD LYS 15 8.642 -3.360 -9.200 481 2HD LYS 15 2HD LYS 15 8.588 -1.643 -9.603 482 1HE LYS 15 1HE LYS 15 8.476 -2.855 -11.648 483 2HE LYS 15 2HE LYS 15 10.087 -2.145 -11.546 484 1HZ LYS 15 1HZ LYS 15 10.076 -4.718 -10.372 485 2HZ LYS 15 2HZ LYS 15 9.450 -4.806 -11.940 486 3HZ LYS 15 3HZ LYS 15 10.987 -4.150 -11.679 487 H GLU 16 H GLU 16 10.225 -2.896 -4.148 488 HA GLU 16 HA GLU 16 7.889 -4.539 -4.005 489 1HB GLU 16 1HB GLU 16 9.886 -3.772 -1.870 490 2HB GLU 16 2HB GLU 16 8.652 -5.014 -1.705 491 1HG GLU 16 1HG GLU 16 10.264 -5.433 -4.064 492 2HG GLU 16 2HG GLU 16 11.252 -5.346 -2.606 493 H ILE 17 H ILE 17 8.865 -1.410 -2.641 494 HA ILE 17 HA ILE 17 6.541 -1.177 -0.989 495 HB ILE 17 HB ILE 17 7.333 0.899 -0.327 496 1HG1 ILE 17 1HG1 ILE 17 9.196 2.035 -1.865 497 2HG1 ILE 17 2HG1 ILE 17 8.352 1.142 -3.127 498 1HG2 ILE 17 1HG2 ILE 17 9.151 -1.169 -0.551 499 2HG2 ILE 17 2HG2 ILE 17 10.038 0.249 -1.112 500 3HG2 ILE 17 3HG2 ILE 17 9.291 0.252 0.484 501 1HD1 ILE 17 1HD1 ILE 17 6.323 2.359 -1.700 502 2HD1 ILE 17 2HD1 ILE 17 7.602 3.572 -1.759 503 3HD1 ILE 17 3HD1 ILE 17 6.978 2.874 -3.253 504 H GLU 18 H GLU 18 7.385 -0.132 -4.239 505 HA GLU 18 HA GLU 18 5.017 1.442 -4.598 506 1HB GLU 18 1HB GLU 18 7.312 1.556 -5.856 507 2HB GLU 18 2HB GLU 18 6.602 0.314 -6.878 508 1HG GLU 18 1HG GLU 18 4.657 1.882 -7.221 509 2HG GLU 18 2HG GLU 18 5.636 3.123 -6.440 510 H ARG 19 H ARG 19 5.901 -1.883 -4.992 511 HA ARG 19 HA ARG 19 3.765 -2.613 -6.737 512 1HB ARG 19 1HB ARG 19 5.783 -3.973 -6.595 513 2HB ARG 19 2HB ARG 19 5.477 -4.290 -4.892 514 1HG ARG 19 1HG ARG 19 3.217 -5.258 -5.796 515 2HG ARG 19 2HG ARG 19 4.127 -5.396 -7.302 516 1HD ARG 19 1HD ARG 19 5.914 -6.436 -5.583 517 2HD ARG 19 2HD ARG 19 4.418 -6.870 -4.758 518 HE ARG 19 HE ARG 19 5.419 -7.957 -7.228 519 1HH1 ARG 19 1HH1 ARG 19 2.602 -7.422 -5.254 520 2HH1 ARG 19 2HH1 ARG 19 1.699 -8.720 -5.962 521 1HH2 ARG 19 1HH2 ARG 19 4.240 -9.669 -8.168 522 2HH2 ARG 19 2HH2 ARG 19 2.631 -9.998 -7.619 523 H LEU 20 H LEU 20 4.278 -2.825 -3.219 524 HA LEU 20 HA LEU 20 1.793 -4.062 -2.664 525 1HB LEU 20 1HB LEU 20 3.325 -2.272 -0.785 526 2HB LEU 20 2HB LEU 20 2.227 -3.575 -0.371 527 HG LEU 20 HG LEU 20 4.560 -4.384 -1.977 528 1HD1 LEU 20 1HD1 LEU 20 5.291 -2.571 -0.239 529 2HD1 LEU 20 2HD1 LEU 20 5.073 -3.886 0.917 530 3HD1 LEU 20 3HD1 LEU 20 6.213 -4.063 -0.417 531 1HD2 LEU 20 1HD2 LEU 20 2.863 -5.421 0.224 532 2HD2 LEU 20 2HD2 LEU 20 3.401 -6.206 -1.260 533 3HD2 LEU 20 3HD2 LEU 20 4.512 -6.034 0.100 534 H GLN 21 H GLN 21 2.836 -0.714 -2.911 535 HA GLN 21 HA GLN 21 0.512 0.500 -1.891 536 1HB GLN 21 1HB GLN 21 2.700 1.648 -2.284 537 2HB GLN 21 2HB GLN 21 2.365 1.602 -4.009 538 1HG GLN 21 1HG GLN 21 0.207 2.851 -3.427 539 2HG GLN 21 2HG GLN 21 0.972 3.164 -1.869 540 2HE2 GLN 21 2HE2 GLN 21 3.622 3.418 -2.813 541 1HE2 GLN 21 1HE2 GLN 21 3.728 4.892 -3.708 542 H LYS 22 H LYS 22 1.397 -0.612 -5.114 543 HA LYS 22 HA LYS 22 -0.743 0.498 -6.542 544 1HB LYS 22 1HB LYS 22 1.147 -0.448 -7.708 545 2HB LYS 22 2HB LYS 22 0.838 -2.034 -7.015 546 1HG LYS 22 1HG LYS 22 -1.424 -1.898 -8.219 547 2HG LYS 22 2HG LYS 22 -0.691 -0.583 -9.139 548 1HD LYS 22 1HD LYS 22 -0.136 -2.332 -10.494 549 2HD LYS 22 2HD LYS 22 1.258 -2.360 -9.412 550 1HE LYS 22 1HE LYS 22 0.749 -4.419 -8.757 551 2HE LYS 22 2HE LYS 22 -0.856 -3.889 -8.252 552 1HZ LYS 22 1HZ LYS 22 -0.837 -4.081 -11.042 553 2HZ LYS 22 2HZ LYS 22 -0.170 -5.510 -10.430 554 3HZ LYS 22 3HZ LYS 22 -1.711 -5.016 -9.935 555 H GLU 23 H GLU 23 -0.404 -2.686 -4.997 556 HA GLU 23 HA GLU 23 -2.879 -3.747 -5.675 557 1HB GLU 23 1HB GLU 23 -0.759 -4.596 -4.181 558 2HB GLU 23 2HB GLU 23 -1.976 -4.350 -2.936 559 1HG GLU 23 1HG GLU 23 -3.341 -5.703 -4.914 560 2HG GLU 23 2HG GLU 23 -1.742 -6.446 -4.922 561 H ILE 24 H ILE 24 -1.993 -1.716 -2.903 562 HA ILE 24 HA ILE 24 -4.529 -1.753 -1.680 563 HB ILE 24 HB ILE 24 -3.749 -0.252 -0.156 564 1HG1 ILE 24 1HG1 ILE 24 -1.838 1.470 -1.003 565 2HG1 ILE 24 2HG1 ILE 24 -2.750 1.264 -2.495 566 1HG2 ILE 24 1HG2 ILE 24 -1.947 -2.042 -0.778 567 2HG2 ILE 24 2HG2 ILE 24 -1.012 -0.625 -1.252 568 3HG2 ILE 24 3HG2 ILE 24 -1.603 -0.778 0.402 569 1HD1 ILE 24 1HD1 ILE 24 -4.616 1.639 -0.408 570 2HD1 ILE 24 2HD1 ILE 24 -3.362 2.871 -0.241 571 3HD1 ILE 24 3HD1 ILE 24 -4.246 2.712 -1.760 572 H GLU 25 H GLU 25 -3.194 0.107 -4.300 573 HA GLU 25 HA GLU 25 -5.087 2.160 -4.460 574 1HB GLU 25 1HB GLU 25 -2.859 1.722 -5.794 575 2HB GLU 25 2HB GLU 25 -3.939 0.944 -6.943 576 1HG GLU 25 1HG GLU 25 -5.206 3.322 -6.452 577 2HG GLU 25 2HG GLU 25 -3.501 3.769 -6.399 578 H ARG 26 H ARG 26 -5.045 -1.084 -5.890 579 HA ARG 26 HA ARG 26 -7.434 -0.856 -7.348 580 1HB ARG 26 1HB ARG 26 -5.882 -2.691 -7.731 581 2HB ARG 26 2HB ARG 26 -6.143 -3.290 -6.098 582 1HG ARG 26 1HG ARG 26 -8.531 -3.672 -6.693 583 2HG ARG 26 2HG ARG 26 -8.128 -3.243 -8.357 584 1HD ARG 26 1HD ARG 26 -7.719 -5.428 -8.623 585 2HD ARG 26 2HD ARG 26 -6.212 -5.097 -7.769 586 HE ARG 26 HE ARG 26 -7.024 -6.244 -5.959 587 1HH1 ARG 26 1HH1 ARG 26 -9.641 -5.549 -8.148 588 2HH1 ARG 26 2HH1 ARG 26 -10.783 -6.542 -7.305 589 1HH2 ARG 26 1HH2 ARG 26 -8.519 -7.556 -4.841 590 2HH2 ARG 26 2HH2 ARG 26 -10.144 -7.683 -5.424 591 H HIS 27 H HIS 27 -6.765 -1.722 -3.999 592 HA HIS 27 HA HIS 27 -9.434 -2.488 -3.371 593 1HB HIS 27 1HB HIS 27 -6.907 -2.397 -2.041 594 2HB HIS 27 2HB HIS 27 -8.093 -1.575 -1.035 595 HD1 HIS 27 HD1 HIS 27 -10.320 -3.052 -0.515 596 HD2 HIS 27 HD2 HIS 27 -6.972 -5.108 -1.870 597 HE1 HIS 27 HE1 HIS 27 -10.723 -5.462 0.082 598 HE2 HIS 27 HE2 HIS 27 -8.683 -6.688 -0.748 599 H LYS 28 H LYS 28 -7.792 0.543 -3.650 600 HA LYS 28 HA LYS 28 -9.655 1.999 -2.025 601 1HB LYS 28 1HB LYS 28 -8.382 3.892 -2.442 602 2HB LYS 28 2HB LYS 28 -7.191 2.610 -2.560 603 1HG LYS 28 1HG LYS 28 -6.628 3.340 -4.569 604 2HG LYS 28 2HG LYS 28 -8.257 3.008 -5.153 605 1HD LYS 28 1HD LYS 28 -8.977 5.224 -4.397 606 2HD LYS 28 2HD LYS 28 -7.342 5.554 -3.820 607 1HE LYS 28 1HE LYS 28 -7.057 4.719 -6.477 608 2HE LYS 28 2HE LYS 28 -8.436 5.817 -6.469 609 1HZ LYS 28 1HZ LYS 28 -7.018 7.433 -5.279 610 2HZ LYS 28 2HZ LYS 28 -5.699 6.393 -5.473 611 3HZ LYS 28 3HZ LYS 28 -6.450 7.068 -6.830 612 H GLN 29 H GLN 29 -9.399 1.058 -5.340 613 HA GLN 29 HA GLN 29 -11.281 2.941 -6.376 614 1HB GLN 29 1HB GLN 29 -9.592 1.794 -7.785 615 2HB GLN 29 2HB GLN 29 -10.424 0.271 -7.511 616 1HG GLN 29 1HG GLN 29 -12.427 1.195 -8.598 617 2HG GLN 29 2HG GLN 29 -11.538 2.683 -8.923 618 2HE2 GLN 29 2HE2 GLN 29 -10.979 -0.809 -9.279 619 1HE2 GLN 29 1HE2 GLN 29 -10.403 -0.722 -10.905 620 H SER 30 H SER 30 -11.443 -0.431 -5.301 621 HA SER 30 HA SER 30 -14.181 -0.812 -5.919 622 1HB SER 30 1HB SER 30 -14.033 -2.818 -4.567 623 2HB SER 30 2HB SER 30 -12.546 -2.657 -5.503 624 HG SER 30 HG SER 30 -12.204 -3.186 -3.269 625 H ILE 31 H ILE 31 -12.517 0.050 -2.898 626 HA ILE 31 HA ILE 31 -14.897 0.275 -1.353 627 HB ILE 31 HB ILE 31 -12.745 -0.111 -0.288 628 1HG1 ILE 31 1HG1 ILE 31 -12.811 1.797 1.402 629 2HG1 ILE 31 2HG1 ILE 31 -14.109 2.484 0.426 630 1HG2 ILE 31 1HG2 ILE 31 -11.587 1.468 -2.012 631 2HG2 ILE 31 2HG2 ILE 31 -11.919 2.712 -0.808 632 3HG2 ILE 31 3HG2 ILE 31 -10.933 1.316 -0.384 633 1HD1 ILE 31 1HD1 ILE 31 -15.258 0.218 0.730 634 2HD1 ILE 31 2HD1 ILE 31 -14.083 -0.041 2.020 635 3HD1 ILE 31 3HD1 ILE 31 -15.203 1.319 2.106 636 H LYS 32 H LYS 32 -13.230 2.393 -3.519 637 HA LYS 32 HA LYS 32 -14.431 4.814 -2.532 638 1HB LYS 32 1HB LYS 32 -12.282 4.973 -3.612 639 2HB LYS 32 2HB LYS 32 -12.900 4.190 -5.060 640 1HG LYS 32 1HG LYS 32 -13.710 6.098 -5.883 641 2HG LYS 32 2HG LYS 32 -14.376 6.594 -4.326 642 1HD LYS 32 1HD LYS 32 -11.465 6.787 -5.094 643 2HD LYS 32 2HD LYS 32 -12.617 8.122 -5.169 644 1HE LYS 32 1HE LYS 32 -13.031 7.804 -2.730 645 2HE LYS 32 2HE LYS 32 -11.731 6.614 -2.713 646 1HZ LYS 32 1HZ LYS 32 -11.337 9.398 -3.645 647 2HZ LYS 32 2HZ LYS 32 -11.108 8.934 -2.035 648 3HZ LYS 32 3HZ LYS 32 -10.153 8.256 -3.254 649 H LYS 33 H LYS 33 -15.244 2.335 -4.804 650 HA LYS 33 HA LYS 33 -17.194 3.875 -6.242 651 1HB LYS 33 1HB LYS 33 -16.451 0.967 -6.146 652 2HB LYS 33 2HB LYS 33 -17.914 1.485 -6.972 653 1HG LYS 33 1HG LYS 33 -16.170 3.184 -8.078 654 2HG LYS 33 2HG LYS 33 -15.083 1.840 -7.721 655 1HD LYS 33 1HD LYS 33 -17.503 0.813 -8.838 656 2HD LYS 33 2HD LYS 33 -16.891 2.102 -9.878 657 1HE LYS 33 1HE LYS 33 -14.611 0.726 -9.306 658 2HE LYS 33 2HE LYS 33 -15.805 -0.570 -9.336 659 1HZ LYS 33 1HZ LYS 33 -16.512 0.622 -11.536 660 2HZ LYS 33 2HZ LYS 33 -14.921 1.193 -11.504 661 3HZ LYS 33 3HZ LYS 33 -15.220 -0.472 -11.524 662 H LEU 34 H LEU 34 -17.261 1.470 -3.646 663 HA LEU 34 HA LEU 34 -20.095 1.404 -3.419 664 1HB LEU 34 1HB LEU 34 -17.803 0.241 -2.050 665 2HB LEU 34 2HB LEU 34 -19.092 0.673 -0.941 666 HG LEU 34 HG LEU 34 -19.627 -0.977 -3.397 667 1HD1 LEU 34 1HD1 LEU 34 -18.723 -1.921 -0.684 668 2HD1 LEU 34 2HD1 LEU 34 -19.482 -2.958 -1.892 669 3HD1 LEU 34 3HD1 LEU 34 -17.930 -2.194 -2.235 670 1HD2 LEU 34 1HD2 LEU 34 -21.284 0.203 -1.538 671 2HD2 LEU 34 2HD2 LEU 34 -21.708 -1.134 -2.607 672 3HD2 LEU 34 3HD2 LEU 34 -21.149 -1.460 -0.966 673 H LYS 35 H LYS 35 -17.555 3.322 -1.937 674 HA LYS 35 HA LYS 35 -19.246 4.529 0.030 675 1HB LYS 35 1HB LYS 35 -16.470 5.010 -0.977 676 2HB LYS 35 2HB LYS 35 -17.253 6.248 -0.006 677 1HG LYS 35 1HG LYS 35 -17.711 4.323 1.657 678 2HG LYS 35 2HG LYS 35 -16.442 3.479 0.766 679 1HD LYS 35 1HD LYS 35 -15.154 5.753 1.135 680 2HD LYS 35 2HD LYS 35 -16.271 5.899 2.493 681 1HE LYS 35 1HE LYS 35 -14.996 3.270 2.233 682 2HE LYS 35 2HE LYS 35 -13.882 4.595 2.571 683 1HZ LYS 35 1HZ LYS 35 -16.340 4.098 4.154 684 2HZ LYS 35 2HZ LYS 35 -14.828 3.460 4.566 685 3HZ LYS 35 3HZ LYS 35 -15.059 5.136 4.534 686 H GLN 36 H GLN 36 -18.204 5.338 -3.224 687 HA GLN 36 HA GLN 36 -19.223 7.991 -3.230 688 1HB GLN 36 1HB GLN 36 -17.493 7.046 -4.814 689 2HB GLN 36 2HB GLN 36 -18.808 6.214 -5.634 690 1HG GLN 36 1HG GLN 36 -19.800 8.249 -6.312 691 2HG GLN 36 2HG GLN 36 -18.759 9.190 -5.245 692 2HE2 GLN 36 2HE2 GLN 36 -16.399 9.012 -5.711 693 1HE2 GLN 36 1HE2 GLN 36 -15.916 8.979 -7.370 694 H SER 37 H SER 37 -20.606 4.853 -3.802 695 HA SER 37 HA SER 37 -22.935 5.721 -5.179 696 1HB SER 37 1HB SER 37 -22.562 3.216 -3.520 697 2HB SER 37 2HB SER 37 -23.801 3.487 -4.746 698 HG SER 37 HG SER 37 -21.373 2.517 -5.090 699 H GLU 38 H GLU 38 -22.009 5.609 -1.844 700 HA GLU 38 HA GLU 38 -24.714 5.880 -0.852 701 1HB GLU 38 1HB GLU 38 -22.987 4.661 0.435 702 2HB GLU 38 2HB GLU 38 -22.078 6.156 0.605 703 1HG GLU 38 1HG GLU 38 -24.631 6.772 1.516 704 2HG GLU 38 2HG GLU 38 -24.296 5.162 2.151 705 H ASP 39 H ASP 39 -22.089 7.937 -1.776 706 HA ASP 39 HA ASP 39 -23.168 10.266 -0.429 707 1HB ASP 39 1HB ASP 39 -20.662 9.542 -1.698 708 2HB ASP 39 2HB ASP 39 -21.221 11.120 -2.243 709 H ASP 40 H ASP 40 -23.375 8.741 -3.520 710 HA ASP 40 HA ASP 40 -23.935 10.804 -5.246 711 1HB ASP 40 1HB ASP 40 -24.085 8.062 -5.369 712 2HB ASP 40 2HB ASP 40 -25.772 8.535 -5.551 713 H ASP 41 H ASP 41 -25.120 12.514 -4.580 714 HA ASP 41 HA ASP 41 -27.501 12.282 -3.036 715 1HB ASP 41 1HB ASP 41 -26.765 14.687 -4.692 716 2HB ASP 41 2HB ASP 41 -27.645 14.634 -3.168 No H/Q in entry = 716 Start of MODEL 30 1 H1 ALA 1 H1 ALA 1 -26.573 9.551 7.726 2 H2 ALA 1 H2 ALA 1 -24.889 9.320 7.961 3 H3 ALA 1 H3 ALA 1 -25.453 10.152 6.572 4 HA ALA 1 HA ALA 1 -24.992 8.134 5.731 5 1HB ALA 1 1HB ALA 1 -24.365 6.665 7.307 6 2HB ALA 1 2HB ALA 1 -26.038 6.115 7.217 7 3HB ALA 1 3HB ALA 1 -25.551 7.254 8.472 8 H LEU 2 H LEU 2 -26.453 6.338 4.868 9 HA LEU 2 HA LEU 2 -29.293 6.984 5.020 10 1HB LEU 2 1HB LEU 2 -27.904 6.787 2.355 11 2HB LEU 2 2HB LEU 2 -29.573 7.227 2.661 12 HG LEU 2 HG LEU 2 -28.249 9.163 4.057 13 1HD1 LEU 2 1HD1 LEU 2 -26.228 8.009 2.618 14 2HD1 LEU 2 2HD1 LEU 2 -26.727 9.340 1.573 15 3HD1 LEU 2 3HD1 LEU 2 -26.233 9.662 3.236 16 1HD2 LEU 2 1HD2 LEU 2 -30.142 9.342 2.417 17 2HD2 LEU 2 2HD2 LEU 2 -28.957 10.646 2.337 18 3HD2 LEU 2 3HD2 LEU 2 -28.936 9.359 1.131 19 H LYS 3 H LYS 3 -26.851 4.943 3.432 20 HA LYS 3 HA LYS 3 -28.740 2.699 3.510 21 1HB LYS 3 1HB LYS 3 -26.176 3.114 1.969 22 2HB LYS 3 2HB LYS 3 -27.059 1.593 1.991 23 1HG LYS 3 1HG LYS 3 -28.118 2.371 0.197 24 2HG LYS 3 2HG LYS 3 -29.005 3.403 1.320 25 1HD LYS 3 1HD LYS 3 -27.550 5.234 0.927 26 2HD LYS 3 2HD LYS 3 -26.386 4.214 0.079 27 1HE LYS 3 1HE LYS 3 -28.128 3.804 -1.662 28 2HE LYS 3 2HE LYS 3 -29.147 4.991 -0.847 29 1HZ LYS 3 1HZ LYS 3 -26.589 6.089 -1.287 30 2HZ LYS 3 2HZ LYS 3 -27.176 5.463 -2.746 31 3HZ LYS 3 3HZ LYS 3 -28.081 6.608 -1.891 32 H LYS 4 H LYS 4 -27.608 0.508 3.867 33 HA LYS 4 HA LYS 4 -25.716 0.764 6.113 34 1HB LYS 4 1HB LYS 4 -26.862 -1.488 6.825 35 2HB LYS 4 2HB LYS 4 -27.603 0.054 7.229 36 1HG LYS 4 1HG LYS 4 -28.948 -0.217 5.083 37 2HG LYS 4 2HG LYS 4 -28.391 -1.892 5.089 38 1HD LYS 4 1HD LYS 4 -30.525 -1.840 6.155 39 2HD LYS 4 2HD LYS 4 -29.311 -2.096 7.410 40 1HE LYS 4 1HE LYS 4 -30.280 -0.397 8.485 41 2HE LYS 4 2HE LYS 4 -29.510 0.644 7.288 42 1HZ LYS 4 1HZ LYS 4 -32.241 -0.504 7.070 43 2HZ LYS 4 2HZ LYS 4 -31.876 1.098 7.475 44 3HZ LYS 4 3HZ LYS 4 -31.502 0.509 5.933 45 H HIS 5 H HIS 5 -26.960 -1.516 3.671 46 HA HIS 5 HA HIS 5 -25.015 -3.456 3.818 47 1HB HIS 5 1HB HIS 5 -25.536 -3.966 1.460 48 2HB HIS 5 2HB HIS 5 -26.993 -3.689 2.410 49 HD1 HIS 5 HD1 HIS 5 -26.515 -3.301 -0.782 50 HD2 HIS 5 HD2 HIS 5 -26.909 -0.347 2.113 51 HE1 HIS 5 HE1 HIS 5 -27.288 -1.251 -2.016 52 HE2 HIS 5 HE2 HIS 5 -27.521 0.525 -0.244 53 H HIS 6 H HIS 6 -24.842 -0.289 2.337 54 HA HIS 6 HA HIS 6 -22.500 -0.672 0.826 55 1HB HIS 6 1HB HIS 6 -23.789 1.774 2.027 56 2HB HIS 6 2HB HIS 6 -22.280 1.877 1.127 57 HD1 HIS 6 HD1 HIS 6 -24.372 -0.667 -0.347 58 HD2 HIS 6 HD2 HIS 6 -24.089 3.471 -0.600 59 HE1 HIS 6 HE1 HIS 6 -25.585 -0.039 -2.458 60 HE2 HIS 6 HE2 HIS 6 -25.401 2.471 -2.592 61 H GLU 7 H GLU 7 -22.894 0.849 4.029 62 HA GLU 7 HA GLU 7 -20.242 1.229 4.652 63 1HB GLU 7 1HB GLU 7 -22.738 0.911 6.185 64 2HB GLU 7 2HB GLU 7 -21.271 0.550 7.084 65 1HG GLU 7 1HG GLU 7 -20.406 2.796 6.268 66 2HG GLU 7 2HG GLU 7 -22.064 3.126 5.769 67 H ASN 8 H ASN 8 -22.029 -1.732 4.480 68 HA ASN 8 HA ASN 8 -20.332 -3.332 6.097 69 1HB ASN 8 1HB ASN 8 -22.037 -4.265 3.780 70 2HB ASN 8 2HB ASN 8 -21.482 -5.224 5.150 71 2HD2 ASN 8 2HD2 ASN 8 -23.964 -5.525 4.932 72 1HD2 ASN 8 1HD2 ASN 8 -24.910 -4.518 5.969 73 H GLU 9 H GLU 9 -20.652 -3.199 2.535 74 HA GLU 9 HA GLU 9 -18.223 -4.629 2.099 75 1HB GLU 9 1HB GLU 9 -19.561 -2.812 0.102 76 2HB GLU 9 2HB GLU 9 -18.575 -4.233 -0.215 77 1HG GLU 9 1HG GLU 9 -20.464 -5.366 -0.417 78 2HG GLU 9 2HG GLU 9 -20.657 -5.198 1.327 79 H ILE 10 H ILE 10 -18.805 -1.481 3.092 80 HA ILE 10 HA ILE 10 -16.494 -0.284 1.831 81 HB ILE 10 HB ILE 10 -18.633 0.736 3.696 82 1HG1 ILE 10 1HG1 ILE 10 -17.872 1.632 0.918 83 2HG1 ILE 10 2HG1 ILE 10 -19.112 0.427 1.253 84 1HG2 ILE 10 1HG2 ILE 10 -16.466 1.794 4.284 85 2HG2 ILE 10 2HG2 ILE 10 -16.357 2.390 2.627 86 3HG2 ILE 10 3HG2 ILE 10 -17.675 2.922 3.674 87 1HD1 ILE 10 1HD1 ILE 10 -19.307 3.072 2.591 88 2HD1 ILE 10 2HD1 ILE 10 -19.718 2.950 0.880 89 3HD1 ILE 10 3HD1 ILE 10 -20.580 1.970 2.067 90 H SER 11 H SER 11 -17.466 -1.711 4.850 91 HA SER 11 HA SER 11 -15.182 -0.734 6.318 92 1HB SER 11 1HB SER 11 -17.664 -1.806 7.023 93 2HB SER 11 2HB SER 11 -16.502 -3.046 7.494 94 HG SER 11 HG SER 11 -15.350 -1.039 8.404 95 H HIS 12 H HIS 12 -16.085 -3.534 4.462 96 HA HIS 12 HA HIS 12 -13.866 -5.126 5.358 97 1HB HIS 12 1HB HIS 12 -15.397 -6.645 4.683 98 2HB HIS 12 2HB HIS 12 -16.234 -5.482 3.670 99 HD1 HIS 12 HD1 HIS 12 -13.606 -8.145 3.560 100 HD2 HIS 12 HD2 HIS 12 -15.537 -5.532 0.975 101 HE1 HIS 12 HE1 HIS 12 -13.024 -8.942 1.246 102 HE2 HIS 12 HE2 HIS 12 -14.207 -7.347 -0.307 103 H HIS 13 H HIS 13 -14.666 -3.266 2.410 104 HA HIS 13 HA HIS 13 -12.176 -3.846 1.140 105 1HB HIS 13 1HB HIS 13 -14.119 -1.584 0.657 106 2HB HIS 13 2HB HIS 13 -12.753 -1.974 -0.376 107 HD1 HIS 13 HD1 HIS 13 -13.299 -5.132 -0.265 108 HD2 HIS 13 HD2 HIS 13 -15.997 -2.134 -1.233 109 HE1 HIS 13 HE1 HIS 13 -15.059 -6.250 -1.675 110 HE2 HIS 13 HE2 HIS 13 -16.692 -4.415 -2.250 111 H ALA 14 H ALA 14 -13.239 -1.546 3.504 112 HA ALA 14 HA ALA 14 -11.153 0.357 3.133 113 1HB ALA 14 1HB ALA 14 -13.056 -0.194 5.396 114 2HB ALA 14 2HB ALA 14 -11.825 1.065 5.484 115 3HB ALA 14 3HB ALA 14 -13.077 1.140 4.243 116 H LYS 15 H LYS 15 -11.612 -2.396 5.332 117 HA LYS 15 HA LYS 15 -9.143 -2.030 6.695 118 1HB LYS 15 1HB LYS 15 -11.124 -3.368 7.526 119 2HB LYS 15 2HB LYS 15 -10.665 -4.621 6.380 120 1HG LYS 15 1HG LYS 15 -8.803 -5.222 7.566 121 2HG LYS 15 2HG LYS 15 -8.623 -3.628 8.302 122 1HD LYS 15 1HD LYS 15 -10.743 -4.118 9.585 123 2HD LYS 15 2HD LYS 15 -10.611 -5.779 9.003 124 1HE LYS 15 1HE LYS 15 -8.247 -5.741 9.974 125 2HE LYS 15 2HE LYS 15 -8.746 -4.272 10.813 126 1HZ LYS 15 1HZ LYS 15 -10.675 -6.325 11.147 127 2HZ LYS 15 2HZ LYS 15 -9.150 -6.873 11.631 128 3HZ LYS 15 3HZ LYS 15 -9.807 -5.476 12.324 129 H GLU 16 H GLU 16 -10.097 -3.561 3.736 130 HA GLU 16 HA GLU 16 -7.803 -5.192 3.381 131 1HB GLU 16 1HB GLU 16 -10.173 -4.464 1.859 132 2HB GLU 16 2HB GLU 16 -8.747 -4.582 0.838 133 1HG GLU 16 1HG GLU 16 -10.105 -6.678 1.074 134 2HG GLU 16 2HG GLU 16 -8.384 -6.833 1.427 135 H ILE 17 H ILE 17 -8.680 -1.937 2.204 136 HA ILE 17 HA ILE 17 -6.302 -1.580 0.714 137 HB ILE 17 HB ILE 17 -6.988 0.580 0.282 138 1HG1 ILE 17 1HG1 ILE 17 -8.695 1.753 1.877 139 2HG1 ILE 17 2HG1 ILE 17 -8.122 0.589 3.067 140 1HG2 ILE 17 1HG2 ILE 17 -8.979 -1.375 0.362 141 2HG2 ILE 17 2HG2 ILE 17 -9.729 0.105 0.953 142 3HG2 ILE 17 3HG2 ILE 17 -8.936 0.086 -0.618 143 1HD1 ILE 17 1HD1 ILE 17 -5.812 1.651 1.955 144 2HD1 ILE 17 2HD1 ILE 17 -6.903 3.025 2.141 145 3HD1 ILE 17 3HD1 ILE 17 -6.503 2.022 3.535 146 H GLU 18 H GLU 18 -7.185 -0.800 4.043 147 HA GLU 18 HA GLU 18 -4.814 0.608 4.681 148 1HB GLU 18 1HB GLU 18 -7.124 0.357 5.953 149 2HB GLU 18 2HB GLU 18 -6.277 -0.953 6.764 150 1HG GLU 18 1HG GLU 18 -4.476 0.674 7.344 151 2HG GLU 18 2HG GLU 18 -5.503 1.950 6.692 152 H ARG 19 H ARG 19 -5.594 -2.755 4.431 153 HA ARG 19 HA ARG 19 -3.479 -3.768 6.032 154 1HB ARG 19 1HB ARG 19 -5.676 -4.854 4.799 155 2HB ARG 19 2HB ARG 19 -4.359 -5.471 3.811 156 1HG ARG 19 1HG ARG 19 -3.638 -6.858 5.415 157 2HG ARG 19 2HG ARG 19 -3.920 -5.684 6.702 158 1HD ARG 19 1HD ARG 19 -6.201 -6.247 6.857 159 2HD ARG 19 2HD ARG 19 -6.173 -7.112 5.320 160 HE ARG 19 HE ARG 19 -5.381 -8.122 7.900 161 1HH1 ARG 19 1HH1 ARG 19 -5.101 -8.488 4.449 162 2HH1 ARG 19 2HH1 ARG 19 -4.669 -10.164 4.531 163 1HH2 ARG 19 1HH2 ARG 19 -4.813 -10.327 8.020 164 2HH2 ARG 19 2HH2 ARG 19 -4.506 -11.210 6.562 165 H LEU 20 H LEU 20 -3.833 -3.322 2.508 166 HA LEU 20 HA LEU 20 -1.200 -4.245 1.933 167 1HB LEU 20 1HB LEU 20 -3.351 -2.862 0.393 168 2HB LEU 20 2HB LEU 20 -1.730 -2.914 -0.275 169 HG LEU 20 HG LEU 20 -3.322 -4.724 -1.047 170 1HD1 LEU 20 1HD1 LEU 20 -0.638 -4.729 -0.754 171 2HD1 LEU 20 2HD1 LEU 20 -1.070 -6.154 0.191 172 3HD1 LEU 20 3HD1 LEU 20 -1.554 -6.038 -1.501 173 1HD2 LEU 20 1HD2 LEU 20 -4.269 -5.104 1.246 174 2HD2 LEU 20 2HD2 LEU 20 -3.786 -6.565 0.384 175 3HD2 LEU 20 3HD2 LEU 20 -2.757 -5.913 1.660 176 H GLN 21 H GLN 21 -2.552 -1.205 2.881 177 HA GLN 21 HA GLN 21 -0.331 0.388 1.994 178 1HB GLN 21 1HB GLN 21 -2.474 1.462 2.178 179 2HB GLN 21 2HB GLN 21 -2.638 0.964 3.857 180 1HG GLN 21 1HG GLN 21 -1.298 2.614 4.625 181 2HG GLN 21 2HG GLN 21 -0.283 2.616 3.183 182 2HE2 GLN 21 2HE2 GLN 21 -3.636 3.324 4.118 183 1HE2 GLN 21 1HE2 GLN 21 -3.778 4.758 3.165 184 H LYS 22 H LYS 22 -1.230 -1.342 4.881 185 HA LYS 22 HA LYS 22 0.666 -0.118 6.617 186 1HB LYS 22 1HB LYS 22 -1.456 -1.707 7.051 187 2HB LYS 22 2HB LYS 22 -0.184 -2.919 7.117 188 1HG LYS 22 1HG LYS 22 0.759 -0.825 8.682 189 2HG LYS 22 2HG LYS 22 -0.956 -0.952 9.076 190 1HD LYS 22 1HD LYS 22 -0.127 -2.488 10.544 191 2HD LYS 22 2HD LYS 22 -0.369 -3.535 9.145 192 1HE LYS 22 1HE LYS 22 1.804 -3.987 9.044 193 2HE LYS 22 2HE LYS 22 2.200 -2.270 8.989 194 1HZ LYS 22 1HZ LYS 22 1.702 -2.469 11.544 195 2HZ LYS 22 2HZ LYS 22 2.119 -4.087 11.281 196 3HZ LYS 22 3HZ LYS 22 3.225 -2.861 10.915 197 H GLU 23 H GLU 23 0.655 -3.031 4.614 198 HA GLU 23 HA GLU 23 3.170 -4.012 5.433 199 1HB GLU 23 1HB GLU 23 1.216 -5.058 3.953 200 2HB GLU 23 2HB GLU 23 2.235 -4.480 2.641 201 1HG GLU 23 1HG GLU 23 3.462 -6.304 2.827 202 2HG GLU 23 2HG GLU 23 3.934 -5.800 4.450 203 H ILE 24 H ILE 24 2.213 -1.964 2.683 204 HA ILE 24 HA ILE 24 4.805 -1.699 1.598 205 HB ILE 24 HB ILE 24 2.804 -1.130 0.314 206 1HG1 ILE 24 1HG1 ILE 24 5.081 -0.059 -0.125 207 2HG1 ILE 24 2HG1 ILE 24 3.681 0.723 -0.846 208 1HG2 ILE 24 1HG2 ILE 24 1.526 -0.162 2.183 209 2HG2 ILE 24 2HG2 ILE 24 2.537 1.280 2.092 210 3HG2 ILE 24 3HG2 ILE 24 1.504 0.838 0.731 211 1HD1 ILE 24 1HD1 ILE 24 4.067 1.912 1.673 212 2HD1 ILE 24 2HD1 ILE 24 5.648 1.806 0.896 213 3HD1 ILE 24 3HD1 ILE 24 4.315 2.621 0.077 214 H GLU 25 H GLU 25 3.170 -0.150 4.238 215 HA GLU 25 HA GLU 25 4.774 2.156 4.470 216 1HB GLU 25 1HB GLU 25 2.604 1.833 5.633 217 2HB GLU 25 2HB GLU 25 3.364 0.635 6.671 218 1HG GLU 25 1HG GLU 25 4.677 2.232 7.753 219 2HG GLU 25 2HG GLU 25 4.411 3.435 6.492 220 H ARG 26 H ARG 26 5.001 -1.046 6.004 221 HA ARG 26 HA ARG 26 7.318 -0.497 7.516 222 1HB ARG 26 1HB ARG 26 5.760 -2.438 7.855 223 2HB ARG 26 2HB ARG 26 6.461 -3.182 6.425 224 1HG ARG 26 1HG ARG 26 8.708 -2.766 7.757 225 2HG ARG 26 2HG ARG 26 7.607 -2.818 9.135 226 1HD ARG 26 1HD ARG 26 6.885 -4.954 7.455 227 2HD ARG 26 2HD ARG 26 8.644 -4.976 7.555 228 HE ARG 26 HE ARG 26 7.697 -4.654 10.139 229 1HH1 ARG 26 1HH1 ARG 26 7.515 -7.031 7.601 230 2HH1 ARG 26 2HH1 ARG 26 7.365 -8.371 8.687 231 1HH2 ARG 26 1HH2 ARG 26 7.502 -6.412 11.581 232 2HH2 ARG 26 2HH2 ARG 26 7.357 -8.019 10.951 233 H HIS 27 H HIS 27 6.844 -1.786 4.258 234 HA HIS 27 HA HIS 27 9.601 -2.313 3.790 235 1HB HIS 27 1HB HIS 27 7.153 -2.769 2.451 236 2HB HIS 27 2HB HIS 27 8.159 -1.832 1.354 237 HD1 HIS 27 HD1 HIS 27 10.378 -2.943 0.542 238 HD2 HIS 27 HD2 HIS 27 7.973 -5.384 2.892 239 HE1 HIS 27 HE1 HIS 27 11.289 -5.268 0.245 240 HE2 HIS 27 HE2 HIS 27 9.819 -6.731 1.677 241 H LYS 28 H LYS 28 7.668 0.520 3.765 242 HA LYS 28 HA LYS 28 9.288 2.017 1.934 243 1HB LYS 28 1HB LYS 28 6.834 2.443 2.471 244 2HB LYS 28 2HB LYS 28 7.388 3.143 3.985 245 1HG LYS 28 1HG LYS 28 8.834 4.677 2.558 246 2HG LYS 28 2HG LYS 28 7.864 4.122 1.191 247 1HD LYS 28 1HD LYS 28 6.779 5.412 3.695 248 2HD LYS 28 2HD LYS 28 7.017 6.227 2.148 249 1HE LYS 28 1HE LYS 28 5.401 3.733 2.180 250 2HE LYS 28 2HE LYS 28 4.677 5.196 2.849 251 1HZ LYS 28 1HZ LYS 28 5.870 5.026 0.136 252 2HZ LYS 28 2HZ LYS 28 4.219 4.847 0.457 253 3HZ LYS 28 3HZ LYS 28 4.988 6.318 0.783 254 H GLN 29 H GLN 29 9.142 1.500 5.388 255 HA GLN 29 HA GLN 29 10.931 3.608 6.088 256 1HB GLN 29 1HB GLN 29 9.368 2.677 7.721 257 2HB GLN 29 2HB GLN 29 10.151 1.107 7.600 258 1HG GLN 29 1HG GLN 29 12.250 2.198 8.427 259 2HG GLN 29 2HG GLN 29 11.289 3.642 8.742 260 2HE2 GLN 29 2HE2 GLN 29 12.384 0.730 9.974 261 1HE2 GLN 29 1HE2 GLN 29 11.369 0.636 11.368 262 H SER 30 H SER 30 11.280 0.166 5.389 263 HA SER 30 HA SER 30 14.043 0.023 6.068 264 1HB SER 30 1HB SER 30 13.974 -2.181 5.297 265 2HB SER 30 2HB SER 30 12.302 -1.895 5.784 266 HG SER 30 HG SER 30 13.268 -2.526 3.362 267 H ILE 31 H ILE 31 12.299 0.474 3.015 268 HA ILE 31 HA ILE 31 14.650 0.545 1.398 269 HB ILE 31 HB ILE 31 12.531 -0.059 0.412 270 1HG1 ILE 31 1HG1 ILE 31 12.430 1.662 -1.470 271 2HG1 ILE 31 2HG1 ILE 31 13.700 2.529 -0.608 272 1HG2 ILE 31 1HG2 ILE 31 11.445 1.874 1.990 273 2HG2 ILE 31 2HG2 ILE 31 11.385 2.638 0.403 274 3HG2 ILE 31 3HG2 ILE 31 10.612 1.076 0.659 275 1HD1 ILE 31 1HD1 ILE 31 14.993 0.325 -0.710 276 2HD1 ILE 31 2HD1 ILE 31 13.808 -0.149 -1.925 277 3HD1 ILE 31 3HD1 ILE 31 14.828 1.264 -2.194 278 H LYS 32 H LYS 32 12.945 2.868 3.309 279 HA LYS 32 HA LYS 32 14.036 5.181 1.994 280 1HB LYS 32 1HB LYS 32 11.885 5.307 3.161 281 2HB LYS 32 2HB LYS 32 12.673 4.897 4.680 282 1HG LYS 32 1HG LYS 32 13.087 7.033 5.062 283 2HG LYS 32 2HG LYS 32 14.002 7.146 3.557 284 1HD LYS 32 1HD LYS 32 12.146 8.769 3.665 285 2HD LYS 32 2HD LYS 32 11.979 7.636 2.323 286 1HE LYS 32 1HE LYS 32 10.681 6.425 4.477 287 2HE LYS 32 2HE LYS 32 10.213 8.124 4.553 288 1HZ LYS 32 1HZ LYS 32 9.576 7.966 2.193 289 2HZ LYS 32 2HZ LYS 32 9.916 6.310 2.221 290 3HZ LYS 32 3HZ LYS 32 8.671 6.935 3.182 291 H LYS 33 H LYS 33 14.834 3.187 4.767 292 HA LYS 33 HA LYS 33 16.859 4.917 5.793 293 1HB LYS 33 1HB LYS 33 15.723 3.247 7.201 294 2HB LYS 33 2HB LYS 33 16.429 1.956 6.239 295 1HG LYS 33 1HG LYS 33 18.687 3.073 6.916 296 2HG LYS 33 2HG LYS 33 17.721 3.765 8.221 297 1HD LYS 33 1HD LYS 33 17.708 0.821 7.618 298 2HD LYS 33 2HD LYS 33 18.912 1.551 8.684 299 1HE LYS 33 1HE LYS 33 17.241 2.281 10.208 300 2HE LYS 33 2HE LYS 33 15.947 1.885 9.077 301 1HZ LYS 33 1HZ LYS 33 17.737 -0.263 9.951 302 2HZ LYS 33 2HZ LYS 33 16.563 0.288 11.035 303 3HZ LYS 33 3HZ LYS 33 16.101 -0.329 9.530 304 H LEU 34 H LEU 34 16.748 2.299 3.481 305 HA LEU 34 HA LEU 34 19.558 1.897 3.294 306 1HB LEU 34 1HB LEU 34 17.504 0.436 2.493 307 2HB LEU 34 2HB LEU 34 17.737 1.326 1.001 308 HG LEU 34 HG LEU 34 18.956 -0.630 0.669 309 1HD1 LEU 34 1HD1 LEU 34 20.245 1.595 0.409 310 2HD1 LEU 34 2HD1 LEU 34 21.154 1.042 1.816 311 3HD1 LEU 34 3HD1 LEU 34 21.135 0.074 0.342 312 1HD2 LEU 34 1HD2 LEU 34 19.054 -0.709 3.481 313 2HD2 LEU 34 2HD2 LEU 34 19.550 -1.958 2.339 314 3HD2 LEU 34 3HD2 LEU 34 20.722 -0.768 2.910 315 H LYS 35 H LYS 35 17.213 3.791 1.430 316 HA LYS 35 HA LYS 35 19.136 4.763 -0.441 317 1HB LYS 35 1HB LYS 35 16.792 4.673 -1.049 318 2HB LYS 35 2HB LYS 35 16.370 5.749 0.276 319 1HG LYS 35 1HG LYS 35 17.969 7.415 -0.900 320 2HG LYS 35 2HG LYS 35 17.735 6.374 -2.304 321 1HD LYS 35 1HD LYS 35 15.422 7.473 -0.734 322 2HD LYS 35 2HD LYS 35 16.170 8.377 -2.053 323 1HE LYS 35 1HE LYS 35 15.517 6.819 -3.654 324 2HE LYS 35 2HE LYS 35 15.263 5.552 -2.455 325 1HZ LYS 35 1HZ LYS 35 13.362 6.870 -1.615 326 2HZ LYS 35 2HZ LYS 35 13.566 7.944 -2.906 327 3HZ LYS 35 3HZ LYS 35 13.152 6.330 -3.203 328 H GLN 36 H GLN 36 18.074 5.736 2.708 329 HA GLN 36 HA GLN 36 19.069 8.421 2.548 330 1HB GLN 36 1HB GLN 36 17.246 7.470 4.122 331 2HB GLN 36 2HB GLN 36 18.594 6.928 5.112 332 1HG GLN 36 1HG GLN 36 19.399 9.307 5.131 333 2HG GLN 36 2HG GLN 36 17.866 9.749 4.379 334 2HE2 GLN 36 2HE2 GLN 36 17.974 11.051 6.479 335 1HE2 GLN 36 1HE2 GLN 36 17.197 10.338 7.847 336 H SER 37 H SER 37 20.353 5.313 3.430 337 HA SER 37 HA SER 37 22.633 6.270 4.845 338 1HB SER 37 1HB SER 37 21.490 3.740 4.214 339 2HB SER 37 2HB SER 37 23.167 3.720 3.672 340 HG SER 37 HG SER 37 23.834 3.853 5.685 341 H GLU 38 H GLU 38 21.859 5.815 1.501 342 HA GLU 38 HA GLU 38 24.569 5.804 0.560 343 1HB GLU 38 1HB GLU 38 22.889 4.734 -0.788 344 2HB GLU 38 2HB GLU 38 21.931 6.207 -0.852 345 1HG GLU 38 1HG GLU 38 24.625 6.598 -1.851 346 2HG GLU 38 2HG GLU 38 23.749 5.347 -2.732 347 H ASP 39 H ASP 39 22.211 8.216 1.345 348 HA ASP 39 HA ASP 39 24.075 10.297 0.411 349 1HB ASP 39 1HB ASP 39 21.409 9.889 -0.415 350 2HB ASP 39 2HB ASP 39 21.384 11.297 0.641 351 H ASP 40 H ASP 40 23.791 8.940 3.030 352 HA ASP 40 HA ASP 40 23.916 9.484 5.234 353 1HB ASP 40 1HB ASP 40 23.839 12.398 4.489 354 2HB ASP 40 2HB ASP 40 24.677 11.626 5.832 355 H ASP 41 H ASP 41 22.764 10.834 6.997 356 HA ASP 41 HA ASP 41 19.943 10.492 6.584 357 1HB ASP 41 1HB ASP 41 19.713 11.011 8.928 358 2HB ASP 41 2HB ASP 41 21.100 9.943 8.730 359 H1 ALA 1 H1 ALA 1 26.574 9.561 -7.708 360 H2 ALA 1 H2 ALA 1 24.889 9.329 -7.943 361 H3 ALA 1 H3 ALA 1 25.454 10.160 -6.553 362 HA ALA 1 HA ALA 1 24.993 8.140 -5.715 363 1HB ALA 1 1HB ALA 1 25.552 7.266 -8.458 364 2HB ALA 1 2HB ALA 1 24.366 6.674 -7.294 365 3HB ALA 1 3HB ALA 1 26.039 6.124 -7.205 366 H LEU 2 H LEU 2 26.454 6.342 -4.855 367 HA LEU 2 HA LEU 2 29.295 6.990 -5.006 368 1HB LEU 2 1HB LEU 2 27.904 6.788 -2.341 369 2HB LEU 2 2HB LEU 2 29.573 7.228 -2.646 370 HG LEU 2 HG LEU 2 28.250 9.166 -4.039 371 1HD1 LEU 2 1HD1 LEU 2 26.229 8.011 -2.603 372 2HD1 LEU 2 2HD1 LEU 2 26.727 9.340 -1.556 373 3HD1 LEU 2 3HD1 LEU 2 26.233 9.665 -3.218 374 1HD2 LEU 2 1HD2 LEU 2 30.142 9.343 -2.400 375 2HD2 LEU 2 2HD2 LEU 2 28.957 10.647 -2.318 376 3HD2 LEU 2 3HD2 LEU 2 28.936 9.359 -1.114 377 H LYS 3 H LYS 3 26.851 4.945 -3.421 378 HA LYS 3 HA LYS 3 28.741 2.702 -3.503 379 1HB LYS 3 1HB LYS 3 26.177 3.114 -1.961 380 2HB LYS 3 2HB LYS 3 27.059 1.593 -1.985 381 1HG LYS 3 1HG LYS 3 28.118 2.369 -0.191 382 2HG LYS 3 2HG LYS 3 29.006 3.402 -1.312 383 1HD LYS 3 1HD LYS 3 27.550 5.232 -0.916 384 2HD LYS 3 2HD LYS 3 26.386 4.212 -0.069 385 1HE LYS 3 1HE LYS 3 28.128 3.799 1.671 386 2HE LYS 3 2HE LYS 3 29.147 4.987 0.858 387 1HZ LYS 3 1HZ LYS 3 26.590 6.084 1.299 388 2HZ LYS 3 2HZ LYS 3 27.176 5.457 2.756 389 3HZ LYS 3 3HZ LYS 3 28.081 6.603 1.904 390 H LYS 4 H LYS 4 27.609 0.512 -3.864 391 HA LYS 4 HA LYS 4 25.717 0.771 -6.108 392 1HB LYS 4 1HB LYS 4 26.863 -1.479 -6.825 393 2HB LYS 4 2HB LYS 4 27.604 0.063 -7.226 394 1HG LYS 4 1HG LYS 4 28.949 -0.211 -5.081 395 2HG LYS 4 2HG LYS 4 28.393 -1.886 -5.088 396 1HD LYS 4 1HD LYS 4 30.527 -1.833 -6.154 397 2HD LYS 4 2HD LYS 4 29.313 -2.087 -7.411 398 1HE LYS 4 1HE LYS 4 30.282 -0.385 -8.482 399 2HE LYS 4 2HE LYS 4 29.510 0.653 -7.284 400 1HZ LYS 4 1HZ LYS 4 32.241 -0.494 -7.066 401 2HZ LYS 4 2HZ LYS 4 31.877 1.107 -7.470 402 3HZ LYS 4 3HZ LYS 4 31.503 0.516 -5.930 403 H HIS 5 H HIS 5 26.962 -1.513 -3.671 404 HA HIS 5 HA HIS 5 25.017 -3.454 -3.820 405 1HB HIS 5 1HB HIS 5 25.538 -3.967 -1.464 406 2HB HIS 5 2HB HIS 5 26.994 -3.688 -2.412 407 HD1 HIS 5 HD1 HIS 5 26.516 -3.306 0.780 408 HD2 HIS 5 HD2 HIS 5 26.910 -0.346 -2.110 409 HE1 HIS 5 HE1 HIS 5 27.287 -1.256 2.016 410 HE2 HIS 5 HE2 HIS 5 27.521 0.523 0.247 411 H HIS 6 H HIS 6 24.842 -0.289 -2.335 412 HA HIS 6 HA HIS 6 22.500 -0.675 -0.826 413 1HB HIS 6 1HB HIS 6 23.788 1.774 -2.023 414 2HB HIS 6 2HB HIS 6 22.278 1.874 -1.122 415 HD1 HIS 6 HD1 HIS 6 24.368 -0.671 0.348 416 HD2 HIS 6 HD2 HIS 6 24.092 3.467 0.604 417 HE1 HIS 6 HE1 HIS 6 25.583 -0.045 2.460 418 HE2 HIS 6 HE2 HIS 6 25.404 2.465 2.596 419 H GLU 7 H GLU 7 22.893 0.852 -4.027 420 HA GLU 7 HA GLU 7 20.242 1.232 -4.649 421 1HB GLU 7 1HB GLU 7 22.738 0.916 -6.183 422 2HB GLU 7 2HB GLU 7 21.271 0.558 -7.082 423 1HG GLU 7 1HG GLU 7 20.407 2.802 -6.263 424 2HG GLU 7 2HG GLU 7 22.065 3.130 -5.762 425 H ASN 8 H ASN 8 22.030 -1.729 -4.482 426 HA ASN 8 HA ASN 8 20.334 -3.327 -6.100 427 1HB ASN 8 1HB ASN 8 22.037 -4.263 -3.785 428 2HB ASN 8 2HB ASN 8 21.485 -5.219 -5.156 429 2HD2 ASN 8 2HD2 ASN 8 23.966 -5.521 -4.939 430 1HD2 ASN 8 1HD2 ASN 8 24.912 -4.512 -5.974 431 H GLU 9 H GLU 9 20.653 -3.199 -2.539 432 HA GLU 9 HA GLU 9 18.224 -4.630 -2.105 433 1HB GLU 9 1HB GLU 9 19.562 -2.814 -0.107 434 2HB GLU 9 2HB GLU 9 18.575 -4.234 0.210 435 1HG GLU 9 1HG GLU 9 20.465 -5.369 0.411 436 2HG GLU 9 2HG GLU 9 20.659 -5.198 -1.333 437 H ILE 10 H ILE 10 18.806 -1.481 -3.095 438 HA ILE 10 HA ILE 10 16.493 -0.286 -1.833 439 HB ILE 10 HB ILE 10 18.631 0.737 -3.698 440 1HG1 ILE 10 1HG1 ILE 10 17.871 1.629 -0.918 441 2HG1 ILE 10 2HG1 ILE 10 19.112 0.426 -1.255 442 1HG2 ILE 10 1HG2 ILE 10 16.464 1.793 -4.284 443 2HG2 ILE 10 2HG2 ILE 10 16.357 2.390 -2.627 444 3HG2 ILE 10 3HG2 ILE 10 17.674 2.922 -3.675 445 1HD1 ILE 10 1HD1 ILE 10 19.306 3.070 -2.592 446 2HD1 ILE 10 2HD1 ILE 10 19.713 2.951 -0.880 447 3HD1 ILE 10 3HD1 ILE 10 20.580 1.971 -2.063 448 H SER 11 H SER 11 17.465 -1.712 -4.854 449 HA SER 11 HA SER 11 15.181 -0.734 -6.321 450 1HB SER 11 1HB SER 11 17.617 -1.590 -7.129 451 2HB SER 11 2HB SER 11 16.690 -3.074 -7.346 452 HG SER 11 HG SER 11 15.638 -0.662 -8.312 453 H HIS 12 H HIS 12 16.085 -3.537 -4.468 454 HA HIS 12 HA HIS 12 13.864 -5.126 -5.362 455 1HB HIS 12 1HB HIS 12 15.394 -6.646 -4.689 456 2HB HIS 12 2HB HIS 12 16.232 -5.484 -3.676 457 HD1 HIS 12 HD1 HIS 12 13.606 -8.147 -3.568 458 HD2 HIS 12 HD2 HIS 12 15.536 -5.534 -0.980 459 HE1 HIS 12 HE1 HIS 12 13.025 -8.945 -1.253 460 HE2 HIS 12 HE2 HIS 12 14.206 -7.350 0.300 461 H HIS 13 H HIS 13 14.666 -3.267 -2.415 462 HA HIS 13 HA HIS 13 12.177 -3.848 -1.144 463 1HB HIS 13 1HB HIS 13 14.121 -1.586 -0.661 464 2HB HIS 13 2HB HIS 13 12.754 -1.975 0.371 465 HD1 HIS 13 HD1 HIS 13 13.299 -5.134 0.260 466 HD2 HIS 13 HD2 HIS 13 15.999 -2.138 1.229 467 HE1 HIS 13 HE1 HIS 13 15.060 -6.254 1.669 468 HE2 HIS 13 HE2 HIS 13 16.693 -4.420 2.244 469 H ALA 14 H ALA 14 13.240 -1.546 -3.507 470 HA ALA 14 HA ALA 14 11.152 0.356 -3.131 471 1HB ALA 14 1HB ALA 14 13.056 -0.191 -5.396 472 2HB ALA 14 2HB ALA 14 13.077 1.142 -4.241 473 3HB ALA 14 3HB ALA 14 11.825 1.069 -5.482 474 H LYS 15 H LYS 15 11.612 -2.395 -5.334 475 HA LYS 15 HA LYS 15 9.143 -2.025 -6.698 476 1HB LYS 15 1HB LYS 15 11.124 -3.364 -7.527 477 2HB LYS 15 2HB LYS 15 10.664 -4.618 -6.385 478 1HG LYS 15 1HG LYS 15 8.803 -5.217 -7.575 479 2HG LYS 15 2HG LYS 15 8.624 -3.621 -8.306 480 1HD LYS 15 1HD LYS 15 10.744 -4.106 -9.590 481 2HD LYS 15 2HD LYS 15 10.612 -5.769 -9.013 482 1HE LYS 15 1HE LYS 15 8.249 -5.729 -9.983 483 2HE LYS 15 2HE LYS 15 8.748 -4.259 -10.821 484 1HZ LYS 15 1HZ LYS 15 10.677 -6.310 -11.156 485 2HZ LYS 15 2HZ LYS 15 9.153 -6.859 -11.642 486 3HZ LYS 15 3HZ LYS 15 9.809 -5.460 -12.332 487 H GLU 16 H GLU 16 10.097 -3.561 -3.739 488 HA GLU 16 HA GLU 16 7.801 -5.192 -3.388 489 1HB GLU 16 1HB GLU 16 10.170 -4.464 -1.862 490 2HB GLU 16 2HB GLU 16 8.742 -4.586 -0.844 491 1HG GLU 16 1HG GLU 16 10.106 -6.680 -1.084 492 2HG GLU 16 2HG GLU 16 8.386 -6.836 -1.437 493 H ILE 17 H ILE 17 8.680 -1.940 -2.200 494 HA ILE 17 HA ILE 17 6.300 -1.582 -0.713 495 HB ILE 17 HB ILE 17 6.990 0.576 -0.279 496 1HG1 ILE 17 1HG1 ILE 17 8.698 1.749 -1.873 497 2HG1 ILE 17 2HG1 ILE 17 8.125 0.587 -3.064 498 1HG2 ILE 17 1HG2 ILE 17 8.961 -1.384 -0.338 499 2HG2 ILE 17 2HG2 ILE 17 9.731 0.070 -0.968 500 3HG2 ILE 17 3HG2 ILE 17 8.949 0.098 0.610 501 1HD1 ILE 17 1HD1 ILE 17 5.815 1.650 -1.952 502 2HD1 ILE 17 2HD1 ILE 17 6.908 3.022 -2.134 503 3HD1 ILE 17 3HD1 ILE 17 6.508 2.022 -3.530 504 H GLU 18 H GLU 18 7.186 -0.800 -4.042 505 HA GLU 18 HA GLU 18 4.816 0.611 -4.679 506 1HB GLU 18 1HB GLU 18 7.126 0.361 -5.951 507 2HB GLU 18 2HB GLU 18 6.279 -0.948 -6.764 508 1HG GLU 18 1HG GLU 18 4.479 0.680 -7.341 509 2HG GLU 18 2HG GLU 18 5.506 1.956 -6.688 510 H ARG 19 H ARG 19 5.594 -2.753 -4.433 511 HA ARG 19 HA ARG 19 3.478 -3.762 -6.036 512 1HB ARG 19 1HB ARG 19 5.676 -4.850 -4.804 513 2HB ARG 19 2HB ARG 19 4.358 -5.470 -3.819 514 1HG ARG 19 1HG ARG 19 3.637 -6.854 -5.426 515 2HG ARG 19 2HG ARG 19 3.921 -5.676 -6.710 516 1HD ARG 19 1HD ARG 19 6.201 -6.239 -6.865 517 2HD ARG 19 2HD ARG 19 6.174 -7.106 -5.331 518 HE ARG 19 HE ARG 19 5.382 -8.112 -7.912 519 1HH1 ARG 19 1HH1 ARG 19 5.101 -8.484 -4.461 520 2HH1 ARG 19 2HH1 ARG 19 4.671 -10.160 -4.546 521 1HH2 ARG 19 1HH2 ARG 19 4.815 -10.318 -8.036 522 2HH2 ARG 19 2HH2 ARG 19 4.509 -11.202 -6.579 523 H LEU 20 H LEU 20 3.833 -3.319 -2.512 524 HA LEU 20 HA LEU 20 1.200 -4.243 -1.938 525 1HB LEU 20 1HB LEU 20 3.351 -2.861 -0.397 526 2HB LEU 20 2HB LEU 20 1.731 -2.915 0.272 527 HG LEU 20 HG LEU 20 3.323 -4.725 1.042 528 1HD1 LEU 20 1HD1 LEU 20 0.639 -4.729 0.750 529 2HD1 LEU 20 2HD1 LEU 20 1.071 -6.154 -0.197 530 3HD1 LEU 20 3HD1 LEU 20 1.555 -6.040 1.495 531 1HD2 LEU 20 1HD2 LEU 20 4.270 -5.102 -1.252 532 2HD2 LEU 20 2HD2 LEU 20 3.786 -6.564 -0.391 533 3HD2 LEU 20 3HD2 LEU 20 2.758 -5.911 -1.666 534 H GLN 21 H GLN 21 2.552 -1.202 -2.883 535 HA GLN 21 HA GLN 21 0.331 0.390 -1.993 536 1HB GLN 21 1HB GLN 21 2.474 1.464 -2.178 537 2HB GLN 21 2HB GLN 21 2.639 0.968 -3.857 538 1HG GLN 21 1HG GLN 21 1.298 2.620 -4.622 539 2HG GLN 21 2HG GLN 21 0.284 2.619 -3.180 540 2HE2 GLN 21 2HE2 GLN 21 3.637 3.328 -4.112 541 1HE2 GLN 21 1HE2 GLN 21 3.778 4.761 -3.157 542 H LYS 22 H LYS 22 1.231 -1.337 -4.883 543 HA LYS 22 HA LYS 22 -0.666 -0.111 -6.616 544 1HB LYS 22 1HB LYS 22 1.456 -1.700 -7.052 545 2HB LYS 22 2HB LYS 22 0.183 -2.912 -7.121 546 1HG LYS 22 1HG LYS 22 -0.758 -0.815 -8.683 547 2HG LYS 22 2HG LYS 22 0.957 -0.941 -9.076 548 1HD LYS 22 1HD LYS 22 0.128 -2.474 -10.548 549 2HD LYS 22 2HD LYS 22 0.370 -3.524 -9.151 550 1HE LYS 22 1HE LYS 22 -1.803 -3.976 -9.050 551 2HE LYS 22 2HE LYS 22 -2.200 -2.260 -8.992 552 1HZ LYS 22 1HZ LYS 22 -1.701 -2.455 -11.548 553 2HZ LYS 22 2HZ LYS 22 -2.116 -4.073 -11.288 554 3HZ LYS 22 3HZ LYS 22 -3.222 -2.847 -10.920 555 H GLU 23 H GLU 23 -0.655 -3.026 -4.617 556 HA GLU 23 HA GLU 23 -3.169 -4.007 -5.437 557 1HB GLU 23 1HB GLU 23 -1.214 -5.055 -3.959 558 2HB GLU 23 2HB GLU 23 -2.233 -4.478 -2.646 559 1HG GLU 23 1HG GLU 23 -3.459 -6.303 -2.835 560 2HG GLU 23 2HG GLU 23 -3.932 -5.796 -4.456 561 H ILE 24 H ILE 24 -2.212 -1.961 -2.685 562 HA ILE 24 HA ILE 24 -4.803 -1.699 -1.599 563 HB ILE 24 HB ILE 24 -2.803 -1.130 -0.315 564 1HG1 ILE 24 1HG1 ILE 24 -5.081 -0.059 0.125 565 2HG1 ILE 24 2HG1 ILE 24 -3.680 0.722 0.846 566 1HG2 ILE 24 1HG2 ILE 24 -1.525 -0.161 -2.184 567 2HG2 ILE 24 2HG2 ILE 24 -2.536 1.281 -2.091 568 3HG2 ILE 24 3HG2 ILE 24 -1.503 0.837 -0.731 569 1HD1 ILE 24 1HD1 ILE 24 -4.066 1.914 -1.672 570 2HD1 ILE 24 2HD1 ILE 24 -5.646 1.808 -0.895 571 3HD1 ILE 24 3HD1 ILE 24 -4.313 2.622 -0.075 572 H GLU 25 H GLU 25 -3.171 -0.147 -4.239 573 HA GLU 25 HA GLU 25 -4.777 2.158 -4.466 574 1HB GLU 25 1HB GLU 25 -2.605 1.837 -5.630 575 2HB GLU 25 2HB GLU 25 -3.366 0.642 -6.670 576 1HG GLU 25 1HG GLU 25 -4.680 2.241 -7.749 577 2HG GLU 25 2HG GLU 25 -4.412 3.441 -6.485 578 H ARG 26 H ARG 26 -5.002 -1.042 -6.000 579 HA ARG 26 HA ARG 26 -7.318 -0.494 -7.514 580 1HB ARG 26 1HB ARG 26 -5.756 -2.434 -7.849 581 2HB ARG 26 2HB ARG 26 -6.464 -3.181 -6.423 582 1HG ARG 26 1HG ARG 26 -8.706 -2.761 -7.762 583 2HG ARG 26 2HG ARG 26 -7.599 -2.809 -9.137 584 1HD ARG 26 1HD ARG 26 -6.882 -4.951 -7.462 585 2HD ARG 26 2HD ARG 26 -8.642 -4.971 -7.563 586 HE ARG 26 HE ARG 26 -7.695 -4.644 -10.147 587 1HH1 ARG 26 1HH1 ARG 26 -7.512 -7.026 -7.613 588 2HH1 ARG 26 2HH1 ARG 26 -7.364 -8.364 -8.703 589 1HH2 ARG 26 1HH2 ARG 26 -7.500 -6.398 -11.591 590 2HH2 ARG 26 2HH2 ARG 26 -7.356 -8.007 -10.966 591 H HIS 27 H HIS 27 -6.846 -1.785 -4.254 592 HA HIS 27 HA HIS 27 -9.605 -2.312 -3.791 593 1HB HIS 27 1HB HIS 27 -7.158 -2.761 -2.440 594 2HB HIS 27 2HB HIS 27 -8.176 -1.830 -1.349 595 HD1 HIS 27 HD1 HIS 27 -10.387 -2.952 -0.544 596 HD2 HIS 27 HD2 HIS 27 -7.970 -5.380 -2.894 597 HE1 HIS 27 HE1 HIS 27 -11.290 -5.281 -0.254 598 HE2 HIS 27 HE2 HIS 27 -9.812 -6.735 -1.686 599 H LYS 28 H LYS 28 -7.668 0.520 -3.762 600 HA LYS 28 HA LYS 28 -9.288 2.020 -1.935 601 1HB LYS 28 1HB LYS 28 -6.832 2.442 -2.477 602 2HB LYS 28 2HB LYS 28 -7.390 3.146 -3.988 603 1HG LYS 28 1HG LYS 28 -8.831 4.678 -2.554 604 2HG LYS 28 2HG LYS 28 -7.860 4.118 -1.190 605 1HD LYS 28 1HD LYS 28 -6.773 5.412 -3.690 606 2HD LYS 28 2HD LYS 28 -7.013 6.225 -2.143 607 1HE LYS 28 1HE LYS 28 -5.399 3.731 -2.174 608 2HE LYS 28 2HE LYS 28 -4.673 5.192 -2.842 609 1HZ LYS 28 1HZ LYS 28 -5.870 5.022 -0.131 610 2HZ LYS 28 2HZ LYS 28 -4.218 4.844 -0.450 611 3HZ LYS 28 3HZ LYS 28 -4.988 6.315 -0.775 612 H GLN 29 H GLN 29 -9.145 1.501 -5.389 613 HA GLN 29 HA GLN 29 -10.932 3.610 -6.087 614 1HB GLN 29 1HB GLN 29 -9.368 2.677 -7.720 615 2HB GLN 29 2HB GLN 29 -10.157 1.109 -7.602 616 1HG GLN 29 1HG GLN 29 -12.251 2.207 -8.429 617 2HG GLN 29 2HG GLN 29 -11.287 3.650 -8.739 618 2HE2 GLN 29 2HE2 GLN 29 -12.383 0.739 -9.977 619 1HE2 GLN 29 1HE2 GLN 29 -11.368 0.649 -11.372 620 H SER 30 H SER 30 -11.282 0.168 -5.390 621 HA SER 30 HA SER 30 -14.045 0.028 -6.069 622 1HB SER 30 1HB SER 30 -13.977 -2.178 -5.300 623 2HB SER 30 2HB SER 30 -12.307 -1.892 -5.789 624 HG SER 30 HG SER 30 -13.269 -2.526 -3.367 625 H ILE 31 H ILE 31 -12.299 0.482 -3.017 626 HA ILE 31 HA ILE 31 -14.649 0.547 -1.398 627 HB ILE 31 HB ILE 31 -12.529 -0.058 -0.413 628 1HG1 ILE 31 1HG1 ILE 31 -12.427 1.661 1.470 629 2HG1 ILE 31 2HG1 ILE 31 -13.697 2.531 0.609 630 1HG2 ILE 31 1HG2 ILE 31 -11.445 1.880 -1.990 631 2HG2 ILE 31 2HG2 ILE 31 -11.380 2.637 -0.399 632 3HG2 ILE 31 3HG2 ILE 31 -10.609 1.075 -0.663 633 1HD1 ILE 31 1HD1 ILE 31 -14.992 0.326 0.708 634 2HD1 ILE 31 2HD1 ILE 31 -13.807 -0.148 1.924 635 3HD1 ILE 31 3HD1 ILE 31 -14.828 1.265 2.192 636 H LYS 32 H LYS 32 -12.944 2.872 -3.307 637 HA LYS 32 HA LYS 32 -14.036 5.183 -1.991 638 1HB LYS 32 1HB LYS 32 -11.884 5.309 -3.158 639 2HB LYS 32 2HB LYS 32 -12.674 4.904 -4.677 640 1HG LYS 32 1HG LYS 32 -13.085 7.041 -5.053 641 2HG LYS 32 2HG LYS 32 -14.001 7.151 -3.548 642 1HD LYS 32 1HD LYS 32 -12.144 8.773 -3.652 643 2HD LYS 32 2HD LYS 32 -11.977 7.638 -2.312 644 1HE LYS 32 1HE LYS 32 -10.680 6.429 -4.468 645 2HE LYS 32 2HE LYS 32 -10.211 8.128 -4.542 646 1HZ LYS 32 1HZ LYS 32 -9.576 7.966 -2.181 647 2HZ LYS 32 2HZ LYS 32 -9.916 6.309 -2.213 648 3HZ LYS 32 3HZ LYS 32 -8.671 6.937 -3.172 649 H LYS 33 H LYS 33 -14.833 3.191 -4.765 650 HA LYS 33 HA LYS 33 -16.860 4.923 -5.789 651 1HB LYS 33 1HB LYS 33 -15.722 3.254 -7.198 652 2HB LYS 33 2HB LYS 33 -16.428 1.962 -6.237 653 1HG LYS 33 1HG LYS 33 -18.686 3.080 -6.914 654 2HG LYS 33 2HG LYS 33 -17.720 3.773 -8.219 655 1HD LYS 33 1HD LYS 33 -17.708 0.828 -7.619 656 2HD LYS 33 2HD LYS 33 -18.911 1.560 -8.683 657 1HE LYS 33 1HE LYS 33 -17.240 2.292 -10.206 658 2HE LYS 33 2HE LYS 33 -15.945 1.895 -9.076 659 1HZ LYS 33 1HZ LYS 33 -17.735 -0.253 -9.953 660 2HZ LYS 33 2HZ LYS 33 -16.561 0.300 -11.038 661 3HZ LYS 33 3HZ LYS 33 -16.099 -0.319 -9.532 662 H LEU 34 H LEU 34 -16.746 2.300 -3.481 663 HA LEU 34 HA LEU 34 -19.557 1.898 -3.293 664 1HB LEU 34 1HB LEU 34 -17.503 0.436 -2.494 665 2HB LEU 34 2HB LEU 34 -17.737 1.325 -1.002 666 HG LEU 34 HG LEU 34 -18.954 -0.633 -0.672 667 1HD1 LEU 34 1HD1 LEU 34 -20.245 1.591 -0.410 668 2HD1 LEU 34 2HD1 LEU 34 -21.152 1.039 -1.817 669 3HD1 LEU 34 3HD1 LEU 34 -21.134 0.071 -0.345 670 1HD2 LEU 34 1HD2 LEU 34 -19.051 -0.708 -3.484 671 2HD2 LEU 34 2HD2 LEU 34 -19.548 -1.959 -2.343 672 3HD2 LEU 34 3HD2 LEU 34 -20.719 -0.769 -2.913 673 H LYS 35 H LYS 35 -17.211 3.790 -1.428 674 HA LYS 35 HA LYS 35 -19.135 4.759 0.446 675 1HB LYS 35 1HB LYS 35 -16.790 4.668 1.053 676 2HB LYS 35 2HB LYS 35 -16.369 5.748 -0.270 677 1HG LYS 35 1HG LYS 35 -17.969 7.410 0.909 678 2HG LYS 35 2HG LYS 35 -17.735 6.366 2.312 679 1HD LYS 35 1HD LYS 35 -15.421 7.469 0.744 680 2HD LYS 35 2HD LYS 35 -16.170 8.370 2.064 681 1HE LYS 35 1HE LYS 35 -15.517 6.809 3.663 682 2HE LYS 35 2HE LYS 35 -15.263 5.544 2.461 683 1HZ LYS 35 1HZ LYS 35 -13.362 6.864 1.624 684 2HZ LYS 35 2HZ LYS 35 -13.565 7.935 2.917 685 3HZ LYS 35 3HZ LYS 35 -13.152 6.321 3.212 686 H GLN 36 H GLN 36 -18.074 5.737 -2.703 687 HA GLN 36 HA GLN 36 -19.069 8.422 -2.537 688 1HB GLN 36 1HB GLN 36 -17.246 7.474 -4.113 689 2HB GLN 36 2HB GLN 36 -18.594 6.932 -5.104 690 1HG GLN 36 1HG GLN 36 -19.399 9.311 -5.120 691 2HG GLN 36 2HG GLN 36 -17.867 9.753 -4.368 692 2HE2 GLN 36 2HE2 GLN 36 -17.973 11.059 -6.464 693 1HE2 GLN 36 1HE2 GLN 36 -17.197 10.347 -7.834 694 H SER 37 H SER 37 -20.352 5.314 -3.423 695 HA SER 37 HA SER 37 -22.632 6.273 -4.838 696 1HB SER 37 1HB SER 37 -21.489 3.742 -4.211 697 2HB SER 37 2HB SER 37 -23.167 3.721 -3.669 698 HG SER 37 HG SER 37 -23.833 3.857 -5.681 699 H GLU 38 H GLU 38 -21.859 5.813 -1.493 700 HA GLU 38 HA GLU 38 -24.569 5.801 -0.554 701 1HB GLU 38 1HB GLU 38 -22.889 4.729 0.793 702 2HB GLU 38 2HB GLU 38 -21.931 6.201 0.860 703 1HG GLU 38 1HG GLU 38 -24.625 6.591 1.859 704 2HG GLU 38 2HG GLU 38 -23.750 5.339 2.739 705 H ASP 39 H ASP 39 -22.211 8.214 -1.336 706 HA ASP 39 HA ASP 39 -24.075 10.293 -0.397 707 1HB ASP 39 1HB ASP 39 -21.410 9.883 0.428 708 2HB ASP 39 2HB ASP 39 -21.384 11.295 -0.626 709 H ASP 40 H ASP 40 -23.791 8.940 -3.018 710 HA ASP 40 HA ASP 40 -23.916 9.488 -5.222 711 1HB ASP 40 1HB ASP 40 -23.839 12.400 -4.472 712 2HB ASP 40 2HB ASP 40 -24.677 11.631 -5.817 713 H ASP 41 H ASP 41 -22.763 10.840 -6.982 714 HA ASP 41 HA ASP 41 -19.941 10.497 -6.570 715 1HB ASP 41 1HB ASP 41 -19.713 11.021 -8.913 716 2HB ASP 41 2HB ASP 41 -21.099 9.953 -8.718 No H/Q in entry = 716 Start of MODEL 31 1 H1 ALA 1 H1 ALA 1 -35.825 -1.083 0.763 2 H2 ALA 1 H2 ALA 1 -34.913 -1.317 -0.671 3 H3 ALA 1 H3 ALA 1 -36.360 -2.204 -0.418 4 HA ALA 1 HA ALA 1 -35.415 -3.362 1.381 5 1HB ALA 1 1HB ALA 1 -33.956 -3.315 -1.224 6 2HB ALA 1 2HB ALA 1 -35.030 -4.545 -0.558 7 3HB ALA 1 3HB ALA 1 -33.395 -4.365 0.077 8 H LEU 2 H LEU 2 -33.403 -3.964 2.523 9 HA LEU 2 HA LEU 2 -31.746 -1.580 3.025 10 1HB LEU 2 1HB LEU 2 -33.329 -2.934 4.804 11 2HB LEU 2 2HB LEU 2 -31.764 -3.675 5.080 12 HG LEU 2 HG LEU 2 -30.815 -1.387 5.441 13 1HD1 LEU 2 1HD1 LEU 2 -33.142 -0.516 4.292 14 2HD1 LEU 2 2HD1 LEU 2 -33.426 -0.213 6.006 15 3HD1 LEU 2 3HD1 LEU 2 -32.015 0.483 5.208 16 1HD2 LEU 2 1HD2 LEU 2 -32.535 -2.927 7.152 17 2HD2 LEU 2 2HD2 LEU 2 -31.073 -2.024 7.551 18 3HD2 LEU 2 3HD2 LEU 2 -32.639 -1.214 7.556 19 H LYS 3 H LYS 3 -29.662 -1.721 2.537 20 HA LYS 3 HA LYS 3 -28.540 -4.332 1.869 21 1HB LYS 3 1HB LYS 3 -28.073 -1.571 1.024 22 2HB LYS 3 2HB LYS 3 -26.586 -2.460 1.329 23 1HG LYS 3 1HG LYS 3 -27.047 -2.765 -0.948 24 2HG LYS 3 2HG LYS 3 -27.527 -4.274 -0.168 25 1HD LYS 3 1HD LYS 3 -29.843 -2.878 -0.038 26 2HD LYS 3 2HD LYS 3 -29.161 -2.242 -1.535 27 1HE LYS 3 1HE LYS 3 -30.314 -4.056 -2.333 28 2HE LYS 3 2HE LYS 3 -28.729 -4.775 -2.051 29 1HZ LYS 3 1HZ LYS 3 -29.776 -5.251 0.287 30 2HZ LYS 3 2HZ LYS 3 -31.229 -5.148 -0.572 31 3HZ LYS 3 3HZ LYS 3 -30.062 -6.287 -1.020 32 H LYS 4 H LYS 4 -27.553 -5.407 3.439 33 HA LYS 4 HA LYS 4 -26.069 -3.884 5.476 34 1HB LYS 4 1HB LYS 4 -28.070 -5.721 5.860 35 2HB LYS 4 2HB LYS 4 -26.628 -6.708 6.047 36 1HG LYS 4 1HG LYS 4 -25.827 -4.877 7.657 37 2HG LYS 4 2HG LYS 4 -27.511 -4.349 7.662 38 1HD LYS 4 1HD LYS 4 -28.159 -6.671 8.311 39 2HD LYS 4 2HD LYS 4 -26.444 -7.050 8.471 40 1HE LYS 4 1HE LYS 4 -26.414 -4.966 10.036 41 2HE LYS 4 2HE LYS 4 -28.153 -5.246 10.131 42 1HZ LYS 4 1HZ LYS 4 -26.135 -7.341 10.709 43 2HZ LYS 4 2HZ LYS 4 -26.805 -6.342 11.900 44 3HZ LYS 4 3HZ LYS 4 -27.796 -7.395 11.023 45 H HIS 5 H HIS 5 -25.995 -6.918 3.619 46 HA HIS 5 HA HIS 5 -23.391 -7.684 4.287 47 1HB HIS 5 1HB HIS 5 -23.507 -8.920 2.032 48 2HB HIS 5 2HB HIS 5 -24.709 -9.330 3.251 49 HD1 HIS 5 HD1 HIS 5 -27.132 -8.977 2.653 50 HD2 HIS 5 HD2 HIS 5 -24.527 -7.317 -0.127 51 HE1 HIS 5 HE1 HIS 5 -28.573 -8.280 0.714 52 HE2 HIS 5 HE2 HIS 5 -26.976 -7.277 -0.957 53 H HIS 6 H HIS 6 -24.572 -5.338 2.007 54 HA HIS 6 HA HIS 6 -22.198 -5.102 0.463 55 1HB HIS 6 1HB HIS 6 -24.800 -3.897 0.523 56 2HB HIS 6 2HB HIS 6 -23.581 -2.629 0.437 57 HD1 HIS 6 HD1 HIS 6 -22.984 -5.926 -1.225 58 HD2 HIS 6 HD2 HIS 6 -24.178 -2.077 -2.241 59 HE1 HIS 6 HE1 HIS 6 -22.896 -5.836 -3.737 60 HE2 HIS 6 HE2 HIS 6 -23.623 -3.497 -4.330 61 H GLU 7 H GLU 7 -23.463 -3.354 3.274 62 HA GLU 7 HA GLU 7 -21.389 -1.436 3.392 63 1HB GLU 7 1HB GLU 7 -23.256 -2.480 5.527 64 2HB GLU 7 2HB GLU 7 -22.158 -1.128 5.765 65 1HG GLU 7 1HG GLU 7 -23.852 -0.872 3.401 66 2HG GLU 7 2HG GLU 7 -24.742 -0.944 4.920 67 H ASN 8 H ASN 8 -21.687 -4.705 4.565 68 HA ASN 8 HA ASN 8 -19.501 -4.627 6.378 69 1HB ASN 8 1HB ASN 8 -21.436 -6.389 6.088 70 2HB ASN 8 2HB ASN 8 -20.302 -7.148 4.974 71 2HD2 ASN 8 2HD2 ASN 8 -19.886 -8.934 6.181 72 1HD2 ASN 8 1HD2 ASN 8 -19.064 -8.893 7.700 73 H GLU 9 H GLU 9 -19.845 -5.666 3.006 74 HA GLU 9 HA GLU 9 -17.214 -6.537 2.613 75 1HB GLU 9 1HB GLU 9 -19.492 -6.389 1.068 76 2HB GLU 9 2HB GLU 9 -18.420 -5.237 0.282 77 1HG GLU 9 1HG GLU 9 -17.009 -6.835 -0.449 78 2HG GLU 9 2HG GLU 9 -17.241 -7.847 0.976 79 H ILE 10 H ILE 10 -18.679 -3.331 2.152 80 HA ILE 10 HA ILE 10 -16.262 -2.154 1.225 81 HB ILE 10 HB ILE 10 -17.335 -0.033 1.397 82 1HG1 ILE 10 1HG1 ILE 10 -19.471 -1.417 3.033 83 2HG1 ILE 10 2HG1 ILE 10 -18.304 -0.240 3.634 84 1HG2 ILE 10 1HG2 ILE 10 -18.061 -1.493 -0.419 85 2HG2 ILE 10 2HG2 ILE 10 -19.366 -2.107 0.595 86 3HG2 ILE 10 3HG2 ILE 10 -19.355 -0.414 0.102 87 1HD1 ILE 10 1HD1 ILE 10 -19.645 0.917 1.425 88 2HD1 ILE 10 2HD1 ILE 10 -20.857 0.216 2.501 89 3HD1 ILE 10 3HD1 ILE 10 -19.700 1.393 3.124 90 H SER 11 H SER 11 -17.480 -2.956 4.345 91 HA SER 11 HA SER 11 -16.015 -1.056 5.856 92 1HB SER 11 1HB SER 11 -17.928 -2.685 6.603 93 2HB SER 11 2HB SER 11 -16.607 -3.818 6.884 94 HG SER 11 HG SER 11 -16.873 -1.229 8.020 95 H HIS 12 H HIS 12 -15.324 -4.284 4.619 96 HA HIS 12 HA HIS 12 -12.751 -4.462 5.846 97 1HB HIS 12 1HB HIS 12 -13.286 -6.601 5.371 98 2HB HIS 12 2HB HIS 12 -14.461 -6.121 4.159 99 HD1 HIS 12 HD1 HIS 12 -10.909 -7.218 4.559 100 HD2 HIS 12 HD2 HIS 12 -13.544 -6.179 1.521 101 HE1 HIS 12 HE1 HIS 12 -9.786 -7.934 2.424 102 HE2 HIS 12 HE2 HIS 12 -11.400 -7.296 0.596 103 H HIS 13 H HIS 13 -13.987 -3.257 2.784 104 HA HIS 13 HA HIS 13 -11.495 -3.048 1.456 105 1HB HIS 13 1HB HIS 13 -13.965 -1.359 1.045 106 2HB HIS 13 2HB HIS 13 -12.626 -1.536 -0.081 107 HD1 HIS 13 HD1 HIS 13 -12.535 -4.753 0.398 108 HD2 HIS 13 HD2 HIS 13 -15.758 -2.413 -0.759 109 HE1 HIS 13 HE1 HIS 13 -14.097 -6.318 -0.807 110 HE2 HIS 13 HE2 HIS 13 -16.048 -4.880 -1.502 111 H ALA 14 H ALA 14 -13.190 -0.993 3.730 112 HA ALA 14 HA ALA 14 -11.617 1.338 3.287 113 1HB ALA 14 1HB ALA 14 -12.529 1.432 5.928 114 2HB ALA 14 2HB ALA 14 -13.764 0.535 5.044 115 3HB ALA 14 3HB ALA 14 -13.295 2.150 4.511 116 H LYS 15 H LYS 15 -11.562 -1.161 5.831 117 HA LYS 15 HA LYS 15 -9.187 -0.196 7.040 118 1HB LYS 15 1HB LYS 15 -10.932 -2.540 7.304 119 2HB LYS 15 2HB LYS 15 -9.242 -2.881 7.647 120 1HG LYS 15 1HG LYS 15 -10.222 -0.439 8.911 121 2HG LYS 15 2HG LYS 15 -11.059 -1.903 9.433 122 1HD LYS 15 1HD LYS 15 -8.971 -2.932 10.056 123 2HD LYS 15 2HD LYS 15 -8.061 -1.573 9.393 124 1HE LYS 15 1HE LYS 15 -8.655 -0.160 11.120 125 2HE LYS 15 2HE LYS 15 -10.102 -1.085 11.516 126 1HZ LYS 15 1HZ LYS 15 -8.019 -2.813 11.947 127 2HZ LYS 15 2HZ LYS 15 -7.463 -1.336 12.556 128 3HZ LYS 15 3HZ LYS 15 -8.909 -1.997 13.131 129 H GLU 16 H GLU 16 -9.752 -1.860 4.124 130 HA GLU 16 HA GLU 16 -7.196 -3.187 4.019 131 1HB GLU 16 1HB GLU 16 -9.298 -4.041 2.908 132 2HB GLU 16 2HB GLU 16 -9.134 -2.727 1.751 133 1HG GLU 16 1HG GLU 16 -8.249 -4.979 1.039 134 2HG GLU 16 2HG GLU 16 -7.151 -3.610 0.863 135 H ILE 17 H ILE 17 -8.672 -0.241 2.707 136 HA ILE 17 HA ILE 17 -6.422 0.389 1.050 137 HB ILE 17 HB ILE 17 -7.534 2.334 0.441 138 1HG1 ILE 17 1HG1 ILE 17 -9.565 3.118 1.952 139 2HG1 ILE 17 2HG1 ILE 17 -8.661 2.292 3.218 140 1HG2 ILE 17 1HG2 ILE 17 -8.999 -0.024 0.627 141 2HG2 ILE 17 2HG2 ILE 17 -10.108 1.259 1.107 142 3HG2 ILE 17 3HG2 ILE 17 -9.285 1.341 -0.449 143 1HD1 ILE 17 1HD1 ILE 17 -6.712 3.792 2.096 144 2HD1 ILE 17 2HD1 ILE 17 -8.121 4.828 1.857 145 3HD1 ILE 17 3HD1 ILE 17 -7.688 4.287 3.479 146 H GLU 18 H GLU 18 -7.441 1.242 4.313 147 HA GLU 18 HA GLU 18 -5.359 3.170 4.713 148 1HB GLU 18 1HB GLU 18 -7.702 2.533 6.020 149 2HB GLU 18 2HB GLU 18 -6.471 1.933 7.123 150 1HG GLU 18 1HG GLU 18 -5.453 4.100 7.258 151 2HG GLU 18 2HG GLU 18 -6.533 4.728 6.014 152 H ARG 19 H ARG 19 -5.796 -0.256 5.357 153 HA ARG 19 HA ARG 19 -3.452 -0.556 6.947 154 1HB ARG 19 1HB ARG 19 -5.307 -2.452 5.545 155 2HB ARG 19 2HB ARG 19 -3.799 -3.041 6.232 156 1HG ARG 19 1HG ARG 19 -5.410 -1.377 8.034 157 2HG ARG 19 2HG ARG 19 -6.148 -2.910 7.563 158 1HD ARG 19 1HD ARG 19 -3.306 -3.043 8.323 159 2HD ARG 19 2HD ARG 19 -4.421 -2.625 9.622 160 HE ARG 19 HE ARG 19 -4.051 -5.182 8.494 161 1HH1 ARG 19 1HH1 ARG 19 -6.563 -3.059 9.639 162 2HH1 ARG 19 2HH1 ARG 19 -7.632 -4.348 10.079 163 1HH2 ARG 19 1HH2 ARG 19 -5.451 -6.888 9.070 164 2HH2 ARG 19 2HH2 ARG 19 -6.999 -6.526 9.756 165 H LEU 20 H LEU 20 -4.148 -0.710 3.515 166 HA LEU 20 HA LEU 20 -1.682 -1.907 2.756 167 1HB LEU 20 1HB LEU 20 -3.729 -0.297 1.241 168 2HB LEU 20 2HB LEU 20 -2.285 -0.941 0.484 169 HG LEU 20 HG LEU 20 -4.124 -2.786 1.953 170 1HD1 LEU 20 1HD1 LEU 20 -5.497 -1.401 0.400 171 2HD1 LEU 20 2HD1 LEU 20 -4.493 -1.986 -0.926 172 3HD1 LEU 20 3HD1 LEU 20 -5.469 -3.120 0.009 173 1HD2 LEU 20 1HD2 LEU 20 -1.764 -3.022 0.403 174 2HD2 LEU 20 2HD2 LEU 20 -2.717 -4.302 1.154 175 3HD2 LEU 20 3HD2 LEU 20 -3.078 -3.785 -0.493 176 H GLN 21 H GLN 21 -2.826 1.407 3.123 177 HA GLN 21 HA GLN 21 -0.601 2.704 1.997 178 1HB GLN 21 1HB GLN 21 -2.948 3.450 3.525 179 2HB GLN 21 2HB GLN 21 -1.542 4.380 4.027 180 1HG GLN 21 1HG GLN 21 -2.097 4.097 1.122 181 2HG GLN 21 2HG GLN 21 -3.100 5.186 2.076 182 2HE2 GLN 21 2HE2 GLN 21 0.266 4.604 2.828 183 1HE2 GLN 21 1HE2 GLN 21 0.835 6.165 2.367 184 H LYS 22 H LYS 22 -1.298 1.746 5.350 185 HA LYS 22 HA LYS 22 1.039 2.851 6.474 186 1HB LYS 22 1HB LYS 22 0.602 1.302 8.368 187 2HB LYS 22 2HB LYS 22 -0.810 2.235 7.893 188 1HG LYS 22 1HG LYS 22 -1.744 0.343 6.748 189 2HG LYS 22 2HG LYS 22 -0.282 -0.602 7.039 190 1HD LYS 22 1HD LYS 22 -1.259 0.430 9.523 191 2HD LYS 22 2HD LYS 22 -2.570 -0.391 8.675 192 1HE LYS 22 1HE LYS 22 -1.492 -2.428 8.703 193 2HE LYS 22 2HE LYS 22 0.106 -1.698 8.842 194 1HZ LYS 22 1HZ LYS 22 -1.232 -0.951 11.121 195 2HZ LYS 22 2HZ LYS 22 -1.656 -2.574 10.895 196 3HZ LYS 22 3HZ LYS 22 -0.026 -2.132 11.000 197 H GLU 23 H GLU 23 0.374 -0.218 4.917 198 HA GLU 23 HA GLU 23 2.760 -1.535 5.687 199 1HB GLU 23 1HB GLU 23 0.525 -2.409 4.558 200 2HB GLU 23 2HB GLU 23 1.449 -2.162 3.082 201 1HG GLU 23 1HG GLU 23 3.109 -3.712 3.757 202 2HG GLU 23 2HG GLU 23 2.456 -3.796 5.393 203 H ILE 24 H ILE 24 1.917 0.529 2.954 204 HA ILE 24 HA ILE 24 4.281 0.077 1.471 205 HB ILE 24 HB ILE 24 3.564 1.648 -0.020 206 1HG1 ILE 24 1HG1 ILE 24 2.045 3.639 0.774 207 2HG1 ILE 24 2HG1 ILE 24 2.747 3.290 2.351 208 1HG2 ILE 24 1HG2 ILE 24 1.593 0.120 0.981 209 2HG2 ILE 24 2HG2 ILE 24 0.888 1.723 1.192 210 3HG2 ILE 24 3HG2 ILE 24 1.404 1.191 -0.407 211 1HD1 ILE 24 1HD1 ILE 24 4.837 3.367 0.425 212 2HD1 ILE 24 2HD1 ILE 24 3.839 4.812 0.248 213 3HD1 ILE 24 3HD1 ILE 24 4.560 4.427 1.811 214 H GLU 25 H GLU 25 3.420 2.413 3.965 215 HA GLU 25 HA GLU 25 5.719 4.018 3.834 216 1HB GLU 25 1HB GLU 25 3.576 4.489 5.109 217 2HB GLU 25 2HB GLU 25 4.167 3.389 6.346 218 1HG GLU 25 1HG GLU 25 6.294 4.986 6.156 219 2HG GLU 25 2HG GLU 25 5.042 6.124 5.659 220 H ARG 26 H ARG 26 5.018 1.055 5.633 221 HA ARG 26 HA ARG 26 7.332 0.950 7.193 222 1HB ARG 26 1HB ARG 26 5.402 -0.552 7.509 223 2HB ARG 26 2HB ARG 26 5.781 -1.354 5.991 224 1HG ARG 26 1HG ARG 26 7.674 -2.376 6.855 225 2HG ARG 26 2HG ARG 26 7.804 -1.229 8.189 226 1HD ARG 26 1HD ARG 26 6.474 -2.456 9.498 227 2HD ARG 26 2HD ARG 26 5.286 -2.673 8.214 228 HE ARG 26 HE ARG 26 6.161 -4.743 7.829 229 1HH1 ARG 26 1HH1 ARG 26 8.513 -2.842 9.556 230 2HH1 ARG 26 2HH1 ARG 26 9.620 -4.158 9.758 231 1HH2 ARG 26 1HH2 ARG 26 7.611 -6.484 8.090 232 2HH2 ARG 26 2HH2 ARG 26 9.108 -6.229 8.925 233 H HIS 27 H HIS 27 6.694 -0.230 3.910 234 HA HIS 27 HA HIS 27 9.281 -1.346 3.536 235 1HB HIS 27 1HB HIS 27 6.850 -1.153 2.054 236 2HB HIS 27 2HB HIS 27 8.160 -0.564 1.036 237 HD1 HIS 27 HD1 HIS 27 10.216 -2.292 0.735 238 HD2 HIS 27 HD2 HIS 27 6.671 -3.865 2.227 239 HE1 HIS 27 HE1 HIS 27 10.404 -4.780 0.428 240 HE2 HIS 27 HE2 HIS 27 8.248 -5.714 1.338 241 H LYS 28 H LYS 28 7.941 1.832 3.336 242 HA LYS 28 HA LYS 28 9.946 2.965 1.664 243 1HB LYS 28 1HB LYS 28 7.598 3.877 2.131 244 2HB LYS 28 2HB LYS 28 8.261 4.481 3.644 245 1HG LYS 28 1HG LYS 28 10.074 5.513 2.019 246 2HG LYS 28 2HG LYS 28 8.751 5.379 0.860 247 1HD LYS 28 1HD LYS 28 8.231 6.589 3.538 248 2HD LYS 28 2HD LYS 28 9.045 7.548 2.301 249 1HE LYS 28 1HE LYS 28 7.194 7.215 0.779 250 2HE LYS 28 2HE LYS 28 6.396 6.152 1.937 251 1HZ LYS 28 1HZ LYS 28 7.080 8.888 2.753 252 2HZ LYS 28 2HZ LYS 28 5.732 8.647 1.761 253 3HZ LYS 28 3HZ LYS 28 5.814 7.896 3.276 254 H GLN 29 H GLN 29 9.663 2.292 5.047 255 HA GLN 29 HA GLN 29 11.767 4.063 5.869 256 1HB GLN 29 1HB GLN 29 10.000 3.414 7.433 257 2HB GLN 29 2HB GLN 29 10.479 1.727 7.297 258 1HG GLN 29 1HG GLN 29 12.796 2.636 8.102 259 2HG GLN 29 2HG GLN 29 11.822 3.974 8.712 260 2HE2 GLN 29 2HE2 GLN 29 13.221 2.452 10.457 261 1HE2 GLN 29 1HE2 GLN 29 12.150 1.469 11.392 262 H SER 30 H SER 30 11.462 0.602 5.195 263 HA SER 30 HA SER 30 14.121 -0.074 5.911 264 1HB SER 30 1HB SER 30 11.866 -1.399 4.530 265 2HB SER 30 2HB SER 30 13.471 -2.001 4.112 266 HG SER 30 HG SER 30 12.755 -3.138 5.885 267 H ILE 31 H ILE 31 12.615 0.865 2.853 268 HA ILE 31 HA ILE 31 14.943 0.438 1.263 269 HB ILE 31 HB ILE 31 12.795 0.412 0.189 270 1HG1 ILE 31 1HG1 ILE 31 13.085 2.296 -1.520 271 2HG1 ILE 31 2HG1 ILE 31 14.508 2.770 -0.598 272 1HG2 ILE 31 1HG2 ILE 31 12.169 2.483 1.914 273 2HG2 ILE 31 2HG2 ILE 31 12.159 3.237 0.321 274 3HG2 ILE 31 3HG2 ILE 31 11.144 1.832 0.636 275 1HD1 ILE 31 1HD1 ILE 31 15.293 0.375 -0.913 276 2HD1 ILE 31 2HD1 ILE 31 14.014 0.254 -2.122 277 3HD1 ILE 31 3HD1 ILE 31 15.309 1.431 -2.327 278 H LYS 32 H LYS 32 13.616 3.185 3.012 279 HA LYS 32 HA LYS 32 15.456 5.084 1.920 280 1HB LYS 32 1HB LYS 32 13.191 5.619 2.908 281 2HB LYS 32 2HB LYS 32 13.896 5.330 4.493 282 1HG LYS 32 1HG LYS 32 15.317 7.185 4.324 283 2HG LYS 32 2HG LYS 32 15.067 7.324 2.582 284 1HD LYS 32 1HD LYS 32 13.676 8.990 3.271 285 2HD LYS 32 2HD LYS 32 12.545 7.638 3.360 286 1HE LYS 32 1HE LYS 32 12.230 8.104 5.508 287 2HE LYS 32 2HE LYS 32 13.913 7.676 5.811 288 1HZ LYS 32 1HZ LYS 32 14.498 10.002 5.269 289 2HZ LYS 32 2HZ LYS 32 12.850 10.372 5.165 290 3HZ LYS 32 3HZ LYS 32 13.513 9.865 6.637 291 H LYS 33 H LYS 33 15.598 2.734 4.426 292 HA LYS 33 HA LYS 33 17.699 4.030 5.909 293 1HB LYS 33 1HB LYS 33 16.092 2.558 7.036 294 2HB LYS 33 2HB LYS 33 16.644 1.202 6.063 295 1HG LYS 33 1HG LYS 33 18.754 1.173 7.125 296 2HG LYS 33 2HG LYS 33 18.469 2.739 7.888 297 1HD LYS 33 1HD LYS 33 17.293 1.834 9.577 298 2HD LYS 33 2HD LYS 33 16.450 0.708 8.512 299 1HE LYS 33 1HE LYS 33 17.696 -0.760 9.749 300 2HE LYS 33 2HE LYS 33 18.809 -0.452 8.417 301 1HZ LYS 33 1HZ LYS 33 18.950 1.254 10.801 302 2HZ LYS 33 2HZ LYS 33 19.613 -0.302 10.875 303 3HZ LYS 33 3HZ LYS 33 20.176 0.805 9.726 304 H LEU 34 H LEU 34 17.469 1.443 3.496 305 HA LEU 34 HA LEU 34 20.283 0.846 3.685 306 1HB LEU 34 1HB LEU 34 18.204 -0.023 1.677 307 2HB LEU 34 2HB LEU 34 19.848 -0.630 1.745 308 HG LEU 34 HG LEU 34 18.153 -0.874 4.185 309 1HD1 LEU 34 1HD1 LEU 34 16.783 -1.625 2.213 310 2HD1 LEU 34 2HD1 LEU 34 18.013 -2.857 1.928 311 3HD1 LEU 34 3HD1 LEU 34 17.097 -2.858 3.434 312 1HD2 LEU 34 1HD2 LEU 34 20.539 -1.496 4.189 313 2HD2 LEU 34 2HD2 LEU 34 19.479 -2.869 4.513 314 3HD2 LEU 34 3HD2 LEU 34 20.212 -2.677 2.921 315 H LYS 35 H LYS 35 18.266 2.990 1.878 316 HA LYS 35 HA LYS 35 20.247 3.459 -0.182 317 1HB LYS 35 1HB LYS 35 18.672 4.958 -1.156 318 2HB LYS 35 2HB LYS 35 17.760 3.565 -0.589 319 1HG LYS 35 1HG LYS 35 16.408 5.183 0.210 320 2HG LYS 35 2HG LYS 35 17.530 5.109 1.570 321 1HD LYS 35 1HD LYS 35 18.141 7.221 1.234 322 2HD LYS 35 2HD LYS 35 18.567 6.868 -0.441 323 1HE LYS 35 1HE LYS 35 16.054 7.033 -0.914 324 2HE LYS 35 2HE LYS 35 15.935 7.791 0.673 325 1HZ LYS 35 1HZ LYS 35 17.969 9.137 -0.502 326 2HZ LYS 35 2HZ LYS 35 16.921 8.870 -1.801 327 3HZ LYS 35 3HZ LYS 35 16.365 9.669 -0.419 328 H GLN 36 H GLN 36 19.204 4.870 2.832 329 HA GLN 36 HA GLN 36 20.652 7.332 2.447 330 1HB GLN 36 1HB GLN 36 19.068 6.116 4.672 331 2HB GLN 36 2HB GLN 36 20.168 7.437 5.037 332 1HG GLN 36 1HG GLN 36 18.720 8.251 2.785 333 2HG GLN 36 2HG GLN 36 17.549 7.512 3.877 334 2HE2 GLN 36 2HE2 GLN 36 19.132 10.312 3.099 335 1HE2 GLN 36 1HE2 GLN 36 18.888 11.188 4.567 336 H SER 37 H SER 37 21.218 4.216 3.915 337 HA SER 37 HA SER 37 23.580 5.008 5.335 338 1HB SER 37 1HB SER 37 22.620 3.138 6.310 339 2HB SER 37 2HB SER 37 22.206 2.411 4.757 340 HG SER 37 HG SER 37 24.204 1.746 6.210 341 H GLU 38 H GLU 38 22.846 3.905 2.132 342 HA GLU 38 HA GLU 38 25.496 3.071 1.456 343 1HB GLU 38 1HB GLU 38 22.905 3.274 0.126 344 2HB GLU 38 2HB GLU 38 24.245 3.699 -0.930 345 1HG GLU 38 1HG GLU 38 24.238 1.176 0.691 346 2HG GLU 38 2HG GLU 38 23.488 1.273 -0.902 347 H ASP 39 H ASP 39 23.786 6.086 1.487 348 HA ASP 39 HA ASP 39 25.603 7.462 -0.263 349 1HB ASP 39 1HB ASP 39 23.138 8.049 0.238 350 2HB ASP 39 2HB ASP 39 23.760 8.802 1.704 351 H ASP 40 H ASP 40 25.435 6.749 3.119 352 HA ASP 40 HA ASP 40 26.908 7.090 4.822 353 1HB ASP 40 1HB ASP 40 28.523 7.450 2.415 354 2HB ASP 40 2HB ASP 40 29.131 8.374 3.786 355 H ASP 41 H ASP 41 27.899 8.814 6.131 356 HA ASP 41 HA ASP 41 27.655 10.819 7.190 357 1HB ASP 41 1HB ASP 41 27.786 11.992 4.409 358 2HB ASP 41 2HB ASP 41 28.287 12.749 5.918 359 H1 ALA 1 H1 ALA 1 35.824 -1.085 -0.762 360 H2 ALA 1 H2 ALA 1 34.911 -1.321 0.672 361 H3 ALA 1 H3 ALA 1 36.358 -2.208 0.417 362 HA ALA 1 HA ALA 1 35.413 -3.364 -1.384 363 1HB ALA 1 1HB ALA 1 33.393 -4.369 -0.080 364 2HB ALA 1 2HB ALA 1 33.954 -3.320 1.221 365 3HB ALA 1 3HB ALA 1 35.029 -4.550 0.555 366 H LEU 2 H LEU 2 33.402 -3.965 -2.527 367 HA LEU 2 HA LEU 2 31.745 -1.580 -3.026 368 1HB LEU 2 1HB LEU 2 33.328 -2.932 -4.806 369 2HB LEU 2 2HB LEU 2 31.762 -3.672 -5.083 370 HG LEU 2 HG LEU 2 30.814 -1.383 -5.440 371 1HD1 LEU 2 1HD1 LEU 2 33.141 -0.514 -4.290 372 2HD1 LEU 2 2HD1 LEU 2 33.425 -0.209 -6.004 373 3HD1 LEU 2 3HD1 LEU 2 32.014 0.486 -5.206 374 1HD2 LEU 2 1HD2 LEU 2 32.533 -2.921 -7.153 375 2HD2 LEU 2 2HD2 LEU 2 31.072 -2.018 -7.552 376 3HD2 LEU 2 3HD2 LEU 2 32.639 -1.208 -7.556 377 H LYS 3 H LYS 3 29.661 -1.721 -2.537 378 HA LYS 3 HA LYS 3 28.539 -4.334 -1.872 379 1HB LYS 3 1HB LYS 3 28.071 -1.574 -1.025 380 2HB LYS 3 2HB LYS 3 26.584 -2.462 -1.331 381 1HG LYS 3 1HG LYS 3 27.045 -2.770 0.946 382 2HG LYS 3 2HG LYS 3 27.525 -4.278 0.164 383 1HD LYS 3 1HD LYS 3 29.842 -2.882 0.036 384 2HD LYS 3 2HD LYS 3 29.160 -2.247 1.534 385 1HE LYS 3 1HE LYS 3 30.313 -4.063 2.330 386 2HE LYS 3 2HE LYS 3 28.728 -4.781 2.046 387 1HZ LYS 3 1HZ LYS 3 29.774 -5.255 -0.292 388 2HZ LYS 3 2HZ LYS 3 31.228 -5.153 0.567 389 3HZ LYS 3 3HZ LYS 3 30.060 -6.292 1.014 390 H LYS 4 H LYS 4 27.552 -5.407 -3.444 391 HA LYS 4 HA LYS 4 26.069 -3.880 -5.480 392 1HB LYS 4 1HB LYS 4 28.068 -5.717 -5.865 393 2HB LYS 4 2HB LYS 4 26.625 -6.705 -6.054 394 1HG LYS 4 1HG LYS 4 25.826 -4.872 -7.661 395 2HG LYS 4 2HG LYS 4 27.509 -4.343 -7.666 396 1HD LYS 4 1HD LYS 4 28.159 -6.664 -8.318 397 2HD LYS 4 2HD LYS 4 26.443 -7.044 -8.479 398 1HE LYS 4 1HE LYS 4 26.414 -4.957 -10.040 399 2HE LYS 4 2HE LYS 4 28.152 -5.235 -10.136 400 1HZ LYS 4 1HZ LYS 4 26.135 -7.330 -10.718 401 2HZ LYS 4 2HZ LYS 4 26.805 -6.330 -11.907 402 3HZ LYS 4 3HZ LYS 4 27.796 -7.385 -11.031 403 H HIS 5 H HIS 5 25.992 -6.917 -3.626 404 HA HIS 5 HA HIS 5 23.389 -7.682 -4.295 405 1HB HIS 5 1HB HIS 5 23.504 -8.920 -2.041 406 2HB HIS 5 2HB HIS 5 24.705 -9.330 -3.260 407 HD1 HIS 5 HD1 HIS 5 27.130 -8.977 -2.663 408 HD2 HIS 5 HD2 HIS 5 24.526 -7.321 0.120 409 HE1 HIS 5 HE1 HIS 5 28.571 -8.282 -0.723 410 HE2 HIS 5 HE2 HIS 5 26.975 -7.281 0.950 411 H HIS 6 H HIS 6 24.570 -5.337 -2.013 412 HA HIS 6 HA HIS 6 22.197 -5.103 -0.468 413 1HB HIS 6 1HB HIS 6 24.798 -3.898 -0.527 414 2HB HIS 6 2HB HIS 6 23.580 -2.631 -0.438 415 HD1 HIS 6 HD1 HIS 6 22.983 -5.930 1.218 416 HD2 HIS 6 HD2 HIS 6 24.176 -2.084 2.240 417 HE1 HIS 6 HE1 HIS 6 22.895 -5.844 3.730 418 HE2 HIS 6 HE2 HIS 6 23.622 -3.507 4.327 419 H GLU 7 H GLU 7 23.462 -3.353 -3.278 420 HA GLU 7 HA GLU 7 21.389 -1.434 -3.394 421 1HB GLU 7 1HB GLU 7 23.256 -2.478 -5.530 422 2HB GLU 7 2HB GLU 7 22.158 -1.124 -5.767 423 1HG GLU 7 1HG GLU 7 23.852 -0.872 -3.402 424 2HG GLU 7 2HG GLU 7 24.742 -0.942 -4.923 425 H ASN 8 H ASN 8 21.686 -4.702 -4.568 426 HA ASN 8 HA ASN 8 19.499 -4.623 -6.383 427 1HB ASN 8 1HB ASN 8 21.435 -6.385 -6.095 428 2HB ASN 8 2HB ASN 8 20.302 -7.145 -4.982 429 2HD2 ASN 8 2HD2 ASN 8 19.886 -8.930 -6.192 430 1HD2 ASN 8 1HD2 ASN 8 19.064 -8.888 -7.711 431 H GLU 9 H GLU 9 19.843 -5.665 -3.011 432 HA GLU 9 HA GLU 9 17.213 -6.537 -2.621 433 1HB GLU 9 1HB GLU 9 19.490 -6.392 -1.075 434 2HB GLU 9 2HB GLU 9 18.421 -5.240 -0.287 435 1HG GLU 9 1HG GLU 9 17.008 -6.838 0.443 436 2HG GLU 9 2HG GLU 9 17.237 -7.848 -0.984 437 H ILE 10 H ILE 10 18.679 -3.332 -2.156 438 HA ILE 10 HA ILE 10 16.262 -2.156 -1.227 439 HB ILE 10 HB ILE 10 17.334 -0.034 -1.397 440 1HG1 ILE 10 1HG1 ILE 10 19.470 -1.415 -3.036 441 2HG1 ILE 10 2HG1 ILE 10 18.303 -0.239 -3.636 442 1HG2 ILE 10 1HG2 ILE 10 18.061 -1.491 0.418 443 2HG2 ILE 10 2HG2 ILE 10 19.364 -2.110 -0.597 444 3HG2 ILE 10 3HG2 ILE 10 19.357 -0.416 -0.106 445 1HD1 ILE 10 1HD1 ILE 10 19.644 0.916 -1.425 446 2HD1 ILE 10 2HD1 ILE 10 20.856 0.216 -2.500 447 3HD1 ILE 10 3HD1 ILE 10 19.700 1.394 -3.125 448 H SER 11 H SER 11 17.478 -2.954 -4.348 449 HA SER 11 HA SER 11 16.014 -1.052 -5.857 450 1HB SER 11 1HB SER 11 17.927 -2.681 -6.605 451 2HB SER 11 2HB SER 11 16.606 -3.814 -6.889 452 HG SER 11 HG SER 11 16.873 -1.223 -8.020 453 H HIS 12 H HIS 12 15.323 -4.282 -4.624 454 HA HIS 12 HA HIS 12 12.750 -4.459 -5.851 455 1HB HIS 12 1HB HIS 12 13.286 -6.598 -5.378 456 2HB HIS 12 2HB HIS 12 14.461 -6.120 -4.167 457 HD1 HIS 12 HD1 HIS 12 10.908 -7.216 -4.567 458 HD2 HIS 12 HD2 HIS 12 13.544 -6.181 -1.528 459 HE1 HIS 12 HE1 HIS 12 9.787 -7.934 -2.433 460 HE2 HIS 12 HE2 HIS 12 11.400 -7.298 -0.604 461 H HIS 13 H HIS 13 13.986 -3.258 -2.788 462 HA HIS 13 HA HIS 13 11.494 -3.050 -1.460 463 1HB HIS 13 1HB HIS 13 13.964 -1.360 -1.048 464 2HB HIS 13 2HB HIS 13 12.625 -1.540 0.079 465 HD1 HIS 13 HD1 HIS 13 12.536 -4.756 -0.405 466 HD2 HIS 13 HD2 HIS 13 15.756 -2.416 0.758 467 HE1 HIS 13 HE1 HIS 13 14.097 -6.321 0.799 468 HE2 HIS 13 HE2 HIS 13 16.047 -4.883 1.498 469 H ALA 14 H ALA 14 13.190 -0.992 -3.733 470 HA ALA 14 HA ALA 14 11.617 1.338 -3.288 471 1HB ALA 14 1HB ALA 14 13.763 0.536 -5.046 472 2HB ALA 14 2HB ALA 14 13.295 2.150 -4.512 473 3HB ALA 14 3HB ALA 14 12.527 1.434 -5.929 474 H LYS 15 H LYS 15 11.560 -1.158 -5.835 475 HA LYS 15 HA LYS 15 9.185 -0.194 -7.042 476 1HB LYS 15 1HB LYS 15 10.929 -2.538 -7.307 477 2HB LYS 15 2HB LYS 15 9.238 -2.876 -7.650 478 1HG LYS 15 1HG LYS 15 10.223 -0.435 -8.912 479 2HG LYS 15 2HG LYS 15 11.058 -1.900 -9.434 480 1HD LYS 15 1HD LYS 15 8.970 -2.924 -10.062 481 2HD LYS 15 2HD LYS 15 8.060 -1.568 -9.396 482 1HE LYS 15 1HE LYS 15 8.655 -0.150 -11.120 483 2HE LYS 15 2HE LYS 15 10.102 -1.074 -11.516 484 1HZ LYS 15 1HZ LYS 15 8.019 -2.802 -11.953 485 2HZ LYS 15 2HZ LYS 15 7.464 -1.322 -12.559 486 3HZ LYS 15 3HZ LYS 15 8.909 -1.983 -13.135 487 H GLU 16 H GLU 16 9.752 -1.863 -4.128 488 HA GLU 16 HA GLU 16 7.194 -3.187 -4.021 489 1HB GLU 16 1HB GLU 16 9.299 -4.041 -2.912 490 2HB GLU 16 2HB GLU 16 9.133 -2.729 -1.754 491 1HG GLU 16 1HG GLU 16 8.249 -4.981 -1.044 492 2HG GLU 16 2HG GLU 16 7.151 -3.614 -0.867 493 H ILE 17 H ILE 17 8.672 -0.242 -2.708 494 HA ILE 17 HA ILE 17 6.423 0.385 -1.051 495 HB ILE 17 HB ILE 17 7.536 2.331 -0.439 496 1HG1 ILE 17 1HG1 ILE 17 9.568 3.112 -1.951 497 2HG1 ILE 17 2HG1 ILE 17 8.660 2.290 -3.216 498 1HG2 ILE 17 1HG2 ILE 17 8.999 -0.028 -0.627 499 2HG2 ILE 17 2HG2 ILE 17 10.108 1.256 -1.105 500 3HG2 ILE 17 3HG2 ILE 17 9.285 1.336 0.449 501 1HD1 ILE 17 1HD1 ILE 17 6.716 3.793 -2.093 502 2HD1 ILE 17 2HD1 ILE 17 8.125 4.823 -1.846 503 3HD1 ILE 17 3HD1 ILE 17 7.695 4.292 -3.473 504 H GLU 18 H GLU 18 7.439 1.241 -4.312 505 HA GLU 18 HA GLU 18 5.359 3.171 -4.709 506 1HB GLU 18 1HB GLU 18 7.703 2.538 -6.016 507 2HB GLU 18 2HB GLU 18 6.473 1.938 -7.121 508 1HG GLU 18 1HG GLU 18 5.453 4.104 -7.252 509 2HG GLU 18 2HG GLU 18 6.533 4.731 -6.008 510 H ARG 19 H ARG 19 5.793 -0.255 -5.348 511 HA ARG 19 HA ARG 19 3.451 -0.552 -6.943 512 1HB ARG 19 1HB ARG 19 5.304 -2.449 -5.540 513 2HB ARG 19 2HB ARG 19 3.797 -3.039 -6.227 514 1HG ARG 19 1HG ARG 19 5.409 -1.378 -8.030 515 2HG ARG 19 2HG ARG 19 6.144 -2.911 -7.560 516 1HD ARG 19 1HD ARG 19 3.301 -3.042 -8.317 517 2HD ARG 19 2HD ARG 19 4.413 -2.619 -9.618 518 HE ARG 19 HE ARG 19 4.050 -5.180 -8.495 519 1HH1 ARG 19 1HH1 ARG 19 6.555 -3.050 -9.640 520 2HH1 ARG 19 2HH1 ARG 19 7.625 -4.337 -10.085 521 1HH2 ARG 19 1HH2 ARG 19 5.450 -6.883 -9.078 522 2HH2 ARG 19 2HH2 ARG 19 6.997 -6.517 -9.768 523 H LEU 20 H LEU 20 4.142 -0.713 -3.510 524 HA LEU 20 HA LEU 20 1.666 -1.899 -2.758 525 1HB LEU 20 1HB LEU 20 3.711 -0.297 -1.228 526 2HB LEU 20 2HB LEU 20 2.267 -0.956 -0.482 527 HG LEU 20 HG LEU 20 4.118 -2.782 -1.962 528 1HD1 LEU 20 1HD1 LEU 20 5.488 -1.401 -0.404 529 2HD1 LEU 20 2HD1 LEU 20 4.487 -1.996 0.921 530 3HD1 LEU 20 3HD1 LEU 20 5.465 -3.121 -0.019 531 1HD2 LEU 20 1HD2 LEU 20 1.761 -3.037 -0.412 532 2HD2 LEU 20 2HD2 LEU 20 2.720 -4.309 -1.168 533 3HD2 LEU 20 3HD2 LEU 20 3.078 -3.797 0.481 534 H GLN 21 H GLN 21 2.837 1.398 -3.126 535 HA GLN 21 HA GLN 21 0.645 2.743 -2.002 536 1HB GLN 21 1HB GLN 21 3.010 3.413 -3.489 537 2HB GLN 21 2HB GLN 21 1.644 4.309 -4.135 538 1HG GLN 21 1HG GLN 21 2.609 4.290 -1.287 539 2HG GLN 21 2HG GLN 21 2.750 5.610 -2.445 540 2HE2 GLN 21 2HE2 GLN 21 0.047 5.176 -3.501 541 1HE2 GLN 21 1HE2 GLN 21 -1.031 5.790 -2.303 542 H LYS 22 H LYS 22 1.302 1.759 -5.356 543 HA LYS 22 HA LYS 22 -1.043 2.860 -6.466 544 1HB LYS 22 1HB LYS 22 -0.611 1.308 -8.361 545 2HB LYS 22 2HB LYS 22 0.801 2.246 -7.893 546 1HG LYS 22 1HG LYS 22 1.742 0.354 -6.746 547 2HG LYS 22 2HG LYS 22 0.282 -0.593 -7.038 548 1HD LYS 22 1HD LYS 22 1.259 0.446 -9.521 549 2HD LYS 22 2HD LYS 22 2.568 -0.380 -8.672 550 1HE LYS 22 1HE LYS 22 1.486 -2.415 -8.704 551 2HE LYS 22 2HE LYS 22 -0.111 -1.681 -8.847 552 1HZ LYS 22 1HZ LYS 22 1.232 -0.933 -11.122 553 2HZ LYS 22 2HZ LYS 22 1.656 -2.556 -10.898 554 3HZ LYS 22 3HZ LYS 22 0.027 -2.114 -11.005 555 H GLU 23 H GLU 23 -0.371 -0.211 -4.911 556 HA GLU 23 HA GLU 23 -2.756 -1.528 -5.678 557 1HB GLU 23 1HB GLU 23 -0.520 -2.400 -4.550 558 2HB GLU 23 2HB GLU 23 -1.445 -2.158 -3.075 559 1HG GLU 23 1HG GLU 23 -3.102 -3.709 -3.755 560 2HG GLU 23 2HG GLU 23 -2.449 -3.787 -5.390 561 H ILE 24 H ILE 24 -1.917 0.544 -2.951 562 HA ILE 24 HA ILE 24 -4.280 0.085 -1.466 563 HB ILE 24 HB ILE 24 -3.565 1.657 0.024 564 1HG1 ILE 24 1HG1 ILE 24 -2.045 3.649 -0.771 565 2HG1 ILE 24 2HG1 ILE 24 -2.744 3.297 -2.348 566 1HG2 ILE 24 1HG2 ILE 24 -1.593 0.129 -0.976 567 2HG2 ILE 24 2HG2 ILE 24 -0.888 1.731 -1.183 568 3HG2 ILE 24 3HG2 ILE 24 -1.407 1.196 0.415 569 1HD1 ILE 24 1HD1 ILE 24 -4.838 3.376 -0.426 570 2HD1 ILE 24 2HD1 ILE 24 -3.839 4.820 -0.246 571 3HD1 ILE 24 3HD1 ILE 24 -4.558 4.435 -1.810 572 H GLU 25 H GLU 25 -3.416 2.423 -3.958 573 HA GLU 25 HA GLU 25 -5.717 4.026 -3.832 574 1HB GLU 25 1HB GLU 25 -3.573 4.496 -5.106 575 2HB GLU 25 2HB GLU 25 -4.165 3.395 -6.344 576 1HG GLU 25 1HG GLU 25 -6.292 4.995 -6.153 577 2HG GLU 25 2HG GLU 25 -5.039 6.130 -5.656 578 H ARG 26 H ARG 26 -5.016 1.063 -5.631 579 HA ARG 26 HA ARG 26 -7.330 0.958 -7.190 580 1HB ARG 26 1HB ARG 26 -5.401 -0.544 -7.507 581 2HB ARG 26 2HB ARG 26 -5.778 -1.348 -5.990 582 1HG ARG 26 1HG ARG 26 -7.672 -2.371 -6.853 583 2HG ARG 26 2HG ARG 26 -7.804 -1.221 -8.186 584 1HD ARG 26 1HD ARG 26 -6.474 -2.443 -9.498 585 2HD ARG 26 2HD ARG 26 -5.284 -2.664 -8.215 586 HE ARG 26 HE ARG 26 -6.161 -4.734 -7.833 587 1HH1 ARG 26 1HH1 ARG 26 -8.512 -2.831 -9.560 588 2HH1 ARG 26 2HH1 ARG 26 -9.617 -4.147 -9.766 589 1HH2 ARG 26 1HH2 ARG 26 -7.611 -6.475 -8.098 590 2HH2 ARG 26 2HH2 ARG 26 -9.106 -6.220 -8.935 591 H HIS 27 H HIS 27 -6.691 -0.229 -3.909 592 HA HIS 27 HA HIS 27 -9.281 -1.343 -3.538 593 1HB HIS 27 1HB HIS 27 -6.850 -1.153 -2.052 594 2HB HIS 27 2HB HIS 27 -8.160 -0.565 -1.035 595 HD1 HIS 27 HD1 HIS 27 -10.217 -2.293 -0.739 596 HD2 HIS 27 HD2 HIS 27 -6.671 -3.866 -2.229 597 HE1 HIS 27 HE1 HIS 27 -10.406 -4.783 -0.435 598 HE2 HIS 27 HE2 HIS 27 -8.248 -5.715 -1.344 599 H LYS 28 H LYS 28 -7.941 1.834 -3.335 600 HA LYS 28 HA LYS 28 -9.946 2.965 -1.661 601 1HB LYS 28 1HB LYS 28 -7.599 3.878 -2.128 602 2HB LYS 28 2HB LYS 28 -8.262 4.485 -3.639 603 1HG LYS 28 1HG LYS 28 -10.075 5.513 -2.014 604 2HG LYS 28 2HG LYS 28 -8.752 5.378 -0.854 605 1HD LYS 28 1HD LYS 28 -8.232 6.592 -3.531 606 2HD LYS 28 2HD LYS 28 -9.045 7.549 -2.291 607 1HE LYS 28 1HE LYS 28 -7.193 7.213 -0.770 608 2HE LYS 28 2HE LYS 28 -6.397 6.151 -1.930 609 1HZ LYS 28 1HZ LYS 28 -7.079 8.889 -2.743 610 2HZ LYS 28 2HZ LYS 28 -5.731 8.646 -1.751 611 3HZ LYS 28 3HZ LYS 28 -5.813 7.897 -3.266 612 H GLN 29 H GLN 29 -9.662 2.295 -5.045 613 HA GLN 29 HA GLN 29 -11.767 4.066 -5.866 614 1HB GLN 29 1HB GLN 29 -9.999 3.418 -7.430 615 2HB GLN 29 2HB GLN 29 -10.478 1.732 -7.296 616 1HG GLN 29 1HG GLN 29 -12.795 2.642 -8.100 617 2HG GLN 29 2HG GLN 29 -11.821 3.980 -8.708 618 2HE2 GLN 29 2HE2 GLN 29 -13.220 2.461 -10.455 619 1HE2 GLN 29 1HE2 GLN 29 -12.150 1.479 -11.391 620 H SER 30 H SER 30 -11.462 0.604 -5.195 621 HA SER 30 HA SER 30 -14.120 -0.071 -5.912 622 1HB SER 30 1HB SER 30 -11.867 -1.397 -4.532 623 2HB SER 30 2HB SER 30 -13.471 -1.999 -4.116 624 HG SER 30 HG SER 30 -12.756 -3.134 -5.889 625 H ILE 31 H ILE 31 -12.615 0.865 -2.852 626 HA ILE 31 HA ILE 31 -14.943 0.436 -1.264 627 HB ILE 31 HB ILE 31 -12.796 0.412 -0.188 628 1HG1 ILE 31 1HG1 ILE 31 -13.086 2.295 1.521 629 2HG1 ILE 31 2HG1 ILE 31 -14.509 2.770 0.597 630 1HG2 ILE 31 1HG2 ILE 31 -12.169 2.482 -1.913 631 2HG2 ILE 31 2HG2 ILE 31 -12.160 3.237 -0.321 632 3HG2 ILE 31 3HG2 ILE 31 -11.145 1.831 -0.636 633 1HD1 ILE 31 1HD1 ILE 31 -15.294 0.373 0.913 634 2HD1 ILE 31 2HD1 ILE 31 -14.016 0.254 2.122 635 3HD1 ILE 31 3HD1 ILE 31 -15.311 1.431 2.325 636 H LYS 32 H LYS 32 -13.616 3.186 -3.009 637 HA LYS 32 HA LYS 32 -15.458 5.084 -1.918 638 1HB LYS 32 1HB LYS 32 -13.192 5.619 -2.906 639 2HB LYS 32 2HB LYS 32 -13.899 5.334 -4.490 640 1HG LYS 32 1HG LYS 32 -15.319 7.189 -4.316 641 2HG LYS 32 2HG LYS 32 -15.068 7.323 -2.575 642 1HD LYS 32 1HD LYS 32 -13.677 8.992 -3.262 643 2HD LYS 32 2HD LYS 32 -12.547 7.639 -3.353 644 1HE LYS 32 1HE LYS 32 -12.230 8.108 -5.500 645 2HE LYS 32 2HE LYS 32 -13.912 7.680 -5.804 646 1HZ LYS 32 1HZ LYS 32 -14.499 10.005 -5.259 647 2HZ LYS 32 2HZ LYS 32 -12.852 10.375 -5.154 648 3HZ LYS 32 3HZ LYS 32 -13.515 9.870 -6.627 649 H LYS 33 H LYS 33 -15.599 2.736 -4.424 650 HA LYS 33 HA LYS 33 -17.701 4.031 -5.907 651 1HB LYS 33 1HB LYS 33 -16.093 2.561 -7.034 652 2HB LYS 33 2HB LYS 33 -16.646 1.204 -6.062 653 1HG LYS 33 1HG LYS 33 -18.755 1.176 -7.126 654 2HG LYS 33 2HG LYS 33 -18.470 2.743 -7.886 655 1HD LYS 33 1HD LYS 33 -17.293 1.842 -9.576 656 2HD LYS 33 2HD LYS 33 -16.450 0.713 -8.513 657 1HE LYS 33 1HE LYS 33 -17.696 -0.752 -9.754 658 2HE LYS 33 2HE LYS 33 -18.809 -0.446 -8.421 659 1HZ LYS 33 1HZ LYS 33 -18.950 1.263 -10.801 660 2HZ LYS 33 2HZ LYS 33 -19.613 -0.292 -10.878 661 3HZ LYS 33 3HZ LYS 33 -20.176 0.812 -9.727 662 H LEU 34 H LEU 34 -17.471 1.443 -3.497 663 HA LEU 34 HA LEU 34 -20.285 0.846 -3.686 664 1HB LEU 34 1HB LEU 34 -18.206 -0.024 -1.679 665 2HB LEU 34 2HB LEU 34 -19.850 -0.632 -1.748 666 HG LEU 34 HG LEU 34 -18.153 -0.873 -4.187 667 1HD1 LEU 34 1HD1 LEU 34 -16.783 -1.624 -2.217 668 2HD1 LEU 34 2HD1 LEU 34 -18.012 -2.856 -1.930 669 3HD1 LEU 34 3HD1 LEU 34 -17.097 -2.858 -3.437 670 1HD2 LEU 34 1HD2 LEU 34 -20.538 -1.496 -4.193 671 2HD2 LEU 34 2HD2 LEU 34 -19.478 -2.868 -4.518 672 3HD2 LEU 34 3HD2 LEU 34 -20.211 -2.678 -2.925 673 H LYS 35 H LYS 35 -18.268 2.989 -1.877 674 HA LYS 35 HA LYS 35 -20.249 3.455 0.184 675 1HB LYS 35 1HB LYS 35 -18.674 4.952 1.159 676 2HB LYS 35 2HB LYS 35 -17.762 3.561 0.591 677 1HG LYS 35 1HG LYS 35 -16.409 5.180 -0.207 678 2HG LYS 35 2HG LYS 35 -17.532 5.108 -1.567 679 1HD LYS 35 1HD LYS 35 -18.140 7.220 -1.228 680 2HD LYS 35 2HD LYS 35 -18.569 6.863 0.447 681 1HE LYS 35 1HE LYS 35 -16.056 7.027 0.921 682 2HE LYS 35 2HE LYS 35 -15.937 7.788 -0.665 683 1HZ LYS 35 1HZ LYS 35 -17.970 9.133 0.512 684 2HZ LYS 35 2HZ LYS 35 -16.921 8.862 1.811 685 3HZ LYS 35 3HZ LYS 35 -16.367 9.665 0.430 686 H GLN 36 H GLN 36 -19.206 4.870 -2.830 687 HA GLN 36 HA GLN 36 -20.655 7.331 -2.441 688 1HB GLN 36 1HB GLN 36 -19.070 6.117 -4.666 689 2HB GLN 36 2HB GLN 36 -20.170 7.439 -5.030 690 1HG GLN 36 1HG GLN 36 -18.721 8.250 -2.777 691 2HG GLN 36 2HG GLN 36 -17.551 7.512 -3.871 692 2HE2 GLN 36 2HE2 GLN 36 -19.134 10.311 -3.088 693 1HE2 GLN 36 1HE2 GLN 36 -18.889 11.190 -4.555 694 H SER 37 H SER 37 -21.220 4.216 -3.913 695 HA SER 37 HA SER 37 -23.582 5.009 -5.331 696 1HB SER 37 1HB SER 37 -22.621 3.140 -6.308 697 2HB SER 37 2HB SER 37 -22.207 2.412 -4.757 698 HG SER 37 HG SER 37 -24.205 1.749 -6.210 699 H GLU 38 H GLU 38 -22.848 3.902 -2.130 700 HA GLU 38 HA GLU 38 -25.498 3.067 -1.456 701 1HB GLU 38 1HB GLU 38 -22.907 3.268 -0.124 702 2HB GLU 38 2HB GLU 38 -24.248 3.691 0.932 703 1HG GLU 38 1HG GLU 38 -24.240 1.172 -0.692 704 2HG GLU 38 2HG GLU 38 -23.490 1.266 0.900 705 H ASP 39 H ASP 39 -23.787 6.083 -1.482 706 HA ASP 39 HA ASP 39 -25.604 7.456 0.269 707 1HB ASP 39 1HB ASP 39 -23.139 8.044 -0.230 708 2HB ASP 39 2HB ASP 39 -23.760 8.798 -1.696 709 H ASP 40 H ASP 40 -25.437 6.747 -3.114 710 HA ASP 40 HA ASP 40 -26.909 7.090 -4.815 711 1HB ASP 40 1HB ASP 40 -28.525 7.448 -2.409 712 2HB ASP 40 2HB ASP 40 -29.132 8.374 -3.779 713 H ASP 41 H ASP 41 -27.901 8.817 -6.123 714 HA ASP 41 HA ASP 41 -27.657 10.824 -7.179 715 1HB ASP 41 1HB ASP 41 -27.788 11.991 -4.396 716 2HB ASP 41 2HB ASP 41 -28.289 12.751 -5.904 No H/Q in entry = 716 Start of MODEL 32 1 H1 ALA 1 H1 ALA 1 -24.836 8.746 5.125 2 H2 ALA 1 H2 ALA 1 -23.141 8.473 5.089 3 H3 ALA 1 H3 ALA 1 -24.071 8.310 3.654 4 HA ALA 1 HA ALA 1 -23.833 6.176 4.215 5 1HB ALA 1 1HB ALA 1 -23.245 7.296 6.789 6 2HB ALA 1 2HB ALA 1 -22.797 5.726 6.124 7 3HB ALA 1 3HB ALA 1 -24.336 5.922 6.963 8 H LEU 2 H LEU 2 -25.695 5.597 3.248 9 HA LEU 2 HA LEU 2 -28.096 5.496 4.932 10 1HB LEU 2 1HB LEU 2 -28.227 6.221 2.014 11 2HB LEU 2 2HB LEU 2 -29.514 6.292 3.202 12 HG LEU 2 HG LEU 2 -27.388 7.990 4.075 13 1HD1 LEU 2 1HD1 LEU 2 -26.896 7.899 1.565 14 2HD1 LEU 2 2HD1 LEU 2 -28.400 8.798 1.371 15 3HD1 LEU 2 3HD1 LEU 2 -27.076 9.485 2.312 16 1HD2 LEU 2 1HD2 LEU 2 -29.949 8.007 4.442 17 2HD2 LEU 2 2HD2 LEU 2 -29.089 9.542 4.323 18 3HD2 LEU 2 3HD2 LEU 2 -29.991 8.927 2.937 19 H LYS 3 H LYS 3 -26.039 3.540 4.039 20 HA LYS 3 HA LYS 3 -27.910 1.543 3.007 21 1HB LYS 3 1HB LYS 3 -25.139 1.942 1.866 22 2HB LYS 3 2HB LYS 3 -26.289 0.699 1.393 23 1HG LYS 3 1HG LYS 3 -27.114 2.056 -0.141 24 2HG LYS 3 2HG LYS 3 -27.590 3.193 1.123 25 1HD LYS 3 1HD LYS 3 -24.853 3.579 0.833 26 2HD LYS 3 2HD LYS 3 -25.445 3.371 -0.816 27 1HE LYS 3 1HE LYS 3 -27.286 5.045 -0.107 28 2HE LYS 3 2HE LYS 3 -26.189 5.444 1.215 29 1HZ LYS 3 1HZ LYS 3 -25.525 5.587 -1.677 30 2HZ LYS 3 2HZ LYS 3 -25.876 6.910 -0.684 31 3HZ LYS 3 3HZ LYS 3 -24.486 5.988 -0.403 32 H LYS 4 H LYS 4 -27.562 -0.523 3.751 33 HA LYS 4 HA LYS 4 -25.605 -0.752 5.917 34 1HB LYS 4 1HB LYS 4 -28.171 -2.143 5.259 35 2HB LYS 4 2HB LYS 4 -26.988 -2.961 6.270 36 1HG LYS 4 1HG LYS 4 -28.654 -1.804 7.611 37 2HG LYS 4 2HG LYS 4 -27.047 -1.117 7.859 38 1HD LYS 4 1HD LYS 4 -28.549 0.161 5.702 39 2HD LYS 4 2HD LYS 4 -29.321 0.305 7.282 40 1HE LYS 4 1HE LYS 4 -27.161 1.139 8.192 41 2HE LYS 4 2HE LYS 4 -26.509 1.118 6.554 42 1HZ LYS 4 1HZ LYS 4 -28.999 2.525 6.745 43 2HZ LYS 4 2HZ LYS 4 -27.798 3.202 7.726 44 3HZ LYS 4 3HZ LYS 4 -27.531 3.019 6.067 45 H HIS 5 H HIS 5 -26.948 -3.057 3.548 46 HA HIS 5 HA HIS 5 -24.871 -4.870 3.585 47 1HB HIS 5 1HB HIS 5 -25.613 -5.294 1.118 48 2HB HIS 5 2HB HIS 5 -26.746 -5.609 2.428 49 HD1 HIS 5 HD1 HIS 5 -28.978 -4.566 2.173 50 HD2 HIS 5 HD2 HIS 5 -26.084 -2.619 -0.089 51 HE1 HIS 5 HE1 HIS 5 -30.218 -2.820 0.853 52 HE2 HIS 5 HE2 HIS 5 -28.447 -1.652 -0.509 53 H HIS 6 H HIS 6 -25.209 -1.935 1.656 54 HA HIS 6 HA HIS 6 -22.946 -2.282 0.028 55 1HB HIS 6 1HB HIS 6 -24.943 -0.404 0.228 56 2HB HIS 6 2HB HIS 6 -23.535 0.496 0.781 57 HD1 HIS 6 HD1 HIS 6 -23.332 -2.122 -1.912 58 HD2 HIS 6 HD2 HIS 6 -23.278 2.016 -1.520 59 HE1 HIS 6 HE1 HIS 6 -22.655 -1.242 -4.168 60 HE2 HIS 6 HE2 HIS 6 -22.629 1.265 -3.908 61 H GLU 7 H GLU 7 -23.346 -0.841 3.228 62 HA GLU 7 HA GLU 7 -20.709 0.171 3.434 63 1HB GLU 7 1HB GLU 7 -22.844 0.669 4.868 64 2HB GLU 7 2HB GLU 7 -22.287 -0.691 5.833 65 1HG GLU 7 1HG GLU 7 -20.726 0.531 6.824 66 2HG GLU 7 2HG GLU 7 -20.151 1.179 5.288 67 H ASN 8 H ASN 8 -22.134 -2.952 3.982 68 HA ASN 8 HA ASN 8 -20.075 -4.074 5.558 69 1HB ASN 8 1HB ASN 8 -22.479 -4.987 4.248 70 2HB ASN 8 2HB ASN 8 -21.170 -6.133 3.977 71 2HD2 ASN 8 2HD2 ASN 8 -23.356 -6.861 5.422 72 1HD2 ASN 8 1HD2 ASN 8 -22.928 -7.054 7.085 73 H GLU 9 H GLU 9 -20.680 -4.068 2.059 74 HA GLU 9 HA GLU 9 -18.482 -5.606 1.287 75 1HB GLU 9 1HB GLU 9 -20.522 -4.239 -0.011 76 2HB GLU 9 2HB GLU 9 -19.062 -3.432 -0.569 77 1HG GLU 9 1HG GLU 9 -19.245 -5.068 -2.137 78 2HG GLU 9 2HG GLU 9 -18.233 -5.890 -0.952 79 H ILE 10 H ILE 10 -18.759 -2.039 1.437 80 HA ILE 10 HA ILE 10 -16.063 -1.554 0.822 81 HB ILE 10 HB ILE 10 -16.376 0.681 1.614 82 1HG1 ILE 10 1HG1 ILE 10 -18.900 -0.331 2.942 83 2HG1 ILE 10 2HG1 ILE 10 -17.439 0.207 3.767 84 1HG2 ILE 10 1HG2 ILE 10 -18.597 -0.609 0.124 85 2HG2 ILE 10 2HG2 ILE 10 -18.765 1.085 0.581 86 3HG2 ILE 10 3HG2 ILE 10 -17.403 0.570 -0.417 87 1HD1 ILE 10 1HD1 ILE 10 -18.252 2.287 2.036 88 2HD1 ILE 10 2HD1 ILE 10 -19.674 1.736 2.923 89 3HD1 ILE 10 3HD1 ILE 10 -18.238 2.265 3.800 90 H SER 11 H SER 11 -17.604 -2.612 3.724 91 HA SER 11 HA SER 11 -15.701 -1.794 5.621 92 1HB SER 11 1HB SER 11 -18.055 -3.069 5.823 93 2HB SER 11 2HB SER 11 -16.983 -4.463 5.951 94 HG SER 11 HG SER 11 -17.061 -2.165 7.603 95 H HIS 12 H HIS 12 -15.958 -4.721 3.630 96 HA HIS 12 HA HIS 12 -13.588 -5.918 4.624 97 1HB HIS 12 1HB HIS 12 -14.523 -7.635 3.528 98 2HB HIS 12 2HB HIS 12 -15.650 -6.554 2.729 99 HD1 HIS 12 HD1 HIS 12 -12.116 -7.876 2.231 100 HD2 HIS 12 HD2 HIS 12 -15.352 -6.460 0.043 101 HE1 HIS 12 HE1 HIS 12 -11.487 -8.199 -0.183 102 HE2 HIS 12 HE2 HIS 12 -13.460 -7.337 -1.492 103 H HIS 13 H HIS 13 -14.270 -3.622 2.066 104 HA HIS 13 HA HIS 13 -11.664 -3.728 0.883 105 1HB HIS 13 1HB HIS 13 -13.626 -1.440 0.721 106 2HB HIS 13 2HB HIS 13 -12.330 -1.818 -0.405 107 HD1 HIS 13 HD1 HIS 13 -13.070 -4.914 -0.619 108 HD2 HIS 13 HD2 HIS 13 -15.650 -1.696 -1.101 109 HE1 HIS 13 HE1 HIS 13 -14.955 -5.774 -2.047 110 HE2 HIS 13 HE2 HIS 13 -16.509 -3.810 -2.326 111 H ALA 14 H ALA 14 -12.955 -2.259 3.694 112 HA ALA 14 HA ALA 14 -11.067 -0.093 3.821 113 1HB ALA 14 1HB ALA 14 -13.450 -0.817 5.177 114 2HB ALA 14 2HB ALA 14 -12.537 0.688 5.292 115 3HB ALA 14 3HB ALA 14 -12.173 -0.651 6.382 116 H LYS 15 H LYS 15 -11.416 -3.297 5.255 117 HA LYS 15 HA LYS 15 -9.050 -3.024 6.868 118 1HB LYS 15 1HB LYS 15 -11.222 -4.683 6.962 119 2HB LYS 15 2HB LYS 15 -10.003 -5.746 6.275 120 1HG LYS 15 1HG LYS 15 -8.705 -5.709 8.168 121 2HG LYS 15 2HG LYS 15 -9.332 -4.148 8.697 122 1HD LYS 15 1HD LYS 15 -10.836 -5.162 9.982 123 2HD LYS 15 2HD LYS 15 -11.484 -6.019 8.582 124 1HE LYS 15 1HE LYS 15 -10.122 -7.873 8.932 125 2HE LYS 15 2HE LYS 15 -8.983 -6.967 9.928 126 1HZ LYS 15 1HZ LYS 15 -10.744 -6.803 11.631 127 2HZ LYS 15 2HZ LYS 15 -11.727 -7.806 10.688 128 3HZ LYS 15 3HZ LYS 15 -10.274 -8.398 11.320 129 H GLU 16 H GLU 16 -9.804 -4.046 3.652 130 HA GLU 16 HA GLU 16 -7.351 -5.498 3.246 131 1HB GLU 16 1HB GLU 16 -9.777 -4.910 1.701 132 2HB GLU 16 2HB GLU 16 -8.309 -4.949 0.735 133 1HG GLU 16 1HG GLU 16 -9.275 -7.121 0.704 134 2HG GLU 16 2HG GLU 16 -7.814 -7.189 1.690 135 H ILE 17 H ILE 17 -8.597 -2.269 2.530 136 HA ILE 17 HA ILE 17 -6.291 -1.487 1.004 137 HB ILE 17 HB ILE 17 -8.502 -0.472 0.648 138 1HG1 ILE 17 1HG1 ILE 17 -6.370 0.740 0.103 139 2HG1 ILE 17 2HG1 ILE 17 -7.771 1.772 0.331 140 1HG2 ILE 17 1HG2 ILE 17 -8.881 -0.458 3.247 141 2HG2 ILE 17 2HG2 ILE 17 -8.231 1.174 3.115 142 3HG2 ILE 17 3HG2 ILE 17 -9.673 0.723 2.205 143 1HD1 ILE 17 1HD1 ILE 17 -6.664 1.687 2.838 144 2HD1 ILE 17 2HD1 ILE 17 -5.258 1.705 1.773 145 3HD1 ILE 17 3HD1 ILE 17 -6.470 2.981 1.657 146 H GLU 18 H GLU 18 -7.319 -1.231 4.357 147 HA GLU 18 HA GLU 18 -5.166 0.528 5.092 148 1HB GLU 18 1HB GLU 18 -7.257 0.596 6.336 149 2HB GLU 18 2HB GLU 18 -7.079 -1.096 6.780 150 1HG GLU 18 1HG GLU 18 -4.852 -0.314 7.853 151 2HG GLU 18 2HG GLU 18 -5.583 1.288 7.773 152 H ARG 19 H ARG 19 -5.690 -2.900 4.925 153 HA ARG 19 HA ARG 19 -3.437 -3.575 6.585 154 1HB ARG 19 1HB ARG 19 -5.360 -5.071 6.459 155 2HB ARG 19 2HB ARG 19 -5.110 -5.276 4.731 156 1HG ARG 19 1HG ARG 19 -2.719 -6.068 5.549 157 2HG ARG 19 2HG ARG 19 -3.627 -6.437 7.017 158 1HD ARG 19 1HD ARG 19 -5.284 -7.624 5.471 159 2HD ARG 19 2HD ARG 19 -4.023 -7.519 4.244 160 HE ARG 19 HE ARG 19 -2.853 -9.159 5.342 161 1HH1 ARG 19 1HH1 ARG 19 -5.395 -7.966 7.402 162 2HH1 ARG 19 2HH1 ARG 19 -5.185 -9.203 8.596 163 1HH2 ARG 19 1HH2 ARG 19 -2.568 -10.794 6.906 164 2HH2 ARG 19 2HH2 ARG 19 -3.578 -10.811 8.314 165 H LEU 20 H LEU 20 -4.062 -3.233 3.127 166 HA LEU 20 HA LEU 20 -1.518 -4.357 2.402 167 1HB LEU 20 1HB LEU 20 -3.592 -2.864 0.801 168 2HB LEU 20 2HB LEU 20 -2.135 -3.557 0.116 169 HG LEU 20 HG LEU 20 -4.252 -5.170 1.536 170 1HD1 LEU 20 1HD1 LEU 20 -3.886 -4.491 -1.362 171 2HD1 LEU 20 2HD1 LEU 20 -4.716 -5.959 -0.847 172 3HD1 LEU 20 3HD1 LEU 20 -5.343 -4.381 -0.374 173 1HD2 LEU 20 1HD2 LEU 20 -2.001 -6.150 1.531 174 2HD2 LEU 20 2HD2 LEU 20 -3.127 -7.075 0.537 175 3HD2 LEU 20 3HD2 LEU 20 -1.951 -6.005 -0.225 176 H GLN 21 H GLN 21 -2.808 -1.233 3.182 177 HA GLN 21 HA GLN 21 -0.653 0.272 2.024 178 1HB GLN 21 1HB GLN 21 -2.724 1.438 2.330 179 2HB GLN 21 2HB GLN 21 -2.815 0.966 4.021 180 1HG GLN 21 1HG GLN 21 -1.782 2.826 4.611 181 2HG GLN 21 2HG GLN 21 -0.392 2.395 3.618 182 2HE2 GLN 21 2HE2 GLN 21 -0.661 2.869 1.254 183 1HE2 GLN 21 1HE2 GLN 21 -1.427 4.359 0.833 184 H LYS 22 H LYS 22 -1.443 -1.060 5.185 185 HA LYS 22 HA LYS 22 0.651 0.121 6.643 186 1HB LYS 22 1HB LYS 22 -1.207 -0.953 7.773 187 2HB LYS 22 2HB LYS 22 -0.789 -2.504 7.057 188 1HG LYS 22 1HG LYS 22 1.502 -2.067 8.285 189 2HG LYS 22 2HG LYS 22 0.489 -1.042 9.303 190 1HD LYS 22 1HD LYS 22 0.465 -3.139 10.356 191 2HD LYS 22 2HD LYS 22 -1.067 -3.059 9.485 192 1HE LYS 22 1HE LYS 22 0.023 -4.313 7.618 193 2HE LYS 22 2HE LYS 22 1.434 -4.521 8.655 194 1HZ LYS 22 1HZ LYS 22 -0.029 -5.641 10.272 195 2HZ LYS 22 2HZ LYS 22 -1.308 -5.538 9.168 196 3HZ LYS 22 3HZ LYS 22 0.060 -6.459 8.793 197 H GLU 23 H GLU 23 0.426 -2.988 4.938 198 HA GLU 23 HA GLU 23 2.982 -3.939 5.568 199 1HB GLU 23 1HB GLU 23 0.879 -4.954 4.209 200 2HB GLU 23 2HB GLU 23 1.937 -4.552 2.864 201 1HG GLU 23 1HG GLU 23 3.007 -6.453 3.196 202 2HG GLU 23 2HG GLU 23 3.555 -5.836 4.754 203 H ILE 24 H ILE 24 1.882 -2.130 2.694 204 HA ILE 24 HA ILE 24 4.453 -1.913 1.545 205 HB ILE 24 HB ILE 24 2.491 -1.575 0.187 206 1HG1 ILE 24 1HG1 ILE 24 4.747 -0.307 -0.166 207 2HG1 ILE 24 2HG1 ILE 24 3.359 0.071 -1.172 208 1HG2 ILE 24 1HG2 ILE 24 1.134 -0.503 1.992 209 2HG2 ILE 24 2HG2 ILE 24 1.955 1.006 1.604 210 3HG2 ILE 24 3HG2 ILE 24 0.972 0.197 0.383 211 1HD1 ILE 24 1HD1 ILE 24 3.545 1.690 1.254 212 2HD1 ILE 24 2HD1 ILE 24 4.888 1.895 0.136 213 3HD1 ILE 24 3HD1 ILE 24 3.238 2.169 -0.414 214 H GLU 25 H GLU 25 2.984 -0.295 4.179 215 HA GLU 25 HA GLU 25 4.463 2.137 4.040 216 1HB GLU 25 1HB GLU 25 2.311 1.607 5.387 217 2HB GLU 25 2HB GLU 25 3.407 0.940 6.589 218 1HG GLU 25 1HG GLU 25 4.545 3.108 6.732 219 2HG GLU 25 2HG GLU 25 3.404 3.770 5.562 220 H ARG 26 H ARG 26 4.913 -0.991 5.598 221 HA ARG 26 HA ARG 26 7.223 -0.305 7.082 222 1HB ARG 26 1HB ARG 26 5.940 -2.860 6.210 223 2HB ARG 26 2HB ARG 26 7.581 -2.913 6.839 224 1HG ARG 26 1HG ARG 26 6.930 -2.192 8.950 225 2HG ARG 26 2HG ARG 26 5.398 -1.543 8.360 226 1HD ARG 26 1HD ARG 26 4.583 -3.457 9.246 227 2HD ARG 26 2HD ARG 26 5.080 -4.120 7.690 228 HE ARG 26 HE ARG 26 7.165 -4.225 9.643 229 1HH1 ARG 26 1HH1 ARG 26 4.286 -5.815 8.497 230 2HH1 ARG 26 2HH1 ARG 26 4.751 -7.372 9.097 231 1HH2 ARG 26 1HH2 ARG 26 7.787 -6.270 10.436 232 2HH2 ARG 26 2HH2 ARG 26 6.741 -7.631 10.200 233 H HIS 27 H HIS 27 6.789 -1.902 3.928 234 HA HIS 27 HA HIS 27 9.554 -2.134 3.373 235 1HB HIS 27 1HB HIS 27 7.028 -2.571 1.942 236 2HB HIS 27 2HB HIS 27 8.349 -2.051 0.901 237 HD1 HIS 27 HD1 HIS 27 10.704 -3.551 1.658 238 HD2 HIS 27 HD2 HIS 27 6.930 -5.260 1.982 239 HE1 HIS 27 HE1 HIS 27 11.090 -6.037 1.668 240 HE2 HIS 27 HE2 HIS 27 8.792 -7.051 1.866 241 H LYS 28 H LYS 28 7.289 0.461 3.150 242 HA LYS 28 HA LYS 28 8.794 2.017 1.272 243 1HB LYS 28 1HB LYS 28 6.362 2.274 1.464 244 2HB LYS 28 2HB LYS 28 6.549 2.819 3.127 245 1HG LYS 28 1HG LYS 28 8.200 4.483 1.607 246 2HG LYS 28 2HG LYS 28 6.705 4.318 0.685 247 1HD LYS 28 1HD LYS 28 6.896 5.110 3.591 248 2HD LYS 28 2HD LYS 28 6.624 6.217 2.243 249 1HE LYS 28 1HE LYS 28 4.738 4.079 2.092 250 2HE LYS 28 2HE LYS 28 4.712 4.751 3.722 251 1HZ LYS 28 1HZ LYS 28 4.648 6.548 1.390 252 2HZ LYS 28 2HZ LYS 28 3.228 5.785 1.905 253 3HZ LYS 28 3HZ LYS 28 4.066 6.810 2.956 254 H GLN 29 H GLN 29 8.789 1.563 4.694 255 HA GLN 29 HA GLN 29 10.164 4.018 5.287 256 1HB GLN 29 1HB GLN 29 8.723 2.940 6.960 257 2HB GLN 29 2HB GLN 29 9.778 1.533 6.969 258 1HG GLN 29 1HG GLN 29 11.627 3.061 7.720 259 2HG GLN 29 2HG GLN 29 10.400 4.309 7.936 260 2HE2 GLN 29 2HE2 GLN 29 10.670 0.847 8.690 261 1HE2 GLN 29 1HE2 GLN 29 10.190 0.997 10.343 262 H SER 30 H SER 30 11.036 0.646 4.770 263 HA SER 30 HA SER 30 13.789 0.992 5.462 264 1HB SER 30 1HB SER 30 12.063 -1.179 4.639 265 2HB SER 30 2HB SER 30 13.587 -1.229 3.752 266 HG SER 30 HG SER 30 14.267 -2.160 5.518 267 H ILE 31 H ILE 31 11.972 0.916 2.420 268 HA ILE 31 HA ILE 31 14.285 1.220 0.767 269 HB ILE 31 HB ILE 31 12.265 0.184 -0.116 270 1HG1 ILE 31 1HG1 ILE 31 11.921 1.750 -2.148 271 2HG1 ILE 31 2HG1 ILE 31 13.155 2.760 -1.395 272 1HG2 ILE 31 1HG2 ILE 31 10.899 2.073 1.264 273 2HG2 ILE 31 2HG2 ILE 31 10.757 2.689 -0.383 274 3HG2 ILE 31 3HG2 ILE 31 10.201 1.060 0.001 275 1HD1 ILE 31 1HD1 ILE 31 14.303 0.279 -1.346 276 2HD1 ILE 31 2HD1 ILE 31 13.407 0.267 -2.865 277 3HD1 ILE 31 3HD1 ILE 31 14.599 1.530 -2.554 278 H LYS 32 H LYS 32 12.055 3.398 2.347 279 HA LYS 32 HA LYS 32 12.945 5.719 0.888 280 1HB LYS 32 1HB LYS 32 10.662 5.598 1.790 281 2HB LYS 32 2HB LYS 32 11.308 5.504 3.421 282 1HG LYS 32 1HG LYS 32 12.374 7.748 3.007 283 2HG LYS 32 2HG LYS 32 11.417 7.831 1.527 284 1HD LYS 32 1HD LYS 32 10.228 8.998 3.246 285 2HD LYS 32 2HD LYS 32 9.372 7.490 2.916 286 1HE LYS 32 1HE LYS 32 11.365 7.117 4.965 287 2HE LYS 32 2HE LYS 32 10.266 8.428 5.392 288 1HZ LYS 32 1HZ LYS 32 9.107 5.942 4.373 289 2HZ LYS 32 2HZ LYS 32 9.713 5.940 5.952 290 3HZ LYS 32 3HZ LYS 32 8.495 7.029 5.515 291 H LYS 33 H LYS 33 13.913 3.976 3.702 292 HA LYS 33 HA LYS 33 15.343 6.119 4.946 293 1HB LYS 33 1HB LYS 33 14.505 4.231 6.259 294 2HB LYS 33 2HB LYS 33 15.530 3.128 5.352 295 1HG LYS 33 1HG LYS 33 17.476 3.915 6.350 296 2HG LYS 33 2HG LYS 33 16.711 5.417 6.875 297 1HD LYS 33 1HD LYS 33 15.974 2.689 7.926 298 2HD LYS 33 2HD LYS 33 17.128 3.770 8.710 299 1HE LYS 33 1HE LYS 33 15.512 5.101 9.525 300 2HE LYS 33 2HE LYS 33 14.558 5.013 8.046 301 1HZ LYS 33 1HZ LYS 33 14.230 2.550 8.980 302 2HZ LYS 33 2HZ LYS 33 14.417 3.378 10.443 303 3HZ LYS 33 3HZ LYS 33 13.193 3.829 9.365 304 H LEU 34 H LEU 34 16.193 3.433 2.788 305 HA LEU 34 HA LEU 34 19.000 4.062 2.869 306 1HB LEU 34 1HB LEU 34 17.452 1.893 2.026 307 2HB LEU 34 2HB LEU 34 18.177 2.526 0.561 308 HG LEU 34 HG LEU 34 19.649 0.852 1.342 309 1HD1 LEU 34 1HD1 LEU 34 20.445 3.597 1.362 310 2HD1 LEU 34 2HD1 LEU 34 21.404 2.690 2.531 311 3HD1 LEU 34 3HD1 LEU 34 21.350 2.175 0.844 312 1HD2 LEU 34 1HD2 LEU 34 18.807 1.804 3.952 313 2HD2 LEU 34 2HD2 LEU 34 19.432 0.229 3.467 314 3HD2 LEU 34 3HD2 LEU 34 20.548 1.539 3.854 315 H LYS 35 H LYS 35 16.252 4.897 0.894 316 HA LYS 35 HA LYS 35 17.797 6.022 -1.248 317 1HB LYS 35 1HB LYS 35 15.550 5.161 -1.662 318 2HB LYS 35 2HB LYS 35 14.872 6.329 -0.537 319 1HG LYS 35 1HG LYS 35 16.307 7.866 -2.349 320 2HG LYS 35 2HG LYS 35 15.528 6.624 -3.331 321 1HD LYS 35 1HD LYS 35 14.133 8.406 -1.334 322 2HD LYS 35 2HD LYS 35 14.126 8.630 -3.085 323 1HE LYS 35 1HE LYS 35 13.120 6.344 -3.283 324 2HE LYS 35 2HE LYS 35 12.963 6.329 -1.526 325 1HZ LYS 35 1HZ LYS 35 11.680 8.480 -1.831 326 2HZ LYS 35 2HZ LYS 35 11.594 8.084 -3.472 327 3HZ LYS 35 3HZ LYS 35 10.907 7.057 -2.316 328 H GLN 36 H GLN 36 16.443 7.156 1.756 329 HA GLN 36 HA GLN 36 16.856 9.948 1.092 330 1HB GLN 36 1HB GLN 36 15.827 8.483 3.503 331 2HB GLN 36 2HB GLN 36 16.267 10.181 3.615 332 1HG GLN 36 1HG GLN 36 14.666 10.712 1.848 333 2HG GLN 36 2HG GLN 36 14.222 9.009 1.744 334 2HE2 GLN 36 2HE2 GLN 36 12.108 10.241 2.145 335 1HE2 GLN 36 1HE2 GLN 36 11.610 10.353 3.795 336 H SER 37 H SER 37 18.504 7.377 2.742 337 HA SER 37 HA SER 37 20.424 9.136 4.004 338 1HB SER 37 1HB SER 37 20.455 6.117 3.759 339 2HB SER 37 2HB SER 37 21.462 7.090 4.832 340 HG SER 37 HG SER 37 19.464 6.102 5.728 341 H GLU 38 H GLU 38 20.091 7.362 1.054 342 HA GLU 38 HA GLU 38 22.903 7.399 0.411 343 1HB GLU 38 1HB GLU 38 21.318 5.625 -0.385 344 2HB GLU 38 2HB GLU 38 20.564 6.834 -1.416 345 1HG GLU 38 1HG GLU 38 22.467 7.035 -2.765 346 2HG GLU 38 2HG GLU 38 23.493 6.222 -1.584 347 H ASP 39 H ASP 39 20.150 9.450 -0.052 348 HA ASP 39 HA ASP 39 21.863 11.387 -1.423 349 1HB ASP 39 1HB ASP 39 19.046 10.847 -2.364 350 2HB ASP 39 2HB ASP 39 20.265 11.863 -3.130 351 H ASP 40 H ASP 40 21.017 11.271 1.289 352 HA ASP 40 HA ASP 40 18.769 12.708 1.974 353 1HB ASP 40 1HB ASP 40 20.906 11.693 3.346 354 2HB ASP 40 2HB ASP 40 21.156 13.425 3.540 355 H ASP 41 H ASP 41 18.277 14.871 2.268 356 HA ASP 41 HA ASP 41 19.566 16.687 0.465 357 1HB ASP 41 1HB ASP 41 17.068 16.542 1.870 358 2HB ASP 41 2HB ASP 41 17.806 18.114 2.161 359 H1 ALA 1 H1 ALA 1 24.837 8.746 -5.129 360 H2 ALA 1 H2 ALA 1 23.143 8.475 -5.093 361 H3 ALA 1 H3 ALA 1 24.071 8.311 -3.660 362 HA ALA 1 HA ALA 1 23.834 6.178 -4.222 363 1HB ALA 1 1HB ALA 1 23.246 7.300 -6.795 364 2HB ALA 1 2HB ALA 1 24.336 5.924 -6.968 365 3HB ALA 1 3HB ALA 1 22.796 5.729 -6.130 366 H LEU 2 H LEU 2 25.696 5.598 -3.254 367 HA LEU 2 HA LEU 2 28.097 5.498 -4.937 368 1HB LEU 2 1HB LEU 2 28.226 6.223 -2.020 369 2HB LEU 2 2HB LEU 2 29.514 6.294 -3.209 370 HG LEU 2 HG LEU 2 27.387 7.991 -4.080 371 1HD1 LEU 2 1HD1 LEU 2 26.895 7.900 -1.571 372 2HD1 LEU 2 2HD1 LEU 2 28.401 8.799 -1.377 373 3HD1 LEU 2 3HD1 LEU 2 27.077 9.488 -2.317 374 1HD2 LEU 2 1HD2 LEU 2 29.949 8.010 -4.448 375 2HD2 LEU 2 2HD2 LEU 2 29.088 9.545 -4.328 376 3HD2 LEU 2 3HD2 LEU 2 29.991 8.929 -2.944 377 H LYS 3 H LYS 3 26.039 3.541 -4.044 378 HA LYS 3 HA LYS 3 27.911 1.544 -3.013 379 1HB LYS 3 1HB LYS 3 25.140 1.943 -1.871 380 2HB LYS 3 2HB LYS 3 26.290 0.700 -1.398 381 1HG LYS 3 1HG LYS 3 27.116 2.058 0.135 382 2HG LYS 3 2HG LYS 3 27.591 3.195 -1.129 383 1HD LYS 3 1HD LYS 3 24.854 3.579 -0.839 384 2HD LYS 3 2HD LYS 3 25.447 3.372 0.810 385 1HE LYS 3 1HE LYS 3 27.287 5.048 0.099 386 2HE LYS 3 2HE LYS 3 26.188 5.445 -1.221 387 1HZ LYS 3 1HZ LYS 3 25.525 5.587 1.671 388 2HZ LYS 3 2HZ LYS 3 25.876 6.910 0.677 389 3HZ LYS 3 3HZ LYS 3 24.486 5.988 0.397 390 H LYS 4 H LYS 4 27.563 -0.520 -3.758 391 HA LYS 4 HA LYS 4 25.605 -0.749 -5.923 392 1HB LYS 4 1HB LYS 4 28.172 -2.139 -5.267 393 2HB LYS 4 2HB LYS 4 26.990 -2.958 -6.277 394 1HG LYS 4 1HG LYS 4 28.654 -1.802 -7.619 395 2HG LYS 4 2HG LYS 4 27.047 -1.115 -7.865 396 1HD LYS 4 1HD LYS 4 28.551 0.164 -5.711 397 2HD LYS 4 2HD LYS 4 29.320 0.309 -7.292 398 1HE LYS 4 1HE LYS 4 27.160 1.142 -8.199 399 2HE LYS 4 2HE LYS 4 26.510 1.120 -6.561 400 1HZ LYS 4 1HZ LYS 4 28.999 2.528 -6.751 401 2HZ LYS 4 2HZ LYS 4 27.798 3.205 -7.733 402 3HZ LYS 4 3HZ LYS 4 27.530 3.022 -6.074 403 H HIS 5 H HIS 5 26.950 -3.056 -3.555 404 HA HIS 5 HA HIS 5 24.873 -4.868 -3.593 405 1HB HIS 5 1HB HIS 5 25.616 -5.294 -1.126 406 2HB HIS 5 2HB HIS 5 26.749 -5.607 -2.437 407 HD1 HIS 5 HD1 HIS 5 28.980 -4.562 -2.179 408 HD2 HIS 5 HD2 HIS 5 26.086 -2.619 0.082 409 HE1 HIS 5 HE1 HIS 5 30.218 -2.817 -0.859 410 HE2 HIS 5 HE2 HIS 5 28.448 -1.652 0.503 411 H HIS 6 H HIS 6 25.210 -1.934 -1.663 412 HA HIS 6 HA HIS 6 22.949 -2.282 -0.034 413 1HB HIS 6 1HB HIS 6 24.944 -0.404 -0.234 414 2HB HIS 6 2HB HIS 6 23.535 0.496 -0.785 415 HD1 HIS 6 HD1 HIS 6 23.335 -2.124 1.906 416 HD2 HIS 6 HD2 HIS 6 23.279 2.013 1.517 417 HE1 HIS 6 HE1 HIS 6 22.658 -1.246 4.164 418 HE2 HIS 6 HE2 HIS 6 22.631 1.260 3.906 419 H GLU 7 H GLU 7 23.347 -0.840 -3.232 420 HA GLU 7 HA GLU 7 20.709 0.173 -3.438 421 1HB GLU 7 1HB GLU 7 22.844 0.671 -4.872 422 2HB GLU 7 2HB GLU 7 22.286 -0.689 -5.837 423 1HG GLU 7 1HG GLU 7 20.725 0.534 -6.827 424 2HG GLU 7 2HG GLU 7 20.151 1.181 -5.291 425 H ASN 8 H ASN 8 22.136 -2.950 -3.989 426 HA ASN 8 HA ASN 8 20.075 -4.072 -5.564 427 1HB ASN 8 1HB ASN 8 22.481 -4.983 -4.257 428 2HB ASN 8 2HB ASN 8 21.174 -6.131 -3.983 429 2HD2 ASN 8 2HD2 ASN 8 23.355 -6.862 -5.431 430 1HD2 ASN 8 1HD2 ASN 8 22.925 -7.055 -7.093 431 H GLU 9 H GLU 9 20.683 -4.067 -2.065 432 HA GLU 9 HA GLU 9 18.484 -5.605 -1.292 433 1HB GLU 9 1HB GLU 9 20.525 -4.239 0.005 434 2HB GLU 9 2HB GLU 9 19.067 -3.431 0.563 435 1HG GLU 9 1HG GLU 9 19.251 -5.066 2.132 436 2HG GLU 9 2HG GLU 9 18.235 -5.887 0.948 437 H ILE 10 H ILE 10 18.762 -2.038 -1.439 438 HA ILE 10 HA ILE 10 16.065 -1.555 -0.823 439 HB ILE 10 HB ILE 10 16.377 0.681 -1.614 440 1HG1 ILE 10 1HG1 ILE 10 18.901 -0.330 -2.945 441 2HG1 ILE 10 2HG1 ILE 10 17.441 0.211 -3.767 442 1HG2 ILE 10 1HG2 ILE 10 18.598 -0.609 -0.125 443 2HG2 ILE 10 2HG2 ILE 10 18.766 1.085 -0.582 444 3HG2 ILE 10 3HG2 ILE 10 17.404 0.570 0.416 445 1HD1 ILE 10 1HD1 ILE 10 18.256 2.287 -2.033 446 2HD1 ILE 10 2HD1 ILE 10 19.676 1.737 -2.924 447 3HD1 ILE 10 3HD1 ILE 10 18.239 2.269 -3.798 448 H SER 11 H SER 11 17.605 -2.611 -3.727 449 HA SER 11 HA SER 11 15.702 -1.794 -5.623 450 1HB SER 11 1HB SER 11 18.056 -3.068 -5.827 451 2HB SER 11 2HB SER 11 16.984 -4.463 -5.954 452 HG SER 11 HG SER 11 17.054 -2.163 -7.605 453 H HIS 12 H HIS 12 15.960 -4.723 -3.636 454 HA HIS 12 HA HIS 12 13.589 -5.918 -4.629 455 1HB HIS 12 1HB HIS 12 14.524 -7.635 -3.535 456 2HB HIS 12 2HB HIS 12 15.651 -6.556 -2.736 457 HD1 HIS 12 HD1 HIS 12 12.118 -7.876 -2.235 458 HD2 HIS 12 HD2 HIS 12 15.355 -6.462 -0.049 459 HE1 HIS 12 HE1 HIS 12 11.490 -8.202 0.179 460 HE2 HIS 12 HE2 HIS 12 13.465 -7.341 1.487 461 H HIS 13 H HIS 13 14.271 -3.622 -2.070 462 HA HIS 13 HA HIS 13 11.665 -3.730 -0.887 463 1HB HIS 13 1HB HIS 13 13.626 -1.441 -0.723 464 2HB HIS 13 2HB HIS 13 12.331 -1.821 0.402 465 HD1 HIS 13 HD1 HIS 13 13.075 -4.917 0.613 466 HD2 HIS 13 HD2 HIS 13 15.650 -1.697 1.099 467 HE1 HIS 13 HE1 HIS 13 14.961 -5.778 2.040 468 HE2 HIS 13 HE2 HIS 13 16.513 -3.812 2.322 469 H ALA 14 H ALA 14 12.955 -2.258 -3.698 470 HA ALA 14 HA ALA 14 11.068 -0.092 -3.823 471 1HB ALA 14 1HB ALA 14 13.449 -0.814 -5.181 472 2HB ALA 14 2HB ALA 14 12.170 -0.652 -6.385 473 3HB ALA 14 3HB ALA 14 12.533 0.688 -5.298 474 H LYS 15 H LYS 15 11.414 -3.299 -5.253 475 HA LYS 15 HA LYS 15 9.046 -3.025 -6.866 476 1HB LYS 15 1HB LYS 15 11.219 -4.686 -6.958 477 2HB LYS 15 2HB LYS 15 9.996 -5.748 -6.273 478 1HG LYS 15 1HG LYS 15 8.701 -5.708 -8.166 479 2HG LYS 15 2HG LYS 15 9.330 -4.146 -8.694 480 1HD LYS 15 1HD LYS 15 10.835 -5.160 -9.978 481 2HD LYS 15 2HD LYS 15 11.481 -6.019 -8.579 482 1HE LYS 15 1HE LYS 15 10.121 -7.871 -8.933 483 2HE LYS 15 2HE LYS 15 8.981 -6.965 -9.927 484 1HZ LYS 15 1HZ LYS 15 10.741 -6.796 -11.629 485 2HZ LYS 15 2HZ LYS 15 11.725 -7.801 -10.690 486 3HZ LYS 15 3HZ LYS 15 10.272 -8.391 -11.323 487 H GLU 16 H GLU 16 9.801 -4.042 -3.650 488 HA GLU 16 HA GLU 16 7.347 -5.492 -3.241 489 1HB GLU 16 1HB GLU 16 9.776 -4.901 -1.698 490 2HB GLU 16 2HB GLU 16 8.308 -4.941 -0.731 491 1HG GLU 16 1HG GLU 16 9.277 -7.112 -0.700 492 2HG GLU 16 2HG GLU 16 7.814 -7.182 -1.681 493 H ILE 17 H ILE 17 8.595 -2.262 -2.532 494 HA ILE 17 HA ILE 17 6.289 -1.482 -1.005 495 HB ILE 17 HB ILE 17 8.499 -0.467 -0.642 496 1HG1 ILE 17 1HG1 ILE 17 6.368 0.743 -0.099 497 2HG1 ILE 17 2HG1 ILE 17 7.766 1.778 -0.327 498 1HG2 ILE 17 1HG2 ILE 17 8.837 -0.431 -3.272 499 2HG2 ILE 17 2HG2 ILE 17 8.264 1.223 -3.071 500 3HG2 ILE 17 3HG2 ILE 17 9.695 0.674 -2.200 501 1HD1 ILE 17 1HD1 ILE 17 6.655 1.689 -2.835 502 2HD1 ILE 17 2HD1 ILE 17 5.253 1.713 -1.766 503 3HD1 ILE 17 3HD1 ILE 17 6.468 2.986 -1.655 504 H GLU 18 H GLU 18 7.316 -1.228 -4.358 505 HA GLU 18 HA GLU 18 5.163 0.532 -5.093 506 1HB GLU 18 1HB GLU 18 7.258 0.599 -6.333 507 2HB GLU 18 2HB GLU 18 7.077 -1.092 -6.779 508 1HG GLU 18 1HG GLU 18 4.853 -0.305 -7.854 509 2HG GLU 18 2HG GLU 18 5.589 1.294 -7.773 510 H ARG 19 H ARG 19 5.689 -2.897 -4.926 511 HA ARG 19 HA ARG 19 3.436 -3.571 -6.586 512 1HB ARG 19 1HB ARG 19 5.358 -5.070 -6.464 513 2HB ARG 19 2HB ARG 19 5.111 -5.274 -4.735 514 1HG ARG 19 1HG ARG 19 2.717 -6.064 -5.544 515 2HG ARG 19 2HG ARG 19 3.619 -6.433 -7.017 516 1HD ARG 19 1HD ARG 19 5.281 -7.623 -5.477 517 2HD ARG 19 2HD ARG 19 4.022 -7.519 -4.247 518 HE ARG 19 HE ARG 19 2.849 -9.156 -5.349 519 1HH1 ARG 19 1HH1 ARG 19 5.396 -7.967 -7.405 520 2HH1 ARG 19 2HH1 ARG 19 5.187 -9.205 -8.598 521 1HH2 ARG 19 1HH2 ARG 19 2.565 -10.790 -6.914 522 2HH2 ARG 19 2HH2 ARG 19 3.577 -10.809 -8.319 523 H LEU 20 H LEU 20 4.062 -3.233 -3.127 524 HA LEU 20 HA LEU 20 1.519 -4.358 -2.402 525 1HB LEU 20 1HB LEU 20 3.588 -2.852 -0.804 526 2HB LEU 20 2HB LEU 20 2.131 -3.548 -0.120 527 HG LEU 20 HG LEU 20 4.260 -5.157 -1.527 528 1HD1 LEU 20 1HD1 LEU 20 3.875 -4.468 1.366 529 2HD1 LEU 20 2HD1 LEU 20 4.709 -5.938 0.865 530 3HD1 LEU 20 3HD1 LEU 20 5.338 -4.361 0.388 531 1HD2 LEU 20 1HD2 LEU 20 2.008 -6.141 -1.528 532 2HD2 LEU 20 2HD2 LEU 20 3.137 -7.064 -0.535 533 3HD2 LEU 20 3HD2 LEU 20 1.959 -5.999 0.230 534 H GLN 21 H GLN 21 2.809 -1.229 -3.171 535 HA GLN 21 HA GLN 21 0.649 0.273 -2.023 536 1HB GLN 21 1HB GLN 21 2.717 1.442 -2.328 537 2HB GLN 21 2HB GLN 21 2.813 0.968 -4.016 538 1HG GLN 21 1HG GLN 21 1.779 2.824 -4.613 539 2HG GLN 21 2HG GLN 21 0.387 2.394 -3.621 540 2HE2 GLN 21 2HE2 GLN 21 0.660 2.867 -1.254 541 1HE2 GLN 21 1HE2 GLN 21 1.421 4.361 -0.837 542 H LYS 22 H LYS 22 1.445 -1.056 -5.184 543 HA LYS 22 HA LYS 22 -0.647 0.123 -6.647 544 1HB LYS 22 1HB LYS 22 1.217 -0.955 -7.767 545 2HB LYS 22 2HB LYS 22 0.793 -2.505 -7.056 546 1HG LYS 22 1HG LYS 22 -1.492 -2.059 -8.295 547 2HG LYS 22 2HG LYS 22 -0.470 -1.039 -9.308 548 1HD LYS 22 1HD LYS 22 -0.449 -3.138 -10.358 549 2HD LYS 22 2HD LYS 22 1.080 -3.061 -9.482 550 1HE LYS 22 1HE LYS 22 -0.018 -4.311 -7.618 551 2HE LYS 22 2HE LYS 22 -1.428 -4.513 -8.656 552 1HZ LYS 22 1HZ LYS 22 0.029 -5.643 -10.270 553 2HZ LYS 22 2HZ LYS 22 1.309 -5.540 -9.169 554 3HZ LYS 22 3HZ LYS 22 -0.060 -6.457 -8.790 555 H GLU 23 H GLU 23 -0.427 -2.984 -4.935 556 HA GLU 23 HA GLU 23 -2.984 -3.933 -5.572 557 1HB GLU 23 1HB GLU 23 -0.884 -4.953 -4.218 558 2HB GLU 23 2HB GLU 23 -1.941 -4.555 -2.870 559 1HG GLU 23 1HG GLU 23 -3.021 -6.448 -3.210 560 2HG GLU 23 2HG GLU 23 -3.556 -5.830 -4.772 561 H ILE 24 H ILE 24 -1.885 -2.131 -2.696 562 HA ILE 24 HA ILE 24 -4.457 -1.915 -1.547 563 HB ILE 24 HB ILE 24 -2.493 -1.581 -0.188 564 1HG1 ILE 24 1HG1 ILE 24 -4.750 -0.312 0.164 565 2HG1 ILE 24 2HG1 ILE 24 -3.363 0.058 1.174 566 1HG2 ILE 24 1HG2 ILE 24 -1.133 -0.510 -1.983 567 2HG2 ILE 24 2HG2 ILE 24 -1.965 0.998 -1.615 568 3HG2 ILE 24 3HG2 ILE 24 -0.983 0.207 -0.382 569 1HD1 ILE 24 1HD1 ILE 24 -3.543 1.687 -1.246 570 2HD1 ILE 24 2HD1 ILE 24 -4.886 1.892 -0.125 571 3HD1 ILE 24 3HD1 ILE 24 -3.234 2.159 0.424 572 H GLU 25 H GLU 25 -2.988 -0.296 -4.180 573 HA GLU 25 HA GLU 25 -4.463 2.138 -4.037 574 1HB GLU 25 1HB GLU 25 -2.311 1.604 -5.386 575 2HB GLU 25 2HB GLU 25 -3.412 0.942 -6.588 576 1HG GLU 25 1HG GLU 25 -4.545 3.113 -6.727 577 2HG GLU 25 2HG GLU 25 -3.402 3.770 -5.556 578 H ARG 26 H ARG 26 -4.914 -0.987 -5.599 579 HA ARG 26 HA ARG 26 -7.226 -0.300 -7.082 580 1HB ARG 26 1HB ARG 26 -5.940 -2.855 -6.212 581 2HB ARG 26 2HB ARG 26 -7.582 -2.908 -6.842 582 1HG ARG 26 1HG ARG 26 -6.929 -2.185 -8.952 583 2HG ARG 26 2HG ARG 26 -5.397 -1.538 -8.361 584 1HD ARG 26 1HD ARG 26 -4.583 -3.451 -9.249 585 2HD ARG 26 2HD ARG 26 -5.079 -4.115 -7.692 586 HE ARG 26 HE ARG 26 -7.165 -4.220 -9.645 587 1HH1 ARG 26 1HH1 ARG 26 -4.287 -5.810 -8.497 588 2HH1 ARG 26 2HH1 ARG 26 -4.752 -7.368 -9.095 589 1HH2 ARG 26 1HH2 ARG 26 -7.788 -6.266 -10.435 590 2HH2 ARG 26 2HH2 ARG 26 -6.743 -7.627 -10.197 591 H HIS 27 H HIS 27 -6.787 -1.893 -3.927 592 HA HIS 27 HA HIS 27 -9.554 -2.132 -3.372 593 1HB HIS 27 1HB HIS 27 -7.026 -2.570 -1.945 594 2HB HIS 27 2HB HIS 27 -8.345 -2.049 -0.902 595 HD1 HIS 27 HD1 HIS 27 -10.702 -3.550 -1.656 596 HD2 HIS 27 HD2 HIS 27 -6.927 -5.258 -1.983 597 HE1 HIS 27 HE1 HIS 27 -11.087 -6.035 -1.662 598 HE2 HIS 27 HE2 HIS 27 -8.790 -7.050 -1.860 599 H LYS 28 H LYS 28 -7.288 0.464 -3.149 600 HA LYS 28 HA LYS 28 -8.792 2.021 -1.271 601 1HB LYS 28 1HB LYS 28 -6.360 2.276 -1.471 602 2HB LYS 28 2HB LYS 28 -6.553 2.825 -3.131 603 1HG LYS 28 1HG LYS 28 -8.199 4.486 -1.605 604 2HG LYS 28 2HG LYS 28 -6.704 4.316 -0.683 605 1HD LYS 28 1HD LYS 28 -6.894 5.118 -3.587 606 2HD LYS 28 2HD LYS 28 -6.620 6.219 -2.236 607 1HE LYS 28 1HE LYS 28 -4.736 4.080 -2.090 608 2HE LYS 28 2HE LYS 28 -4.712 4.753 -3.720 609 1HZ LYS 28 1HZ LYS 28 -4.643 6.549 -1.388 610 2HZ LYS 28 2HZ LYS 28 -3.224 5.783 -1.902 611 3HZ LYS 28 3HZ LYS 28 -4.061 6.810 -2.954 612 H GLN 29 H GLN 29 -8.792 1.565 -4.693 613 HA GLN 29 HA GLN 29 -10.170 4.018 -5.285 614 1HB GLN 29 1HB GLN 29 -8.725 2.944 -6.958 615 2HB GLN 29 2HB GLN 29 -9.779 1.536 -6.969 616 1HG GLN 29 1HG GLN 29 -11.629 3.065 -7.719 617 2HG GLN 29 2HG GLN 29 -10.401 4.312 -7.935 618 2HE2 GLN 29 2HE2 GLN 29 -10.670 0.850 -8.688 619 1HE2 GLN 29 1HE2 GLN 29 -10.191 1.000 -10.341 620 H SER 30 H SER 30 -11.037 0.647 -4.765 621 HA SER 30 HA SER 30 -13.789 0.990 -5.460 622 1HB SER 30 1HB SER 30 -12.063 -1.180 -4.638 623 2HB SER 30 2HB SER 30 -13.587 -1.231 -3.751 624 HG SER 30 HG SER 30 -14.269 -2.160 -5.516 625 H ILE 31 H ILE 31 -11.971 0.920 -2.419 626 HA ILE 31 HA ILE 31 -14.283 1.220 -0.764 627 HB ILE 31 HB ILE 31 -12.263 0.185 0.117 628 1HG1 ILE 31 1HG1 ILE 31 -11.918 1.747 2.150 629 2HG1 ILE 31 2HG1 ILE 31 -13.150 2.761 1.397 630 1HG2 ILE 31 1HG2 ILE 31 -10.899 2.076 -1.263 631 2HG2 ILE 31 2HG2 ILE 31 -10.755 2.689 0.384 632 3HG2 ILE 31 3HG2 ILE 31 -10.200 1.060 -0.002 633 1HD1 ILE 31 1HD1 ILE 31 -14.305 0.284 1.347 634 2HD1 ILE 31 2HD1 ILE 31 -13.405 0.266 2.864 635 3HD1 ILE 31 3HD1 ILE 31 -14.594 1.533 2.559 636 H LYS 32 H LYS 32 -12.055 3.399 -2.343 637 HA LYS 32 HA LYS 32 -12.944 5.720 -0.881 638 1HB LYS 32 1HB LYS 32 -10.661 5.599 -1.786 639 2HB LYS 32 2HB LYS 32 -11.308 5.506 -3.417 640 1HG LYS 32 1HG LYS 32 -12.373 7.750 -2.999 641 2HG LYS 32 2HG LYS 32 -11.415 7.832 -1.520 642 1HD LYS 32 1HD LYS 32 -10.227 9.000 -3.241 643 2HD LYS 32 2HD LYS 32 -9.370 7.492 -2.912 644 1HE LYS 32 1HE LYS 32 -11.366 7.119 -4.960 645 2HE LYS 32 2HE LYS 32 -10.267 8.431 -5.387 646 1HZ LYS 32 1HZ LYS 32 -9.105 5.945 -4.368 647 2HZ LYS 32 2HZ LYS 32 -9.714 5.941 -5.947 648 3HZ LYS 32 3HZ LYS 32 -8.497 7.032 -5.514 649 H LYS 33 H LYS 33 -13.911 3.978 -3.698 650 HA LYS 33 HA LYS 33 -15.340 6.120 -4.940 651 1HB LYS 33 1HB LYS 33 -14.504 4.234 -6.254 652 2HB LYS 33 2HB LYS 33 -15.528 3.131 -5.346 653 1HG LYS 33 1HG LYS 33 -17.474 3.915 -6.343 654 2HG LYS 33 2HG LYS 33 -16.713 5.418 -6.868 655 1HD LYS 33 1HD LYS 33 -15.976 2.692 -7.922 656 2HD LYS 33 2HD LYS 33 -17.130 3.775 -8.703 657 1HE LYS 33 1HE LYS 33 -15.513 5.104 -9.521 658 2HE LYS 33 2HE LYS 33 -14.560 5.017 -8.040 659 1HZ LYS 33 1HZ LYS 33 -14.232 2.554 -8.975 660 2HZ LYS 33 2HZ LYS 33 -14.418 3.382 -10.438 661 3HZ LYS 33 3HZ LYS 33 -13.195 3.833 -9.360 662 H LEU 34 H LEU 34 -16.191 3.434 -2.785 663 HA LEU 34 HA LEU 34 -18.998 4.065 -2.865 664 1HB LEU 34 1HB LEU 34 -17.451 1.896 -2.024 665 2HB LEU 34 2HB LEU 34 -18.176 2.526 -0.559 666 HG LEU 34 HG LEU 34 -19.648 0.854 -1.342 667 1HD1 LEU 34 1HD1 LEU 34 -20.444 3.600 -1.358 668 2HD1 LEU 34 2HD1 LEU 34 -21.403 2.693 -2.528 669 3HD1 LEU 34 3HD1 LEU 34 -21.348 2.176 -0.843 670 1HD2 LEU 34 1HD2 LEU 34 -18.806 1.812 -3.951 671 2HD2 LEU 34 2HD2 LEU 34 -19.429 0.234 -3.468 672 3HD2 LEU 34 3HD2 LEU 34 -20.548 1.543 -3.853 673 H LYS 35 H LYS 35 -16.251 4.898 -0.889 674 HA LYS 35 HA LYS 35 -17.793 6.022 1.253 675 1HB LYS 35 1HB LYS 35 -15.547 5.160 1.667 676 2HB LYS 35 2HB LYS 35 -14.870 6.329 0.542 677 1HG LYS 35 1HG LYS 35 -16.304 7.864 2.356 678 2HG LYS 35 2HG LYS 35 -15.524 6.622 3.337 679 1HD LYS 35 1HD LYS 35 -14.131 8.404 1.339 680 2HD LYS 35 2HD LYS 35 -14.123 8.630 3.090 681 1HE LYS 35 1HE LYS 35 -13.118 6.344 3.287 682 2HE LYS 35 2HE LYS 35 -12.959 6.329 1.532 683 1HZ LYS 35 1HZ LYS 35 -11.678 8.480 1.837 684 2HZ LYS 35 2HZ LYS 35 -11.592 8.084 3.479 685 3HZ LYS 35 3HZ LYS 35 -10.904 7.057 2.324 686 H GLN 36 H GLN 36 -16.443 7.157 -1.752 687 HA GLN 36 HA GLN 36 -16.855 9.948 -1.085 688 1HB GLN 36 1HB GLN 36 -15.826 8.484 -3.496 689 2HB GLN 36 2HB GLN 36 -16.267 10.182 -3.608 690 1HG GLN 36 1HG GLN 36 -14.665 10.713 -1.840 691 2HG GLN 36 2HG GLN 36 -14.219 9.010 -1.739 692 2HE2 GLN 36 2HE2 GLN 36 -12.105 10.239 -2.140 693 1HE2 GLN 36 1HE2 GLN 36 -11.608 10.355 -3.791 694 H SER 37 H SER 37 -18.503 7.378 -2.734 695 HA SER 37 HA SER 37 -20.424 9.138 -3.996 696 1HB SER 37 1HB SER 37 -20.455 6.119 -3.752 697 2HB SER 37 2HB SER 37 -21.462 7.092 -4.824 698 HG SER 37 HG SER 37 -19.465 6.103 -5.720 699 H GLU 38 H GLU 38 -20.090 7.363 -1.046 700 HA GLU 38 HA GLU 38 -22.901 7.398 -0.404 701 1HB GLU 38 1HB GLU 38 -21.316 5.626 0.392 702 2HB GLU 38 2HB GLU 38 -20.562 6.834 1.425 703 1HG GLU 38 1HG GLU 38 -22.467 7.034 2.771 704 2HG GLU 38 2HG GLU 38 -23.491 6.218 1.591 705 H ASP 39 H ASP 39 -20.149 9.449 0.061 706 HA ASP 39 HA ASP 39 -21.862 11.386 1.432 707 1HB ASP 39 1HB ASP 39 -19.046 10.846 2.374 708 2HB ASP 39 2HB ASP 39 -20.264 11.863 3.138 709 H ASP 40 H ASP 40 -21.015 11.271 -1.280 710 HA ASP 40 HA ASP 40 -18.768 12.708 -1.965 711 1HB ASP 40 1HB ASP 40 -20.905 11.694 -3.337 712 2HB ASP 40 2HB ASP 40 -21.155 13.426 -3.529 713 H ASP 41 H ASP 41 -18.275 14.872 -2.260 714 HA ASP 41 HA ASP 41 -19.565 16.686 -0.455 715 1HB ASP 41 1HB ASP 41 -17.066 16.543 -1.862 716 2HB ASP 41 2HB ASP 41 -17.806 18.115 -2.151 No H/Q in entry = 716 Start of MODEL 33 1 H1 ALA 1 H1 ALA 1 -34.842 -9.129 0.576 2 H2 ALA 1 H2 ALA 1 -34.415 -10.740 0.173 3 H3 ALA 1 H3 ALA 1 -34.043 -10.119 1.730 4 HA ALA 1 HA ALA 1 -32.107 -10.197 0.392 5 1HB ALA 1 1HB ALA 1 -33.292 -10.049 -1.778 6 2HB ALA 1 2HB ALA 1 -31.916 -8.952 -1.657 7 3HB ALA 1 3HB ALA 1 -33.558 -8.332 -1.478 8 H LEU 2 H LEU 2 -31.263 -9.233 2.190 9 HA LEU 2 HA LEU 2 -31.852 -6.471 2.811 10 1HB LEU 2 1HB LEU 2 -29.894 -8.403 4.057 11 2HB LEU 2 2HB LEU 2 -30.265 -6.806 4.677 12 HG LEU 2 HG LEU 2 -32.645 -7.553 4.963 13 1HD1 LEU 2 1HD1 LEU 2 -31.426 -10.144 4.081 14 2HD1 LEU 2 2HD1 LEU 2 -32.852 -10.103 5.119 15 3HD1 LEU 2 3HD1 LEU 2 -32.904 -9.363 3.519 16 1HD2 LEU 2 1HD2 LEU 2 -30.415 -8.922 6.445 17 2HD2 LEU 2 2HD2 LEU 2 -31.300 -7.468 6.903 18 3HD2 LEU 2 3HD2 LEU 2 -32.104 -9.036 6.939 19 H LYS 3 H LYS 3 -30.275 -4.795 2.917 20 HA LYS 3 HA LYS 3 -28.150 -5.122 0.914 21 1HB LYS 3 1HB LYS 3 -29.956 -2.915 1.655 22 2HB LYS 3 2HB LYS 3 -28.292 -2.435 1.349 23 1HG LYS 3 1HG LYS 3 -29.217 -2.223 -0.736 24 2HG LYS 3 2HG LYS 3 -28.572 -3.864 -0.813 25 1HD LYS 3 1HD LYS 3 -31.137 -4.127 0.262 26 2HD LYS 3 2HD LYS 3 -31.298 -2.949 -1.042 27 1HE LYS 3 1HE LYS 3 -29.636 -4.983 -2.028 28 2HE LYS 3 2HE LYS 3 -30.953 -5.799 -1.187 29 1HZ LYS 3 1HZ LYS 3 -31.498 -3.617 -3.099 30 2HZ LYS 3 2HZ LYS 3 -31.262 -5.201 -3.640 31 3HZ LYS 3 3HZ LYS 3 -32.530 -4.852 -2.576 32 H LYS 4 H LYS 4 -28.035 -5.878 3.800 33 HA LYS 4 HA LYS 4 -26.251 -3.972 5.021 34 1HB LYS 4 1HB LYS 4 -27.282 -6.688 5.796 35 2HB LYS 4 2HB LYS 4 -25.984 -5.923 6.702 36 1HG LYS 4 1HG LYS 4 -27.828 -3.920 6.576 37 2HG LYS 4 2HG LYS 4 -28.850 -5.355 6.675 38 1HD LYS 4 1HD LYS 4 -26.551 -4.818 8.547 39 2HD LYS 4 2HD LYS 4 -28.213 -4.330 8.884 40 1HE LYS 4 1HE LYS 4 -28.840 -6.417 9.415 41 2HE LYS 4 2HE LYS 4 -27.939 -7.127 8.076 42 1HZ LYS 4 1HZ LYS 4 -26.574 -6.128 10.500 43 2HZ LYS 4 2HZ LYS 4 -27.199 -7.697 10.423 44 3HZ LYS 4 3HZ LYS 4 -25.997 -7.211 9.336 45 H HIS 5 H HIS 5 -25.984 -7.014 3.290 46 HA HIS 5 HA HIS 5 -23.336 -7.661 3.867 47 1HB HIS 5 1HB HIS 5 -23.378 -9.014 1.858 48 2HB HIS 5 2HB HIS 5 -24.931 -9.144 2.676 49 HD1 HIS 5 HD1 HIS 5 -24.317 -9.591 -0.449 50 HD2 HIS 5 HD2 HIS 5 -26.121 -6.282 1.301 51 HE1 HIS 5 HE1 HIS 5 -25.676 -8.522 -2.275 52 HE2 HIS 5 HE2 HIS 5 -26.760 -6.522 -1.193 53 H HIS 6 H HIS 6 -24.642 -5.154 1.885 54 HA HIS 6 HA HIS 6 -22.412 -4.727 0.196 55 1HB HIS 6 1HB HIS 6 -24.942 -3.415 0.771 56 2HB HIS 6 2HB HIS 6 -23.647 -2.249 0.520 57 HD1 HIS 6 HD1 HIS 6 -24.076 -5.538 -1.309 58 HD2 HIS 6 HD2 HIS 6 -24.219 -1.448 -2.028 59 HE1 HIS 6 HE1 HIS 6 -24.312 -5.301 -3.802 60 HE2 HIS 6 HE2 HIS 6 -24.397 -2.817 -4.215 61 H GLU 7 H GLU 7 -23.467 -3.002 3.137 62 HA GLU 7 HA GLU 7 -21.234 -1.322 3.323 63 1HB GLU 7 1HB GLU 7 -23.574 -1.616 4.722 64 2HB GLU 7 2HB GLU 7 -22.382 -2.160 5.895 65 1HG GLU 7 1HG GLU 7 -21.644 0.310 4.528 66 2HG GLU 7 2HG GLU 7 -23.130 0.427 5.470 67 H ASN 8 H ASN 8 -21.655 -4.654 4.145 68 HA ASN 8 HA ASN 8 -19.457 -4.868 5.946 69 1HB ASN 8 1HB ASN 8 -21.502 -6.568 4.990 70 2HB ASN 8 2HB ASN 8 -19.976 -7.345 4.580 71 2HD2 ASN 8 2HD2 ASN 8 -22.213 -7.666 6.689 72 1HD2 ASN 8 1HD2 ASN 8 -21.329 -7.932 8.149 73 H GLU 9 H GLU 9 -19.884 -5.593 2.494 74 HA GLU 9 HA GLU 9 -17.279 -6.515 2.013 75 1HB GLU 9 1HB GLU 9 -19.401 -6.573 0.503 76 2HB GLU 9 2HB GLU 9 -18.844 -5.002 -0.055 77 1HG GLU 9 1HG GLU 9 -17.951 -6.455 -1.608 78 2HG GLU 9 2HG GLU 9 -16.608 -6.195 -0.497 79 H ILE 10 H ILE 10 -18.661 -3.256 1.876 80 HA ILE 10 HA ILE 10 -16.259 -2.060 0.931 81 HB ILE 10 HB ILE 10 -17.283 0.041 1.228 82 1HG1 ILE 10 1HG1 ILE 10 -19.308 -1.289 3.043 83 2HG1 ILE 10 2HG1 ILE 10 -18.017 -0.210 3.565 84 1HG2 ILE 10 1HG2 ILE 10 -18.260 -1.307 -0.534 85 2HG2 ILE 10 2HG2 ILE 10 -19.442 -1.962 0.599 86 3HG2 ILE 10 3HG2 ILE 10 -19.473 -0.247 0.187 87 1HD1 ILE 10 1HD1 ILE 10 -19.452 1.146 1.559 88 2HD1 ILE 10 2HD1 ILE 10 -20.636 0.431 2.656 89 3HD1 ILE 10 3HD1 ILE 10 -19.385 1.500 3.288 90 H SER 11 H SER 11 -17.425 -3.015 4.041 91 HA SER 11 HA SER 11 -15.813 -1.315 5.627 92 1HB SER 11 1HB SER 11 -17.787 -2.922 6.298 93 2HB SER 11 2HB SER 11 -16.494 -4.102 6.506 94 HG SER 11 HG SER 11 -17.239 -2.170 8.168 95 H HIS 12 H HIS 12 -15.307 -4.488 4.164 96 HA HIS 12 HA HIS 12 -12.725 -4.863 5.321 97 1HB HIS 12 1HB HIS 12 -13.376 -6.939 4.735 98 2HB HIS 12 2HB HIS 12 -14.543 -6.332 3.574 99 HD1 HIS 12 HD1 HIS 12 -11.022 -7.582 3.845 100 HD2 HIS 12 HD2 HIS 12 -13.693 -6.320 0.927 101 HE1 HIS 12 HE1 HIS 12 -9.978 -8.240 1.653 102 HE2 HIS 12 HE2 HIS 12 -11.613 -7.468 -0.104 103 H HIS 13 H HIS 13 -13.945 -3.409 2.358 104 HA HIS 13 HA HIS 13 -11.441 -3.235 1.029 105 1HB HIS 13 1HB HIS 13 -13.789 -1.370 0.699 106 2HB HIS 13 2HB HIS 13 -12.492 -1.649 -0.452 107 HD1 HIS 13 HD1 HIS 13 -12.695 -4.863 -0.093 108 HD2 HIS 13 HD2 HIS 13 -15.718 -2.195 -1.060 109 HE1 HIS 13 HE1 HIS 13 -14.428 -6.233 -1.300 110 HE2 HIS 13 HE2 HIS 13 -16.258 -4.596 -1.880 111 H ALA 14 H ALA 14 -13.043 -1.288 3.445 112 HA ALA 14 HA ALA 14 -11.432 1.034 3.129 113 1HB ALA 14 1HB ALA 14 -13.028 0.075 5.508 114 2HB ALA 14 2HB ALA 14 -12.310 1.678 5.345 115 3HB ALA 14 3HB ALA 14 -13.586 1.166 4.239 116 H LYS 15 H LYS 15 -11.374 -1.620 5.517 117 HA LYS 15 HA LYS 15 -8.980 -0.773 6.757 118 1HB LYS 15 1HB LYS 15 -10.792 -3.005 6.954 119 2HB LYS 15 2HB LYS 15 -9.133 -3.583 6.977 120 1HG LYS 15 1HG LYS 15 -8.634 -2.491 8.941 121 2HG LYS 15 2HG LYS 15 -9.921 -1.301 8.728 122 1HD LYS 15 1HD LYS 15 -11.184 -3.806 8.852 123 2HD LYS 15 2HD LYS 15 -9.973 -3.802 10.137 124 1HE LYS 15 1HE LYS 15 -12.068 -1.679 9.690 125 2HE LYS 15 2HE LYS 15 -12.143 -2.951 10.910 126 1HZ LYS 15 1HZ LYS 15 -9.700 -1.470 11.031 127 2HZ LYS 15 2HZ LYS 15 -11.051 -0.472 11.232 128 3HZ LYS 15 3HZ LYS 15 -10.820 -1.802 12.255 129 H GLU 16 H GLU 16 -9.624 -2.380 3.786 130 HA GLU 16 HA GLU 16 -7.076 -3.634 3.488 131 1HB GLU 16 1HB GLU 16 -9.481 -3.214 1.804 132 2HB GLU 16 2HB GLU 16 -7.963 -3.474 0.957 133 1HG GLU 16 1HG GLU 16 -9.066 -5.312 3.067 134 2HG GLU 16 2HG GLU 16 -9.283 -5.534 1.332 135 H ILE 17 H ILE 17 -8.524 -0.585 2.340 136 HA ILE 17 HA ILE 17 -6.273 0.159 0.778 137 HB ILE 17 HB ILE 17 -7.342 2.157 0.338 138 1HG1 ILE 17 1HG1 ILE 17 -9.213 3.019 1.945 139 2HG1 ILE 17 2HG1 ILE 17 -8.431 1.988 3.137 140 1HG2 ILE 17 1HG2 ILE 17 -8.923 -0.124 0.431 141 2HG2 ILE 17 2HG2 ILE 17 -9.937 1.167 1.070 142 3HG2 ILE 17 3HG2 ILE 17 -9.198 1.333 -0.522 143 1HD1 ILE 17 1HD1 ILE 17 -6.664 3.809 1.643 144 2HD1 ILE 17 2HD1 ILE 17 -7.805 4.559 2.759 145 3HD1 ILE 17 3HD1 ILE 17 -6.656 3.356 3.346 146 H GLU 18 H GLU 18 -7.236 0.817 4.115 147 HA GLU 18 HA GLU 18 -5.086 2.602 4.665 148 1HB GLU 18 1HB GLU 18 -7.301 1.399 6.122 149 2HB GLU 18 2HB GLU 18 -5.841 1.488 7.097 150 1HG GLU 18 1HG GLU 18 -5.721 3.934 6.345 151 2HG GLU 18 2HG GLU 18 -7.397 3.716 5.841 152 H ARG 19 H ARG 19 -5.446 -0.847 4.651 153 HA ARG 19 HA ARG 19 -3.148 -1.399 6.268 154 1HB ARG 19 1HB ARG 19 -5.113 -2.971 4.711 155 2HB ARG 19 2HB ARG 19 -3.525 -3.702 4.902 156 1HG ARG 19 1HG ARG 19 -3.723 -3.474 7.335 157 2HG ARG 19 2HG ARG 19 -5.330 -2.774 7.127 158 1HD ARG 19 1HD ARG 19 -5.841 -4.979 7.549 159 2HD ARG 19 2HD ARG 19 -5.801 -4.959 5.786 160 HE ARG 19 HE ARG 19 -4.099 -6.460 5.898 161 1HH1 ARG 19 1HH1 ARG 19 -4.136 -4.632 8.862 162 2HH1 ARG 19 2HH1 ARG 19 -2.837 -5.524 9.581 163 1HH2 ARG 19 1HH2 ARG 19 -2.388 -7.643 6.835 164 2HH2 ARG 19 2HH2 ARG 19 -1.842 -7.236 8.427 165 H LEU 20 H LEU 20 -3.778 -1.046 2.825 166 HA LEU 20 HA LEU 20 -1.253 -2.047 1.972 167 1HB LEU 20 1HB LEU 20 -3.516 -0.586 0.715 168 2HB LEU 20 2HB LEU 20 -1.962 -0.514 -0.095 169 HG LEU 20 HG LEU 20 -3.233 -2.295 -1.066 170 1HD1 LEU 20 1HD1 LEU 20 -0.780 -2.632 -0.594 171 2HD1 LEU 20 2HD1 LEU 20 -1.267 -3.609 0.792 172 3HD1 LEU 20 3HD1 LEU 20 -1.725 -4.102 -0.839 173 1HD2 LEU 20 1HD2 LEU 20 -3.746 -3.038 1.781 174 2HD2 LEU 20 2HD2 LEU 20 -4.878 -2.894 0.436 175 3HD2 LEU 20 3HD2 LEU 20 -3.788 -4.278 0.527 176 H GLN 21 H GLN 21 -2.507 1.121 2.832 177 HA GLN 21 HA GLN 21 -0.275 2.623 1.934 178 1HB GLN 21 1HB GLN 21 -2.770 3.180 3.080 179 2HB GLN 21 2HB GLN 21 -1.593 3.800 4.231 180 1HG GLN 21 1HG GLN 21 -1.175 4.457 1.375 181 2HG GLN 21 2HG GLN 21 -2.518 5.242 2.205 182 2HE2 GLN 21 2HE2 GLN 21 0.947 4.800 2.141 183 1HE2 GLN 21 1HE2 GLN 21 1.339 6.192 3.087 184 H LYS 22 H LYS 22 -1.161 1.265 5.095 185 HA LYS 22 HA LYS 22 1.055 2.248 6.517 186 1HB LYS 22 1HB LYS 22 -1.084 0.316 6.958 187 2HB LYS 22 2HB LYS 22 0.424 -0.172 7.720 188 1HG LYS 22 1HG LYS 22 -0.844 1.070 9.307 189 2HG LYS 22 2HG LYS 22 0.525 2.066 8.805 190 1HD LYS 22 1HD LYS 22 -2.052 2.344 7.338 191 2HD LYS 22 2HD LYS 22 -1.918 3.056 8.948 192 1HE LYS 22 1HE LYS 22 0.342 3.996 7.966 193 2HE LYS 22 2HE LYS 22 -0.490 3.755 6.430 194 1HZ LYS 22 1HZ LYS 22 -1.556 5.340 8.704 195 2HZ LYS 22 2HZ LYS 22 -0.807 5.994 7.335 196 3HZ LYS 22 3HZ LYS 22 -2.273 5.165 7.183 197 H GLU 23 H GLU 23 0.621 -0.537 4.457 198 HA GLU 23 HA GLU 23 2.958 -1.938 5.202 199 1HB GLU 23 1HB GLU 23 0.938 -2.752 3.812 200 2HB GLU 23 2HB GLU 23 1.765 -2.025 2.440 201 1HG GLU 23 1HG GLU 23 2.138 -4.481 2.758 202 2HG GLU 23 2HG GLU 23 3.598 -3.498 2.641 203 H ILE 24 H ILE 24 2.317 0.337 2.531 204 HA ILE 24 HA ILE 24 4.945 0.277 1.502 205 HB ILE 24 HB ILE 24 3.171 1.143 0.124 206 1HG1 ILE 24 1HG1 ILE 24 5.150 3.302 0.881 207 2HG1 ILE 24 2HG1 ILE 24 5.383 2.043 -0.327 208 1HG2 ILE 24 1HG2 ILE 24 2.829 3.167 2.310 209 2HG2 ILE 24 2HG2 ILE 24 2.204 3.421 0.680 210 3HG2 ILE 24 3HG2 ILE 24 1.636 2.055 1.640 211 1HD1 ILE 24 1HD1 ILE 24 3.083 3.271 -1.163 212 2HD1 ILE 24 2HD1 ILE 24 4.044 4.609 -0.533 213 3HD1 ILE 24 3HD1 ILE 24 4.705 3.562 -1.792 214 H GLU 25 H GLU 25 3.549 1.843 4.242 215 HA GLU 25 HA GLU 25 5.428 3.949 4.523 216 1HB GLU 25 1HB GLU 25 3.102 3.424 5.727 217 2HB GLU 25 2HB GLU 25 4.177 2.737 6.938 218 1HG GLU 25 1HG GLU 25 4.999 5.381 6.028 219 2HG GLU 25 2HG GLU 25 3.403 5.356 6.777 220 H ARG 26 H ARG 26 5.198 0.710 5.984 221 HA ARG 26 HA ARG 26 7.604 0.909 7.463 222 1HB ARG 26 1HB ARG 26 5.694 -1.223 6.743 223 2HB ARG 26 2HB ARG 26 7.332 -1.768 7.073 224 1HG ARG 26 1HG ARG 26 6.048 -1.890 9.089 225 2HG ARG 26 2HG ARG 26 7.239 -0.598 9.250 226 1HD ARG 26 1HD ARG 26 5.666 0.988 9.433 227 2HD ARG 26 2HD ARG 26 4.683 0.288 8.147 228 HE ARG 26 HE ARG 26 3.379 -0.634 9.765 229 1HH1 ARG 26 1HH1 ARG 26 6.547 -0.081 11.101 230 2HH1 ARG 26 2HH1 ARG 26 6.112 -0.617 12.689 231 1HH2 ARG 26 1HH2 ARG 26 2.795 -1.341 11.852 232 2HH2 ARG 26 2HH2 ARG 26 3.979 -1.335 13.117 233 H HIS 27 H HIS 27 6.854 -0.192 4.205 234 HA HIS 27 HA HIS 27 9.459 -1.231 3.681 235 1HB HIS 27 1HB HIS 27 6.936 -1.202 2.386 236 2HB HIS 27 2HB HIS 27 8.092 -0.477 1.278 237 HD1 HIS 27 HD1 HIS 27 10.051 -2.001 0.451 238 HD2 HIS 27 HD2 HIS 27 7.212 -3.929 2.793 239 HE1 HIS 27 HE1 HIS 27 10.475 -4.459 0.132 240 HE2 HIS 27 HE2 HIS 27 8.745 -5.609 1.558 241 H LYS 28 H LYS 28 8.004 1.890 3.648 242 HA LYS 28 HA LYS 28 9.848 3.105 1.829 243 1HB LYS 28 1HB LYS 28 7.642 4.071 2.124 244 2HB LYS 28 2HB LYS 28 7.938 4.301 3.842 245 1HG LYS 28 1HG LYS 28 10.015 5.673 2.782 246 2HG LYS 28 2HG LYS 28 8.779 5.920 1.547 247 1HD LYS 28 1HD LYS 28 8.153 7.628 2.879 248 2HD LYS 28 2HD LYS 28 7.335 6.358 3.790 249 1HE LYS 28 1HE LYS 28 8.667 6.647 5.554 250 2HE LYS 28 2HE LYS 28 10.117 6.603 4.551 251 1HZ LYS 28 1HZ LYS 28 8.785 9.038 4.123 252 2HZ LYS 28 2HZ LYS 28 8.958 8.812 5.791 253 3HZ LYS 28 3HZ LYS 28 10.319 8.779 4.786 254 H GLN 29 H GLN 29 9.662 2.586 5.277 255 HA GLN 29 HA GLN 29 11.773 4.384 5.959 256 1HB GLN 29 1HB GLN 29 10.144 3.760 7.638 257 2HB GLN 29 2HB GLN 29 10.554 2.059 7.460 258 1HG GLN 29 1HG GLN 29 11.930 2.339 9.173 259 2HG GLN 29 2HG GLN 29 12.969 3.243 8.071 260 2HE2 GLN 29 2HE2 GLN 29 10.084 3.729 10.082 261 1HE2 GLN 29 1HE2 GLN 29 10.544 5.288 10.666 262 H SER 30 H SER 30 11.554 0.911 5.322 263 HA SER 30 HA SER 30 14.263 0.333 5.946 264 1HB SER 30 1HB SER 30 11.980 -1.095 4.756 265 2HB SER 30 2HB SER 30 13.558 -1.639 4.188 266 HG SER 30 HG SER 30 12.359 -2.099 6.548 267 H ILE 31 H ILE 31 12.589 1.103 2.921 268 HA ILE 31 HA ILE 31 14.893 0.742 1.270 269 HB ILE 31 HB ILE 31 12.697 0.517 0.297 270 1HG1 ILE 31 1HG1 ILE 31 12.846 2.292 -1.551 271 2HG1 ILE 31 2HG1 ILE 31 14.287 2.870 -0.718 272 1HG2 ILE 31 1HG2 ILE 31 11.981 2.619 1.897 273 2HG2 ILE 31 2HG2 ILE 31 11.993 3.355 0.298 274 3HG2 ILE 31 3HG2 ILE 31 10.994 1.940 0.606 275 1HD1 ILE 31 1HD1 ILE 31 15.273 0.627 -0.969 276 2HD1 ILE 31 2HD1 ILE 31 13.846 0.142 -1.883 277 3HD1 ILE 31 3HD1 ILE 31 14.905 1.404 -2.509 278 H LYS 32 H LYS 32 13.592 3.378 3.121 279 HA LYS 32 HA LYS 32 15.166 5.398 1.799 280 1HB LYS 32 1HB LYS 32 13.286 5.326 4.116 281 2HB LYS 32 2HB LYS 32 14.419 6.667 4.005 282 1HG LYS 32 1HG LYS 32 13.396 6.558 1.470 283 2HG LYS 32 2HG LYS 32 12.007 6.116 2.464 284 1HD LYS 32 1HD LYS 32 12.912 8.190 3.891 285 2HD LYS 32 2HD LYS 32 13.492 8.672 2.295 286 1HE LYS 32 1HE LYS 32 11.240 8.474 1.398 287 2HE LYS 32 2HE LYS 32 10.647 7.926 2.965 288 1HZ LYS 32 1HZ LYS 32 11.668 10.176 3.751 289 2HZ LYS 32 2HZ LYS 32 11.474 10.614 2.129 290 3HZ LYS 32 3HZ LYS 32 10.133 10.136 3.042 291 H LYS 33 H LYS 33 15.598 3.164 4.390 292 HA LYS 33 HA LYS 33 17.734 4.621 5.654 293 1HB LYS 33 1HB LYS 33 16.256 2.131 6.138 294 2HB LYS 33 2HB LYS 33 17.958 2.047 6.572 295 1HG LYS 33 1HG LYS 33 16.451 4.423 7.489 296 2HG LYS 33 2HG LYS 33 16.079 2.878 8.258 297 1HD LYS 33 1HD LYS 33 18.810 2.856 8.232 298 2HD LYS 33 2HD LYS 33 18.463 4.569 8.475 299 1HE LYS 33 1HE LYS 33 16.909 3.881 10.329 300 2HE LYS 33 2HE LYS 33 17.543 2.246 10.157 301 1HZ LYS 33 1HZ LYS 33 19.663 4.112 10.363 302 2HZ LYS 33 2HZ LYS 33 18.604 4.298 11.669 303 3HZ LYS 33 3HZ LYS 33 19.308 2.790 11.357 304 H LEU 34 H LEU 34 17.473 1.871 3.421 305 HA LEU 34 HA LEU 34 20.336 1.501 3.390 306 1HB LEU 34 1HB LEU 34 18.211 0.308 1.608 307 2HB LEU 34 2HB LEU 34 19.887 -0.200 1.691 308 HG LEU 34 HG LEU 34 18.268 -0.280 4.192 309 1HD1 LEU 34 1HD1 LEU 34 16.897 -1.304 2.345 310 2HD1 LEU 34 2HD1 LEU 34 18.186 -2.493 2.157 311 3HD1 LEU 34 3HD1 LEU 34 17.303 -2.381 3.680 312 1HD2 LEU 34 1HD2 LEU 34 20.714 -0.770 4.112 313 2HD2 LEU 34 2HD2 LEU 34 19.727 -2.094 4.731 314 3HD2 LEU 34 3HD2 LEU 34 20.348 -2.154 3.081 315 H LYS 35 H LYS 35 17.970 3.301 1.630 316 HA LYS 35 HA LYS 35 19.689 3.761 -0.650 317 1HB LYS 35 1HB LYS 35 17.143 3.654 -0.728 318 2HB LYS 35 2HB LYS 35 17.150 5.240 0.030 319 1HG LYS 35 1HG LYS 35 18.908 5.347 -2.184 320 2HG LYS 35 2HG LYS 35 17.412 4.576 -2.717 321 1HD LYS 35 1HD LYS 35 17.396 7.112 -1.108 322 2HD LYS 35 2HD LYS 35 17.554 7.128 -2.867 323 1HE LYS 35 1HE LYS 35 15.265 6.086 -1.215 324 2HE LYS 35 2HE LYS 35 15.249 7.407 -2.384 325 1HZ LYS 35 1HZ LYS 35 16.049 5.423 -3.940 326 2HZ LYS 35 2HZ LYS 35 15.136 4.532 -2.826 327 3HZ LYS 35 3HZ LYS 35 14.416 5.791 -3.697 328 H GLN 36 H GLN 36 18.927 5.264 2.385 329 HA GLN 36 HA GLN 36 20.069 7.819 1.672 330 1HB GLN 36 1HB GLN 36 18.953 6.632 4.193 331 2HB GLN 36 2HB GLN 36 19.871 8.131 4.248 332 1HG GLN 36 1HG GLN 36 18.301 9.233 2.839 333 2HG GLN 36 2HG GLN 36 17.460 7.721 2.500 334 2HE2 GLN 36 2HE2 GLN 36 18.647 9.029 5.561 335 1HE2 GLN 36 1HE2 GLN 36 17.106 9.084 6.340 336 H SER 37 H SER 37 21.065 4.889 3.314 337 HA SER 37 HA SER 37 23.523 5.978 4.311 338 1HB SER 37 1HB SER 37 22.034 3.650 4.761 339 2HB SER 37 2HB SER 37 23.542 3.092 4.038 340 HG SER 37 HG SER 37 24.060 3.247 6.123 341 H GLU 38 H GLU 38 22.478 4.401 1.387 342 HA GLU 38 HA GLU 38 25.104 3.748 0.448 343 1HB GLU 38 1HB GLU 38 22.495 3.114 -0.307 344 2HB GLU 38 2HB GLU 38 23.118 4.066 -1.647 345 1HG GLU 38 1HG GLU 38 25.054 2.119 -0.768 346 2HG GLU 38 2HG GLU 38 23.516 1.358 -1.175 347 H ASP 39 H ASP 39 23.007 6.519 0.271 348 HA ASP 39 HA ASP 39 24.328 7.813 -1.897 349 1HB ASP 39 1HB ASP 39 21.966 8.258 -0.936 350 2HB ASP 39 2HB ASP 39 22.797 9.258 0.253 351 H ASP 40 H ASP 40 24.889 7.595 1.522 352 HA ASP 40 HA ASP 40 26.640 8.269 2.814 353 1HB ASP 40 1HB ASP 40 27.698 8.371 0.104 354 2HB ASP 40 2HB ASP 40 28.449 9.573 1.149 355 H ASP 41 H ASP 41 28.052 10.381 3.221 356 HA ASP 41 HA ASP 41 26.724 12.822 2.435 357 1HB ASP 41 1HB ASP 41 26.805 12.171 5.380 358 2HB ASP 41 2HB ASP 41 25.981 13.510 4.586 359 H1 ALA 1 H1 ALA 1 34.839 -9.129 -0.571 360 H2 ALA 1 H2 ALA 1 34.413 -10.739 -0.170 361 H3 ALA 1 H3 ALA 1 34.041 -10.116 -1.725 362 HA ALA 1 HA ALA 1 32.104 -10.197 -0.389 363 1HB ALA 1 1HB ALA 1 33.555 -8.333 1.484 364 2HB ALA 1 2HB ALA 1 33.289 -10.051 1.781 365 3HB ALA 1 3HB ALA 1 31.913 -8.953 1.661 366 H LEU 2 H LEU 2 31.262 -9.230 -2.187 367 HA LEU 2 HA LEU 2 31.852 -6.467 -2.804 368 1HB LEU 2 1HB LEU 2 29.894 -8.397 -4.052 369 2HB LEU 2 2HB LEU 2 30.265 -6.799 -4.670 370 HG LEU 2 HG LEU 2 32.644 -7.546 -4.958 371 1HD1 LEU 2 1HD1 LEU 2 31.426 -10.138 -4.078 372 2HD1 LEU 2 2HD1 LEU 2 32.849 -10.097 -5.117 373 3HD1 LEU 2 3HD1 LEU 2 32.904 -9.358 -3.517 374 1HD2 LEU 2 1HD2 LEU 2 30.414 -8.914 -6.441 375 2HD2 LEU 2 2HD2 LEU 2 31.299 -7.458 -6.898 376 3HD2 LEU 2 3HD2 LEU 2 32.103 -9.027 -6.935 377 H LYS 3 H LYS 3 30.273 -4.793 -2.910 378 HA LYS 3 HA LYS 3 28.148 -5.121 -0.907 379 1HB LYS 3 1HB LYS 3 29.956 -2.914 -1.643 380 2HB LYS 3 2HB LYS 3 28.292 -2.433 -1.339 381 1HG LYS 3 1HG LYS 3 29.214 -2.224 0.748 382 2HG LYS 3 2HG LYS 3 28.570 -3.866 0.822 383 1HD LYS 3 1HD LYS 3 31.136 -4.126 -0.252 384 2HD LYS 3 2HD LYS 3 31.295 -2.951 1.055 385 1HE LYS 3 1HE LYS 3 29.633 -4.986 2.037 386 2HE LYS 3 2HE LYS 3 30.951 -5.800 1.195 387 1HZ LYS 3 1HZ LYS 3 31.495 -3.620 3.110 388 2HZ LYS 3 2HZ LYS 3 31.258 -5.206 3.649 389 3HZ LYS 3 3HZ LYS 3 32.527 -4.855 2.587 390 H LYS 4 H LYS 4 28.034 -5.872 -3.795 391 HA LYS 4 HA LYS 4 26.251 -3.966 -5.012 392 1HB LYS 4 1HB LYS 4 27.281 -6.680 -5.792 393 2HB LYS 4 2HB LYS 4 25.984 -5.912 -6.697 394 1HG LYS 4 1HG LYS 4 27.828 -3.910 -6.567 395 2HG LYS 4 2HG LYS 4 28.850 -5.346 -6.667 396 1HD LYS 4 1HD LYS 4 26.552 -4.806 -8.541 397 2HD LYS 4 2HD LYS 4 28.216 -4.318 -8.876 398 1HE LYS 4 1HE LYS 4 28.843 -6.404 -9.408 399 2HE LYS 4 2HE LYS 4 27.941 -7.115 -8.071 400 1HZ LYS 4 1HZ LYS 4 26.576 -6.113 -10.494 401 2HZ LYS 4 2HZ LYS 4 27.203 -7.683 -10.419 402 3HZ LYS 4 3HZ LYS 4 25.998 -7.199 -9.332 403 H HIS 5 H HIS 5 25.984 -7.011 -3.290 404 HA HIS 5 HA HIS 5 23.336 -7.657 -3.867 405 1HB HIS 5 1HB HIS 5 23.376 -9.012 -1.858 406 2HB HIS 5 2HB HIS 5 24.930 -9.141 -2.676 407 HD1 HIS 5 HD1 HIS 5 24.313 -9.590 0.448 408 HD2 HIS 5 HD2 HIS 5 26.119 -6.281 -1.298 409 HE1 HIS 5 HE1 HIS 5 25.672 -8.523 2.276 410 HE2 HIS 5 HE2 HIS 5 26.757 -6.522 1.197 411 H HIS 6 H HIS 6 24.641 -5.152 -1.882 412 HA HIS 6 HA HIS 6 22.408 -4.727 -0.194 413 1HB HIS 6 1HB HIS 6 24.939 -3.414 -0.766 414 2HB HIS 6 2HB HIS 6 23.644 -2.248 -0.514 415 HD1 HIS 6 HD1 HIS 6 24.072 -5.540 1.311 416 HD2 HIS 6 HD2 HIS 6 24.215 -1.449 2.034 417 HE1 HIS 6 HE1 HIS 6 24.308 -5.306 3.804 418 HE2 HIS 6 HE2 HIS 6 24.392 -2.821 4.220 419 H GLU 7 H GLU 7 23.466 -2.995 -3.130 420 HA GLU 7 HA GLU 7 21.233 -1.318 -3.317 421 1HB GLU 7 1HB GLU 7 23.574 -1.610 -4.715 422 2HB GLU 7 2HB GLU 7 22.382 -2.151 -5.889 423 1HG GLU 7 1HG GLU 7 21.645 0.318 -4.518 424 2HG GLU 7 2HG GLU 7 23.130 0.436 -5.460 425 H ASN 8 H ASN 8 21.654 -4.649 -4.141 426 HA ASN 8 HA ASN 8 19.457 -4.858 -5.944 427 1HB ASN 8 1HB ASN 8 21.502 -6.561 -4.989 428 2HB ASN 8 2HB ASN 8 19.975 -7.337 -4.580 429 2HD2 ASN 8 2HD2 ASN 8 22.214 -7.656 -6.688 430 1HD2 ASN 8 1HD2 ASN 8 21.330 -7.922 -8.149 431 H GLU 9 H GLU 9 19.882 -5.593 -2.494 432 HA GLU 9 HA GLU 9 17.278 -6.514 -2.015 433 1HB GLU 9 1HB GLU 9 19.401 -6.571 -0.504 434 2HB GLU 9 2HB GLU 9 18.839 -5.003 0.056 435 1HG GLU 9 1HG GLU 9 17.948 -6.459 1.607 436 2HG GLU 9 2HG GLU 9 16.605 -6.200 0.495 437 H ILE 10 H ILE 10 18.660 -3.254 -1.876 438 HA ILE 10 HA ILE 10 16.257 -2.060 -0.929 439 HB ILE 10 HB ILE 10 17.282 0.042 -1.222 440 1HG1 ILE 10 1HG1 ILE 10 19.307 -1.285 -3.039 441 2HG1 ILE 10 2HG1 ILE 10 18.014 -0.206 -3.559 442 1HG2 ILE 10 1HG2 ILE 10 18.260 -1.310 0.537 443 2HG2 ILE 10 2HG2 ILE 10 19.441 -1.960 -0.597 444 3HG2 ILE 10 3HG2 ILE 10 19.471 -0.248 -0.181 445 1HD1 ILE 10 1HD1 ILE 10 19.448 1.150 -1.553 446 2HD1 ILE 10 2HD1 ILE 10 20.634 0.436 -2.650 447 3HD1 ILE 10 3HD1 ILE 10 19.381 1.506 -3.282 448 H SER 11 H SER 11 17.424 -3.010 -4.040 449 HA SER 11 HA SER 11 15.813 -1.306 -5.623 450 1HB SER 11 1HB SER 11 17.786 -2.915 -6.297 451 2HB SER 11 2HB SER 11 16.491 -4.094 -6.507 452 HG SER 11 HG SER 11 17.239 -2.158 -8.165 453 H HIS 12 H HIS 12 15.306 -4.476 -4.155 454 HA HIS 12 HA HIS 12 12.721 -4.847 -5.311 455 1HB HIS 12 1HB HIS 12 13.373 -6.925 -4.731 456 2HB HIS 12 2HB HIS 12 14.540 -6.323 -3.569 457 HD1 HIS 12 HD1 HIS 12 11.021 -7.573 -3.844 458 HD2 HIS 12 HD2 HIS 12 13.687 -6.313 -0.922 459 HE1 HIS 12 HE1 HIS 12 9.974 -8.233 -1.653 460 HE2 HIS 12 HE2 HIS 12 11.606 -7.461 0.106 461 H HIS 13 H HIS 13 13.951 -3.393 -2.353 462 HA HIS 13 HA HIS 13 11.450 -3.222 -1.015 463 1HB HIS 13 1HB HIS 13 13.806 -1.364 -0.682 464 2HB HIS 13 2HB HIS 13 12.507 -1.644 0.468 465 HD1 HIS 13 HD1 HIS 13 12.696 -4.856 0.102 466 HD2 HIS 13 HD2 HIS 13 15.734 -2.203 1.069 467 HE1 HIS 13 HE1 HIS 13 14.426 -6.235 1.304 468 HE2 HIS 13 HE2 HIS 13 16.263 -4.608 1.883 469 H ALA 14 H ALA 14 13.044 -1.273 -3.435 470 HA ALA 14 HA ALA 14 11.427 1.047 -3.108 471 1HB ALA 14 1HB ALA 14 13.031 0.103 -5.488 472 2HB ALA 14 2HB ALA 14 13.584 1.190 -4.213 473 3HB ALA 14 3HB ALA 14 12.310 1.703 -5.318 474 H LYS 15 H LYS 15 11.381 -1.602 -5.503 475 HA LYS 15 HA LYS 15 8.991 -0.757 -6.750 476 1HB LYS 15 1HB LYS 15 10.808 -2.982 -6.950 477 2HB LYS 15 2HB LYS 15 9.152 -3.570 -6.968 478 1HG LYS 15 1HG LYS 15 8.640 -2.476 -8.930 479 2HG LYS 15 2HG LYS 15 9.926 -1.285 -8.722 480 1HD LYS 15 1HD LYS 15 11.188 -3.794 -8.850 481 2HD LYS 15 2HD LYS 15 9.975 -3.786 -10.133 482 1HE LYS 15 1HE LYS 15 12.072 -1.664 -9.687 483 2HE LYS 15 2HE LYS 15 12.145 -2.935 -10.906 484 1HZ LYS 15 1HZ LYS 15 9.704 -1.456 -11.028 485 2HZ LYS 15 2HZ LYS 15 11.054 -0.457 -11.227 486 3HZ LYS 15 3HZ LYS 15 10.824 -1.785 -12.251 487 H GLU 16 H GLU 16 9.629 -2.379 -3.784 488 HA GLU 16 HA GLU 16 7.082 -3.634 -3.494 489 1HB GLU 16 1HB GLU 16 9.480 -3.208 -1.802 490 2HB GLU 16 2HB GLU 16 7.959 -3.468 -0.957 491 1HG GLU 16 1HG GLU 16 9.070 -5.308 -3.062 492 2HG GLU 16 2HG GLU 16 9.281 -5.530 -1.326 493 H ILE 17 H ILE 17 8.521 -0.588 -2.320 494 HA ILE 17 HA ILE 17 6.259 0.151 -0.774 495 HB ILE 17 HB ILE 17 7.322 2.152 -0.327 496 1HG1 ILE 17 1HG1 ILE 17 9.202 3.016 -1.923 497 2HG1 ILE 17 2HG1 ILE 17 8.427 1.987 -3.119 498 1HG2 ILE 17 1HG2 ILE 17 8.911 -0.128 -0.424 499 2HG2 ILE 17 2HG2 ILE 17 9.925 1.179 -1.033 500 3HG2 ILE 17 3HG2 ILE 17 9.160 1.317 0.549 501 1HD1 ILE 17 1HD1 ILE 17 6.655 3.807 -1.632 502 2HD1 ILE 17 2HD1 ILE 17 7.799 4.555 -2.746 503 3HD1 ILE 17 3HD1 ILE 17 6.651 3.352 -3.335 504 H GLU 18 H GLU 18 7.236 0.821 -4.107 505 HA GLU 18 HA GLU 18 5.088 2.606 -4.661 506 1HB GLU 18 1HB GLU 18 7.306 1.403 -6.113 507 2HB GLU 18 2HB GLU 18 5.848 1.492 -7.091 508 1HG GLU 18 1HG GLU 18 5.726 3.938 -6.336 509 2HG GLU 18 2HG GLU 18 7.401 3.719 -5.833 510 H ARG 19 H ARG 19 5.441 -0.842 -4.645 511 HA ARG 19 HA ARG 19 3.145 -1.388 -6.268 512 1HB ARG 19 1HB ARG 19 5.104 -2.966 -4.711 513 2HB ARG 19 2HB ARG 19 3.516 -3.696 -4.911 514 1HG ARG 19 1HG ARG 19 3.724 -3.461 -7.341 515 2HG ARG 19 2HG ARG 19 5.329 -2.761 -7.127 516 1HD ARG 19 1HD ARG 19 5.841 -4.965 -7.556 517 2HD ARG 19 2HD ARG 19 5.802 -4.947 -5.793 518 HE ARG 19 HE ARG 19 4.102 -6.451 -5.907 519 1HH1 ARG 19 1HH1 ARG 19 4.134 -4.617 -8.867 520 2HH1 ARG 19 2HH1 ARG 19 2.836 -5.509 -9.587 521 1HH2 ARG 19 1HH2 ARG 19 2.391 -7.633 -6.844 522 2HH2 ARG 19 2HH2 ARG 19 1.844 -7.224 -8.436 523 H LEU 20 H LEU 20 3.771 -1.038 -2.826 524 HA LEU 20 HA LEU 20 1.245 -2.042 -1.976 525 1HB LEU 20 1HB LEU 20 3.506 -0.585 -0.713 526 2HB LEU 20 2HB LEU 20 1.952 -0.517 0.096 527 HG LEU 20 HG LEU 20 3.223 -2.299 1.063 528 1HD1 LEU 20 1HD1 LEU 20 0.771 -2.636 0.585 529 2HD1 LEU 20 2HD1 LEU 20 1.261 -3.610 -0.801 530 3HD1 LEU 20 3HD1 LEU 20 1.714 -4.106 0.830 531 1HD2 LEU 20 1HD2 LEU 20 3.742 -3.033 -1.785 532 2HD2 LEU 20 2HD2 LEU 20 4.869 -2.894 -0.437 533 3HD2 LEU 20 3HD2 LEU 20 3.780 -4.277 -0.535 534 H GLN 21 H GLN 21 2.500 1.124 -2.835 535 HA GLN 21 HA GLN 21 0.270 2.627 -1.933 536 1HB GLN 21 1HB GLN 21 2.764 3.186 -3.082 537 2HB GLN 21 2HB GLN 21 1.586 3.806 -4.229 538 1HG GLN 21 1HG GLN 21 1.171 4.461 -1.373 539 2HG GLN 21 2HG GLN 21 2.514 5.246 -2.203 540 2HE2 GLN 21 2HE2 GLN 21 -0.951 4.806 -2.138 541 1HE2 GLN 21 1HE2 GLN 21 -1.343 6.198 -3.082 542 H LYS 22 H LYS 22 1.155 1.271 -5.092 543 HA LYS 22 HA LYS 22 -1.062 2.256 -6.516 544 1HB LYS 22 1HB LYS 22 1.078 0.324 -6.958 545 2HB LYS 22 2HB LYS 22 -0.430 -0.161 -7.723 546 1HG LYS 22 1HG LYS 22 0.840 1.084 -9.306 547 2HG LYS 22 2HG LYS 22 -0.527 2.081 -8.802 548 1HD LYS 22 1HD LYS 22 2.048 2.352 -7.331 549 2HD LYS 22 2HD LYS 22 1.919 3.067 -8.940 550 1HE LYS 22 1HE LYS 22 -0.341 4.008 -7.959 551 2HE LYS 22 2HE LYS 22 0.490 3.765 -6.424 552 1HZ LYS 22 1HZ LYS 22 1.558 5.350 -8.697 553 2HZ LYS 22 2HZ LYS 22 0.810 6.005 -7.328 554 3HZ LYS 22 3HZ LYS 22 2.274 5.173 -7.175 555 H GLU 23 H GLU 23 -0.625 -0.530 -4.454 556 HA GLU 23 HA GLU 23 -2.957 -1.937 -5.201 557 1HB GLU 23 1HB GLU 23 -0.937 -2.741 -3.804 558 2HB GLU 23 2HB GLU 23 -1.772 -2.017 -2.436 559 1HG GLU 23 1HG GLU 23 -2.132 -4.476 -2.762 560 2HG GLU 23 2HG GLU 23 -3.594 -3.499 -2.638 561 H ILE 24 H ILE 24 -2.326 0.338 -2.527 562 HA ILE 24 HA ILE 24 -4.956 0.277 -1.505 563 HB ILE 24 HB ILE 24 -3.186 1.143 -0.122 564 1HG1 ILE 24 1HG1 ILE 24 -5.162 3.302 -0.885 565 2HG1 ILE 24 2HG1 ILE 24 -5.397 2.047 0.326 566 1HG2 ILE 24 1HG2 ILE 24 -2.835 3.165 -2.309 567 2HG2 ILE 24 2HG2 ILE 24 -2.215 3.421 -0.678 568 3HG2 ILE 24 3HG2 ILE 24 -1.645 2.053 -1.633 569 1HD1 ILE 24 1HD1 ILE 24 -3.096 3.276 1.162 570 2HD1 ILE 24 2HD1 ILE 24 -4.057 4.613 0.530 571 3HD1 ILE 24 3HD1 ILE 24 -4.719 3.568 1.788 572 H GLU 25 H GLU 25 -3.550 1.853 -4.237 573 HA GLU 25 HA GLU 25 -5.428 3.955 -4.526 574 1HB GLU 25 1HB GLU 25 -3.100 3.422 -5.726 575 2HB GLU 25 2HB GLU 25 -4.176 2.742 -6.937 576 1HG GLU 25 1HG GLU 25 -4.987 5.388 -6.024 577 2HG GLU 25 2HG GLU 25 -3.393 5.355 -6.776 578 H ARG 26 H ARG 26 -5.200 0.709 -5.971 579 HA ARG 26 HA ARG 26 -7.605 0.911 -7.456 580 1HB ARG 26 1HB ARG 26 -5.693 -1.221 -6.738 581 2HB ARG 26 2HB ARG 26 -7.331 -1.767 -7.067 582 1HG ARG 26 1HG ARG 26 -6.043 -1.885 -9.083 583 2HG ARG 26 2HG ARG 26 -7.240 -0.599 -9.245 584 1HD ARG 26 1HD ARG 26 -5.673 0.993 -9.426 585 2HD ARG 26 2HD ARG 26 -4.687 0.296 -8.141 586 HE ARG 26 HE ARG 26 -3.381 -0.626 -9.758 587 1HH1 ARG 26 1HH1 ARG 26 -6.546 -0.064 -11.098 588 2HH1 ARG 26 2HH1 ARG 26 -6.110 -0.594 -12.688 589 1HH2 ARG 26 1HH2 ARG 26 -2.795 -1.326 -11.848 590 2HH2 ARG 26 2HH2 ARG 26 -3.977 -1.312 -13.115 591 H HIS 27 H HIS 27 -6.853 -0.172 -4.195 592 HA HIS 27 HA HIS 27 -9.460 -1.212 -3.667 593 1HB HIS 27 1HB HIS 27 -6.933 -1.188 -2.375 594 2HB HIS 27 2HB HIS 27 -8.091 -0.469 -1.265 595 HD1 HIS 27 HD1 HIS 27 -10.046 -1.998 -0.442 596 HD2 HIS 27 HD2 HIS 27 -7.210 -3.914 -2.799 597 HE1 HIS 27 HE1 HIS 27 -10.469 -4.459 -0.136 598 HE2 HIS 27 HE2 HIS 27 -8.742 -5.600 -1.572 599 H LYS 28 H LYS 28 -8.017 1.907 -3.674 600 HA LYS 28 HA LYS 28 -9.849 3.121 -1.838 601 1HB LYS 28 1HB LYS 28 -7.642 4.086 -2.123 602 2HB LYS 28 2HB LYS 28 -7.931 4.314 -3.842 603 1HG LYS 28 1HG LYS 28 -10.011 5.690 -2.787 604 2HG LYS 28 2HG LYS 28 -8.774 5.938 -1.552 605 1HD LYS 28 1HD LYS 28 -8.142 7.641 -2.887 606 2HD LYS 28 2HD LYS 28 -7.331 6.367 -3.800 607 1HE LYS 28 1HE LYS 28 -8.663 6.668 -5.561 608 2HE LYS 28 2HE LYS 28 -10.111 6.616 -4.558 609 1HZ LYS 28 1HZ LYS 28 -8.787 9.053 -4.120 610 2HZ LYS 28 2HZ LYS 28 -8.959 8.833 -5.789 611 3HZ LYS 28 3HZ LYS 28 -10.320 8.793 -4.784 612 H GLN 29 H GLN 29 -9.655 2.609 -5.286 613 HA GLN 29 HA GLN 29 -11.765 4.407 -5.972 614 1HB GLN 29 1HB GLN 29 -10.138 3.784 -7.650 615 2HB GLN 29 2HB GLN 29 -10.541 2.083 -7.468 616 1HG GLN 29 1HG GLN 29 -11.916 2.355 -9.184 617 2HG GLN 29 2HG GLN 29 -12.959 3.253 -8.083 618 2HE2 GLN 29 2HE2 GLN 29 -10.075 3.756 -10.091 619 1HE2 GLN 29 1HE2 GLN 29 -10.544 5.312 -10.678 620 H SER 30 H SER 30 -11.546 0.926 -5.365 621 HA SER 30 HA SER 30 -14.254 0.351 -5.977 622 1HB SER 30 1HB SER 30 -11.972 -1.074 -4.780 623 2HB SER 30 2HB SER 30 -13.552 -1.614 -4.210 624 HG SER 30 HG SER 30 -12.352 -2.092 -6.563 625 H ILE 31 H ILE 31 -12.574 1.065 -2.938 626 HA ILE 31 HA ILE 31 -14.874 0.739 -1.290 627 HB ILE 31 HB ILE 31 -12.665 0.529 -0.326 628 1HG1 ILE 31 1HG1 ILE 31 -12.854 2.267 1.543 629 2HG1 ILE 31 2HG1 ILE 31 -14.289 2.853 0.703 630 1HG2 ILE 31 1HG2 ILE 31 -11.797 2.445 -1.912 631 2HG2 ILE 31 2HG2 ILE 31 -12.161 3.463 -0.523 632 3HG2 ILE 31 3HG2 ILE 31 -11.017 2.133 -0.364 633 1HD1 ILE 31 1HD1 ILE 31 -14.852 0.234 0.840 634 2HD1 ILE 31 2HD1 ILE 31 -13.870 0.429 2.293 635 3HD1 ILE 31 3HD1 ILE 31 -15.320 1.409 2.068 636 H LYS 32 H LYS 32 -13.583 3.386 -3.138 637 HA LYS 32 HA LYS 32 -15.164 5.393 -1.809 638 1HB LYS 32 1HB LYS 32 -13.289 5.337 -4.130 639 2HB LYS 32 2HB LYS 32 -14.425 6.674 -4.008 640 1HG LYS 32 1HG LYS 32 -13.396 6.556 -1.478 641 2HG LYS 32 2HG LYS 32 -12.008 6.118 -2.477 642 1HD LYS 32 1HD LYS 32 -12.915 8.199 -3.893 643 2HD LYS 32 2HD LYS 32 -13.495 8.673 -2.296 644 1HE LYS 32 1HE LYS 32 -11.241 8.469 -1.400 645 2HE LYS 32 2HE LYS 32 -10.650 7.934 -2.972 646 1HZ LYS 32 1HZ LYS 32 -11.675 10.189 -3.740 647 2HZ LYS 32 2HZ LYS 32 -11.483 10.614 -2.115 648 3HZ LYS 32 3HZ LYS 32 -10.140 10.147 -3.031 649 H LYS 33 H LYS 33 -15.603 3.162 -4.398 650 HA LYS 33 HA LYS 33 -17.741 4.621 -5.657 651 1HB LYS 33 1HB LYS 33 -16.267 2.128 -6.146 652 2HB LYS 33 2HB LYS 33 -17.970 2.055 -6.583 653 1HG LYS 33 1HG LYS 33 -16.451 4.426 -7.489 654 2HG LYS 33 2HG LYS 33 -16.083 2.883 -8.263 655 1HD LYS 33 1HD LYS 33 -18.815 2.869 -8.243 656 2HD LYS 33 2HD LYS 33 -18.460 4.582 -8.480 657 1HE LYS 33 1HE LYS 33 -16.908 3.899 -10.333 658 2HE LYS 33 2HE LYS 33 -17.541 2.261 -10.166 659 1HZ LYS 33 1HZ LYS 33 -19.661 4.128 -10.372 660 2HZ LYS 33 2HZ LYS 33 -18.600 4.315 -11.676 661 3HZ LYS 33 3HZ LYS 33 -19.304 2.808 -11.366 662 H LEU 34 H LEU 34 -17.474 1.879 -3.416 663 HA LEU 34 HA LEU 34 -20.337 1.501 -3.387 664 1HB LEU 34 1HB LEU 34 -18.209 0.313 -1.607 665 2HB LEU 34 2HB LEU 34 -19.885 -0.197 -1.687 666 HG LEU 34 HG LEU 34 -18.264 -0.276 -4.188 667 1HD1 LEU 34 1HD1 LEU 34 -16.908 -1.304 -2.322 668 2HD1 LEU 34 2HD1 LEU 34 -18.193 -2.503 -2.170 669 3HD1 LEU 34 3HD1 LEU 34 -17.289 -2.366 -3.678 670 1HD2 LEU 34 1HD2 LEU 34 -20.712 -0.763 -4.111 671 2HD2 LEU 34 2HD2 LEU 34 -19.725 -2.087 -4.731 672 3HD2 LEU 34 3HD2 LEU 34 -20.348 -2.148 -3.081 673 H LYS 35 H LYS 35 -17.970 3.303 -1.629 674 HA LYS 35 HA LYS 35 -19.689 3.765 0.652 675 1HB LYS 35 1HB LYS 35 -17.142 3.659 0.726 676 2HB LYS 35 2HB LYS 35 -17.152 5.246 -0.031 677 1HG LYS 35 1HG LYS 35 -18.908 5.350 2.184 678 2HG LYS 35 2HG LYS 35 -17.412 4.577 2.716 679 1HD LYS 35 1HD LYS 35 -17.396 7.115 1.109 680 2HD LYS 35 2HD LYS 35 -17.554 7.131 2.868 681 1HE LYS 35 1HE LYS 35 -15.265 6.092 1.216 682 2HE LYS 35 2HE LYS 35 -15.248 7.408 2.389 683 1HZ LYS 35 1HZ LYS 35 -16.050 5.421 3.939 684 2HZ LYS 35 2HZ LYS 35 -15.137 4.533 2.824 685 3HZ LYS 35 3HZ LYS 35 -14.417 5.789 3.698 686 H GLN 36 H GLN 36 -18.922 5.270 -2.383 687 HA GLN 36 HA GLN 36 -20.068 7.824 -1.671 688 1HB GLN 36 1HB GLN 36 -18.953 6.636 -4.193 689 2HB GLN 36 2HB GLN 36 -19.868 8.137 -4.246 690 1HG GLN 36 1HG GLN 36 -18.296 9.234 -2.831 691 2HG GLN 36 2HG GLN 36 -17.455 7.719 -2.502 692 2HE2 GLN 36 2HE2 GLN 36 -18.649 9.035 -5.556 693 1HE2 GLN 36 1HE2 GLN 36 -17.109 9.096 -6.338 694 H SER 37 H SER 37 -21.061 4.896 -3.320 695 HA SER 37 HA SER 37 -23.519 5.984 -4.314 696 1HB SER 37 1HB SER 37 -22.029 3.654 -4.764 697 2HB SER 37 2HB SER 37 -23.539 3.098 -4.043 698 HG SER 37 HG SER 37 -24.057 3.255 -6.128 699 H GLU 38 H GLU 38 -22.476 4.407 -1.389 700 HA GLU 38 HA GLU 38 -25.104 3.753 -0.456 701 1HB GLU 38 1HB GLU 38 -22.497 3.117 0.304 702 2HB GLU 38 2HB GLU 38 -23.124 4.067 1.644 703 1HG GLU 38 1HG GLU 38 -25.058 2.123 0.759 704 2HG GLU 38 2HG GLU 38 -23.522 1.359 1.165 705 H ASP 39 H ASP 39 -23.007 6.523 -0.275 706 HA ASP 39 HA ASP 39 -24.328 7.816 1.893 707 1HB ASP 39 1HB ASP 39 -21.967 8.263 0.931 708 2HB ASP 39 2HB ASP 39 -22.799 9.263 -0.255 709 H ASP 40 H ASP 40 -24.888 7.601 -1.526 710 HA ASP 40 HA ASP 40 -26.639 8.275 -2.819 711 1HB ASP 40 1HB ASP 40 -27.698 8.373 -0.109 712 2HB ASP 40 2HB ASP 40 -28.449 9.576 -1.152 713 H ASP 41 H ASP 41 -28.052 10.389 -3.223 714 HA ASP 41 HA ASP 41 -26.724 12.829 -2.434 715 1HB ASP 41 1HB ASP 41 -26.804 12.181 -5.379 716 2HB ASP 41 2HB ASP 41 -25.981 13.520 -4.584 No H/Q in entry = 716 Start of MODEL 34 1 H1 ALA 1 H1 ALA 1 -32.850 6.437 2.918 2 H2 ALA 1 H2 ALA 1 -32.285 7.413 4.211 3 H3 ALA 1 H3 ALA 1 -32.114 7.950 2.591 4 HA ALA 1 HA ALA 1 -30.526 6.386 2.104 5 1HB ALA 1 1HB ALA 1 -28.779 6.870 3.693 6 2HB ALA 1 2HB ALA 1 -29.968 7.325 4.914 7 3HB ALA 1 3HB ALA 1 -29.772 8.309 3.463 8 H LEU 2 H LEU 2 -31.012 4.254 1.922 9 HA LEU 2 HA LEU 2 -30.703 2.639 4.355 10 1HB LEU 2 1HB LEU 2 -32.676 1.908 2.210 11 2HB LEU 2 2HB LEU 2 -32.528 1.239 3.824 12 HG LEU 2 HG LEU 2 -33.136 4.118 3.741 13 1HD1 LEU 2 1HD1 LEU 2 -34.421 3.085 1.796 14 2HD1 LEU 2 2HD1 LEU 2 -35.330 2.200 3.021 15 3HD1 LEU 2 3HD1 LEU 2 -35.356 3.963 3.007 16 1HD2 LEU 2 1HD2 LEU 2 -33.485 1.831 5.454 17 2HD2 LEU 2 2HD2 LEU 2 -33.601 3.549 5.837 18 3HD2 LEU 2 3HD2 LEU 2 -35.013 2.683 5.230 19 H LYS 3 H LYS 3 -28.579 2.164 3.730 20 HA LYS 3 HA LYS 3 -28.255 0.667 1.226 21 1HB LYS 3 1HB LYS 3 -26.599 2.534 2.678 22 2HB LYS 3 2HB LYS 3 -25.743 1.018 2.434 23 1HG LYS 3 1HG LYS 3 -25.280 2.566 0.632 24 2HG LYS 3 2HG LYS 3 -26.166 1.163 0.032 25 1HD LYS 3 1HD LYS 3 -27.888 3.364 0.889 26 2HD LYS 3 2HD LYS 3 -26.817 3.782 -0.449 27 1HE LYS 3 1HE LYS 3 -27.679 1.388 -1.295 28 2HE LYS 3 2HE LYS 3 -29.078 1.880 -0.340 29 1HZ LYS 3 1HZ LYS 3 -27.936 3.809 -2.226 30 2HZ LYS 3 2HZ LYS 3 -28.857 2.534 -2.849 31 3HZ LYS 3 3HZ LYS 3 -29.540 3.604 -1.733 32 H LYS 4 H LYS 4 -26.431 0.465 4.253 33 HA LYS 4 HA LYS 4 -26.071 -1.248 5.716 34 1HB LYS 4 1HB LYS 4 -28.615 -1.896 4.640 35 2HB LYS 4 2HB LYS 4 -27.665 -3.376 4.653 36 1HG LYS 4 1HG LYS 4 -28.170 -3.605 6.793 37 2HG LYS 4 2HG LYS 4 -27.202 -2.168 7.130 38 1HD LYS 4 1HD LYS 4 -29.879 -1.577 6.111 39 2HD LYS 4 2HD LYS 4 -29.878 -2.441 7.650 40 1HE LYS 4 1HE LYS 4 -28.260 -0.733 8.507 41 2HE LYS 4 2HE LYS 4 -28.513 0.169 7.013 42 1HZ LYS 4 1HZ LYS 4 -31.034 -0.292 7.891 43 2HZ LYS 4 2HZ LYS 4 -30.192 -0.032 9.336 44 3HZ LYS 4 3HZ LYS 4 -30.168 1.143 8.120 45 H HIS 5 H HIS 5 -26.893 -3.221 2.875 46 HA HIS 5 HA HIS 5 -24.765 -4.935 2.979 47 1HB HIS 5 1HB HIS 5 -25.185 -5.469 0.676 48 2HB HIS 5 2HB HIS 5 -26.733 -5.089 1.426 49 HD1 HIS 5 HD1 HIS 5 -25.687 -4.798 -1.691 50 HD2 HIS 5 HD2 HIS 5 -26.592 -1.807 1.048 51 HE1 HIS 5 HE1 HIS 5 -26.229 -2.766 -3.069 52 HE2 HIS 5 HE2 HIS 5 -26.775 -0.968 -1.393 53 H HIS 6 H HIS 6 -24.814 -1.653 1.833 54 HA HIS 6 HA HIS 6 -22.346 -1.713 0.431 55 1HB HIS 6 1HB HIS 6 -24.188 0.402 1.431 56 2HB HIS 6 2HB HIS 6 -22.531 0.878 1.076 57 HD1 HIS 6 HD1 HIS 6 -24.114 -1.748 -1.037 58 HD2 HIS 6 HD2 HIS 6 -23.421 2.348 -1.161 59 HE1 HIS 6 HE1 HIS 6 -24.584 -1.058 -3.409 60 HE2 HIS 6 HE2 HIS 6 -24.159 1.426 -3.462 61 H GLU 7 H GLU 7 -23.222 -0.644 3.714 62 HA GLU 7 HA GLU 7 -20.662 0.106 4.536 63 1HB GLU 7 1HB GLU 7 -21.494 0.016 6.774 64 2HB GLU 7 2HB GLU 7 -22.811 0.568 5.751 65 1HG GLU 7 1HG GLU 7 -24.099 -1.133 6.348 66 2HG GLU 7 2HG GLU 7 -22.825 -2.305 6.012 67 H ASN 8 H ASN 8 -22.048 -3.013 4.028 68 HA ASN 8 HA ASN 8 -20.288 -4.493 5.713 69 1HB ASN 8 1HB ASN 8 -22.518 -5.054 4.037 70 2HB ASN 8 2HB ASN 8 -21.191 -6.088 3.518 71 2HD2 ASN 8 2HD2 ASN 8 -23.517 -5.440 5.941 72 1HD2 ASN 8 1HD2 ASN 8 -23.142 -6.771 6.977 73 H GLU 9 H GLU 9 -20.440 -4.194 2.150 74 HA GLU 9 HA GLU 9 -17.831 -5.315 1.804 75 1HB GLU 9 1HB GLU 9 -19.499 -3.697 -0.133 76 2HB GLU 9 2HB GLU 9 -18.091 -4.665 -0.547 77 1HG GLU 9 1HG GLU 9 -19.330 -6.482 -0.753 78 2HG GLU 9 2HG GLU 9 -19.995 -6.271 0.867 79 H ILE 10 H ILE 10 -18.856 -2.324 2.886 80 HA ILE 10 HA ILE 10 -16.652 -0.800 1.776 81 HB ILE 10 HB ILE 10 -19.052 -0.112 3.464 82 1HG1 ILE 10 1HG1 ILE 10 -18.136 1.119 0.874 83 2HG1 ILE 10 2HG1 ILE 10 -19.112 -0.346 0.922 84 1HG2 ILE 10 1HG2 ILE 10 -17.110 1.157 4.346 85 2HG2 ILE 10 2HG2 ILE 10 -16.885 1.849 2.739 86 3HG2 ILE 10 3HG2 ILE 10 -18.367 2.172 3.641 87 1HD1 ILE 10 1HD1 ILE 10 -20.713 1.065 2.379 88 2HD1 ILE 10 2HD1 ILE 10 -19.845 2.439 1.696 89 3HD1 ILE 10 3HD1 ILE 10 -20.685 1.312 0.633 90 H SER 11 H SER 11 -17.632 -2.399 4.713 91 HA SER 11 HA SER 11 -15.568 -1.196 6.329 92 1HB SER 11 1HB SER 11 -16.267 -3.061 7.953 93 2HB SER 11 2HB SER 11 -17.492 -1.858 7.551 94 HG SER 11 HG SER 11 -18.462 -3.821 7.330 95 H HIS 12 H HIS 12 -16.020 -4.040 4.375 96 HA HIS 12 HA HIS 12 -13.665 -5.371 5.327 97 1HB HIS 12 1HB HIS 12 -14.952 -7.035 4.499 98 2HB HIS 12 2HB HIS 12 -15.871 -5.937 3.482 99 HD1 HIS 12 HD1 HIS 12 -13.030 -8.340 3.419 100 HD2 HIS 12 HD2 HIS 12 -14.917 -5.680 0.846 101 HE1 HIS 12 HE1 HIS 12 -12.192 -8.924 1.119 102 HE2 HIS 12 HE2 HIS 12 -13.348 -7.302 -0.425 103 H HIS 13 H HIS 13 -14.535 -3.580 2.345 104 HA HIS 13 HA HIS 13 -11.948 -3.763 1.205 105 1HB HIS 13 1HB HIS 13 -14.133 -1.725 0.786 106 2HB HIS 13 2HB HIS 13 -12.672 -1.817 -0.184 107 HD1 HIS 13 HD1 HIS 13 -12.812 -5.054 -0.304 108 HD2 HIS 13 HD2 HIS 13 -15.753 -2.316 -1.323 109 HE1 HIS 13 HE1 HIS 13 -14.311 -6.263 -1.927 110 HE2 HIS 13 HE2 HIS 13 -16.094 -4.585 -2.535 111 H ALA 14 H ALA 14 -13.368 -1.708 3.618 112 HA ALA 14 HA ALA 14 -11.519 0.429 3.480 113 1HB ALA 14 1HB ALA 14 -12.280 0.703 5.961 114 2HB ALA 14 2HB ALA 14 -13.431 0.978 4.653 115 3HB ALA 14 3HB ALA 14 -13.452 -0.546 5.541 116 H LYS 15 H LYS 15 -11.668 -2.441 5.599 117 HA LYS 15 HA LYS 15 -9.246 -1.883 6.951 118 1HB LYS 15 1HB LYS 15 -9.330 -4.343 7.537 119 2HB LYS 15 2HB LYS 15 -10.751 -3.408 7.981 120 1HG LYS 15 1HG LYS 15 -12.006 -4.300 6.171 121 2HG LYS 15 2HG LYS 15 -10.569 -5.037 5.461 122 1HD LYS 15 1HD LYS 15 -11.901 -5.793 8.060 123 2HD LYS 15 2HD LYS 15 -11.865 -6.739 6.571 124 1HE LYS 15 1HE LYS 15 -10.163 -7.759 7.691 125 2HE LYS 15 2HE LYS 15 -9.251 -6.472 6.904 126 1HZ LYS 15 1HZ LYS 15 -10.305 -5.574 9.376 127 2HZ LYS 15 2HZ LYS 15 -9.409 -6.989 9.610 128 3HZ LYS 15 3HZ LYS 15 -8.693 -5.647 8.869 129 H GLU 16 H GLU 16 -9.993 -3.354 3.904 130 HA GLU 16 HA GLU 16 -7.522 -4.698 3.512 131 1HB GLU 16 1HB GLU 16 -9.849 -3.958 1.811 132 2HB GLU 16 2HB GLU 16 -8.343 -4.370 1.001 133 1HG GLU 16 1HG GLU 16 -9.992 -6.247 1.336 134 2HG GLU 16 2HG GLU 16 -8.341 -6.548 1.877 135 H ILE 17 H ILE 17 -8.726 -1.479 2.585 136 HA ILE 17 HA ILE 17 -6.441 -0.800 1.051 137 HB ILE 17 HB ILE 17 -7.339 1.318 0.800 138 1HG1 ILE 17 1HG1 ILE 17 -9.274 1.969 2.574 139 2HG1 ILE 17 2HG1 ILE 17 -8.240 0.996 3.615 140 1HG2 ILE 17 1HG2 ILE 17 -9.098 -0.858 0.725 141 2HG2 ILE 17 2HG2 ILE 17 -10.009 0.488 1.404 142 3HG2 ILE 17 3HG2 ILE 17 -9.214 0.661 -0.157 143 1HD1 ILE 17 1HD1 ILE 17 -7.073 3.185 1.955 144 2HD1 ILE 17 2HD1 ILE 17 -7.874 3.543 3.484 145 3HD1 ILE 17 3HD1 ILE 17 -6.473 2.472 3.452 146 H GLU 18 H GLU 18 -7.254 -0.448 4.455 147 HA GLU 18 HA GLU 18 -5.036 1.207 5.116 148 1HB GLU 18 1HB GLU 18 -6.853 -0.545 6.765 149 2HB GLU 18 2HB GLU 18 -5.542 0.385 7.477 150 1HG GLU 18 1HG GLU 18 -7.672 1.662 5.798 151 2HG GLU 18 2HG GLU 18 -7.863 1.406 7.532 152 H ARG 19 H ARG 19 -5.510 -2.219 4.758 153 HA ARG 19 HA ARG 19 -3.181 -3.046 6.168 154 1HB ARG 19 1HB ARG 19 -5.377 -4.309 5.056 155 2HB ARG 19 2HB ARG 19 -4.046 -4.843 4.039 156 1HG ARG 19 1HG ARG 19 -4.168 -6.453 5.711 157 2HG ARG 19 2HG ARG 19 -2.843 -5.406 6.224 158 1HD ARG 19 1HD ARG 19 -3.920 -4.782 8.080 159 2HD ARG 19 2HD ARG 19 -5.429 -4.512 7.210 160 HE ARG 19 HE ARG 19 -5.209 -7.229 7.377 161 1HH1 ARG 19 1HH1 ARG 19 -5.212 -4.608 9.669 162 2HH1 ARG 19 2HH1 ARG 19 -5.913 -5.549 10.943 163 1HH2 ARG 19 1HH2 ARG 19 -6.131 -8.480 9.047 164 2HH2 ARG 19 2HH2 ARG 19 -6.434 -7.752 10.589 165 H LEU 20 H LEU 20 -3.857 -2.423 2.727 166 HA LEU 20 HA LEU 20 -1.253 -3.220 1.881 167 1HB LEU 20 1HB LEU 20 -3.526 -1.763 0.569 168 2HB LEU 20 2HB LEU 20 -1.975 -1.926 -0.233 169 HG LEU 20 HG LEU 20 -3.344 -3.660 -1.076 170 1HD1 LEU 20 1HD1 LEU 20 -1.009 -4.268 -0.379 171 2HD1 LEU 20 2HD1 LEU 20 -1.708 -4.987 1.071 172 3HD1 LEU 20 3HD1 LEU 20 -2.133 -5.620 -0.519 173 1HD2 LEU 20 1HD2 LEU 20 -4.056 -4.203 1.797 174 2HD2 LEU 20 2HD2 LEU 20 -5.127 -3.698 0.491 175 3HD2 LEU 20 3HD2 LEU 20 -4.422 -5.314 0.477 176 H GLN 21 H GLN 21 -2.698 -0.269 3.015 177 HA GLN 21 HA GLN 21 -0.612 1.458 2.076 178 1HB GLN 21 1HB GLN 21 -3.157 1.829 3.134 179 2HB GLN 21 2HB GLN 21 -2.086 2.447 4.384 180 1HG GLN 21 1HG GLN 21 -1.165 4.061 2.958 181 2HG GLN 21 2HG GLN 21 -1.811 3.276 1.517 182 2HE2 GLN 21 2HE2 GLN 21 -3.557 3.845 4.505 183 1HE2 GLN 21 1HE2 GLN 21 -4.693 4.968 3.849 184 H LYS 22 H LYS 22 -1.170 -0.502 4.882 185 HA LYS 22 HA LYS 22 0.846 0.763 6.494 186 1HB LYS 22 1HB LYS 22 -1.163 -1.273 6.846 187 2HB LYS 22 2HB LYS 22 0.384 -1.850 7.450 188 1HG LYS 22 1HG LYS 22 -0.212 -0.810 9.335 189 2HG LYS 22 2HG LYS 22 0.311 0.652 8.498 190 1HD LYS 22 1HD LYS 22 -2.464 -0.226 7.989 191 2HD LYS 22 2HD LYS 22 -2.118 0.373 9.613 192 1HE LYS 22 1HE LYS 22 -1.183 1.926 7.242 193 2HE LYS 22 2HE LYS 22 -2.877 2.016 7.721 194 1HZ LYS 22 1HZ LYS 22 -1.136 2.319 9.956 195 2HZ LYS 22 2HZ LYS 22 -0.806 3.475 8.764 196 3HZ LYS 22 3HZ LYS 22 -2.364 3.344 9.407 197 H GLU 23 H GLU 23 0.654 -1.901 4.244 198 HA GLU 23 HA GLU 23 3.188 -3.040 4.893 199 1HB GLU 23 1HB GLU 23 1.616 -3.277 2.320 200 2HB GLU 23 2HB GLU 23 2.916 -4.336 2.848 201 1HG GLU 23 1HG GLU 23 0.658 -4.069 4.713 202 2HG GLU 23 2HG GLU 23 0.301 -4.867 3.182 203 H ILE 24 H ILE 24 2.060 -0.836 2.345 204 HA ILE 24 HA ILE 24 4.552 -0.544 1.057 205 HB ILE 24 HB ILE 24 2.705 0.166 -0.205 206 1HG1 ILE 24 1HG1 ILE 24 3.204 2.337 -0.916 207 2HG1 ILE 24 2HG1 ILE 24 3.620 2.880 0.702 208 1HG2 ILE 24 1HG2 ILE 24 1.679 1.031 2.293 209 2HG2 ILE 24 2HG2 ILE 24 1.566 2.362 1.145 210 3HG2 ILE 24 3HG2 ILE 24 0.836 0.804 0.762 211 1HD1 ILE 24 1HD1 ILE 24 5.388 0.788 -0.136 212 2HD1 ILE 24 2HD1 ILE 24 5.341 2.088 -1.327 213 3HD1 ILE 24 3HD1 ILE 24 5.747 2.445 0.350 214 H GLU 25 H GLU 25 3.073 1.109 3.793 215 HA GLU 25 HA GLU 25 4.914 3.224 4.019 216 1HB GLU 25 1HB GLU 25 2.693 3.012 5.196 217 2HB GLU 25 2HB GLU 25 3.465 1.882 6.301 218 1HG GLU 25 1HG GLU 25 4.688 3.508 7.334 219 2HG GLU 25 2HG GLU 25 4.721 4.544 5.908 220 H ARG 26 H ARG 26 4.868 0.014 5.568 221 HA ARG 26 HA ARG 26 7.221 0.389 7.080 222 1HB ARG 26 1HB ARG 26 5.625 -1.365 7.617 223 2HB ARG 26 2HB ARG 26 5.935 -2.154 6.076 224 1HG ARG 26 1HG ARG 26 7.270 -3.429 7.380 225 2HG ARG 26 2HG ARG 26 8.421 -2.141 7.019 226 1HD ARG 26 1HD ARG 26 8.425 -1.379 9.135 227 2HD ARG 26 2HD ARG 26 6.692 -1.632 9.334 228 HE ARG 26 HE ARG 26 8.213 -4.068 9.295 229 1HH1 ARG 26 1HH1 ARG 26 7.043 -1.457 11.280 230 2HH1 ARG 26 2HH1 ARG 26 7.105 -2.373 12.748 231 1HH2 ARG 26 1HH2 ARG 26 8.298 -5.285 11.223 232 2HH2 ARG 26 2HH2 ARG 26 7.818 -4.549 12.716 233 H HIS 27 H HIS 27 6.681 -0.803 3.810 234 HA HIS 27 HA HIS 27 9.370 -1.676 3.429 235 1HB HIS 27 1HB HIS 27 6.903 -1.810 2.000 236 2HB HIS 27 2HB HIS 27 8.120 -1.127 0.932 237 HD1 HIS 27 HD1 HIS 27 10.322 -2.634 0.601 238 HD2 HIS 27 HD2 HIS 27 7.052 -4.514 2.342 239 HE1 HIS 27 HE1 HIS 27 10.782 -5.099 0.406 240 HE2 HIS 27 HE2 HIS 27 8.790 -6.219 1.466 241 H LYS 28 H LYS 28 7.718 1.341 3.221 242 HA LYS 28 HA LYS 28 9.587 2.604 1.453 243 1HB LYS 28 1HB LYS 28 7.211 3.343 1.740 244 2HB LYS 28 2HB LYS 28 7.629 3.902 3.354 245 1HG LYS 28 1HG LYS 28 9.525 5.109 1.773 246 2HG LYS 28 2HG LYS 28 8.073 5.153 0.770 247 1HD LYS 28 1HD LYS 28 7.969 5.974 3.650 248 2HD LYS 28 2HD LYS 28 8.524 7.103 2.412 249 1HE LYS 28 1HE LYS 28 6.445 6.992 1.264 250 2HE LYS 28 2HE LYS 28 5.904 5.632 2.245 251 1HZ LYS 28 1HZ LYS 28 6.573 7.825 3.900 252 2HZ LYS 28 2HZ LYS 28 5.468 8.321 2.718 253 3HZ LYS 28 3HZ LYS 28 5.090 7.027 3.741 254 H GLN 29 H GLN 29 9.226 2.198 4.903 255 HA GLN 29 HA GLN 29 11.184 4.142 5.637 256 1HB GLN 29 1HB GLN 29 9.499 3.488 7.242 257 2HB GLN 29 2HB GLN 29 10.005 1.807 7.150 258 1HG GLN 29 1HG GLN 29 12.311 3.162 7.855 259 2HG GLN 29 2HG GLN 29 11.036 3.969 8.769 260 2HE2 GLN 29 2HE2 GLN 29 9.797 2.750 10.239 261 1HE2 GLN 29 1HE2 GLN 29 10.381 1.258 10.884 262 H SER 30 H SER 30 11.214 0.650 5.091 263 HA SER 30 HA SER 30 13.916 0.274 5.907 264 1HB SER 30 1HB SER 30 13.707 -1.947 4.920 265 2HB SER 30 2HB SER 30 12.250 -1.560 5.836 266 HG SER 30 HG SER 30 12.192 -2.437 3.493 267 H ILE 31 H ILE 31 12.364 0.823 2.775 268 HA ILE 31 HA ILE 31 14.778 0.533 1.262 269 HB ILE 31 HB ILE 31 12.615 0.117 0.229 270 1HG1 ILE 31 1HG1 ILE 31 12.826 1.695 -1.763 271 2HG1 ILE 31 2HG1 ILE 31 14.158 2.459 -0.897 272 1HG2 ILE 31 1HG2 ILE 31 11.758 2.286 1.635 273 2HG2 ILE 31 2HG2 ILE 31 11.856 2.940 0.002 274 3HG2 ILE 31 3HG2 ILE 31 10.868 1.523 0.325 275 1HD1 ILE 31 1HD1 ILE 31 15.131 0.074 -0.782 276 2HD1 ILE 31 2HD1 ILE 31 13.983 -0.275 -2.076 277 3HD1 ILE 31 3HD1 ILE 31 15.216 0.967 -2.302 278 H LYS 32 H LYS 32 13.223 3.114 2.967 279 HA LYS 32 HA LYS 32 14.636 5.228 1.618 280 1HB LYS 32 1HB LYS 32 12.450 5.685 2.574 281 2HB LYS 32 2HB LYS 32 13.013 5.205 4.169 282 1HG LYS 32 1HG LYS 32 14.304 7.122 4.428 283 2HG LYS 32 2HG LYS 32 14.311 7.464 2.697 284 1HD LYS 32 1HD LYS 32 12.798 9.022 3.486 285 2HD LYS 32 2HD LYS 32 11.737 7.696 3.008 286 1HE LYS 32 1HE LYS 32 11.301 7.083 5.190 287 2HE LYS 32 2HE LYS 32 12.787 7.809 5.800 288 1HZ LYS 32 1HZ LYS 32 11.123 9.791 4.656 289 2HZ LYS 32 2HZ LYS 32 10.254 8.915 5.812 290 3HZ LYS 32 3HZ LYS 32 11.704 9.675 6.240 291 H LYS 33 H LYS 33 15.069 3.265 4.475 292 HA LYS 33 HA LYS 33 17.154 4.869 5.604 293 1HB LYS 33 1HB LYS 33 15.950 2.203 6.178 294 2HB LYS 33 2HB LYS 33 17.553 2.535 6.822 295 1HG LYS 33 1HG LYS 33 16.390 4.752 7.644 296 2HG LYS 33 2HG LYS 33 14.936 3.759 7.509 297 1HD LYS 33 1HD LYS 33 15.730 2.199 9.082 298 2HD LYS 33 2HD LYS 33 17.381 2.816 8.981 299 1HE LYS 33 1HE LYS 33 16.042 5.037 9.771 300 2HE LYS 33 2HE LYS 33 15.088 3.778 10.552 301 1HZ LYS 33 1HZ LYS 33 17.163 2.918 11.520 302 2HZ LYS 33 2HZ LYS 33 18.011 4.214 10.841 303 3HZ LYS 33 3HZ LYS 33 16.828 4.498 12.016 304 H LEU 34 H LEU 34 16.990 2.073 3.482 305 HA LEU 34 HA LEU 34 19.797 1.547 3.509 306 1HB LEU 34 1HB LEU 34 17.421 0.489 2.170 307 2HB LEU 34 2HB LEU 34 18.852 0.468 1.159 308 HG LEU 34 HG LEU 34 18.974 -0.655 3.933 309 1HD1 LEU 34 1HD1 LEU 34 17.841 -1.996 1.489 310 2HD1 LEU 34 2HD1 LEU 34 18.446 -2.879 2.891 311 3HD1 LEU 34 3HD1 LEU 34 17.076 -1.782 3.063 312 1HD2 LEU 34 1HD2 LEU 34 20.756 -0.386 1.767 313 2HD2 LEU 34 2HD2 LEU 34 21.019 -1.228 3.295 314 3HD2 LEU 34 3HD2 LEU 34 20.374 -2.102 1.905 315 H LYS 35 H LYS 35 17.619 3.395 1.446 316 HA LYS 35 HA LYS 35 19.595 3.989 -0.533 317 1HB LYS 35 1HB LYS 35 17.129 3.997 -0.953 318 2HB LYS 35 2HB LYS 35 17.010 5.451 0.029 319 1HG LYS 35 1HG LYS 35 18.959 6.118 -1.774 320 2HG LYS 35 2HG LYS 35 17.867 5.119 -2.736 321 1HD LYS 35 1HD LYS 35 17.010 7.467 -1.048 322 2HD LYS 35 2HD LYS 35 17.300 7.535 -2.787 323 1HE LYS 35 1HE LYS 35 15.378 5.556 -1.614 324 2HE LYS 35 2HE LYS 35 14.882 7.216 -1.939 325 1HZ LYS 35 1HZ LYS 35 16.220 5.712 -4.071 326 2HZ LYS 35 2HZ LYS 35 14.602 5.357 -3.732 327 3HZ LYS 35 3HZ LYS 35 15.049 6.926 -4.183 328 H GLN 36 H GLN 36 18.524 5.461 2.441 329 HA GLN 36 HA GLN 36 19.796 7.985 1.993 330 1HB GLN 36 1HB GLN 36 17.903 7.796 3.521 331 2HB GLN 36 2HB GLN 36 18.812 6.691 4.542 332 1HG GLN 36 1HG GLN 36 20.506 8.670 4.682 333 2HG GLN 36 2HG GLN 36 19.109 9.633 4.202 334 2HE2 GLN 36 2HE2 GLN 36 18.909 10.709 6.123 335 1HE2 GLN 36 1HE2 GLN 36 18.419 9.944 7.592 336 H SER 37 H SER 37 20.728 4.924 3.390 337 HA SER 37 HA SER 37 23.069 5.849 4.713 338 1HB SER 37 1HB SER 37 21.662 3.471 4.646 339 2HB SER 37 2HB SER 37 23.163 3.067 3.811 340 HG SER 37 HG SER 37 23.590 2.758 5.934 341 H GLU 38 H GLU 38 22.325 4.941 1.449 342 HA GLU 38 HA GLU 38 24.969 4.429 0.563 343 1HB GLU 38 1HB GLU 38 23.098 3.636 -0.733 344 2HB GLU 38 2HB GLU 38 22.485 5.272 -0.934 345 1HG GLU 38 1HG GLU 38 24.678 5.765 -2.136 346 2HG GLU 38 2HG GLU 38 24.902 4.016 -2.184 347 H ASP 39 H ASP 39 23.092 7.333 1.002 348 HA ASP 39 HA ASP 39 24.925 8.997 -0.485 349 1HB ASP 39 1HB ASP 39 22.314 9.312 0.794 350 2HB ASP 39 2HB ASP 39 23.371 10.700 1.040 351 H ASP 40 H ASP 40 24.514 7.925 2.779 352 HA ASP 40 HA ASP 40 25.839 8.149 4.619 353 1HB ASP 40 1HB ASP 40 27.587 8.665 2.452 354 2HB ASP 40 2HB ASP 40 27.916 9.891 3.674 355 H ASP 41 H ASP 41 25.697 9.485 6.336 356 HA ASP 41 HA ASP 41 25.460 12.366 5.895 357 1HB ASP 41 1HB ASP 41 23.403 10.677 7.330 358 2HB ASP 41 2HB ASP 41 23.476 12.434 7.434 359 H1 ALA 1 H1 ALA 1 32.850 6.447 -2.916 360 H2 ALA 1 H2 ALA 1 32.286 7.423 -4.210 361 H3 ALA 1 H3 ALA 1 32.114 7.959 -2.589 362 HA ALA 1 HA ALA 1 30.526 6.394 -2.103 363 1HB ALA 1 1HB ALA 1 28.779 6.879 -3.692 364 2HB ALA 1 2HB ALA 1 29.773 8.317 -3.462 365 3HB ALA 1 3HB ALA 1 29.968 7.334 -4.913 366 H LEU 2 H LEU 2 31.013 4.263 -1.923 367 HA LEU 2 HA LEU 2 30.705 2.648 -4.357 368 1HB LEU 2 1HB LEU 2 32.678 1.917 -2.211 369 2HB LEU 2 2HB LEU 2 32.530 1.248 -3.826 370 HG LEU 2 HG LEU 2 33.138 4.127 -3.742 371 1HD1 LEU 2 1HD1 LEU 2 34.423 3.094 -1.798 372 2HD1 LEU 2 2HD1 LEU 2 35.331 2.209 -3.023 373 3HD1 LEU 2 3HD1 LEU 2 35.357 3.972 -3.009 374 1HD2 LEU 2 1HD2 LEU 2 33.486 1.841 -5.456 375 2HD2 LEU 2 2HD2 LEU 2 33.602 3.558 -5.838 376 3HD2 LEU 2 3HD2 LEU 2 35.014 2.693 -5.232 377 H LYS 3 H LYS 3 28.581 2.175 -3.731 378 HA LYS 3 HA LYS 3 28.256 0.677 -1.228 379 1HB LYS 3 1HB LYS 3 26.600 2.544 -2.679 380 2HB LYS 3 2HB LYS 3 25.745 1.027 -2.437 381 1HG LYS 3 1HG LYS 3 25.281 2.574 -0.634 382 2HG LYS 3 2HG LYS 3 26.167 1.171 -0.034 383 1HD LYS 3 1HD LYS 3 27.888 3.373 -0.890 384 2HD LYS 3 2HD LYS 3 26.816 3.790 0.449 385 1HE LYS 3 1HE LYS 3 27.680 1.395 1.295 386 2HE LYS 3 2HE LYS 3 29.078 1.887 0.338 387 1HZ LYS 3 1HZ LYS 3 27.936 3.816 2.225 388 2HZ LYS 3 2HZ LYS 3 28.857 2.541 2.848 389 3HZ LYS 3 3HZ LYS 3 29.541 3.612 1.732 390 H LYS 4 H LYS 4 26.433 0.474 -4.255 391 HA LYS 4 HA LYS 4 26.075 -1.240 -5.719 392 1HB LYS 4 1HB LYS 4 28.618 -1.886 -4.641 393 2HB LYS 4 2HB LYS 4 27.670 -3.367 -4.655 394 1HG LYS 4 1HG LYS 4 28.176 -3.596 -6.795 395 2HG LYS 4 2HG LYS 4 27.206 -2.160 -7.132 396 1HD LYS 4 1HD LYS 4 29.882 -1.565 -6.113 397 2HD LYS 4 2HD LYS 4 29.883 -2.429 -7.651 398 1HE LYS 4 1HE LYS 4 28.262 -0.723 -8.508 399 2HE LYS 4 2HE LYS 4 28.515 0.179 -7.015 400 1HZ LYS 4 1HZ LYS 4 31.034 -0.281 -7.894 401 2HZ LYS 4 2HZ LYS 4 30.192 -0.020 -9.338 402 3HZ LYS 4 3HZ LYS 4 30.168 1.155 -8.121 403 H HIS 5 H HIS 5 26.898 -3.212 -2.878 404 HA HIS 5 HA HIS 5 24.771 -4.927 -2.979 405 1HB HIS 5 1HB HIS 5 25.192 -5.460 -0.678 406 2HB HIS 5 2HB HIS 5 26.738 -5.079 -1.427 407 HD1 HIS 5 HD1 HIS 5 25.693 -4.790 1.690 408 HD2 HIS 5 HD2 HIS 5 26.595 -1.798 -1.049 409 HE1 HIS 5 HE1 HIS 5 26.233 -2.757 3.069 410 HE2 HIS 5 HE2 HIS 5 26.776 -0.958 1.391 411 H HIS 6 H HIS 6 24.818 -1.643 -1.834 412 HA HIS 6 HA HIS 6 22.349 -1.706 -0.432 413 1HB HIS 6 1HB HIS 6 24.190 0.411 -1.433 414 2HB HIS 6 2HB HIS 6 22.532 0.886 -1.076 415 HD1 HIS 6 HD1 HIS 6 24.116 -1.740 1.035 416 HD2 HIS 6 HD2 HIS 6 23.426 2.356 1.160 417 HE1 HIS 6 HE1 HIS 6 24.587 -1.051 3.407 418 HE2 HIS 6 HE2 HIS 6 24.164 1.432 3.461 419 H GLU 7 H GLU 7 23.227 -0.636 -3.715 420 HA GLU 7 HA GLU 7 20.667 0.112 -4.539 421 1HB GLU 7 1HB GLU 7 21.500 0.025 -6.777 422 2HB GLU 7 2HB GLU 7 22.817 0.577 -5.752 423 1HG GLU 7 1HG GLU 7 24.106 -1.123 -6.351 424 2HG GLU 7 2HG GLU 7 22.833 -2.296 -6.017 425 H ASN 8 H ASN 8 22.057 -3.006 -4.030 426 HA ASN 8 HA ASN 8 20.300 -4.487 -5.718 427 1HB ASN 8 1HB ASN 8 22.531 -5.046 -4.044 428 2HB ASN 8 2HB ASN 8 21.205 -6.081 -3.520 429 2HD2 ASN 8 2HD2 ASN 8 23.525 -5.432 -5.952 430 1HD2 ASN 8 1HD2 ASN 8 23.149 -6.766 -6.983 431 H GLU 9 H GLU 9 20.448 -4.185 -2.156 432 HA GLU 9 HA GLU 9 17.840 -5.310 -1.813 433 1HB GLU 9 1HB GLU 9 19.506 -3.693 0.127 434 2HB GLU 9 2HB GLU 9 18.097 -4.662 0.539 435 1HG GLU 9 1HG GLU 9 19.336 -6.480 0.745 436 2HG GLU 9 2HG GLU 9 20.003 -6.267 -0.873 437 H ILE 10 H ILE 10 18.862 -2.319 -2.896 438 HA ILE 10 HA ILE 10 16.656 -0.799 -1.784 439 HB ILE 10 HB ILE 10 19.058 -0.105 -3.466 440 1HG1 ILE 10 1HG1 ILE 10 18.137 1.121 -0.875 441 2HG1 ILE 10 2HG1 ILE 10 19.115 -0.343 -0.924 442 1HG2 ILE 10 1HG2 ILE 10 17.113 1.163 -4.348 443 2HG2 ILE 10 2HG2 ILE 10 16.889 1.855 -2.740 444 3HG2 ILE 10 3HG2 ILE 10 18.370 2.179 -3.642 445 1HD1 ILE 10 1HD1 ILE 10 20.717 1.071 -2.377 446 2HD1 ILE 10 2HD1 ILE 10 19.846 2.444 -1.695 447 3HD1 ILE 10 3HD1 ILE 10 20.685 1.316 -0.631 448 H SER 11 H SER 11 17.642 -2.396 -4.719 449 HA SER 11 HA SER 11 15.581 -1.194 -6.340 450 1HB SER 11 1HB SER 11 16.287 -3.057 -7.963 451 2HB SER 11 2HB SER 11 17.509 -1.853 -7.556 452 HG SER 11 HG SER 11 18.478 -3.821 -7.336 453 H HIS 12 H HIS 12 16.039 -4.043 -4.393 454 HA HIS 12 HA HIS 12 13.686 -5.378 -5.345 455 1HB HIS 12 1HB HIS 12 14.974 -7.040 -4.512 456 2HB HIS 12 2HB HIS 12 15.891 -5.940 -3.497 457 HD1 HIS 12 HD1 HIS 12 13.058 -8.350 -3.429 458 HD2 HIS 12 HD2 HIS 12 14.928 -5.673 -0.861 459 HE1 HIS 12 HE1 HIS 12 12.215 -8.926 -1.130 460 HE2 HIS 12 HE2 HIS 12 13.360 -7.294 0.411 461 H HIS 13 H HIS 13 14.558 -3.600 -2.355 462 HA HIS 13 HA HIS 13 11.974 -3.776 -1.216 463 1HB HIS 13 1HB HIS 13 14.161 -1.739 -0.807 464 2HB HIS 13 2HB HIS 13 12.698 -1.821 0.162 465 HD1 HIS 13 HD1 HIS 13 12.826 -5.058 0.295 466 HD2 HIS 13 HD2 HIS 13 15.771 -2.325 1.317 467 HE1 HIS 13 HE1 HIS 13 14.314 -6.264 1.930 468 HE2 HIS 13 HE2 HIS 13 16.099 -4.590 2.539 469 H ALA 14 H ALA 14 13.393 -1.721 -3.629 470 HA ALA 14 HA ALA 14 11.548 0.415 -3.504 471 1HB ALA 14 1HB ALA 14 13.466 -0.581 -5.567 472 2HB ALA 14 2HB ALA 14 13.455 0.948 -4.689 473 3HB ALA 14 3HB ALA 14 12.296 0.670 -5.989 474 H LYS 15 H LYS 15 11.673 -2.459 -5.621 475 HA LYS 15 HA LYS 15 9.244 -1.890 -6.954 476 1HB LYS 15 1HB LYS 15 9.314 -4.359 -7.530 477 2HB LYS 15 2HB LYS 15 10.724 -3.421 -8.003 478 1HG LYS 15 1HG LYS 15 12.012 -4.297 -6.210 479 2HG LYS 15 2HG LYS 15 10.590 -5.040 -5.473 480 1HD LYS 15 1HD LYS 15 11.900 -5.800 -8.081 481 2HD LYS 15 2HD LYS 15 11.862 -6.746 -6.592 482 1HE LYS 15 1HE LYS 15 10.157 -7.759 -7.713 483 2HE LYS 15 2HE LYS 15 9.250 -6.473 -6.918 484 1HZ LYS 15 1HZ LYS 15 10.295 -5.567 -9.389 485 2HZ LYS 15 2HZ LYS 15 9.399 -6.981 -9.627 486 3HZ LYS 15 3HZ LYS 15 8.686 -5.643 -8.877 487 H GLU 16 H GLU 16 10.001 -3.381 -3.920 488 HA GLU 16 HA GLU 16 7.521 -4.707 -3.517 489 1HB GLU 16 1HB GLU 16 9.864 -3.994 -1.823 490 2HB GLU 16 2HB GLU 16 8.361 -4.410 -1.013 491 1HG GLU 16 1HG GLU 16 9.995 -6.289 -1.366 492 2HG GLU 16 2HG GLU 16 8.347 -6.577 -1.922 493 H ILE 17 H ILE 17 8.754 -1.501 -2.601 494 HA ILE 17 HA ILE 17 6.501 -0.821 -1.024 495 HB ILE 17 HB ILE 17 7.417 1.301 -0.792 496 1HG1 ILE 17 1HG1 ILE 17 9.368 1.884 -2.585 497 2HG1 ILE 17 2HG1 ILE 17 8.272 0.961 -3.606 498 1HG2 ILE 17 1HG2 ILE 17 9.133 -0.904 -0.716 499 2HG2 ILE 17 2HG2 ILE 17 10.066 0.443 -1.365 500 3HG2 ILE 17 3HG2 ILE 17 9.243 0.601 0.183 501 1HD1 ILE 17 1HD1 ILE 17 7.218 3.178 -1.915 502 2HD1 ILE 17 2HD1 ILE 17 8.026 3.528 -3.443 503 3HD1 ILE 17 3HD1 ILE 17 6.583 2.514 -3.420 504 H GLU 18 H GLU 18 7.254 -0.473 -4.435 505 HA GLU 18 HA GLU 18 5.046 1.222 -5.051 506 1HB GLU 18 1HB GLU 18 6.839 -0.521 -6.735 507 2HB GLU 18 2HB GLU 18 5.521 0.414 -7.427 508 1HG GLU 18 1HG GLU 18 7.650 1.692 -5.752 509 2HG GLU 18 2HG GLU 18 7.859 1.423 -7.482 510 H ARG 19 H ARG 19 5.501 -2.215 -4.749 511 HA ARG 19 HA ARG 19 3.154 -3.010 -6.144 512 1HB ARG 19 1HB ARG 19 5.344 -4.299 -5.033 513 2HB ARG 19 2HB ARG 19 3.999 -4.833 -4.033 514 1HG ARG 19 1HG ARG 19 4.115 -6.427 -5.717 515 2HG ARG 19 2HG ARG 19 2.813 -5.357 -6.242 516 1HD ARG 19 1HD ARG 19 3.925 -4.741 -8.078 517 2HD ARG 19 2HD ARG 19 5.423 -4.489 -7.183 518 HE ARG 19 HE ARG 19 5.197 -7.198 -7.360 519 1HH1 ARG 19 1HH1 ARG 19 5.205 -4.583 -9.660 520 2HH1 ARG 19 2HH1 ARG 19 5.904 -5.530 -10.931 521 1HH2 ARG 19 1HH2 ARG 19 6.119 -8.455 -9.027 522 2HH2 ARG 19 2HH2 ARG 19 6.423 -7.731 -10.571 523 H LEU 20 H LEU 20 3.862 -2.398 -2.716 524 HA LEU 20 HA LEU 20 1.283 -3.187 -1.806 525 1HB LEU 20 1HB LEU 20 3.561 -1.663 -0.585 526 2HB LEU 20 2HB LEU 20 2.026 -1.799 0.251 527 HG LEU 20 HG LEU 20 3.399 -3.504 1.134 528 1HD1 LEU 20 1HD1 LEU 20 1.066 -4.153 0.491 529 2HD1 LEU 20 2HD1 LEU 20 1.743 -4.890 -0.962 530 3HD1 LEU 20 3HD1 LEU 20 2.201 -5.496 0.630 531 1HD2 LEU 20 1HD2 LEU 20 4.111 -4.094 -1.727 532 2HD2 LEU 20 2HD2 LEU 20 5.181 -3.613 -0.411 533 3HD2 LEU 20 3HD2 LEU 20 4.445 -5.217 -0.408 534 H GLN 21 H GLN 21 2.676 -0.196 -2.949 535 HA GLN 21 HA GLN 21 0.552 1.482 -2.028 536 1HB GLN 21 1HB GLN 21 3.080 1.897 -3.088 537 2HB GLN 21 2HB GLN 21 2.009 2.465 -4.360 538 1HG GLN 21 1HG GLN 21 1.073 4.112 -3.004 539 2HG GLN 21 2HG GLN 21 1.654 3.351 -1.524 540 2HE2 GLN 21 2HE2 GLN 21 3.515 3.878 -4.451 541 1HE2 GLN 21 1HE2 GLN 21 4.633 5.003 -3.764 542 H LYS 22 H LYS 22 1.196 -0.370 -4.921 543 HA LYS 22 HA LYS 22 -0.878 0.819 -6.490 544 1HB LYS 22 1HB LYS 22 1.173 -1.174 -6.849 545 2HB LYS 22 2HB LYS 22 -0.361 -1.777 -7.461 546 1HG LYS 22 1HG LYS 22 0.181 -0.703 -9.336 547 2HG LYS 22 2HG LYS 22 -0.303 0.758 -8.473 548 1HD LYS 22 1HD LYS 22 2.463 -0.167 -8.015 549 2HD LYS 22 2HD LYS 22 2.105 0.439 -9.634 550 1HE LYS 22 1HE LYS 22 1.236 2.001 -7.242 551 2HE LYS 22 2HE LYS 22 2.918 2.073 -7.764 552 1HZ LYS 22 1HZ LYS 22 1.146 2.395 -9.963 553 2HZ LYS 22 2HZ LYS 22 0.820 3.540 -8.760 554 3HZ LYS 22 3HZ LYS 22 2.374 3.424 -9.418 555 H GLU 23 H GLU 23 -0.641 -1.854 -4.258 556 HA GLU 23 HA GLU 23 -3.126 -3.063 -4.946 557 1HB GLU 23 1HB GLU 23 -1.539 -3.267 -2.380 558 2HB GLU 23 2HB GLU 23 -2.851 -4.333 -2.863 559 1HG GLU 23 1HG GLU 23 -0.632 -4.082 -4.780 560 2HG GLU 23 2HG GLU 23 -0.250 -4.874 -3.251 561 H ILE 24 H ILE 24 -2.129 -0.818 -2.362 562 HA ILE 24 HA ILE 24 -4.708 -0.685 -1.185 563 HB ILE 24 HB ILE 24 -2.677 -0.025 0.036 564 1HG1 ILE 24 1HG1 ILE 24 -5.005 0.832 0.581 565 2HG1 ILE 24 2HG1 ILE 24 -3.659 1.734 1.262 566 1HG2 ILE 24 1HG2 ILE 24 -2.199 1.560 -2.236 567 2HG2 ILE 24 2HG2 ILE 24 -2.366 2.644 -0.854 568 3HG2 ILE 24 3HG2 ILE 24 -1.184 1.336 -0.812 569 1HD1 ILE 24 1HD1 ILE 24 -4.204 2.955 -1.179 570 2HD1 ILE 24 2HD1 ILE 24 -5.775 2.605 -0.458 571 3HD1 ILE 24 3HD1 ILE 24 -4.588 3.555 0.436 572 H GLU 25 H GLU 25 -3.166 0.986 -3.829 573 HA GLU 25 HA GLU 25 -4.951 3.168 -4.014 574 1HB GLU 25 1HB GLU 25 -2.715 2.981 -5.157 575 2HB GLU 25 2HB GLU 25 -3.455 1.857 -6.289 576 1HG GLU 25 1HG GLU 25 -4.675 3.485 -7.329 577 2HG GLU 25 2HG GLU 25 -4.719 4.519 -5.902 578 H ARG 26 H ARG 26 -4.924 -0.049 -5.503 579 HA ARG 26 HA ARG 26 -7.254 0.354 -7.075 580 1HB ARG 26 1HB ARG 26 -5.651 -1.399 -7.611 581 2HB ARG 26 2HB ARG 26 -5.970 -2.195 -6.076 582 1HG ARG 26 1HG ARG 26 -7.297 -3.461 -7.401 583 2HG ARG 26 2HG ARG 26 -8.450 -2.179 -7.027 584 1HD ARG 26 1HD ARG 26 -8.454 -1.397 -9.136 585 2HD ARG 26 2HD ARG 26 -6.719 -1.640 -9.334 586 HE ARG 26 HE ARG 26 -8.236 -4.082 -9.324 587 1HH1 ARG 26 1HH1 ARG 26 -7.051 -1.453 -11.276 588 2HH1 ARG 26 2HH1 ARG 26 -7.100 -2.355 -12.753 589 1HH2 ARG 26 1HH2 ARG 26 -8.305 -5.280 -11.263 590 2HH2 ARG 26 2HH2 ARG 26 -7.814 -4.532 -12.746 591 H HIS 27 H HIS 27 -6.690 -0.827 -3.806 592 HA HIS 27 HA HIS 27 -9.383 -1.695 -3.400 593 1HB HIS 27 1HB HIS 27 -6.903 -1.828 -1.987 594 2HB HIS 27 2HB HIS 27 -8.120 -1.148 -0.914 595 HD1 HIS 27 HD1 HIS 27 -10.327 -2.660 -0.596 596 HD2 HIS 27 HD2 HIS 27 -7.040 -4.532 -2.316 597 HE1 HIS 27 HE1 HIS 27 -10.781 -5.126 -0.403 598 HE2 HIS 27 HE2 HIS 27 -8.778 -6.241 -1.449 599 H LYS 28 H LYS 28 -7.745 1.323 -3.273 600 HA LYS 28 HA LYS 28 -9.580 2.596 -1.470 601 1HB LYS 28 1HB LYS 28 -7.196 3.316 -1.782 602 2HB LYS 28 2HB LYS 28 -7.635 3.890 -3.385 603 1HG LYS 28 1HG LYS 28 -9.503 5.092 -1.765 604 2HG LYS 28 2HG LYS 28 -8.036 5.123 -0.785 605 1HD LYS 28 1HD LYS 28 -7.948 5.956 -3.658 606 2HD LYS 28 2HD LYS 28 -8.522 7.080 -2.424 607 1HE LYS 28 1HE LYS 28 -6.447 6.993 -1.264 608 2HE LYS 28 2HE LYS 28 -5.886 5.639 -2.243 609 1HZ LYS 28 1HZ LYS 28 -6.573 7.832 -3.895 610 2HZ LYS 28 2HZ LYS 28 -5.468 8.328 -2.713 611 3HZ LYS 28 3HZ LYS 28 -5.087 7.039 -3.741 612 H GLN 29 H GLN 29 -9.215 2.218 -4.927 613 HA GLN 29 HA GLN 29 -11.177 4.158 -5.651 614 1HB GLN 29 1HB GLN 29 -9.503 3.501 -7.265 615 2HB GLN 29 2HB GLN 29 -10.007 1.819 -7.167 616 1HG GLN 29 1HG GLN 29 -12.317 3.170 -7.865 617 2HG GLN 29 2HG GLN 29 -11.049 3.980 -8.783 618 2HE2 GLN 29 2HE2 GLN 29 -9.797 2.758 -10.246 619 1HE2 GLN 29 1HE2 GLN 29 -10.383 1.269 -10.896 620 H SER 30 H SER 30 -11.210 0.666 -5.106 621 HA SER 30 HA SER 30 -13.913 0.284 -5.906 622 1HB SER 30 1HB SER 30 -13.705 -1.926 -4.902 623 2HB SER 30 2HB SER 30 -12.240 -1.549 -5.810 624 HG SER 30 HG SER 30 -12.176 -2.413 -3.478 625 H ILE 31 H ILE 31 -12.348 0.772 -2.763 626 HA ILE 31 HA ILE 31 -14.756 0.545 -1.248 627 HB ILE 31 HB ILE 31 -12.591 0.123 -0.219 628 1HG1 ILE 31 1HG1 ILE 31 -12.815 1.691 1.778 629 2HG1 ILE 31 2HG1 ILE 31 -14.139 2.461 0.906 630 1HG2 ILE 31 1HG2 ILE 31 -11.525 2.054 -1.610 631 2HG2 ILE 31 2HG2 ILE 31 -11.971 3.050 -0.232 632 3HG2 ILE 31 3HG2 ILE 31 -10.888 1.680 -0.013 633 1HD1 ILE 31 1HD1 ILE 31 -15.114 0.079 0.771 634 2HD1 ILE 31 2HD1 ILE 31 -13.978 -0.277 2.073 635 3HD1 ILE 31 3HD1 ILE 31 -15.211 0.965 2.293 636 H LYS 32 H LYS 32 -13.228 3.108 -2.995 637 HA LYS 32 HA LYS 32 -14.623 5.229 -1.629 638 1HB LYS 32 1HB LYS 32 -12.441 5.681 -2.598 639 2HB LYS 32 2HB LYS 32 -13.018 5.210 -4.190 640 1HG LYS 32 1HG LYS 32 -14.301 7.132 -4.433 641 2HG LYS 32 2HG LYS 32 -14.305 7.461 -2.700 642 1HD LYS 32 1HD LYS 32 -12.793 9.025 -3.482 643 2HD LYS 32 2HD LYS 32 -11.733 7.696 -3.010 644 1HE LYS 32 1HE LYS 32 -11.293 7.095 -5.194 645 2HE LYS 32 2HE LYS 32 -12.781 7.820 -5.802 646 1HZ LYS 32 1HZ LYS 32 -11.122 9.801 -4.650 647 2HZ LYS 32 2HZ LYS 32 -10.250 8.931 -5.809 648 3HZ LYS 32 3HZ LYS 32 -11.702 9.690 -6.235 649 H LYS 33 H LYS 33 -15.069 3.271 -4.489 650 HA LYS 33 HA LYS 33 -17.159 4.877 -5.604 651 1HB LYS 33 1HB LYS 33 -15.963 2.210 -6.188 652 2HB LYS 33 2HB LYS 33 -17.563 2.553 -6.831 653 1HG LYS 33 1HG LYS 33 -16.396 4.765 -7.648 654 2HG LYS 33 2HG LYS 33 -14.942 3.774 -7.509 655 1HD LYS 33 1HD LYS 33 -15.726 2.215 -9.087 656 2HD LYS 33 2HD LYS 33 -17.379 2.826 -8.989 657 1HE LYS 33 1HE LYS 33 -16.043 5.054 -9.771 658 2HE LYS 33 2HE LYS 33 -15.088 3.796 -10.556 659 1HZ LYS 33 1HZ LYS 33 -17.164 2.936 -11.524 660 2HZ LYS 33 2HZ LYS 33 -18.011 4.232 -10.844 661 3HZ LYS 33 3HZ LYS 33 -16.827 4.518 -12.020 662 H LEU 34 H LEU 34 -16.984 2.095 -3.468 663 HA LEU 34 HA LEU 34 -19.793 1.560 -3.496 664 1HB LEU 34 1HB LEU 34 -17.413 0.506 -2.159 665 2HB LEU 34 2HB LEU 34 -18.844 0.484 -1.148 666 HG LEU 34 HG LEU 34 -18.963 -0.641 -3.920 667 1HD1 LEU 34 1HD1 LEU 34 -17.833 -1.979 -1.475 668 2HD1 LEU 34 2HD1 LEU 34 -18.437 -2.864 -2.876 669 3HD1 LEU 34 3HD1 LEU 34 -17.067 -1.768 -3.048 670 1HD2 LEU 34 1HD2 LEU 34 -20.749 -0.371 -1.757 671 2HD2 LEU 34 2HD2 LEU 34 -21.010 -1.211 -3.286 672 3HD2 LEU 34 3HD2 LEU 34 -20.367 -2.087 -1.896 673 H LYS 35 H LYS 35 -17.609 3.401 -1.428 674 HA LYS 35 HA LYS 35 -19.589 4.001 0.546 675 1HB LYS 35 1HB LYS 35 -17.125 4.008 0.971 676 2HB LYS 35 2HB LYS 35 -17.001 5.459 -0.014 677 1HG LYS 35 1HG LYS 35 -18.954 6.133 1.783 678 2HG LYS 35 2HG LYS 35 -17.863 5.137 2.750 679 1HD LYS 35 1HD LYS 35 -17.006 7.482 1.056 680 2HD LYS 35 2HD LYS 35 -17.293 7.551 2.796 681 1HE LYS 35 1HE LYS 35 -15.372 5.574 1.620 682 2HE LYS 35 2HE LYS 35 -14.878 7.233 1.949 683 1HZ LYS 35 1HZ LYS 35 -16.215 5.723 4.077 684 2HZ LYS 35 2HZ LYS 35 -14.596 5.369 3.736 685 3HZ LYS 35 3HZ LYS 35 -15.042 6.936 4.192 686 H GLN 36 H GLN 36 -18.519 5.469 -2.432 687 HA GLN 36 HA GLN 36 -19.788 7.994 -1.985 688 1HB GLN 36 1HB GLN 36 -17.898 7.803 -3.516 689 2HB GLN 36 2HB GLN 36 -18.810 6.697 -4.534 690 1HG GLN 36 1HG GLN 36 -20.502 8.678 -4.672 691 2HG GLN 36 2HG GLN 36 -19.104 9.641 -4.192 692 2HE2 GLN 36 2HE2 GLN 36 -18.908 10.718 -6.114 693 1HE2 GLN 36 1HE2 GLN 36 -18.418 9.954 -7.584 694 H SER 37 H SER 37 -20.719 4.936 -3.395 695 HA SER 37 HA SER 37 -23.063 5.861 -4.708 696 1HB SER 37 1HB SER 37 -21.657 3.481 -4.640 697 2HB SER 37 2HB SER 37 -23.159 3.080 -3.808 698 HG SER 37 HG SER 37 -23.589 2.772 -5.928 699 H GLU 38 H GLU 38 -22.319 4.950 -1.443 700 HA GLU 38 HA GLU 38 -24.963 4.441 -0.558 701 1HB GLU 38 1HB GLU 38 -23.091 3.649 0.738 702 2HB GLU 38 2HB GLU 38 -22.480 5.284 0.940 703 1HG GLU 38 1HG GLU 38 -24.671 5.776 2.140 704 2HG GLU 38 2HG GLU 38 -24.896 4.027 2.188 705 H ASP 39 H ASP 39 -23.086 7.345 -0.998 706 HA ASP 39 HA ASP 39 -24.920 9.008 0.491 707 1HB ASP 39 1HB ASP 39 -22.310 9.325 -0.790 708 2HB ASP 39 2HB ASP 39 -23.367 10.713 -1.036 709 H ASP 40 H ASP 40 -24.510 7.938 -2.775 710 HA ASP 40 HA ASP 40 -25.837 8.162 -4.614 711 1HB ASP 40 1HB ASP 40 -27.583 8.676 -2.447 712 2HB ASP 40 2HB ASP 40 -27.913 9.904 -3.666 713 H ASP 41 H ASP 41 -25.696 9.499 -6.330 714 HA ASP 41 HA ASP 41 -25.459 12.379 -5.888 715 1HB ASP 41 1HB ASP 41 -23.402 10.691 -7.324 716 2HB ASP 41 2HB ASP 41 -23.475 12.448 -7.429 No H/Q in entry = 716 Start of MODEL 35 1 H1 ALA 1 H1 ALA 1 -27.177 7.748 7.781 2 H2 ALA 1 H2 ALA 1 -25.486 8.042 7.817 3 H3 ALA 1 H3 ALA 1 -26.536 8.955 8.818 4 HA ALA 1 HA ALA 1 -27.349 10.176 7.127 5 1HB ALA 1 1HB ALA 1 -24.486 9.725 7.145 6 2HB ALA 1 2HB ALA 1 -25.058 10.300 5.579 7 3HB ALA 1 3HB ALA 1 -25.392 11.234 7.038 8 H LEU 2 H LEU 2 -26.209 7.075 6.100 9 HA LEU 2 HA LEU 2 -27.940 7.217 3.766 10 1HB LEU 2 1HB LEU 2 -25.179 6.140 3.357 11 2HB LEU 2 2HB LEU 2 -26.339 6.693 2.164 12 HG LEU 2 HG LEU 2 -25.938 9.031 3.309 13 1HD1 LEU 2 1HD1 LEU 2 -23.432 7.498 3.982 14 2HD1 LEU 2 2HD1 LEU 2 -23.573 9.256 4.012 15 3HD1 LEU 2 3HD1 LEU 2 -24.541 8.274 5.113 16 1HD2 LEU 2 1HD2 LEU 2 -24.330 7.580 1.260 17 2HD2 LEU 2 2HD2 LEU 2 -25.437 8.941 1.069 18 3HD2 LEU 2 3HD2 LEU 2 -23.833 9.198 1.756 19 H LYS 3 H LYS 3 -27.230 4.842 2.560 20 HA LYS 3 HA LYS 3 -28.620 2.938 3.980 21 1HB LYS 3 1HB LYS 3 -26.445 2.533 1.922 22 2HB LYS 3 2HB LYS 3 -27.522 1.263 2.486 23 1HG LYS 3 1HG LYS 3 -29.338 2.121 1.384 24 2HG LYS 3 2HG LYS 3 -28.701 3.767 1.390 25 1HD LYS 3 1HD LYS 3 -27.405 1.565 -0.193 26 2HD LYS 3 2HD LYS 3 -28.738 2.523 -0.844 27 1HE LYS 3 1HE LYS 3 -26.094 3.587 0.146 28 2HE LYS 3 2HE LYS 3 -26.585 3.431 -1.540 29 1HZ LYS 3 1HZ LYS 3 -28.590 4.886 -0.588 30 2HZ LYS 3 2HZ LYS 3 -27.354 5.414 0.439 31 3HZ LYS 3 3HZ LYS 3 -27.183 5.565 -1.238 32 H LYS 4 H LYS 4 -28.122 1.293 5.381 33 HA LYS 4 HA LYS 4 -25.607 1.596 6.822 34 1HB LYS 4 1HB LYS 4 -28.105 0.010 7.436 35 2HB LYS 4 2HB LYS 4 -26.677 0.030 8.461 36 1HG LYS 4 1HG LYS 4 -28.150 2.537 7.714 37 2HG LYS 4 2HG LYS 4 -28.586 1.559 9.117 38 1HD LYS 4 1HD LYS 4 -27.059 2.708 10.264 39 2HD LYS 4 2HD LYS 4 -25.829 1.873 9.312 40 1HE LYS 4 1HE LYS 4 -25.239 4.034 8.879 41 2HE LYS 4 2HE LYS 4 -26.393 3.778 7.570 42 1HZ LYS 4 1HZ LYS 4 -28.021 4.633 9.479 43 2HZ LYS 4 2HZ LYS 4 -26.612 5.452 9.937 44 3HZ LYS 4 3HZ LYS 4 -27.256 5.675 8.389 45 H HIS 5 H HIS 5 -27.172 -0.572 4.631 46 HA HIS 5 HA HIS 5 -25.484 -2.827 5.216 47 1HB HIS 5 1HB HIS 5 -26.491 -3.686 3.016 48 2HB HIS 5 2HB HIS 5 -27.596 -3.419 4.361 49 HD1 HIS 5 HD1 HIS 5 -29.633 -2.154 3.772 50 HD2 HIS 5 HD2 HIS 5 -26.490 -1.300 1.193 51 HE1 HIS 5 HE1 HIS 5 -30.586 -0.595 2.044 52 HE2 HIS 5 HE2 HIS 5 -28.667 -0.091 0.492 53 H HIS 6 H HIS 6 -25.594 -0.256 2.811 54 HA HIS 6 HA HIS 6 -23.444 -1.275 1.237 55 1HB HIS 6 1HB HIS 6 -25.138 1.133 1.266 56 2HB HIS 6 2HB HIS 6 -23.506 1.397 0.659 57 HD1 HIS 6 HD1 HIS 6 -25.037 -1.916 0.002 58 HD2 HIS 6 HD2 HIS 6 -24.604 1.734 -1.938 59 HE1 HIS 6 HE1 HIS 6 -25.639 -2.356 -2.399 60 HE2 HIS 6 HE2 HIS 6 -25.372 -0.133 -3.556 61 H GLU 7 H GLU 7 -23.705 0.981 3.925 62 HA GLU 7 HA GLU 7 -21.026 1.923 3.776 63 1HB GLU 7 1HB GLU 7 -21.427 2.950 5.894 64 2HB GLU 7 2HB GLU 7 -22.916 3.078 4.968 65 1HG GLU 7 1HG GLU 7 -23.820 1.152 6.188 66 2HG GLU 7 2HG GLU 7 -22.339 1.076 7.140 67 H ASN 8 H ASN 8 -22.605 -0.755 5.401 68 HA ASN 8 HA ASN 8 -20.468 -1.497 7.086 69 1HB ASN 8 1HB ASN 8 -22.832 -2.310 7.292 70 2HB ASN 8 2HB ASN 8 -22.555 -3.325 5.881 71 2HD2 ASN 8 2HD2 ASN 8 -23.077 -5.106 7.256 72 1HD2 ASN 8 1HD2 ASN 8 -21.881 -5.765 8.314 73 H GLU 9 H GLU 9 -21.402 -2.524 3.820 74 HA GLU 9 HA GLU 9 -19.394 -4.448 3.461 75 1HB GLU 9 1HB GLU 9 -21.339 -4.213 1.960 76 2HB GLU 9 2HB GLU 9 -20.698 -2.683 1.377 77 1HG GLU 9 1HG GLU 9 -19.582 -3.770 -0.186 78 2HG GLU 9 2HG GLU 9 -18.652 -4.592 1.066 79 H ILE 10 H ILE 10 -19.447 -0.997 2.547 80 HA ILE 10 HA ILE 10 -16.748 -1.039 1.645 81 HB ILE 10 HB ILE 10 -16.874 1.378 1.547 82 1HG1 ILE 10 1HG1 ILE 10 -19.478 1.026 3.037 83 2HG1 ILE 10 2HG1 ILE 10 -18.053 1.907 3.580 84 1HG2 ILE 10 1HG2 ILE 10 -18.081 -0.218 -0.088 85 2HG2 ILE 10 2HG2 ILE 10 -19.555 0.434 0.629 86 3HG2 ILE 10 3HG2 ILE 10 -18.413 1.512 -0.172 87 1HD1 ILE 10 1HD1 ILE 10 -18.928 2.942 1.058 88 2HD1 ILE 10 2HD1 ILE 10 -20.272 2.912 2.202 89 3HD1 ILE 10 3HD1 ILE 10 -18.782 3.759 2.616 90 H SER 11 H SER 11 -18.094 -1.130 4.741 91 HA SER 11 HA SER 11 -16.071 0.367 6.101 92 1HB SER 11 1HB SER 11 -18.463 -1.090 6.820 93 2HB SER 11 2HB SER 11 -17.129 -1.567 7.870 94 HG SER 11 HG SER 11 -17.165 0.338 8.770 95 H HIS 12 H HIS 12 -16.622 -2.988 5.194 96 HA HIS 12 HA HIS 12 -14.283 -3.972 6.521 97 1HB HIS 12 1HB HIS 12 -15.568 -5.805 6.251 98 2HB HIS 12 2HB HIS 12 -16.502 -5.058 4.967 99 HD1 HIS 12 HD1 HIS 12 -13.518 -7.259 5.551 100 HD2 HIS 12 HD2 HIS 12 -15.779 -5.787 2.393 101 HE1 HIS 12 HE1 HIS 12 -12.784 -8.570 3.533 102 HE2 HIS 12 HE2 HIS 12 -14.168 -7.665 1.631 103 H HIS 13 H HIS 13 -15.081 -2.963 3.209 104 HA HIS 13 HA HIS 13 -12.641 -3.707 2.016 105 1HB HIS 13 1HB HIS 13 -14.415 -1.382 1.262 106 2HB HIS 13 2HB HIS 13 -13.199 -2.133 0.241 107 HD1 HIS 13 HD1 HIS 13 -14.187 -5.112 1.095 108 HD2 HIS 13 HD2 HIS 13 -16.433 -2.005 -0.489 109 HE1 HIS 13 HE1 HIS 13 -16.171 -6.213 0.003 110 HE2 HIS 13 HE2 HIS 13 -17.524 -4.311 -0.951 111 H ALA 14 H ALA 14 -13.608 -0.911 3.892 112 HA ALA 14 HA ALA 14 -11.416 0.754 3.249 113 1HB ALA 14 1HB ALA 14 -13.265 0.670 5.625 114 2HB ALA 14 2HB ALA 14 -12.002 1.885 5.438 115 3HB ALA 14 3HB ALA 14 -13.304 1.777 4.252 116 H LYS 15 H LYS 15 -12.017 -1.332 6.081 117 HA LYS 15 HA LYS 15 -9.495 -0.989 7.256 118 1HB LYS 15 1HB LYS 15 -11.761 -2.825 7.556 119 2HB LYS 15 2HB LYS 15 -10.212 -3.556 7.955 120 1HG LYS 15 1HG LYS 15 -9.944 -1.278 9.308 121 2HG LYS 15 2HG LYS 15 -11.705 -1.401 9.320 122 1HD LYS 15 1HD LYS 15 -9.954 -3.715 10.096 123 2HD LYS 15 2HD LYS 15 -10.418 -2.473 11.260 124 1HE LYS 15 1HE LYS 15 -12.762 -3.247 9.890 125 2HE LYS 15 2HE LYS 15 -11.913 -4.726 10.336 126 1HZ LYS 15 1HZ LYS 15 -11.913 -2.866 12.483 127 2HZ LYS 15 2HZ LYS 15 -13.495 -3.170 11.965 128 3HZ LYS 15 3HZ LYS 15 -12.500 -4.453 12.443 129 H GLU 16 H GLU 16 -10.483 -2.772 4.483 130 HA GLU 16 HA GLU 16 -8.302 -4.629 4.472 131 1HB GLU 16 1HB GLU 16 -10.716 -4.393 3.116 132 2HB GLU 16 2HB GLU 16 -9.504 -4.115 1.874 133 1HG GLU 16 1HG GLU 16 -9.151 -6.287 1.722 134 2HG GLU 16 2HG GLU 16 -8.664 -6.335 3.416 135 H ILE 17 H ILE 17 -9.003 -1.553 2.815 136 HA ILE 17 HA ILE 17 -6.612 -1.603 1.260 137 HB ILE 17 HB ILE 17 -7.218 0.494 0.449 138 1HG1 ILE 17 1HG1 ILE 17 -9.166 1.727 1.877 139 2HG1 ILE 17 2HG1 ILE 17 -8.281 0.948 3.185 140 1HG2 ILE 17 1HG2 ILE 17 -9.160 -1.469 0.695 141 2HG2 ILE 17 2HG2 ILE 17 -9.994 0.038 1.070 142 3HG2 ILE 17 3HG2 ILE 17 -9.131 -0.137 -0.455 143 1HD1 ILE 17 1HD1 ILE 17 -6.911 2.634 1.119 144 2HD1 ILE 17 2HD1 ILE 17 -7.621 3.319 2.581 145 3HD1 ILE 17 3HD1 ILE 17 -6.320 2.134 2.704 146 H GLU 18 H GLU 18 -7.405 -0.547 4.469 147 HA GLU 18 HA GLU 18 -5.078 1.088 4.831 148 1HB GLU 18 1HB GLU 18 -7.014 1.545 6.186 149 2HB GLU 18 2HB GLU 18 -7.048 -0.107 6.784 150 1HG GLU 18 1HG GLU 18 -4.629 1.558 7.272 151 2HG GLU 18 2HG GLU 18 -6.077 1.830 8.241 152 H ARG 19 H ARG 19 -5.983 -2.242 5.545 153 HA ARG 19 HA ARG 19 -3.682 -2.910 7.045 154 1HB ARG 19 1HB ARG 19 -5.683 -4.291 7.124 155 2HB ARG 19 2HB ARG 19 -5.536 -4.654 5.410 156 1HG ARG 19 1HG ARG 19 -3.298 -5.701 5.965 157 2HG ARG 19 2HG ARG 19 -3.773 -5.573 7.659 158 1HD ARG 19 1HD ARG 19 -5.936 -6.775 6.874 159 2HD ARG 19 2HD ARG 19 -4.966 -7.237 5.476 160 HE ARG 19 HE ARG 19 -4.730 -8.240 8.165 161 1HH1 ARG 19 1HH1 ARG 19 -3.125 -7.786 5.109 162 2HH1 ARG 19 2HH1 ARG 19 -1.988 -9.066 5.369 163 1HH2 ARG 19 1HH2 ARG 19 -3.237 -9.928 8.518 164 2HH2 ARG 19 2HH2 ARG 19 -2.052 -10.285 7.307 165 H LEU 20 H LEU 20 -4.484 -3.240 3.598 166 HA LEU 20 HA LEU 20 -2.102 -4.513 2.822 167 1HB LEU 20 1HB LEU 20 -4.428 -3.661 1.570 168 2HB LEU 20 2HB LEU 20 -3.179 -2.680 0.829 169 HG LEU 20 HG LEU 20 -3.378 -4.553 -0.566 170 1HD1 LEU 20 1HD1 LEU 20 -1.017 -4.047 0.749 171 2HD1 LEU 20 2HD1 LEU 20 -1.193 -5.795 0.897 172 3HD1 LEU 20 3HD1 LEU 20 -1.206 -5.039 -0.696 173 1HD2 LEU 20 1HD2 LEU 20 -3.678 -6.061 1.988 174 2HD2 LEU 20 2HD2 LEU 20 -4.660 -6.117 0.524 175 3HD2 LEU 20 3HD2 LEU 20 -3.079 -6.898 0.556 176 H GLN 21 H GLN 21 -3.015 -1.103 3.028 177 HA GLN 21 HA GLN 21 -0.669 -0.004 1.956 178 1HB GLN 21 1HB GLN 21 -2.799 1.011 3.803 179 2HB GLN 21 2HB GLN 21 -1.360 1.981 3.520 180 1HG GLN 21 1HG GLN 21 -1.831 1.886 1.093 181 2HG GLN 21 2HG GLN 21 -3.332 1.035 1.455 182 2HE2 GLN 21 2HE2 GLN 21 -4.161 2.409 3.695 183 1HE2 GLN 21 1HE2 GLN 21 -4.555 4.033 3.256 184 H LYS 22 H LYS 22 -1.434 -1.228 5.136 185 HA LYS 22 HA LYS 22 0.724 -0.089 6.546 186 1HB LYS 22 1HB LYS 22 -1.138 -1.053 7.744 187 2HB LYS 22 2HB LYS 22 -0.839 -2.630 7.026 188 1HG LYS 22 1HG LYS 22 0.000 -2.767 9.209 189 2HG LYS 22 2HG LYS 22 1.418 -2.568 8.178 190 1HD LYS 22 1HD LYS 22 0.228 -0.062 9.148 191 2HD LYS 22 2HD LYS 22 0.910 -1.097 10.404 192 1HE LYS 22 1HE LYS 22 2.384 -0.280 7.906 193 2HE LYS 22 2HE LYS 22 2.506 0.573 9.444 194 1HZ LYS 22 1HZ LYS 22 3.178 -2.292 9.048 195 2HZ LYS 22 2HZ LYS 22 4.309 -1.035 9.089 196 3HZ LYS 22 3HZ LYS 22 3.393 -1.395 10.465 197 H GLU 23 H GLU 23 0.352 -3.188 4.864 198 HA GLU 23 HA GLU 23 2.867 -4.255 5.492 199 1HB GLU 23 1HB GLU 23 0.660 -5.045 3.985 200 2HB GLU 23 2HB GLU 23 1.975 -4.974 2.821 201 1HG GLU 23 1HG GLU 23 2.384 -7.062 3.497 202 2HG GLU 23 2HG GLU 23 3.175 -6.279 4.865 203 H ILE 24 H ILE 24 1.825 -2.333 2.686 204 HA ILE 24 HA ILE 24 4.291 -2.342 1.353 205 HB ILE 24 HB ILE 24 3.428 -0.857 -0.139 206 1HG1 ILE 24 1HG1 ILE 24 1.722 0.976 0.598 207 2HG1 ILE 24 2HG1 ILE 24 2.335 0.651 2.217 208 1HG2 ILE 24 1HG2 ILE 24 1.700 -2.618 0.362 209 2HG2 ILE 24 2HG2 ILE 24 0.824 -1.376 1.252 210 3HG2 ILE 24 3HG2 ILE 24 1.124 -1.176 -0.473 211 1HD1 ILE 24 1HD1 ILE 24 4.472 1.002 0.292 212 2HD1 ILE 24 2HD1 ILE 24 3.401 2.405 0.380 213 3HD1 ILE 24 3HD1 ILE 24 4.192 1.806 1.838 214 H GLU 25 H GLU 25 3.055 -0.360 3.957 215 HA GLU 25 HA GLU 25 5.047 1.617 3.993 216 1HB GLU 25 1HB GLU 25 3.064 0.562 5.948 217 2HB GLU 25 2HB GLU 25 4.389 1.529 6.580 218 1HG GLU 25 1HG GLU 25 3.683 3.184 4.680 219 2HG GLU 25 2HG GLU 25 2.151 2.318 4.787 220 H ARG 26 H ARG 26 4.854 -1.575 5.491 221 HA ARG 26 HA ARG 26 7.125 -1.445 7.105 222 1HB ARG 26 1HB ARG 26 5.565 -3.303 7.255 223 2HB ARG 26 2HB ARG 26 5.952 -3.802 5.614 224 1HG ARG 26 1HG ARG 26 8.273 -3.638 7.383 225 2HG ARG 26 2HG ARG 26 7.065 -4.826 7.878 226 1HD ARG 26 1HD ARG 26 7.775 -4.773 5.009 227 2HD ARG 26 2HD ARG 26 9.018 -5.354 6.116 228 HE ARG 26 HE ARG 26 6.550 -6.671 5.424 229 1HH1 ARG 26 1HH1 ARG 26 9.120 -6.404 7.759 230 2HH1 ARG 26 2HH1 ARG 26 8.879 -7.995 8.400 231 1HH2 ARG 26 1HH2 ARG 26 6.224 -8.768 6.260 232 2HH2 ARG 26 2HH2 ARG 26 7.232 -9.340 7.548 233 H HIS 27 H HIS 27 6.771 -2.435 3.707 234 HA HIS 27 HA HIS 27 9.528 -2.962 3.304 235 1HB HIS 27 1HB HIS 27 7.147 -3.135 1.781 236 2HB HIS 27 2HB HIS 27 8.245 -2.095 0.880 237 HD1 HIS 27 HD1 HIS 27 10.488 -3.167 0.066 238 HD2 HIS 27 HD2 HIS 27 7.840 -5.821 1.860 239 HE1 HIS 27 HE1 HIS 27 11.336 -5.462 -0.518 240 HE2 HIS 27 HE2 HIS 27 9.718 -7.053 0.578 241 H LYS 28 H LYS 28 7.586 -0.099 3.358 242 HA LYS 28 HA LYS 28 9.361 1.583 1.916 243 1HB LYS 28 1HB LYS 28 6.818 1.874 2.561 244 2HB LYS 28 2HB LYS 28 7.496 2.673 3.974 245 1HG LYS 28 1HG LYS 28 8.891 3.836 1.933 246 2HG LYS 28 2HG LYS 28 7.300 3.589 1.212 247 1HD LYS 28 1HD LYS 28 7.821 4.959 3.851 248 2HD LYS 28 2HD LYS 28 7.507 5.782 2.322 249 1HE LYS 28 1HE LYS 28 5.298 4.924 2.214 250 2HE LYS 28 2HE LYS 28 5.601 3.793 3.531 251 1HZ LYS 28 1HZ LYS 28 5.687 6.739 3.865 252 2HZ LYS 28 2HZ LYS 28 4.300 5.813 4.146 253 3HZ LYS 28 3HZ LYS 28 5.688 5.564 5.081 254 H GLN 29 H GLN 29 9.160 0.493 5.193 255 HA GLN 29 HA GLN 29 10.816 2.544 6.310 256 1HB GLN 29 1HB GLN 29 9.116 0.934 7.484 257 2HB GLN 29 2HB GLN 29 10.488 -0.164 7.554 258 1HG GLN 29 1HG GLN 29 11.594 1.085 9.090 259 2HG GLN 29 2HG GLN 29 10.921 2.605 8.501 260 2HE2 GLN 29 2HE2 GLN 29 9.425 -0.397 9.649 261 1HE2 GLN 29 1HE2 GLN 29 8.480 0.344 10.890 262 H SER 30 H SER 30 11.315 -0.797 5.236 263 HA SER 30 HA SER 30 14.053 -0.926 5.946 264 1HB SER 30 1HB SER 30 13.913 -2.733 3.954 265 2HB SER 30 2HB SER 30 13.298 -3.048 5.577 266 HG SER 30 HG SER 30 11.672 -3.555 4.172 267 H ILE 31 H ILE 31 12.405 -0.034 2.942 268 HA ILE 31 HA ILE 31 14.797 0.303 1.427 269 HB ILE 31 HB ILE 31 12.753 -0.140 0.260 270 1HG1 ILE 31 1HG1 ILE 31 12.573 1.927 -1.236 271 2HG1 ILE 31 2HG1 ILE 31 13.808 2.649 -0.206 272 1HG2 ILE 31 1HG2 ILE 31 11.596 1.524 2.156 273 2HG2 ILE 31 2HG2 ILE 31 11.401 2.390 0.635 274 3HG2 ILE 31 3HG2 ILE 31 10.786 0.748 0.796 275 1HD1 ILE 31 1HD1 ILE 31 15.147 0.513 -0.730 276 2HD1 ILE 31 2HD1 ILE 31 14.005 0.331 -2.061 277 3HD1 ILE 31 3HD1 ILE 31 15.016 1.774 -1.958 278 H LYS 32 H LYS 32 12.858 2.385 3.465 279 HA LYS 32 HA LYS 32 14.125 4.814 2.618 280 1HB LYS 32 1HB LYS 32 12.239 4.073 4.831 281 2HB LYS 32 2HB LYS 32 13.018 5.649 4.822 282 1HG LYS 32 1HG LYS 32 11.458 4.616 2.476 283 2HG LYS 32 2HG LYS 32 10.709 5.509 3.800 284 1HD LYS 32 1HD LYS 32 12.086 7.427 3.361 285 2HD LYS 32 2HD LYS 32 13.029 6.533 2.168 286 1HE LYS 32 1HE LYS 32 11.440 7.991 1.059 287 2HE LYS 32 2HE LYS 32 11.021 6.302 0.774 288 1HZ LYS 32 1HZ LYS 32 9.416 6.540 2.664 289 2HZ LYS 32 2HZ LYS 32 9.704 8.206 2.626 290 3HZ LYS 32 3HZ LYS 32 9.029 7.433 1.280 291 H LYS 33 H LYS 33 14.895 2.305 4.841 292 HA LYS 33 HA LYS 33 16.622 3.941 6.477 293 1HB LYS 33 1HB LYS 33 15.334 1.519 6.842 294 2HB LYS 33 2HB LYS 33 17.023 1.058 6.672 295 1HG LYS 33 1HG LYS 33 17.664 2.420 8.510 296 2HG LYS 33 2HG LYS 33 16.071 3.175 8.583 297 1HD LYS 33 1HD LYS 33 15.122 1.388 9.627 298 2HD LYS 33 2HD LYS 33 16.182 0.224 8.831 299 1HE LYS 33 1HE LYS 33 17.871 0.504 10.370 300 2HE LYS 33 2HE LYS 33 17.342 2.127 10.811 301 1HZ LYS 33 1HZ LYS 33 15.261 0.514 11.537 302 2HZ LYS 33 2HZ LYS 33 16.627 -0.388 11.962 303 3HZ LYS 33 3HZ LYS 33 16.419 1.175 12.578 304 H LEU 34 H LEU 34 16.990 1.603 3.844 305 HA LEU 34 HA LEU 34 19.876 1.752 3.995 306 1HB LEU 34 1HB LEU 34 18.727 -0.345 3.384 307 2HB LEU 34 2HB LEU 34 18.103 0.431 1.942 308 HG LEU 34 HG LEU 34 20.402 0.711 1.101 309 1HD1 LEU 34 1HD1 LEU 34 21.125 -0.713 3.652 310 2HD1 LEU 34 2HD1 LEU 34 22.208 -0.575 2.267 311 3HD1 LEU 34 3HD1 LEU 34 21.663 0.876 3.108 312 1HD2 LEU 34 1HD2 LEU 34 18.894 -1.605 1.202 313 2HD2 LEU 34 2HD2 LEU 34 20.262 -1.290 0.133 314 3HD2 LEU 34 3HD2 LEU 34 20.513 -2.132 1.663 315 H LYS 35 H LYS 35 17.306 3.361 2.369 316 HA LYS 35 HA LYS 35 19.039 4.447 0.304 317 1HB LYS 35 1HB LYS 35 16.764 3.885 -0.335 318 2HB LYS 35 2HB LYS 35 16.120 4.918 0.935 319 1HG LYS 35 1HG LYS 35 17.382 6.812 -0.278 320 2HG LYS 35 2HG LYS 35 17.426 5.689 -1.639 321 1HD LYS 35 1HD LYS 35 14.974 6.722 -0.219 322 2HD LYS 35 2HD LYS 35 15.500 7.126 -1.854 323 1HE LYS 35 1HE LYS 35 15.061 4.930 -2.633 324 2HE LYS 35 2HE LYS 35 14.855 4.317 -0.994 325 1HZ LYS 35 1HZ LYS 35 13.070 6.352 -2.205 326 2HZ LYS 35 2HZ LYS 35 12.753 4.691 -2.256 327 3HZ LYS 35 3HZ LYS 35 12.827 5.494 -0.768 328 H GLN 36 H GLN 36 17.707 5.299 3.394 329 HA GLN 36 HA GLN 36 18.326 8.113 3.127 330 1HB GLN 36 1HB GLN 36 16.420 7.522 4.480 331 2HB GLN 36 2HB GLN 36 17.396 6.446 5.470 332 1HG GLN 36 1HG GLN 36 18.230 8.125 6.717 333 2HG GLN 36 2HG GLN 36 18.280 9.253 5.363 334 2HE2 GLN 36 2HE2 GLN 36 17.469 10.251 7.674 335 1HE2 GLN 36 1HE2 GLN 36 15.761 10.514 7.693 336 H SER 37 H SER 37 19.767 5.228 4.477 337 HA SER 37 HA SER 37 21.805 6.607 5.947 338 1HB SER 37 1HB SER 37 22.839 4.297 6.077 339 2HB SER 37 2HB SER 37 21.203 4.426 6.723 340 HG SER 37 HG SER 37 21.768 3.592 4.075 341 H GLU 38 H GLU 38 21.401 5.500 2.691 342 HA GLU 38 HA GLU 38 24.177 5.469 2.001 343 1HB GLU 38 1HB GLU 38 22.262 4.262 0.805 344 2HB GLU 38 2HB GLU 38 21.888 5.816 0.073 345 1HG GLU 38 1HG GLU 38 24.569 5.585 -0.401 346 2HG GLU 38 2HG GLU 38 24.013 3.917 -0.534 347 H ASP 39 H ASP 39 21.664 7.879 2.084 348 HA ASP 39 HA ASP 39 23.643 9.928 1.456 349 1HB ASP 39 1HB ASP 39 22.168 9.153 -0.602 350 2HB ASP 39 2HB ASP 39 20.973 10.208 0.147 351 H ASP 40 H ASP 40 22.647 9.317 3.942 352 HA ASP 40 HA ASP 40 20.358 10.565 4.824 353 1HB ASP 40 1HB ASP 40 22.268 9.202 6.076 354 2HB ASP 40 2HB ASP 40 22.803 10.822 6.512 355 H ASP 41 H ASP 41 19.804 12.611 5.509 356 HA ASP 41 HA ASP 41 21.506 14.762 4.481 357 1HB ASP 41 1HB ASP 41 18.646 14.317 4.634 358 2HB ASP 41 2HB ASP 41 19.085 15.869 5.342 359 H1 ALA 1 H1 ALA 1 27.176 7.748 -7.793 360 H2 ALA 1 H2 ALA 1 25.486 8.042 -7.827 361 H3 ALA 1 H3 ALA 1 26.533 8.956 -8.829 362 HA ALA 1 HA ALA 1 27.348 10.177 -7.138 363 1HB ALA 1 1HB ALA 1 25.059 10.301 -5.589 364 2HB ALA 1 2HB ALA 1 25.391 11.234 -7.049 365 3HB ALA 1 3HB ALA 1 24.485 9.725 -7.155 366 H LEU 2 H LEU 2 26.206 7.076 -6.110 367 HA LEU 2 HA LEU 2 27.941 7.218 -3.777 368 1HB LEU 2 1HB LEU 2 25.179 6.141 -3.368 369 2HB LEU 2 2HB LEU 2 26.339 6.694 -2.175 370 HG LEU 2 HG LEU 2 25.938 9.032 -3.320 371 1HD1 LEU 2 1HD1 LEU 2 23.432 7.499 -3.991 372 2HD1 LEU 2 2HD1 LEU 2 23.574 9.256 -4.022 373 3HD1 LEU 2 3HD1 LEU 2 24.541 8.274 -5.123 374 1HD2 LEU 2 1HD2 LEU 2 24.334 7.583 -1.268 375 2HD2 LEU 2 2HD2 LEU 2 25.439 8.945 -1.082 376 3HD2 LEU 2 3HD2 LEU 2 23.833 9.198 -1.767 377 H LYS 3 H LYS 3 27.232 4.843 -2.572 378 HA LYS 3 HA LYS 3 28.621 2.939 -3.992 379 1HB LYS 3 1HB LYS 3 26.446 2.534 -1.933 380 2HB LYS 3 2HB LYS 3 27.525 1.263 -2.497 381 1HG LYS 3 1HG LYS 3 29.340 2.123 -1.395 382 2HG LYS 3 2HG LYS 3 28.702 3.769 -1.401 383 1HD LYS 3 1HD LYS 3 27.406 1.568 0.182 384 2HD LYS 3 2HD LYS 3 28.739 2.525 0.833 385 1HE LYS 3 1HE LYS 3 26.095 3.590 -0.155 386 2HE LYS 3 2HE LYS 3 26.588 3.435 1.530 387 1HZ LYS 3 1HZ LYS 3 28.591 4.888 0.573 388 2HZ LYS 3 2HZ LYS 3 27.353 5.417 -0.452 389 3HZ LYS 3 3HZ LYS 3 27.188 5.569 1.226 390 H LYS 4 H LYS 4 28.120 1.293 -5.391 391 HA LYS 4 HA LYS 4 25.605 1.597 -6.831 392 1HB LYS 4 1HB LYS 4 28.102 0.010 -7.447 393 2HB LYS 4 2HB LYS 4 26.673 0.032 -8.471 394 1HG LYS 4 1HG LYS 4 28.147 2.537 -7.724 395 2HG LYS 4 2HG LYS 4 28.582 1.559 -9.127 396 1HD LYS 4 1HD LYS 4 27.055 2.709 -10.274 397 2HD LYS 4 2HD LYS 4 25.826 1.875 -9.322 398 1HE LYS 4 1HE LYS 4 25.237 4.035 -8.888 399 2HE LYS 4 2HE LYS 4 26.392 3.780 -7.580 400 1HZ LYS 4 1HZ LYS 4 28.019 4.634 -9.493 401 2HZ LYS 4 2HZ LYS 4 26.609 5.452 -9.948 402 3HZ LYS 4 3HZ LYS 4 27.255 5.676 -8.401 403 H HIS 5 H HIS 5 27.171 -0.572 -4.641 404 HA HIS 5 HA HIS 5 25.481 -2.827 -5.226 405 1HB HIS 5 1HB HIS 5 26.491 -3.685 -3.026 406 2HB HIS 5 2HB HIS 5 27.594 -3.418 -4.371 407 HD1 HIS 5 HD1 HIS 5 29.633 -2.155 -3.784 408 HD2 HIS 5 HD2 HIS 5 26.490 -1.298 -1.203 409 HE1 HIS 5 HE1 HIS 5 30.587 -0.595 -2.056 410 HE2 HIS 5 HE2 HIS 5 28.667 -0.090 -0.504 411 H HIS 6 H HIS 6 25.593 -0.255 -2.820 412 HA HIS 6 HA HIS 6 23.446 -1.275 -1.244 413 1HB HIS 6 1HB HIS 6 25.139 1.134 -1.274 414 2HB HIS 6 2HB HIS 6 23.507 1.398 -0.667 415 HD1 HIS 6 HD1 HIS 6 25.039 -1.915 -0.009 416 HD2 HIS 6 HD2 HIS 6 24.606 1.735 1.930 417 HE1 HIS 6 HE1 HIS 6 25.642 -2.354 2.392 418 HE2 HIS 6 HE2 HIS 6 25.374 -0.131 3.548 419 H GLU 7 H GLU 7 23.704 0.982 -3.931 420 HA GLU 7 HA GLU 7 21.024 1.923 -3.781 421 1HB GLU 7 1HB GLU 7 21.424 2.951 -5.900 422 2HB GLU 7 2HB GLU 7 22.913 3.080 -4.975 423 1HG GLU 7 1HG GLU 7 23.819 1.154 -6.195 424 2HG GLU 7 2HG GLU 7 22.337 1.078 -7.146 425 H ASN 8 H ASN 8 22.604 -0.754 -5.407 426 HA ASN 8 HA ASN 8 20.466 -1.495 -7.091 427 1HB ASN 8 1HB ASN 8 22.830 -2.309 -7.300 428 2HB ASN 8 2HB ASN 8 22.554 -3.324 -5.888 429 2HD2 ASN 8 2HD2 ASN 8 23.075 -5.105 -7.263 430 1HD2 ASN 8 1HD2 ASN 8 21.879 -5.763 -8.321 431 H GLU 9 H GLU 9 21.402 -2.525 -3.826 432 HA GLU 9 HA GLU 9 19.394 -4.448 -3.467 433 1HB GLU 9 1HB GLU 9 21.339 -4.215 -1.967 434 2HB GLU 9 2HB GLU 9 20.700 -2.685 -1.383 435 1HG GLU 9 1HG GLU 9 19.584 -3.769 0.180 436 2HG GLU 9 2HG GLU 9 18.654 -4.592 -1.072 437 H ILE 10 H ILE 10 19.447 -0.997 -2.551 438 HA ILE 10 HA ILE 10 16.749 -1.041 -1.648 439 HB ILE 10 HB ILE 10 16.874 1.376 -1.548 440 1HG1 ILE 10 1HG1 ILE 10 19.477 1.025 -3.041 441 2HG1 ILE 10 2HG1 ILE 10 18.052 1.909 -3.580 442 1HG2 ILE 10 1HG2 ILE 10 18.082 -0.220 0.085 443 2HG2 ILE 10 2HG2 ILE 10 19.556 0.431 -0.632 444 3HG2 ILE 10 3HG2 ILE 10 18.414 1.510 0.171 445 1HD1 ILE 10 1HD1 ILE 10 18.930 2.939 -1.057 446 2HD1 ILE 10 2HD1 ILE 10 20.273 2.910 -2.203 447 3HD1 ILE 10 3HD1 ILE 10 18.783 3.759 -2.615 448 H SER 11 H SER 11 18.095 -1.127 -4.745 449 HA SER 11 HA SER 11 16.071 0.370 -6.103 450 1HB SER 11 1HB SER 11 18.462 -1.086 -6.823 451 2HB SER 11 2HB SER 11 17.128 -1.565 -7.872 452 HG SER 11 HG SER 11 17.165 0.336 -8.775 453 H HIS 12 H HIS 12 16.621 -2.987 -5.200 454 HA HIS 12 HA HIS 12 14.281 -3.969 -6.525 455 1HB HIS 12 1HB HIS 12 15.567 -5.802 -6.259 456 2HB HIS 12 2HB HIS 12 16.501 -5.057 -4.974 457 HD1 HIS 12 HD1 HIS 12 13.516 -7.257 -5.558 458 HD2 HIS 12 HD2 HIS 12 15.779 -5.787 -2.401 459 HE1 HIS 12 HE1 HIS 12 12.785 -8.570 -3.541 460 HE2 HIS 12 HE2 HIS 12 14.168 -7.665 -1.638 461 H HIS 13 H HIS 13 15.081 -2.963 -3.214 462 HA HIS 13 HA HIS 13 12.641 -3.707 -2.020 463 1HB HIS 13 1HB HIS 13 14.416 -1.384 -1.265 464 2HB HIS 13 2HB HIS 13 13.201 -2.136 -0.244 465 HD1 HIS 13 HD1 HIS 13 14.188 -5.113 -1.101 466 HD2 HIS 13 HD2 HIS 13 16.435 -2.007 0.485 467 HE1 HIS 13 HE1 HIS 13 16.172 -6.216 -0.011 468 HE2 HIS 13 HE2 HIS 13 17.526 -4.314 0.944 469 H ALA 14 H ALA 14 13.608 -0.916 -3.900 470 HA ALA 14 HA ALA 14 11.421 0.755 -3.256 471 1HB ALA 14 1HB ALA 14 13.266 0.663 -5.634 472 2HB ALA 14 2HB ALA 14 13.308 1.773 -4.265 473 3HB ALA 14 3HB ALA 14 12.004 1.881 -5.448 474 H LYS 15 H LYS 15 12.012 -1.331 -6.090 475 HA LYS 15 HA LYS 15 9.490 -0.986 -7.261 476 1HB LYS 15 1HB LYS 15 11.750 -2.829 -7.561 477 2HB LYS 15 2HB LYS 15 10.199 -3.553 -7.961 478 1HG LYS 15 1HG LYS 15 9.938 -1.276 -9.314 479 2HG LYS 15 2HG LYS 15 11.699 -1.400 -9.322 480 1HD LYS 15 1HD LYS 15 9.950 -3.713 -10.102 481 2HD LYS 15 2HD LYS 15 10.415 -2.471 -11.266 482 1HE LYS 15 1HE LYS 15 12.758 -3.242 -9.894 483 2HE LYS 15 2HE LYS 15 11.910 -4.723 -10.339 484 1HZ LYS 15 1HZ LYS 15 11.909 -2.866 -12.487 485 2HZ LYS 15 2HZ LYS 15 13.491 -3.170 -11.969 486 3HZ LYS 15 3HZ LYS 15 12.496 -4.453 -12.446 487 H GLU 16 H GLU 16 10.479 -2.774 -4.490 488 HA GLU 16 HA GLU 16 8.292 -4.623 -4.475 489 1HB GLU 16 1HB GLU 16 10.709 -4.391 -3.121 490 2HB GLU 16 2HB GLU 16 9.497 -4.118 -1.877 491 1HG GLU 16 1HG GLU 16 9.141 -6.290 -1.735 492 2HG GLU 16 2HG GLU 16 8.661 -6.333 -3.431 493 H ILE 17 H ILE 17 9.005 -1.551 -2.819 494 HA ILE 17 HA ILE 17 6.621 -1.594 -1.255 495 HB ILE 17 HB ILE 17 7.233 0.501 -0.447 496 1HG1 ILE 17 1HG1 ILE 17 9.167 1.741 -1.884 497 2HG1 ILE 17 2HG1 ILE 17 8.282 0.958 -3.188 498 1HG2 ILE 17 1HG2 ILE 17 9.217 -1.447 -0.764 499 2HG2 ILE 17 2HG2 ILE 17 10.004 0.106 -1.036 500 3HG2 ILE 17 3HG2 ILE 17 9.121 -0.184 0.458 501 1HD1 ILE 17 1HD1 ILE 17 6.910 2.637 -1.119 502 2HD1 ILE 17 2HD1 ILE 17 7.614 3.326 -2.583 503 3HD1 ILE 17 3HD1 ILE 17 6.318 2.136 -2.703 504 H GLU 18 H GLU 18 7.402 -0.541 -4.471 505 HA GLU 18 HA GLU 18 5.079 1.100 -4.827 506 1HB GLU 18 1HB GLU 18 7.009 1.544 -6.193 507 2HB GLU 18 2HB GLU 18 7.034 -0.112 -6.785 508 1HG GLU 18 1HG GLU 18 4.616 1.553 -7.266 509 2HG GLU 18 2HG GLU 18 6.060 1.834 -8.238 510 H ARG 19 H ARG 19 5.965 -2.235 -5.542 511 HA ARG 19 HA ARG 19 3.647 -2.893 -7.024 512 1HB ARG 19 1HB ARG 19 5.646 -4.272 -7.137 513 2HB ARG 19 2HB ARG 19 5.523 -4.643 -5.423 514 1HG ARG 19 1HG ARG 19 3.274 -5.687 -5.960 515 2HG ARG 19 2HG ARG 19 3.744 -5.562 -7.657 516 1HD ARG 19 1HD ARG 19 5.912 -6.759 -6.871 517 2HD ARG 19 2HD ARG 19 4.940 -7.224 -5.476 518 HE ARG 19 HE ARG 19 4.707 -8.219 -8.170 519 1HH1 ARG 19 1HH1 ARG 19 3.110 -7.788 -5.106 520 2HH1 ARG 19 2HH1 ARG 19 1.981 -9.076 -5.365 521 1HH2 ARG 19 1HH2 ARG 19 3.226 -9.918 -8.522 522 2HH2 ARG 19 2HH2 ARG 19 2.048 -10.288 -7.308 523 H LEU 20 H LEU 20 4.480 -3.196 -3.590 524 HA LEU 20 HA LEU 20 2.103 -4.487 -2.795 525 1HB LEU 20 1HB LEU 20 4.461 -3.706 -1.578 526 2HB LEU 20 2HB LEU 20 3.258 -2.703 -0.796 527 HG LEU 20 HG LEU 20 3.411 -4.584 0.581 528 1HD1 LEU 20 1HD1 LEU 20 1.052 -4.078 -0.751 529 2HD1 LEU 20 2HD1 LEU 20 1.228 -5.828 -0.875 530 3HD1 LEU 20 3HD1 LEU 20 1.238 -5.050 0.708 531 1HD2 LEU 20 1HD2 LEU 20 3.710 -6.082 -1.979 532 2HD2 LEU 20 2HD2 LEU 20 4.694 -6.142 -0.518 533 3HD2 LEU 20 3HD2 LEU 20 3.112 -6.922 -0.549 534 H GLN 21 H GLN 21 2.997 -1.111 -3.175 535 HA GLN 21 HA GLN 21 0.681 -0.003 -1.972 536 1HB GLN 21 1HB GLN 21 2.812 1.024 -3.808 537 2HB GLN 21 2HB GLN 21 1.370 1.992 -3.541 538 1HG GLN 21 1HG GLN 21 1.814 1.904 -1.110 539 2HG GLN 21 2HG GLN 21 3.316 1.046 -1.451 540 2HE2 GLN 21 2HE2 GLN 21 4.174 2.414 -3.687 541 1HE2 GLN 21 1HE2 GLN 21 4.572 4.036 -3.246 542 H LYS 22 H LYS 22 1.412 -1.254 -5.135 543 HA LYS 22 HA LYS 22 -0.742 -0.092 -6.549 544 1HB LYS 22 1HB LYS 22 1.119 -1.054 -7.750 545 2HB LYS 22 2HB LYS 22 0.822 -2.632 -7.035 546 1HG LYS 22 1HG LYS 22 -0.021 -2.770 -9.213 547 2HG LYS 22 2HG LYS 22 -1.440 -2.565 -8.184 548 1HD LYS 22 1HD LYS 22 -0.241 -0.064 -9.154 549 2HD LYS 22 2HD LYS 22 -0.923 -1.097 -10.412 550 1HE LYS 22 1HE LYS 22 -2.396 -0.265 -7.917 551 2HE LYS 22 2HE LYS 22 -2.521 0.573 -9.463 552 1HZ LYS 22 1HZ LYS 22 -3.188 -2.290 -9.045 553 2HZ LYS 22 2HZ LYS 22 -4.322 -1.036 -9.084 554 3HZ LYS 22 3HZ LYS 22 -3.413 -1.400 -10.465 555 H GLU 23 H GLU 23 -0.363 -3.209 -4.895 556 HA GLU 23 HA GLU 23 -2.882 -4.268 -5.511 557 1HB GLU 23 1HB GLU 23 -0.668 -5.064 -4.017 558 2HB GLU 23 2HB GLU 23 -1.979 -4.998 -2.847 559 1HG GLU 23 1HG GLU 23 -2.402 -7.079 -3.528 560 2HG GLU 23 2HG GLU 23 -3.180 -6.294 -4.902 561 H ILE 24 H ILE 24 -1.817 -2.344 -2.720 562 HA ILE 24 HA ILE 24 -4.268 -2.351 -1.356 563 HB ILE 24 HB ILE 24 -3.378 -0.876 0.126 564 1HG1 ILE 24 1HG1 ILE 24 -1.704 0.976 -0.626 565 2HG1 ILE 24 2HG1 ILE 24 -2.332 0.652 -2.240 566 1HG2 ILE 24 1HG2 ILE 24 -1.584 -2.617 -0.695 567 2HG2 ILE 24 2HG2 ILE 24 -0.716 -1.152 -1.149 568 3HG2 ILE 24 3HG2 ILE 24 -1.207 -1.402 0.523 569 1HD1 ILE 24 1HD1 ILE 24 -4.446 0.979 -0.282 570 2HD1 ILE 24 2HD1 ILE 24 -3.393 2.393 -0.391 571 3HD1 ILE 24 3HD1 ILE 24 -4.201 1.782 -1.835 572 H GLU 25 H GLU 25 -3.040 -0.344 -3.954 573 HA GLU 25 HA GLU 25 -5.040 1.620 -3.984 574 1HB GLU 25 1HB GLU 25 -3.062 0.574 -5.947 575 2HB GLU 25 2HB GLU 25 -4.390 1.542 -6.572 576 1HG GLU 25 1HG GLU 25 -3.680 3.192 -4.671 577 2HG GLU 25 2HG GLU 25 -2.148 2.326 -4.779 578 H ARG 26 H ARG 26 -4.848 -1.569 -5.489 579 HA ARG 26 HA ARG 26 -7.120 -1.438 -7.101 580 1HB ARG 26 1HB ARG 26 -5.561 -3.295 -7.254 581 2HB ARG 26 2HB ARG 26 -5.946 -3.796 -5.614 582 1HG ARG 26 1HG ARG 26 -8.269 -3.632 -7.382 583 2HG ARG 26 2HG ARG 26 -7.061 -4.819 -7.877 584 1HD ARG 26 1HD ARG 26 -7.769 -4.766 -5.007 585 2HD ARG 26 2HD ARG 26 -9.014 -5.345 -6.113 586 HE ARG 26 HE ARG 26 -6.546 -6.664 -5.424 587 1HH1 ARG 26 1HH1 ARG 26 -9.120 -6.398 -7.754 588 2HH1 ARG 26 2HH1 ARG 26 -8.882 -7.990 -8.394 589 1HH2 ARG 26 1HH2 ARG 26 -6.223 -8.762 -6.258 590 2HH2 ARG 26 2HH2 ARG 26 -7.234 -9.335 -7.543 591 H HIS 27 H HIS 27 -6.767 -2.440 -3.707 592 HA HIS 27 HA HIS 27 -9.523 -2.965 -3.304 593 1HB HIS 27 1HB HIS 27 -7.141 -3.152 -1.791 594 2HB HIS 27 2HB HIS 27 -8.227 -2.109 -0.880 595 HD1 HIS 27 HD1 HIS 27 -10.476 -3.172 -0.063 596 HD2 HIS 27 HD2 HIS 27 -7.844 -5.832 -1.871 597 HE1 HIS 27 HE1 HIS 27 -11.331 -5.465 0.519 598 HE2 HIS 27 HE2 HIS 27 -9.724 -7.060 -0.585 599 H LYS 28 H LYS 28 -7.583 -0.102 -3.353 600 HA LYS 28 HA LYS 28 -9.358 1.577 -1.902 601 1HB LYS 28 1HB LYS 28 -6.816 1.873 -2.534 602 2HB LYS 28 2HB LYS 28 -7.484 2.663 -3.956 603 1HG LYS 28 1HG LYS 28 -8.892 3.836 -1.927 604 2HG LYS 28 2HG LYS 28 -7.301 3.597 -1.201 605 1HD LYS 28 1HD LYS 28 -7.824 4.950 -3.847 606 2HD LYS 28 2HD LYS 28 -7.510 5.782 -2.323 607 1HE LYS 28 1HE LYS 28 -5.299 4.920 -2.212 608 2HE LYS 28 2HE LYS 28 -5.604 3.790 -3.530 609 1HZ LYS 28 1HZ LYS 28 -5.690 6.736 -3.862 610 2HZ LYS 28 2HZ LYS 28 -4.303 5.811 -4.144 611 3HZ LYS 28 3HZ LYS 28 -5.691 5.562 -5.079 612 H GLN 29 H GLN 29 -9.154 0.494 -5.181 613 HA GLN 29 HA GLN 29 -10.806 2.548 -6.295 614 1HB GLN 29 1HB GLN 29 -9.108 0.946 -7.474 615 2HB GLN 29 2HB GLN 29 -10.474 -0.159 -7.542 616 1HG GLN 29 1HG GLN 29 -11.590 1.087 -9.074 617 2HG GLN 29 2HG GLN 29 -10.917 2.609 -8.492 618 2HE2 GLN 29 2HE2 GLN 29 -9.427 -0.396 -9.642 619 1HE2 GLN 29 1HE2 GLN 29 -8.486 0.344 -10.887 620 H SER 30 H SER 30 -11.310 -0.795 -5.231 621 HA SER 30 HA SER 30 -14.046 -0.923 -5.946 622 1HB SER 30 1HB SER 30 -13.911 -2.729 -3.953 623 2HB SER 30 2HB SER 30 -13.293 -3.045 -5.574 624 HG SER 30 HG SER 30 -11.669 -3.552 -4.167 625 H ILE 31 H ILE 31 -12.403 -0.035 -2.936 626 HA ILE 31 HA ILE 31 -14.797 0.303 -1.423 627 HB ILE 31 HB ILE 31 -12.750 -0.134 -0.259 628 1HG1 ILE 31 1HG1 ILE 31 -12.575 1.931 1.237 629 2HG1 ILE 31 2HG1 ILE 31 -13.811 2.652 0.208 630 1HG2 ILE 31 1HG2 ILE 31 -11.603 1.532 -2.158 631 2HG2 ILE 31 2HG2 ILE 31 -11.409 2.401 -0.637 632 3HG2 ILE 31 3HG2 ILE 31 -10.788 0.762 -0.798 633 1HD1 ILE 31 1HD1 ILE 31 -15.148 0.515 0.730 634 2HD1 ILE 31 2HD1 ILE 31 -14.004 0.332 2.061 635 3HD1 ILE 31 3HD1 ILE 31 -15.017 1.773 1.961 636 H LYS 32 H LYS 32 -12.854 2.389 -3.455 637 HA LYS 32 HA LYS 32 -14.125 4.817 -2.615 638 1HB LYS 32 1HB LYS 32 -12.240 4.075 -4.828 639 2HB LYS 32 2HB LYS 32 -13.019 5.651 -4.820 640 1HG LYS 32 1HG LYS 32 -11.457 4.617 -2.474 641 2HG LYS 32 2HG LYS 32 -10.709 5.511 -3.798 642 1HD LYS 32 1HD LYS 32 -12.084 7.429 -3.358 643 2HD LYS 32 2HD LYS 32 -13.028 6.535 -2.165 644 1HE LYS 32 1HE LYS 32 -11.439 7.992 -1.057 645 2HE LYS 32 2HE LYS 32 -11.019 6.304 -0.772 646 1HZ LYS 32 1HZ LYS 32 -9.415 6.541 -2.664 647 2HZ LYS 32 2HZ LYS 32 -9.704 8.207 -2.625 648 3HZ LYS 32 3HZ LYS 32 -9.027 7.435 -1.280 649 H LYS 33 H LYS 33 -14.893 2.305 -4.838 650 HA LYS 33 HA LYS 33 -16.621 3.941 -6.474 651 1HB LYS 33 1HB LYS 33 -15.332 1.519 -6.839 652 2HB LYS 33 2HB LYS 33 -17.020 1.058 -6.669 653 1HG LYS 33 1HG LYS 33 -17.665 2.421 -8.506 654 2HG LYS 33 2HG LYS 33 -16.070 3.175 -8.580 655 1HD LYS 33 1HD LYS 33 -15.124 1.388 -9.625 656 2HD LYS 33 2HD LYS 33 -16.183 0.224 -8.828 657 1HE LYS 33 1HE LYS 33 -17.873 0.505 -10.367 658 2HE LYS 33 2HE LYS 33 -17.343 2.128 -10.808 659 1HZ LYS 33 1HZ LYS 33 -15.264 0.514 -11.535 660 2HZ LYS 33 2HZ LYS 33 -16.631 -0.387 -11.960 661 3HZ LYS 33 3HZ LYS 33 -16.423 1.175 -12.575 662 H LEU 34 H LEU 34 -16.990 1.603 -3.842 663 HA LEU 34 HA LEU 34 -19.876 1.753 -3.994 664 1HB LEU 34 1HB LEU 34 -18.729 -0.345 -3.385 665 2HB LEU 34 2HB LEU 34 -18.104 0.428 -1.943 666 HG LEU 34 HG LEU 34 -20.403 0.711 -1.103 667 1HD1 LEU 34 1HD1 LEU 34 -21.125 -0.714 -3.653 668 2HD1 LEU 34 2HD1 LEU 34 -22.208 -0.577 -2.267 669 3HD1 LEU 34 3HD1 LEU 34 -21.666 0.875 -3.107 670 1HD2 LEU 34 1HD2 LEU 34 -18.896 -1.605 -1.200 671 2HD2 LEU 34 2HD2 LEU 34 -20.264 -1.288 -0.132 672 3HD2 LEU 34 3HD2 LEU 34 -20.514 -2.132 -1.660 673 H LYS 35 H LYS 35 -17.306 3.363 -2.368 674 HA LYS 35 HA LYS 35 -19.039 4.446 -0.301 675 1HB LYS 35 1HB LYS 35 -16.765 3.885 0.339 676 2HB LYS 35 2HB LYS 35 -16.119 4.915 -0.932 677 1HG LYS 35 1HG LYS 35 -17.381 6.811 0.279 678 2HG LYS 35 2HG LYS 35 -17.425 5.690 1.642 679 1HD LYS 35 1HD LYS 35 -14.973 6.721 0.219 680 2HD LYS 35 2HD LYS 35 -15.499 7.127 1.854 681 1HE LYS 35 1HE LYS 35 -15.059 4.932 2.636 682 2HE LYS 35 2HE LYS 35 -14.852 4.317 0.995 683 1HZ LYS 35 1HZ LYS 35 -13.069 6.354 2.206 684 2HZ LYS 35 2HZ LYS 35 -12.752 4.693 2.257 685 3HZ LYS 35 3HZ LYS 35 -12.826 5.496 0.770 686 H GLN 36 H GLN 36 -17.709 5.299 -3.392 687 HA GLN 36 HA GLN 36 -18.326 8.113 -3.123 688 1HB GLN 36 1HB GLN 36 -16.419 7.522 -4.477 689 2HB GLN 36 2HB GLN 36 -17.397 6.447 -5.467 690 1HG GLN 36 1HG GLN 36 -18.231 8.126 -6.713 691 2HG GLN 36 2HG GLN 36 -18.280 9.253 -5.359 692 2HE2 GLN 36 2HE2 GLN 36 -17.470 10.251 -7.672 693 1HE2 GLN 36 1HE2 GLN 36 -15.763 10.513 -7.690 694 H SER 37 H SER 37 -19.767 5.229 -4.475 695 HA SER 37 HA SER 37 -21.805 6.609 -5.944 696 1HB SER 37 1HB SER 37 -22.840 4.299 -6.073 697 2HB SER 37 2HB SER 37 -21.205 4.428 -6.720 698 HG SER 37 HG SER 37 -21.769 3.593 -4.072 699 H GLU 38 H GLU 38 -21.401 5.503 -2.688 700 HA GLU 38 HA GLU 38 -24.175 5.471 -1.997 701 1HB GLU 38 1HB GLU 38 -22.260 4.265 -0.801 702 2HB GLU 38 2HB GLU 38 -21.886 5.820 -0.070 703 1HG GLU 38 1HG GLU 38 -24.567 5.587 0.405 704 2HG GLU 38 2HG GLU 38 -24.011 3.919 0.539 705 H ASP 39 H ASP 39 -21.662 7.881 -2.077 706 HA ASP 39 HA ASP 39 -23.643 9.929 -1.451 707 1HB ASP 39 1HB ASP 39 -22.167 9.155 0.606 708 2HB ASP 39 2HB ASP 39 -20.972 10.210 -0.142 709 H ASP 40 H ASP 40 -22.647 9.318 -3.937 710 HA ASP 40 HA ASP 40 -20.358 10.565 -4.821 711 1HB ASP 40 1HB ASP 40 -22.269 9.203 -6.071 712 2HB ASP 40 2HB ASP 40 -22.804 10.823 -6.507 713 H ASP 41 H ASP 41 -19.804 12.611 -5.506 714 HA ASP 41 HA ASP 41 -21.507 14.762 -4.478 715 1HB ASP 41 1HB ASP 41 -18.646 14.317 -4.632 716 2HB ASP 41 2HB ASP 41 -19.085 15.869 -5.340 No H/Q in entry = 716
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