NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
1320 | 1ah9 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 15.383 12.746 5.411 2 2H ALA 1 2H ALA 1 15.689 11.621 4.266 3 HA ALA 1 HA ALA 1 17.554 13.064 4.439 4 1HB ALA 1 1HB ALA 1 17.020 13.855 6.745 5 2HB ALA 1 2HB ALA 1 17.516 12.288 7.432 6 3HB ALA 1 3HB ALA 1 18.716 13.342 6.647 7 H LYS 2 H LYS 2 17.511 9.968 6.209 8 HA LYS 2 HA LYS 2 19.765 8.943 4.380 9 1HB LYS 2 1HB LYS 2 20.747 9.676 6.585 10 2HB LYS 2 2HB LYS 2 19.683 8.570 7.432 11 1HG LYS 2 1HG LYS 2 20.819 6.646 5.979 12 2HG LYS 2 2HG LYS 2 21.960 7.872 5.466 13 1HD LYS 2 1HD LYS 2 23.016 6.717 7.281 14 2HD LYS 2 2HD LYS 2 22.567 8.279 7.923 15 1HE LYS 2 1HE LYS 2 22.067 6.621 9.627 16 2HE LYS 2 2HE LYS 2 20.516 7.213 9.048 17 1HZ LYS 2 1HZ LYS 2 20.517 4.782 9.175 18 2HZ LYS 2 2HZ LYS 2 21.836 4.662 8.210 19 H GLU 3 H GLU 3 18.262 7.083 6.966 20 HA GLU 3 HA GLU 3 17.167 5.149 4.921 21 1HB GLU 3 1HB GLU 3 16.885 3.593 6.713 22 2HB GLU 3 2HB GLU 3 18.492 4.290 6.758 23 1HG GLU 3 1HG GLU 3 17.779 5.766 8.732 24 2HG GLU 3 2HG GLU 3 16.173 5.051 8.683 25 HE1 GLU 3 HE2 GLU 3 17.169 2.054 10.073 26 H ASP 4 H ASP 4 15.790 7.217 4.439 27 HA ASP 4 HA ASP 4 13.144 7.307 5.838 28 1HB ASP 4 1HB ASP 4 14.033 9.320 5.000 29 2HB ASP 4 2HB ASP 4 14.280 8.727 3.350 30 HD2 ASP 4 HD2 ASP 4 11.139 9.575 2.369 31 H ASN 5 H ASN 5 11.190 7.095 4.854 32 HA ASN 5 HA ASN 5 10.804 4.367 3.568 33 1HB ASN 5 1HB ASN 5 8.730 6.379 4.666 34 2HB ASN 5 2HB ASN 5 8.306 4.888 3.842 35 1HD2 ASN 5 1HD2 ASN 5 8.049 3.806 7.224 36 2HD2 ASN 5 2HD2 ASN 5 7.142 4.679 5.873 37 H ILE 6 H ILE 6 10.460 4.090 1.388 38 HA ILE 6 HA ILE 6 10.128 6.451 -0.416 39 HB ILE 6 HB ILE 6 10.301 3.573 -1.435 40 1HG1 ILE 6 1HG1 ILE 6 12.739 4.893 -0.220 41 2HG1 ILE 6 2HG1 ILE 6 11.868 3.474 0.235 42 1HG2 ILE 6 2HG2 ILE 6 10.093 5.537 -3.079 43 2HG2 ILE 6 3HG2 ILE 6 11.639 6.186 -2.468 44 3HG2 ILE 6 1HG2 ILE 6 11.574 4.627 -3.321 45 1HD1 ILE 6 2HD1 ILE 6 12.439 2.247 -1.889 46 2HD1 ILE 6 3HD1 ILE 6 13.452 3.621 -2.398 47 3HD1 ILE 6 1HD1 ILE 6 13.878 2.688 -0.944 48 H GLU 7 H GLU 7 8.543 6.525 -1.889 49 HA GLU 7 HA GLU 7 6.167 4.701 -1.609 50 1HB GLU 7 1HB GLU 7 4.512 6.057 -2.610 51 2HB GLU 7 2HB GLU 7 5.104 6.680 -1.102 52 1HG GLU 7 2HG GLU 7 6.363 8.306 -2.229 53 2HG GLU 7 1HG GLU 7 6.185 7.578 -3.818 54 HE2 GLU 7 HE2 GLU 7 3.619 9.646 -4.600 55 H MET 8 H MET 8 5.472 3.645 -3.020 56 HA MET 8 HA MET 8 7.086 3.066 -5.559 57 1HB MET 8 1HB MET 8 8.861 3.132 -3.789 58 2HB MET 8 2HB MET 8 7.944 2.098 -2.710 59 1HG MET 8 1HG MET 8 8.306 0.183 -4.091 60 2HG MET 8 2HG MET 8 8.839 1.264 -5.420 61 1HE MET 8 2HE MET 8 10.208 -1.404 -3.657 62 2HE MET 8 1HE MET 8 10.851 -0.877 -5.245 63 3HE MET 8 3HE MET 8 11.941 -0.994 -3.832 64 H GLN 9 H GLN 9 4.788 2.862 -5.700 65 HA GLN 9 HA GLN 9 3.295 0.874 -4.340 66 1HB GLN 9 1HB GLN 9 1.395 1.915 -5.476 67 2HB GLN 9 2HB GLN 9 2.473 2.667 -4.501 68 1HG GLN 9 1HG GLN 9 1.475 4.067 -6.278 69 2HG GLN 9 2HG GLN 9 2.919 4.401 -5.362 70 1HE2 GLN 9 2HE2 GLN 9 3.651 3.573 -9.302 71 2HE2 GLN 9 1HE2 GLN 9 2.177 2.795 -8.527 72 H GLY 10 H GLY 10 1.277 0.480 -6.312 73 1HA GLY 10 1HA GLY 10 2.168 -2.023 -7.866 74 2HA GLY 10 2HA GLY 10 1.557 -2.362 -6.360 75 H THR 11 H THR 11 0.435 -3.710 -7.914 76 HA THR 11 HA THR 11 -2.281 -2.563 -8.915 77 HB THR 11 HB THR 11 -1.079 -5.388 -9.538 78 HG1 THR 11 HG1 THR 11 0.164 -3.535 -10.369 79 1HG2 THR 11 3HG2 THR 11 -3.249 -3.723 -11.013 80 2HG2 THR 11 1HG2 THR 11 -2.660 -5.338 -11.466 81 3HG2 THR 11 2HG2 THR 11 -3.563 -5.124 -9.951 82 H VAL 12 H VAL 12 -3.950 -2.940 -7.433 83 HA VAL 12 HA VAL 12 -3.571 -4.443 -5.021 84 HB VAL 12 HB VAL 12 -6.250 -4.194 -6.508 85 1HG1 VAL 12 1HG2 VAL 12 -5.630 -5.101 -3.611 86 2HG1 VAL 12 2HG2 VAL 12 -7.264 -4.617 -4.138 87 3HG1 VAL 12 3HG2 VAL 12 -6.484 -6.028 -4.838 88 1HG2 VAL 12 1HG1 VAL 12 -5.236 -2.430 -4.283 89 2HG2 VAL 12 2HG1 VAL 12 -5.691 -1.938 -5.938 90 3HG2 VAL 12 3HG1 VAL 12 -6.925 -2.512 -4.815 91 H LEU 13 H LEU 13 -3.210 -6.885 -5.222 92 HA LEU 13 HA LEU 13 -4.843 -8.483 -7.286 93 1HB LEU 13 1HB LEU 13 -2.264 -9.373 -5.943 94 2HB LEU 13 2HB LEU 13 -3.257 -10.332 -7.027 95 HG LEU 13 HG LEU 13 -1.778 -7.723 -7.756 96 1HD1 LEU 13 2HD1 LEU 13 -0.391 -9.810 -7.517 97 2HD1 LEU 13 3HD1 LEU 13 -1.385 -10.611 -8.764 98 3HD1 LEU 13 1HD1 LEU 13 -0.412 -9.179 -9.190 99 1HD2 LEU 13 2HD2 LEU 13 -3.539 -9.468 -9.620 100 2HD2 LEU 13 3HD2 LEU 13 -3.835 -7.770 -9.169 101 3HD2 LEU 13 1HD2 LEU 13 -2.437 -8.176 -10.163 102 H GLU 14 H GLU 14 -4.325 -8.422 -3.782 103 HA GLU 14 HA GLU 14 -7.262 -9.359 -3.789 104 1HB GLU 14 1HB GLU 14 -6.040 -11.215 -3.001 105 2HB GLU 14 2HB GLU 14 -5.038 -10.228 -1.937 106 1HG GLU 14 1HG GLU 14 -6.618 -9.993 -0.250 107 2HG GLU 14 2HG GLU 14 -7.967 -10.338 -1.289 108 HE2 GLU 14 HE2 GLU 14 -7.912 -13.665 -0.569 109 H THR 15 H THR 15 -8.345 -8.649 -2.098 110 HA THR 15 HA THR 15 -7.827 -5.801 -0.870 111 HB THR 15 HB THR 15 -10.318 -5.499 -0.663 112 HG1 THR 15 HG1 THR 15 -10.417 -7.061 -3.016 113 1HG2 THR 15 2HG2 THR 15 -8.654 -4.314 -2.290 114 2HG2 THR 15 3HG2 THR 15 -9.262 -5.373 -3.554 115 3HG2 THR 15 1HG2 THR 15 -10.367 -4.220 -2.731 116 H LEU 16 H LEU 16 -7.122 -6.596 0.937 117 HA LEU 16 HA LEU 16 -7.583 -9.347 1.787 118 1HB LEU 16 1HB LEU 16 -5.659 -7.046 2.141 119 2HB LEU 16 2HB LEU 16 -5.793 -7.960 3.552 120 HG LEU 16 HG LEU 16 -5.067 -9.173 0.913 121 1HD1 LEU 16 2HD1 LEU 16 -3.389 -7.621 1.777 122 2HD1 LEU 16 3HD1 LEU 16 -3.372 -8.452 3.357 123 3HD1 LEU 16 1HD1 LEU 16 -2.800 -9.291 1.884 124 1HD2 LEU 16 2HD2 LEU 16 -5.049 -10.515 3.687 125 2HD2 LEU 16 3HD2 LEU 16 -6.127 -10.938 2.323 126 3HD2 LEU 16 1HD2 LEU 16 -4.387 -11.194 2.169 127 HA PRO 17 HA PRO 17 -10.157 -9.533 5.438 128 1HB PRO 17 2HB PRO 17 -9.272 -8.567 7.897 129 2HB PRO 17 1HB PRO 17 -8.572 -9.990 7.092 130 1HG PRO 17 1HG PRO 17 -7.717 -7.059 7.200 131 2HG PRO 17 2HG PRO 17 -6.781 -8.494 7.678 132 1HD PRO 17 2HD PRO 17 -6.632 -7.476 5.353 133 2HD PRO 17 1HD PRO 17 -6.644 -9.287 5.445 134 H ASN 18 H ASN 18 -9.494 -6.325 6.906 135 HA ASN 18 HA ASN 18 -12.312 -5.425 6.567 136 1HB ASN 18 1HB ASN 18 -9.846 -4.116 7.630 137 2HB ASN 18 2HB ASN 18 -11.383 -3.313 7.552 138 1HD2 ASN 18 1HD2 ASN 18 -11.252 -4.465 10.902 139 2HD2 ASN 18 2HD2 ASN 18 -10.571 -3.146 9.824 140 H THR 19 H THR 19 -9.527 -3.596 5.488 141 HA THR 19 HA THR 19 -10.263 -3.658 2.549 142 HB THR 19 HB THR 19 -10.817 -1.346 4.302 143 HG1 THR 19 HG1 THR 19 -12.337 -2.974 3.417 144 1HG2 THR 19 2HG2 THR 19 -9.396 -0.350 2.341 145 2HG2 THR 19 3HG2 THR 19 -10.496 -1.164 1.204 146 3HG2 THR 19 1HG2 THR 19 -11.092 0.136 2.257 147 H MET 20 H MET 20 -8.077 -4.807 3.445 148 HA MET 20 HA MET 20 -5.882 -2.968 2.692 149 1HB MET 20 1HB MET 20 -6.066 -5.787 3.994 150 2HB MET 20 2HB MET 20 -4.526 -5.000 3.690 151 1HG MET 20 1HG MET 20 -5.306 -3.048 5.086 152 2HG MET 20 2HG MET 20 -6.778 -3.846 5.409 153 1HE MET 20 2HE MET 20 -6.436 -3.688 7.992 154 2HE MET 20 1HE MET 20 -5.014 -4.305 8.887 155 3HE MET 20 3HE MET 20 -4.841 -2.883 7.829 156 H PHE 21 H PHE 21 -3.943 -4.292 1.566 157 HA PHE 21 HA PHE 21 -5.107 -5.023 -1.268 158 1HB PHE 21 1HB PHE 21 -2.930 -3.037 -0.798 159 2HB PHE 21 2HB PHE 21 -3.767 -3.636 -2.250 160 HD1 PHE 21 HD2 PHE 21 -6.067 -3.318 -2.541 161 HD2 PHE 21 HD1 PHE 21 -4.169 -1.726 0.717 162 HE1 PHE 21 HE2 PHE 21 -8.344 -2.309 -1.715 163 HE2 PHE 21 HE1 PHE 21 -6.497 -1.230 1.608 164 HZ PHE 21 HZ PHE 21 -8.396 -0.901 0.089 165 H ARG 22 H ARG 22 -4.252 -7.140 -1.487 166 HA ARG 22 HA ARG 22 -1.366 -7.785 -0.616 167 1HB ARG 22 2HB ARG 22 -3.376 -9.580 -0.556 168 2HB ARG 22 1HB ARG 22 -2.819 -9.803 -2.195 169 1HG ARG 22 2HG ARG 22 -0.404 -10.035 -1.324 170 2HG ARG 22 1HG ARG 22 -1.028 -9.984 0.319 171 1HD ARG 22 1HD ARG 22 -2.433 -12.024 -0.136 172 2HD ARG 22 2HD ARG 22 -1.815 -12.061 -1.817 173 1HH1 ARG 22 2HH2 ARG 22 -1.973 -14.222 -0.873 174 2HH1 ARG 22 1HH2 ARG 22 -0.857 -15.641 -0.487 175 1HH2 ARG 22 1HH1 ARG 22 1.607 -13.471 0.357 176 2HH2 ARG 22 2HH1 ARG 22 1.095 -15.239 0.176 177 H VAL 23 H VAL 23 -0.186 -6.580 -1.842 178 HA VAL 23 HA VAL 23 -1.088 -5.937 -4.686 179 HB VAL 23 HB VAL 23 1.086 -4.274 -3.390 180 1HG1 VAL 23 3HG2 VAL 23 0.232 -3.825 -5.717 181 2HG1 VAL 23 1HG2 VAL 23 -1.362 -3.437 -5.053 182 3HG1 VAL 23 2HG2 VAL 23 0.012 -2.425 -4.644 183 1HG2 VAL 23 1HG1 VAL 23 -1.880 -4.059 -2.753 184 2HG2 VAL 23 2HG1 VAL 23 -0.583 -4.189 -1.550 185 3HG2 VAL 23 3HG1 VAL 23 -0.802 -2.673 -2.461 186 H GLU 24 H GLU 24 0.086 -6.090 -6.349 187 HA GLU 24 HA GLU 24 2.838 -7.509 -6.277 188 1HB GLU 24 1HB GLU 24 1.341 -8.594 -7.809 189 2HB GLU 24 2HB GLU 24 0.914 -7.103 -8.646 190 1HG GLU 24 1HG GLU 24 2.422 -8.358 -10.074 191 2HG GLU 24 2HG GLU 24 3.338 -6.975 -9.509 192 HE2 GLU 24 HE2 GLU 24 5.566 -9.686 -9.380 193 H LEU 25 H LEU 25 4.375 -5.999 -5.919 194 HA LEU 25 HA LEU 25 4.099 -3.240 -6.217 195 1HB LEU 25 1HB LEU 25 6.342 -5.385 -5.868 196 2HB LEU 25 2HB LEU 25 6.925 -3.879 -6.304 197 HG LEU 25 HG LEU 25 5.354 -4.291 -3.817 198 1HD1 LEU 25 2HD2 LEU 25 7.674 -5.317 -3.836 199 2HD1 LEU 25 3HD2 LEU 25 8.380 -3.729 -4.237 200 3HD1 LEU 25 1HD2 LEU 25 7.567 -3.982 -2.681 201 1HD2 LEU 25 2HD1 LEU 25 6.742 -1.717 -4.876 202 2HD2 LEU 25 3HD1 LEU 25 5.013 -1.932 -4.507 203 3HD2 LEU 25 1HD1 LEU 25 6.191 -1.936 -3.200 204 H GLU 26 H GLU 26 5.859 -2.030 -7.251 205 HA GLU 26 HA GLU 26 6.007 -2.274 -10.300 206 1HB GLU 26 1HB GLU 26 7.029 -0.069 -10.363 207 2HB GLU 26 2HB GLU 26 5.547 -0.053 -9.448 208 1HG GLU 26 1HG GLU 26 6.994 1.420 -8.267 209 2HG GLU 26 2HG GLU 26 6.922 -0.003 -7.257 210 HE1 GLU 26 HE2 GLU 26 10.314 0.992 -9.164 211 H ASN 27 H ASN 27 7.861 -3.087 -7.639 212 HA ASN 27 HA ASN 27 10.518 -3.712 -8.935 213 1HB ASN 27 1HB ASN 27 10.226 -2.889 -6.588 214 2HB ASN 27 2HB ASN 27 9.219 -4.300 -6.305 215 1HD2 ASN 27 1HD2 ASN 27 12.210 -5.173 -4.696 216 2HD2 ASN 27 2HD2 ASN 27 10.472 -4.638 -4.535 217 H GLY 28 H GLY 28 7.476 -5.270 -9.141 218 1HA GLY 28 2HA GLY 28 6.865 -7.410 -9.944 219 2HA GLY 28 1HA GLY 28 8.546 -7.834 -10.008 220 H HIS 29 H HIS 29 7.564 -6.981 -6.884 221 HA HIS 29 HA HIS 29 7.281 -9.940 -6.020 222 1HB HIS 29 1HB HIS 29 8.542 -7.536 -4.527 223 2HB HIS 29 2HB HIS 29 8.199 -9.063 -3.761 224 HD2 HIS 29 HD2 HIS 29 10.550 -7.613 -6.536 225 HE1 HIS 29 HE1 HIS 29 12.106 -11.300 -5.359 226 HE2 HIS 29 HE2 HIS 29 12.614 -9.257 -6.860 227 H VAL 30 H VAL 30 5.735 -10.557 -4.516 228 HA VAL 30 HA VAL 30 3.363 -8.776 -4.238 229 HB VAL 30 HB VAL 30 3.853 -11.704 -3.532 230 1HG1 VAL 30 1HG2 VAL 30 1.235 -10.135 -3.044 231 2HG1 VAL 30 2HG2 VAL 30 1.404 -11.913 -2.981 232 3HG1 VAL 30 3HG2 VAL 30 2.244 -10.908 -1.797 233 1HG2 VAL 30 1HG1 VAL 30 1.965 -10.245 -5.528 234 2HG2 VAL 30 2HG1 VAL 30 3.445 -11.123 -5.962 235 3HG2 VAL 30 3HG1 VAL 30 2.051 -12.015 -5.314 236 H VAL 31 H VAL 31 2.914 -7.576 -2.729 237 HA VAL 31 HA VAL 31 4.119 -7.858 0.105 238 HB VAL 31 HB VAL 31 4.073 -5.400 0.414 239 1HG1 VAL 31 2HG2 VAL 31 6.173 -6.569 -0.217 240 2HG1 VAL 31 3HG2 VAL 31 5.898 -6.149 -1.919 241 3HG1 VAL 31 1HG2 VAL 31 6.136 -4.866 -0.687 242 1HG2 VAL 31 2HG1 VAL 31 2.427 -4.634 -1.297 243 2HG2 VAL 31 3HG1 VAL 31 3.982 -3.790 -1.482 244 3HG2 VAL 31 1HG1 VAL 31 3.534 -5.105 -2.603 245 H THR 32 H THR 32 2.985 -7.195 1.844 246 HA THR 32 HA THR 32 -0.096 -7.250 1.616 247 HB THR 32 HB THR 32 1.830 -7.714 3.984 248 HG1 THR 32 HG1 THR 32 1.247 -9.397 2.466 249 1HG2 THR 32 3HG2 THR 32 -1.245 -7.450 4.124 250 2HG2 THR 32 1HG2 THR 32 -0.211 -8.151 5.408 251 3HG2 THR 32 2HG2 THR 32 -0.052 -6.441 4.966 252 H ALA 33 H ALA 33 -0.862 -5.048 1.299 253 HA ALA 33 HA ALA 33 0.143 -3.044 3.369 254 1HB ALA 33 3HB ALA 33 -0.580 -2.790 0.373 255 2HB ALA 33 1HB ALA 33 -0.060 -1.470 1.446 256 3HB ALA 33 2HB ALA 33 1.051 -2.803 1.112 257 H HIS 34 H HIS 34 -1.071 -1.262 3.725 258 HA HIS 34 HA HIS 34 -4.107 -1.606 3.798 259 1HB HIS 34 1HB HIS 34 -3.827 0.179 5.880 260 2HB HIS 34 2HB HIS 34 -4.134 -1.484 6.073 261 HD2 HIS 34 HD2 HIS 34 -1.160 1.071 6.170 262 HE1 HIS 34 HE1 HIS 34 0.081 -2.247 8.383 263 HE2 HIS 34 HE2 HIS 34 0.819 0.125 7.699 264 H ILE 35 H ILE 35 -5.209 0.514 3.652 265 HA ILE 35 HA ILE 35 -3.494 2.514 2.267 266 HB ILE 35 HB ILE 35 -5.294 3.581 1.820 267 1HG1 ILE 35 1HG1 ILE 35 -7.549 2.531 3.532 268 2HG1 ILE 35 2HG1 ILE 35 -6.420 3.590 4.325 269 1HG2 ILE 35 2HG2 ILE 35 -5.644 1.438 0.664 270 2HG2 ILE 35 3HG2 ILE 35 -6.916 1.053 1.874 271 3HG2 ILE 35 1HG2 ILE 35 -7.117 2.415 0.770 272 1HD1 ILE 35 1HD1 ILE 35 -7.853 4.355 1.679 273 2HD1 ILE 35 2HD1 ILE 35 -8.289 4.915 3.295 274 3HD1 ILE 35 3HD1 ILE 35 -6.719 5.372 2.597 275 H SER 36 H SER 36 -3.828 4.994 3.219 276 HA SER 36 HA SER 36 -2.336 4.878 5.768 277 1HB SER 36 1HB SER 36 -1.847 7.215 5.209 278 2HB SER 36 2HB SER 36 -1.578 6.150 3.873 279 HG SER 36 HG SER 36 -2.859 7.483 2.806 280 H GLY 37 H GLY 37 -5.101 4.318 6.222 281 1HA GLY 37 1HA GLY 37 -6.597 4.598 8.124 282 2HA GLY 37 2HA GLY 37 -5.388 5.632 8.836 283 H LYS 38 H LYS 38 -5.380 7.742 7.238 284 HA LYS 38 HA LYS 38 -7.567 9.362 8.196 285 1HB LYS 38 2HB LYS 38 -6.415 11.199 7.286 286 2HB LYS 38 1HB LYS 38 -5.329 10.151 8.165 287 1HG LYS 38 2HG LYS 38 -4.683 9.106 5.938 288 2HG LYS 38 1HG LYS 38 -5.706 10.317 5.159 289 1HD LYS 38 1HD LYS 38 -4.253 12.177 6.095 290 2HD LYS 38 2HD LYS 38 -3.242 10.978 6.913 291 1HE LYS 38 1HE LYS 38 -2.603 9.957 4.678 292 2HE LYS 38 2HE LYS 38 -3.618 11.141 3.837 293 1HZ LYS 38 1HZ LYS 38 -2.249 12.918 4.891 294 2HZ LYS 38 2HZ LYS 38 -1.354 11.950 3.918 295 H MET 39 H MET 39 -6.912 8.747 4.806 296 HA MET 39 HA MET 39 -9.563 9.822 3.970 297 1HB MET 39 1HB MET 39 -9.008 8.674 1.783 298 2HB MET 39 2HB MET 39 -8.035 10.068 2.240 299 1HG MET 39 2HG MET 39 -6.124 8.949 2.171 300 2HG MET 39 1HG MET 39 -6.765 7.511 2.934 301 1HE MET 39 2HE MET 39 -4.734 8.043 0.391 302 2HE MET 39 1HE MET 39 -4.973 6.357 0.943 303 3HE MET 39 3HE MET 39 -5.198 6.782 -0.785 304 H ARG 40 H ARG 40 -8.732 6.390 4.546 305 HA ARG 40 HA ARG 40 -10.828 4.957 3.842 306 1HB ARG 40 1HB ARG 40 -10.034 5.430 6.835 307 2HB ARG 40 2HB ARG 40 -11.057 4.144 6.299 308 1HG ARG 40 2HG ARG 40 -9.173 3.230 4.860 309 2HG ARG 40 1HG ARG 40 -8.100 4.398 5.653 310 1HD ARG 40 1HD ARG 40 -8.638 3.415 7.898 311 2HD ARG 40 2HD ARG 40 -9.781 2.287 7.193 312 1HH1 ARG 40 2HH2 ARG 40 -9.625 1.043 5.425 313 2HH1 ARG 40 1HH2 ARG 40 -8.714 -0.409 4.731 314 1HH2 ARG 40 1HH1 ARG 40 -5.950 0.458 6.440 315 2HH2 ARG 40 2HH1 ARG 40 -6.798 -0.767 5.323 316 H LYS 41 H LYS 41 -11.503 7.638 5.996 317 HA LYS 41 HA LYS 41 -14.403 6.957 5.641 318 1HB LYS 41 1HB LYS 41 -12.827 8.095 8.133 319 2HB LYS 41 2HB LYS 41 -14.442 8.602 7.930 320 1HG LYS 41 1HG LYS 41 -14.556 6.825 9.488 321 2HG LYS 41 2HG LYS 41 -15.246 6.156 8.013 322 1HD LYS 41 1HD LYS 41 -13.100 4.966 7.511 323 2HD LYS 41 2HD LYS 41 -12.299 5.748 8.881 324 1HE LYS 41 1HE LYS 41 -13.923 4.589 10.467 325 2HE LYS 41 2HE LYS 41 -14.716 3.816 9.081 326 1HZ LYS 41 1HZ LYS 41 -11.827 3.517 9.773 327 2HZ LYS 41 2HZ LYS 41 -12.563 2.802 8.502 328 H ASN 42 H ASN 42 -12.601 8.855 4.436 329 HA ASN 42 HA ASN 42 -14.991 10.577 3.483 330 1HB ASN 42 1HB ASN 42 -12.570 11.758 4.052 331 2HB ASN 42 2HB ASN 42 -12.015 10.893 2.642 332 1HD2 ASN 42 1HD2 ASN 42 -12.880 14.105 1.392 333 2HD2 ASN 42 2HD2 ASN 42 -11.530 13.119 2.152 334 H TYR 43 H TYR 43 -14.843 7.755 3.408 335 HA TYR 43 HA TYR 43 -13.247 6.421 2.249 336 1HB TYR 43 2HB TYR 43 -15.171 5.295 3.185 337 2HB TYR 43 1HB TYR 43 -15.906 5.358 1.609 338 HD1 TYR 43 HD1 TYR 43 -12.157 4.647 1.932 339 HD2 TYR 43 HD2 TYR 43 -16.063 2.893 1.417 340 HE1 TYR 43 HE1 TYR 43 -11.139 2.676 0.942 341 HE2 TYR 43 HE2 TYR 43 -14.971 0.865 0.505 342 HH TYR 43 HH TYR 43 -13.012 -0.200 0.152 343 H ILE 44 H ILE 44 -12.250 7.211 0.878 344 HA ILE 44 HA ILE 44 -12.613 7.324 -2.066 345 HB ILE 44 HB ILE 44 -9.949 7.071 -0.795 346 1HG1 ILE 44 1HG1 ILE 44 -11.815 9.456 -0.933 347 2HG1 ILE 44 2HG1 ILE 44 -11.000 8.778 0.408 348 1HG2 ILE 44 3HG2 ILE 44 -9.978 6.861 -3.341 349 2HG2 ILE 44 1HG2 ILE 44 -10.778 8.446 -3.451 350 3HG2 ILE 44 2HG2 ILE 44 -9.116 8.316 -2.833 351 1HD1 ILE 44 1HD1 ILE 44 -8.734 9.671 -0.467 352 2HD1 ILE 44 2HD1 ILE 44 -9.624 10.478 -1.782 353 3HD1 ILE 44 3HD1 ILE 44 -9.926 10.944 -0.096 354 H ARG 45 H ARG 45 -13.700 5.251 -1.712 355 HA ARG 45 HA ARG 45 -12.659 2.854 -1.595 356 1HB ARG 45 1HB ARG 45 -14.687 1.902 -3.104 357 2HB ARG 45 2HB ARG 45 -14.689 2.515 -1.516 358 1HG ARG 45 1HG ARG 45 -16.702 3.296 -2.789 359 2HG ARG 45 2HG ARG 45 -15.761 4.675 -2.267 360 1HD ARG 45 1HD ARG 45 -14.663 4.734 -4.636 361 2HD ARG 45 2HD ARG 45 -15.709 3.406 -5.093 362 1HH1 ARG 45 2HH2 ARG 45 -15.052 6.550 -3.600 363 2HH1 ARG 45 1HH2 ARG 45 -15.954 8.156 -3.719 364 1HH2 ARG 45 1HH1 ARG 45 -18.513 6.571 -5.288 365 2HH2 ARG 45 2HH1 ARG 45 -17.835 8.175 -4.659 366 H ILE 46 H ILE 46 -12.041 1.227 -2.382 367 HA ILE 46 HA ILE 46 -11.252 0.889 -5.323 368 HB ILE 46 HB ILE 46 -9.060 0.579 -5.078 369 1HG1 ILE 46 1HG1 ILE 46 -8.670 1.567 -2.210 370 2HG1 ILE 46 2HG1 ILE 46 -9.326 -0.051 -2.337 371 1HG2 ILE 46 2HG2 ILE 46 -9.772 2.970 -5.363 372 2HG2 ILE 46 3HG2 ILE 46 -9.606 3.222 -3.616 373 3HG2 ILE 46 1HG2 ILE 46 -8.172 2.822 -4.582 374 1HD1 ILE 46 2HD1 ILE 46 -6.953 0.752 -4.134 375 2HD1 ILE 46 3HD1 ILE 46 -6.738 0.112 -2.477 376 3HD1 ILE 46 1HD1 ILE 46 -7.574 -0.858 -3.721 377 H LEU 47 H LEU 47 -10.305 -1.168 -5.848 378 HA LEU 47 HA LEU 47 -11.671 -3.446 -4.403 379 1HB LEU 47 1HB LEU 47 -13.372 -2.241 -5.902 380 2HB LEU 47 2HB LEU 47 -12.388 -2.639 -7.295 381 HG LEU 47 HG LEU 47 -12.900 -5.071 -6.996 382 1HD1 LEU 47 3HD2 LEU 47 -14.595 -4.180 -4.550 383 2HD1 LEU 47 1HD2 LEU 47 -14.611 -5.804 -5.275 384 3HD1 LEU 47 2HD2 LEU 47 -13.149 -5.211 -4.476 385 1HD2 LEU 47 2HD1 LEU 47 -14.438 -3.641 -8.344 386 2HD2 LEU 47 3HD1 LEU 47 -15.322 -4.949 -7.539 387 3HD2 LEU 47 1HD1 LEU 47 -15.417 -3.291 -6.899 388 H THR 48 H THR 48 -11.363 -5.456 -6.031 389 HA THR 48 HA THR 48 -8.448 -5.989 -5.971 390 HB THR 48 HB THR 48 -10.654 -7.728 -6.955 391 HG1 THR 48 HG1 THR 48 -10.452 -8.643 -4.861 392 1HG2 THR 48 3HG2 THR 48 -7.848 -8.445 -5.928 393 2HG2 THR 48 1HG2 THR 48 -9.107 -9.650 -6.287 394 3HG2 THR 48 2HG2 THR 48 -8.412 -8.671 -7.595 395 H GLY 49 H GLY 49 -7.740 -4.448 -7.288 396 1HA GLY 49 1HA GLY 49 -6.221 -4.765 -9.415 397 2HA GLY 49 2HA GLY 49 -7.703 -4.971 -10.357 398 H ASP 50 H ASP 50 -7.343 -2.657 -7.787 399 HA ASP 50 HA ASP 50 -7.540 -0.321 -9.675 400 1HB ASP 50 1HB ASP 50 -8.043 -0.737 -6.758 401 2HB ASP 50 2HB ASP 50 -7.821 0.869 -7.349 402 HD2 ASP 50 HD2 ASP 50 -10.863 1.190 -8.763 403 H LYS 51 H LYS 51 -6.210 1.450 -9.654 404 HA LYS 51 HA LYS 51 -3.465 1.244 -9.116 405 1HB LYS 51 1HB LYS 51 -4.945 3.828 -9.700 406 2HB LYS 51 2HB LYS 51 -3.260 3.452 -9.980 407 1HG LYS 51 2HG LYS 51 -5.669 2.254 -11.355 408 2HG LYS 51 1HG LYS 51 -4.404 3.309 -12.026 409 1HD LYS 51 2HD LYS 51 -2.945 1.099 -11.240 410 2HD LYS 51 1HD LYS 51 -4.454 0.312 -11.578 411 1HE LYS 51 1HE LYS 51 -4.480 1.301 -13.933 412 2HE LYS 51 2HE LYS 51 -2.934 2.112 -13.602 413 1HZ LYS 51 1HZ LYS 51 -1.970 -0.096 -13.124 414 2HZ LYS 51 2HZ LYS 51 -2.492 0.017 -14.671 415 H VAL 52 H VAL 52 -3.458 0.702 -7.162 416 HA VAL 52 HA VAL 52 -3.722 2.509 -4.779 417 HB VAL 52 HB VAL 52 -2.311 0.631 -3.561 418 1HG1 VAL 52 3HG2 VAL 52 -4.784 0.854 -3.329 419 2HG1 VAL 52 1HG2 VAL 52 -4.993 -0.171 -4.776 420 3HG1 VAL 52 2HG2 VAL 52 -4.256 -0.830 -3.292 421 1HG2 VAL 52 2HG1 VAL 52 -1.362 -0.627 -5.442 422 2HG2 VAL 52 3HG1 VAL 52 -2.428 -1.630 -4.423 423 3HG2 VAL 52 1HG1 VAL 52 -3.004 -1.067 -6.005 424 H THR 53 H THR 53 -2.060 3.048 -3.333 425 HA THR 53 HA THR 53 0.653 3.498 -4.453 426 HB THR 53 HB THR 53 -0.428 5.333 -2.264 427 HG1 THR 53 HG1 THR 53 -0.150 6.921 -3.765 428 1HG2 THR 53 3HG2 THR 53 2.378 5.291 -3.651 429 2HG2 THR 53 1HG2 THR 53 1.833 6.555 -2.588 430 3HG2 THR 53 2HG2 THR 53 2.100 4.924 -1.971 431 H VAL 54 H VAL 54 2.292 2.642 -3.032 432 HA VAL 54 HA VAL 54 1.414 1.539 -0.471 433 HB VAL 54 HB VAL 54 3.107 -0.394 -2.135 434 1HG1 VAL 54 3HG2 VAL 54 1.933 -0.850 0.054 435 2HG1 VAL 54 1HG2 VAL 54 0.377 -0.751 -0.758 436 3HG1 VAL 54 2HG2 VAL 54 1.533 -2.057 -1.185 437 1HG2 VAL 54 2HG1 VAL 54 1.281 0.286 -3.996 438 2HG2 VAL 54 3HG1 VAL 54 1.593 -1.407 -3.621 439 3HG2 VAL 54 1HG1 VAL 54 0.142 -0.559 -3.014 440 H GLU 55 H GLU 55 2.599 2.984 0.618 441 HA GLU 55 HA GLU 55 5.461 3.450 -0.151 442 1HB GLU 55 1HB GLU 55 3.869 5.148 1.176 443 2HB GLU 55 2HB GLU 55 4.282 4.172 2.569 444 1HG GLU 55 1HG GLU 55 6.787 4.702 2.080 445 2HG GLU 55 2HG GLU 55 6.228 5.859 0.888 446 HE2 GLU 55 HE2 GLU 55 5.590 8.249 3.191 447 H LEU 56 H LEU 56 7.237 2.614 1.037 448 HA LEU 56 HA LEU 56 6.828 0.592 3.248 449 1HB LEU 56 1HB LEU 56 7.595 -1.289 2.194 450 2HB LEU 56 2HB LEU 56 6.470 -0.640 1.043 451 HG LEU 56 HG LEU 56 9.482 -0.237 0.948 452 1HD1 LEU 56 2HD1 LEU 56 8.680 -2.707 0.623 453 2HD1 LEU 56 3HD1 LEU 56 7.742 -2.177 -0.775 454 3HD1 LEU 56 1HD1 LEU 56 9.522 -2.070 -0.807 455 1HD2 LEU 56 2HD2 LEU 56 7.367 0.415 -1.165 456 2HD2 LEU 56 3HD2 LEU 56 8.507 1.520 -0.356 457 3HD2 LEU 56 1HD2 LEU 56 9.125 0.338 -1.507 458 H THR 57 H THR 57 9.404 -0.437 3.305 459 HA THR 57 HA THR 57 10.788 1.947 4.505 460 HB THR 57 HB THR 57 11.911 0.083 5.950 461 HG1 THR 57 HG1 THR 57 9.410 -1.081 5.420 462 1HG2 THR 57 3HG2 THR 57 9.208 1.159 6.770 463 2HG2 THR 57 1HG2 THR 57 10.407 0.352 7.842 464 3HG2 THR 57 2HG2 THR 57 10.828 1.877 7.042 465 HA PRO 58 HA PRO 58 14.706 0.562 2.378 466 1HB PRO 58 1HB PRO 58 15.553 1.051 5.172 467 2HB PRO 58 2HB PRO 58 16.484 1.302 3.702 468 1HG PRO 58 1HG PRO 58 15.204 3.434 4.620 469 2HG PRO 58 2HG PRO 58 14.808 3.071 2.944 470 1HD PRO 58 1HD PRO 58 13.123 2.390 5.452 471 2HD PRO 58 2HD PRO 58 12.583 3.008 3.912 472 H TYR 59 H TYR 59 14.075 -0.621 5.578 473 HA TYR 59 HA TYR 59 15.737 -3.132 5.369 474 1HB TYR 59 1HB TYR 59 15.167 -1.473 7.482 475 2HB TYR 59 2HB TYR 59 13.812 -2.473 7.692 476 HD1 TYR 59 HD2 TYR 59 17.517 -2.351 7.805 477 HD2 TYR 59 HD1 TYR 59 14.091 -4.873 8.441 478 HE1 TYR 59 HE2 TYR 59 18.912 -3.947 9.070 479 HE2 TYR 59 HE1 TYR 59 15.497 -6.454 9.697 480 HH TYR 59 HH TYR 59 17.548 -6.930 10.411 481 H ASP 60 H ASP 60 12.293 -2.530 5.650 482 HA ASP 60 HA ASP 60 11.711 -5.563 5.550 483 1HB ASP 60 1HB ASP 60 11.117 -4.168 7.646 484 2HB ASP 60 2HB ASP 60 9.848 -3.414 6.700 485 HD2 ASP 60 HD2 ASP 60 8.869 -6.564 8.492 486 H LEU 61 H LEU 61 12.112 -5.129 3.243 487 HA LEU 61 HA LEU 61 10.150 -3.986 1.573 488 1HB LEU 61 1HB LEU 61 11.821 -6.414 0.691 489 2HB LEU 61 2HB LEU 61 11.128 -5.177 -0.309 490 HG LEU 61 HG LEU 61 13.303 -4.571 -0.421 491 1HD1 LEU 61 2HD1 LEU 61 12.051 -2.528 0.470 492 2HD1 LEU 61 3HD1 LEU 61 12.616 -2.934 2.102 493 3HD1 LEU 61 1HD1 LEU 61 13.788 -2.511 0.855 494 1HD2 LEU 61 3HD2 LEU 61 14.221 -6.263 1.169 495 2HD2 LEU 61 1HD2 LEU 61 15.026 -4.692 1.350 496 3HD2 LEU 61 2HD2 LEU 61 13.834 -5.210 2.549 497 H SER 62 H SER 62 9.567 -7.027 3.098 498 HA SER 62 HA SER 62 7.520 -8.044 1.266 499 1HB SER 62 1HB SER 62 7.040 -9.540 3.126 500 2HB SER 62 2HB SER 62 8.769 -9.353 3.028 501 HG SER 62 HG SER 62 8.021 -7.446 4.687 502 H LYS 63 H LYS 63 7.163 -5.176 3.158 503 HA LYS 63 HA LYS 63 4.129 -5.491 3.194 504 1HB LYS 63 1HB LYS 63 6.100 -4.422 5.271 505 2HB LYS 63 2HB LYS 63 4.480 -3.881 5.245 506 1HG LYS 63 1HG LYS 63 4.848 -6.899 5.167 507 2HG LYS 63 2HG LYS 63 5.250 -6.072 6.624 508 1HD LYS 63 2HD LYS 63 2.509 -5.816 5.257 509 2HD LYS 63 1HD LYS 63 2.866 -7.007 6.493 510 1HE LYS 63 1HE LYS 63 3.317 -5.208 8.193 511 2HE LYS 63 2HE LYS 63 3.068 -3.947 6.981 512 1HZ LYS 63 1HZ LYS 63 1.006 -5.966 7.715 513 2HZ LYS 63 2HZ LYS 63 0.799 -4.749 6.652 514 H GLY 64 H GLY 64 3.169 -3.227 3.661 515 1HA GLY 64 1HA GLY 64 4.337 -0.825 2.362 516 2HA GLY 64 2HA GLY 64 3.380 -1.677 1.226 517 H ARG 65 H ARG 65 2.851 0.958 1.891 518 HA ARG 65 HA ARG 65 -0.036 0.504 2.459 519 1HB ARG 65 1HB ARG 65 -0.307 2.196 4.234 520 2HB ARG 65 2HB ARG 65 0.816 0.959 4.695 521 1HG ARG 65 2HG ARG 65 2.539 2.379 5.096 522 2HG ARG 65 1HG ARG 65 2.320 3.253 3.610 523 1HD ARG 65 1HD ARG 65 0.433 4.615 4.609 524 2HD ARG 65 2HD ARG 65 0.595 3.727 6.140 525 1HH1 ARG 65 2HH2 ARG 65 0.274 5.894 6.707 526 2HH1 ARG 65 1HH2 ARG 65 1.132 7.345 7.453 527 1HH2 ARG 65 1HH1 ARG 65 4.068 6.290 6.117 528 2HH2 ARG 65 2HH1 ARG 65 3.204 7.565 7.144 529 H ILE 66 H ILE 66 -0.579 1.859 0.005 530 HA ILE 66 HA ILE 66 -0.747 3.710 -0.693 531 HB ILE 66 HB ILE 66 -3.541 3.410 0.480 532 1HG1 ILE 66 1HG1 ILE 66 -4.353 1.993 -1.214 533 2HG1 ILE 66 2HG1 ILE 66 -2.898 2.076 -2.147 534 1HG2 ILE 66 1HG2 ILE 66 -3.286 5.488 -0.865 535 2HG2 ILE 66 2HG2 ILE 66 -2.810 4.557 -2.276 536 3HG2 ILE 66 3HG2 ILE 66 -4.440 4.381 -1.597 537 1HD1 ILE 66 1HD1 ILE 66 -3.129 0.563 0.537 538 2HD1 ILE 66 2HD1 ILE 66 -3.209 -0.156 -1.107 539 3HD1 ILE 66 3HD1 ILE 66 -1.721 0.514 -0.532 540 H VAL 67 H VAL 67 0.493 5.117 0.328 541 HA VAL 67 HA VAL 67 -0.475 7.043 2.313 542 HB VAL 67 HB VAL 67 1.504 8.418 1.651 543 1HG1 VAL 67 3HG2 VAL 67 1.467 6.932 3.621 544 2HG1 VAL 67 1HG2 VAL 67 2.022 5.568 2.639 545 3HG1 VAL 67 2HG2 VAL 67 3.077 6.974 2.911 546 1HG2 VAL 67 2HG1 VAL 67 2.113 7.714 -0.623 547 2HG2 VAL 67 3HG1 VAL 67 3.445 7.386 0.490 548 3HG2 VAL 67 1HG1 VAL 67 2.404 6.058 -0.064 549 H PHE 68 H PHE 68 0.478 8.498 -0.748 550 HA PHE 68 HA PHE 68 -2.300 9.787 -0.924 551 1HB PHE 68 1HB PHE 68 -1.415 11.850 -1.739 552 2HB PHE 68 2HB PHE 68 -0.732 11.497 -0.189 553 HD1 PHE 68 HD1 PHE 68 0.020 11.702 -3.854 554 HD2 PHE 68 HD2 PHE 68 1.711 11.282 0.079 555 HE1 PHE 68 HE1 PHE 68 2.248 12.242 -4.746 556 HE2 PHE 68 HE2 PHE 68 3.934 11.836 -0.827 557 HZ PHE 68 HZ PHE 68 4.206 12.321 -3.236 558 H ARG 69 H ARG 69 -3.223 9.903 -2.955 559 HA ARG 69 HA ARG 69 -2.746 7.650 -4.658 560 1HB ARG 69 1HB ARG 69 -4.914 9.009 -4.234 561 2HB ARG 69 2HB ARG 69 -4.354 10.137 -5.453 562 1HG ARG 69 1HG ARG 69 -5.937 8.578 -6.452 563 2HG ARG 69 2HG ARG 69 -4.373 8.249 -7.164 564 1HD ARG 69 1HD ARG 69 -5.551 6.141 -6.705 565 2HD ARG 69 2HD ARG 69 -4.119 6.196 -5.688 566 1HH1 ARG 69 2HH2 ARG 69 -5.272 4.261 -5.315 567 2HH1 ARG 69 1HH2 ARG 69 -6.177 3.394 -3.953 568 1HH2 ARG 69 1HH1 ARG 69 -7.400 6.344 -2.868 569 2HH2 ARG 69 2HH1 ARG 69 -7.362 4.514 -2.642 570 H SER 70 H SER 70 -0.863 7.414 -5.603 571 HA SER 70 HA SER 70 0.304 9.548 -7.480 572 1HB SER 70 1HB SER 70 1.684 7.199 -6.023 573 2HB SER 70 2HB SER 70 2.484 8.380 -7.053 574 HG SER 70 HG SER 70 0.937 9.120 -4.767 575 H ARG 71 H ARG 71 -0.811 6.209 -7.619 576 HA ARG 71 HA ARG 71 0.519 5.730 -10.297 577 1HB ARG 71 2HB ARG 71 0.283 3.970 -8.390 578 2HB ARG 71 1HB ARG 71 -1.418 3.875 -8.758 579 1HG ARG 71 1HG ARG 71 -0.810 3.191 -11.170 580 2HG ARG 71 2HG ARG 71 0.894 3.384 -10.772 581 1HD ARG 71 1HD ARG 71 0.593 1.535 -8.954 582 2HD ARG 71 2HD ARG 71 -1.050 1.321 -9.539 583 1HH1 ARG 71 2HH2 ARG 71 -1.370 -0.459 -10.124 584 2HH1 ARG 71 1HH2 ARG 71 -1.223 -1.828 -11.351 585 1HH2 ARG 71 1HH1 ARG 71 1.517 -0.349 -12.665 586 2HH2 ARG 71 2HH1 ARG 71 0.336 -1.773 -12.727 No H/Q in entry = 586 Start of MODEL 2 1 1H ALA 1 1H ALA 1 21.745 5.445 8.852 2 2H ALA 1 2H ALA 1 22.202 3.898 8.570 3 HA ALA 1 HA ALA 1 22.813 6.231 6.842 4 1HB ALA 1 2HB ALA 1 24.653 4.557 6.881 5 2HB ALA 1 3HB ALA 1 23.525 3.244 6.468 6 3HB ALA 1 1HB ALA 1 23.852 4.545 5.298 7 H LYS 2 H LYS 2 21.034 3.077 6.708 8 HA LYS 2 HA LYS 2 19.251 4.161 4.533 9 1HB LYS 2 1HB LYS 2 18.249 1.977 4.415 10 2HB LYS 2 2HB LYS 2 19.977 1.926 4.231 11 1HG LYS 2 1HG LYS 2 20.332 0.813 6.365 12 2HG LYS 2 2HG LYS 2 18.740 1.238 6.959 13 1HD LYS 2 1HD LYS 2 18.693 -1.102 6.436 14 2HD LYS 2 2HD LYS 2 17.636 -0.274 5.311 15 1HE LYS 2 1HE LYS 2 19.513 -0.383 3.534 16 2HE LYS 2 2HE LYS 2 20.493 -1.307 4.682 17 1HZ LYS 2 1HZ LYS 2 17.753 -2.084 3.757 18 2HZ LYS 2 2HZ LYS 2 18.660 -2.954 4.788 19 H GLU 3 H GLU 3 18.440 5.919 5.766 20 HA GLU 3 HA GLU 3 15.919 5.201 7.388 21 1HB GLU 3 1HB GLU 3 16.310 7.156 8.758 22 2HB GLU 3 2HB GLU 3 17.714 6.110 8.774 23 1HG GLU 3 1HG GLU 3 18.904 7.704 7.149 24 2HG GLU 3 2HG GLU 3 17.493 8.755 7.159 25 HE1 GLU 3 HE2 GLU 3 18.201 10.104 10.227 26 H ASP 4 H ASP 4 15.751 5.463 4.575 27 HA ASP 4 HA ASP 4 13.691 7.658 4.368 28 1HB ASP 4 1HB ASP 4 14.314 7.674 2.062 29 2HB ASP 4 2HB ASP 4 15.727 7.952 3.050 30 HD2 ASP 4 HD2 ASP 4 15.763 5.207 0.287 31 H ASN 5 H ASN 5 11.673 7.041 4.343 32 HA ASN 5 HA ASN 5 10.789 4.214 3.600 33 1HB ASN 5 1HB ASN 5 9.295 6.622 4.821 34 2HB ASN 5 2HB ASN 5 8.449 5.241 4.163 35 1HD2 ASN 5 1HD2 ASN 5 8.629 4.013 7.473 36 2HD2 ASN 5 2HD2 ASN 5 7.590 4.780 6.164 37 H ILE 6 H ILE 6 10.677 3.946 1.273 38 HA ILE 6 HA ILE 6 10.199 6.298 -0.471 39 HB ILE 6 HB ILE 6 10.411 3.461 -1.565 40 1HG1 ILE 6 1HG1 ILE 6 12.880 4.777 -0.409 41 2HG1 ILE 6 2HG1 ILE 6 12.019 3.366 0.095 42 1HG2 ILE 6 2HG2 ILE 6 10.160 5.484 -3.147 43 2HG2 ILE 6 3HG2 ILE 6 11.702 6.129 -2.529 44 3HG2 ILE 6 1HG2 ILE 6 11.649 4.604 -3.439 45 1HD1 ILE 6 3HD1 ILE 6 12.459 2.139 -2.074 46 2HD1 ILE 6 1HD1 ILE 6 13.479 3.491 -2.613 47 3HD1 ILE 6 2HD1 ILE 6 13.947 2.533 -1.188 48 H GLU 7 H GLU 7 8.629 6.461 -1.869 49 HA GLU 7 HA GLU 7 6.223 4.661 -1.668 50 1HB GLU 7 1HB GLU 7 4.648 6.312 -2.655 51 2HB GLU 7 2HB GLU 7 5.188 6.571 -1.002 52 1HG GLU 7 1HG GLU 7 6.743 8.222 -1.613 53 2HG GLU 7 2HG GLU 7 6.641 7.882 -3.317 54 HE2 GLU 7 HE2 GLU 7 4.824 10.960 -2.591 55 H MET 8 H MET 8 5.515 3.709 -3.092 56 HA MET 8 HA MET 8 7.009 3.213 -5.711 57 1HB MET 8 1HB MET 8 8.882 3.224 -4.080 58 2HB MET 8 2HB MET 8 8.056 2.182 -2.943 59 1HG MET 8 1HG MET 8 8.287 0.259 -4.372 60 2HG MET 8 2HG MET 8 8.706 1.348 -5.726 61 1HE MET 8 2HE MET 8 10.772 -0.436 -6.104 62 2HE MET 8 1HE MET 8 12.023 -0.765 -4.869 63 3HE MET 8 3HE MET 8 10.346 -1.328 -4.607 64 H GLN 9 H GLN 9 4.698 2.944 -5.745 65 HA GLN 9 HA GLN 9 3.333 0.777 -4.465 66 1HB GLN 9 1HB GLN 9 1.371 1.851 -5.404 67 2HB GLN 9 2HB GLN 9 2.477 2.605 -4.418 68 1HG GLN 9 1HG GLN 9 1.479 4.226 -5.831 69 2HG GLN 9 2HG GLN 9 3.183 4.292 -5.425 70 1HE2 GLN 9 2HE2 GLN 9 2.161 3.551 -9.354 71 2HE2 GLN 9 1HE2 GLN 9 1.008 3.105 -7.988 72 H GLY 10 H GLY 10 1.343 0.596 -6.526 73 1HA GLY 10 2HA GLY 10 2.082 -1.026 -8.808 74 2HA GLY 10 1HA GLY 10 2.009 -2.185 -7.498 75 H THR 11 H THR 11 0.247 -3.419 -8.026 76 HA THR 11 HA THR 11 -2.471 -2.066 -8.557 77 HB THR 11 HB THR 11 -1.315 -4.483 -10.105 78 HG1 THR 11 HG1 THR 11 -0.647 -2.242 -10.619 79 1HG2 THR 11 3HG2 THR 11 -4.023 -3.011 -10.466 80 2HG2 THR 11 1HG2 THR 11 -3.365 -4.258 -11.550 81 3HG2 THR 11 2HG2 THR 11 -3.810 -4.689 -9.888 82 H VAL 12 H VAL 12 -4.070 -2.951 -7.392 83 HA VAL 12 HA VAL 12 -3.437 -4.470 -5.004 84 HB VAL 12 HB VAL 12 -6.185 -4.432 -6.401 85 1HG1 VAL 12 1HG2 VAL 12 -5.336 -5.262 -3.550 86 2HG1 VAL 12 2HG2 VAL 12 -7.020 -4.953 -3.986 87 3HG1 VAL 12 3HG2 VAL 12 -6.191 -6.228 -4.784 88 1HG2 VAL 12 1HG1 VAL 12 -5.534 -2.544 -4.109 89 2HG2 VAL 12 2HG1 VAL 12 -5.951 -2.075 -5.778 90 3HG2 VAL 12 3HG1 VAL 12 -7.120 -2.893 -4.771 91 H LEU 13 H LEU 13 -3.032 -6.942 -5.117 92 HA LEU 13 HA LEU 13 -4.492 -8.601 -7.243 93 1HB LEU 13 1HB LEU 13 -2.473 -9.812 -5.315 94 2HB LEU 13 2HB LEU 13 -3.321 -10.576 -6.629 95 HG LEU 13 HG LEU 13 -1.104 -8.486 -6.842 96 1HD1 LEU 13 2HD2 LEU 13 -0.410 -10.855 -6.359 97 2HD1 LEU 13 3HD2 LEU 13 -1.333 -11.445 -7.760 98 3HD1 LEU 13 1HD2 LEU 13 0.091 -10.422 -8.004 99 1HD2 LEU 13 2HD1 LEU 13 -2.755 -9.668 -9.186 100 2HD2 LEU 13 3HD1 LEU 13 -2.661 -7.956 -8.707 101 3HD2 LEU 13 1HD1 LEU 13 -1.234 -8.759 -9.368 102 H GLU 14 H GLU 14 -4.457 -8.206 -3.714 103 HA GLU 14 HA GLU 14 -7.427 -8.937 -3.900 104 1HB GLU 14 1HB GLU 14 -6.268 -10.920 -3.105 105 2HB GLU 14 2HB GLU 14 -5.433 -10.002 -1.850 106 1HG GLU 14 1HG GLU 14 -6.992 -11.109 -0.694 107 2HG GLU 14 2HG GLU 14 -7.764 -9.591 -0.741 108 HE1 GLU 14 HE2 GLU 14 -10.359 -10.584 -2.824 109 H THR 15 H THR 15 -8.521 -8.229 -2.225 110 HA THR 15 HA THR 15 -7.860 -5.445 -0.796 111 HB THR 15 HB THR 15 -10.196 -4.760 -0.960 112 HG1 THR 15 HG1 THR 15 -11.040 -6.838 -1.603 113 1HG2 THR 15 2HG2 THR 15 -8.304 -4.030 -2.611 114 2HG2 THR 15 3HG2 THR 15 -9.105 -5.061 -3.794 115 3HG2 THR 15 1HG2 THR 15 -9.966 -3.667 -3.083 116 H LEU 16 H LEU 16 -7.435 -6.769 1.012 117 HA LEU 16 HA LEU 16 -8.791 -9.148 1.827 118 1HB LEU 16 1HB LEU 16 -6.749 -6.953 2.769 119 2HB LEU 16 2HB LEU 16 -7.319 -8.024 3.918 120 HG LEU 16 HG LEU 16 -5.391 -8.851 3.380 121 1HD1 LEU 16 2HD2 LEU 16 -6.997 -10.876 3.344 122 2HD1 LEU 16 3HD2 LEU 16 -7.149 -10.673 1.577 123 3HD1 LEU 16 1HD2 LEU 16 -5.595 -11.130 2.278 124 1HD2 LEU 16 1HD1 LEU 16 -4.919 -7.599 1.380 125 2HD2 LEU 16 2HD1 LEU 16 -4.425 -9.287 1.195 126 3HD2 LEU 16 3HD1 LEU 16 -5.914 -8.698 0.402 127 HA PRO 17 HA PRO 17 -12.276 -8.387 4.508 128 1HB PRO 17 1HB PRO 17 -11.462 -9.291 7.057 129 2HB PRO 17 2HB PRO 17 -11.942 -10.317 5.683 130 1HG PRO 17 2HG PRO 17 -9.246 -9.438 6.758 131 2HG PRO 17 1HG PRO 17 -9.815 -11.097 6.380 132 1HD PRO 17 2HD PRO 17 -8.475 -9.740 4.714 133 2HD PRO 17 1HD PRO 17 -9.881 -10.655 4.042 134 H ASN 18 H ASN 18 -9.577 -6.698 6.187 135 HA ASN 18 HA ASN 18 -11.435 -4.594 7.378 136 1HB ASN 18 1HB ASN 18 -8.454 -4.975 7.370 137 2HB ASN 18 2HB ASN 18 -9.286 -3.675 8.156 138 1HD2 ASN 18 1HD2 ASN 18 -8.594 -5.964 10.789 139 2HD2 ASN 18 2HD2 ASN 18 -7.572 -5.140 9.514 140 H THR 19 H THR 19 -8.700 -3.305 6.021 141 HA THR 19 HA THR 19 -9.745 -2.995 3.200 142 HB THR 19 HB THR 19 -9.370 -0.722 5.060 143 HG1 THR 19 HG1 THR 19 -11.433 -2.035 4.585 144 1HG2 THR 19 3HG2 THR 19 -9.959 -0.727 1.966 145 2HG2 THR 19 1HG2 THR 19 -9.977 0.749 2.949 146 3HG2 THR 19 2HG2 THR 19 -8.453 -0.117 2.673 147 H MET 20 H MET 20 -7.604 -4.516 3.983 148 HA MET 20 HA MET 20 -5.321 -3.169 2.875 149 1HB MET 20 1HB MET 20 -6.053 -5.859 4.376 150 2HB MET 20 2HB MET 20 -4.411 -5.550 3.875 151 1HG MET 20 2HG MET 20 -4.247 -3.657 5.310 152 2HG MET 20 1HG MET 20 -5.883 -3.500 5.647 153 1HE MET 20 1HE MET 20 -2.895 -6.172 5.724 154 2HE MET 20 3HE MET 20 -2.527 -4.770 6.770 155 3HE MET 20 2HE MET 20 -2.769 -6.388 7.496 156 H PHE 21 H PHE 21 -3.698 -4.338 1.718 157 HA PHE 21 HA PHE 21 -5.029 -5.085 -1.051 158 1HB PHE 21 1HB PHE 21 -2.760 -3.132 -0.691 159 2HB PHE 21 2HB PHE 21 -3.665 -3.705 -2.107 160 HD1 PHE 21 HD2 PHE 21 -5.995 -3.428 -2.256 161 HD2 PHE 21 HD1 PHE 21 -3.882 -1.766 0.876 162 HE1 PHE 21 HE2 PHE 21 -8.221 -2.460 -1.210 163 HE2 PHE 21 HE1 PHE 21 -6.122 -1.170 1.885 164 HZ PHE 21 HZ PHE 21 -8.117 -0.996 0.510 165 H ARG 22 H ARG 22 -4.166 -7.198 -1.374 166 HA ARG 22 HA ARG 22 -1.255 -7.902 -0.635 167 1HB ARG 22 2HB ARG 22 -3.473 -9.613 -0.749 168 2HB ARG 22 1HB ARG 22 -2.678 -9.877 -2.270 169 1HG ARG 22 1HG ARG 22 -0.442 -10.131 -0.855 170 2HG ARG 22 2HG ARG 22 -1.497 -10.222 0.551 171 1HD ARG 22 1HD ARG 22 -1.561 -12.090 -1.908 172 2HD ARG 22 2HD ARG 22 -0.804 -12.438 -0.365 173 1HH1 ARG 22 2HH2 ARG 22 -3.290 -12.447 -2.665 174 2HH1 ARG 22 1HH2 ARG 22 -4.995 -13.143 -2.577 175 1HH2 ARG 22 1HH1 ARG 22 -4.781 -13.274 0.795 176 2HH2 ARG 22 2HH1 ARG 22 -5.809 -13.600 -0.710 177 H VAL 23 H VAL 23 -0.132 -6.544 -1.858 178 HA VAL 23 HA VAL 23 -1.149 -5.869 -4.649 179 HB VAL 23 HB VAL 23 1.129 -4.262 -3.444 180 1HG1 VAL 23 3HG2 VAL 23 0.223 -3.656 -5.722 181 2HG1 VAL 23 1HG2 VAL 23 -1.391 -3.455 -4.997 182 3HG1 VAL 23 2HG2 VAL 23 -0.078 -2.366 -4.545 183 1HG2 VAL 23 1HG1 VAL 23 -1.798 -4.069 -2.671 184 2HG2 VAL 23 2HG1 VAL 23 -0.459 -4.239 -1.524 185 3HG2 VAL 23 3HG1 VAL 23 -0.714 -2.690 -2.374 186 H GLU 24 H GLU 24 -0.060 -5.878 -6.429 187 HA GLU 24 HA GLU 24 2.616 -7.440 -6.555 188 1HB GLU 24 1HB GLU 24 0.829 -8.346 -8.013 189 2HB GLU 24 2HB GLU 24 0.634 -6.810 -8.843 190 1HG GLU 24 1HG GLU 24 3.011 -7.013 -9.741 191 2HG GLU 24 2HG GLU 24 3.249 -8.503 -8.833 192 HE1 GLU 24 HE2 GLU 24 1.431 -10.441 -11.010 193 H LEU 25 H LEU 25 4.180 -5.907 -6.138 194 HA LEU 25 HA LEU 25 3.956 -3.149 -6.526 195 1HB LEU 25 1HB LEU 25 6.151 -5.317 -6.073 196 2HB LEU 25 2HB LEU 25 6.759 -3.830 -6.544 197 HG LEU 25 HG LEU 25 5.172 -4.187 -4.063 198 1HD1 LEU 25 2HD2 LEU 25 7.519 -5.138 -4.068 199 2HD1 LEU 25 3HD2 LEU 25 8.172 -3.540 -4.524 200 3HD1 LEU 25 1HD2 LEU 25 7.384 -3.771 -2.954 201 1HD2 LEU 25 2HD1 LEU 25 6.467 -1.586 -5.160 202 2HD2 LEU 25 3HD1 LEU 25 4.743 -1.862 -4.808 203 3HD2 LEU 25 1HD1 LEU 25 5.903 -1.811 -3.490 204 H GLU 26 H GLU 26 5.735 -1.994 -7.571 205 HA GLU 26 HA GLU 26 5.963 -2.357 -10.605 206 1HB GLU 26 1HB GLU 26 7.004 -0.136 -10.687 207 2HB GLU 26 2HB GLU 26 5.439 -0.133 -9.911 208 1HG GLU 26 1HG GLU 26 6.695 -0.060 -7.598 209 2HG GLU 26 2HG GLU 26 8.180 0.186 -8.506 210 HE1 GLU 26 HE2 GLU 26 5.316 3.057 -8.599 211 H ASN 27 H ASN 27 7.728 -3.098 -7.877 212 HA ASN 27 HA ASN 27 10.462 -3.653 -9.056 213 1HB ASN 27 1HB ASN 27 10.057 -2.855 -6.707 214 2HB ASN 27 2HB ASN 27 9.069 -4.291 -6.486 215 1HD2 ASN 27 1HD2 ASN 27 12.011 -5.176 -4.804 216 2HD2 ASN 27 2HD2 ASN 27 10.239 -4.748 -4.694 217 H GLY 28 H GLY 28 7.472 -5.299 -9.396 218 1HA GLY 28 1HA GLY 28 6.909 -7.503 -10.082 219 2HA GLY 28 2HA GLY 28 8.611 -7.838 -10.194 220 H HIS 29 H HIS 29 7.327 -6.955 -7.116 221 HA HIS 29 HA HIS 29 7.252 -9.892 -6.143 222 1HB HIS 29 1HB HIS 29 8.392 -7.360 -4.762 223 2HB HIS 29 2HB HIS 29 8.039 -8.822 -3.883 224 HD2 HIS 29 HD2 HIS 29 10.479 -7.589 -6.691 225 HE1 HIS 29 HE1 HIS 29 12.022 -11.133 -5.122 226 HE2 HIS 29 HE2 HIS 29 12.576 -9.223 -6.773 227 H VAL 30 H VAL 30 5.690 -10.510 -4.636 228 HA VAL 30 HA VAL 30 3.254 -8.742 -4.477 229 HB VAL 30 HB VAL 30 3.684 -11.706 -3.956 230 1HG1 VAL 30 1HG2 VAL 30 1.094 -10.122 -3.357 231 2HG1 VAL 30 2HG2 VAL 30 1.233 -11.905 -3.438 232 3HG1 VAL 30 3HG2 VAL 30 2.090 -11.009 -2.174 233 1HG2 VAL 30 2HG1 VAL 30 3.320 -10.876 -6.340 234 2HG2 VAL 30 3HG1 VAL 30 1.933 -11.848 -5.790 235 3HG2 VAL 30 1HG1 VAL 30 1.825 -10.066 -5.833 236 H VAL 31 H VAL 31 2.985 -7.486 -3.003 237 HA VAL 31 HA VAL 31 4.267 -7.829 -0.208 238 HB VAL 31 HB VAL 31 4.284 -5.400 0.125 239 1HG1 VAL 31 3HG2 VAL 31 6.313 -6.553 -0.797 240 2HG1 VAL 31 1HG2 VAL 31 5.829 -6.074 -2.431 241 3HG1 VAL 31 2HG2 VAL 31 6.219 -4.836 -1.195 242 1HG2 VAL 31 2HG1 VAL 31 2.459 -4.593 -1.371 243 2HG2 VAL 31 3HG1 VAL 31 3.982 -3.743 -1.712 244 3HG2 VAL 31 1HG1 VAL 31 3.410 -5.033 -2.805 245 H THR 32 H THR 32 3.236 -7.170 1.651 246 HA THR 32 HA THR 32 0.150 -7.284 1.569 247 HB THR 32 HB THR 32 2.130 -7.730 3.883 248 HG1 THR 32 HG1 THR 32 1.661 -9.390 2.304 249 1HG2 THR 32 1HG2 THR 32 -0.964 -7.672 3.992 250 2HG2 THR 32 2HG2 THR 32 0.096 -8.337 5.273 251 3HG2 THR 32 3HG2 THR 32 0.143 -6.607 4.880 252 H ALA 33 H ALA 33 -0.691 -5.138 1.380 253 HA ALA 33 HA ALA 33 0.314 -3.139 3.442 254 1HB ALA 33 3HB ALA 33 -0.836 -2.919 0.555 255 2HB ALA 33 1HB ALA 33 -0.268 -1.556 1.539 256 3HB ALA 33 2HB ALA 33 0.879 -2.815 1.045 257 H HIS 34 H HIS 34 -1.026 -1.387 3.816 258 HA HIS 34 HA HIS 34 -4.029 -1.839 4.114 259 1HB HIS 34 1HB HIS 34 -3.790 0.002 6.082 260 2HB HIS 34 2HB HIS 34 -4.000 -1.661 6.357 261 HD2 HIS 34 HD2 HIS 34 -1.340 1.157 6.501 262 HE1 HIS 34 HE1 HIS 34 0.205 -1.992 8.767 263 HE2 HIS 34 HE2 HIS 34 0.686 0.454 8.110 264 H ILE 35 H ILE 35 -5.007 0.531 4.125 265 HA ILE 35 HA ILE 35 -3.244 2.381 2.518 266 HB ILE 35 HB ILE 35 -5.058 3.607 2.264 267 1HG1 ILE 35 1HG1 ILE 35 -7.248 2.270 3.881 268 2HG1 ILE 35 2HG1 ILE 35 -6.184 3.378 4.706 269 1HG2 ILE 35 3HG2 ILE 35 -5.273 1.444 0.941 270 2HG2 ILE 35 1HG2 ILE 35 -6.648 1.066 2.016 271 3HG2 ILE 35 2HG2 ILE 35 -6.703 2.490 0.980 272 1HD1 ILE 35 1HD1 ILE 35 -7.524 4.263 2.049 273 2HD1 ILE 35 2HD1 ILE 35 -8.297 4.449 3.607 274 3HD1 ILE 35 3HD1 ILE 35 -6.751 5.263 3.300 275 H SER 36 H SER 36 -3.701 4.873 3.366 276 HA SER 36 HA SER 36 -2.350 5.137 6.056 277 1HB SER 36 1HB SER 36 -2.039 7.395 5.367 278 2HB SER 36 2HB SER 36 -1.397 6.318 4.168 279 HG SER 36 HG SER 36 -2.955 6.899 2.767 280 H GLY 37 H GLY 37 -3.597 5.120 7.734 281 1HA GLY 37 1HA GLY 37 -6.288 5.128 8.157 282 2HA GLY 37 2HA GLY 37 -5.272 5.873 9.351 283 H LYS 38 H LYS 38 -4.892 8.108 7.220 284 HA LYS 38 HA LYS 38 -7.002 9.908 8.231 285 1HB LYS 38 2HB LYS 38 -4.951 10.470 5.983 286 2HB LYS 38 1HB LYS 38 -5.689 11.611 7.065 287 1HG LYS 38 1HG LYS 38 -4.227 10.718 8.970 288 2HG LYS 38 2HG LYS 38 -3.511 9.557 7.827 289 1HD LYS 38 1HD LYS 38 -2.721 11.469 6.366 290 2HD LYS 38 2HD LYS 38 -3.416 12.638 7.494 291 1HE LYS 38 1HE LYS 38 -1.889 11.826 9.332 292 2HE LYS 38 2HE LYS 38 -1.206 10.598 8.249 293 1HZ LYS 38 1HZ LYS 38 -0.461 12.383 6.766 294 2HZ LYS 38 2HZ LYS 38 0.158 12.614 8.262 295 H MET 39 H MET 39 -6.181 8.724 5.010 296 HA MET 39 HA MET 39 -8.633 9.934 3.794 297 1HB MET 39 1HB MET 39 -7.916 8.426 1.811 298 2HB MET 39 2HB MET 39 -7.056 9.923 2.137 299 1HG MET 39 2HG MET 39 -5.197 8.817 2.957 300 2HG MET 39 1HG MET 39 -5.975 7.252 2.917 301 1HE MET 39 2HE MET 39 -7.044 6.323 0.581 302 2HE MET 39 1HE MET 39 -5.841 6.187 -0.732 303 3HE MET 39 3HE MET 39 -5.419 5.659 0.926 304 H ARG 40 H ARG 40 -8.084 6.545 4.840 305 HA ARG 40 HA ARG 40 -10.215 5.151 4.244 306 1HB ARG 40 1HB ARG 40 -9.544 6.057 7.133 307 2HB ARG 40 2HB ARG 40 -10.656 4.782 6.767 308 1HG ARG 40 2HG ARG 40 -8.836 3.476 5.543 309 2HG ARG 40 1HG ARG 40 -7.689 4.724 6.045 310 1HD ARG 40 1HD ARG 40 -8.355 4.159 8.505 311 2HD ARG 40 2HD ARG 40 -9.281 2.784 7.855 312 1HH1 ARG 40 2HH2 ARG 40 -7.850 2.390 9.834 313 2HH1 ARG 40 1HH2 ARG 40 -6.387 1.381 10.336 314 1HH2 ARG 40 1HH1 ARG 40 -5.165 1.625 7.177 315 2HH2 ARG 40 2HH1 ARG 40 -4.912 0.954 8.884 316 H LYS 41 H LYS 41 -10.857 8.196 5.815 317 HA LYS 41 HA LYS 41 -13.902 7.764 5.547 318 1HB LYS 41 1HB LYS 41 -12.126 9.542 7.400 319 2HB LYS 41 2HB LYS 41 -13.763 9.962 7.107 320 1HG LYS 41 1HG LYS 41 -14.612 7.795 8.053 321 2HG LYS 41 2HG LYS 41 -12.967 7.201 8.203 322 1HD LYS 41 1HD LYS 41 -13.623 7.876 10.392 323 2HD LYS 41 2HD LYS 41 -12.422 9.044 9.854 324 1HE LYS 41 1HE LYS 41 -14.289 10.698 9.291 325 2HE LYS 41 2HE LYS 41 -15.499 9.504 9.778 326 1HZ LYS 41 1HZ LYS 41 -13.361 10.604 11.549 327 2HZ LYS 41 2HZ LYS 41 -14.451 9.480 12.011 328 H ASN 42 H ASN 42 -12.110 8.423 3.444 329 HA ASN 42 HA ASN 42 -13.903 10.436 2.016 330 1HB ASN 42 1HB ASN 42 -11.743 11.515 3.090 331 2HB ASN 42 2HB ASN 42 -10.796 10.546 2.028 332 1HD2 ASN 42 1HD2 ASN 42 -11.447 13.806 0.569 333 2HD2 ASN 42 2HD2 ASN 42 -11.825 13.472 2.323 334 H TYR 43 H TYR 43 -11.031 8.450 1.566 335 HA TYR 43 HA TYR 43 -12.137 6.887 -0.823 336 1HB TYR 43 1HB TYR 43 -9.956 7.780 -1.189 337 2HB TYR 43 2HB TYR 43 -9.413 7.195 0.356 338 HD1 TYR 43 HD2 TYR 43 -9.959 4.190 0.353 339 HD2 TYR 43 HD1 TYR 43 -8.481 6.857 -2.712 340 HE1 TYR 43 HE2 TYR 43 -8.544 2.465 -0.435 341 HE2 TYR 43 HE1 TYR 43 -7.028 5.046 -3.509 342 HH TYR 43 HH TYR 43 -7.181 1.825 -2.213 343 H ILE 44 H ILE 44 -13.749 6.014 0.963 344 HA ILE 44 HA ILE 44 -13.051 4.307 2.930 345 HB ILE 44 HB ILE 44 -15.391 3.751 1.195 346 1HG1 ILE 44 2HG1 ILE 44 -15.113 5.807 3.437 347 2HG1 ILE 44 1HG1 ILE 44 -15.415 6.168 1.762 348 1HG2 ILE 44 1HG2 ILE 44 -14.906 1.980 2.967 349 2HG2 ILE 44 2HG2 ILE 44 -14.986 3.235 4.221 350 3HG2 ILE 44 3HG2 ILE 44 -16.434 2.799 3.282 351 1HD1 ILE 44 2HD1 ILE 44 -17.698 5.043 1.866 352 2HD1 ILE 44 3HD1 ILE 44 -17.475 4.847 3.625 353 3HD1 ILE 44 1HD1 ILE 44 -17.526 6.471 2.914 354 H ARG 45 H ARG 45 -13.983 2.661 -0.078 355 HA ARG 45 HA ARG 45 -11.535 0.970 0.138 356 1HB ARG 45 2HB ARG 45 -14.335 -0.194 -0.204 357 2HB ARG 45 1HB ARG 45 -12.898 -1.152 -0.329 358 1HG ARG 45 1HG ARG 45 -12.410 -0.081 2.160 359 2HG ARG 45 2HG ARG 45 -14.154 -0.094 2.182 360 1HD ARG 45 1HD ARG 45 -12.234 -2.482 1.787 361 2HD ARG 45 2HD ARG 45 -13.235 -2.142 3.200 362 1HH1 ARG 45 2HH2 ARG 45 -12.940 -4.387 2.979 363 2HH1 ARG 45 1HH2 ARG 45 -13.907 -5.905 2.622 364 1HH2 ARG 45 1HH1 ARG 45 -15.993 -4.139 0.609 365 2HH2 ARG 45 2HH1 ARG 45 -15.562 -5.785 1.343 366 H ILE 46 H ILE 46 -11.935 -0.772 -1.717 367 HA ILE 46 HA ILE 46 -11.817 0.415 -4.438 368 HB ILE 46 HB ILE 46 -9.387 -0.129 -4.813 369 1HG1 ILE 46 1HG1 ILE 46 -8.903 0.890 -1.981 370 2HG1 ILE 46 2HG1 ILE 46 -9.247 -0.800 -2.153 371 1HG2 ILE 46 2HG2 ILE 46 -10.385 2.117 -5.121 372 2HG2 ILE 46 3HG2 ILE 46 -10.156 2.483 -3.399 373 3HG2 ILE 46 1HG2 ILE 46 -8.743 2.232 -4.450 374 1HD1 ILE 46 3HD1 ILE 46 -7.138 0.384 -4.019 375 2HD1 ILE 46 1HD1 ILE 46 -6.755 -0.134 -2.339 376 3HD1 ILE 46 2HD1 ILE 46 -7.444 -1.289 -3.484 377 H LEU 47 H LEU 47 -10.497 -1.266 -5.885 378 HA LEU 47 HA LEU 47 -12.246 -3.772 -5.524 379 1HB LEU 47 1HB LEU 47 -13.031 -2.166 -7.326 380 2HB LEU 47 2HB LEU 47 -11.479 -2.320 -8.122 381 HG LEU 47 HG LEU 47 -11.932 -4.768 -8.570 382 1HD1 LEU 47 1HD2 LEU 47 -14.753 -4.142 -7.424 383 2HD1 LEU 47 2HD2 LEU 47 -14.291 -5.627 -8.287 384 3HD1 LEU 47 3HD2 LEU 47 -13.583 -5.271 -6.706 385 1HD2 LEU 47 2HD1 LEU 47 -12.455 -3.018 -10.274 386 2HD2 LEU 47 3HD1 LEU 47 -13.619 -4.349 -10.355 387 3HD2 LEU 47 1HD1 LEU 47 -14.090 -2.809 -9.597 388 H THR 48 H THR 48 -11.381 -5.661 -6.513 389 HA THR 48 HA THR 48 -8.459 -6.141 -5.902 390 HB THR 48 HB THR 48 -10.749 -7.904 -6.634 391 HG1 THR 48 HG1 THR 48 -10.301 -6.965 -4.445 392 1HG2 THR 48 1HG2 THR 48 -7.842 -8.712 -6.219 393 2HG2 THR 48 2HG2 THR 48 -9.189 -9.861 -6.038 394 3HG2 THR 48 3HG2 THR 48 -8.854 -9.108 -7.617 395 H GLY 49 H GLY 49 -7.641 -4.736 -7.260 396 1HA GLY 49 1HA GLY 49 -6.043 -5.114 -9.343 397 2HA GLY 49 2HA GLY 49 -7.503 -5.334 -10.307 398 H ASP 50 H ASP 50 -7.183 -2.986 -7.748 399 HA ASP 50 HA ASP 50 -7.382 -0.675 -9.684 400 1HB ASP 50 1HB ASP 50 -8.038 -1.054 -6.794 401 2HB ASP 50 2HB ASP 50 -7.764 0.536 -7.387 402 HD1 ASP 50 HD2 ASP 50 -10.733 -0.583 -9.582 403 H LYS 51 H LYS 51 -6.059 1.053 -9.690 404 HA LYS 51 HA LYS 51 -3.330 0.883 -9.018 405 1HB LYS 51 1HB LYS 51 -4.783 3.381 -9.909 406 2HB LYS 51 2HB LYS 51 -3.076 3.007 -10.048 407 1HG LYS 51 2HG LYS 51 -5.401 1.650 -11.455 408 2HG LYS 51 1HG LYS 51 -4.092 2.621 -12.156 409 1HD LYS 51 1HD LYS 51 -2.692 0.516 -11.041 410 2HD LYS 51 2HD LYS 51 -4.180 -0.310 -11.360 411 1HE LYS 51 1HE LYS 51 -4.105 0.237 -13.789 412 2HE LYS 51 2HE LYS 51 -2.685 1.275 -13.567 413 1HZ LYS 51 1HZ LYS 51 -2.329 -1.197 -14.255 414 2HZ LYS 51 2HZ LYS 51 -2.552 -1.553 -12.667 415 H VAL 52 H VAL 52 -3.441 0.482 -7.035 416 HA VAL 52 HA VAL 52 -3.823 2.416 -4.767 417 HB VAL 52 HB VAL 52 -2.448 0.576 -3.426 418 1HG1 VAL 52 3HG2 VAL 52 -4.923 0.746 -3.324 419 2HG1 VAL 52 1HG2 VAL 52 -5.045 -0.309 -4.762 420 3HG1 VAL 52 2HG2 VAL 52 -4.370 -0.936 -3.236 421 1HG2 VAL 52 2HG1 VAL 52 -1.380 -0.677 -5.302 422 2HG2 VAL 52 3HG1 VAL 52 -2.364 -1.664 -4.178 423 3HG2 VAL 52 1HG1 VAL 52 -2.995 -1.263 -5.787 424 H THR 53 H THR 53 -2.145 2.954 -3.205 425 HA THR 53 HA THR 53 0.582 3.307 -4.323 426 HB THR 53 HB THR 53 -0.440 5.257 -2.217 427 HG1 THR 53 HG1 THR 53 -1.059 5.430 -4.555 428 1HG2 THR 53 3HG2 THR 53 2.316 5.073 -3.692 429 2HG2 THR 53 1HG2 THR 53 1.819 6.454 -2.753 430 3HG2 THR 53 2HG2 THR 53 2.085 4.885 -1.974 431 H VAL 54 H VAL 54 2.278 2.558 -2.954 432 HA VAL 54 HA VAL 54 1.509 1.463 -0.357 433 HB VAL 54 HB VAL 54 3.248 -0.429 -2.018 434 1HG1 VAL 54 3HG2 VAL 54 2.228 -1.002 0.182 435 2HG1 VAL 54 1HG2 VAL 54 0.596 -0.783 -0.500 436 3HG1 VAL 54 2HG2 VAL 54 1.634 -2.124 -1.058 437 1HG2 VAL 54 1HG1 VAL 54 1.452 0.152 -3.901 438 2HG2 VAL 54 2HG1 VAL 54 1.718 -1.532 -3.462 439 3HG2 VAL 54 3HG1 VAL 54 0.291 -0.629 -2.880 440 H GLU 55 H GLU 55 2.685 2.953 0.684 441 HA GLU 55 HA GLU 55 5.492 3.492 -0.208 442 1HB GLU 55 1HB GLU 55 3.963 5.174 1.143 443 2HB GLU 55 2HB GLU 55 4.412 4.209 2.545 444 1HG GLU 55 1HG GLU 55 6.857 4.774 2.198 445 2HG GLU 55 2HG GLU 55 6.431 5.713 0.781 446 HE1 GLU 55 HE2 GLU 55 5.915 7.244 4.377 447 H LEU 56 H LEU 56 7.318 2.752 0.806 448 HA LEU 56 HA LEU 56 7.092 0.213 2.534 449 1HB LEU 56 1HB LEU 56 9.267 0.927 0.425 450 2HB LEU 56 2HB LEU 56 9.340 -0.466 1.435 451 HG LEU 56 HG LEU 56 6.811 -0.798 0.511 452 1HD1 LEU 56 2HD2 LEU 56 7.193 1.085 -1.068 453 2HD1 LEU 56 3HD2 LEU 56 8.647 0.278 -1.702 454 3HD1 LEU 56 1HD2 LEU 56 7.009 -0.437 -1.972 455 1HD2 LEU 56 2HD1 LEU 56 9.404 -2.007 -0.704 456 2HD2 LEU 56 3HD1 LEU 56 8.492 -2.649 0.688 457 3HD2 LEU 56 1HD1 LEU 56 7.760 -2.664 -0.918 458 H THR 57 H THR 57 9.468 -0.076 2.907 459 HA THR 57 HA THR 57 10.506 2.042 4.830 460 HB THR 57 HB THR 57 11.293 -0.008 6.242 461 HG1 THR 57 HG1 THR 57 9.011 -1.031 5.020 462 1HG2 THR 57 1HG2 THR 57 10.017 1.761 7.263 463 2HG2 THR 57 2HG2 THR 57 8.485 1.050 6.653 464 3HG2 THR 57 3HG2 THR 57 9.483 0.171 7.860 465 HA PRO 58 HA PRO 58 14.836 0.943 3.535 466 1HB PRO 58 1HB PRO 58 14.967 1.038 6.500 467 2HB PRO 58 2HB PRO 58 16.212 1.472 5.356 468 1HG PRO 58 1HG PRO 58 14.702 3.459 6.201 469 2HG PRO 58 2HG PRO 58 14.779 3.321 4.440 470 1HD PRO 58 1HD PRO 58 12.473 2.410 6.275 471 2HD PRO 58 2HD PRO 58 12.379 3.143 4.723 472 H TYR 59 H TYR 59 13.501 -0.734 6.269 473 HA TYR 59 HA TYR 59 15.253 -3.211 5.931 474 1HB TYR 59 1HB TYR 59 14.540 -1.808 8.189 475 2HB TYR 59 2HB TYR 59 13.175 -2.806 8.171 476 HD1 TYR 59 HD2 TYR 59 16.882 -2.780 8.492 477 HD2 TYR 59 HD1 TYR 59 13.375 -5.263 8.676 478 HE1 TYR 59 HE2 TYR 59 18.187 -4.562 9.595 479 HE2 TYR 59 HE1 TYR 59 14.690 -7.027 9.776 480 HH TYR 59 HH TYR 59 16.694 -7.647 10.502 481 H ASP 60 H ASP 60 11.801 -2.584 6.043 482 HA ASP 60 HA ASP 60 11.181 -5.584 5.745 483 1HB ASP 60 1HB ASP 60 10.340 -4.267 7.759 484 2HB ASP 60 2HB ASP 60 9.314 -3.331 6.683 485 HD2 ASP 60 HD2 ASP 60 6.901 -5.578 7.433 486 H LEU 61 H LEU 61 11.991 -5.078 3.551 487 HA LEU 61 HA LEU 61 10.418 -3.831 1.572 488 1HB LEU 61 1HB LEU 61 12.196 -6.234 0.961 489 2HB LEU 61 2HB LEU 61 11.734 -4.931 -0.109 490 HG LEU 61 HG LEU 61 13.718 -4.848 2.232 491 1HD1 LEU 61 2HD2 LEU 61 14.502 -5.645 -0.018 492 2HD1 LEU 61 3HD2 LEU 61 13.968 -4.111 -0.756 493 3HD1 LEU 61 1HD2 LEU 61 15.286 -4.116 0.446 494 1HD2 LEU 61 2HD1 LEU 61 12.655 -2.345 0.746 495 2HD2 LEU 61 3HD1 LEU 61 12.484 -2.710 2.476 496 3HD2 LEU 61 1HD1 LEU 61 14.081 -2.391 1.819 497 H SER 62 H SER 62 9.592 -6.934 2.812 498 HA SER 62 HA SER 62 7.738 -7.661 0.536 499 1HB SER 62 1HB SER 62 8.895 -9.380 1.984 500 2HB SER 62 2HB SER 62 7.962 -8.830 3.382 501 HG SER 62 HG SER 62 6.057 -9.234 1.895 502 H LYS 63 H LYS 63 7.358 -5.171 2.827 503 HA LYS 63 HA LYS 63 4.331 -5.292 2.645 504 1HB LYS 63 1HB LYS 63 6.235 -4.551 4.969 505 2HB LYS 63 2HB LYS 63 4.564 -4.194 4.963 506 1HG LYS 63 1HG LYS 63 4.642 -6.986 4.303 507 2HG LYS 63 2HG LYS 63 5.887 -6.775 5.481 508 1HD LYS 63 1HD LYS 63 4.174 -5.654 7.056 509 2HD LYS 63 2HD LYS 63 2.941 -5.884 5.809 510 1HE LYS 63 1HE LYS 63 3.318 -8.425 5.934 511 2HE LYS 63 2HE LYS 63 4.499 -8.171 7.225 512 1HZ LYS 63 1HZ LYS 63 1.631 -7.342 7.306 513 2HZ LYS 63 2HZ LYS 63 2.702 -7.017 8.495 514 H GLY 64 H GLY 64 3.389 -3.273 3.264 515 1HA GLY 64 2HA GLY 64 4.637 -0.683 3.179 516 2HA GLY 64 1HA GLY 64 4.166 -0.960 1.502 517 H ARG 65 H ARG 65 2.974 1.068 1.967 518 HA ARG 65 HA ARG 65 0.130 0.365 2.480 519 1HB ARG 65 1HB ARG 65 -0.393 1.626 4.396 520 2HB ARG 65 2HB ARG 65 1.071 0.778 4.752 521 1HG ARG 65 1HG ARG 65 1.714 2.689 5.735 522 2HG ARG 65 2HG ARG 65 2.283 3.142 4.145 523 1HD ARG 65 1HD ARG 65 0.250 4.515 3.727 524 2HD ARG 65 2HD ARG 65 -0.598 3.841 5.092 525 1HH1 ARG 65 2HH2 ARG 65 -0.329 3.799 7.107 526 2HH1 ARG 65 1HH2 ARG 65 -0.027 4.825 8.614 527 1HH2 ARG 65 1HH1 ARG 65 1.876 6.943 6.774 528 2HH2 ARG 65 2HH1 ARG 65 1.165 6.547 8.436 529 H ILE 66 H ILE 66 -0.473 1.775 0.117 530 HA ILE 66 HA ILE 66 -0.710 3.594 -0.592 531 HB ILE 66 HB ILE 66 -3.460 3.236 0.685 532 1HG1 ILE 66 1HG1 ILE 66 -4.289 1.873 -1.084 533 2HG1 ILE 66 2HG1 ILE 66 -2.838 2.014 -2.006 534 1HG2 ILE 66 2HG2 ILE 66 -3.400 5.353 -0.591 535 2HG2 ILE 66 3HG2 ILE 66 -2.825 4.524 -2.039 536 3HG2 ILE 66 1HG2 ILE 66 -4.452 4.202 -1.400 537 1HD1 ILE 66 3HD1 ILE 66 -3.086 0.417 0.616 538 2HD1 ILE 66 1HD1 ILE 66 -3.084 -0.251 -1.054 539 3HD1 ILE 66 2HD1 ILE 66 -1.637 0.419 -0.381 540 H VAL 67 H VAL 67 0.560 5.042 0.314 541 HA VAL 67 HA VAL 67 -0.466 7.112 2.155 542 HB VAL 67 HB VAL 67 1.440 8.482 1.383 543 1HG1 VAL 67 3HG2 VAL 67 1.486 7.123 3.463 544 2HG1 VAL 67 1HG2 VAL 67 2.135 5.740 2.568 545 3HG1 VAL 67 2HG2 VAL 67 3.094 7.234 2.745 546 1HG2 VAL 67 2HG1 VAL 67 2.117 7.673 -0.826 547 2HG2 VAL 67 3HG1 VAL 67 3.444 7.470 0.317 548 3HG2 VAL 67 1HG1 VAL 67 2.475 6.062 -0.156 549 H PHE 68 H PHE 68 0.209 7.818 -1.312 550 HA PHE 68 HA PHE 68 -0.983 9.119 -2.879 551 1HB PHE 68 1HB PHE 68 -2.402 7.093 -2.588 552 2HB PHE 68 2HB PHE 68 -3.345 7.883 -1.360 553 HD1 PHE 68 HD2 PHE 68 -2.274 8.476 -4.969 554 HD2 PHE 68 HD1 PHE 68 -5.450 8.714 -2.072 555 HE1 PHE 68 HE2 PHE 68 -3.850 9.165 -6.732 556 HE2 PHE 68 HE1 PHE 68 -7.004 9.398 -3.840 557 HZ PHE 68 HZ PHE 68 -6.215 9.627 -6.172 558 H ARG 69 H ARG 69 -3.182 9.901 -0.193 559 HA ARG 69 HA ARG 69 -2.223 12.639 0.041 560 1HB ARG 69 1HB ARG 69 -4.280 13.914 -0.689 561 2HB ARG 69 2HB ARG 69 -3.257 13.278 -1.947 562 1HG ARG 69 1HG ARG 69 -5.611 13.173 -2.582 563 2HG ARG 69 2HG ARG 69 -4.882 11.585 -2.611 564 1HD ARG 69 1HD ARG 69 -6.009 10.899 -0.548 565 2HD ARG 69 2HD ARG 69 -6.542 12.554 -0.203 566 1HH1 ARG 69 2HH2 ARG 69 -7.821 10.156 0.089 567 2HH1 ARG 69 1HH2 ARG 69 -9.514 9.578 -0.384 568 1HH2 ARG 69 1HH1 ARG 69 -9.446 11.523 -3.135 569 2HH2 ARG 69 2HH1 ARG 69 -10.418 10.361 -2.079 570 H SER 70 H SER 70 -3.107 13.795 1.796 571 HA SER 70 HA SER 70 -3.983 12.066 3.998 572 1HB SER 70 1HB SER 70 -3.884 14.086 5.396 573 2HB SER 70 2HB SER 70 -2.458 13.946 4.375 574 HG SER 70 HG SER 70 -3.397 16.081 4.413 575 H ARG 71 H ARG 71 -5.881 14.637 2.446 576 HA ARG 71 HA ARG 71 -8.437 13.350 3.587 577 1HB ARG 71 2HB ARG 71 -7.782 15.682 4.427 578 2HB ARG 71 1HB ARG 71 -7.834 16.260 2.771 579 1HG ARG 71 1HG ARG 71 -9.862 16.962 3.560 580 2HG ARG 71 2HG ARG 71 -10.354 15.512 2.722 581 1HD ARG 71 1HD ARG 71 -9.875 15.675 5.800 582 2HD ARG 71 2HD ARG 71 -11.404 15.997 5.036 583 1HH1 ARG 71 2HH2 ARG 71 -8.757 14.028 6.154 584 2HH1 ARG 71 1HH2 ARG 71 -8.805 12.239 6.619 585 1HH2 ARG 71 1HH1 ARG 71 -11.756 11.814 5.099 586 2HH2 ARG 71 2HH1 ARG 71 -10.352 11.087 6.070 No H/Q in entry = 586 Start of MODEL 3 1 1H ALA 1 1H ALA 1 20.951 4.050 11.943 2 2H ALA 1 2H ALA 1 22.081 2.907 11.668 3 HA ALA 1 HA ALA 1 21.131 2.385 9.494 4 1HB ALA 1 2HB ALA 1 20.612 1.076 11.557 5 2HB ALA 1 3HB ALA 1 19.278 2.191 11.960 6 3HB ALA 1 1HB ALA 1 19.179 1.171 10.511 7 H LYS 2 H LYS 2 21.001 4.452 8.351 8 HA LYS 2 HA LYS 2 18.470 6.034 8.458 9 1HB LYS 2 1HB LYS 2 20.763 6.968 7.984 10 2HB LYS 2 2HB LYS 2 20.761 6.152 6.421 11 1HG LYS 2 1HG LYS 2 18.699 7.499 5.748 12 2HG LYS 2 2HG LYS 2 18.707 8.294 7.324 13 1HD LYS 2 1HD LYS 2 21.014 9.228 6.844 14 2HD LYS 2 2HD LYS 2 21.024 8.406 5.278 15 1HE LYS 2 1HE LYS 2 18.969 9.736 4.559 16 2HE LYS 2 2HE LYS 2 18.951 10.560 6.124 17 1HZ LYS 2 1HZ LYS 2 21.239 10.615 4.204 18 2HZ LYS 2 2HZ LYS 2 21.215 11.379 5.645 19 H GLU 3 H GLU 3 17.027 4.234 8.158 20 HA GLU 3 HA GLU 3 16.541 3.415 5.238 21 1HB GLU 3 1HB GLU 3 15.237 1.572 6.045 22 2HB GLU 3 2HB GLU 3 16.864 1.551 6.697 23 1HG GLU 3 1HG GLU 3 15.974 2.352 8.955 24 2HG GLU 3 2HG GLU 3 14.343 2.397 8.295 25 HE1 GLU 3 HE2 GLU 3 16.051 -1.068 9.269 26 H ASP 4 H ASP 4 15.958 5.832 5.193 27 HA ASP 4 HA ASP 4 13.375 6.735 6.006 28 1HB ASP 4 1HB ASP 4 13.772 8.583 4.485 29 2HB ASP 4 2HB ASP 4 15.206 8.217 5.398 30 HD1 ASP 4 HD2 ASP 4 17.084 7.411 2.629 31 H ASN 5 H ASN 5 11.403 6.198 5.460 32 HA ASN 5 HA ASN 5 10.705 4.281 3.560 33 1HB ASN 5 1HB ASN 5 8.906 6.399 4.905 34 2HB ASN 5 2HB ASN 5 8.258 5.082 3.972 35 1HD2 ASN 5 1HD2 ASN 5 8.382 2.955 6.796 36 2HD2 ASN 5 2HD2 ASN 5 7.743 3.290 5.098 37 H ILE 6 H ILE 6 10.456 4.167 1.403 38 HA ILE 6 HA ILE 6 10.046 6.612 -0.267 39 HB ILE 6 HB ILE 6 10.316 3.804 -1.443 40 1HG1 ILE 6 2HG1 ILE 6 12.702 5.150 -0.159 41 2HG1 ILE 6 1HG1 ILE 6 11.905 3.665 0.206 42 1HG2 ILE 6 2HG2 ILE 6 10.016 5.839 -2.979 43 2HG2 ILE 6 3HG2 ILE 6 11.532 6.526 -2.335 44 3HG2 ILE 6 1HG2 ILE 6 11.539 5.018 -3.275 45 1HD1 ILE 6 2HD1 ILE 6 12.520 2.611 -2.004 46 2HD1 ILE 6 3HD1 ILE 6 13.460 4.065 -2.421 47 3HD1 ILE 6 1HD1 ILE 6 13.944 3.056 -1.039 48 H GLU 7 H GLU 7 8.466 6.672 -1.750 49 HA GLU 7 HA GLU 7 6.094 4.834 -1.471 50 1HB GLU 7 1HB GLU 7 4.401 6.314 -2.266 51 2HB GLU 7 2HB GLU 7 5.088 6.696 -0.717 52 1HG GLU 7 2HG GLU 7 6.506 8.374 -1.956 53 2HG GLU 7 1HG GLU 7 5.667 7.932 -3.428 54 HE2 GLU 7 HE2 GLU 7 4.201 10.648 -0.948 55 H MET 8 H MET 8 5.361 3.808 -2.904 56 HA MET 8 HA MET 8 6.941 3.337 -5.473 57 1HB MET 8 1HB MET 8 8.757 3.454 -3.791 58 2HB MET 8 2HB MET 8 7.941 2.382 -2.674 59 1HG MET 8 1HG MET 8 8.379 0.461 -4.006 60 2HG MET 8 2HG MET 8 8.705 1.498 -5.412 61 1HE MET 8 2HE MET 8 10.887 -0.252 -5.568 62 2HE MET 8 1HE MET 8 12.185 -0.297 -4.337 63 3HE MET 8 3HE MET 8 10.571 -0.962 -3.950 64 H GLN 9 H GLN 9 4.665 3.025 -5.580 65 HA GLN 9 HA GLN 9 3.271 0.991 -4.165 66 1HB GLN 9 1HB GLN 9 1.318 1.977 -5.272 67 2HB GLN 9 2HB GLN 9 2.382 2.768 -4.286 68 1HG GLN 9 1HG GLN 9 1.361 4.231 -5.881 69 2HG GLN 9 2HG GLN 9 2.963 4.467 -5.204 70 1HE2 GLN 9 2HE2 GLN 9 2.851 3.518 -9.197 71 2HE2 GLN 9 1HE2 GLN 9 1.447 3.054 -8.107 72 H GLY 10 H GLY 10 1.254 0.592 -6.162 73 1HA GLY 10 1HA GLY 10 2.146 -1.953 -7.644 74 2HA GLY 10 2HA GLY 10 1.477 -2.240 -6.143 75 H THR 11 H THR 11 0.475 -3.667 -7.861 76 HA THR 11 HA THR 11 -2.239 -2.552 -8.865 77 HB THR 11 HB THR 11 -0.880 -5.314 -9.457 78 HG1 THR 11 HG1 THR 11 -0.543 -4.417 -11.534 79 1HG2 THR 11 3HG2 THR 11 -3.228 -3.866 -10.894 80 2HG2 THR 11 1HG2 THR 11 -2.521 -5.434 -11.356 81 3HG2 THR 11 2HG2 THR 11 -3.383 -5.277 -9.815 82 H VAL 12 H VAL 12 -3.916 -3.039 -7.481 83 HA VAL 12 HA VAL 12 -3.502 -4.466 -4.979 84 HB VAL 12 HB VAL 12 -6.176 -4.318 -6.489 85 1HG1 VAL 12 1HG2 VAL 12 -5.486 -5.161 -3.576 86 2HG1 VAL 12 2HG2 VAL 12 -7.132 -4.795 -4.102 87 3HG1 VAL 12 3HG2 VAL 12 -6.311 -6.145 -4.806 88 1HG2 VAL 12 1HG1 VAL 12 -5.457 -2.511 -4.142 89 2HG2 VAL 12 2HG1 VAL 12 -5.796 -1.998 -5.822 90 3HG2 VAL 12 3HG1 VAL 12 -7.050 -2.737 -4.851 91 H LEU 13 H LEU 13 -3.175 -6.924 -5.057 92 HA LEU 13 HA LEU 13 -4.704 -8.567 -7.159 93 1HB LEU 13 1HB LEU 13 -2.166 -9.322 -5.659 94 2HB LEU 13 2HB LEU 13 -3.127 -10.466 -6.571 95 HG LEU 13 HG LEU 13 -2.085 -7.854 -7.828 96 1HD1 LEU 13 3HD1 LEU 13 -0.735 -10.618 -7.850 97 2HD1 LEU 13 1HD1 LEU 13 -0.279 -9.218 -8.851 98 3HD1 LEU 13 2HD1 LEU 13 -0.136 -9.112 -7.082 99 1HD2 LEU 13 2HD2 LEU 13 -3.081 -10.484 -9.145 100 2HD2 LEU 13 3HD2 LEU 13 -3.922 -8.914 -9.174 101 3HD2 LEU 13 1HD2 LEU 13 -2.385 -9.096 -10.019 102 H GLU 14 H GLU 14 -4.473 -8.315 -3.641 103 HA GLU 14 HA GLU 14 -7.436 -9.096 -3.870 104 1HB GLU 14 1HB GLU 14 -6.211 -10.985 -2.951 105 2HB GLU 14 2HB GLU 14 -5.470 -9.974 -1.707 106 1HG GLU 14 1HG GLU 14 -7.067 -11.155 -0.612 107 2HG GLU 14 2HG GLU 14 -7.823 -9.623 -0.687 108 HE1 GLU 14 HE2 GLU 14 -10.316 -10.628 -2.925 109 H THR 15 H THR 15 -8.602 -8.352 -2.268 110 HA THR 15 HA THR 15 -8.064 -5.520 -0.927 111 HB THR 15 HB THR 15 -10.425 -4.890 -1.149 112 HG1 THR 15 HG1 THR 15 -11.142 -7.031 -1.851 113 1HG2 THR 15 2HG2 THR 15 -8.508 -4.088 -2.692 114 2HG2 THR 15 3HG2 THR 15 -9.168 -5.174 -3.914 115 3HG2 THR 15 1HG2 THR 15 -10.151 -3.814 -3.294 116 H LEU 16 H LEU 16 -7.720 -6.700 0.946 117 HA LEU 16 HA LEU 16 -8.970 -9.141 1.737 118 1HB LEU 16 1HB LEU 16 -7.172 -6.805 2.814 119 2HB LEU 16 2HB LEU 16 -7.742 -7.927 3.918 120 HG LEU 16 HG LEU 16 -5.705 -8.591 3.486 121 1HD1 LEU 16 2HD2 LEU 16 -7.168 -10.725 3.465 122 2HD1 LEU 16 3HD2 LEU 16 -7.268 -10.591 1.687 123 3HD1 LEU 16 1HD2 LEU 16 -5.716 -10.910 2.459 124 1HD2 LEU 16 3HD1 LEU 16 -5.234 -7.389 1.470 125 2HD2 LEU 16 1HD1 LEU 16 -4.644 -9.048 1.340 126 3HD2 LEU 16 2HD1 LEU 16 -6.138 -8.560 0.488 127 HA PRO 17 HA PRO 17 -12.738 -8.744 4.032 128 1HB PRO 17 2HB PRO 17 -12.034 -9.396 6.700 129 2HB PRO 17 1HB PRO 17 -12.358 -10.534 5.367 130 1HG PRO 17 2HG PRO 17 -9.804 -9.411 6.541 131 2HG PRO 17 1HG PRO 17 -10.224 -11.120 6.187 132 1HD PRO 17 2HD PRO 17 -8.887 -9.731 4.560 133 2HD PRO 17 1HD PRO 17 -10.193 -10.743 3.829 134 H ASN 18 H ASN 18 -10.485 -6.726 6.007 135 HA ASN 18 HA ASN 18 -12.717 -4.780 6.670 136 1HB ASN 18 1HB ASN 18 -9.808 -4.940 7.351 137 2HB ASN 18 2HB ASN 18 -10.776 -3.544 7.706 138 1HD2 ASN 18 1HD2 ASN 18 -10.771 -5.341 10.767 139 2HD2 ASN 18 2HD2 ASN 18 -9.633 -4.345 9.732 140 H THR 19 H THR 19 -9.730 -3.397 5.625 141 HA THR 19 HA THR 19 -10.380 -3.328 2.682 142 HB THR 19 HB THR 19 -10.656 -0.969 4.437 143 HG1 THR 19 HG1 THR 19 -12.396 -2.405 3.581 144 1HG2 THR 19 3HG2 THR 19 -10.390 -0.889 1.327 145 2HG2 THR 19 1HG2 THR 19 -10.861 0.495 2.327 146 3HG2 THR 19 2HG2 THR 19 -9.206 -0.137 2.427 147 H MET 20 H MET 20 -8.339 -4.658 3.531 148 HA MET 20 HA MET 20 -5.951 -3.018 2.849 149 1HB MET 20 1HB MET 20 -6.210 -5.742 4.332 150 2HB MET 20 2HB MET 20 -4.685 -4.957 4.000 151 1HG MET 20 1HG MET 20 -5.593 -2.878 5.174 152 2HG MET 20 2HG MET 20 -6.989 -3.736 5.590 153 1HE MET 20 1HE MET 20 -6.529 -6.483 6.685 154 2HE MET 20 3HE MET 20 -5.919 -6.241 8.347 155 3HE MET 20 2HE MET 20 -7.224 -5.193 7.720 156 H PHE 21 H PHE 21 -4.052 -4.242 1.794 157 HA PHE 21 HA PHE 21 -5.233 -5.042 -1.029 158 1HB PHE 21 1HB PHE 21 -2.955 -3.130 -0.579 159 2HB PHE 21 2HB PHE 21 -3.803 -3.705 -2.033 160 HD1 PHE 21 HD2 PHE 21 -6.100 -3.387 -2.313 161 HD2 PHE 21 HD1 PHE 21 -4.196 -1.788 0.924 162 HE1 PHE 21 HE2 PHE 21 -8.359 -2.368 -1.533 163 HE2 PHE 21 HE1 PHE 21 -6.539 -1.238 1.782 164 HZ PHE 21 HZ PHE 21 -8.382 -0.875 0.215 165 H ARG 22 H ARG 22 -4.350 -7.183 -1.334 166 HA ARG 22 HA ARG 22 -1.464 -7.867 -0.478 167 1HB ARG 22 2HB ARG 22 -3.550 -9.620 -0.486 168 2HB ARG 22 1HB ARG 22 -2.945 -9.839 -2.099 169 1HG ARG 22 1HG ARG 22 -0.576 -10.177 -1.130 170 2HG ARG 22 2HG ARG 22 -1.272 -10.088 0.485 171 1HD ARG 22 1HD ARG 22 -2.045 -12.159 -1.665 172 2HD ARG 22 2HD ARG 22 -0.859 -12.449 -0.412 173 1HH1 ARG 22 2HH2 ARG 22 -0.920 -12.108 1.714 174 2HH1 ARG 22 1HH2 ARG 22 -1.750 -12.688 3.256 175 1HH2 ARG 22 1HH1 ARG 22 -4.627 -13.135 1.521 176 2HH2 ARG 22 2HH1 ARG 22 -3.763 -13.274 3.152 177 H VAL 23 H VAL 23 -0.179 -6.658 -1.742 178 HA VAL 23 HA VAL 23 -1.167 -5.981 -4.559 179 HB VAL 23 HB VAL 23 1.014 -4.339 -3.233 180 1HG1 VAL 23 3HG2 VAL 23 0.183 -3.795 -5.559 181 2HG1 VAL 23 1HG2 VAL 23 -1.417 -3.445 -4.893 182 3HG1 VAL 23 2HG2 VAL 23 -0.040 -2.456 -4.422 183 1HG2 VAL 23 1HG1 VAL 23 -1.951 -4.113 -2.615 184 2HG2 VAL 23 2HG1 VAL 23 -0.674 -4.319 -1.402 185 3HG2 VAL 23 3HG1 VAL 23 -0.843 -2.763 -2.255 186 H GLU 24 H GLU 24 -0.010 -6.015 -6.255 187 HA GLU 24 HA GLU 24 2.769 -7.396 -6.324 188 1HB GLU 24 2HB GLU 24 0.611 -7.217 -8.359 189 2HB GLU 24 1HB GLU 24 1.915 -6.338 -9.004 190 1HG GLU 24 1HG GLU 24 3.570 -8.218 -8.618 191 2HG GLU 24 2HG GLU 24 2.256 -9.245 -8.062 192 HE2 GLU 24 HE2 GLU 24 2.871 -10.061 -11.445 193 H LEU 25 H LEU 25 4.605 -5.819 -5.933 194 HA LEU 25 HA LEU 25 3.890 -3.018 -6.388 195 1HB LEU 25 1HB LEU 25 5.081 -2.755 -4.619 196 2HB LEU 25 2HB LEU 25 5.330 -4.462 -4.492 197 HG LEU 25 HG LEU 25 7.230 -4.146 -5.870 198 1HD1 LEU 25 2HD1 LEU 25 7.024 -1.409 -5.958 199 2HD1 LEU 25 3HD1 LEU 25 7.043 -1.420 -4.207 200 3HD1 LEU 25 1HD1 LEU 25 8.508 -1.824 -5.100 201 1HD2 LEU 25 2HD2 LEU 25 7.194 -3.576 -2.832 202 2HD2 LEU 25 3HD2 LEU 25 7.508 -5.116 -3.670 203 3HD2 LEU 25 1HD2 LEU 25 8.719 -3.829 -3.676 204 H GLU 26 H GLU 26 5.637 -1.827 -7.098 205 HA GLU 26 HA GLU 26 6.338 -2.479 -10.014 206 1HB GLU 26 1HB GLU 26 7.063 -0.183 -10.351 207 2HB GLU 26 2HB GLU 26 5.412 -0.355 -9.821 208 1HG GLU 26 1HG GLU 26 6.272 0.332 -7.405 209 2HG GLU 26 2HG GLU 26 7.765 0.811 -8.205 210 HE2 GLU 26 HE2 GLU 26 5.937 3.773 -8.049 211 H ASN 27 H ASN 27 7.767 -3.129 -7.087 212 HA ASN 27 HA ASN 27 10.583 -3.495 -8.335 213 1HB ASN 27 1HB ASN 27 10.326 -2.686 -5.988 214 2HB ASN 27 2HB ASN 27 9.427 -4.173 -5.699 215 1HD2 ASN 27 1HD2 ASN 27 12.279 -4.976 -4.032 216 2HD2 ASN 27 2HD2 ASN 27 10.811 -3.905 -3.918 217 H GLY 28 H GLY 28 7.526 -5.205 -8.125 218 1HA GLY 28 1HA GLY 28 7.126 -7.241 -9.411 219 2HA GLY 28 2HA GLY 28 8.777 -7.714 -9.183 220 H HIS 29 H HIS 29 8.401 -7.117 -6.242 221 HA HIS 29 HA HIS 29 7.616 -9.883 -5.359 222 1HB HIS 29 1HB HIS 29 8.463 -7.382 -3.733 223 2HB HIS 29 2HB HIS 29 8.145 -8.939 -3.026 224 HD2 HIS 29 HD2 HIS 29 10.740 -7.294 -5.486 225 HE1 HIS 29 HE1 HIS 29 12.487 -10.729 -3.891 226 HE2 HIS 29 HE2 HIS 29 12.995 -8.696 -5.402 227 H VAL 30 H VAL 30 5.769 -10.519 -4.292 228 HA VAL 30 HA VAL 30 3.412 -8.665 -4.263 229 HB VAL 30 HB VAL 30 3.699 -11.662 -3.823 230 1HG1 VAL 30 1HG2 VAL 30 1.105 -10.037 -3.366 231 2HG1 VAL 30 2HG2 VAL 30 1.205 -11.815 -3.523 232 3HG1 VAL 30 3HG2 VAL 30 1.974 -11.005 -2.149 233 1HG2 VAL 30 2HG1 VAL 30 3.550 -10.683 -6.188 234 2HG2 VAL 30 3HG1 VAL 30 2.129 -11.690 -5.804 235 3HG2 VAL 30 1HG1 VAL 30 2.008 -9.911 -5.755 236 H VAL 31 H VAL 31 3.076 -7.435 -2.790 237 HA VAL 31 HA VAL 31 4.226 -7.796 0.049 238 HB VAL 31 HB VAL 31 4.131 -5.347 0.364 239 1HG1 VAL 31 3HG2 VAL 31 6.239 -6.476 -0.393 240 2HG1 VAL 31 1HG2 VAL 31 5.858 -6.043 -2.069 241 3HG1 VAL 31 2HG2 VAL 31 6.141 -4.769 -0.840 242 1HG2 VAL 31 2HG1 VAL 31 2.400 -4.641 -1.315 243 2HG2 VAL 31 3HG1 VAL 31 3.917 -3.732 -1.503 244 3HG2 VAL 31 1HG1 VAL 31 3.515 -5.043 -2.643 245 H THR 32 H THR 32 3.114 -7.172 1.819 246 HA THR 32 HA THR 32 0.035 -7.382 1.693 247 HB THR 32 HB THR 32 2.067 -7.745 3.985 248 HG1 THR 32 HG1 THR 32 1.492 -9.456 2.540 249 1HG2 THR 32 1HG2 THR 32 -1.002 -7.559 4.274 250 2HG2 THR 32 2HG2 THR 32 0.123 -8.185 5.523 251 3HG2 THR 32 3HG2 THR 32 0.197 -6.487 5.020 252 H ALA 33 H ALA 33 -0.892 -5.257 1.457 253 HA ALA 33 HA ALA 33 0.237 -3.126 3.323 254 1HB ALA 33 2HB ALA 33 0.707 -2.969 0.881 255 2HB ALA 33 3HB ALA 33 -1.037 -2.964 0.506 256 3HB ALA 33 1HB ALA 33 -0.318 -1.621 1.429 257 H HIS 34 H HIS 34 -0.953 -1.459 3.886 258 HA HIS 34 HA HIS 34 -3.956 -1.679 4.076 259 1HB HIS 34 1HB HIS 34 -3.611 -0.172 6.356 260 2HB HIS 34 2HB HIS 34 -4.096 -1.803 6.322 261 HD2 HIS 34 HD2 HIS 34 -0.667 0.123 6.426 262 HE1 HIS 34 HE1 HIS 34 -0.232 -3.216 8.894 263 HE2 HIS 34 HE2 HIS 34 1.059 -1.166 8.010 264 H ILE 35 H ILE 35 -4.864 0.382 4.082 265 HA ILE 35 HA ILE 35 -3.164 2.418 2.761 266 HB ILE 35 HB ILE 35 -5.087 3.410 2.290 267 1HG1 ILE 35 1HG1 ILE 35 -7.426 2.899 3.825 268 2HG1 ILE 35 2HG1 ILE 35 -6.168 2.977 5.019 269 1HG2 ILE 35 2HG2 ILE 35 -5.509 1.280 1.258 270 2HG2 ILE 35 3HG2 ILE 35 -6.521 0.789 2.649 271 3HG2 ILE 35 1HG2 ILE 35 -7.032 2.105 1.600 272 1HD1 ILE 35 1HD1 ILE 35 -5.439 5.242 3.646 273 2HD1 ILE 35 2HD1 ILE 35 -7.126 5.160 3.088 274 3HD1 ILE 35 3HD1 ILE 35 -6.729 5.291 4.823 275 H SER 36 H SER 36 -2.897 4.730 3.661 276 HA SER 36 HA SER 36 -2.067 4.733 6.495 277 1HB SER 36 1HB SER 36 -1.251 6.907 5.983 278 2HB SER 36 2HB SER 36 -0.914 5.915 4.588 279 HG SER 36 HG SER 36 -3.342 7.368 4.677 280 H GLY 37 H GLY 37 -3.762 4.351 7.750 281 1HA GLY 37 1HA GLY 37 -6.265 4.517 8.188 282 2HA GLY 37 2HA GLY 37 -5.358 5.288 9.452 283 H LYS 38 H LYS 38 -4.852 7.710 8.270 284 HA LYS 38 HA LYS 38 -7.199 9.301 8.888 285 1HB LYS 38 2HB LYS 38 -5.891 11.149 8.261 286 2HB LYS 38 1HB LYS 38 -4.974 10.088 9.314 287 1HG LYS 38 2HG LYS 38 -4.019 9.113 7.066 288 2HG LYS 38 1HG LYS 38 -4.832 10.475 6.316 289 1HD LYS 38 1HD LYS 38 -2.551 11.241 6.552 290 2HD LYS 38 2HD LYS 38 -3.422 12.052 7.832 291 1HE LYS 38 1HE LYS 38 -1.366 11.286 8.823 292 2HE LYS 38 2HE LYS 38 -2.605 10.220 9.482 293 1HZ LYS 38 1HZ LYS 38 -0.587 9.043 8.643 294 2HZ LYS 38 2HZ LYS 38 -0.893 9.559 7.120 295 H MET 39 H MET 39 -5.925 8.617 5.719 296 HA MET 39 HA MET 39 -8.223 9.947 4.374 297 1HB MET 39 1HB MET 39 -7.352 8.598 2.309 298 2HB MET 39 2HB MET 39 -6.596 10.086 2.816 299 1HG MET 39 2HG MET 39 -4.712 9.036 3.598 300 2HG MET 39 1HG MET 39 -5.439 7.440 3.545 301 1HE MET 39 2HE MET 39 -6.616 6.605 1.283 302 2HE MET 39 1HE MET 39 -5.649 6.567 -0.207 303 3HE MET 39 3HE MET 39 -5.008 5.835 1.295 304 H ARG 40 H ARG 40 -8.062 6.437 5.091 305 HA ARG 40 HA ARG 40 -10.131 5.316 4.000 306 1HB ARG 40 1HB ARG 40 -9.942 5.803 7.060 307 2HB ARG 40 2HB ARG 40 -11.034 4.682 6.328 308 1HG ARG 40 1HG ARG 40 -8.998 3.510 5.216 309 2HG ARG 40 2HG ARG 40 -7.996 4.473 6.306 310 1HD ARG 40 1HD ARG 40 -9.167 3.464 8.294 311 2HD ARG 40 2HD ARG 40 -10.137 2.448 7.235 312 1HH1 ARG 40 2HH2 ARG 40 -9.540 1.314 5.464 313 2HH1 ARG 40 1HH2 ARG 40 -8.518 -0.115 4.892 314 1HH2 ARG 40 1HH1 ARG 40 -6.233 0.535 7.295 315 2HH2 ARG 40 2HH1 ARG 40 -6.787 -0.569 5.907 316 H LYS 41 H LYS 41 -10.818 8.207 5.852 317 HA LYS 41 HA LYS 41 -13.815 8.088 5.133 318 1HB LYS 41 1HB LYS 41 -12.160 9.670 7.254 319 2HB LYS 41 2HB LYS 41 -13.779 10.083 6.881 320 1HG LYS 41 1HG LYS 41 -12.923 7.356 8.026 321 2HG LYS 41 2HG LYS 41 -13.548 8.701 8.966 322 1HD LYS 41 1HD LYS 41 -15.745 8.589 7.697 323 2HD LYS 41 2HD LYS 41 -15.131 7.217 6.765 324 1HE LYS 41 1HE LYS 41 -14.816 5.881 8.907 325 2HE LYS 41 2HE LYS 41 -15.441 7.242 9.851 326 1HZ LYS 41 1HZ LYS 41 -16.936 5.823 7.690 327 2HZ LYS 41 2HZ LYS 41 -17.515 7.098 8.525 328 H ASN 42 H ASN 42 -11.749 8.693 3.323 329 HA ASN 42 HA ASN 42 -13.044 11.030 1.859 330 1HB ASN 42 1HB ASN 42 -11.007 11.838 3.264 331 2HB ASN 42 2HB ASN 42 -9.995 10.716 2.391 332 1HD2 ASN 42 1HD2 ASN 42 -9.421 13.841 0.788 333 2HD2 ASN 42 2HD2 ASN 42 -9.258 13.170 2.485 334 H TYR 43 H TYR 43 -10.305 8.821 1.581 335 HA TYR 43 HA TYR 43 -11.216 7.502 -1.008 336 1HB TYR 43 2HB TYR 43 -8.887 8.235 -0.801 337 2HB TYR 43 1HB TYR 43 -8.759 7.373 0.692 338 HD1 TYR 43 HD2 TYR 43 -8.503 4.880 0.787 339 HD2 TYR 43 HD1 TYR 43 -8.746 6.961 -2.973 340 HE1 TYR 43 HE2 TYR 43 -7.482 2.970 -0.335 341 HE2 TYR 43 HE1 TYR 43 -7.685 5.039 -4.074 342 HH TYR 43 HH TYR 43 -6.848 2.973 -3.800 343 H ILE 44 H ILE 44 -13.183 6.749 0.462 344 HA ILE 44 HA ILE 44 -13.010 4.831 2.365 345 HB ILE 44 HB ILE 44 -15.196 4.784 0.366 346 1HG1 ILE 44 1HG1 ILE 44 -14.850 6.672 2.739 347 2HG1 ILE 44 2HG1 ILE 44 -14.872 7.148 1.066 348 1HG2 ILE 44 1HG2 ILE 44 -15.249 2.900 2.094 349 2HG2 ILE 44 2HG2 ILE 44 -15.234 4.109 3.392 350 3HG2 ILE 44 3HG2 ILE 44 -16.626 3.976 2.290 351 1HD1 ILE 44 3HD1 ILE 44 -17.308 6.437 0.831 352 2HD1 ILE 44 1HD1 ILE 44 -17.346 6.146 2.591 353 3HD1 ILE 44 2HD1 ILE 44 -17.027 7.776 1.969 354 H ARG 45 H ARG 45 -13.810 3.557 -0.846 355 HA ARG 45 HA ARG 45 -11.851 1.351 -0.385 356 1HB ARG 45 2HB ARG 45 -14.729 0.895 -1.266 357 2HB ARG 45 1HB ARG 45 -13.577 -0.382 -1.238 358 1HG ARG 45 1HG ARG 45 -13.197 -0.323 1.146 359 2HG ARG 45 2HG ARG 45 -14.232 1.060 1.368 360 1HD ARG 45 1HD ARG 45 -16.252 -0.184 0.570 361 2HD ARG 45 2HD ARG 45 -15.304 -1.598 0.153 362 1HH1 ARG 45 2HH2 ARG 45 -14.338 -3.032 1.121 363 2HH1 ARG 45 1HH2 ARG 45 -14.254 -4.140 2.596 364 1HH2 ARG 45 1HH1 ARG 45 -15.854 -1.827 4.455 365 2HH2 ARG 45 2HH1 ARG 45 -15.086 -3.514 4.374 366 H ILE 46 H ILE 46 -12.116 -0.186 -2.192 367 HA ILE 46 HA ILE 46 -11.597 0.702 -4.949 368 HB ILE 46 HB ILE 46 -9.216 0.254 -5.109 369 1HG1 ILE 46 1HG1 ILE 46 -8.661 1.334 -2.322 370 2HG1 ILE 46 2HG1 ILE 46 -9.284 -0.290 -2.302 371 1HG2 ILE 46 2HG2 ILE 46 -10.206 2.547 -5.380 372 2HG2 ILE 46 3HG2 ILE 46 -9.878 2.874 -3.665 373 3HG2 ILE 46 1HG2 ILE 46 -8.532 2.558 -4.780 374 1HD1 ILE 46 2HD1 ILE 46 -7.043 0.389 -4.270 375 2HD1 ILE 46 3HD1 ILE 46 -6.760 -0.087 -2.561 376 3HD1 ILE 46 1HD1 ILE 46 -7.630 -1.185 -3.657 377 H LEU 47 H LEU 47 -10.300 -1.100 -6.155 378 HA LEU 47 HA LEU 47 -12.017 -3.584 -5.534 379 1HB LEU 47 1HB LEU 47 -12.925 -2.067 -7.352 380 2HB LEU 47 2HB LEU 47 -11.440 -2.276 -8.258 381 HG LEU 47 HG LEU 47 -11.957 -4.718 -8.588 382 1HD1 LEU 47 3HD1 LEU 47 -14.648 -4.063 -7.175 383 2HD1 LEU 47 1HD1 LEU 47 -14.263 -5.576 -8.027 384 3HD1 LEU 47 2HD1 LEU 47 -13.403 -5.160 -6.538 385 1HD2 LEU 47 3HD2 LEU 47 -12.667 -3.020 -10.276 386 2HD2 LEU 47 1HD2 LEU 47 -13.830 -4.352 -10.192 387 3HD2 LEU 47 2HD2 LEU 47 -14.219 -2.790 -9.433 388 H THR 48 H THR 48 -11.284 -5.526 -6.633 389 HA THR 48 HA THR 48 -8.380 -6.111 -6.063 390 HB THR 48 HB THR 48 -10.666 -7.838 -6.880 391 HG1 THR 48 HG1 THR 48 -10.345 -6.891 -4.654 392 1HG2 THR 48 3HG2 THR 48 -7.800 -8.672 -6.194 393 2HG2 THR 48 1HG2 THR 48 -9.173 -9.802 -6.199 394 3HG2 THR 48 2HG2 THR 48 -8.652 -9.023 -7.711 395 H GLY 49 H GLY 49 -7.607 -4.674 -7.449 396 1HA GLY 49 1HA GLY 49 -5.932 -5.143 -9.475 397 2HA GLY 49 2HA GLY 49 -7.380 -5.351 -10.470 398 H ASP 50 H ASP 50 -7.061 -2.972 -7.933 399 HA ASP 50 HA ASP 50 -7.119 -0.679 -9.901 400 1HB ASP 50 1HB ASP 50 -7.812 -0.956 -7.003 401 2HB ASP 50 2HB ASP 50 -7.532 0.592 -7.704 402 HD1 ASP 50 HD2 ASP 50 -10.520 -0.682 -9.804 403 H LYS 51 H LYS 51 -5.643 0.926 -9.910 404 HA LYS 51 HA LYS 51 -2.991 0.583 -8.967 405 1HB LYS 51 1HB LYS 51 -4.108 3.089 -10.216 406 2HB LYS 51 2HB LYS 51 -2.437 2.560 -10.122 407 1HG LYS 51 2HG LYS 51 -4.720 1.280 -11.656 408 2HG LYS 51 1HG LYS 51 -3.263 2.040 -12.302 409 1HD LYS 51 2HD LYS 51 -2.265 -0.123 -10.802 410 2HD LYS 51 1HD LYS 51 -3.789 -0.764 -11.310 411 1HE LYS 51 1HE LYS 51 -3.194 -0.264 -13.759 412 2HE LYS 51 2HE LYS 51 -1.614 0.344 -13.223 413 1HZ LYS 51 1HZ LYS 51 -1.323 -1.909 -12.104 414 2HZ LYS 51 2HZ LYS 51 -1.312 -1.943 -13.744 415 H VAL 52 H VAL 52 -3.239 0.358 -6.996 416 HA VAL 52 HA VAL 52 -3.834 2.394 -4.875 417 HB VAL 52 HB VAL 52 -2.442 0.668 -3.364 418 1HG1 VAL 52 3HG2 VAL 52 -4.910 0.800 -3.345 419 2HG1 VAL 52 1HG2 VAL 52 -4.969 -0.295 -4.756 420 3HG1 VAL 52 2HG2 VAL 52 -4.362 -0.879 -3.188 421 1HG2 VAL 52 2HG1 VAL 52 -1.276 -0.686 -5.075 422 2HG2 VAL 52 3HG1 VAL 52 -2.304 -1.614 -3.954 423 3HG2 VAL 52 1HG1 VAL 52 -2.853 -1.334 -5.615 424 H THR 53 H THR 53 -2.240 2.987 -3.159 425 HA THR 53 HA THR 53 0.512 3.478 -4.201 426 HB THR 53 HB THR 53 -0.627 5.312 -2.070 427 HG1 THR 53 HG1 THR 53 -1.243 5.754 -4.247 428 1HG2 THR 53 3HG2 THR 53 2.197 5.175 -3.424 429 2HG2 THR 53 1HG2 THR 53 1.664 6.530 -2.466 430 3HG2 THR 53 2HG2 THR 53 1.900 4.936 -1.723 431 H VAL 54 H VAL 54 2.174 2.620 -2.861 432 HA VAL 54 HA VAL 54 1.412 1.491 -0.282 433 HB VAL 54 HB VAL 54 3.117 -0.403 -1.958 434 1HG1 VAL 54 3HG2 VAL 54 2.028 -1.013 0.213 435 2HG1 VAL 54 1HG2 VAL 54 0.427 -0.746 -0.509 436 3HG1 VAL 54 2HG2 VAL 54 1.458 -2.088 -1.074 437 1HG2 VAL 54 1HG1 VAL 54 1.290 0.286 -3.810 438 2HG2 VAL 54 2HG1 VAL 54 1.629 -1.410 -3.474 439 3HG2 VAL 54 3HG1 VAL 54 0.166 -0.601 -2.843 440 H GLU 55 H GLU 55 2.579 3.040 0.715 441 HA GLU 55 HA GLU 55 5.425 3.532 -0.053 442 1HB GLU 55 1HB GLU 55 3.822 5.195 1.293 443 2HB GLU 55 2HB GLU 55 4.273 4.214 2.674 444 1HG GLU 55 1HG GLU 55 6.723 4.795 2.293 445 2HG GLU 55 2HG GLU 55 6.250 5.847 0.981 446 HE2 GLU 55 HE2 GLU 55 5.357 8.424 2.968 447 H LEU 56 H LEU 56 7.233 2.694 1.065 448 HA LEU 56 HA LEU 56 6.960 0.651 3.259 449 1HB LEU 56 1HB LEU 56 7.607 -1.238 2.140 450 2HB LEU 56 2HB LEU 56 6.407 -0.573 1.074 451 HG LEU 56 HG LEU 56 9.404 -0.202 0.742 452 1HD1 LEU 56 2HD1 LEU 56 8.612 -2.668 0.524 453 2HD1 LEU 56 3HD1 LEU 56 7.530 -2.175 -0.781 454 3HD1 LEU 56 1HD1 LEU 56 9.296 -2.053 -0.997 455 1HD2 LEU 56 2HD2 LEU 56 7.162 0.428 -1.240 456 2HD2 LEU 56 3HD2 LEU 56 8.335 1.544 -0.497 457 3HD2 LEU 56 1HD2 LEU 56 8.902 0.354 -1.665 458 H THR 57 H THR 57 9.521 -0.443 3.062 459 HA THR 57 HA THR 57 11.154 1.948 3.916 460 HB THR 57 HB THR 57 12.495 0.105 5.173 461 HG1 THR 57 HG1 THR 57 10.655 -1.457 4.475 462 1HG2 THR 57 2HG2 THR 57 11.593 2.040 6.321 463 2HG2 THR 57 3HG2 THR 57 10.026 1.186 6.522 464 3HG2 THR 57 1HG2 THR 57 11.514 0.552 7.288 465 HA PRO 58 HA PRO 58 14.582 0.490 1.093 466 1HB PRO 58 1HB PRO 58 15.979 1.207 3.598 467 2HB PRO 58 2HB PRO 58 16.551 1.390 1.948 468 1HG PRO 58 1HG PRO 58 15.410 3.542 2.988 469 2HG PRO 58 2HG PRO 58 14.666 3.042 1.477 470 1HD PRO 58 1HD PRO 58 13.628 2.423 4.342 471 2HD PRO 58 2HD PRO 58 12.725 2.988 2.946 472 H TYR 59 H TYR 59 14.634 -0.433 4.406 473 HA TYR 59 HA TYR 59 16.348 -2.896 4.171 474 1HB TYR 59 1HB TYR 59 15.965 -1.097 6.193 475 2HB TYR 59 2HB TYR 59 14.663 -2.101 6.642 476 HD1 TYR 59 HD1 TYR 59 18.362 -1.942 6.268 477 HD2 TYR 59 HD2 TYR 59 15.072 -4.317 7.693 478 HE1 TYR 59 HE1 TYR 59 19.920 -3.332 7.571 479 HE2 TYR 59 HE2 TYR 59 16.647 -5.695 9.000 480 HH TYR 59 HH TYR 59 20.140 -5.105 8.901 481 H ASP 60 H ASP 60 12.944 -2.399 4.828 482 HA ASP 60 HA ASP 60 12.437 -5.448 4.890 483 1HB ASP 60 1HB ASP 60 12.147 -3.982 7.039 484 2HB ASP 60 2HB ASP 60 10.715 -3.318 6.284 485 HD2 ASP 60 HD2 ASP 60 10.355 -6.594 8.209 486 H LEU 61 H LEU 61 12.420 -5.133 2.593 487 HA LEU 61 HA LEU 61 10.274 -3.951 1.183 488 1HB LEU 61 1HB LEU 61 11.839 -6.393 0.129 489 2HB LEU 61 2HB LEU 61 11.028 -5.177 -0.806 490 HG LEU 61 HG LEU 61 13.184 -4.619 -1.191 491 1HD1 LEU 61 2HD1 LEU 61 11.984 -2.542 -0.285 492 2HD1 LEU 61 3HD1 LEU 61 12.745 -2.856 1.290 493 3HD1 LEU 61 1HD1 LEU 61 13.755 -2.479 -0.108 494 1HD2 LEU 61 3HD2 LEU 61 14.271 -6.207 0.419 495 2HD2 LEU 61 1HD2 LEU 61 15.086 -4.632 0.370 496 3HD2 LEU 61 2HD2 LEU 61 14.047 -5.036 1.739 497 H SER 62 H SER 62 9.724 -6.884 2.812 498 HA SER 62 HA SER 62 7.634 -7.926 0.928 499 1HB SER 62 1HB SER 62 8.975 -9.369 2.511 500 2HB SER 62 2HB SER 62 8.153 -8.622 3.888 501 HG SER 62 HG SER 62 6.140 -9.294 2.614 502 H LYS 63 H LYS 63 7.344 -5.165 2.892 503 HA LYS 63 HA LYS 63 4.306 -5.482 3.084 504 1HB LYS 63 1HB LYS 63 6.395 -4.534 5.102 505 2HB LYS 63 2HB LYS 63 4.791 -3.956 5.184 506 1HG LYS 63 1HG LYS 63 5.142 -6.972 4.980 507 2HG LYS 63 2HG LYS 63 5.525 -6.178 6.462 508 1HD LYS 63 2HD LYS 63 2.792 -5.856 5.098 509 2HD LYS 63 1HD LYS 63 3.134 -7.129 6.258 510 1HE LYS 63 1HE LYS 63 3.607 -5.435 8.063 511 2HE LYS 63 2HE LYS 63 3.353 -4.105 6.927 512 1HZ LYS 63 1HZ LYS 63 1.290 -6.166 7.543 513 2HZ LYS 63 2HZ LYS 63 1.083 -4.877 6.568 514 H GLY 64 H GLY 64 3.413 -3.215 3.695 515 1HA GLY 64 2HA GLY 64 4.576 -0.729 2.920 516 2HA GLY 64 1HA GLY 64 3.866 -1.293 1.422 517 H ARG 65 H ARG 65 2.968 0.954 1.980 518 HA ARG 65 HA ARG 65 0.103 0.451 2.698 519 1HB ARG 65 1HB ARG 65 0.039 2.177 4.511 520 2HB ARG 65 2HB ARG 65 1.194 0.911 4.849 521 1HG ARG 65 1HG ARG 65 3.082 2.321 4.729 522 2HG ARG 65 2HG ARG 65 2.318 3.475 3.673 523 1HD ARG 65 1HD ARG 65 2.484 4.597 5.751 524 2HD ARG 65 2HD ARG 65 0.784 4.250 5.580 525 1HH1 ARG 65 2HH2 ARG 65 -0.532 3.064 6.498 526 2HH1 ARG 65 1HH2 ARG 65 -1.069 2.246 8.060 527 1HH2 ARG 65 1HH1 ARG 65 2.154 2.022 9.056 528 2HH2 ARG 65 2HH1 ARG 65 0.378 1.682 9.455 529 H ILE 66 H ILE 66 -0.502 1.759 0.241 530 HA ILE 66 HA ILE 66 -0.864 3.555 -0.467 531 HB ILE 66 HB ILE 66 -3.550 3.053 0.881 532 1HG1 ILE 66 1HG1 ILE 66 -4.380 1.663 -0.848 533 2HG1 ILE 66 2HG1 ILE 66 -2.970 1.882 -1.830 534 1HG2 ILE 66 2HG2 ILE 66 -3.557 5.182 -0.412 535 2HG2 ILE 66 3HG2 ILE 66 -3.046 4.321 -1.865 536 3HG2 ILE 66 1HG2 ILE 66 -4.641 4.003 -1.139 537 1HD1 ILE 66 3HD1 ILE 66 -3.030 0.274 0.802 538 2HD1 ILE 66 1HD1 ILE 66 -3.083 -0.391 -0.873 539 3HD1 ILE 66 2HD1 ILE 66 -1.635 0.360 -0.287 540 H VAL 67 H VAL 67 0.365 5.047 0.427 541 HA VAL 67 HA VAL 67 -0.787 7.082 2.236 542 HB VAL 67 HB VAL 67 1.226 8.390 1.736 543 1HG1 VAL 67 3HG2 VAL 67 1.113 6.892 3.699 544 2HG1 VAL 67 1HG2 VAL 67 1.776 5.554 2.741 545 3HG1 VAL 67 2HG2 VAL 67 2.768 6.991 3.082 546 1HG2 VAL 67 2HG1 VAL 67 2.009 7.710 -0.499 547 2HG2 VAL 67 3HG1 VAL 67 3.265 7.417 0.702 548 3HG2 VAL 67 1HG1 VAL 67 2.302 6.059 0.089 549 H PHE 68 H PHE 68 0.033 7.641 -1.243 550 HA PHE 68 HA PHE 68 -0.733 9.250 -2.753 551 1HB PHE 68 1HB PHE 68 -3.372 8.781 -1.276 552 2HB PHE 68 2HB PHE 68 -3.281 9.927 -2.576 553 HD1 PHE 68 HD1 PHE 68 -1.945 8.960 -4.827 554 HD2 PHE 68 HD2 PHE 68 -4.322 6.739 -2.022 555 HE1 PHE 68 HE1 PHE 68 -2.469 7.302 -6.571 556 HE2 PHE 68 HE2 PHE 68 -4.835 5.087 -3.772 557 HZ PHE 68 HZ PHE 68 -3.911 5.370 -6.048 558 H ARG 69 H ARG 69 -1.874 10.453 0.408 559 HA ARG 69 HA ARG 69 -1.770 13.333 -0.466 560 1HB ARG 69 1HB ARG 69 -1.975 12.260 2.403 561 2HB ARG 69 2HB ARG 69 -2.446 13.838 1.834 562 1HG ARG 69 1HG ARG 69 -3.899 11.170 1.274 563 2HG ARG 69 2HG ARG 69 -4.396 12.413 2.393 564 1HD ARG 69 1HD ARG 69 -4.802 14.028 0.512 565 2HD ARG 69 2HD ARG 69 -4.265 12.850 -0.674 566 1HH1 ARG 69 2HH2 ARG 69 -4.794 10.885 -1.079 567 2HH1 ARG 69 1HH2 ARG 69 -6.191 9.771 -1.556 568 1HH2 ARG 69 1HH1 ARG 69 -8.315 11.672 0.268 569 2HH2 ARG 69 2HH1 ARG 69 -8.104 10.216 -0.843 570 H SER 70 H SER 70 0.548 12.746 -1.175 571 HA SER 70 HA SER 70 2.538 14.240 0.438 572 1HB SER 70 1HB SER 70 4.168 12.337 0.892 573 2HB SER 70 2HB SER 70 2.689 12.239 1.831 574 HG SER 70 HG SER 70 1.868 10.749 0.295 575 H ARG 71 H ARG 71 2.104 12.132 -2.366 576 HA ARG 71 HA ARG 71 4.703 12.470 -3.610 577 1HB ARG 71 2HB ARG 71 2.777 10.783 -4.132 578 2HB ARG 71 1HB ARG 71 1.971 12.078 -4.983 579 1HG ARG 71 1HG ARG 71 2.991 10.981 -6.736 580 2HG ARG 71 2HG ARG 71 4.217 12.197 -6.462 581 1HD ARG 71 1HD ARG 71 4.327 9.310 -5.317 582 2HD ARG 71 2HD ARG 71 5.039 9.807 -6.860 583 1HH1 ARG 71 2HH2 ARG 71 6.548 8.431 -6.084 584 2HH1 ARG 71 1HH2 ARG 71 8.264 8.379 -5.422 585 1HH2 ARG 71 1HH1 ARG 71 7.821 11.444 -4.030 586 2HH2 ARG 71 2HH1 ARG 71 8.982 10.037 -4.337 No H/Q in entry = 586 Start of MODEL 4 1 1H ALA 1 1H ALA 1 20.827 5.681 11.765 2 2H ALA 1 2H ALA 1 19.995 5.977 13.133 3 HA ALA 1 HA ALA 1 18.475 7.438 12.108 4 1HB ALA 1 2HB ALA 1 20.709 8.272 12.921 5 2HB ALA 1 3HB ALA 1 21.411 8.011 11.302 6 3HB ALA 1 1HB ALA 1 20.134 9.225 11.542 7 H LYS 2 H LYS 2 19.914 5.476 9.644 8 HA LYS 2 HA LYS 2 18.906 7.223 7.358 9 1HB LYS 2 1HB LYS 2 21.153 5.920 7.388 10 2HB LYS 2 2HB LYS 2 20.231 4.461 7.111 11 1HG LYS 2 1HG LYS 2 20.156 6.968 5.277 12 2HG LYS 2 2HG LYS 2 21.325 5.674 5.100 13 1HD LYS 2 1HD LYS 2 19.452 4.003 4.706 14 2HD LYS 2 2HD LYS 2 18.279 5.307 4.834 15 1HE LYS 2 1HE LYS 2 19.488 6.517 2.880 16 2HE LYS 2 2HE LYS 2 20.535 5.099 2.717 17 1HZ LYS 2 1HZ LYS 2 18.508 3.735 2.392 18 2HZ LYS 2 2HZ LYS 2 18.654 4.871 1.232 19 H GLU 3 H GLU 3 16.757 7.105 8.266 20 HA GLU 3 HA GLU 3 15.133 4.671 7.312 21 1HB GLU 3 1HB GLU 3 13.662 5.019 9.180 22 2HB GLU 3 2HB GLU 3 15.319 4.861 9.728 23 1HG GLU 3 1HG GLU 3 15.419 7.419 10.060 24 2HG GLU 3 2HG GLU 3 13.734 7.528 9.570 25 HE1 GLU 3 HE2 GLU 3 12.522 6.364 12.557 26 H ASP 4 H ASP 4 15.525 6.442 5.266 27 HA ASP 4 HA ASP 4 13.117 8.102 4.933 28 1HB ASP 4 1HB ASP 4 14.007 8.561 2.774 29 2HB ASP 4 2HB ASP 4 15.215 8.832 4.011 30 HD1 ASP 4 HD2 ASP 4 17.272 6.202 2.900 31 H ASN 5 H ASN 5 11.239 7.274 4.618 32 HA ASN 5 HA ASN 5 10.801 4.488 3.499 33 1HB ASN 5 1HB ASN 5 8.835 6.497 4.765 34 2HB ASN 5 2HB ASN 5 8.377 4.921 4.152 35 1HD2 ASN 5 1HD2 ASN 5 8.832 4.410 7.727 36 2HD2 ASN 5 2HD2 ASN 5 7.700 5.282 6.556 37 H ILE 6 H ILE 6 10.451 4.211 1.286 38 HA ILE 6 HA ILE 6 9.799 6.547 -0.441 39 HB ILE 6 HB ILE 6 10.124 3.714 -1.532 40 1HG1 ILE 6 1HG1 ILE 6 12.525 5.221 -0.463 41 2HG1 ILE 6 2HG1 ILE 6 11.822 3.721 0.023 42 1HG2 ILE 6 2HG2 ILE 6 9.648 5.675 -3.129 43 2HG2 ILE 6 3HG2 ILE 6 11.156 6.458 -2.590 44 3HG2 ILE 6 1HG2 ILE 6 11.192 4.919 -3.476 45 1HD1 ILE 6 2HD1 ILE 6 12.344 2.588 -2.166 46 2HD1 ILE 6 3HD1 ILE 6 13.179 4.063 -2.718 47 3HD1 ILE 6 1HD1 ILE 6 13.804 3.156 -1.323 48 H GLU 7 H GLU 7 8.171 6.529 -1.851 49 HA GLU 7 HA GLU 7 5.883 4.600 -1.512 50 1HB GLU 7 1HB GLU 7 4.090 6.084 -2.188 51 2HB GLU 7 2HB GLU 7 4.843 6.429 -0.658 52 1HG GLU 7 2HG GLU 7 6.136 8.179 -1.782 53 2HG GLU 7 1HG GLU 7 5.483 7.747 -3.348 54 HE1 GLU 7 HE2 GLU 7 2.451 9.395 -2.803 55 H MET 8 H MET 8 5.280 3.521 -2.832 56 HA MET 8 HA MET 8 6.779 3.613 -5.590 57 1HB MET 8 1HB MET 8 8.382 3.357 -3.700 58 2HB MET 8 2HB MET 8 7.473 2.033 -2.984 59 1HG MET 8 1HG MET 8 8.264 0.513 -4.495 60 2HG MET 8 2HG MET 8 8.523 1.741 -5.749 61 1HE MET 8 2HE MET 8 10.479 -0.696 -4.866 62 2HE MET 8 1HE MET 8 10.858 0.406 -6.222 63 3HE MET 8 3HE MET 8 12.078 0.101 -4.950 64 H GLN 9 H GLN 9 4.494 1.810 -3.801 65 HA GLN 9 HA GLN 9 4.412 -0.430 -5.333 66 1HB GLN 9 1HB GLN 9 3.215 0.504 -3.082 67 2HB GLN 9 2HB GLN 9 1.939 -0.243 -3.975 68 1HG GLN 9 1HG GLN 9 2.632 -1.969 -2.646 69 2HG GLN 9 2HG GLN 9 3.768 -2.327 -3.906 70 1HE2 GLN 9 2HE2 GLN 9 6.431 -1.323 -1.535 71 2HE2 GLN 9 1HE2 GLN 9 6.099 -1.658 -3.315 72 H GLY 10 H GLY 10 1.707 -1.097 -5.754 73 1HA GLY 10 2HA GLY 10 2.025 -0.764 -8.806 74 2HA GLY 10 1HA GLY 10 2.082 -2.325 -8.013 75 H THR 11 H THR 11 0.339 -3.562 -7.950 76 HA THR 11 HA THR 11 -2.368 -2.288 -8.647 77 HB THR 11 HB THR 11 -1.180 -4.819 -9.953 78 HG1 THR 11 HG1 THR 11 -0.493 -2.656 -10.647 79 1HG2 THR 11 3HG2 THR 11 -3.885 -3.386 -10.483 80 2HG2 THR 11 1HG2 THR 11 -3.225 -4.748 -11.419 81 3HG2 THR 11 2HG2 THR 11 -3.696 -4.991 -9.725 82 H VAL 12 H VAL 12 -3.957 -3.093 -7.429 83 HA VAL 12 HA VAL 12 -3.353 -4.481 -4.948 84 HB VAL 12 HB VAL 12 -6.103 -4.349 -6.333 85 1HG1 VAL 12 1HG2 VAL 12 -5.291 -5.225 -3.493 86 2HG1 VAL 12 2HG2 VAL 12 -6.952 -4.826 -3.973 87 3HG1 VAL 12 3HG2 VAL 12 -6.165 -6.167 -4.728 88 1HG2 VAL 12 1HG1 VAL 12 -5.090 -2.532 -4.083 89 2HG2 VAL 12 2HG1 VAL 12 -5.614 -2.038 -5.718 90 3HG2 VAL 12 3HG1 VAL 12 -6.775 -2.721 -4.600 91 H LEU 13 H LEU 13 -2.806 -6.958 -5.123 92 HA LEU 13 HA LEU 13 -4.224 -8.665 -7.216 93 1HB LEU 13 1HB LEU 13 -2.398 -9.776 -5.036 94 2HB LEU 13 2HB LEU 13 -3.125 -10.632 -6.366 95 HG LEU 13 HG LEU 13 -0.924 -8.507 -6.568 96 1HD1 LEU 13 2HD2 LEU 13 -0.196 -10.770 -5.743 97 2HD1 LEU 13 3HD2 LEU 13 -0.966 -11.558 -7.143 98 3HD1 LEU 13 1HD2 LEU 13 0.435 -10.505 -7.381 99 1HD2 LEU 13 2HD1 LEU 13 -2.316 -10.040 -8.878 100 2HD2 LEU 13 3HD1 LEU 13 -2.319 -8.277 -8.619 101 3HD2 LEU 13 1HD1 LEU 13 -0.813 -9.102 -9.044 102 H GLU 14 H GLU 14 -4.333 -8.277 -3.684 103 HA GLU 14 HA GLU 14 -7.326 -8.933 -3.936 104 1HB GLU 14 1HB GLU 14 -6.193 -10.936 -3.126 105 2HB GLU 14 2HB GLU 14 -5.377 -10.026 -1.848 106 1HG GLU 14 1HG GLU 14 -6.988 -11.153 -0.750 107 2HG GLU 14 2HG GLU 14 -7.708 -9.608 -0.773 108 HE1 GLU 14 HE2 GLU 14 -10.252 -10.460 -3.012 109 H THR 15 H THR 15 -8.444 -8.240 -2.283 110 HA THR 15 HA THR 15 -7.791 -5.520 -0.791 111 HB THR 15 HB THR 15 -10.103 -4.806 -0.866 112 HG1 THR 15 HG1 THR 15 -10.920 -6.902 -1.683 113 1HG2 THR 15 2HG2 THR 15 -8.183 -4.086 -2.486 114 2HG2 THR 15 3HG2 THR 15 -9.040 -4.978 -3.705 115 3HG2 THR 15 1HG2 THR 15 -9.825 -3.571 -2.893 116 H LEU 16 H LEU 16 -7.498 -6.759 0.999 117 HA LEU 16 HA LEU 16 -8.778 -9.230 1.715 118 1HB LEU 16 1HB LEU 16 -6.962 -6.974 2.903 119 2HB LEU 16 2HB LEU 16 -7.494 -8.145 3.935 120 HG LEU 16 HG LEU 16 -5.450 -8.783 3.387 121 1HD1 LEU 16 2HD2 LEU 16 -6.960 -10.893 3.372 122 2HD1 LEU 16 3HD2 LEU 16 -7.104 -10.718 1.601 123 3HD1 LEU 16 1HD2 LEU 16 -5.535 -11.078 2.322 124 1HD2 LEU 16 2HD1 LEU 16 -6.099 -8.515 0.444 125 2HD2 LEU 16 3HD1 LEU 16 -5.006 -7.537 1.440 126 3HD2 LEU 16 1HD1 LEU 16 -4.592 -9.207 1.064 127 HA PRO 17 HA PRO 17 -12.465 -8.810 4.115 128 1HB PRO 17 1HB PRO 17 -11.812 -9.547 6.764 129 2HB PRO 17 2HB PRO 17 -12.068 -10.649 5.388 130 1HG PRO 17 2HG PRO 17 -9.584 -9.517 6.686 131 2HG PRO 17 1HG PRO 17 -9.957 -11.221 6.267 132 1HD PRO 17 1HD PRO 17 -8.589 -9.738 4.745 133 2HD PRO 17 2HD PRO 17 -9.801 -10.781 3.928 134 H ASN 18 H ASN 18 -10.164 -6.780 5.977 135 HA ASN 18 HA ASN 18 -12.388 -4.804 6.678 136 1HB ASN 18 1HB ASN 18 -9.503 -5.060 7.431 137 2HB ASN 18 2HB ASN 18 -10.433 -3.629 7.743 138 1HD2 ASN 18 1HD2 ASN 18 -10.573 -5.378 10.829 139 2HD2 ASN 18 2HD2 ASN 18 -9.438 -4.337 9.832 140 H THR 19 H THR 19 -9.347 -3.587 5.691 141 HA THR 19 HA THR 19 -10.059 -3.258 2.773 142 HB THR 19 HB THR 19 -9.962 -1.006 4.688 143 HG1 THR 19 HG1 THR 19 -11.847 -1.413 2.615 144 1HG2 THR 19 2HG2 THR 19 -8.616 -0.293 2.560 145 2HG2 THR 19 3HG2 THR 19 -9.983 -0.810 1.564 146 3HG2 THR 19 1HG2 THR 19 -10.146 0.593 2.646 147 H MET 20 H MET 20 -8.050 -4.800 3.513 148 HA MET 20 HA MET 20 -5.622 -3.190 2.886 149 1HB MET 20 1HB MET 20 -5.690 -5.992 4.230 150 2HB MET 20 2HB MET 20 -4.271 -4.992 4.003 151 1HG MET 20 1HG MET 20 -5.363 -3.183 5.380 152 2HG MET 20 2HG MET 20 -6.727 -4.163 5.576 153 1HE MET 20 3HE MET 20 -6.623 -4.033 8.165 154 2HE MET 20 2HE MET 20 -5.232 -4.520 9.181 155 3HE MET 20 1HE MET 20 -5.123 -3.050 8.175 156 H PHE 21 H PHE 21 -3.772 -4.217 1.778 157 HA PHE 21 HA PHE 21 -4.934 -5.124 -0.984 158 1HB PHE 21 1HB PHE 21 -2.675 -3.181 -0.516 159 2HB PHE 21 2HB PHE 21 -3.529 -3.805 -1.968 160 HD1 PHE 21 HD2 PHE 21 -5.797 -3.457 -2.282 161 HD2 PHE 21 HD1 PHE 21 -3.892 -1.877 0.986 162 HE1 PHE 21 HE2 PHE 21 -8.063 -2.313 -1.479 163 HE2 PHE 21 HE1 PHE 21 -6.225 -1.255 1.876 164 HZ PHE 21 HZ PHE 21 -8.050 -0.864 0.248 165 H ARG 22 H ARG 22 -4.029 -7.292 -1.227 166 HA ARG 22 HA ARG 22 -1.115 -7.804 -0.385 167 1HB ARG 22 2HB ARG 22 -3.238 -9.727 -0.769 168 2HB ARG 22 1HB ARG 22 -1.942 -10.061 -1.878 169 1HG ARG 22 1HG ARG 22 -1.074 -11.211 -0.074 170 2HG ARG 22 2HG ARG 22 -0.313 -9.709 0.275 171 1HD ARG 22 1HD ARG 22 -2.298 -9.073 1.812 172 2HD ARG 22 2HD ARG 22 -2.979 -10.689 1.494 173 1HH1 ARG 22 2HH2 ARG 22 -3.431 -10.472 3.583 174 2HH1 ARG 22 1HH2 ARG 22 -2.992 -11.172 5.235 175 1HH2 ARG 22 1HH1 ARG 22 0.217 -11.586 4.233 176 2HH2 ARG 22 2HH1 ARG 22 -1.018 -11.759 5.595 177 H VAL 23 H VAL 23 0.016 -6.657 -1.598 178 HA VAL 23 HA VAL 23 -0.975 -5.909 -4.423 179 HB VAL 23 HB VAL 23 1.252 -4.328 -3.082 180 1HG1 VAL 23 3HG2 VAL 23 0.627 -3.705 -5.478 181 2HG1 VAL 23 1HG2 VAL 23 -1.039 -3.454 -4.934 182 3HG1 VAL 23 2HG2 VAL 23 0.268 -2.414 -4.317 183 1HG2 VAL 23 1HG1 VAL 23 -1.743 -3.938 -2.741 184 2HG2 VAL 23 2HG1 VAL 23 -0.634 -4.278 -1.391 185 3HG2 VAL 23 3HG1 VAL 23 -0.596 -2.703 -2.200 186 H GLU 24 H GLU 24 0.188 -5.902 -6.151 187 HA GLU 24 HA GLU 24 2.933 -7.360 -6.142 188 1HB GLU 24 1HB GLU 24 1.172 -8.442 -7.562 189 2HB GLU 24 2HB GLU 24 1.005 -6.980 -8.524 190 1HG GLU 24 1HG GLU 24 3.476 -7.221 -9.209 191 2HG GLU 24 2HG GLU 24 3.607 -8.668 -8.217 192 HE2 GLU 24 HE2 GLU 24 2.556 -9.077 -11.864 193 H LEU 25 H LEU 25 4.470 -5.678 -5.875 194 HA LEU 25 HA LEU 25 4.260 -3.040 -6.383 195 1HB LEU 25 1HB LEU 25 6.366 -5.223 -5.988 196 2HB LEU 25 2HB LEU 25 7.041 -4.072 -6.973 197 HG LEU 25 HG LEU 25 5.650 -3.338 -4.440 198 1HD1 LEU 25 3HD2 LEU 25 7.439 -4.913 -3.848 199 2HD1 LEU 25 1HD2 LEU 25 8.652 -3.985 -4.765 200 3HD1 LEU 25 2HD2 LEU 25 7.920 -3.298 -3.298 201 1HD2 LEU 25 3HD1 LEU 25 6.220 -1.337 -6.016 202 2HD2 LEU 25 1HD1 LEU 25 7.258 -1.270 -4.594 203 3HD2 LEU 25 2HD1 LEU 25 7.903 -1.893 -6.113 204 H GLU 26 H GLU 26 6.038 -1.955 -7.615 205 HA GLU 26 HA GLU 26 5.455 -2.069 -10.607 206 1HB GLU 26 1HB GLU 26 6.706 0.007 -10.878 207 2HB GLU 26 2HB GLU 26 5.543 0.177 -9.594 208 1HG GLU 26 1HG GLU 26 7.464 1.351 -8.829 209 2HG GLU 26 2HG GLU 26 7.439 -0.104 -7.868 210 HE1 GLU 26 HE2 GLU 26 10.316 0.377 -10.629 211 H ASN 27 H ASN 27 7.906 -3.383 -8.544 212 HA ASN 27 HA ASN 27 9.601 -4.190 -10.928 213 1HB ASN 27 2HB ASN 27 11.215 -4.736 -9.227 214 2HB ASN 27 1HB ASN 27 10.689 -3.097 -8.968 215 1HD2 ASN 27 1HD2 ASN 27 11.037 -4.451 -5.696 216 2HD2 ASN 27 2HD2 ASN 27 11.857 -3.500 -7.031 217 H GLY 28 H GLY 28 6.774 -5.325 -9.762 218 1HA GLY 28 1HA GLY 28 5.748 -7.459 -10.118 219 2HA GLY 28 2HA GLY 28 7.296 -8.120 -10.524 220 H HIS 29 H HIS 29 7.662 -6.833 -7.474 221 HA HIS 29 HA HIS 29 7.460 -9.547 -6.159 222 1HB HIS 29 1HB HIS 29 9.441 -8.180 -5.838 223 2HB HIS 29 2HB HIS 29 8.493 -6.824 -5.229 224 HD2 HIS 29 HD2 HIS 29 8.758 -6.494 -2.764 225 HE1 HIS 29 HE1 HIS 29 8.988 -10.438 -1.430 226 HE2 HIS 29 HE2 HIS 29 8.994 -7.999 -0.576 227 H VAL 30 H VAL 30 6.296 -10.036 -4.322 228 HA VAL 30 HA VAL 30 3.586 -8.656 -4.165 229 HB VAL 30 HB VAL 30 4.429 -11.544 -3.642 230 1HG1 VAL 30 1HG2 VAL 30 1.716 -10.317 -2.839 231 2HG1 VAL 30 2HG2 VAL 30 2.090 -12.068 -2.919 232 3HG1 VAL 30 3HG2 VAL 30 2.924 -11.037 -1.744 233 1HG2 VAL 30 2HG1 VAL 30 3.767 -10.870 -6.001 234 2HG2 VAL 30 3HG1 VAL 30 2.568 -11.986 -5.312 235 3HG2 VAL 30 1HG1 VAL 30 2.222 -10.237 -5.400 236 H VAL 31 H VAL 31 3.060 -7.585 -2.588 237 HA VAL 31 HA VAL 31 4.385 -7.839 0.186 238 HB VAL 31 HB VAL 31 4.276 -5.387 0.502 239 1HG1 VAL 31 3HG2 VAL 31 6.404 -6.416 -0.347 240 2HG1 VAL 31 1HG2 VAL 31 5.954 -5.955 -1.994 241 3HG1 VAL 31 2HG2 VAL 31 6.214 -4.704 -0.735 242 1HG2 VAL 31 2HG1 VAL 31 2.453 -4.784 -1.149 243 2HG2 VAL 31 3HG1 VAL 31 3.900 -3.778 -1.255 244 3HG2 VAL 31 1HG1 VAL 31 3.610 -5.041 -2.485 245 H THR 32 H THR 32 3.278 -7.227 2.012 246 HA THR 32 HA THR 32 0.203 -7.319 1.856 247 HB THR 32 HB THR 32 2.150 -7.694 4.225 248 HG1 THR 32 HG1 THR 32 0.344 -9.560 3.047 249 1HG2 THR 32 3HG2 THR 32 -0.939 -7.880 4.221 250 2HG2 THR 32 1HG2 THR 32 0.130 -8.457 5.541 251 3HG2 THR 32 2HG2 THR 32 0.057 -6.734 5.141 252 H ALA 33 H ALA 33 -0.620 -5.140 1.640 253 HA ALA 33 HA ALA 33 0.232 -3.225 3.911 254 1HB ALA 33 3HB ALA 33 -0.298 -2.790 0.893 255 2HB ALA 33 1HB ALA 33 0.158 -1.556 2.093 256 3HB ALA 33 2HB ALA 33 1.301 -2.842 1.703 257 H HIS 34 H HIS 34 -1.052 -1.652 4.689 258 HA HIS 34 HA HIS 34 -4.074 -1.779 4.095 259 1HB HIS 34 1HB HIS 34 -4.264 -0.114 6.126 260 2HB HIS 34 2HB HIS 34 -4.146 -1.794 6.408 261 HD2 HIS 34 HD2 HIS 34 -1.932 1.437 6.634 262 HE1 HIS 34 HE1 HIS 34 -0.284 -1.381 9.238 263 HE2 HIS 34 HE2 HIS 34 -0.045 1.075 8.494 264 H ILE 35 H ILE 35 -5.236 0.231 3.796 265 HA ILE 35 HA ILE 35 -3.641 2.426 2.574 266 HB ILE 35 HB ILE 35 -5.672 3.544 2.499 267 1HG1 ILE 35 1HG1 ILE 35 -7.787 1.660 3.430 268 2HG1 ILE 35 2HG1 ILE 35 -6.732 2.173 4.710 269 1HG2 ILE 35 2HG2 ILE 35 -5.389 1.622 0.715 270 2HG2 ILE 35 3HG2 ILE 35 -6.886 1.018 1.454 271 3HG2 ILE 35 1HG2 ILE 35 -6.858 2.613 0.739 272 1HD1 ILE 35 2HD1 ILE 35 -7.086 4.649 3.965 273 2HD1 ILE 35 3HD1 ILE 35 -8.332 4.051 2.846 274 3HD1 ILE 35 1HD1 ILE 35 -8.496 3.816 4.615 275 H SER 36 H SER 36 -4.187 4.829 3.528 276 HA SER 36 HA SER 36 -3.125 4.884 6.277 277 1HB SER 36 1HB SER 36 -2.661 7.148 5.759 278 2HB SER 36 2HB SER 36 -2.416 6.318 4.260 279 HG SER 36 HG SER 36 -3.691 8.120 3.821 280 H GLY 37 H GLY 37 -5.906 4.096 6.068 281 1HA GLY 37 1HA GLY 37 -8.021 4.260 7.284 282 2HA GLY 37 2HA GLY 37 -7.060 4.890 8.592 283 H LYS 38 H LYS 38 -6.611 7.437 7.032 284 HA LYS 38 HA LYS 38 -9.049 8.925 7.661 285 1HB LYS 38 1HB LYS 38 -7.826 10.836 7.256 286 2HB LYS 38 2HB LYS 38 -6.899 9.656 8.150 287 1HG LYS 38 2HG LYS 38 -5.661 8.987 6.216 288 2HG LYS 38 1HG LYS 38 -6.563 10.126 5.224 289 1HD LYS 38 1HD LYS 38 -5.645 12.080 6.467 290 2HD LYS 38 2HD LYS 38 -4.898 11.055 7.678 291 1HE LYS 38 1HE LYS 38 -4.060 11.083 4.695 292 2HE LYS 38 2HE LYS 38 -3.299 12.063 5.941 293 1HZ LYS 38 1HZ LYS 38 -3.474 9.095 6.052 294 2HZ LYS 38 2HZ LYS 38 -2.735 10.028 7.153 295 H MET 39 H MET 39 -7.506 8.352 4.728 296 HA MET 39 HA MET 39 -9.429 9.451 2.851 297 1HB MET 39 1HB MET 39 -8.423 7.248 1.403 298 2HB MET 39 2HB MET 39 -7.886 8.907 1.284 299 1HG MET 39 2HG MET 39 -6.159 8.351 2.969 300 2HG MET 39 1HG MET 39 -6.665 6.673 2.853 301 1HE MET 39 3HE MET 39 -6.935 5.437 0.598 302 2HE MET 39 2HE MET 39 -5.696 5.573 -0.678 303 3HE MET 39 1HE MET 39 -5.211 5.092 0.970 304 H ARG 40 H ARG 40 -9.522 6.068 3.894 305 HA ARG 40 HA ARG 40 -11.423 4.844 2.263 306 1HB ARG 40 1HB ARG 40 -12.187 3.718 4.358 307 2HB ARG 40 2HB ARG 40 -10.525 3.529 3.872 308 1HG ARG 40 2HG ARG 40 -9.962 5.152 5.756 309 2HG ARG 40 1HG ARG 40 -11.677 5.354 5.973 310 1HD ARG 40 1HD ARG 40 -10.126 2.705 6.482 311 2HD ARG 40 2HD ARG 40 -10.588 3.859 7.714 312 1HH1 ARG 40 2HH2 ARG 40 -11.037 1.324 5.428 313 2HH1 ARG 40 1HH2 ARG 40 -12.400 0.105 5.224 314 1HH2 ARG 40 1HH1 ARG 40 -14.357 1.996 7.267 315 2HH2 ARG 40 2HH1 ARG 40 -14.208 0.463 6.240 316 H LYS 41 H LYS 41 -12.144 6.672 4.768 317 HA LYS 41 HA LYS 41 -15.146 7.002 4.242 318 1HB LYS 41 1HB LYS 41 -13.271 7.715 6.636 319 2HB LYS 41 2HB LYS 41 -14.904 8.236 6.611 320 1HG LYS 41 1HG LYS 41 -15.753 5.861 6.484 321 2HG LYS 41 2HG LYS 41 -14.107 5.255 6.482 322 1HD LYS 41 1HD LYS 41 -15.348 6.918 8.775 323 2HD LYS 41 2HD LYS 41 -15.303 5.158 8.713 324 1HE LYS 41 1HE LYS 41 -12.747 5.208 8.645 325 2HE LYS 41 2HE LYS 41 -12.784 6.969 8.782 326 1HZ LYS 41 1HZ LYS 41 -13.933 5.050 10.749 327 2HZ LYS 41 2HZ LYS 41 -14.099 6.671 10.868 328 H ASN 42 H ASN 42 -12.973 8.566 3.023 329 HA ASN 42 HA ASN 42 -14.473 11.248 2.741 330 1HB ASN 42 1HB ASN 42 -12.095 11.658 3.517 331 2HB ASN 42 2HB ASN 42 -11.480 10.773 2.134 332 1HD2 ASN 42 1HD2 ASN 42 -11.273 14.212 1.185 333 2HD2 ASN 42 2HD2 ASN 42 -10.517 13.154 2.459 334 H TYR 43 H TYR 43 -12.260 9.285 0.733 335 HA TYR 43 HA TYR 43 -14.346 9.079 -1.435 336 1HB TYR 43 1HB TYR 43 -12.679 8.880 -2.883 337 2HB TYR 43 2HB TYR 43 -11.913 9.951 -1.813 338 HD1 TYR 43 HD1 TYR 43 -12.059 6.365 -2.944 339 HD2 TYR 43 HD2 TYR 43 -9.674 9.324 -0.914 340 HE1 TYR 43 HE1 TYR 43 -10.086 4.969 -3.218 341 HE2 TYR 43 HE2 TYR 43 -7.686 7.907 -1.225 342 HH TYR 43 HH TYR 43 -6.915 6.176 -2.644 343 H ILE 44 H ILE 44 -15.636 7.232 -0.606 344 HA ILE 44 HA ILE 44 -15.291 4.993 0.257 345 HB ILE 44 HB ILE 44 -16.949 5.289 -2.180 346 1HG1 ILE 44 1HG1 ILE 44 -17.687 5.823 0.765 347 2HG1 ILE 44 2HG1 ILE 44 -17.451 7.052 -0.445 348 1HG2 ILE 44 1HG2 ILE 44 -16.714 2.857 -1.501 349 2HG2 ILE 44 2HG2 ILE 44 -17.258 3.258 0.146 350 3HG2 ILE 44 3HG2 ILE 44 -18.367 3.409 -1.240 351 1HD1 ILE 44 2HD1 ILE 44 -19.421 6.206 -1.797 352 2HD1 ILE 44 3HD1 ILE 44 -19.784 5.050 -0.488 353 3HD1 ILE 44 1HD1 ILE 44 -19.845 6.795 -0.173 354 H ARG 45 H ARG 45 -13.603 4.220 0.013 355 HA ARG 45 HA ARG 45 -11.641 3.746 -1.516 356 1HB ARG 45 1HB ARG 45 -10.737 1.861 -0.162 357 2HB ARG 45 2HB ARG 45 -11.512 3.038 0.716 358 1HG ARG 45 1HG ARG 45 -12.193 0.986 1.760 359 2HG ARG 45 2HG ARG 45 -13.623 1.345 0.826 360 1HD ARG 45 1HD ARG 45 -13.094 -0.282 -0.891 361 2HD ARG 45 2HD ARG 45 -11.393 -0.374 -0.436 362 1HH1 ARG 45 2HH2 ARG 45 -12.188 -2.341 -1.352 363 2HH1 ARG 45 1HH2 ARG 45 -12.399 -4.104 -0.848 364 1HH2 ARG 45 1HH1 ARG 45 -13.056 -3.224 2.352 365 2HH2 ARG 45 2HH1 ARG 45 -12.820 -4.564 1.124 366 H ILE 46 H ILE 46 -10.469 1.838 -1.859 367 HA ILE 46 HA ILE 46 -10.927 1.141 -4.793 368 HB ILE 46 HB ILE 46 -8.666 0.497 -4.919 369 1HG1 ILE 46 1HG1 ILE 46 -7.687 1.674 -2.305 370 2HG1 ILE 46 2HG1 ILE 46 -8.652 0.237 -2.030 371 1HG2 ILE 46 2HG2 ILE 46 -9.266 2.884 -5.312 372 2HG2 ILE 46 3HG2 ILE 46 -8.816 3.251 -3.624 373 3HG2 ILE 46 1HG2 ILE 46 -7.584 2.654 -4.749 374 1HD1 ILE 46 3HD1 ILE 46 -6.523 0.222 -4.235 375 2HD1 ILE 46 1HD1 ILE 46 -6.153 -0.171 -2.520 376 3HD1 ILE 46 2HD1 ILE 46 -7.354 -1.122 -3.444 377 H LEU 47 H LEU 47 -10.066 -0.940 -5.694 378 HA LEU 47 HA LEU 47 -11.548 -3.220 -4.340 379 1HB LEU 47 1HB LEU 47 -13.140 -1.821 -5.769 380 2HB LEU 47 2HB LEU 47 -12.179 -2.212 -7.179 381 HG LEU 47 HG LEU 47 -12.825 -4.634 -6.972 382 1HD1 LEU 47 1HD2 LEU 47 -14.536 -3.695 -4.553 383 2HD1 LEU 47 2HD2 LEU 47 -14.653 -5.290 -5.331 384 3HD1 LEU 47 3HD2 LEU 47 -13.176 -4.836 -4.468 385 1HD2 LEU 47 2HD1 LEU 47 -14.217 -3.076 -8.328 386 2HD2 LEU 47 3HD1 LEU 47 -15.220 -4.332 -7.580 387 3HD2 LEU 47 1HD1 LEU 47 -15.214 -2.684 -6.907 388 H THR 48 H THR 48 -11.366 -5.202 -5.921 389 HA THR 48 HA THR 48 -8.464 -5.914 -5.829 390 HB THR 48 HB THR 48 -10.841 -7.545 -6.554 391 HG1 THR 48 HG1 THR 48 -10.283 -6.731 -4.305 392 1HG2 THR 48 3HG2 THR 48 -7.914 -8.413 -6.183 393 2HG2 THR 48 1HG2 THR 48 -9.277 -9.552 -6.118 394 3HG2 THR 48 2HG2 THR 48 -8.909 -8.682 -7.626 395 H GLY 49 H GLY 49 -7.446 -4.809 -7.177 396 1HA GLY 49 1HA GLY 49 -6.102 -5.148 -9.317 397 2HA GLY 49 2HA GLY 49 -7.601 -5.322 -10.239 398 H ASP 50 H ASP 50 -7.173 -2.941 -7.746 399 HA ASP 50 HA ASP 50 -7.177 -0.673 -9.739 400 1HB ASP 50 1HB ASP 50 -7.845 -0.900 -6.837 401 2HB ASP 50 2HB ASP 50 -7.419 0.646 -7.493 402 HD1 ASP 50 HD2 ASP 50 -10.208 0.990 -9.480 403 H LYS 51 H LYS 51 -5.687 0.893 -9.832 404 HA LYS 51 HA LYS 51 -2.982 0.334 -9.190 405 1HB LYS 51 1HB LYS 51 -3.964 2.959 -10.302 406 2HB LYS 51 2HB LYS 51 -2.372 2.231 -10.421 407 1HG LYS 51 2HG LYS 51 -4.965 1.308 -11.666 408 2HG LYS 51 1HG LYS 51 -3.495 1.855 -12.473 409 1HD LYS 51 1HD LYS 51 -2.606 -0.447 -11.204 410 2HD LYS 51 2HD LYS 51 -4.284 -0.860 -11.369 411 1HE LYS 51 1HE LYS 51 -4.141 -0.364 -13.909 412 2HE LYS 51 2HE LYS 51 -2.402 -0.095 -13.710 413 1HZ LYS 51 1HZ LYS 51 -3.877 -2.608 -13.064 414 2HZ LYS 51 2HZ LYS 51 -2.317 -2.385 -12.683 415 H VAL 52 H VAL 52 -2.617 0.236 -7.391 416 HA VAL 52 HA VAL 52 -2.769 2.433 -5.253 417 HB VAL 52 HB VAL 52 -1.988 0.677 -3.641 418 1HG1 VAL 52 3HG2 VAL 52 -4.451 1.035 -3.863 419 2HG1 VAL 52 1HG2 VAL 52 -4.501 -0.231 -5.122 420 3HG1 VAL 52 2HG2 VAL 52 -4.058 -0.654 -3.456 421 1HG2 VAL 52 2HG1 VAL 52 -0.952 -0.972 -5.304 422 2HG2 VAL 52 3HG1 VAL 52 -2.059 -1.687 -4.072 423 3HG2 VAL 52 1HG1 VAL 52 -2.595 -1.468 -5.750 424 H THR 53 H THR 53 -0.941 3.023 -4.084 425 HA THR 53 HA THR 53 1.855 2.403 -5.063 426 HB THR 53 HB THR 53 0.908 5.392 -5.140 427 HG1 THR 53 HG1 THR 53 1.370 3.462 -7.165 428 1HG2 THR 53 3HG2 THR 53 3.589 4.098 -6.012 429 2HG2 THR 53 1HG2 THR 53 3.143 5.808 -6.182 430 3HG2 THR 53 2HG2 THR 53 3.358 5.117 -4.563 431 H VAL 54 H VAL 54 2.400 1.832 -3.301 432 HA VAL 54 HA VAL 54 1.227 2.683 -0.613 433 HB VAL 54 HB VAL 54 2.294 0.005 -1.491 434 1HG1 VAL 54 3HG2 VAL 54 2.043 -0.370 0.612 435 2HG1 VAL 54 1HG2 VAL 54 0.302 0.015 0.611 436 3HG1 VAL 54 2HG2 VAL 54 0.935 -1.343 -0.301 437 1HG2 VAL 54 2HG1 VAL 54 0.253 0.761 -3.120 438 2HG2 VAL 54 3HG1 VAL 54 0.461 -0.877 -2.558 439 3HG2 VAL 54 1HG1 VAL 54 -0.701 0.181 -1.770 440 H GLU 55 H GLU 55 2.614 3.134 1.067 441 HA GLU 55 HA GLU 55 5.422 3.620 0.155 442 1HB GLU 55 1HB GLU 55 3.866 5.298 1.602 443 2HB GLU 55 2HB GLU 55 4.393 4.271 2.935 444 1HG GLU 55 1HG GLU 55 6.821 4.840 2.408 445 2HG GLU 55 2HG GLU 55 6.272 5.907 1.130 446 HE1 GLU 55 HE2 GLU 55 5.403 8.460 3.174 447 H LEU 56 H LEU 56 7.204 2.721 1.156 448 HA LEU 56 HA LEU 56 6.880 0.475 3.153 449 1HB LEU 56 1HB LEU 56 7.810 -1.223 1.996 450 2HB LEU 56 2HB LEU 56 6.718 -0.566 0.821 451 HG LEU 56 HG LEU 56 9.695 0.118 0.943 452 1HD1 LEU 56 2HD1 LEU 56 9.367 -2.381 0.604 453 2HD1 LEU 56 3HD1 LEU 56 8.340 -2.075 -0.804 454 3HD1 LEU 56 1HD1 LEU 56 10.070 -1.642 -0.844 455 1HD2 LEU 56 2HD2 LEU 56 7.646 0.556 -1.274 456 2HD2 LEU 56 3HD2 LEU 56 8.629 1.752 -0.399 457 3HD2 LEU 56 1HD2 LEU 56 9.417 0.661 -1.541 458 H THR 57 H THR 57 9.555 -0.317 3.215 459 HA THR 57 HA THR 57 10.769 2.114 4.523 460 HB THR 57 HB THR 57 11.888 0.270 6.009 461 HG1 THR 57 HG1 THR 57 9.472 -0.991 5.344 462 1HG2 THR 57 2HG2 THR 57 9.093 1.213 6.675 463 2HG2 THR 57 3HG2 THR 57 10.239 0.410 7.807 464 3HG2 THR 57 1HG2 THR 57 10.664 1.974 7.089 465 HA PRO 58 HA PRO 58 14.878 0.956 2.640 466 1HB PRO 58 1HB PRO 58 15.450 1.231 5.537 467 2HB PRO 58 2HB PRO 58 16.525 1.578 4.196 468 1HG PRO 58 1HG PRO 58 15.155 3.655 5.108 469 2HG PRO 58 2HG PRO 58 14.927 3.395 3.382 470 1HD PRO 58 1HD PRO 58 12.988 2.585 5.646 471 2HD PRO 58 2HD PRO 58 12.603 3.249 4.094 472 H TYR 59 H TYR 59 13.985 -0.546 5.653 473 HA TYR 59 HA TYR 59 15.678 -3.041 5.209 474 1HB TYR 59 1HB TYR 59 15.265 -1.502 7.457 475 2HB TYR 59 2HB TYR 59 13.930 -2.513 7.693 476 HD1 TYR 59 HD2 TYR 59 14.262 -4.980 8.221 477 HD2 TYR 59 HD1 TYR 59 17.628 -2.387 7.558 478 HE1 TYR 59 HE2 TYR 59 15.766 -6.675 9.181 479 HE2 TYR 59 HE1 TYR 59 19.121 -4.097 8.528 480 HH TYR 59 HH TYR 59 17.880 -7.237 9.591 481 H ASP 60 H ASP 60 12.270 -2.432 5.763 482 HA ASP 60 HA ASP 60 11.644 -5.450 5.790 483 1HB ASP 60 1HB ASP 60 11.065 -3.971 7.782 484 2HB ASP 60 2HB ASP 60 9.889 -3.136 6.783 485 HD2 ASP 60 HD2 ASP 60 7.858 -5.329 8.487 486 H LEU 61 H LEU 61 12.145 -5.167 3.512 487 HA LEU 61 HA LEU 61 10.383 -4.004 1.646 488 1HB LEU 61 1HB LEU 61 12.140 -6.414 1.000 489 2HB LEU 61 2HB LEU 61 11.529 -5.207 -0.111 490 HG LEU 61 HG LEU 61 13.708 -4.847 2.026 491 1HD1 LEU 61 2HD2 LEU 61 14.349 -5.865 -0.176 492 2HD1 LEU 61 3HD2 LEU 61 13.681 -4.452 -1.037 493 3HD1 LEU 61 1HD2 LEU 61 15.091 -4.261 0.040 494 1HD2 LEU 61 2HD1 LEU 61 12.430 -2.567 0.359 495 2HD2 LEU 61 3HD1 LEU 61 12.388 -2.742 2.127 496 3HD2 LEU 61 1HD1 LEU 61 13.924 -2.441 1.326 497 H SER 62 H SER 62 9.585 -7.028 3.077 498 HA SER 62 HA SER 62 7.638 -7.820 0.883 499 1HB SER 62 1HB SER 62 8.879 -9.505 2.322 500 2HB SER 62 2HB SER 62 7.965 -8.948 3.730 501 HG SER 62 HG SER 62 6.034 -9.395 2.304 502 H LYS 63 H LYS 63 7.340 -5.262 3.015 503 HA LYS 63 HA LYS 63 4.299 -5.469 3.122 504 1HB LYS 63 1HB LYS 63 6.435 -4.466 5.139 505 2HB LYS 63 2HB LYS 63 4.735 -4.230 5.309 506 1HG LYS 63 1HG LYS 63 4.818 -7.002 4.845 507 2HG LYS 63 2HG LYS 63 6.311 -6.747 5.691 508 1HD LYS 63 2HD LYS 63 3.578 -5.714 6.631 509 2HD LYS 63 1HD LYS 63 4.146 -7.303 7.099 510 1HE LYS 63 1HE LYS 63 5.712 -4.703 7.782 511 2HE LYS 63 2HE LYS 63 4.530 -5.433 8.869 512 1HZ LYS 63 1HZ LYS 63 6.784 -7.013 7.762 513 2HZ LYS 63 2HZ LYS 63 5.813 -7.432 8.979 514 H GLY 64 H GLY 64 3.360 -3.378 3.817 515 1HA GLY 64 1HA GLY 64 4.511 -0.777 2.999 516 2HA GLY 64 2HA GLY 64 3.581 -1.383 1.684 517 H ARG 65 H ARG 65 2.927 1.031 2.575 518 HA ARG 65 HA ARG 65 0.067 0.370 3.187 519 1HB ARG 65 1HB ARG 65 -0.206 1.400 5.151 520 2HB ARG 65 2HB ARG 65 1.477 1.083 5.322 521 1HG ARG 65 2HG ARG 65 1.413 3.181 6.189 522 2HG ARG 65 1HG ARG 65 1.858 3.598 4.554 523 1HD ARG 65 1HD ARG 65 -0.503 4.265 4.027 524 2HD ARG 65 2HD ARG 65 -1.097 3.630 5.540 525 1HH1 ARG 65 2HH2 ARG 65 -0.866 4.070 7.491 526 2HH1 ARG 65 1HH2 ARG 65 -0.790 5.398 8.772 527 1HH2 ARG 65 1HH1 ARG 65 0.597 7.500 6.505 528 2HH2 ARG 65 2HH1 ARG 65 0.013 7.262 8.244 529 H ILE 66 H ILE 66 -0.627 1.289 0.893 530 HA ILE 66 HA ILE 66 -0.617 3.332 -0.341 531 HB ILE 66 HB ILE 66 -3.463 2.980 0.602 532 1HG1 ILE 66 1HG1 ILE 66 -3.797 1.682 -1.515 533 2HG1 ILE 66 2HG1 ILE 66 -2.072 1.760 -1.829 534 1HG2 ILE 66 3HG2 ILE 66 -2.356 4.252 -1.994 535 2HG2 ILE 66 1HG2 ILE 66 -4.081 3.923 -1.653 536 3HG2 ILE 66 2HG2 ILE 66 -3.199 5.084 -0.676 537 1HD1 ILE 66 3HD1 ILE 66 -3.366 0.431 0.654 538 2HD1 ILE 66 1HD1 ILE 66 -2.922 -0.429 -0.876 539 3HD1 ILE 66 2HD1 ILE 66 -1.696 0.222 0.170 540 H VAL 67 H VAL 67 0.246 5.160 0.112 541 HA VAL 67 HA VAL 67 -0.897 7.142 2.068 542 HB VAL 67 HB VAL 67 1.053 8.525 1.225 543 1HG1 VAL 67 3HG2 VAL 67 1.069 7.369 3.440 544 2HG1 VAL 67 1HG2 VAL 67 1.713 5.899 2.696 545 3HG1 VAL 67 2HG2 VAL 67 2.697 7.384 2.739 546 1HG2 VAL 67 2HG1 VAL 67 1.726 7.364 -0.888 547 2HG2 VAL 67 3HG1 VAL 67 3.056 7.487 0.282 548 3HG2 VAL 67 1HG1 VAL 67 2.221 5.936 0.053 549 H PHE 68 H PHE 68 -0.668 6.837 -1.469 550 HA PHE 68 HA PHE 68 -1.943 7.736 -3.180 551 1HB PHE 68 1HB PHE 68 -3.750 7.041 -1.241 552 2HB PHE 68 2HB PHE 68 -4.095 8.720 -1.241 553 HD1 PHE 68 HD1 PHE 68 -4.005 5.626 -3.370 554 HD2 PHE 68 HD2 PHE 68 -5.419 9.672 -3.110 555 HE1 PHE 68 HE1 PHE 68 -5.498 5.230 -5.287 556 HE2 PHE 68 HE2 PHE 68 -6.932 9.258 -5.011 557 HZ PHE 68 HZ PHE 68 -6.966 7.041 -6.106 558 H ARG 69 H ARG 69 -2.463 9.448 -4.479 559 HA ARG 69 HA ARG 69 -1.504 12.163 -3.664 560 1HB ARG 69 1HB ARG 69 -1.857 12.701 -6.027 561 2HB ARG 69 2HB ARG 69 -0.821 11.332 -5.776 562 1HG ARG 69 1HG ARG 69 -3.741 10.606 -6.340 563 2HG ARG 69 2HG ARG 69 -2.947 11.511 -7.597 564 1HD ARG 69 1HD ARG 69 -2.520 9.326 -8.283 565 2HD ARG 69 2HD ARG 69 -0.994 9.766 -7.521 566 1HH1 ARG 69 2HH2 ARG 69 -0.426 7.810 -8.001 567 2HH1 ARG 69 1HH2 ARG 69 -0.175 6.095 -7.367 568 1HH2 ARG 69 1HH1 ARG 69 -2.735 6.497 -5.216 569 2HH2 ARG 69 2HH1 ARG 69 -1.454 5.375 -5.947 570 H SER 70 H SER 70 -3.387 11.847 -1.987 571 HA SER 70 HA SER 70 -5.203 14.142 -2.374 572 1HB SER 70 1HB SER 70 -6.617 12.482 -3.615 573 2HB SER 70 2HB SER 70 -6.600 11.386 -2.237 574 HG SER 70 HG SER 70 -7.710 14.017 -2.314 575 H ARG 71 H ARG 71 -6.016 11.475 -0.206 576 HA ARG 71 HA ARG 71 -4.613 12.880 2.142 577 1HB ARG 71 1HB ARG 71 -6.997 10.925 1.858 578 2HB ARG 71 2HB ARG 71 -6.113 11.037 3.335 579 1HG ARG 71 1HG ARG 71 -6.609 13.555 3.465 580 2HG ARG 71 2HG ARG 71 -7.621 13.384 2.034 581 1HD ARG 71 1HD ARG 71 -9.045 11.649 3.280 582 2HD ARG 71 2HD ARG 71 -8.002 11.843 4.703 583 1HH1 ARG 71 2HH2 ARG 71 -10.149 11.601 5.475 584 2HH1 ARG 71 1HH2 ARG 71 -11.392 12.606 6.380 585 1HH2 ARG 71 1HH1 ARG 71 -10.340 15.432 4.858 586 2HH2 ARG 71 2HH1 ARG 71 -11.507 14.657 6.065 No H/Q in entry = 586 Start of MODEL 5 1 1H ALA 1 1H ALA 1 19.121 11.850 6.443 2 2H ALA 1 2H ALA 1 17.887 10.790 6.606 3 HA ALA 1 HA ALA 1 18.425 10.981 4.310 4 1HB ALA 1 3HB ALA 1 20.724 11.860 4.674 5 2HB ALA 1 1HB ALA 1 21.292 10.264 5.222 6 3HB ALA 1 2HB ALA 1 20.771 10.498 3.537 7 H LYS 2 H LYS 2 20.035 8.304 6.098 8 HA LYS 2 HA LYS 2 19.090 6.245 4.173 9 1HB LYS 2 1HB LYS 2 20.339 5.963 6.977 10 2HB LYS 2 2HB LYS 2 19.973 4.602 5.938 11 1HG LYS 2 1HG LYS 2 21.492 5.468 4.143 12 2HG LYS 2 2HG LYS 2 21.931 6.851 5.128 13 1HD LYS 2 1HD LYS 2 22.406 3.907 5.960 14 2HD LYS 2 2HD LYS 2 23.581 4.905 5.113 15 1HE LYS 2 1HE LYS 2 23.573 6.580 7.052 16 2HE LYS 2 2HE LYS 2 22.450 5.535 7.932 17 1HZ LYS 2 1HZ LYS 2 25.153 4.709 6.973 18 2HZ LYS 2 2HZ LYS 2 24.114 3.730 7.765 19 H GLU 3 H GLU 3 17.484 7.434 7.046 20 HA GLU 3 HA GLU 3 15.571 5.064 7.121 21 1HB GLU 3 1HB GLU 3 14.637 6.020 9.117 22 2HB GLU 3 2HB GLU 3 16.376 5.859 9.246 23 1HG GLU 3 1HG GLU 3 16.616 8.391 8.854 24 2HG GLU 3 2HG GLU 3 14.866 8.531 8.760 25 HE1 GLU 3 HE2 GLU 3 14.397 8.264 12.146 26 H ASP 4 H ASP 4 15.377 6.138 4.657 27 HA ASP 4 HA ASP 4 12.966 7.882 4.527 28 1HB ASP 4 1HB ASP 4 13.606 8.178 2.275 29 2HB ASP 4 2HB ASP 4 15.000 8.428 3.296 30 HD2 ASP 4 HD2 ASP 4 15.209 5.973 0.292 31 H ASN 5 H ASN 5 11.028 7.107 4.461 32 HA ASN 5 HA ASN 5 10.340 4.307 3.494 33 1HB ASN 5 1HB ASN 5 8.633 6.548 4.765 34 2HB ASN 5 2HB ASN 5 7.944 5.081 4.112 35 1HD2 ASN 5 1HD2 ASN 5 8.244 4.088 7.515 36 2HD2 ASN 5 2HD2 ASN 5 7.169 4.968 6.311 37 H ILE 6 H ILE 6 10.411 4.284 1.141 38 HA ILE 6 HA ILE 6 9.690 6.661 -0.450 39 HB ILE 6 HB ILE 6 10.217 3.927 -1.701 40 1HG1 ILE 6 1HG1 ILE 6 12.487 5.513 -0.453 41 2HG1 ILE 6 2HG1 ILE 6 11.824 3.990 0.009 42 1HG2 ILE 6 2HG2 ILE 6 9.759 5.948 -3.218 43 2HG2 ILE 6 3HG2 ILE 6 11.185 6.768 -2.531 44 3HG2 ILE 6 1HG2 ILE 6 11.357 5.282 -3.492 45 1HD1 ILE 6 2HD1 ILE 6 12.464 2.877 -2.163 46 2HD1 ILE 6 3HD1 ILE 6 13.290 4.370 -2.668 47 3HD1 ILE 6 1HD1 ILE 6 13.865 3.467 -1.246 48 H GLU 7 H GLU 7 8.173 6.775 -1.940 49 HA GLU 7 HA GLU 7 5.841 4.857 -1.811 50 1HB GLU 7 1HB GLU 7 4.281 6.501 -2.921 51 2HB GLU 7 2HB GLU 7 4.696 6.706 -1.224 52 1HG GLU 7 1HG GLU 7 6.318 8.388 -1.731 53 2HG GLU 7 2HG GLU 7 6.191 8.125 -3.445 54 HE2 GLU 7 HE2 GLU 7 4.344 11.139 -2.101 55 H MET 8 H MET 8 5.176 3.860 -3.302 56 HA MET 8 HA MET 8 6.903 3.315 -5.749 57 1HB MET 8 1HB MET 8 8.666 3.550 -4.023 58 2HB MET 8 2HB MET 8 7.882 2.485 -2.889 59 1HG MET 8 1HG MET 8 8.387 0.525 -4.153 60 2HG MET 8 2HG MET 8 8.710 1.539 -5.580 61 1HE MET 8 2HE MET 8 10.954 -0.004 -5.828 62 2HE MET 8 1HE MET 8 12.210 -0.123 -4.560 63 3HE MET 8 3HE MET 8 10.596 -0.843 -4.284 64 H GLN 9 H GLN 9 4.709 2.863 -5.937 65 HA GLN 9 HA GLN 9 3.347 0.768 -4.498 66 1HB GLN 9 1HB GLN 9 1.386 1.860 -5.463 67 2HB GLN 9 2HB GLN 9 2.547 2.598 -4.506 68 1HG GLN 9 1HG GLN 9 1.513 4.152 -6.073 69 2HG GLN 9 2HG GLN 9 3.151 4.281 -5.448 70 1HE2 GLN 9 2HE2 GLN 9 2.660 3.516 -9.473 71 2HE2 GLN 9 1HE2 GLN 9 1.361 2.983 -8.276 72 H GLY 10 H GLY 10 1.335 0.547 -6.509 73 1HA GLY 10 2HA GLY 10 2.077 -1.274 -8.703 74 2HA GLY 10 1HA GLY 10 1.925 -2.276 -7.270 75 H THR 11 H THR 11 0.265 -3.605 -8.145 76 HA THR 11 HA THR 11 -2.453 -2.209 -8.640 77 HB THR 11 HB THR 11 -1.335 -4.719 -10.051 78 HG1 THR 11 HG1 THR 11 -2.084 -2.439 -11.467 79 1HG2 THR 11 3HG2 THR 11 -3.982 -3.166 -10.528 80 2HG2 THR 11 1HG2 THR 11 -3.354 -4.490 -11.546 81 3HG2 THR 11 2HG2 THR 11 -3.833 -4.817 -9.871 82 H VAL 12 H VAL 12 -4.039 -2.953 -7.388 83 HA VAL 12 HA VAL 12 -3.470 -4.506 -5.005 84 HB VAL 12 HB VAL 12 -6.228 -4.322 -6.324 85 1HG1 VAL 12 1HG2 VAL 12 -5.295 -5.154 -3.496 86 2HG1 VAL 12 2HG2 VAL 12 -6.979 -4.784 -3.858 87 3HG1 VAL 12 3HG2 VAL 12 -6.235 -6.110 -4.675 88 1HG2 VAL 12 1HG1 VAL 12 -5.389 -2.480 -4.048 89 2HG2 VAL 12 2HG1 VAL 12 -5.822 -1.981 -5.710 90 3HG2 VAL 12 3HG1 VAL 12 -7.015 -2.727 -4.671 91 H LEU 13 H LEU 13 -3.065 -6.906 -5.161 92 HA LEU 13 HA LEU 13 -4.493 -8.608 -7.261 93 1HB LEU 13 1HB LEU 13 -2.486 -9.670 -5.221 94 2HB LEU 13 2HB LEU 13 -3.282 -10.556 -6.494 95 HG LEU 13 HG LEU 13 -1.197 -8.335 -6.874 96 1HD1 LEU 13 2HD2 LEU 13 -0.310 -10.553 -6.086 97 2HD1 LEU 13 3HD2 LEU 13 -1.119 -11.383 -7.438 98 3HD1 LEU 13 1HD2 LEU 13 0.198 -10.239 -7.758 99 1HD2 LEU 13 2HD1 LEU 13 -2.706 -9.952 -9.050 100 2HD2 LEU 13 3HD1 LEU 13 -2.754 -8.187 -8.809 101 3HD2 LEU 13 1HD1 LEU 13 -1.260 -8.960 -9.349 102 H GLU 14 H GLU 14 -4.481 -8.190 -3.730 103 HA GLU 14 HA GLU 14 -7.466 -8.867 -3.898 104 1HB GLU 14 1HB GLU 14 -6.322 -10.864 -3.113 105 2HB GLU 14 2HB GLU 14 -5.470 -9.959 -1.862 106 1HG GLU 14 1HG GLU 14 -7.041 -11.057 -0.701 107 2HG GLU 14 2HG GLU 14 -7.783 -9.522 -0.736 108 HE1 GLU 14 HE2 GLU 14 -10.389 -10.471 -2.849 109 H THR 15 H THR 15 -8.534 -8.150 -2.212 110 HA THR 15 HA THR 15 -7.847 -5.395 -0.772 111 HB THR 15 HB THR 15 -10.193 -4.701 -0.890 112 HG1 THR 15 HG1 THR 15 -11.024 -6.762 -1.632 113 1HG2 THR 15 2HG2 THR 15 -8.296 -3.902 -2.486 114 2HG2 THR 15 3HG2 THR 15 -9.063 -4.896 -3.716 115 3HG2 THR 15 1HG2 THR 15 -9.956 -3.531 -2.982 116 H LEU 16 H LEU 16 -7.461 -6.720 1.031 117 HA LEU 16 HA LEU 16 -8.742 -9.172 1.715 118 1HB LEU 16 1HB LEU 16 -6.875 -6.937 2.880 119 2HB LEU 16 2HB LEU 16 -7.452 -8.105 3.940 120 HG LEU 16 HG LEU 16 -5.435 -8.772 3.436 121 1HD1 LEU 16 2HD2 LEU 16 -6.924 -10.886 3.353 122 2HD1 LEU 16 3HD2 LEU 16 -7.065 -10.669 1.587 123 3HD1 LEU 16 1HD2 LEU 16 -5.499 -11.046 2.305 124 1HD2 LEU 16 3HD1 LEU 16 -5.015 -7.473 1.454 125 2HD2 LEU 16 1HD1 LEU 16 -4.401 -9.120 1.285 126 3HD2 LEU 16 2HD1 LEU 16 -5.907 -8.637 0.449 127 HA PRO 17 HA PRO 17 -12.457 -8.799 4.112 128 1HB PRO 17 2HB PRO 17 -11.728 -9.694 6.700 129 2HB PRO 17 1HB PRO 17 -12.119 -10.705 5.287 130 1HG PRO 17 2HG PRO 17 -9.503 -9.777 6.494 131 2HG PRO 17 1HG PRO 17 -9.996 -11.435 6.013 132 1HD PRO 17 2HD PRO 17 -8.635 -9.961 4.476 133 2HD PRO 17 1HD PRO 17 -9.987 -10.873 3.695 134 H ASN 18 H ASN 18 -10.056 -6.893 5.934 135 HA ASN 18 HA ASN 18 -12.233 -4.996 6.929 136 1HB ASN 18 1HB ASN 18 -9.300 -5.294 7.465 137 2HB ASN 18 2HB ASN 18 -10.182 -3.884 7.949 138 1HD2 ASN 18 1HD2 ASN 18 -10.109 -5.932 10.865 139 2HD2 ASN 18 2HD2 ASN 18 -8.825 -5.283 9.731 140 H THR 19 H THR 19 -9.320 -3.519 5.894 141 HA THR 19 HA THR 19 -10.008 -3.380 2.951 142 HB THR 19 HB THR 19 -10.283 -1.080 4.782 143 HG1 THR 19 HG1 THR 19 -11.993 -2.572 3.902 144 1HG2 THR 19 3HG2 THR 19 -10.088 -0.914 1.671 145 2HG2 THR 19 1HG2 THR 19 -10.584 0.429 2.719 146 3HG2 THR 19 2HG2 THR 19 -8.912 -0.157 2.774 147 H MET 20 H MET 20 -7.896 -4.698 3.806 148 HA MET 20 HA MET 20 -5.555 -3.084 2.997 149 1HB MET 20 1HB MET 20 -5.955 -5.863 4.393 150 2HB MET 20 2HB MET 20 -4.381 -5.231 3.989 151 1HG MET 20 1HG MET 20 -4.928 -3.159 5.345 152 2HG MET 20 2HG MET 20 -6.447 -3.808 5.741 153 1HE MET 20 2HE MET 20 -2.598 -4.121 6.062 154 2HE MET 20 1HE MET 20 -2.328 -5.384 7.292 155 3HE MET 20 3HE MET 20 -2.805 -5.840 5.630 156 H PHE 21 H PHE 21 -3.747 -4.288 1.845 157 HA PHE 21 HA PHE 21 -5.015 -5.008 -0.969 158 1HB PHE 21 1HB PHE 21 -2.691 -3.157 -0.528 159 2HB PHE 21 2HB PHE 21 -3.600 -3.664 -1.969 160 HD1 PHE 21 HD2 PHE 21 -5.911 -3.306 -2.144 161 HD2 PHE 21 HD1 PHE 21 -3.829 -1.790 1.042 162 HE1 PHE 21 HE2 PHE 21 -8.090 -2.258 -1.256 163 HE2 PHE 21 HE1 PHE 21 -6.101 -1.198 1.996 164 HZ PHE 21 HZ PHE 21 -8.007 -0.762 0.500 165 H ARG 22 H ARG 22 -4.216 -7.145 -1.300 166 HA ARG 22 HA ARG 22 -1.332 -7.967 -0.546 167 1HB ARG 22 1HB ARG 22 -3.588 -9.617 -0.679 168 2HB ARG 22 2HB ARG 22 -2.831 -9.851 -2.227 169 1HG ARG 22 2HG ARG 22 -0.588 -10.265 -0.925 170 2HG ARG 22 1HG ARG 22 -1.557 -10.288 0.544 171 1HD ARG 22 1HD ARG 22 -1.875 -12.176 -1.879 172 2HD ARG 22 2HD ARG 22 -1.062 -12.555 -0.375 173 1HH1 ARG 22 2HH2 ARG 22 -3.587 -12.656 -2.545 174 2HH1 ARG 22 1HH2 ARG 22 -5.293 -13.327 -2.352 175 1HH2 ARG 22 1HH1 ARG 22 -5.003 -13.152 1.011 176 2HH2 ARG 22 2HH1 ARG 22 -6.065 -13.601 -0.438 177 H VAL 23 H VAL 23 -0.060 -6.748 -1.826 178 HA VAL 23 HA VAL 23 -1.130 -5.985 -4.601 179 HB VAL 23 HB VAL 23 1.118 -4.386 -3.330 180 1HG1 VAL 23 3HG2 VAL 23 0.291 -3.736 -5.627 181 2HG1 VAL 23 1HG2 VAL 23 -1.355 -3.565 -4.953 182 3HG1 VAL 23 2HG2 VAL 23 -0.059 -2.490 -4.435 183 1HG2 VAL 23 1HG1 VAL 23 -1.836 -4.225 -2.656 184 2HG2 VAL 23 2HG1 VAL 23 -0.525 -4.375 -1.472 185 3HG2 VAL 23 3HG1 VAL 23 -0.777 -2.828 -2.319 186 H GLU 24 H GLU 24 -0.056 -5.882 -6.371 187 HA GLU 24 HA GLU 24 2.587 -7.448 -6.618 188 1HB GLU 24 2HB GLU 24 0.269 -7.248 -8.398 189 2HB GLU 24 1HB GLU 24 1.417 -6.288 -9.190 190 1HG GLU 24 1HG GLU 24 3.193 -8.034 -9.212 191 2HG GLU 24 2HG GLU 24 2.172 -9.150 -8.325 192 HE1 GLU 24 HE2 GLU 24 1.450 -8.398 -12.192 193 H LEU 25 H LEU 25 4.226 -5.905 -5.908 194 HA LEU 25 HA LEU 25 4.062 -3.166 -6.336 195 1HB LEU 25 1HB LEU 25 6.152 -5.365 -5.669 196 2HB LEU 25 2HB LEU 25 6.873 -3.957 -6.214 197 HG LEU 25 HG LEU 25 5.143 -4.110 -3.814 198 1HD1 LEU 25 2HD2 LEU 25 7.484 -5.063 -3.653 199 2HD1 LEU 25 3HD2 LEU 25 8.171 -3.510 -4.189 200 3HD1 LEU 25 1HD2 LEU 25 7.327 -3.627 -2.629 201 1HD2 LEU 25 2HD1 LEU 25 6.541 -1.571 -4.945 202 2HD2 LEU 25 3HD1 LEU 25 4.791 -1.806 -4.712 203 3HD2 LEU 25 1HD1 LEU 25 5.848 -1.712 -3.315 204 H GLU 26 H GLU 26 5.986 -2.066 -7.264 205 HA GLU 26 HA GLU 26 6.341 -2.408 -10.286 206 1HB GLU 26 1HB GLU 26 7.549 -0.299 -10.312 207 2HB GLU 26 2HB GLU 26 5.995 -0.122 -9.526 208 1HG GLU 26 1HG GLU 26 7.110 -0.067 -7.250 209 2HG GLU 26 2HG GLU 26 8.690 -0.306 -7.995 210 HE2 GLU 26 HE2 GLU 26 9.062 2.985 -8.717 211 H ASN 27 H ASN 27 7.958 -3.261 -7.494 212 HA ASN 27 HA ASN 27 10.695 -4.000 -8.541 213 1HB ASN 27 1HB ASN 27 10.233 -3.197 -6.210 214 2HB ASN 27 2HB ASN 27 9.113 -4.539 -6.056 215 1HD2 ASN 27 1HD2 ASN 27 11.838 -5.704 -4.214 216 2HD2 ASN 27 2HD2 ASN 27 10.077 -5.233 -4.257 217 H GLY 28 H GLY 28 7.590 -5.467 -9.047 218 1HA GLY 28 2HA GLY 28 7.014 -7.617 -9.886 219 2HA GLY 28 1HA GLY 28 8.684 -8.084 -9.782 220 H HIS 29 H HIS 29 7.993 -7.133 -6.775 221 HA HIS 29 HA HIS 29 7.528 -9.911 -5.702 222 1HB HIS 29 1HB HIS 29 9.257 -8.068 -4.893 223 2HB HIS 29 2HB HIS 29 7.890 -7.279 -4.123 224 HD2 HIS 29 HD2 HIS 29 10.266 -10.241 -3.853 225 HE1 HIS 29 HE1 HIS 29 7.860 -10.400 -0.431 226 HE2 HIS 29 HE2 HIS 29 9.960 -11.477 -1.470 227 H VAL 30 H VAL 30 5.916 -10.434 -4.147 228 HA VAL 30 HA VAL 30 3.260 -8.968 -4.494 229 HB VAL 30 HB VAL 30 3.839 -11.933 -4.129 230 1HG1 VAL 30 1HG2 VAL 30 1.123 -10.568 -3.574 231 2HG1 VAL 30 2HG2 VAL 30 1.394 -12.329 -3.769 232 3HG1 VAL 30 3HG2 VAL 30 2.117 -11.467 -2.399 233 1HG2 VAL 30 1HG1 VAL 30 2.028 -10.233 -5.994 234 2HG2 VAL 30 2HG1 VAL 30 3.581 -10.951 -6.452 235 3HG2 VAL 30 3HG1 VAL 30 2.193 -12.010 -6.083 236 H VAL 31 H VAL 31 3.085 -7.681 -3.061 237 HA VAL 31 HA VAL 31 4.283 -8.070 -0.234 238 HB VAL 31 HB VAL 31 4.264 -5.660 0.139 239 1HG1 VAL 31 3HG2 VAL 31 6.278 -6.781 -0.882 240 2HG1 VAL 31 1HG2 VAL 31 5.755 -6.221 -2.472 241 3HG1 VAL 31 2HG2 VAL 31 6.167 -5.043 -1.181 242 1HG2 VAL 31 2HG1 VAL 31 2.390 -4.848 -1.298 243 2HG2 VAL 31 3HG1 VAL 31 3.891 -3.958 -1.629 244 3HG2 VAL 31 1HG1 VAL 31 3.332 -5.219 -2.761 245 H THR 32 H THR 32 3.278 -7.436 1.645 246 HA THR 32 HA THR 32 0.193 -7.509 1.623 247 HB THR 32 HB THR 32 2.246 -7.890 3.897 248 HG1 THR 32 HG1 THR 32 1.678 -9.599 2.388 249 1HG2 THR 32 3HG2 THR 32 -0.843 -7.779 4.117 250 2HG2 THR 32 1HG2 THR 32 0.251 -8.406 5.390 251 3HG2 THR 32 2HG2 THR 32 0.311 -6.698 4.918 252 H ALA 33 H ALA 33 -0.638 -5.371 1.410 253 HA ALA 33 HA ALA 33 0.517 -3.291 3.321 254 1HB ALA 33 2HB ALA 33 1.015 -3.085 0.885 255 2HB ALA 33 3HB ALA 33 -0.726 -3.104 0.487 256 3HB ALA 33 1HB ALA 33 -0.041 -1.760 1.426 257 H HIS 34 H HIS 34 -0.661 -1.523 3.743 258 HA HIS 34 HA HIS 34 -3.677 -1.815 4.093 259 1HB HIS 34 1HB HIS 34 -3.292 -0.143 6.189 260 2HB HIS 34 2HB HIS 34 -3.435 -1.831 6.360 261 HD2 HIS 34 HD2 HIS 34 -0.830 1.062 6.529 262 HE1 HIS 34 HE1 HIS 34 0.981 -2.226 8.347 263 HE2 HIS 34 HE2 HIS 34 1.315 0.294 7.916 264 H ILE 35 H ILE 35 -4.424 0.650 4.475 265 HA ILE 35 HA ILE 35 -2.759 2.470 2.747 266 HB ILE 35 HB ILE 35 -4.687 3.489 2.372 267 1HG1 ILE 35 1HG1 ILE 35 -6.908 2.877 4.132 268 2HG1 ILE 35 2HG1 ILE 35 -5.552 3.157 5.172 269 1HG2 ILE 35 2HG2 ILE 35 -5.148 1.282 1.432 270 2HG2 ILE 35 3HG2 ILE 35 -6.199 0.918 2.819 271 3HG2 ILE 35 1HG2 ILE 35 -6.611 2.222 1.694 272 1HD1 ILE 35 1HD1 ILE 35 -5.156 5.385 3.705 273 2HD1 ILE 35 2HD1 ILE 35 -6.822 5.097 3.142 274 3HD1 ILE 35 3HD1 ILE 35 -6.462 5.367 4.865 275 H SER 36 H SER 36 -2.784 4.897 3.587 276 HA SER 36 HA SER 36 -1.319 4.978 6.092 277 1HB SER 36 1HB SER 36 -0.987 7.309 5.504 278 2HB SER 36 2HB SER 36 -0.842 6.336 4.069 279 HG SER 36 HG SER 36 -2.835 7.081 3.366 280 H GLY 37 H GLY 37 -4.082 4.317 6.584 281 1HA GLY 37 1HA GLY 37 -5.615 4.477 8.477 282 2HA GLY 37 2HA GLY 37 -4.377 5.402 9.293 283 H LYS 38 H LYS 38 -4.308 7.641 7.904 284 HA LYS 38 HA LYS 38 -6.494 9.278 8.942 285 1HB LYS 38 1HB LYS 38 -5.200 11.092 8.339 286 2HB LYS 38 2HB LYS 38 -4.107 9.833 8.847 287 1HG LYS 38 2HG LYS 38 -3.720 9.183 6.497 288 2HG LYS 38 1HG LYS 38 -4.718 10.568 6.005 289 1HD LYS 38 1HD LYS 38 -3.122 12.142 7.225 290 2HD LYS 38 2HD LYS 38 -2.061 10.795 7.593 291 1HE LYS 38 1HE LYS 38 -2.820 11.686 4.706 292 2HE LYS 38 2HE LYS 38 -1.405 12.269 5.575 293 1HZ LYS 38 1HZ LYS 38 -1.931 9.428 4.842 294 2HZ LYS 38 2HZ LYS 38 -0.715 9.884 5.817 295 H MET 39 H MET 39 -5.656 8.765 5.695 296 HA MET 39 HA MET 39 -8.171 9.900 4.637 297 1HB MET 39 1HB MET 39 -7.509 8.527 2.456 298 2HB MET 39 2HB MET 39 -6.855 10.095 2.845 299 1HG MET 39 1HG MET 39 -4.790 9.276 3.407 300 2HG MET 39 2HG MET 39 -5.342 7.610 3.464 301 1HE MET 39 3HE MET 39 -6.656 6.562 1.148 302 2HE MET 39 2HE MET 39 -5.435 6.461 -0.146 303 3HE MET 39 1HE MET 39 -4.977 6.043 1.520 304 H ARG 40 H ARG 40 -7.778 6.405 5.306 305 HA ARG 40 HA ARG 40 -9.919 5.196 4.456 306 1HB ARG 40 1HB ARG 40 -9.321 5.687 7.473 307 2HB ARG 40 2HB ARG 40 -10.457 4.519 6.914 308 1HG ARG 40 2HG ARG 40 -8.524 3.453 5.497 309 2HG ARG 40 1HG ARG 40 -7.446 4.428 6.502 310 1HD ARG 40 1HD ARG 40 -8.350 3.336 8.574 311 2HD ARG 40 2HD ARG 40 -9.424 2.330 7.614 312 1HH1 ARG 40 2HH2 ARG 40 -9.035 1.241 5.759 313 2HH1 ARG 40 1HH2 ARG 40 -8.084 -0.186 5.070 314 1HH2 ARG 40 1HH1 ARG 40 -5.578 0.400 7.253 315 2HH2 ARG 40 2HH1 ARG 40 -6.280 -0.677 5.909 316 H LYS 41 H LYS 41 -10.474 8.047 6.425 317 HA LYS 41 HA LYS 41 -13.516 7.830 6.008 318 1HB LYS 41 1HB LYS 41 -11.793 9.157 8.209 319 2HB LYS 41 2HB LYS 41 -13.386 9.700 7.917 320 1HG LYS 41 1HG LYS 41 -12.827 6.722 8.520 321 2HG LYS 41 2HG LYS 41 -12.969 7.916 9.783 322 1HD LYS 41 1HD LYS 41 -15.082 6.825 9.662 323 2HD LYS 41 2HD LYS 41 -15.305 8.470 9.132 324 1HE LYS 41 1HE LYS 41 -16.689 6.921 7.818 325 2HE LYS 41 2HE LYS 41 -15.571 7.747 6.756 326 1HZ LYS 41 1HZ LYS 41 -14.976 5.056 7.899 327 2HZ LYS 41 2HZ LYS 41 -14.197 5.780 6.663 328 H ASN 42 H ASN 42 -11.730 8.595 4.039 329 HA ASN 42 HA ASN 42 -13.200 11.019 2.935 330 1HB ASN 42 1HB ASN 42 -11.087 11.822 4.146 331 2HB ASN 42 2HB ASN 42 -10.112 10.747 3.169 332 1HD2 ASN 42 1HD2 ASN 42 -9.698 13.951 1.665 333 2HD2 ASN 42 2HD2 ASN 42 -9.526 13.305 3.380 334 H TYR 43 H TYR 43 -10.464 8.938 2.143 335 HA TYR 43 HA TYR 43 -11.802 7.748 -0.337 336 1HB TYR 43 1HB TYR 43 -9.673 8.562 -0.893 337 2HB TYR 43 2HB TYR 43 -8.976 7.910 0.555 338 HD1 TYR 43 HD1 TYR 43 -10.640 4.974 -0.597 339 HD2 TYR 43 HD2 TYR 43 -7.441 7.660 -1.657 340 HE1 TYR 43 HE1 TYR 43 -9.390 3.132 -1.385 341 HE2 TYR 43 HE2 TYR 43 -6.214 5.752 -2.611 342 HH TYR 43 HH TYR 43 -7.541 2.495 -2.598 343 H ILE 44 H ILE 44 -13.295 6.665 1.281 344 HA ILE 44 HA ILE 44 -12.511 4.702 3.058 345 HB ILE 44 HB ILE 44 -15.023 4.464 1.498 346 1HG1 ILE 44 2HG1 ILE 44 -14.478 6.349 3.844 347 2HG1 ILE 44 1HG1 ILE 44 -14.890 6.833 2.228 348 1HG2 ILE 44 3HG2 ILE 44 -14.495 2.545 3.097 349 2HG2 ILE 44 1HG2 ILE 44 -14.399 3.716 4.434 350 3HG2 ILE 44 2HG2 ILE 44 -15.942 3.422 3.599 351 1HD1 ILE 44 3HD1 ILE 44 -17.214 5.842 2.443 352 2HD1 ILE 44 1HD1 ILE 44 -16.856 5.455 4.151 353 3HD1 ILE 44 2HD1 ILE 44 -16.867 7.141 3.610 354 H ARG 45 H ARG 45 -13.858 3.410 0.061 355 HA ARG 45 HA ARG 45 -11.760 1.336 0.049 356 1HB ARG 45 1HB ARG 45 -13.541 -0.159 -0.877 357 2HB ARG 45 2HB ARG 45 -13.836 0.574 0.624 358 1HG ARG 45 1HG ARG 45 -15.428 2.270 -0.586 359 2HG ARG 45 2HG ARG 45 -15.000 1.506 -2.106 360 1HD ARG 45 1HD ARG 45 -15.983 -0.730 -1.184 361 2HD ARG 45 2HD ARG 45 -16.428 0.128 0.280 362 1HH1 ARG 45 2HH2 ARG 45 -16.473 -0.628 -3.133 363 2HH1 ARG 45 1HH2 ARG 45 -17.820 -0.421 -4.379 364 1HH2 ARG 45 1HH1 ARG 45 -19.502 1.578 -2.223 365 2HH2 ARG 45 2HH1 ARG 45 -19.467 0.784 -3.894 366 H ILE 46 H ILE 46 -11.776 0.007 -1.586 367 HA ILE 46 HA ILE 46 -11.501 0.800 -4.479 368 HB ILE 46 HB ILE 46 -9.136 0.045 -4.734 369 1HG1 ILE 46 1HG1 ILE 46 -8.572 1.254 -1.978 370 2HG1 ILE 46 2HG1 ILE 46 -9.039 -0.416 -2.050 371 1HG2 ILE 46 2HG2 ILE 46 -9.887 2.276 -5.328 372 2HG2 ILE 46 3HG2 ILE 46 -9.777 2.830 -3.659 373 3HG2 ILE 46 1HG2 ILE 46 -8.295 2.393 -4.547 374 1HD1 ILE 46 3HD1 ILE 46 -6.872 0.551 -3.991 375 2HD1 ILE 46 1HD1 ILE 46 -6.511 0.052 -2.300 376 3HD1 ILE 46 2HD1 ILE 46 -7.291 -1.081 -3.421 377 H LEU 47 H LEU 47 -10.360 -1.064 -5.721 378 HA LEU 47 HA LEU 47 -12.123 -3.490 -5.053 379 1HB LEU 47 1HB LEU 47 -13.116 -1.910 -6.805 380 2HB LEU 47 2HB LEU 47 -11.700 -2.164 -7.804 381 HG LEU 47 HG LEU 47 -12.316 -4.602 -8.075 382 1HD1 LEU 47 1HD2 LEU 47 -14.883 -3.820 -6.505 383 2HD1 LEU 47 2HD2 LEU 47 -14.632 -5.350 -7.377 384 3HD1 LEU 47 3HD2 LEU 47 -13.653 -4.979 -5.951 385 1HD2 LEU 47 2HD1 LEU 47 -13.052 -2.900 -9.745 386 2HD2 LEU 47 3HD1 LEU 47 -14.266 -4.177 -9.574 387 3HD2 LEU 47 1HD1 LEU 47 -14.541 -2.590 -8.819 388 H THR 48 H THR 48 -11.440 -5.415 -6.229 389 HA THR 48 HA THR 48 -8.515 -5.995 -5.806 390 HB THR 48 HB THR 48 -10.868 -7.672 -6.532 391 HG1 THR 48 HG1 THR 48 -10.302 -6.803 -4.314 392 1HG2 THR 48 3HG2 THR 48 -7.968 -8.570 -6.196 393 2HG2 THR 48 1HG2 THR 48 -9.347 -9.686 -6.046 394 3HG2 THR 48 2HG2 THR 48 -9.009 -8.878 -7.596 395 H GLY 49 H GLY 49 -7.678 -4.589 -7.164 396 1HA GLY 49 1HA GLY 49 -6.147 -5.031 -9.280 397 2HA GLY 49 2HA GLY 49 -7.634 -5.182 -10.217 398 H ASP 50 H ASP 50 -7.203 -2.864 -7.668 399 HA ASP 50 HA ASP 50 -7.336 -0.540 -9.592 400 1HB ASP 50 1HB ASP 50 -7.929 -0.888 -6.685 401 2HB ASP 50 2HB ASP 50 -7.671 0.686 -7.335 402 HD1 ASP 50 HD2 ASP 50 -10.717 -0.592 -9.378 403 H LYS 51 H LYS 51 -5.932 1.123 -9.625 404 HA LYS 51 HA LYS 51 -3.181 0.722 -9.012 405 1HB LYS 51 1HB LYS 51 -4.366 3.285 -10.041 406 2HB LYS 51 2HB LYS 51 -2.726 2.681 -10.188 407 1HG LYS 51 2HG LYS 51 -5.253 1.609 -11.453 408 2HG LYS 51 1HG LYS 51 -3.817 2.260 -12.253 409 1HD LYS 51 1HD LYS 51 -2.788 -0.011 -11.024 410 2HD LYS 51 2HD LYS 51 -4.442 -0.515 -11.187 411 1HE LYS 51 1HE LYS 51 -4.310 0.051 -13.728 412 2HE LYS 51 2HE LYS 51 -2.575 0.340 -13.498 413 1HZ LYS 51 1HZ LYS 51 -2.924 -1.947 -14.139 414 2HZ LYS 51 2HZ LYS 51 -4.055 -2.200 -12.993 415 H VAL 52 H VAL 52 -3.254 0.448 -7.035 416 HA VAL 52 HA VAL 52 -3.600 2.388 -4.823 417 HB VAL 52 HB VAL 52 -2.134 0.578 -3.515 418 1HG1 VAL 52 3HG2 VAL 52 -4.661 0.807 -3.374 419 2HG1 VAL 52 1HG2 VAL 52 -4.805 -0.275 -4.778 420 3HG1 VAL 52 2HG2 VAL 52 -4.145 -0.884 -3.241 421 1HG2 VAL 52 2HG1 VAL 52 -1.183 -0.792 -5.333 422 2HG2 VAL 52 3HG1 VAL 52 -2.196 -1.681 -4.159 423 3HG2 VAL 52 1HG1 VAL 52 -2.833 -1.329 -5.768 424 H THR 53 H THR 53 -1.844 2.852 -3.157 425 HA THR 53 HA THR 53 0.756 3.477 -4.397 426 HB THR 53 HB THR 53 -0.402 5.816 -2.861 427 HG1 THR 53 HG1 THR 53 -0.915 5.107 -5.308 428 1HG2 THR 53 3HG2 THR 53 2.306 5.416 -3.053 429 2HG2 THR 53 1HG2 THR 53 2.090 5.958 -4.709 430 3HG2 THR 53 2HG2 THR 53 1.668 7.021 -3.383 431 H VAL 54 H VAL 54 1.962 2.147 -3.324 432 HA VAL 54 HA VAL 54 1.292 1.487 -0.536 433 HB VAL 54 HB VAL 54 3.165 -0.346 -2.117 434 1HG1 VAL 54 2HG2 VAL 54 0.622 -0.937 -0.497 435 2HG1 VAL 54 3HG2 VAL 54 1.749 -2.170 -1.100 436 3HG1 VAL 54 1HG2 VAL 54 2.292 -1.012 0.108 437 1HG2 VAL 54 2HG1 VAL 54 1.431 -0.004 -4.006 438 2HG2 VAL 54 3HG1 VAL 54 1.666 -1.643 -3.428 439 3HG2 VAL 54 1HG1 VAL 54 0.221 -0.685 -2.940 440 H GLU 55 H GLU 55 2.461 2.942 0.565 441 HA GLU 55 HA GLU 55 5.200 3.639 -0.384 442 1HB GLU 55 1HB GLU 55 3.567 5.158 1.107 443 2HB GLU 55 2HB GLU 55 4.204 4.185 2.435 444 1HG GLU 55 1HG GLU 55 6.550 4.977 1.952 445 2HG GLU 55 2HG GLU 55 5.951 5.947 0.623 446 HE2 GLU 55 HE2 GLU 55 5.127 8.553 2.583 447 H LEU 56 H LEU 56 7.133 2.991 0.499 448 HA LEU 56 HA LEU 56 7.233 0.319 1.787 449 1HB LEU 56 1HB LEU 56 8.968 2.217 0.087 450 2HB LEU 56 2HB LEU 56 9.823 1.053 0.953 451 HG LEU 56 HG LEU 56 9.303 0.475 -1.143 452 1HD1 LEU 56 2HD1 LEU 56 9.853 -1.364 0.431 453 2HD1 LEU 56 3HD1 LEU 56 8.125 -1.619 0.778 454 3HD1 LEU 56 1HD1 LEU 56 8.770 -1.988 -0.831 455 1HD2 LEU 56 3HD2 LEU 56 6.938 1.345 -1.351 456 2HD2 LEU 56 1HD2 LEU 56 7.128 -0.273 -2.062 457 3HD2 LEU 56 2HD2 LEU 56 6.369 -0.057 -0.449 458 H THR 57 H THR 57 9.479 0.041 2.556 459 HA THR 57 HA THR 57 10.297 1.941 4.702 460 HB THR 57 HB THR 57 11.061 -0.095 6.038 461 HG1 THR 57 HG1 THR 57 8.836 -1.110 4.705 462 1HG2 THR 57 2HG2 THR 57 9.769 1.643 7.075 463 2HG2 THR 57 3HG2 THR 57 8.247 0.963 6.416 464 3HG2 THR 57 1HG2 THR 57 9.203 0.051 7.637 465 HA PRO 58 HA PRO 58 14.634 1.015 3.372 466 1HB PRO 58 1HB PRO 58 14.770 1.245 6.325 467 2HB PRO 58 2HB PRO 58 15.997 1.686 5.151 468 1HG PRO 58 1HG PRO 58 14.367 3.642 5.915 469 2HG PRO 58 2HG PRO 58 14.454 3.438 4.167 470 1HD PRO 58 1HD PRO 58 12.200 2.478 6.054 471 2HD PRO 58 2HD PRO 58 12.051 3.119 4.474 472 H TYR 59 H TYR 59 13.376 -0.596 6.167 473 HA TYR 59 HA TYR 59 15.229 -3.020 5.954 474 1HB TYR 59 1HB TYR 59 14.405 -1.731 8.180 475 2HB TYR 59 2HB TYR 59 12.979 -2.651 8.043 476 HD1 TYR 59 HD1 TYR 59 16.658 -2.871 8.605 477 HD2 TYR 59 HD2 TYR 59 12.984 -5.105 8.513 478 HE1 TYR 59 HE1 TYR 59 17.766 -4.764 9.737 479 HE2 TYR 59 HE2 TYR 59 14.104 -6.981 9.641 480 HH TYR 59 HH TYR 59 16.023 -7.769 10.439 481 H ASP 60 H ASP 60 11.757 -2.529 5.944 482 HA ASP 60 HA ASP 60 11.282 -5.509 5.334 483 1HB ASP 60 1HB ASP 60 10.408 -4.447 7.474 484 2HB ASP 60 2HB ASP 60 9.345 -3.434 6.507 485 HD2 ASP 60 HD2 ASP 60 7.066 -5.839 7.242 486 H LEU 61 H LEU 61 12.069 -4.613 3.105 487 HA LEU 61 HA LEU 61 10.257 -3.531 1.260 488 1HB LEU 61 1HB LEU 61 12.481 -5.629 0.891 489 2HB LEU 61 2HB LEU 61 11.584 -4.982 -0.458 490 HG LEU 61 HG LEU 61 12.293 -2.638 0.072 491 1HD1 LEU 61 3HD1 LEU 61 14.142 -3.935 2.209 492 2HD1 LEU 61 1HD1 LEU 61 14.315 -2.283 1.574 493 3HD1 LEU 61 2HD1 LEU 61 12.885 -2.707 2.497 494 1HD2 LEU 61 3HD2 LEU 61 13.510 -4.094 -1.571 495 2HD2 LEU 61 1HD2 LEU 61 14.636 -2.990 -0.744 496 3HD2 LEU 61 2HD2 LEU 61 14.564 -4.708 -0.266 497 H SER 62 H SER 62 9.701 -6.667 2.588 498 HA SER 62 HA SER 62 7.859 -7.643 0.413 499 1HB SER 62 1HB SER 62 8.502 -8.561 3.305 500 2HB SER 62 2HB SER 62 7.390 -9.378 2.234 501 HG SER 62 HG SER 62 10.013 -8.789 1.363 502 H LYS 63 H LYS 63 7.438 -5.113 2.707 503 HA LYS 63 HA LYS 63 4.419 -5.415 2.647 504 1HB LYS 63 1HB LYS 63 6.366 -4.602 4.894 505 2HB LYS 63 2HB LYS 63 4.706 -4.214 4.935 506 1HG LYS 63 1HG LYS 63 4.881 -7.061 4.285 507 2HG LYS 63 2HG LYS 63 5.955 -6.763 5.587 508 1HD LYS 63 2HD LYS 63 2.965 -5.954 5.558 509 2HD LYS 63 1HD LYS 63 3.568 -7.457 6.243 510 1HE LYS 63 1HE LYS 63 4.918 -6.188 7.971 511 2HE LYS 63 2HE LYS 63 4.383 -4.647 7.282 512 1HZ LYS 63 1HZ LYS 63 2.577 -6.742 8.405 513 2HZ LYS 63 2HZ LYS 63 2.062 -5.361 7.716 514 H GLY 64 H GLY 64 3.455 -3.350 3.272 515 1HA GLY 64 2HA GLY 64 4.667 -0.756 3.055 516 2HA GLY 64 1HA GLY 64 4.162 -1.086 1.405 517 H ARG 65 H ARG 65 3.021 0.981 1.935 518 HA ARG 65 HA ARG 65 0.157 0.290 2.541 519 1HB ARG 65 1HB ARG 65 -0.123 1.863 4.414 520 2HB ARG 65 2HB ARG 65 1.131 0.701 4.717 521 1HG ARG 65 2HG ARG 65 2.657 2.257 5.267 522 2HG ARG 65 1HG ARG 65 2.561 2.967 3.682 523 1HD ARG 65 1HD ARG 65 0.502 4.319 4.465 524 2HD ARG 65 2HD ARG 65 0.783 3.670 6.101 525 1HH1 ARG 65 2HH2 ARG 65 0.693 5.431 7.084 526 2HH1 ARG 65 1HH2 ARG 65 1.569 6.911 7.745 527 1HH2 ARG 65 1HH1 ARG 65 4.026 6.496 5.444 528 2HH2 ARG 65 2HH1 ARG 65 3.386 7.492 6.869 529 H ILE 66 H ILE 66 -0.295 1.669 0.076 530 HA ILE 66 HA ILE 66 -0.996 3.368 -0.673 531 HB ILE 66 HB ILE 66 -3.379 2.334 0.825 532 1HG1 ILE 66 1HG1 ILE 66 -4.088 1.151 -1.096 533 2HG1 ILE 66 2HG1 ILE 66 -2.841 1.855 -2.091 534 1HG2 ILE 66 3HG2 ILE 66 -4.020 4.610 -0.056 535 2HG2 ILE 66 1HG2 ILE 66 -3.507 4.144 -1.684 536 3HG2 ILE 66 2HG2 ILE 66 -4.891 3.348 -0.894 537 1HD1 ILE 66 1HD1 ILE 66 -2.287 -0.159 0.195 538 2HD1 ILE 66 2HD1 ILE 66 -2.523 -0.629 -1.484 539 3HD1 ILE 66 3HD1 ILE 66 -1.123 0.361 -1.047 540 H VAL 67 H VAL 67 0.302 4.989 0.210 541 HA VAL 67 HA VAL 67 -0.892 7.024 1.963 542 HB VAL 67 HB VAL 67 0.945 8.480 1.131 543 1HG1 VAL 67 3HG2 VAL 67 1.131 7.255 3.257 544 2HG1 VAL 67 1HG2 VAL 67 1.757 5.820 2.427 545 3HG1 VAL 67 2HG2 VAL 67 2.705 7.324 2.476 546 1HG2 VAL 67 2HG1 VAL 67 1.605 7.600 -1.073 547 2HG2 VAL 67 3HG1 VAL 67 2.970 7.558 0.046 548 3HG2 VAL 67 1HG1 VAL 67 2.107 6.058 -0.343 549 H PHE 68 H PHE 68 -0.499 7.217 -1.577 550 HA PHE 68 HA PHE 68 -1.741 8.362 -3.234 551 1HB PHE 68 1HB PHE 68 -3.330 6.607 -2.228 552 2HB PHE 68 2HB PHE 68 -4.089 7.891 -1.338 553 HD1 PHE 68 HD1 PHE 68 -3.477 6.501 -4.751 554 HD2 PHE 68 HD2 PHE 68 -5.672 9.406 -2.462 555 HE1 PHE 68 HE1 PHE 68 -5.042 6.803 -6.626 556 HE2 PHE 68 HE2 PHE 68 -7.245 9.683 -4.350 557 HZ PHE 68 HZ PHE 68 -6.926 8.394 -6.427 558 H ARG 69 H ARG 69 -0.823 10.382 -3.256 559 HA ARG 69 HA ARG 69 -1.783 12.612 -1.519 560 1HB ARG 69 1HB ARG 69 0.094 12.632 -3.954 561 2HB ARG 69 2HB ARG 69 -0.208 13.995 -2.900 562 1HG ARG 69 1HG ARG 69 0.704 12.663 -0.904 563 2HG ARG 69 2HG ARG 69 1.101 11.343 -1.992 564 1HD ARG 69 1HD ARG 69 2.591 12.885 -3.350 565 2HD ARG 69 2HD ARG 69 2.237 14.222 -2.270 566 1HH1 ARG 69 2HH2 ARG 69 2.318 14.455 -0.187 567 2HH1 ARG 69 1HH2 ARG 69 3.421 14.367 1.289 568 1HH2 ARG 69 1HH1 ARG 69 5.140 11.804 -0.120 569 2HH2 ARG 69 2HH1 ARG 69 4.947 12.946 1.318 570 H SER 70 H SER 70 -4.056 12.061 -2.320 571 HA SER 70 HA SER 70 -5.013 14.456 -3.872 572 1HB SER 70 1HB SER 70 -4.530 12.898 -5.750 573 2HB SER 70 2HB SER 70 -5.510 11.636 -5.022 574 HG SER 70 HG SER 70 -6.411 14.195 -5.932 575 H ARG 71 H ARG 71 -6.713 11.425 -3.197 576 HA ARG 71 HA ARG 71 -8.630 12.923 -1.334 577 1HB ARG 71 1HB ARG 71 -9.383 11.698 -3.484 578 2HB ARG 71 2HB ARG 71 -8.935 10.178 -2.715 579 1HG ARG 71 1HG ARG 71 -10.633 10.611 -0.886 580 2HG ARG 71 2HG ARG 71 -10.992 12.175 -1.583 581 1HD ARG 71 1HD ARG 71 -12.751 10.695 -2.252 582 2HD ARG 71 2HD ARG 71 -11.859 11.049 -3.711 583 1HH1 ARG 71 2HH2 ARG 71 -10.608 10.026 -4.906 584 2HH1 ARG 71 1HH2 ARG 71 -10.150 8.412 -5.685 585 1HH2 ARG 71 1HH1 ARG 71 -11.439 6.767 -3.025 586 2HH2 ARG 71 2HH1 ARG 71 -10.569 6.638 -4.647 No H/Q in entry = 586 Start of MODEL 6 1 1H ALA 1 1H ALA 1 23.539 4.562 3.877 2 2H ALA 1 2H ALA 1 22.156 4.606 4.749 3 HA ALA 1 HA ALA 1 23.097 6.789 4.632 4 1HB ALA 1 2HB ALA 1 24.410 6.355 2.550 5 2HB ALA 1 3HB ALA 1 22.920 6.369 1.572 6 3HB ALA 1 1HB ALA 1 23.470 7.852 2.388 7 H LYS 2 H LYS 2 20.475 5.813 2.371 8 HA LYS 2 HA LYS 2 18.856 8.280 3.105 9 1HB LYS 2 1HB LYS 2 18.257 5.982 1.156 10 2HB LYS 2 2HB LYS 2 17.147 7.290 1.503 11 1HG LYS 2 1HG LYS 2 18.868 8.997 0.723 12 2HG LYS 2 2HG LYS 2 19.960 7.681 0.295 13 1HD LYS 2 1HD LYS 2 18.220 6.760 -1.313 14 2HD LYS 2 2HD LYS 2 17.122 8.074 -0.874 15 1HE LYS 2 1HE LYS 2 18.840 9.780 -1.708 16 2HE LYS 2 2HE LYS 2 19.922 8.457 -2.164 17 1HZ LYS 2 1HZ LYS 2 17.153 8.840 -3.218 18 2HZ LYS 2 2HZ LYS 2 18.137 7.604 -3.629 19 H GLU 3 H GLU 3 18.572 7.880 5.341 20 HA GLU 3 HA GLU 3 16.957 5.579 6.324 21 1HB GLU 3 1HB GLU 3 18.110 8.130 7.626 22 2HB GLU 3 2HB GLU 3 17.231 6.910 8.498 23 1HG GLU 3 1HG GLU 3 18.939 5.135 7.870 24 2HG GLU 3 2HG GLU 3 19.862 6.341 6.984 25 HE1 GLU 3 HE2 GLU 3 19.934 6.268 10.969 26 H ASP 4 H ASP 4 15.387 6.524 4.539 27 HA ASP 4 HA ASP 4 12.928 7.382 6.124 28 1HB ASP 4 1HB ASP 4 13.728 9.472 5.355 29 2HB ASP 4 2HB ASP 4 14.054 8.931 3.702 30 HD2 ASP 4 HD2 ASP 4 10.943 9.771 2.648 31 H ASN 5 H ASN 5 11.013 7.109 5.066 32 HA ASN 5 HA ASN 5 10.839 4.398 3.687 33 1HB ASN 5 1HB ASN 5 8.635 6.215 4.861 34 2HB ASN 5 2HB ASN 5 8.302 4.732 3.984 35 1HD2 ASN 5 1HD2 ASN 5 8.183 3.696 7.445 36 2HD2 ASN 5 2HD2 ASN 5 7.238 4.744 6.252 37 H ILE 6 H ILE 6 10.499 4.157 1.521 38 HA ILE 6 HA ILE 6 10.128 6.541 -0.233 39 HB ILE 6 HB ILE 6 10.393 3.697 -1.316 40 1HG1 ILE 6 1HG1 ILE 6 12.782 5.040 -0.026 41 2HG1 ILE 6 2HG1 ILE 6 11.931 3.596 0.391 42 1HG2 ILE 6 2HG2 ILE 6 10.173 5.695 -2.914 43 2HG2 ILE 6 3HG2 ILE 6 11.681 6.375 -2.246 44 3HG2 ILE 6 1HG2 ILE 6 11.691 4.840 -3.143 45 1HD1 ILE 6 2HD1 ILE 6 12.561 2.412 -1.731 46 2HD1 ILE 6 3HD1 ILE 6 13.555 3.811 -2.210 47 3HD1 ILE 6 1HD1 ILE 6 13.974 2.871 -0.758 48 H GLU 7 H GLU 7 8.580 6.606 -1.733 49 HA GLU 7 HA GLU 7 6.157 4.843 -1.448 50 1HB GLU 7 1HB GLU 7 4.552 6.353 -2.437 51 2HB GLU 7 2HB GLU 7 5.149 6.783 -0.864 52 1HG GLU 7 2HG GLU 7 6.627 8.382 -1.917 53 2HG GLU 7 1HG GLU 7 6.178 7.856 -3.531 54 HE2 GLU 7 HE2 GLU 7 3.345 9.817 -3.654 55 H MET 8 H MET 8 5.352 3.818 -2.948 56 HA MET 8 HA MET 8 7.072 3.150 -5.366 57 1HB MET 8 1HB MET 8 8.819 3.351 -3.569 58 2HB MET 8 2HB MET 8 7.950 2.288 -2.493 59 1HG MET 8 1HG MET 8 8.404 0.369 -3.903 60 2HG MET 8 2HG MET 8 8.948 1.482 -5.188 61 1HE MET 8 3HE MET 8 10.429 -1.129 -3.859 62 2HE MET 8 2HE MET 8 11.270 -0.262 -5.189 63 3HE MET 8 1HE MET 8 12.130 -0.612 -3.661 64 H GLN 9 H GLN 9 4.881 2.765 -5.585 65 HA GLN 9 HA GLN 9 3.399 0.723 -4.163 66 1HB GLN 9 1HB GLN 9 1.539 1.924 -5.081 67 2HB GLN 9 2HB GLN 9 2.715 2.595 -4.126 68 1HG GLN 9 1HG GLN 9 1.766 4.199 -5.770 69 2HG GLN 9 2HG GLN 9 3.343 4.288 -5.011 70 1HE2 GLN 9 2HE2 GLN 9 3.112 3.586 -9.077 71 2HE2 GLN 9 1HE2 GLN 9 1.708 3.125 -7.972 72 H GLY 10 H GLY 10 1.405 0.649 -6.241 73 1HA GLY 10 2HA GLY 10 2.024 -0.829 -8.607 74 2HA GLY 10 1HA GLY 10 2.192 -2.067 -7.407 75 H THR 11 H THR 11 0.599 -3.553 -7.875 76 HA THR 11 HA THR 11 -2.165 -2.539 -8.828 77 HB THR 11 HB THR 11 -0.818 -5.278 -9.482 78 HG1 THR 11 HG1 THR 11 0.205 -3.428 -10.478 79 1HG2 THR 11 2HG2 THR 11 -3.291 -3.857 -10.720 80 2HG2 THR 11 3HG2 THR 11 -2.563 -5.375 -11.293 81 3HG2 THR 11 1HG2 THR 11 -3.321 -5.313 -9.690 82 H VAL 12 H VAL 12 -3.804 -3.103 -7.500 83 HA VAL 12 HA VAL 12 -3.356 -4.466 -4.941 84 HB VAL 12 HB VAL 12 -6.034 -4.408 -6.461 85 1HG1 VAL 12 1HG2 VAL 12 -5.304 -5.121 -3.534 86 2HG1 VAL 12 2HG2 VAL 12 -6.961 -4.805 -4.061 87 3HG1 VAL 12 3HG2 VAL 12 -6.114 -6.161 -4.730 88 1HG2 VAL 12 1HG1 VAL 12 -5.342 -2.507 -4.183 89 2HG2 VAL 12 2HG1 VAL 12 -5.636 -2.050 -5.882 90 3HG2 VAL 12 3HG1 VAL 12 -6.922 -2.776 -4.941 91 H LEU 13 H LEU 13 -2.985 -6.906 -4.985 92 HA LEU 13 HA LEU 13 -4.509 -8.595 -7.064 93 1HB LEU 13 1HB LEU 13 -1.942 -9.298 -5.588 94 2HB LEU 13 2HB LEU 13 -2.885 -10.448 -6.514 95 HG LEU 13 HG LEU 13 -1.890 -7.797 -7.743 96 1HD1 LEU 13 3HD1 LEU 13 -0.502 -10.537 -7.790 97 2HD1 LEU 13 1HD1 LEU 13 -0.066 -9.112 -8.768 98 3HD1 LEU 13 2HD1 LEU 13 0.063 -9.031 -6.995 99 1HD2 LEU 13 2HD2 LEU 13 -2.848 -10.418 -9.096 100 2HD2 LEU 13 3HD2 LEU 13 -3.711 -8.858 -9.098 101 3HD2 LEU 13 1HD2 LEU 13 -2.172 -9.006 -9.944 102 H GLU 14 H GLU 14 -4.299 -8.218 -3.577 103 HA GLU 14 HA GLU 14 -7.229 -9.094 -3.781 104 1HB GLU 14 1HB GLU 14 -5.955 -10.930 -2.824 105 2HB GLU 14 2HB GLU 14 -5.248 -9.879 -1.594 106 1HG GLU 14 1HG GLU 14 -6.813 -11.064 -0.475 107 2HG GLU 14 2HG GLU 14 -7.634 -9.569 -0.611 108 HE1 GLU 14 HE2 GLU 14 -10.067 -10.758 -2.810 109 H THR 15 H THR 15 -8.403 -8.329 -2.202 110 HA THR 15 HA THR 15 -7.920 -5.458 -0.897 111 HB THR 15 HB THR 15 -10.299 -4.893 -1.150 112 HG1 THR 15 HG1 THR 15 -10.986 -7.034 -1.813 113 1HG2 THR 15 2HG2 THR 15 -8.377 -4.078 -2.693 114 2HG2 THR 15 3HG2 THR 15 -9.018 -5.179 -3.903 115 3HG2 THR 15 1HG2 THR 15 -10.025 -3.825 -3.294 116 H LEU 16 H LEU 16 -7.553 -6.643 0.978 117 HA LEU 16 HA LEU 16 -8.727 -9.123 1.765 118 1HB LEU 16 1HB LEU 16 -7.065 -6.714 2.902 119 2HB LEU 16 2HB LEU 16 -7.611 -7.871 3.983 120 HG LEU 16 HG LEU 16 -5.533 -8.428 3.599 121 1HD1 LEU 16 2HD2 LEU 16 -6.882 -10.634 3.570 122 2HD1 LEU 16 3HD2 LEU 16 -6.965 -10.516 1.791 123 3HD1 LEU 16 1HD2 LEU 16 -5.410 -10.757 2.585 124 1HD2 LEU 16 3HD1 LEU 16 -5.087 -7.222 1.578 125 2HD2 LEU 16 1HD1 LEU 16 -4.394 -8.839 1.510 126 3HD2 LEU 16 2HD1 LEU 16 -5.886 -8.467 0.593 127 HA PRO 17 HA PRO 17 -12.565 -8.808 3.998 128 1HB PRO 17 2HB PRO 17 -11.903 -9.564 6.645 129 2HB PRO 17 1HB PRO 17 -12.167 -10.654 5.262 130 1HG PRO 17 2HG PRO 17 -9.666 -9.509 6.533 131 2HG PRO 17 1HG PRO 17 -10.042 -11.218 6.134 132 1HD PRO 17 2HD PRO 17 -8.701 -9.761 4.564 133 2HD PRO 17 1HD PRO 17 -9.968 -10.787 3.783 134 H ASN 18 H ASN 18 -10.291 -6.725 5.777 135 HA ASN 18 HA ASN 18 -12.559 -4.863 6.641 136 1HB ASN 18 1HB ASN 18 -9.638 -5.046 7.273 137 2HB ASN 18 2HB ASN 18 -10.551 -3.611 7.605 138 1HD2 ASN 18 1HD2 ASN 18 -10.545 -5.356 10.704 139 2HD2 ASN 18 2HD2 ASN 18 -9.307 -4.586 9.593 140 H THR 19 H THR 19 -9.650 -3.396 5.564 141 HA THR 19 HA THR 19 -10.309 -3.365 2.621 142 HB THR 19 HB THR 19 -10.620 -0.996 4.364 143 HG1 THR 19 HG1 THR 19 -12.322 -2.570 3.538 144 1HG2 THR 19 3HG2 THR 19 -10.469 -0.994 1.242 145 2HG2 THR 19 1HG2 THR 19 -10.979 0.404 2.211 146 3HG2 THR 19 2HG2 THR 19 -9.299 -0.160 2.294 147 H MET 20 H MET 20 -8.211 -4.619 3.489 148 HA MET 20 HA MET 20 -5.888 -2.877 2.808 149 1HB MET 20 1HB MET 20 -5.938 -5.604 4.288 150 2HB MET 20 2HB MET 20 -4.496 -4.665 3.969 151 1HG MET 20 1HG MET 20 -5.602 -2.695 5.179 152 2HG MET 20 2HG MET 20 -6.911 -3.707 5.545 153 1HE MET 20 3HE MET 20 -5.581 -2.365 7.917 154 2HE MET 20 2HE MET 20 -6.756 -3.692 8.194 155 3HE MET 20 1HE MET 20 -5.193 -3.674 9.070 156 H PHE 21 H PHE 21 -3.934 -3.991 1.742 157 HA PHE 21 HA PHE 21 -5.085 -4.939 -1.027 158 1HB PHE 21 1HB PHE 21 -2.860 -2.994 -0.535 159 2HB PHE 21 2HB PHE 21 -3.665 -3.580 -2.012 160 HD1 PHE 21 HD2 PHE 21 -5.972 -3.331 -2.326 161 HD2 PHE 21 HD1 PHE 21 -4.136 -1.610 0.904 162 HE1 PHE 21 HE2 PHE 21 -8.252 -2.338 -1.594 163 HE2 PHE 21 HE1 PHE 21 -6.508 -1.057 1.722 164 HZ PHE 21 HZ PHE 21 -8.324 -0.764 0.092 165 H ARG 22 H ARG 22 -4.203 -7.057 -1.274 166 HA ARG 22 HA ARG 22 -1.341 -7.769 -0.351 167 1HB ARG 22 1HB ARG 22 -3.389 -9.513 -0.264 168 2HB ARG 22 2HB ARG 22 -2.874 -9.750 -1.910 169 1HG ARG 22 1HG ARG 22 -0.431 -10.040 -0.928 170 2HG ARG 22 2HG ARG 22 -1.193 -10.100 0.652 171 1HD ARG 22 1HD ARG 22 -1.718 -12.021 -1.706 172 2HD ARG 22 2HD ARG 22 -0.720 -12.350 -0.305 173 1HH1 ARG 22 2HH2 ARG 22 -3.452 -12.612 -2.168 174 2HH1 ARG 22 1HH2 ARG 22 -5.098 -13.348 -1.784 175 1HH2 ARG 22 1HH1 ARG 22 -4.451 -13.088 1.527 176 2HH2 ARG 22 2HH1 ARG 22 -5.638 -13.628 0.212 177 H VAL 23 H VAL 23 -0.163 -6.487 -1.617 178 HA VAL 23 HA VAL 23 -1.092 -5.899 -4.464 179 HB VAL 23 HB VAL 23 1.132 -4.280 -3.144 180 1HG1 VAL 23 3HG2 VAL 23 0.359 -3.685 -5.484 181 2HG1 VAL 23 1HG2 VAL 23 -1.274 -3.368 -4.821 182 3HG1 VAL 23 2HG2 VAL 23 0.100 -2.386 -4.331 183 1HG2 VAL 23 1HG1 VAL 23 -1.828 -4.004 -2.565 184 2HG2 VAL 23 2HG1 VAL 23 -0.569 -4.202 -1.332 185 3HG2 VAL 23 3HG1 VAL 23 -0.718 -2.658 -2.207 186 H GLU 24 H GLU 24 0.137 -5.889 -6.188 187 HA GLU 24 HA GLU 24 2.854 -7.369 -6.142 188 1HB GLU 24 2HB GLU 24 0.832 -7.119 -8.328 189 2HB GLU 24 1HB GLU 24 2.227 -6.298 -8.865 190 1HG GLU 24 1HG GLU 24 3.757 -8.274 -8.229 191 2HG GLU 24 2HG GLU 24 2.324 -9.241 -7.953 192 HE2 GLU 24 HE2 GLU 24 1.967 -9.897 -11.271 193 H LEU 25 H LEU 25 4.541 -5.882 -5.654 194 HA LEU 25 HA LEU 25 4.272 -3.124 -5.857 195 1HB LEU 25 1HB LEU 25 6.439 -5.326 -5.461 196 2HB LEU 25 2HB LEU 25 7.120 -3.896 -6.025 197 HG LEU 25 HG LEU 25 5.464 -4.068 -3.549 198 1HD1 LEU 25 2HD2 LEU 25 7.706 -5.195 -3.412 199 2HD1 LEU 25 3HD2 LEU 25 8.525 -3.729 -3.995 200 3HD1 LEU 25 1HD2 LEU 25 7.724 -3.740 -2.401 201 1HD2 LEU 25 2HD1 LEU 25 7.066 -1.634 -4.671 202 2HD2 LEU 25 3HD1 LEU 25 5.307 -1.706 -4.428 203 3HD2 LEU 25 1HD1 LEU 25 6.386 -1.715 -3.032 204 H GLU 26 H GLU 26 6.374 -2.033 -6.915 205 HA GLU 26 HA GLU 26 6.014 -1.996 -9.925 206 1HB GLU 26 1HB GLU 26 7.666 -0.068 -9.906 207 2HB GLU 26 2HB GLU 26 6.166 0.181 -9.056 208 1HG GLU 26 1HG GLU 26 8.061 1.239 -7.868 209 2HG GLU 26 2HG GLU 26 7.217 0.094 -6.855 210 HE2 GLU 26 HE2 GLU 26 9.956 -1.816 -6.273 211 H ASN 27 H ASN 27 8.269 -3.551 -7.803 212 HA ASN 27 HA ASN 27 10.057 -4.373 -10.115 213 1HB ASN 27 2HB ASN 27 11.487 -5.153 -8.326 214 2HB ASN 27 1HB ASN 27 11.091 -3.483 -8.019 215 1HD2 ASN 27 1HD2 ASN 27 11.038 -5.073 -4.817 216 2HD2 ASN 27 2HD2 ASN 27 12.216 -4.490 -6.089 217 H GLY 28 H GLY 28 7.081 -5.341 -9.227 218 1HA GLY 28 1HA GLY 28 5.900 -7.364 -9.684 219 2HA GLY 28 2HA GLY 28 7.403 -8.111 -10.123 220 H HIS 29 H HIS 29 7.566 -6.933 -6.895 221 HA HIS 29 HA HIS 29 7.292 -9.754 -5.806 222 1HB HIS 29 1HB HIS 29 9.291 -8.383 -5.362 223 2HB HIS 29 2HB HIS 29 8.315 -7.118 -4.619 224 HD2 HIS 29 HD2 HIS 29 8.187 -7.173 -2.090 225 HE1 HIS 29 HE1 HIS 29 9.741 -10.990 -1.396 226 HE2 HIS 29 HE2 HIS 29 9.159 -8.786 -0.180 227 H VAL 30 H VAL 30 5.980 -10.266 -4.071 228 HA VAL 30 HA VAL 30 3.317 -8.783 -4.047 229 HB VAL 30 HB VAL 30 4.021 -11.700 -3.542 230 1HG1 VAL 30 1HG2 VAL 30 1.358 -10.397 -2.692 231 2HG1 VAL 30 2HG2 VAL 30 1.661 -12.157 -2.832 232 3HG1 VAL 30 3HG2 VAL 30 2.539 -11.200 -1.626 233 1HG2 VAL 30 2HG1 VAL 30 3.380 -10.884 -5.878 234 2HG2 VAL 30 3HG1 VAL 30 2.178 -12.029 -5.237 235 3HG2 VAL 30 1HG1 VAL 30 1.837 -10.277 -5.240 236 H VAL 31 H VAL 31 2.896 -7.553 -2.569 237 HA VAL 31 HA VAL 31 4.092 -7.831 0.263 238 HB VAL 31 HB VAL 31 4.119 -5.406 0.540 239 1HG1 VAL 31 3HG2 VAL 31 6.140 -6.591 -0.364 240 2HG1 VAL 31 1HG2 VAL 31 5.690 -6.083 -1.999 241 3HG1 VAL 31 2HG2 VAL 31 6.075 -4.861 -0.744 242 1HG2 VAL 31 2HG1 VAL 31 2.323 -4.627 -1.024 243 2HG2 VAL 31 3HG1 VAL 31 3.855 -3.765 -1.295 244 3HG2 VAL 31 1HG1 VAL 31 3.345 -5.057 -2.418 245 H THR 32 H THR 32 2.983 -7.256 2.029 246 HA THR 32 HA THR 32 -0.098 -7.229 1.828 247 HB THR 32 HB THR 32 1.791 -7.855 4.173 248 HG1 THR 32 HG1 THR 32 0.392 -9.723 4.119 249 1HG2 THR 32 3HG2 THR 32 -1.276 -7.449 4.335 250 2HG2 THR 32 1HG2 THR 32 -0.276 -8.221 5.608 251 3HG2 THR 32 2HG2 THR 32 -0.045 -6.514 5.197 252 H ALA 33 H ALA 33 -0.834 -5.057 1.595 253 HA ALA 33 HA ALA 33 0.217 -3.076 3.695 254 1HB ALA 33 3HB ALA 33 -0.412 -2.789 0.676 255 2HB ALA 33 1HB ALA 33 0.094 -1.477 1.768 256 3HB ALA 33 2HB ALA 33 1.197 -2.826 1.458 257 H HIS 34 H HIS 34 -0.938 -1.247 4.124 258 HA HIS 34 HA HIS 34 -3.981 -1.506 3.973 259 1HB HIS 34 1HB HIS 34 -4.127 -0.044 6.098 260 2HB HIS 34 2HB HIS 34 -3.931 -1.747 6.266 261 HD2 HIS 34 HD2 HIS 34 -1.979 1.574 6.780 262 HE1 HIS 34 HE1 HIS 34 0.204 -1.383 8.760 263 HE2 HIS 34 HE2 HIS 34 0.127 1.164 8.388 264 H ILE 35 H ILE 35 -5.040 0.380 3.624 265 HA ILE 35 HA ILE 35 -3.480 2.659 2.545 266 HB ILE 35 HB ILE 35 -5.802 3.686 2.659 267 1HG1 ILE 35 1HG1 ILE 35 -7.508 1.303 3.151 268 2HG1 ILE 35 2HG1 ILE 35 -6.590 1.787 4.559 269 1HG2 ILE 35 1HG2 ILE 35 -5.399 1.346 0.897 270 2HG2 ILE 35 2HG2 ILE 35 -7.069 1.964 0.982 271 3HG2 ILE 35 3HG2 ILE 35 -5.759 3.026 0.501 272 1HD1 ILE 35 2HD1 ILE 35 -7.345 4.176 4.326 273 2HD1 ILE 35 3HD1 ILE 35 -8.353 3.719 2.929 274 3HD1 ILE 35 1HD1 ILE 35 -8.713 3.052 4.550 275 H SER 36 H SER 36 -4.476 5.015 3.573 276 HA SER 36 HA SER 36 -3.288 5.053 6.360 277 1HB SER 36 1HB SER 36 -2.434 7.126 5.764 278 2HB SER 36 2HB SER 36 -2.135 6.170 4.365 279 HG SER 36 HG SER 36 -3.041 7.847 3.434 280 H GLY 37 H GLY 37 -4.103 6.422 7.919 281 1HA GLY 37 1HA GLY 37 -7.020 6.768 8.193 282 2HA GLY 37 2HA GLY 37 -5.850 7.488 9.260 283 H LYS 38 H LYS 38 -4.986 8.819 6.363 284 HA LYS 38 HA LYS 38 -6.711 11.192 6.663 285 1HB LYS 38 2HB LYS 38 -4.973 12.338 5.353 286 2HB LYS 38 1HB LYS 38 -4.533 11.848 6.979 287 1HG LYS 38 2HG LYS 38 -3.362 9.871 6.055 288 2HG LYS 38 1HG LYS 38 -3.896 10.315 4.444 289 1HD LYS 38 1HD LYS 38 -2.535 12.469 4.588 290 2HD LYS 38 2HD LYS 38 -2.021 12.070 6.216 291 1HE LYS 38 1HE LYS 38 -1.364 10.372 3.701 292 2HE LYS 38 2HE LYS 38 -0.304 11.610 4.362 293 1HZ LYS 38 1HZ LYS 38 -1.191 9.155 5.787 294 2HZ LYS 38 2HZ LYS 38 -0.320 10.340 6.493 295 H MET 39 H MET 39 -5.670 9.200 3.948 296 HA MET 39 HA MET 39 -7.677 10.527 2.138 297 1HB MET 39 1HB MET 39 -7.145 8.673 0.588 298 2HB MET 39 2HB MET 39 -5.779 9.751 0.930 299 1HG MET 39 2HG MET 39 -4.489 8.092 1.629 300 2HG MET 39 1HG MET 39 -5.726 7.339 2.604 301 1HE MET 39 3HE MET 39 -7.167 5.469 1.996 302 2HE MET 39 2HE MET 39 -8.081 6.372 0.760 303 3HE MET 39 1HE MET 39 -7.423 4.769 0.367 304 H ARG 40 H ARG 40 -7.810 7.349 3.791 305 HA ARG 40 HA ARG 40 -10.020 6.132 2.962 306 1HB ARG 40 1HB ARG 40 -10.824 5.887 5.198 307 2HB ARG 40 2HB ARG 40 -9.130 5.455 4.966 308 1HG ARG 40 2HG ARG 40 -8.440 7.359 6.322 309 2HG ARG 40 1HG ARG 40 -10.051 8.021 6.191 310 1HD ARG 40 1HD ARG 40 -11.000 6.096 7.568 311 2HD ARG 40 2HD ARG 40 -9.371 5.375 7.665 312 1HH1 ARG 40 2HH2 ARG 40 -10.635 5.181 9.684 313 2HH1 ARG 40 1HH2 ARG 40 -10.499 5.713 11.447 314 1HH2 ARG 40 1HH1 ARG 40 -9.062 8.613 10.423 315 2HH2 ARG 40 2HH1 ARG 40 -9.626 7.596 11.869 316 H LYS 41 H LYS 41 -10.370 8.872 4.522 317 HA LYS 41 HA LYS 41 -13.409 9.284 4.101 318 1HB LYS 41 1HB LYS 41 -11.204 10.836 5.691 319 2HB LYS 41 2HB LYS 41 -12.785 11.462 5.537 320 1HG LYS 41 1HG LYS 41 -13.795 9.440 6.672 321 2HG LYS 41 2HG LYS 41 -12.191 8.754 6.874 322 1HD LYS 41 1HD LYS 41 -13.140 11.438 8.087 323 2HD LYS 41 2HD LYS 41 -13.086 9.894 8.927 324 1HE LYS 41 1HE LYS 41 -10.539 9.805 8.550 325 2HE LYS 41 2HE LYS 41 -10.619 11.410 7.820 326 1HZ LYS 41 1HZ LYS 41 -10.117 11.505 10.197 327 2HZ LYS 41 2HZ LYS 41 -11.511 10.741 10.581 328 H ASN 42 H ASN 42 -11.596 9.489 1.937 329 HA ASN 42 HA ASN 42 -13.012 11.670 0.370 330 1HB ASN 42 1HB ASN 42 -10.644 12.439 1.406 331 2HB ASN 42 2HB ASN 42 -9.925 11.256 0.416 332 1HD2 ASN 42 1HD2 ASN 42 -10.264 14.520 -1.163 333 2HD2 ASN 42 2HD2 ASN 42 -11.108 14.295 0.416 334 H TYR 43 H TYR 43 -10.320 9.436 -0.095 335 HA TYR 43 HA TYR 43 -11.673 7.711 -2.180 336 1HB TYR 43 2HB TYR 43 -9.448 8.459 -2.637 337 2HB TYR 43 1HB TYR 43 -8.941 8.028 -1.040 338 HD1 TYR 43 HD2 TYR 43 -10.689 5.072 -2.163 339 HD2 TYR 43 HD1 TYR 43 -7.008 7.279 -2.531 340 HE1 TYR 43 HE2 TYR 43 -9.485 3.026 -2.263 341 HE2 TYR 43 HE1 TYR 43 -5.808 5.159 -2.854 342 HH TYR 43 HH TYR 43 -7.448 2.066 -2.873 343 H ILE 44 H ILE 44 -13.311 7.056 -0.281 344 HA ILE 44 HA ILE 44 -12.712 5.315 1.684 345 HB ILE 44 HB ILE 44 -15.116 4.920 -0.011 346 1HG1 ILE 44 1HG1 ILE 44 -14.757 7.042 2.161 347 2HG1 ILE 44 2HG1 ILE 44 -14.927 7.368 0.464 348 1HG2 ILE 44 2HG2 ILE 44 -14.781 3.202 1.849 349 2HG2 ILE 44 3HG2 ILE 44 -14.749 4.525 3.036 350 3HG2 ILE 44 1HG2 ILE 44 -16.233 4.167 2.122 351 1HD1 ILE 44 1HD1 ILE 44 -17.285 6.423 0.443 352 2HD1 ILE 44 2HD1 ILE 44 -17.191 6.253 2.218 353 3HD1 ILE 44 3HD1 ILE 44 -17.071 7.857 1.473 354 H ARG 45 H ARG 45 -13.902 3.685 -1.206 355 HA ARG 45 HA ARG 45 -11.875 1.561 -0.803 356 1HB ARG 45 1HB ARG 45 -13.586 -0.037 -1.506 357 2HB ARG 45 2HB ARG 45 -14.063 0.956 -0.230 358 1HG ARG 45 1HG ARG 45 -15.612 2.257 -1.736 359 2HG ARG 45 2HG ARG 45 -14.840 1.600 -3.166 360 1HD ARG 45 1HD ARG 45 -16.438 -0.141 -1.166 361 2HD ARG 45 2HD ARG 45 -17.115 0.545 -2.658 362 1HH1 ARG 45 2HH2 ARG 45 -17.547 -1.877 -1.831 363 2HH1 ARG 45 1HH2 ARG 45 -17.298 -3.599 -2.448 364 1HH2 ARG 45 1HH1 ARG 45 -14.524 -2.587 -4.109 365 2HH2 ARG 45 2HH1 ARG 45 -15.646 -3.997 -3.684 366 H ILE 46 H ILE 46 -11.967 0.020 -2.311 367 HA ILE 46 HA ILE 46 -11.467 0.505 -5.234 368 HB ILE 46 HB ILE 46 -9.088 -0.310 -5.239 369 1HG1 ILE 46 1HG1 ILE 46 -8.812 1.068 -2.511 370 2HG1 ILE 46 2HG1 ILE 46 -9.190 -0.620 -2.582 371 1HG2 ILE 46 3HG2 ILE 46 -9.751 2.569 -4.483 372 2HG2 ILE 46 1HG2 ILE 46 -8.193 2.041 -5.143 373 3HG2 ILE 46 2HG2 ILE 46 -9.690 1.865 -6.097 374 1HD1 ILE 46 2HD1 ILE 46 -6.908 0.338 -4.374 375 2HD1 ILE 46 3HD1 ILE 46 -6.649 0.026 -2.612 376 3HD1 ILE 46 1HD1 ILE 46 -7.290 -1.239 -3.673 377 H LEU 47 H LEU 47 -10.278 -1.460 -6.217 378 HA LEU 47 HA LEU 47 -11.918 -3.903 -5.348 379 1HB LEU 47 1HB LEU 47 -13.062 -2.529 -7.176 380 2HB LEU 47 2HB LEU 47 -11.667 -2.769 -8.207 381 HG LEU 47 HG LEU 47 -12.146 -5.248 -8.294 382 1HD1 LEU 47 3HD1 LEU 47 -14.668 -4.526 -6.626 383 2HD1 LEU 47 1HD1 LEU 47 -14.376 -6.090 -7.421 384 3HD1 LEU 47 2HD1 LEU 47 -13.342 -5.577 -6.080 385 1HD2 LEU 47 3HD2 LEU 47 -13.091 -3.705 -10.019 386 2HD2 LEU 47 1HD2 LEU 47 -14.198 -5.051 -9.703 387 3HD2 LEU 47 2HD2 LEU 47 -14.545 -3.443 -9.025 388 H THR 48 H THR 48 -11.145 -5.864 -6.524 389 HA THR 48 HA THR 48 -8.206 -6.249 -5.987 390 HB THR 48 HB THR 48 -10.406 -8.114 -6.737 391 HG1 THR 48 HG1 THR 48 -10.060 -7.099 -4.540 392 1HG2 THR 48 2HG2 THR 48 -7.477 -8.778 -6.166 393 2HG2 THR 48 3HG2 THR 48 -8.780 -9.981 -6.025 394 3HG2 THR 48 1HG2 THR 48 -8.404 -9.246 -7.602 395 H GLY 49 H GLY 49 -7.473 -4.804 -7.402 396 1HA GLY 49 1HA GLY 49 -5.785 -5.306 -9.420 397 2HA GLY 49 2HA GLY 49 -7.229 -5.558 -10.406 398 H ASP 50 H ASP 50 -7.017 -3.127 -7.957 399 HA ASP 50 HA ASP 50 -7.058 -0.865 -9.971 400 1HB ASP 50 1HB ASP 50 -7.849 -1.128 -7.094 401 2HB ASP 50 2HB ASP 50 -7.679 0.411 -7.835 402 HD1 ASP 50 HD2 ASP 50 -10.488 -1.177 -9.975 403 H LYS 51 H LYS 51 -5.635 0.887 -9.833 404 HA LYS 51 HA LYS 51 -3.058 0.568 -8.766 405 1HB LYS 51 1HB LYS 51 -4.166 3.160 -9.826 406 2HB LYS 51 2HB LYS 51 -2.490 2.663 -9.674 407 1HG LYS 51 2HG LYS 51 -4.630 1.543 -11.477 408 2HG LYS 51 1HG LYS 51 -3.135 2.333 -11.943 409 1HD LYS 51 2HD LYS 51 -2.208 0.028 -10.657 410 2HD LYS 51 1HD LYS 51 -3.746 -0.548 -11.227 411 1HE LYS 51 1HE LYS 51 -3.122 0.191 -13.621 412 2HE LYS 51 2HE LYS 51 -1.522 0.652 -13.021 413 1HZ LYS 51 1HZ LYS 51 -2.719 -2.086 -12.874 414 2HZ LYS 51 2HZ LYS 51 -1.299 -1.704 -12.189 415 H VAL 52 H VAL 52 -2.431 0.761 -7.058 416 HA VAL 52 HA VAL 52 -3.431 2.621 -4.803 417 HB VAL 52 HB VAL 52 -2.431 0.841 -3.280 418 1HG1 VAL 52 3HG2 VAL 52 -4.870 0.917 -3.837 419 2HG1 VAL 52 1HG2 VAL 52 -4.585 -0.258 -5.144 420 3HG1 VAL 52 2HG2 VAL 52 -4.310 -0.731 -3.450 421 1HG2 VAL 52 2HG1 VAL 52 -0.926 -0.472 -4.807 422 2HG2 VAL 52 3HG1 VAL 52 -2.070 -1.406 -3.805 423 3HG2 VAL 52 1HG1 VAL 52 -2.394 -1.190 -5.530 424 H THR 53 H THR 53 -1.806 3.232 -3.066 425 HA THR 53 HA THR 53 0.922 3.598 -4.147 426 HB THR 53 HB THR 53 -0.207 6.094 -2.816 427 HG1 THR 53 HG1 THR 53 -0.968 5.731 -5.014 428 1HG2 THR 53 1HG2 THR 53 2.537 5.441 -2.875 429 2HG2 THR 53 2HG2 THR 53 2.397 6.133 -4.476 430 3HG2 THR 53 3HG2 THR 53 1.977 7.093 -3.060 431 H VAL 54 H VAL 54 2.010 2.346 -3.017 432 HA VAL 54 HA VAL 54 1.316 1.709 -0.228 433 HB VAL 54 HB VAL 54 3.074 -0.224 -1.787 434 1HG1 VAL 54 3HG2 VAL 54 1.939 -0.724 0.410 435 2HG1 VAL 54 1HG2 VAL 54 0.381 -0.771 -0.409 436 3HG1 VAL 54 2HG2 VAL 54 1.642 -1.963 -0.804 437 1HG2 VAL 54 1HG1 VAL 54 1.384 0.202 -3.746 438 2HG2 VAL 54 2HG1 VAL 54 1.582 -1.436 -3.160 439 3HG2 VAL 54 3HG1 VAL 54 0.145 -0.454 -2.712 440 H GLU 55 H GLU 55 2.617 3.167 0.819 441 HA GLU 55 HA GLU 55 5.444 3.561 -0.060 442 1HB GLU 55 1HB GLU 55 4.007 5.309 1.296 443 2HB GLU 55 2HB GLU 55 4.369 4.316 2.704 444 1HG GLU 55 2HG GLU 55 6.813 4.790 2.143 445 2HG GLU 55 1HG GLU 55 6.297 5.944 0.946 446 HE2 GLU 55 HE2 GLU 55 5.810 8.414 3.191 447 H LEU 56 H LEU 56 7.275 2.727 1.131 448 HA LEU 56 HA LEU 56 6.952 0.800 3.417 449 1HB LEU 56 1HB LEU 56 7.524 -1.177 2.387 450 2HB LEU 56 2HB LEU 56 6.306 -0.516 1.339 451 HG LEU 56 HG LEU 56 9.293 -0.280 0.878 452 1HD1 LEU 56 2HD1 LEU 56 8.311 -2.715 0.774 453 2HD1 LEU 56 3HD1 LEU 56 7.258 -2.185 -0.534 454 3HD1 LEU 56 1HD1 LEU 56 9.024 -2.196 -0.773 455 1HD2 LEU 56 2HD2 LEU 56 6.979 0.419 -1.008 456 2HD2 LEU 56 3HD2 LEU 56 8.281 1.467 -0.394 457 3HD2 LEU 56 1HD2 LEU 56 8.669 0.194 -1.549 458 H THR 57 H THR 57 9.526 -0.423 3.178 459 HA THR 57 HA THR 57 11.060 1.908 4.305 460 HB THR 57 HB THR 57 12.422 -0.016 5.400 461 HG1 THR 57 HG1 THR 57 9.907 -1.262 5.166 462 1HG2 THR 57 3HG2 THR 57 9.799 0.815 6.656 463 2HG2 THR 57 1HG2 THR 57 11.173 0.000 7.483 464 3HG2 THR 57 2HG2 THR 57 11.394 1.617 6.783 465 HA PRO 58 HA PRO 58 14.711 0.985 1.558 466 1HB PRO 58 1HB PRO 58 15.869 1.151 4.281 467 2HB PRO 58 2HB PRO 58 16.616 1.613 2.763 468 1HG PRO 58 1HG PRO 58 15.402 3.574 4.072 469 2HG PRO 58 2HG PRO 58 14.824 3.396 2.420 470 1HD PRO 58 1HD PRO 58 13.464 2.351 4.991 471 2HD PRO 58 2HD PRO 58 12.722 3.116 3.605 472 H TYR 59 H TYR 59 14.476 -0.660 4.597 473 HA TYR 59 HA TYR 59 16.155 -3.068 3.750 474 1HB TYR 59 1HB TYR 59 16.162 -1.717 6.099 475 2HB TYR 59 2HB TYR 59 14.825 -2.683 6.515 476 HD1 TYR 59 HD1 TYR 59 18.465 -2.738 5.792 477 HD2 TYR 59 HD2 TYR 59 15.086 -5.159 6.898 478 HE1 TYR 59 HE1 TYR 59 19.980 -4.555 6.497 479 HE2 TYR 59 HE2 TYR 59 16.609 -6.958 7.592 480 HH TYR 59 HH TYR 59 18.720 -7.633 7.723 481 H ASP 60 H ASP 60 12.904 -2.632 4.984 482 HA ASP 60 HA ASP 60 12.352 -5.653 4.759 483 1HB ASP 60 1HB ASP 60 12.200 -4.418 6.994 484 2HB ASP 60 2HB ASP 60 10.795 -3.553 6.384 485 HD2 ASP 60 HD2 ASP 60 8.665 -6.120 6.968 486 H LEU 61 H LEU 61 12.303 -5.016 2.413 487 HA LEU 61 HA LEU 61 10.020 -3.954 1.189 488 1HB LEU 61 1HB LEU 61 12.154 -5.967 0.263 489 2HB LEU 61 2HB LEU 61 10.859 -5.532 -0.810 490 HG LEU 61 HG LEU 61 11.425 -3.115 -0.724 491 1HD1 LEU 61 3HD1 LEU 61 13.903 -3.962 0.945 492 2HD1 LEU 61 1HD1 LEU 61 13.677 -2.381 0.165 493 3HD1 LEU 61 2HD1 LEU 61 12.603 -2.864 1.470 494 1HD2 LEU 61 1HD2 LEU 61 12.348 -4.661 -2.477 495 2HD2 LEU 61 2HD2 LEU 61 13.504 -3.359 -2.098 496 3HD2 LEU 61 3HD2 LEU 61 13.766 -5.000 -1.448 497 H SER 62 H SER 62 9.613 -7.007 2.724 498 HA SER 62 HA SER 62 7.430 -7.940 0.930 499 1HB SER 62 1HB SER 62 8.449 -8.716 3.736 500 2HB SER 62 2HB SER 62 7.038 -9.458 3.031 501 HG SER 62 HG SER 62 8.210 -10.255 1.352 502 H LYS 63 H LYS 63 7.222 -5.236 3.020 503 HA LYS 63 HA LYS 63 4.193 -5.555 3.152 504 1HB LYS 63 1HB LYS 63 6.235 -4.580 5.219 505 2HB LYS 63 2HB LYS 63 4.595 -4.116 5.300 506 1HG LYS 63 1HG LYS 63 4.883 -7.089 4.927 507 2HG LYS 63 2HG LYS 63 5.656 -6.476 6.344 508 1HD LYS 63 1HD LYS 63 3.497 -5.374 7.102 509 2HD LYS 63 2HD LYS 63 2.699 -5.950 5.636 510 1HE LYS 63 1HE LYS 63 3.140 -8.360 6.323 511 2HE LYS 63 2HE LYS 63 3.967 -7.803 7.785 512 1HZ LYS 63 1HZ LYS 63 1.151 -7.103 7.097 513 2HZ LYS 63 2HZ LYS 63 1.914 -6.694 8.475 514 H GLY 64 H GLY 64 3.244 -3.328 3.760 515 1HA GLY 64 1HA GLY 64 4.450 -0.831 2.775 516 2HA GLY 64 2HA GLY 64 3.549 -1.509 1.473 517 H ARG 65 H ARG 65 2.911 0.988 2.257 518 HA ARG 65 HA ARG 65 0.036 0.483 2.912 519 1HB ARG 65 1HB ARG 65 0.003 1.328 5.042 520 2HB ARG 65 2HB ARG 65 1.682 1.074 5.049 521 1HG ARG 65 1HG ARG 65 1.605 3.113 6.010 522 2HG ARG 65 2HG ARG 65 1.973 3.611 4.375 523 1HD ARG 65 1HD ARG 65 -0.381 4.304 3.984 524 2HD ARG 65 2HD ARG 65 -0.965 3.505 5.416 525 1HH1 ARG 65 2HH2 ARG 65 -0.828 3.774 7.375 526 2HH1 ARG 65 1HH2 ARG 65 -0.766 4.944 8.804 527 1HH2 ARG 65 1HH1 ARG 65 0.711 7.259 6.805 528 2HH2 ARG 65 2HH1 ARG 65 0.087 6.847 8.499 529 H ILE 66 H ILE 66 -0.418 1.862 0.403 530 HA ILE 66 HA ILE 66 -0.758 3.669 -0.265 531 HB ILE 66 HB ILE 66 -3.515 3.021 0.623 532 1HG1 ILE 66 1HG1 ILE 66 -3.641 1.896 -1.640 533 2HG1 ILE 66 2HG1 ILE 66 -1.873 2.058 -1.738 534 1HG2 ILE 66 3HG2 ILE 66 -2.557 4.662 -1.795 535 2HG2 ILE 66 1HG2 ILE 66 -4.228 4.112 -1.494 536 3HG2 ILE 66 2HG2 ILE 66 -3.464 5.261 -0.401 537 1HD1 ILE 66 3HD1 ILE 66 -3.137 0.516 0.569 538 2HD1 ILE 66 1HD1 ILE 66 -2.876 -0.235 -1.043 539 3HD1 ILE 66 2HD1 ILE 66 -1.506 0.348 -0.107 540 H VAL 67 H VAL 67 0.446 5.124 0.768 541 HA VAL 67 HA VAL 67 -0.355 6.757 2.953 542 HB VAL 67 HB VAL 67 1.441 8.396 1.998 543 1HG1 VAL 67 3HG2 VAL 67 1.735 6.958 3.982 544 2HG1 VAL 67 1HG2 VAL 67 2.202 5.592 2.958 545 3HG1 VAL 67 2HG2 VAL 67 3.228 7.049 3.047 546 1HG2 VAL 67 2HG1 VAL 67 1.744 7.581 -0.360 547 2HG2 VAL 67 3HG1 VAL 67 3.241 7.446 0.583 548 3HG2 VAL 67 1HG1 VAL 67 2.264 6.007 0.254 549 H PHE 68 H PHE 68 -0.164 8.437 -0.245 550 HA PHE 68 HA PHE 68 -2.900 9.589 0.370 551 1HB PHE 68 1HB PHE 68 -0.944 10.980 1.528 552 2HB PHE 68 2HB PHE 68 -0.624 11.597 -0.063 553 HD1 PHE 68 HD1 PHE 68 -3.542 10.957 2.288 554 HD2 PHE 68 HD2 PHE 68 -1.838 13.628 -0.618 555 HE1 PHE 68 HE1 PHE 68 -5.313 12.604 2.756 556 HE2 PHE 68 HE2 PHE 68 -3.593 15.275 -0.116 557 HZ PHE 68 HZ PHE 68 -5.337 14.767 1.560 558 H ARG 69 H ARG 69 -3.408 8.319 -1.408 559 HA ARG 69 HA ARG 69 -2.944 9.635 -4.163 560 1HB ARG 69 1HB ARG 69 -2.568 7.175 -3.898 561 2HB ARG 69 2HB ARG 69 -4.214 6.951 -3.312 562 1HG ARG 69 1HG ARG 69 -5.133 7.652 -5.528 563 2HG ARG 69 2HG ARG 69 -3.527 8.012 -6.142 564 1HD ARG 69 1HD ARG 69 -4.258 5.188 -5.090 565 2HD ARG 69 2HD ARG 69 -4.677 5.661 -6.703 566 1HH1 ARG 69 2HH2 ARG 69 -3.747 6.242 -8.354 567 2HH1 ARG 69 1HH2 ARG 69 -2.334 5.955 -9.508 568 1HH2 ARG 69 1HH1 ARG 69 -0.421 4.884 -6.930 569 2HH2 ARG 69 2HH1 ARG 69 -0.543 5.231 -8.740 570 H SER 70 H SER 70 -4.083 11.478 -2.921 571 HA SER 70 HA SER 70 -7.095 11.449 -3.473 572 1HB SER 70 1HB SER 70 -6.843 10.500 -1.224 573 2HB SER 70 2HB SER 70 -5.748 11.787 -0.710 574 HG SER 70 HG SER 70 -8.476 12.216 -1.491 575 H ARG 71 H ARG 71 -5.993 14.009 -1.431 576 HA ARG 71 HA ARG 71 -6.516 16.003 -3.560 577 1HB ARG 71 1HB ARG 71 -5.783 16.122 -0.568 578 2HB ARG 71 2HB ARG 71 -6.015 17.560 -1.499 579 1HG ARG 71 1HG ARG 71 -8.336 17.315 -1.718 580 2HG ARG 71 2HG ARG 71 -8.306 15.569 -1.703 581 1HD ARG 71 1HD ARG 71 -7.705 17.213 0.854 582 2HD ARG 71 2HD ARG 71 -9.340 16.720 0.373 583 1HH1 ARG 71 2HH2 ARG 71 -9.183 16.323 2.636 584 2HH1 ARG 71 1HH2 ARG 71 -9.229 14.893 3.804 585 1HH2 ARG 71 1HH1 ARG 71 -7.647 12.970 1.515 586 2HH2 ARG 71 2HH1 ARG 71 -8.371 13.048 3.219 No H/Q in entry = 586 Start of MODEL 7 1 1H ALA 1 1H ALA 1 12.309 13.739 11.363 2 2H ALA 1 2H ALA 1 13.735 13.265 12.007 3 HA ALA 1 HA ALA 1 12.431 11.345 11.557 4 1HB ALA 1 2HB ALA 1 10.947 12.446 9.894 5 2HB ALA 1 3HB ALA 1 12.258 12.494 8.692 6 3HB ALA 1 1HB ALA 1 11.586 10.936 9.221 7 H LYS 2 H LYS 2 14.924 12.504 9.306 8 HA LYS 2 HA LYS 2 16.870 11.506 8.401 9 1HB LYS 2 1HB LYS 2 16.885 10.035 11.085 10 2HB LYS 2 2HB LYS 2 18.221 10.045 9.955 11 1HG LYS 2 1HG LYS 2 18.422 12.565 10.143 12 2HG LYS 2 2HG LYS 2 17.038 12.590 11.225 13 1HD LYS 2 1HD LYS 2 18.929 12.739 12.644 14 2HD LYS 2 2HD LYS 2 18.301 11.115 12.880 15 1HE LYS 2 1HE LYS 2 20.111 10.191 11.336 16 2HE LYS 2 2HE LYS 2 20.717 11.834 11.062 17 1HZ LYS 2 1HZ LYS 2 21.091 12.007 13.497 18 2HZ LYS 2 2HZ LYS 2 21.958 10.778 12.848 19 H GLU 3 H GLU 3 15.357 8.588 9.738 20 HA GLU 3 HA GLU 3 16.163 7.059 7.201 21 1HB GLU 3 1HB GLU 3 17.055 6.214 9.399 22 2HB GLU 3 2HB GLU 3 15.409 6.010 10.000 23 1HG GLU 3 1HG GLU 3 14.936 4.330 8.179 24 2HG GLU 3 2HG GLU 3 16.546 4.586 7.502 25 HE1 GLU 3 HE2 GLU 3 16.048 2.390 10.805 26 H ASP 4 H ASP 4 14.372 8.458 6.332 27 HA ASP 4 HA ASP 4 11.605 7.841 6.870 28 1HB ASP 4 1HB ASP 4 12.927 9.041 4.348 29 2HB ASP 4 2HB ASP 4 11.238 9.104 4.702 30 HD2 ASP 4 HD2 ASP 4 13.655 11.644 6.508 31 H ASN 5 H ASN 5 10.057 7.142 5.278 32 HA ASN 5 HA ASN 5 10.755 4.326 4.254 33 1HB ASN 5 1HB ASN 5 8.055 5.520 5.117 34 2HB ASN 5 2HB ASN 5 8.240 3.944 4.369 35 1HD2 ASN 5 1HD2 ASN 5 8.189 3.359 8.007 36 2HD2 ASN 5 2HD2 ASN 5 7.080 4.204 6.804 37 H ILE 6 H ILE 6 10.347 3.751 2.038 38 HA ILE 6 HA ILE 6 10.098 6.034 0.157 39 HB ILE 6 HB ILE 6 10.197 3.162 -0.804 40 1HG1 ILE 6 2HG1 ILE 6 12.696 4.307 0.446 41 2HG1 ILE 6 1HG1 ILE 6 11.712 2.977 0.958 42 1HG2 ILE 6 2HG2 ILE 6 10.214 5.137 -2.462 43 2HG2 ILE 6 3HG2 ILE 6 11.753 5.686 -1.751 44 3HG2 ILE 6 1HG2 ILE 6 11.648 4.141 -2.620 45 1HD1 ILE 6 3HD1 ILE 6 12.168 1.641 -1.132 46 2HD1 ILE 6 1HD1 ILE 6 13.314 2.894 -1.667 47 3HD1 ILE 6 2HD1 ILE 6 13.628 1.967 -0.181 48 H GLU 7 H GLU 7 8.610 5.781 -1.629 49 HA GLU 7 HA GLU 7 6.185 4.121 -1.125 50 1HB GLU 7 1HB GLU 7 4.496 5.674 -1.963 51 2HB GLU 7 2HB GLU 7 5.268 6.091 -0.464 52 1HG GLU 7 2HG GLU 7 6.721 7.617 -1.738 53 2HG GLU 7 1HG GLU 7 6.026 7.099 -3.255 54 HE1 GLU 7 HE2 GLU 7 4.258 9.914 -1.043 55 H MET 8 H MET 8 5.647 2.896 -2.254 56 HA MET 8 HA MET 8 6.840 2.605 -5.105 57 1HB MET 8 1HB MET 8 8.706 2.732 -3.315 58 2HB MET 8 2HB MET 8 7.914 1.410 -2.445 59 1HG MET 8 1HG MET 8 8.505 -0.136 -4.030 60 2HG MET 8 2HG MET 8 8.811 1.112 -5.271 61 1HE MET 8 2HE MET 8 11.074 -0.390 -5.716 62 2HE MET 8 1HE MET 8 12.332 -0.677 -4.474 63 3HE MET 8 3HE MET 8 10.727 -1.449 -4.315 64 H GLN 9 H GLN 9 4.259 2.043 -4.750 65 HA GLN 9 HA GLN 9 4.305 -0.864 -5.205 66 1HB GLN 9 1HB GLN 9 3.165 0.251 -3.055 67 2HB GLN 9 2HB GLN 9 1.805 -0.349 -3.960 68 1HG GLN 9 1HG GLN 9 2.304 -2.117 -2.519 69 2HG GLN 9 2HG GLN 9 3.201 -2.645 -3.909 70 1HE2 GLN 9 2HE2 GLN 9 5.479 -1.451 -0.758 71 2HE2 GLN 9 1HE2 GLN 9 4.161 -0.306 -1.247 72 H GLY 10 H GLY 10 1.537 -1.245 -5.695 73 1HA GLY 10 2HA GLY 10 1.760 -0.855 -8.744 74 2HA GLY 10 1HA GLY 10 1.930 -2.457 -8.036 75 H THR 11 H THR 11 0.278 -3.735 -8.055 76 HA THR 11 HA THR 11 -2.471 -2.620 -8.885 77 HB THR 11 HB THR 11 -0.946 -5.230 -9.628 78 HG1 THR 11 HG1 THR 11 -0.594 -3.150 -10.729 79 1HG2 THR 11 2HG2 THR 11 -3.395 -5.823 -9.461 80 2HG2 THR 11 3HG2 THR 11 -3.766 -4.509 -10.620 81 3HG2 THR 11 1HG2 THR 11 -2.774 -5.885 -11.123 82 H VAL 12 H VAL 12 -4.353 -3.525 -7.645 83 HA VAL 12 HA VAL 12 -3.474 -4.252 -4.856 84 HB VAL 12 HB VAL 12 -6.219 -3.968 -6.182 85 1HG1 VAL 12 1HG2 VAL 12 -5.607 -4.964 -3.390 86 2HG1 VAL 12 2HG2 VAL 12 -7.163 -4.214 -3.853 87 3HG1 VAL 12 3HG2 VAL 12 -6.642 -5.713 -4.616 88 1HG2 VAL 12 1HG1 VAL 12 -5.070 -2.211 -4.010 89 2HG2 VAL 12 2HG1 VAL 12 -5.429 -1.770 -5.710 90 3HG2 VAL 12 3HG1 VAL 12 -6.729 -2.215 -4.631 91 H LEU 13 H LEU 13 -2.728 -6.910 -5.280 92 HA LEU 13 HA LEU 13 -4.325 -8.555 -7.199 93 1HB LEU 13 1HB LEU 13 -2.565 -9.771 -5.016 94 2HB LEU 13 2HB LEU 13 -3.328 -10.601 -6.338 95 HG LEU 13 HG LEU 13 -1.072 -8.551 -6.602 96 1HD1 LEU 13 3HD2 LEU 13 -1.198 -11.637 -6.961 97 2HD1 LEU 13 1HD2 LEU 13 0.222 -10.654 -7.337 98 3HD1 LEU 13 2HD2 LEU 13 -0.358 -10.759 -5.662 99 1HD2 LEU 13 2HD1 LEU 13 -2.488 -10.194 -8.825 100 2HD2 LEU 13 3HD1 LEU 13 -2.479 -8.418 -8.666 101 3HD2 LEU 13 1HD1 LEU 13 -0.978 -9.278 -9.043 102 H GLU 14 H GLU 14 -4.380 -8.356 -3.681 103 HA GLU 14 HA GLU 14 -7.343 -9.224 -3.793 104 1HB GLU 14 1HB GLU 14 -6.090 -11.093 -2.905 105 2HB GLU 14 2HB GLU 14 -5.180 -10.055 -1.811 106 1HG GLU 14 2HG GLU 14 -6.583 -11.228 -0.463 107 2HG GLU 14 1HG GLU 14 -7.203 -9.647 -0.400 108 HE1 GLU 14 HE2 GLU 14 -10.161 -10.638 -2.136 109 H THR 15 H THR 15 -8.406 -8.528 -2.017 110 HA THR 15 HA THR 15 -7.878 -5.663 -0.879 111 HB THR 15 HB THR 15 -10.372 -5.232 -0.867 112 HG1 THR 15 HG1 THR 15 -10.539 -6.669 -3.240 113 1HG2 THR 15 2HG2 THR 15 -8.707 -4.067 -2.344 114 2HG2 THR 15 3HG2 THR 15 -9.000 -5.269 -3.614 115 3HG2 THR 15 1HG2 THR 15 -10.309 -4.166 -3.097 116 H LEU 16 H LEU 16 -7.242 -6.647 0.894 117 HA LEU 16 HA LEU 16 -8.207 -9.320 1.793 118 1HB LEU 16 1HB LEU 16 -5.947 -7.300 2.326 119 2HB LEU 16 2HB LEU 16 -6.364 -8.306 3.663 120 HG LEU 16 HG LEU 16 -5.545 -9.349 0.943 121 1HD1 LEU 16 2HD1 LEU 16 -3.769 -8.130 1.976 122 2HD1 LEU 16 3HD1 LEU 16 -3.953 -9.015 3.518 123 3HD1 LEU 16 1HD1 LEU 16 -3.383 -9.861 2.047 124 1HD2 LEU 16 3HD2 LEU 16 -6.888 -11.134 2.094 125 2HD2 LEU 16 1HD2 LEU 16 -5.190 -11.561 1.875 126 3HD2 LEU 16 2HD2 LEU 16 -5.757 -11.061 3.486 127 HA PRO 17 HA PRO 17 -11.454 -9.433 4.631 128 1HB PRO 17 2HB PRO 17 -10.087 -9.438 7.162 129 2HB PRO 17 1HB PRO 17 -10.766 -10.801 6.235 130 1HG PRO 17 2HG PRO 17 -8.006 -9.647 6.437 131 2HG PRO 17 1HG PRO 17 -8.520 -11.363 6.341 132 1HD PRO 17 2HD PRO 17 -7.681 -10.164 4.319 133 2HD PRO 17 1HD PRO 17 -9.176 -11.128 4.041 134 H ASN 18 H ASN 18 -9.592 -6.881 6.399 135 HA ASN 18 HA ASN 18 -12.163 -5.329 6.923 136 1HB ASN 18 1HB ASN 18 -9.302 -4.997 7.717 137 2HB ASN 18 2HB ASN 18 -10.496 -3.771 7.997 138 1HD2 ASN 18 1HD2 ASN 18 -10.309 -5.512 11.093 139 2HD2 ASN 18 2HD2 ASN 18 -9.137 -4.589 10.030 140 H THR 19 H THR 19 -9.292 -3.783 5.842 141 HA THR 19 HA THR 19 -10.185 -3.472 2.958 142 HB THR 19 HB THR 19 -10.164 -1.242 4.910 143 HG1 THR 19 HG1 THR 19 -12.070 -2.718 4.262 144 1HG2 THR 19 2HG2 THR 19 -9.175 -0.565 2.536 145 2HG2 THR 19 3HG2 THR 19 -10.636 -1.167 1.805 146 3HG2 THR 19 1HG2 THR 19 -10.716 0.271 2.848 147 H MET 20 H MET 20 -8.130 -4.888 3.629 148 HA MET 20 HA MET 20 -5.747 -3.255 2.978 149 1HB MET 20 1HB MET 20 -6.274 -6.100 4.134 150 2HB MET 20 2HB MET 20 -4.645 -5.542 3.766 151 1HG MET 20 1HG MET 20 -5.119 -3.526 5.263 152 2HG MET 20 2HG MET 20 -6.628 -4.196 5.664 153 1HE MET 20 2HE MET 20 -2.810 -5.450 5.312 154 2HE MET 20 1HE MET 20 -2.873 -4.074 6.451 155 3HE MET 20 3HE MET 20 -2.444 -5.703 7.044 156 H PHE 21 H PHE 21 -3.992 -4.550 1.810 157 HA PHE 21 HA PHE 21 -5.067 -4.976 -1.151 158 1HB PHE 21 1HB PHE 21 -2.804 -3.097 -0.474 159 2HB PHE 21 2HB PHE 21 -3.636 -3.599 -1.980 160 HD1 PHE 21 HD2 PHE 21 -5.913 -3.195 -2.291 161 HD2 PHE 21 HD1 PHE 21 -4.018 -1.899 1.089 162 HE1 PHE 21 HE2 PHE 21 -8.195 -2.273 -1.331 163 HE2 PHE 21 HE1 PHE 21 -6.394 -1.452 1.972 164 HZ PHE 21 HZ PHE 21 -8.188 -0.853 0.409 165 H ARG 22 H ARG 22 -4.183 -7.123 -1.412 166 HA ARG 22 HA ARG 22 -1.364 -7.830 -0.393 167 1HB ARG 22 1HB ARG 22 -3.141 -9.638 -0.207 168 2HB ARG 22 2HB ARG 22 -2.990 -9.750 -1.955 169 1HG ARG 22 2HG ARG 22 -0.520 -10.208 -1.779 170 2HG ARG 22 1HG ARG 22 -0.572 -9.986 -0.039 171 1HD ARG 22 1HD ARG 22 -2.189 -11.973 0.131 172 2HD ARG 22 2HD ARG 22 -2.038 -12.175 -1.619 173 1HH1 ARG 22 2HH2 ARG 22 -0.769 -11.763 1.677 174 2HH1 ARG 22 1HH2 ARG 22 0.678 -12.550 2.509 175 1HH2 ARG 22 1HH1 ARG 22 1.673 -13.845 -0.465 176 2HH2 ARG 22 2HH1 ARG 22 2.020 -13.678 1.344 177 H VAL 23 H VAL 23 -0.088 -6.620 -1.607 178 HA VAL 23 HA VAL 23 -1.055 -5.875 -4.426 179 HB VAL 23 HB VAL 23 1.173 -4.261 -3.193 180 1HG1 VAL 23 3HG2 VAL 23 0.374 -3.684 -5.541 181 2HG1 VAL 23 1HG2 VAL 23 -1.236 -3.385 -4.868 182 3HG1 VAL 23 2HG2 VAL 23 0.141 -2.384 -4.358 183 1HG2 VAL 23 1HG1 VAL 23 -1.793 -4.066 -2.557 184 2HG2 VAL 23 2HG1 VAL 23 -0.509 -4.202 -1.343 185 3HG2 VAL 23 3HG1 VAL 23 -0.738 -2.681 -2.236 186 H GLU 24 H GLU 24 0.053 -5.950 -6.178 187 HA GLU 24 HA GLU 24 2.787 -7.419 -6.198 188 1HB GLU 24 1HB GLU 24 1.003 -8.582 -7.498 189 2HB GLU 24 2HB GLU 24 0.795 -7.176 -8.539 190 1HG GLU 24 1HG GLU 24 3.216 -7.446 -9.325 191 2HG GLU 24 2HG GLU 24 3.435 -8.803 -8.224 192 HE2 GLU 24 HE2 GLU 24 1.798 -9.356 -11.739 193 H LEU 25 H LEU 25 4.223 -5.613 -5.873 194 HA LEU 25 HA LEU 25 4.105 -3.145 -6.379 195 1HB LEU 25 1HB LEU 25 6.063 -5.487 -6.163 196 2HB LEU 25 2HB LEU 25 6.765 -4.431 -7.191 197 HG LEU 25 HG LEU 25 5.598 -3.392 -4.619 198 1HD1 LEU 25 2HD1 LEU 25 6.949 -5.353 -3.942 199 2HD1 LEU 25 3HD1 LEU 25 8.364 -4.733 -4.852 200 3HD1 LEU 25 1HD1 LEU 25 7.733 -3.850 -3.433 201 1HD2 LEU 25 2HD2 LEU 25 7.979 -2.684 -6.446 202 2HD2 LEU 25 3HD2 LEU 25 6.500 -1.701 -6.109 203 3HD2 LEU 25 1HD2 LEU 25 7.721 -1.943 -4.842 204 H GLU 26 H GLU 26 5.967 -2.142 -7.525 205 HA GLU 26 HA GLU 26 5.401 -1.930 -10.537 206 1HB GLU 26 1HB GLU 26 6.610 0.221 -10.583 207 2HB GLU 26 2HB GLU 26 5.174 0.235 -9.599 208 1HG GLU 26 1HG GLU 26 6.811 1.610 -8.498 209 2HG GLU 26 2HG GLU 26 6.545 0.219 -7.482 210 HE1 GLU 26 HE2 GLU 26 10.081 0.813 -9.287 211 H ASN 27 H ASN 27 7.669 -3.168 -8.321 212 HA ASN 27 HA ASN 27 9.668 -3.876 -10.536 213 1HB ASN 27 2HB ASN 27 11.157 -3.230 -9.005 214 2HB ASN 27 1HB ASN 27 10.037 -2.901 -7.771 215 1HD2 ASN 27 2HD2 ASN 27 11.137 -5.910 -6.399 216 2HD2 ASN 27 1HD2 ASN 27 9.823 -4.646 -6.250 217 H GLY 28 H GLY 28 6.794 -5.056 -9.565 218 1HA GLY 28 2HA GLY 28 5.780 -7.170 -9.900 219 2HA GLY 28 1HA GLY 28 7.318 -7.772 -10.438 220 H HIS 29 H HIS 29 7.237 -6.574 -7.161 221 HA HIS 29 HA HIS 29 7.333 -9.508 -6.156 222 1HB HIS 29 1HB HIS 29 8.403 -6.991 -4.778 223 2HB HIS 29 2HB HIS 29 8.405 -8.585 -4.089 224 HD2 HIS 29 HD2 HIS 29 9.566 -8.945 -7.729 225 HE1 HIS 29 HE1 HIS 29 13.009 -8.204 -5.505 226 HE2 HIS 29 HE2 HIS 29 12.208 -8.850 -7.865 227 H VAL 30 H VAL 30 5.829 -10.328 -4.745 228 HA VAL 30 HA VAL 30 3.411 -8.673 -4.241 229 HB VAL 30 HB VAL 30 4.024 -11.640 -3.826 230 1HG1 VAL 30 1HG2 VAL 30 1.341 -10.229 -3.221 231 2HG1 VAL 30 2HG2 VAL 30 1.579 -11.995 -3.331 232 3HG1 VAL 30 3HG2 VAL 30 2.367 -11.079 -2.043 233 1HG2 VAL 30 2HG1 VAL 30 3.608 -10.817 -6.207 234 2HG2 VAL 30 3HG1 VAL 30 2.276 -11.860 -5.663 235 3HG2 VAL 30 1HG1 VAL 30 2.076 -10.089 -5.689 236 H VAL 31 H VAL 31 2.904 -7.665 -2.651 237 HA VAL 31 HA VAL 31 4.188 -8.020 0.141 238 HB VAL 31 HB VAL 31 3.848 -5.564 0.509 239 1HG1 VAL 31 1HG2 VAL 31 6.063 -6.407 -0.293 240 2HG1 VAL 31 2HG2 VAL 31 5.639 -5.888 -1.930 241 3HG1 VAL 31 3HG2 VAL 31 5.734 -4.704 -0.596 242 1HG2 VAL 31 3HG1 VAL 31 1.991 -5.273 -1.324 243 2HG2 VAL 31 1HG1 VAL 31 3.165 -3.981 -1.068 244 3HG2 VAL 31 2HG1 VAL 31 3.344 -5.081 -2.464 245 H THR 32 H THR 32 3.050 -7.029 1.941 246 HA THR 32 HA THR 32 -0.026 -7.370 1.854 247 HB THR 32 HB THR 32 2.054 -7.919 4.089 248 HG1 THR 32 HG1 THR 32 1.342 -9.475 2.466 249 1HG2 THR 32 3HG2 THR 32 -1.031 -7.687 4.406 250 2HG2 THR 32 1HG2 THR 32 0.064 -8.450 5.601 251 3HG2 THR 32 2HG2 THR 32 0.190 -6.717 5.247 252 H ALA 33 H ALA 33 -0.863 -5.226 1.609 253 HA ALA 33 HA ALA 33 0.025 -3.192 3.742 254 1HB ALA 33 3HB ALA 33 -0.826 -2.962 0.776 255 2HB ALA 33 1HB ALA 33 -0.365 -1.639 1.870 256 3HB ALA 33 2HB ALA 33 0.841 -2.869 1.438 257 H HIS 34 H HIS 34 -1.257 -1.626 4.441 258 HA HIS 34 HA HIS 34 -4.299 -1.855 4.049 259 1HB HIS 34 1HB HIS 34 -4.437 -0.185 6.031 260 2HB HIS 34 2HB HIS 34 -4.134 -1.842 6.384 261 HD2 HIS 34 HD2 HIS 34 -2.739 1.623 6.994 262 HE1 HIS 34 HE1 HIS 34 0.221 -0.961 8.400 263 HE2 HIS 34 HE2 HIS 34 -0.459 1.524 8.392 264 H ILE 35 H ILE 35 -5.450 0.212 3.943 265 HA ILE 35 HA ILE 35 -4.037 2.224 2.190 266 HB ILE 35 HB ILE 35 -6.345 3.376 2.681 267 1HG1 ILE 35 1HG1 ILE 35 -7.655 0.739 2.939 268 2HG1 ILE 35 2HG1 ILE 35 -7.114 1.586 4.375 269 1HG2 ILE 35 3HG2 ILE 35 -6.013 1.278 0.551 270 2HG2 ILE 35 1HG2 ILE 35 -7.489 2.254 0.678 271 3HG2 ILE 35 2HG2 ILE 35 -5.939 3.037 0.432 272 1HD1 ILE 35 2HD1 ILE 35 -8.307 3.692 3.713 273 2HD1 ILE 35 3HD1 ILE 35 -8.995 2.888 2.286 274 3HD1 ILE 35 1HD1 ILE 35 -9.454 2.376 3.909 275 H SER 36 H SER 36 -5.221 4.600 3.118 276 HA SER 36 HA SER 36 -3.565 5.326 5.564 277 1HB SER 36 1HB SER 36 -3.296 7.485 4.455 278 2HB SER 36 2HB SER 36 -2.329 6.242 3.714 279 HG SER 36 HG SER 36 -3.472 6.381 1.935 280 H GLY 37 H GLY 37 -5.351 4.942 6.775 281 1HA GLY 37 1HA GLY 37 -8.014 5.313 6.579 282 2HA GLY 37 2HA GLY 37 -7.264 5.782 8.071 283 H LYS 38 H LYS 38 -6.113 8.252 6.797 284 HA LYS 38 HA LYS 38 -8.320 10.021 7.401 285 1HB LYS 38 2HB LYS 38 -5.672 10.813 6.008 286 2HB LYS 38 1HB LYS 38 -6.649 11.788 7.073 287 1HG LYS 38 1HG LYS 38 -5.926 10.311 9.043 288 2HG LYS 38 2HG LYS 38 -4.902 9.388 7.926 289 1HD LYS 38 1HD LYS 38 -3.625 11.502 7.345 290 2HD LYS 38 2HD LYS 38 -4.624 12.420 8.479 291 1HE LYS 38 1HE LYS 38 -3.819 10.932 10.394 292 2HE LYS 38 2HE LYS 38 -2.828 10.005 9.258 293 1HZ LYS 38 1HZ LYS 38 -2.560 12.934 9.775 294 2HZ LYS 38 2HZ LYS 38 -1.668 12.109 8.687 295 H MET 39 H MET 39 -6.776 9.417 4.319 296 HA MET 39 HA MET 39 -8.942 10.899 2.794 297 1HB MET 39 1HB MET 39 -7.285 9.509 0.990 298 2HB MET 39 2HB MET 39 -7.229 11.244 1.321 299 1HG MET 39 1HG MET 39 -5.376 10.725 2.896 300 2HG MET 39 2HG MET 39 -5.454 9.061 2.328 301 1HE MET 39 2HE MET 39 -4.234 8.203 0.247 302 2HE MET 39 1HE MET 39 -5.643 8.789 -0.686 303 3HE MET 39 3HE MET 39 -3.984 9.158 -1.236 304 H ARG 40 H ARG 40 -7.626 7.658 3.085 305 HA ARG 40 HA ARG 40 -9.313 6.313 0.991 306 1HB ARG 40 1HB ARG 40 -7.195 5.418 2.859 307 2HB ARG 40 2HB ARG 40 -7.994 4.512 1.607 308 1HG ARG 40 2HG ARG 40 -6.352 7.033 0.991 309 2HG ARG 40 1HG ARG 40 -5.787 5.405 0.970 310 1HD ARG 40 1HD ARG 40 -7.687 4.868 -0.780 311 2HD ARG 40 2HD ARG 40 -7.953 6.623 -0.836 312 1HH1 ARG 40 2HH2 ARG 40 -8.124 6.130 -2.926 313 2HH1 ARG 40 1HH2 ARG 40 -7.229 6.163 -4.552 314 1HH2 ARG 40 1HH1 ARG 40 -4.247 6.073 -3.030 315 2HH2 ARG 40 2HH1 ARG 40 -5.216 6.162 -4.609 316 H LYS 41 H LYS 41 -9.338 6.368 4.369 317 HA LYS 41 HA LYS 41 -12.061 4.886 4.389 318 1HB LYS 41 1HB LYS 41 -9.713 4.267 6.060 319 2HB LYS 41 2HB LYS 41 -10.987 4.809 7.096 320 1HG LYS 41 1HG LYS 41 -12.468 3.013 6.279 321 2HG LYS 41 2HG LYS 41 -11.463 2.705 4.879 322 1HD LYS 41 1HD LYS 41 -11.146 0.902 6.542 323 2HD LYS 41 2HD LYS 41 -9.657 1.745 6.205 324 1HE LYS 41 1HE LYS 41 -9.648 1.354 8.568 325 2HE LYS 41 2HE LYS 41 -9.900 3.084 8.373 326 1HZ LYS 41 1HZ LYS 41 -12.135 1.138 8.743 327 2HZ LYS 41 2HZ LYS 41 -12.270 2.754 8.712 328 H ASN 42 H ASN 42 -12.227 7.091 3.632 329 HA ASN 42 HA ASN 42 -13.624 8.849 5.685 330 1HB ASN 42 1HB ASN 42 -11.543 9.966 4.677 331 2HB ASN 42 2HB ASN 42 -12.268 9.860 3.087 332 1HD2 ASN 42 1HD2 ASN 42 -12.915 13.158 4.354 333 2HD2 ASN 42 2HD2 ASN 42 -11.489 12.085 4.799 334 H TYR 43 H TYR 43 -13.364 7.918 2.255 335 HA TYR 43 HA TYR 43 -16.251 7.082 2.025 336 1HB TYR 43 1HB TYR 43 -15.654 6.586 -0.209 337 2HB TYR 43 2HB TYR 43 -15.035 8.149 0.110 338 HD1 TYR 43 HD1 TYR 43 -12.408 8.411 0.412 339 HD2 TYR 43 HD2 TYR 43 -14.189 4.756 -1.054 340 HE1 TYR 43 HE1 TYR 43 -10.336 7.824 -0.732 341 HE2 TYR 43 HE2 TYR 43 -12.112 4.213 -2.173 342 HH TYR 43 HH TYR 43 -10.088 4.848 -2.647 343 H ILE 44 H ILE 44 -15.411 4.626 0.825 344 HA ILE 44 HA ILE 44 -14.829 2.877 3.183 345 HB ILE 44 HB ILE 44 -16.102 1.847 0.735 346 1HG1 ILE 44 1HG1 ILE 44 -17.473 3.693 2.680 347 2HG1 ILE 44 2HG1 ILE 44 -17.450 3.741 0.961 348 1HG2 ILE 44 1HG2 ILE 44 -15.421 0.304 2.713 349 2HG2 ILE 44 2HG2 ILE 44 -16.609 1.163 3.709 350 3HG2 ILE 44 3HG2 ILE 44 -17.139 0.214 2.300 351 1HD1 ILE 44 1HD1 ILE 44 -18.936 1.676 0.787 352 2HD1 ILE 44 2HD1 ILE 44 -19.091 1.686 2.564 353 3HD1 ILE 44 3HD1 ILE 44 -19.707 3.053 1.614 354 H ARG 45 H ARG 45 -14.375 1.654 -0.116 355 HA ARG 45 HA ARG 45 -11.477 1.194 0.432 356 1HB ARG 45 2HB ARG 45 -13.264 -0.831 -1.004 357 2HB ARG 45 1HB ARG 45 -11.745 -1.135 -0.228 358 1HG ARG 45 1HG ARG 45 -13.142 -0.615 2.024 359 2HG ARG 45 2HG ARG 45 -14.524 -0.938 0.988 360 1HD ARG 45 1HD ARG 45 -12.203 -2.849 1.651 361 2HD ARG 45 2HD ARG 45 -13.861 -2.985 2.225 362 1HH1 ARG 45 2HH2 ARG 45 -12.401 -4.984 1.777 363 2HH1 ARG 45 1HH2 ARG 45 -12.334 -6.437 0.650 364 1HH2 ARG 45 1HH1 ARG 45 -14.018 -4.705 -1.725 365 2HH2 ARG 45 2HH1 ARG 45 -13.167 -6.282 -1.250 366 H ILE 46 H ILE 46 -10.544 0.014 -1.393 367 HA ILE 46 HA ILE 46 -10.944 1.294 -4.108 368 HB ILE 46 HB ILE 46 -8.577 1.301 -4.651 369 1HG1 ILE 46 1HG1 ILE 46 -7.082 1.984 -2.394 370 2HG1 ILE 46 2HG1 ILE 46 -8.187 0.880 -1.604 371 1HG2 ILE 46 2HG2 ILE 46 -9.775 3.373 -4.232 372 2HG2 ILE 46 3HG2 ILE 46 -9.222 3.302 -2.499 373 3HG2 ILE 46 1HG2 ILE 46 -8.029 3.441 -3.832 374 1HD1 ILE 46 3HD1 ILE 46 -6.661 0.259 -4.220 375 2HD1 ILE 46 1HD1 ILE 46 -6.138 -0.173 -2.561 376 3HD1 ILE 46 2HD1 ILE 46 -7.656 -0.865 -3.248 377 H LEU 47 H LEU 47 -9.889 -0.334 -5.783 378 HA LEU 47 HA LEU 47 -11.681 -2.703 -5.100 379 1HB LEU 47 1HB LEU 47 -12.585 -1.002 -6.774 380 2HB LEU 47 2HB LEU 47 -11.236 -1.364 -7.827 381 HG LEU 47 HG LEU 47 -12.093 -3.731 -8.114 382 1HD1 LEU 47 3HD1 LEU 47 -14.520 -2.720 -6.456 383 2HD1 LEU 47 1HD1 LEU 47 -14.450 -4.253 -7.355 384 3HD1 LEU 47 2HD1 LEU 47 -13.399 -4.004 -5.954 385 1HD2 LEU 47 3HD2 LEU 47 -12.701 -1.934 -9.736 386 2HD2 LEU 47 1HD2 LEU 47 -14.031 -3.087 -9.546 387 3HD2 LEU 47 2HD2 LEU 47 -14.124 -1.494 -8.758 388 H THR 48 H THR 48 -11.254 -4.699 -6.183 389 HA THR 48 HA THR 48 -8.515 -5.636 -5.887 390 HB THR 48 HB THR 48 -10.744 -7.094 -7.200 391 HG1 THR 48 HG1 THR 48 -10.928 -8.014 -5.086 392 1HG2 THR 48 2HG2 THR 48 -8.510 -8.272 -7.466 393 2HG2 THR 48 3HG2 THR 48 -8.246 -8.149 -5.717 394 3HG2 THR 48 1HG2 THR 48 -9.554 -9.176 -6.353 395 H GLY 49 H GLY 49 -7.115 -4.776 -7.048 396 1HA GLY 49 2HA GLY 49 -5.651 -5.176 -9.150 397 2HA GLY 49 1HA GLY 49 -7.080 -4.729 -10.005 398 H ASP 50 H ASP 50 -7.364 -2.650 -7.851 399 HA ASP 50 HA ASP 50 -6.885 -0.440 -9.680 400 1HB ASP 50 1HB ASP 50 -7.545 -0.553 -6.776 401 2HB ASP 50 2HB ASP 50 -7.071 0.951 -7.497 402 HD1 ASP 50 HD2 ASP 50 -10.242 -0.010 -9.502 403 H LYS 51 H LYS 51 -5.387 1.064 -9.897 404 HA LYS 51 HA LYS 51 -2.708 0.617 -9.243 405 1HB LYS 51 1HB LYS 51 -3.790 3.183 -10.389 406 2HB LYS 51 2HB LYS 51 -2.164 2.543 -10.507 407 1HG LYS 51 2HG LYS 51 -4.700 1.418 -11.739 408 2HG LYS 51 1HG LYS 51 -3.266 2.071 -12.546 409 1HD LYS 51 2HD LYS 51 -2.175 -0.073 -11.217 410 2HD LYS 51 1HD LYS 51 -3.791 -0.685 -11.354 411 1HE LYS 51 1HE LYS 51 -3.765 -0.463 -13.853 412 2HE LYS 51 2HE LYS 51 -2.165 0.304 -13.804 413 1HZ LYS 51 1HZ LYS 51 -2.636 -2.406 -12.636 414 2HZ LYS 51 2HZ LYS 51 -2.175 -2.194 -14.196 415 H VAL 52 H VAL 52 -2.549 0.444 -7.372 416 HA VAL 52 HA VAL 52 -2.502 2.670 -5.276 417 HB VAL 52 HB VAL 52 -1.851 0.818 -3.705 418 1HG1 VAL 52 3HG2 VAL 52 -4.347 1.326 -3.848 419 2HG1 VAL 52 1HG2 VAL 52 -4.478 0.072 -5.108 420 3HG1 VAL 52 2HG2 VAL 52 -4.006 -0.367 -3.460 421 1HG2 VAL 52 2HG1 VAL 52 -0.960 -0.864 -5.352 422 2HG2 VAL 52 3HG1 VAL 52 -2.101 -1.509 -4.119 423 3HG2 VAL 52 1HG1 VAL 52 -2.628 -1.263 -5.801 424 H THR 53 H THR 53 -0.687 3.168 -4.206 425 HA THR 53 HA THR 53 2.082 2.181 -4.945 426 HB THR 53 HB THR 53 1.413 5.182 -5.352 427 HG1 THR 53 HG1 THR 53 1.416 4.159 -7.260 428 1HG2 THR 53 2HG2 THR 53 3.541 5.050 -3.938 429 2HG2 THR 53 3HG2 THR 53 4.247 3.930 -5.128 430 3HG2 THR 53 1HG2 THR 53 3.876 5.596 -5.588 431 H VAL 54 H VAL 54 2.655 1.676 -3.130 432 HA VAL 54 HA VAL 54 1.290 2.655 -0.567 433 HB VAL 54 HB VAL 54 2.197 -0.119 -1.448 434 1HG1 VAL 54 3HG2 VAL 54 1.979 -0.433 0.781 435 2HG1 VAL 54 1HG2 VAL 54 0.257 0.058 0.721 436 3HG1 VAL 54 2HG2 VAL 54 0.829 -1.326 -0.189 437 1HG2 VAL 54 1HG1 VAL 54 -0.600 1.067 -1.707 438 2HG2 VAL 54 2HG1 VAL 54 0.362 0.659 -3.059 439 3HG2 VAL 54 3HG1 VAL 54 -0.225 -0.655 -2.072 440 H GLU 55 H GLU 55 2.471 3.111 1.203 441 HA GLU 55 HA GLU 55 5.401 3.428 0.579 442 1HB GLU 55 1HB GLU 55 3.767 5.258 1.775 443 2HB GLU 55 2HB GLU 55 4.100 4.283 3.200 444 1HG GLU 55 1HG GLU 55 6.579 4.761 2.955 445 2HG GLU 55 2HG GLU 55 6.251 5.759 1.551 446 HE1 GLU 55 HE2 GLU 55 5.130 8.437 3.333 447 H LEU 56 H LEU 56 6.978 2.519 1.755 448 HA LEU 56 HA LEU 56 6.279 0.028 3.367 449 1HB LEU 56 1HB LEU 56 7.986 -1.370 2.050 450 2HB LEU 56 2HB LEU 56 6.371 -1.137 1.472 451 HG LEU 56 HG LEU 56 6.936 0.375 -0.141 452 1HD1 LEU 56 3HD2 LEU 56 9.886 0.385 0.565 453 2HD1 LEU 56 1HD2 LEU 56 9.205 1.022 -0.936 454 3HD1 LEU 56 2HD2 LEU 56 8.721 1.732 0.588 455 1HD2 LEU 56 3HD1 LEU 56 7.175 -2.152 -0.627 456 2HD2 LEU 56 1HD1 LEU 56 8.100 -1.143 -1.752 457 3HD2 LEU 56 2HD1 LEU 56 8.912 -1.986 -0.416 458 H THR 57 H THR 57 9.437 -0.076 2.553 459 HA THR 57 HA THR 57 10.475 1.854 4.635 460 HB THR 57 HB THR 57 11.790 -0.487 5.372 461 HG1 THR 57 HG1 THR 57 9.087 -1.187 5.112 462 1HG2 THR 57 2HG2 THR 57 11.029 1.115 7.048 463 2HG2 THR 57 3HG2 THR 57 9.337 0.605 6.814 464 3HG2 THR 57 1HG2 THR 57 10.543 -0.534 7.486 465 HA PRO 58 HA PRO 58 14.584 1.671 2.505 466 1HB PRO 58 1HB PRO 58 15.538 1.320 5.282 467 2HB PRO 58 2HB PRO 58 16.277 2.203 3.965 468 1HG PRO 58 1HG PRO 58 14.771 3.625 5.624 469 2HG PRO 58 2HG PRO 58 14.335 3.818 3.931 470 1HD PRO 58 1HD PRO 58 12.922 2.005 6.005 471 2HD PRO 58 2HD PRO 58 12.216 3.082 4.868 472 H TYR 59 H TYR 59 14.313 -0.591 5.126 473 HA TYR 59 HA TYR 59 16.006 -2.740 3.736 474 1HB TYR 59 1HB TYR 59 16.268 -1.805 6.261 475 2HB TYR 59 2HB TYR 59 14.992 -2.860 6.648 476 HD1 TYR 59 HD2 TYR 59 18.485 -2.729 5.314 477 HD2 TYR 59 HD1 TYR 59 15.374 -5.315 6.776 478 HE1 TYR 59 HE2 TYR 59 20.100 -4.574 5.509 479 HE2 TYR 59 HE1 TYR 59 17.008 -7.152 6.971 480 HH TYR 59 HH TYR 59 20.398 -6.713 6.028 481 H ASP 60 H ASP 60 12.936 -2.719 5.462 482 HA ASP 60 HA ASP 60 12.410 -5.624 4.647 483 1HB ASP 60 1HB ASP 60 12.481 -4.792 7.084 484 2HB ASP 60 2HB ASP 60 10.993 -3.895 6.769 485 HD2 ASP 60 HD2 ASP 60 9.013 -6.600 7.252 486 H LEU 61 H LEU 61 12.090 -4.380 2.457 487 HA LEU 61 HA LEU 61 9.614 -3.244 1.784 488 1HB LEU 61 1HB LEU 61 11.630 -4.888 0.119 489 2HB LEU 61 2HB LEU 61 10.251 -4.118 -0.605 490 HG LEU 61 HG LEU 61 11.013 -1.840 0.194 491 1HD1 LEU 61 3HD1 LEU 61 13.587 -3.327 1.036 492 2HD1 LEU 61 1HD1 LEU 61 13.458 -1.566 0.780 493 3HD1 LEU 61 2HD1 LEU 61 12.527 -2.319 2.062 494 1HD2 LEU 61 1HD2 LEU 61 11.449 -2.733 -2.110 495 2HD2 LEU 61 2HD2 LEU 61 12.779 -1.686 -1.562 496 3HD2 LEU 61 3HD2 LEU 61 12.979 -3.460 -1.549 497 H SER 62 H SER 62 9.380 -6.250 2.934 498 HA SER 62 HA SER 62 7.390 -7.453 1.049 499 1HB SER 62 1HB SER 62 8.839 -8.817 2.524 500 2HB SER 62 2HB SER 62 8.115 -8.103 3.965 501 HG SER 62 HG SER 62 6.468 -9.364 2.020 502 H LYS 63 H LYS 63 6.915 -4.949 3.466 503 HA LYS 63 HA LYS 63 3.945 -5.127 3.130 504 1HB LYS 63 1HB LYS 63 5.663 -4.600 5.660 505 2HB LYS 63 2HB LYS 63 3.998 -4.267 5.575 506 1HG LYS 63 2HG LYS 63 3.598 -6.336 6.399 507 2HG LYS 63 1HG LYS 63 3.786 -6.704 4.668 508 1HD LYS 63 1HD LYS 63 4.886 -8.299 6.332 509 2HD LYS 63 2HD LYS 63 5.587 -7.859 4.795 510 1HE LYS 63 1HE LYS 63 7.194 -6.263 5.951 511 2HE LYS 63 2HE LYS 63 6.387 -6.527 7.506 512 1HZ LYS 63 1HZ LYS 63 7.679 -8.697 5.918 513 2HZ LYS 63 2HZ LYS 63 7.046 -8.863 7.397 514 H GLY 64 H GLY 64 2.911 -3.195 3.798 515 1HA GLY 64 2HA GLY 64 4.103 -0.597 4.193 516 2HA GLY 64 1HA GLY 64 3.882 -0.699 2.442 517 H ARG 65 H ARG 65 2.654 1.307 2.980 518 HA ARG 65 HA ARG 65 -0.230 0.460 2.984 519 1HB ARG 65 1HB ARG 65 -0.976 1.758 4.774 520 2HB ARG 65 2HB ARG 65 0.565 1.164 5.293 521 1HG ARG 65 1HG ARG 65 0.740 3.244 6.156 522 2HG ARG 65 2HG ARG 65 1.522 3.578 4.629 523 1HD ARG 65 1HD ARG 65 -0.526 4.673 3.733 524 2HD ARG 65 2HD ARG 65 -1.532 4.057 5.015 525 1HH1 ARG 65 2HH2 ARG 65 -1.566 4.240 7.047 526 2HH1 ARG 65 1HH2 ARG 65 -1.600 5.433 8.462 527 1HH2 ARG 65 1HH1 ARG 65 0.353 7.559 6.684 528 2HH2 ARG 65 2HH1 ARG 65 -0.553 7.252 8.266 529 H ILE 66 H ILE 66 -0.839 1.401 0.753 530 HA ILE 66 HA ILE 66 -0.644 3.278 -0.629 531 HB ILE 66 HB ILE 66 -3.523 3.225 0.387 532 1HG1 ILE 66 1HG1 ILE 66 -4.184 1.641 -1.280 533 2HG1 ILE 66 2HG1 ILE 66 -2.621 1.637 -2.032 534 1HG2 ILE 66 3HG2 ILE 66 -2.454 4.058 -2.407 535 2HG2 ILE 66 1HG2 ILE 66 -4.177 3.848 -2.000 536 3HG2 ILE 66 2HG2 ILE 66 -3.250 5.109 -1.220 537 1HD1 ILE 66 1HD1 ILE 66 -3.299 0.401 0.689 538 2HD1 ILE 66 2HD1 ILE 66 -3.011 -0.455 -0.873 539 3HD1 ILE 66 3HD1 ILE 66 -1.701 0.299 -0.039 540 H VAL 67 H VAL 67 0.523 5.030 0.061 541 HA VAL 67 HA VAL 67 -0.897 7.423 1.165 542 HB VAL 67 HB VAL 67 1.283 8.496 0.904 543 1HG1 VAL 67 3HG2 VAL 67 0.721 7.378 3.059 544 2HG1 VAL 67 1HG2 VAL 67 1.494 5.887 2.507 545 3HG1 VAL 67 2HG2 VAL 67 2.468 7.353 2.757 546 1HG2 VAL 67 2HG1 VAL 67 2.327 7.324 -1.011 547 2HG2 VAL 67 3HG1 VAL 67 3.392 7.313 0.410 548 3HG2 VAL 67 1HG1 VAL 67 2.493 5.843 -0.048 549 H PHE 68 H PHE 68 -0.061 6.358 -2.093 550 HA PHE 68 HA PHE 68 -1.044 9.055 -3.204 551 1HB PHE 68 1HB PHE 68 1.401 8.862 -3.304 552 2HB PHE 68 2HB PHE 68 1.339 7.298 -4.065 553 HD1 PHE 68 HD2 PHE 68 0.346 10.913 -4.636 554 HD2 PHE 68 HD1 PHE 68 1.441 7.177 -6.462 555 HE1 PHE 68 HE2 PHE 68 0.380 11.991 -6.855 556 HE2 PHE 68 HE1 PHE 68 1.460 8.261 -8.664 557 HZ PHE 68 HZ PHE 68 0.928 10.666 -8.868 558 H ARG 69 H ARG 69 -2.149 9.114 -5.061 559 HA ARG 69 HA ARG 69 -3.685 6.625 -5.941 560 1HB ARG 69 1HB ARG 69 -4.984 8.665 -5.224 561 2HB ARG 69 2HB ARG 69 -4.150 9.630 -6.429 562 1HG ARG 69 1HG ARG 69 -6.190 9.242 -7.465 563 2HG ARG 69 2HG ARG 69 -5.195 8.058 -8.263 564 1HD ARG 69 1HD ARG 69 -7.163 7.511 -5.939 565 2HD ARG 69 2HD ARG 69 -7.495 7.261 -7.648 566 1HH1 ARG 69 2HH2 ARG 69 -8.515 5.540 -7.065 567 2HH1 ARG 69 1HH2 ARG 69 -8.477 3.717 -6.828 568 1HH2 ARG 69 1HH1 ARG 69 -5.096 3.787 -6.663 569 2HH2 ARG 69 2HH1 ARG 69 -6.639 2.776 -6.572 570 H SER 70 H SER 70 -2.714 5.553 -7.556 571 HA SER 70 HA SER 70 -0.964 7.035 -9.595 572 1HB SER 70 1HB SER 70 -1.084 4.027 -8.968 573 2HB SER 70 2HB SER 70 0.069 4.837 -10.021 574 HG SER 70 HG SER 70 -0.275 5.807 -7.409 575 H ARG 71 H ARG 71 -4.210 5.943 -9.730 576 HA ARG 71 HA ARG 71 -4.152 4.929 -12.480 577 1HB ARG 71 1HB ARG 71 -6.489 4.789 -12.276 578 2HB ARG 71 2HB ARG 71 -5.818 4.255 -10.770 579 1HG ARG 71 1HG ARG 71 -6.495 6.404 -9.654 580 2HG ARG 71 2HG ARG 71 -7.077 7.061 -11.174 581 1HD ARG 71 1HD ARG 71 -8.794 5.130 -11.317 582 2HD ARG 71 2HD ARG 71 -8.200 4.549 -9.771 583 1HH1 ARG 71 2HH2 ARG 71 -9.451 7.009 -11.992 584 2HH1 ARG 71 1HH2 ARG 71 -10.680 8.357 -11.711 585 1HH2 ARG 71 1HH1 ARG 71 -10.585 7.764 -8.376 586 2HH2 ARG 71 2HH1 ARG 71 -11.293 8.771 -9.753 No H/Q in entry = 586 Start of MODEL 8 1 1H ALA 1 1H ALA 1 19.812 0.244 1.348 2 2H ALA 1 2H ALA 1 18.589 1.201 1.849 3 HA ALA 1 HA ALA 1 18.548 -0.779 3.119 4 1HB ALA 1 2HB ALA 1 20.921 -1.401 2.661 5 2HB ALA 1 3HB ALA 1 21.503 -0.120 3.755 6 3HB ALA 1 1HB ALA 1 20.585 -1.501 4.399 7 H LYS 2 H LYS 2 20.264 2.103 4.440 8 HA LYS 2 HA LYS 2 18.092 2.261 6.640 9 1HB LYS 2 1HB LYS 2 21.088 2.757 7.078 10 2HB LYS 2 2HB LYS 2 19.831 3.034 8.255 11 1HG LYS 2 1HG LYS 2 20.665 0.279 7.154 12 2HG LYS 2 2HG LYS 2 21.110 0.967 8.706 13 1HD LYS 2 1HD LYS 2 18.601 1.015 9.344 14 2HD LYS 2 2HD LYS 2 18.259 0.179 7.825 15 1HE LYS 2 1HE LYS 2 19.871 -1.708 8.574 16 2HE LYS 2 2HE LYS 2 20.050 -0.873 10.127 17 1HZ LYS 2 1HZ LYS 2 18.295 -2.556 10.201 18 2HZ LYS 2 2HZ LYS 2 17.494 -1.872 8.960 19 H GLU 3 H GLU 3 17.144 3.745 4.936 20 HA GLU 3 HA GLU 3 18.056 6.626 5.401 21 1HB GLU 3 1HB GLU 3 18.658 5.368 3.157 22 2HB GLU 3 2HB GLU 3 16.931 5.371 2.826 23 1HG GLU 3 1HG GLU 3 17.073 8.004 3.118 24 2HG GLU 3 2HG GLU 3 18.813 7.787 3.255 25 HE1 GLU 3 HE2 GLU 3 16.965 7.427 -0.266 26 H ASP 4 H ASP 4 15.650 6.746 3.674 27 HA ASP 4 HA ASP 4 13.522 7.041 5.915 28 1HB ASP 4 1HB ASP 4 14.068 9.201 5.267 29 2HB ASP 4 2HB ASP 4 14.016 8.897 3.520 30 HD2 ASP 4 HD2 ASP 4 10.929 10.247 3.441 31 H ASN 5 H ASN 5 11.447 6.692 5.414 32 HA ASN 5 HA ASN 5 11.023 4.046 4.079 33 1HB ASN 5 1HB ASN 5 8.945 5.954 5.368 34 2HB ASN 5 2HB ASN 5 8.558 4.364 4.738 35 1HD2 ASN 5 1HD2 ASN 5 8.932 3.560 8.188 36 2HD2 ASN 5 2HD2 ASN 5 7.743 4.094 6.893 37 H ILE 6 H ILE 6 10.366 3.800 1.813 38 HA ILE 6 HA ILE 6 9.949 6.302 0.234 39 HB ILE 6 HB ILE 6 10.103 3.559 -1.053 40 1HG1 ILE 6 1HG1 ILE 6 12.591 4.732 0.213 41 2HG1 ILE 6 2HG1 ILE 6 11.745 3.263 0.542 42 1HG2 ILE 6 2HG2 ILE 6 9.887 5.668 -2.504 43 2HG2 ILE 6 3HG2 ILE 6 11.416 6.276 -1.822 44 3HG2 ILE 6 1HG2 ILE 6 11.381 4.819 -2.839 45 1HD1 ILE 6 2HD1 ILE 6 12.249 2.288 -1.729 46 2HD1 ILE 6 3HD1 ILE 6 13.249 3.716 -2.102 47 3HD1 ILE 6 1HD1 ILE 6 13.710 2.627 -0.775 48 H GLU 7 H GLU 7 8.375 6.238 -1.479 49 HA GLU 7 HA GLU 7 6.062 4.392 -1.075 50 1HB GLU 7 1HB GLU 7 4.282 5.791 -1.926 51 2HB GLU 7 2HB GLU 7 4.985 6.316 -0.427 52 1HG GLU 7 2HG GLU 7 6.197 7.988 -1.549 53 2HG GLU 7 1HG GLU 7 5.916 7.367 -3.155 54 HE1 GLU 7 HE2 GLU 7 2.723 8.714 -3.526 55 H MET 8 H MET 8 5.533 3.204 -2.284 56 HA MET 8 HA MET 8 6.672 2.998 -5.116 57 1HB MET 8 1HB MET 8 8.726 3.253 -3.729 58 2HB MET 8 2HB MET 8 8.159 2.094 -2.539 59 1HG MET 8 1HG MET 8 8.488 0.263 -4.022 60 2HG MET 8 2HG MET 8 8.594 1.407 -5.384 61 1HE MET 8 3HE MET 8 10.639 -1.023 -4.788 62 2HE MET 8 2HE MET 8 10.804 0.067 -6.200 63 3HE MET 8 1HE MET 8 12.212 -0.249 -5.143 64 H GLN 9 H GLN 9 4.261 2.292 -4.802 65 HA GLN 9 HA GLN 9 4.473 -0.606 -5.152 66 1HB GLN 9 1HB GLN 9 3.323 0.378 -2.976 67 2HB GLN 9 2HB GLN 9 1.959 -0.214 -3.896 68 1HG GLN 9 1HG GLN 9 2.468 -2.053 -2.569 69 2HG GLN 9 2HG GLN 9 3.452 -2.481 -3.932 70 1HE2 GLN 9 2HE2 GLN 9 5.502 -1.387 -0.608 71 2HE2 GLN 9 1HE2 GLN 9 4.249 -0.209 -1.164 72 H GLY 10 H GLY 10 1.740 -1.165 -5.652 73 1HA GLY 10 2HA GLY 10 2.097 -0.835 -8.716 74 2HA GLY 10 1HA GLY 10 2.113 -2.387 -7.894 75 H THR 11 H THR 11 0.355 -3.560 -7.854 76 HA THR 11 HA THR 11 -2.340 -2.263 -8.575 77 HB THR 11 HB THR 11 -1.115 -4.799 -9.858 78 HG1 THR 11 HG1 THR 11 -0.446 -2.652 -10.576 79 1HG2 THR 11 3HG2 THR 11 -3.846 -3.441 -10.397 80 2HG2 THR 11 1HG2 THR 11 -3.137 -4.764 -11.352 81 3HG2 THR 11 2HG2 THR 11 -3.601 -5.053 -9.663 82 H VAL 12 H VAL 12 -3.899 -2.939 -7.281 83 HA VAL 12 HA VAL 12 -3.352 -4.339 -4.835 84 HB VAL 12 HB VAL 12 -6.118 -4.290 -6.237 85 1HG1 VAL 12 1HG2 VAL 12 -5.223 -5.202 -3.455 86 2HG1 VAL 12 2HG2 VAL 12 -6.870 -4.654 -3.742 87 3HG1 VAL 12 3HG2 VAL 12 -6.272 -6.027 -4.636 88 1HG2 VAL 12 1HG1 VAL 12 -5.230 -2.329 -4.058 89 2HG2 VAL 12 2HG1 VAL 12 -5.739 -1.934 -5.718 90 3HG2 VAL 12 3HG1 VAL 12 -6.884 -2.631 -4.599 91 H LEU 13 H LEU 13 -2.907 -6.891 -4.985 92 HA LEU 13 HA LEU 13 -4.283 -8.538 -7.160 93 1HB LEU 13 1HB LEU 13 -2.480 -9.727 -5.003 94 2HB LEU 13 2HB LEU 13 -3.248 -10.555 -6.328 95 HG LEU 13 HG LEU 13 -0.998 -8.496 -6.551 96 1HD1 LEU 13 3HD2 LEU 13 -1.145 -11.553 -7.102 97 2HD1 LEU 13 1HD2 LEU 13 0.285 -10.553 -7.391 98 3HD1 LEU 13 2HD2 LEU 13 -0.315 -10.773 -5.734 99 1HD2 LEU 13 2HD1 LEU 13 -2.454 -9.997 -8.847 100 2HD2 LEU 13 3HD1 LEU 13 -2.412 -8.233 -8.589 101 3HD2 LEU 13 1HD1 LEU 13 -0.931 -9.095 -9.030 102 H GLU 14 H GLU 14 -4.284 -8.416 -3.591 103 HA GLU 14 HA GLU 14 -7.279 -9.142 -3.799 104 1HB GLU 14 1HB GLU 14 -6.044 -11.010 -2.905 105 2HB GLU 14 2HB GLU 14 -5.304 -10.003 -1.656 106 1HG GLU 14 1HG GLU 14 -6.918 -11.183 -0.561 107 2HG GLU 14 2HG GLU 14 -7.664 -9.647 -0.648 108 HE1 GLU 14 HE2 GLU 14 -10.177 -10.642 -2.846 109 H THR 15 H THR 15 -8.424 -8.370 -2.223 110 HA THR 15 HA THR 15 -7.890 -5.534 -0.932 111 HB THR 15 HB THR 15 -10.295 -4.965 -1.114 112 HG1 THR 15 HG1 THR 15 -11.013 -7.072 -1.796 113 1HG2 THR 15 2HG2 THR 15 -8.475 -4.017 -2.593 114 2HG2 THR 15 3HG2 THR 15 -8.900 -5.199 -3.830 115 3HG2 THR 15 1HG2 THR 15 -10.079 -3.953 -3.332 116 H LEU 16 H LEU 16 -7.504 -6.712 0.952 117 HA LEU 16 HA LEU 16 -8.698 -9.159 1.739 118 1HB LEU 16 1HB LEU 16 -6.848 -6.846 2.680 119 2HB LEU 16 2HB LEU 16 -7.438 -7.778 3.888 120 HG LEU 16 HG LEU 16 -5.469 -8.613 3.502 121 1HD1 LEU 16 2HD2 LEU 16 -7.014 -10.703 3.531 122 2HD1 LEU 16 3HD2 LEU 16 -7.039 -10.646 1.748 123 3HD1 LEU 16 1HD2 LEU 16 -5.528 -10.978 2.589 124 1HD2 LEU 16 3HD1 LEU 16 -4.940 -7.506 1.446 125 2HD2 LEU 16 1HD1 LEU 16 -4.379 -9.179 1.406 126 3HD2 LEU 16 2HD1 LEU 16 -5.848 -8.702 0.500 127 HA PRO 17 HA PRO 17 -12.381 -8.985 4.207 128 1HB PRO 17 1HB PRO 17 -11.712 -9.263 6.926 129 2HB PRO 17 2HB PRO 17 -11.614 -10.581 5.736 130 1HG PRO 17 1HG PRO 17 -9.551 -8.559 6.772 131 2HG PRO 17 2HG PRO 17 -9.485 -10.317 6.903 132 1HD PRO 17 1HD PRO 17 -8.378 -9.184 5.004 133 2HD PRO 17 2HD PRO 17 -9.376 -10.572 4.459 134 H ASN 18 H ASN 18 -10.488 -6.868 6.423 135 HA ASN 18 HA ASN 18 -12.657 -4.861 6.660 136 1HB ASN 18 1HB ASN 18 -9.770 -4.806 7.445 137 2HB ASN 18 2HB ASN 18 -10.891 -3.522 7.758 138 1HD2 ASN 18 1HD2 ASN 18 -10.864 -5.256 10.829 139 2HD2 ASN 18 2HD2 ASN 18 -10.492 -3.706 9.925 140 H THR 19 H THR 19 -9.622 -3.547 5.635 141 HA THR 19 HA THR 19 -10.255 -3.380 2.695 142 HB THR 19 HB THR 19 -10.479 -1.051 4.498 143 HG1 THR 19 HG1 THR 19 -12.258 -2.455 3.627 144 1HG2 THR 19 3HG2 THR 19 -10.230 -0.966 1.379 145 2HG2 THR 19 1HG2 THR 19 -10.678 0.426 2.386 146 3HG2 THR 19 2HG2 THR 19 -9.041 -0.236 2.485 147 H MET 20 H MET 20 -8.249 -4.767 3.521 148 HA MET 20 HA MET 20 -5.832 -3.100 2.957 149 1HB MET 20 1HB MET 20 -6.008 -5.898 4.289 150 2HB MET 20 2HB MET 20 -4.540 -4.988 4.057 151 1HG MET 20 1HG MET 20 -5.598 -3.091 5.388 152 2HG MET 20 2HG MET 20 -6.977 -4.024 5.616 153 1HE MET 20 3HE MET 20 -7.321 -5.722 7.530 154 2HE MET 20 2HE MET 20 -6.467 -6.876 6.456 155 3HE MET 20 1HE MET 20 -6.025 -6.766 8.185 156 H PHE 21 H PHE 21 -3.942 -4.432 1.889 157 HA PHE 21 HA PHE 21 -5.041 -5.040 -1.024 158 1HB PHE 21 1HB PHE 21 -2.736 -3.182 -0.365 159 2HB PHE 21 2HB PHE 21 -3.522 -3.725 -1.878 160 HD1 PHE 21 HD2 PHE 21 -5.792 -3.368 -2.262 161 HD2 PHE 21 HD1 PHE 21 -3.996 -1.863 1.089 162 HE1 PHE 21 HE2 PHE 21 -8.074 -2.358 -1.487 163 HE2 PHE 21 HE1 PHE 21 -6.381 -1.270 1.884 164 HZ PHE 21 HZ PHE 21 -8.152 -0.901 0.268 165 H ARG 22 H ARG 22 -4.152 -7.241 -1.282 166 HA ARG 22 HA ARG 22 -1.307 -7.909 -0.377 167 1HB ARG 22 2HB ARG 22 -3.309 -9.662 -0.427 168 2HB ARG 22 1HB ARG 22 -2.874 -9.726 -2.106 169 1HG ARG 22 2HG ARG 22 -1.493 -11.344 -1.268 170 2HG ARG 22 1HG ARG 22 -0.363 -10.040 -1.312 171 1HD ARG 22 1HD ARG 22 0.025 -11.028 0.827 172 2HD ARG 22 2HD ARG 22 -0.909 -9.582 1.205 173 1HH1 ARG 22 2HH2 ARG 22 -0.838 -10.285 3.178 174 2HH1 ARG 22 1HH2 ARG 22 -1.797 -11.103 4.530 175 1HH2 ARG 22 1HH1 ARG 22 -3.516 -12.892 2.227 176 2HH2 ARG 22 2HH1 ARG 22 -3.234 -12.546 4.023 177 H VAL 23 H VAL 23 0.007 -6.700 -1.552 178 HA VAL 23 HA VAL 23 -0.951 -5.854 -4.358 179 HB VAL 23 HB VAL 23 1.282 -4.317 -3.041 180 1HG1 VAL 23 3HG2 VAL 23 0.624 -3.649 -5.377 181 2HG1 VAL 23 1HG2 VAL 23 -1.042 -3.421 -4.812 182 3HG1 VAL 23 2HG2 VAL 23 0.264 -2.383 -4.182 183 1HG2 VAL 23 1HG1 VAL 23 -1.712 -3.997 -2.578 184 2HG2 VAL 23 2HG1 VAL 23 -0.555 -4.326 -1.275 185 3HG2 VAL 23 3HG1 VAL 23 -0.576 -2.736 -2.064 186 H GLU 24 H GLU 24 0.144 -5.910 -6.089 187 HA GLU 24 HA GLU 24 2.839 -7.457 -6.174 188 1HB GLU 24 1HB GLU 24 1.018 -8.467 -7.538 189 2HB GLU 24 2HB GLU 24 0.842 -6.989 -8.481 190 1HG GLU 24 1HG GLU 24 3.229 -7.287 -9.330 191 2HG GLU 24 2HG GLU 24 3.435 -8.709 -8.310 192 HE2 GLU 24 HE2 GLU 24 1.827 -9.072 -11.838 193 H LEU 25 H LEU 25 4.409 -5.831 -5.887 194 HA LEU 25 HA LEU 25 4.276 -3.202 -6.271 195 1HB LEU 25 1HB LEU 25 6.329 -5.464 -6.048 196 2HB LEU 25 2HB LEU 25 7.015 -4.277 -6.997 197 HG LEU 25 HG LEU 25 5.711 -3.636 -4.407 198 1HD1 LEU 25 2HD2 LEU 25 7.451 -5.335 -3.940 199 2HD1 LEU 25 3HD2 LEU 25 8.693 -4.359 -4.770 200 3HD1 LEU 25 1HD2 LEU 25 7.938 -3.776 -3.264 201 1HD2 LEU 25 2HD1 LEU 25 7.991 -2.154 -5.975 202 2HD2 LEU 25 3HD1 LEU 25 6.321 -1.553 -5.781 203 3HD2 LEU 25 1HD1 LEU 25 7.386 -1.664 -4.381 204 H GLU 26 H GLU 26 6.125 -2.146 -7.473 205 HA GLU 26 HA GLU 26 5.417 -1.942 -10.430 206 1HB GLU 26 1HB GLU 26 6.788 0.081 -10.541 207 2HB GLU 26 2HB GLU 26 5.624 0.217 -9.241 208 1HG GLU 26 1HG GLU 26 7.466 -0.268 -7.530 209 2HG GLU 26 2HG GLU 26 8.634 -0.435 -8.837 210 HE1 GLU 26 HE2 GLU 26 7.336 3.162 -7.709 211 H ASN 27 H ASN 27 7.867 -3.512 -8.518 212 HA ASN 27 HA ASN 27 9.438 -4.237 -11.010 213 1HB ASN 27 2HB ASN 27 11.106 -4.915 -9.437 214 2HB ASN 27 1HB ASN 27 10.651 -3.284 -9.020 215 1HD2 ASN 27 1HD2 ASN 27 11.113 -4.945 -5.894 216 2HD2 ASN 27 2HD2 ASN 27 12.025 -4.107 -7.245 217 H GLY 28 H GLY 28 6.605 -5.300 -9.825 218 1HA GLY 28 1HA GLY 28 5.468 -7.375 -10.142 219 2HA GLY 28 2HA GLY 28 6.949 -8.066 -10.711 220 H HIS 29 H HIS 29 7.338 -6.902 -7.566 221 HA HIS 29 HA HIS 29 7.214 -9.720 -6.393 222 1HB HIS 29 1HB HIS 29 8.452 -7.091 -5.364 223 2HB HIS 29 2HB HIS 29 8.306 -8.492 -4.346 224 HD2 HIS 29 HD2 HIS 29 9.866 -7.852 -7.946 225 HE1 HIS 29 HE1 HIS 29 12.322 -10.507 -5.865 226 HE2 HIS 29 HE2 HIS 29 12.117 -9.271 -8.122 227 H VAL 30 H VAL 30 5.835 -10.453 -4.815 228 HA VAL 30 HA VAL 30 3.434 -8.786 -4.236 229 HB VAL 30 HB VAL 30 4.065 -11.732 -3.766 230 1HG1 VAL 30 1HG2 VAL 30 1.419 -10.280 -3.089 231 2HG1 VAL 30 2HG2 VAL 30 1.645 -12.053 -3.149 232 3HG1 VAL 30 3HG2 VAL 30 2.499 -11.093 -1.930 233 1HG2 VAL 30 1HG1 VAL 30 2.055 -10.222 -5.596 234 2HG2 VAL 30 2HG1 VAL 30 3.546 -11.002 -6.151 235 3HG2 VAL 30 3HG1 VAL 30 2.220 -11.997 -5.510 236 H VAL 31 H VAL 31 2.995 -7.748 -2.636 237 HA VAL 31 HA VAL 31 4.357 -8.090 0.121 238 HB VAL 31 HB VAL 31 4.125 -5.625 0.467 239 1HG1 VAL 31 3HG2 VAL 31 6.298 -6.525 -0.362 240 2HG1 VAL 31 1HG2 VAL 31 5.846 -6.064 -2.011 241 3HG1 VAL 31 2HG2 VAL 31 6.009 -4.826 -0.733 242 1HG2 VAL 31 2HG1 VAL 31 2.246 -5.262 -1.305 243 2HG2 VAL 31 3HG1 VAL 31 3.493 -4.026 -1.133 244 3HG2 VAL 31 1HG1 VAL 31 3.558 -5.165 -2.507 245 H THR 32 H THR 32 3.280 -7.158 1.946 246 HA THR 32 HA THR 32 0.203 -7.427 1.910 247 HB THR 32 HB THR 32 2.344 -7.877 4.108 248 HG1 THR 32 HG1 THR 32 1.475 -9.891 4.069 249 1HG2 THR 32 3HG2 THR 32 -0.741 -7.772 4.492 250 2HG2 THR 32 1HG2 THR 32 0.411 -8.444 5.688 251 3HG2 THR 32 2HG2 THR 32 0.447 -6.722 5.278 252 H ALA 33 H ALA 33 -0.703 -5.285 1.681 253 HA ALA 33 HA ALA 33 0.195 -3.247 3.801 254 1HB ALA 33 3HB ALA 33 -0.688 -3.014 0.840 255 2HB ALA 33 1HB ALA 33 -0.222 -1.688 1.930 256 3HB ALA 33 2HB ALA 33 0.988 -2.908 1.476 257 H HIS 34 H HIS 34 -1.111 -1.723 4.565 258 HA HIS 34 HA HIS 34 -4.161 -1.961 4.170 259 1HB HIS 34 1HB HIS 34 -4.148 -0.141 6.166 260 2HB HIS 34 2HB HIS 34 -4.237 -1.821 6.462 261 HD2 HIS 34 HD2 HIS 34 -1.707 1.149 6.686 262 HE1 HIS 34 HE1 HIS 34 -0.225 -1.901 9.118 263 HE2 HIS 34 HE2 HIS 34 0.208 0.551 8.450 264 H ILE 35 H ILE 35 -5.323 0.256 4.093 265 HA ILE 35 HA ILE 35 -3.715 2.217 2.493 266 HB ILE 35 HB ILE 35 -5.671 3.526 2.621 267 1HG1 ILE 35 1HG1 ILE 35 -7.546 1.395 3.662 268 2HG1 ILE 35 2HG1 ILE 35 -6.798 2.551 4.752 269 1HG2 ILE 35 1HG2 ILE 35 -5.375 1.584 0.791 270 2HG2 ILE 35 2HG2 ILE 35 -7.007 1.189 1.406 271 3HG2 ILE 35 3HG2 ILE 35 -6.686 2.788 0.759 272 1HD1 ILE 35 2HD1 ILE 35 -8.316 3.500 2.208 273 2HD1 ILE 35 3HD1 ILE 35 -9.071 3.344 3.787 274 3HD1 ILE 35 1HD1 ILE 35 -7.717 4.494 3.543 275 H SER 36 H SER 36 -4.553 4.674 3.553 276 HA SER 36 HA SER 36 -2.857 4.914 6.071 277 1HB SER 36 1HB SER 36 -2.403 7.166 5.230 278 2HB SER 36 2HB SER 36 -1.641 5.917 4.253 279 HG SER 36 HG SER 36 -3.050 6.331 2.643 280 H GLY 37 H GLY 37 -3.814 5.990 7.720 281 1HA GLY 37 1HA GLY 37 -6.637 6.478 8.062 282 2HA GLY 37 2HA GLY 37 -5.423 7.346 8.968 283 H LYS 38 H LYS 38 -4.423 8.606 6.421 284 HA LYS 38 HA LYS 38 -5.909 11.039 6.288 285 1HB LYS 38 1HB LYS 38 -3.917 9.946 4.273 286 2HB LYS 38 2HB LYS 38 -4.379 11.607 4.531 287 1HG LYS 38 2HG LYS 38 -2.701 9.803 6.357 288 2HG LYS 38 1HG LYS 38 -2.278 11.269 5.486 289 1HD LYS 38 1HD LYS 38 -4.126 11.261 7.930 290 2HD LYS 38 2HD LYS 38 -2.407 11.612 7.972 291 1HE LYS 38 1HE LYS 38 -2.732 13.606 6.440 292 2HE LYS 38 2HE LYS 38 -4.474 13.284 6.383 293 1HZ LYS 38 1HZ LYS 38 -4.543 13.540 8.819 294 2HZ LYS 38 2HZ LYS 38 -3.962 14.898 8.118 295 H MET 39 H MET 39 -5.754 8.435 3.916 296 HA MET 39 HA MET 39 -8.030 9.593 2.309 297 1HB MET 39 1HB MET 39 -7.923 7.375 1.048 298 2HB MET 39 2HB MET 39 -6.718 8.601 0.716 299 1HG MET 39 1HG MET 39 -5.068 7.384 1.902 300 2HG MET 39 2HG MET 39 -6.254 6.176 2.397 301 1HE MET 39 3HE MET 39 -3.904 7.548 -0.421 302 2HE MET 39 2HE MET 39 -4.570 6.803 -1.908 303 3HE MET 39 1HE MET 39 -5.480 8.087 -1.082 304 H ARG 40 H ARG 40 -7.693 6.797 4.522 305 HA ARG 40 HA ARG 40 -10.054 5.432 4.316 306 1HB ARG 40 1HB ARG 40 -8.703 6.700 6.815 307 2HB ARG 40 2HB ARG 40 -10.135 5.772 7.016 308 1HG ARG 40 2HG ARG 40 -9.066 3.796 5.842 309 2HG ARG 40 1HG ARG 40 -7.523 4.619 5.943 310 1HD ARG 40 1HD ARG 40 -7.738 4.621 8.508 311 2HD ARG 40 2HD ARG 40 -9.343 3.943 8.358 312 1HH1 ARG 40 2HH2 ARG 40 -5.871 4.015 7.683 313 2HH1 ARG 40 1HH2 ARG 40 -4.640 2.642 7.563 314 1HH2 ARG 40 1HH1 ARG 40 -7.148 0.396 7.769 315 2HH2 ARG 40 2HH1 ARG 40 -5.317 0.680 7.751 316 H LYS 41 H LYS 41 -10.058 8.735 5.368 317 HA LYS 41 HA LYS 41 -13.080 8.709 5.842 318 1HB LYS 41 1HB LYS 41 -10.758 10.278 7.183 319 2HB LYS 41 2HB LYS 41 -12.245 11.103 6.985 320 1HG LYS 41 1HG LYS 41 -12.235 10.181 9.202 321 2HG LYS 41 2HG LYS 41 -13.496 9.351 8.297 322 1HD LYS 41 1HD LYS 41 -11.968 7.371 7.956 323 2HD LYS 41 2HD LYS 41 -10.654 8.212 8.784 324 1HE LYS 41 1HE LYS 41 -12.036 8.286 10.908 325 2HE LYS 41 2HE LYS 41 -13.378 7.480 10.066 326 1HZ LYS 41 1HZ LYS 41 -11.844 5.607 9.598 327 2HZ LYS 41 2HZ LYS 41 -12.062 5.825 11.204 328 H ASN 42 H ASN 42 -11.372 9.296 3.530 329 HA ASN 42 HA ASN 42 -13.008 11.601 2.288 330 1HB ASN 42 1HB ASN 42 -10.516 12.071 2.259 331 2HB ASN 42 2HB ASN 42 -10.234 10.558 1.407 332 1HD2 ASN 42 1HD2 ASN 42 -10.149 13.034 -1.144 333 2HD2 ASN 42 2HD2 ASN 42 -9.131 12.253 0.166 334 H TYR 43 H TYR 43 -11.294 8.724 1.016 335 HA TYR 43 HA TYR 43 -13.926 7.422 0.307 336 1HB TYR 43 1HB TYR 43 -13.024 6.823 -1.658 337 2HB TYR 43 2HB TYR 43 -12.325 8.373 -1.572 338 HD1 TYR 43 HD1 TYR 43 -11.668 4.713 -1.133 339 HD2 TYR 43 HD2 TYR 43 -9.831 8.547 -1.744 340 HE1 TYR 43 HE1 TYR 43 -9.524 3.617 -1.440 341 HE2 TYR 43 HE2 TYR 43 -7.673 7.415 -2.180 342 HH TYR 43 HH TYR 43 -7.438 3.870 -2.080 343 H ILE 44 H ILE 44 -14.113 5.813 2.035 344 HA ILE 44 HA ILE 44 -12.185 4.376 3.218 345 HB ILE 44 HB ILE 44 -14.774 3.110 2.516 346 1HG1 ILE 44 2HG1 ILE 44 -14.233 5.085 4.784 347 2HG1 ILE 44 1HG1 ILE 44 -15.261 5.371 3.414 348 1HG2 ILE 44 1HG2 ILE 44 -13.087 1.563 3.658 349 2HG2 ILE 44 2HG2 ILE 44 -12.981 2.709 5.012 350 3HG2 ILE 44 3HG2 ILE 44 -14.495 1.836 4.679 351 1HD1 ILE 44 3HD1 ILE 44 -16.862 3.532 4.157 352 2HD1 ILE 44 1HD1 ILE 44 -15.911 3.374 5.658 353 3HD1 ILE 44 2HD1 ILE 44 -16.726 4.903 5.284 354 H ARG 45 H ARG 45 -13.865 2.569 0.685 355 HA ARG 45 HA ARG 45 -11.462 0.984 0.194 356 1HB ARG 45 1HB ARG 45 -13.042 -0.648 -0.897 357 2HB ARG 45 2HB ARG 45 -13.312 -0.222 0.720 358 1HG ARG 45 1HG ARG 45 -15.260 1.336 -0.083 359 2HG ARG 45 2HG ARG 45 -14.841 0.932 -1.740 360 1HD ARG 45 1HD ARG 45 -15.387 -1.511 -1.293 361 2HD ARG 45 2HD ARG 45 -15.777 -1.112 0.399 362 1HH1 ARG 45 2HH2 ARG 45 -17.267 -2.678 -0.497 363 2HH1 ARG 45 1HH2 ARG 45 -19.067 -2.843 -0.870 364 1HH2 ARG 45 1HH1 ARG 45 -19.189 0.442 -1.699 365 2HH2 ARG 45 2HH1 ARG 45 -20.122 -1.147 -1.525 366 H ILE 46 H ILE 46 -11.337 -0.153 -1.582 367 HA ILE 46 HA ILE 46 -11.319 0.958 -4.359 368 HB ILE 46 HB ILE 46 -8.876 0.417 -4.783 369 1HG1 ILE 46 1HG1 ILE 46 -7.928 1.785 -2.295 370 2HG1 ILE 46 2HG1 ILE 46 -8.666 0.264 -1.868 371 1HG2 ILE 46 3HG2 ILE 46 -9.804 3.035 -3.606 372 2HG2 ILE 46 1HG2 ILE 46 -8.244 2.813 -4.457 373 3HG2 ILE 46 2HG2 ILE 46 -9.790 2.517 -5.304 374 1HD1 ILE 46 3HD1 ILE 46 -6.628 0.465 -4.161 375 2HD1 ILE 46 1HD1 ILE 46 -6.244 -0.003 -2.461 376 3HD1 ILE 46 2HD1 ILE 46 -7.368 -0.981 -3.442 377 H LEU 47 H LEU 47 -10.121 -0.741 -5.860 378 HA LEU 47 HA LEU 47 -11.923 -3.180 -5.318 379 1HB LEU 47 1HB LEU 47 -11.476 -1.577 -7.908 380 2HB LEU 47 2HB LEU 47 -11.890 -3.257 -7.977 381 HG LEU 47 HG LEU 47 -13.979 -2.823 -6.580 382 1HD1 LEU 47 1HD2 LEU 47 -13.292 0.146 -7.171 383 2HD1 LEU 47 2HD2 LEU 47 -14.884 -0.439 -6.624 384 3HD1 LEU 47 3HD2 LEU 47 -13.480 -0.598 -5.567 385 1HD2 LEU 47 2HD1 LEU 47 -14.021 -3.126 -9.074 386 2HD2 LEU 47 3HD1 LEU 47 -15.244 -1.951 -8.564 387 3HD2 LEU 47 1HD1 LEU 47 -13.732 -1.386 -9.314 388 H THR 48 H THR 48 -11.347 -5.130 -6.364 389 HA THR 48 HA THR 48 -8.516 -5.911 -5.935 390 HB THR 48 HB THR 48 -10.678 -7.551 -7.181 391 HG1 THR 48 HG1 THR 48 -10.188 -6.950 -4.459 392 1HG2 THR 48 2HG2 THR 48 -8.203 -8.342 -5.556 393 2HG2 THR 48 3HG2 THR 48 -9.461 -9.492 -6.072 394 3HG2 THR 48 1HG2 THR 48 -8.450 -8.668 -7.280 395 H GLY 49 H GLY 49 -7.446 -4.627 -7.217 396 1HA GLY 49 1HA GLY 49 -5.873 -5.051 -9.256 397 2HA GLY 49 2HA GLY 49 -7.305 -5.215 -10.268 398 H ASP 50 H ASP 50 -6.947 -2.845 -7.715 399 HA ASP 50 HA ASP 50 -7.012 -0.566 -9.708 400 1HB ASP 50 1HB ASP 50 -7.706 -0.812 -6.818 401 2HB ASP 50 2HB ASP 50 -7.288 0.735 -7.474 402 HD1 ASP 50 HD2 ASP 50 -10.369 -0.280 -9.593 403 H LYS 51 H LYS 51 -5.530 0.992 -9.803 404 HA LYS 51 HA LYS 51 -2.826 0.418 -9.177 405 1HB LYS 51 1HB LYS 51 -3.780 3.042 -10.306 406 2HB LYS 51 2HB LYS 51 -2.201 2.286 -10.434 407 1HG LYS 51 2HG LYS 51 -4.821 1.395 -11.642 408 2HG LYS 51 1HG LYS 51 -3.350 1.904 -12.472 409 1HD LYS 51 2HD LYS 51 -2.486 -0.400 -11.193 410 2HD LYS 51 1HD LYS 51 -4.178 -0.780 -11.319 411 1HE LYS 51 1HE LYS 51 -4.076 -0.328 -13.866 412 2HE LYS 51 2HE LYS 51 -2.327 -0.101 -13.709 413 1HZ LYS 51 1HZ LYS 51 -3.853 -2.557 -12.970 414 2HZ LYS 51 2HZ LYS 51 -2.278 -2.369 -12.637 415 H VAL 52 H VAL 52 -2.533 0.296 -7.340 416 HA VAL 52 HA VAL 52 -2.589 2.519 -5.236 417 HB VAL 52 HB VAL 52 -1.886 0.715 -3.632 418 1HG1 VAL 52 3HG2 VAL 52 -4.369 1.182 -3.841 419 2HG1 VAL 52 1HG2 VAL 52 -4.469 -0.108 -5.073 420 3HG1 VAL 52 2HG2 VAL 52 -4.021 -0.505 -3.407 421 1HG2 VAL 52 2HG1 VAL 52 -0.931 -0.972 -5.273 422 2HG2 VAL 52 3HG1 VAL 52 -2.080 -1.637 -4.053 423 3HG2 VAL 52 1HG1 VAL 52 -2.590 -1.386 -5.734 424 H THR 53 H THR 53 -0.751 3.006 -3.999 425 HA THR 53 HA THR 53 2.036 2.277 -4.872 426 HB THR 53 HB THR 53 1.157 5.250 -5.172 427 HG1 THR 53 HG1 THR 53 1.153 3.399 -6.879 428 1HG2 THR 53 2HG2 THR 53 3.443 5.095 -3.995 429 2HG2 THR 53 3HG2 THR 53 4.035 4.080 -5.332 430 3HG2 THR 53 1HG2 THR 53 3.558 5.756 -5.632 431 H VAL 54 H VAL 54 2.639 1.766 -3.076 432 HA VAL 54 HA VAL 54 1.251 2.626 -0.487 433 HB VAL 54 HB VAL 54 2.223 -0.095 -1.464 434 1HG1 VAL 54 3HG2 VAL 54 2.064 -0.525 0.722 435 2HG1 VAL 54 1HG2 VAL 54 0.355 -0.001 0.768 436 3HG1 VAL 54 2HG2 VAL 54 0.855 -1.367 -0.214 437 1HG2 VAL 54 1HG1 VAL 54 -0.562 1.077 -1.712 438 2HG2 VAL 54 2HG1 VAL 54 0.389 0.616 -3.054 439 3HG2 VAL 54 3HG1 VAL 54 -0.229 -0.663 -2.041 440 H GLU 55 H GLU 55 2.470 3.083 1.315 441 HA GLU 55 HA GLU 55 5.342 3.562 0.576 442 1HB GLU 55 1HB GLU 55 3.703 5.275 1.940 443 2HB GLU 55 2HB GLU 55 4.139 4.253 3.292 444 1HG GLU 55 1HG GLU 55 6.601 4.823 2.936 445 2HG GLU 55 2HG GLU 55 6.140 5.871 1.600 446 HE2 GLU 55 HE2 GLU 55 5.914 7.190 5.265 447 H LEU 56 H LEU 56 6.955 2.589 1.617 448 HA LEU 56 HA LEU 56 6.366 0.067 3.184 449 1HB LEU 56 1HB LEU 56 8.060 -1.279 1.865 450 2HB LEU 56 2HB LEU 56 6.446 -1.087 1.285 451 HG LEU 56 HG LEU 56 6.950 0.348 -0.357 452 1HD1 LEU 56 2HD2 LEU 56 9.817 0.757 0.486 453 2HD1 LEU 56 3HD2 LEU 56 9.265 1.025 -1.179 454 3HD1 LEU 56 1HD2 LEU 56 8.522 1.924 0.128 455 1HD2 LEU 56 3HD1 LEU 56 7.344 -2.129 -0.787 456 2HD2 LEU 56 1HD1 LEU 56 8.334 -1.147 -1.878 457 3HD2 LEU 56 2HD1 LEU 56 9.052 -1.916 -0.436 458 H THR 57 H THR 57 9.437 -0.029 2.385 459 HA THR 57 HA THR 57 10.461 1.978 4.298 460 HB THR 57 HB THR 57 11.545 -0.378 5.398 461 HG1 THR 57 HG1 THR 57 9.643 -1.540 4.716 462 1HG2 THR 57 1HG2 THR 57 11.235 1.568 6.852 463 2HG2 THR 57 2HG2 THR 57 9.466 1.344 6.759 464 3HG2 THR 57 3HG2 THR 57 10.502 0.123 7.543 465 HA PRO 58 HA PRO 58 14.521 1.480 2.330 466 1HB PRO 58 2HB PRO 58 15.550 1.373 5.219 467 2HB PRO 58 1HB PRO 58 16.214 2.018 3.784 468 1HG PRO 58 1HG PRO 58 14.707 3.645 5.342 469 2HG PRO 58 2HG PRO 58 14.138 3.633 3.663 470 1HD PRO 58 2HD PRO 58 13.259 1.689 5.929 471 2HD PRO 58 1HD PRO 58 12.173 2.614 5.139 472 H TYR 59 H TYR 59 14.302 -0.424 5.091 473 HA TYR 59 HA TYR 59 16.225 -2.686 4.127 474 1HB TYR 59 1HB TYR 59 16.367 -1.323 6.485 475 2HB TYR 59 2HB TYR 59 15.098 -2.356 6.992 476 HD1 TYR 59 HD1 TYR 59 18.652 -2.223 5.891 477 HD2 TYR 59 HD2 TYR 59 15.568 -4.784 7.447 478 HE1 TYR 59 HE1 TYR 59 20.344 -3.924 6.475 479 HE2 TYR 59 HE2 TYR 59 17.267 -6.465 8.030 480 HH TYR 59 HH TYR 59 19.420 -7.008 7.959 481 H ASP 60 H ASP 60 13.149 -1.995 5.101 482 HA ASP 60 HA ASP 60 12.195 -4.983 5.176 483 1HB ASP 60 1HB ASP 60 12.148 -3.540 7.303 484 2HB ASP 60 2HB ASP 60 10.833 -2.630 6.607 485 HD2 ASP 60 HD2 ASP 60 8.497 -5.078 7.212 486 H LEU 61 H LEU 61 12.234 -4.554 2.810 487 HA LEU 61 HA LEU 61 9.992 -3.321 1.548 488 1HB LEU 61 1HB LEU 61 11.966 -5.463 0.504 489 2HB LEU 61 2HB LEU 61 10.823 -4.687 -0.543 490 HG LEU 61 HG LEU 61 13.053 -3.817 -0.842 491 1HD1 LEU 61 2HD2 LEU 61 11.117 -2.319 -1.385 492 2HD1 LEU 61 3HD2 LEU 61 11.206 -1.605 0.251 493 3HD1 LEU 61 1HD2 LEU 61 12.545 -1.392 -0.889 494 1HD2 LEU 61 3HD1 LEU 61 13.910 -3.931 1.549 495 2HD2 LEU 61 1HD1 LEU 61 14.234 -2.381 0.738 496 3HD2 LEU 61 2HD1 LEU 61 12.930 -2.487 1.930 497 H SER 62 H SER 62 9.774 -6.602 2.750 498 HA SER 62 HA SER 62 7.671 -7.515 0.984 499 1HB SER 62 1HB SER 62 8.359 -8.212 3.909 500 2HB SER 62 2HB SER 62 7.262 -9.130 2.901 501 HG SER 62 HG SER 62 8.998 -9.433 1.391 502 H LYS 63 H LYS 63 7.209 -4.977 3.307 503 HA LYS 63 HA LYS 63 4.226 -5.196 3.061 504 1HB LYS 63 1HB LYS 63 6.023 -4.555 5.514 505 2HB LYS 63 2HB LYS 63 4.354 -4.232 5.479 506 1HG LYS 63 2HG LYS 63 3.992 -6.269 6.391 507 2HG LYS 63 1HG LYS 63 4.125 -6.700 4.673 508 1HD LYS 63 1HD LYS 63 5.339 -8.206 6.413 509 2HD LYS 63 2HD LYS 63 5.873 -7.884 4.791 510 1HE LYS 63 1HE LYS 63 7.828 -7.850 6.346 511 2HE LYS 63 2HE LYS 63 7.619 -6.256 5.634 512 1HZ LYS 63 1HZ LYS 63 6.791 -7.139 8.359 513 2HZ LYS 63 2HZ LYS 63 6.220 -5.769 7.708 514 H GLY 64 H GLY 64 3.187 -3.270 3.690 515 1HA GLY 64 2HA GLY 64 4.350 -0.654 4.027 516 2HA GLY 64 1HA GLY 64 4.059 -0.753 2.290 517 H ARG 65 H ARG 65 2.829 1.205 2.922 518 HA ARG 65 HA ARG 65 -0.063 0.368 3.070 519 1HB ARG 65 1HB ARG 65 -0.626 1.964 4.854 520 2HB ARG 65 2HB ARG 65 0.623 0.829 5.287 521 1HG ARG 65 2HG ARG 65 1.743 2.501 6.248 522 2HG ARG 65 1HG ARG 65 2.279 2.927 4.643 523 1HD ARG 65 1HD ARG 65 0.338 4.573 4.444 524 2HD ARG 65 2HD ARG 65 -0.196 4.110 6.079 525 1HH1 ARG 65 2HH2 ARG 65 -0.407 6.353 6.009 526 2HH1 ARG 65 1HH2 ARG 65 0.278 7.889 6.782 527 1HH2 ARG 65 1HH1 ARG 65 3.328 6.434 6.911 528 2HH2 ARG 65 2HH1 ARG 65 2.313 7.936 7.286 529 H ILE 66 H ILE 66 -0.675 1.329 0.863 530 HA ILE 66 HA ILE 66 -0.638 3.309 -0.457 531 HB ILE 66 HB ILE 66 -3.489 3.104 0.573 532 1HG1 ILE 66 1HG1 ILE 66 -4.109 1.577 -1.161 533 2HG1 ILE 66 2HG1 ILE 66 -2.561 1.640 -1.927 534 1HG2 ILE 66 2HG2 ILE 66 -3.140 5.076 -0.979 535 2HG2 ILE 66 3HG2 ILE 66 -2.482 4.011 -2.223 536 3HG2 ILE 66 1HG2 ILE 66 -4.189 3.880 -1.719 537 1HD1 ILE 66 3HD1 ILE 66 -3.152 0.310 0.787 538 2HD1 ILE 66 1HD1 ILE 66 -2.897 -0.508 -0.803 539 3HD1 ILE 66 2HD1 ILE 66 -1.582 0.258 0.006 540 H VAL 67 H VAL 67 0.472 5.060 0.230 541 HA VAL 67 HA VAL 67 -0.966 7.303 1.646 542 HB VAL 67 HB VAL 67 1.124 8.482 1.432 543 1HG1 VAL 67 3HG2 VAL 67 0.665 7.189 3.506 544 2HG1 VAL 67 1HG2 VAL 67 1.563 5.807 2.851 545 3HG1 VAL 67 2HG2 VAL 67 2.403 7.331 3.200 546 1HG2 VAL 67 1HG1 VAL 67 2.468 6.016 0.223 547 2HG2 VAL 67 2HG1 VAL 67 2.303 7.627 -0.511 548 3HG2 VAL 67 3HG1 VAL 67 3.326 7.423 0.911 549 H PHE 68 H PHE 68 0.384 6.660 -1.571 550 HA PHE 68 HA PHE 68 0.109 7.650 -3.659 551 1HB PHE 68 1HB PHE 68 -2.369 7.297 -3.005 552 2HB PHE 68 2HB PHE 68 -2.458 9.000 -2.666 553 HD1 PHE 68 HD2 PHE 68 -2.105 6.435 -5.328 554 HD2 PHE 68 HD1 PHE 68 -2.319 10.664 -4.561 555 HE1 PHE 68 HE2 PHE 68 -2.551 6.851 -7.711 556 HE2 PHE 68 HE1 PHE 68 -2.762 11.065 -6.949 557 HZ PHE 68 HZ PHE 68 -2.878 9.163 -8.528 558 H ARG 69 H ARG 69 -0.943 10.382 -1.622 559 HA ARG 69 HA ARG 69 1.193 12.143 -2.961 560 1HB ARG 69 1HB ARG 69 -0.355 13.963 -2.714 561 2HB ARG 69 2HB ARG 69 -1.173 12.619 -3.456 562 1HG ARG 69 1HG ARG 69 -1.963 12.153 -0.833 563 2HG ARG 69 2HG ARG 69 -1.582 13.849 -0.689 564 1HD ARG 69 1HD ARG 69 -3.930 13.816 -1.212 565 2HD ARG 69 2HD ARG 69 -3.172 14.281 -2.715 566 1HH1 ARG 69 2HH2 ARG 69 -4.259 11.876 -0.328 567 2HH1 ARG 69 1HH2 ARG 69 -5.216 10.312 -0.543 568 1HH2 ARG 69 1HH1 ARG 69 -4.889 10.596 -3.909 569 2HH2 ARG 69 2HH1 ARG 69 -5.591 9.627 -2.501 570 H SER 70 H SER 70 2.457 10.815 -1.031 571 HA SER 70 HA SER 70 2.470 12.410 1.523 572 1HB SER 70 1HB SER 70 4.074 10.896 2.412 573 2HB SER 70 2HB SER 70 2.882 9.938 1.561 574 HG SER 70 HG SER 70 4.428 9.926 -0.258 575 H ARG 71 H ARG 71 4.597 12.434 -1.294 576 HA ARG 71 HA ARG 71 6.545 14.354 0.022 577 1HB ARG 71 2HB ARG 71 6.426 12.804 -2.651 578 2HB ARG 71 1HB ARG 71 7.463 14.173 -2.488 579 1HG ARG 71 1HG ARG 71 8.816 12.255 -2.069 580 2HG ARG 71 2HG ARG 71 8.705 13.148 -0.565 581 1HD ARG 71 1HD ARG 71 7.009 11.515 0.322 582 2HD ARG 71 2HD ARG 71 7.018 10.630 -1.220 583 1HH1 ARG 71 2HH2 ARG 71 6.916 9.426 1.033 584 2HH1 ARG 71 1HH2 ARG 71 7.957 8.165 1.894 585 1HH2 ARG 71 1HH1 ARG 71 10.765 9.437 0.537 586 2HH2 ARG 71 2HH1 ARG 71 9.988 8.159 1.642 No H/Q in entry = 586 Start of MODEL 9 1 1H ALA 1 1H ALA 1 14.019 9.710 11.242 2 2H ALA 1 2H ALA 1 14.220 8.621 10.040 3 HA ALA 1 HA ALA 1 14.277 10.817 9.135 4 1HB ALA 1 2HB ALA 1 14.915 11.935 11.270 5 2HB ALA 1 3HB ALA 1 16.564 11.270 11.167 6 3HB ALA 1 1HB ALA 1 15.997 12.451 9.962 7 H LYS 2 H LYS 2 17.342 9.121 9.905 8 HA LYS 2 HA LYS 2 18.600 9.720 7.310 9 1HB LYS 2 1HB LYS 2 19.850 9.208 9.418 10 2HB LYS 2 2HB LYS 2 19.281 7.552 9.381 11 1HG LYS 2 1HG LYS 2 21.596 7.635 8.620 12 2HG LYS 2 2HG LYS 2 20.576 7.087 7.310 13 1HD LYS 2 1HD LYS 2 22.228 8.571 6.390 14 2HD LYS 2 2HD LYS 2 20.673 9.369 6.235 15 1HE LYS 2 1HE LYS 2 21.216 10.800 8.294 16 2HE LYS 2 2HE LYS 2 22.765 9.962 8.463 17 1HZ LYS 2 1HZ LYS 2 21.914 11.496 6.046 18 2HZ LYS 2 2HZ LYS 2 23.347 10.736 6.206 19 H GLU 3 H GLU 3 17.036 6.688 8.299 20 HA GLU 3 HA GLU 3 17.075 5.702 5.392 21 1HB GLU 3 1HB GLU 3 18.076 4.225 7.245 22 2HB GLU 3 2HB GLU 3 16.474 4.134 7.981 23 1HG GLU 3 1HG GLU 3 15.598 3.172 5.762 24 2HG GLU 3 2HG GLU 3 17.250 3.174 5.143 25 HE1 GLU 3 HE2 GLU 3 18.198 0.502 7.227 26 H ASP 4 H ASP 4 15.503 7.587 5.251 27 HA ASP 4 HA ASP 4 12.804 7.322 6.284 28 1HB ASP 4 1HB ASP 4 13.685 9.429 5.634 29 2HB ASP 4 2HB ASP 4 13.860 8.992 3.925 30 HD2 ASP 4 HD2 ASP 4 10.810 10.343 3.302 31 H ASN 5 H ASN 5 10.919 7.118 5.230 32 HA ASN 5 HA ASN 5 10.724 4.416 3.848 33 1HB ASN 5 1HB ASN 5 8.530 6.224 5.043 34 2HB ASN 5 2HB ASN 5 8.218 4.673 4.281 35 1HD2 ASN 5 1HD2 ASN 5 8.437 4.063 7.918 36 2HD2 ASN 5 2HD2 ASN 5 7.495 5.261 6.875 37 H ILE 6 H ILE 6 10.355 4.118 1.702 38 HA ILE 6 HA ILE 6 9.824 6.451 -0.089 39 HB ILE 6 HB ILE 6 10.209 3.608 -1.130 40 1HG1 ILE 6 1HG1 ILE 6 12.529 5.140 0.065 41 2HG1 ILE 6 2HG1 ILE 6 11.819 3.623 0.482 42 1HG2 ILE 6 1HG2 ILE 6 9.778 5.566 -2.749 43 2HG2 ILE 6 2HG2 ILE 6 11.281 6.338 -2.179 44 3HG2 ILE 6 3HG2 ILE 6 11.325 4.789 -3.048 45 1HD1 ILE 6 2HD1 ILE 6 12.505 2.534 -1.688 46 2HD1 ILE 6 3HD1 ILE 6 13.342 4.032 -2.166 47 3HD1 ILE 6 1HD1 ILE 6 13.900 3.111 -0.750 48 H GLU 7 H GLU 7 8.203 6.457 -1.468 49 HA GLU 7 HA GLU 7 5.868 4.606 -1.056 50 1HB GLU 7 1HB GLU 7 4.221 6.278 -1.988 51 2HB GLU 7 2HB GLU 7 4.841 6.432 -0.357 52 1HG GLU 7 1HG GLU 7 6.495 8.085 -1.065 53 2HG GLU 7 2HG GLU 7 6.062 7.876 -2.732 54 HE1 GLU 7 HE2 GLU 7 3.877 10.067 -0.085 55 H MET 8 H MET 8 5.230 3.476 -2.374 56 HA MET 8 HA MET 8 6.636 3.144 -5.060 57 1HB MET 8 1HB MET 8 8.555 3.441 -3.485 58 2HB MET 8 2HB MET 8 7.918 2.276 -2.333 59 1HG MET 8 2HG MET 8 8.428 0.440 -3.770 60 2HG MET 8 1HG MET 8 8.624 1.562 -5.133 61 1HE MET 8 1HE MET 8 10.672 -0.797 -4.227 62 2HE MET 8 3HE MET 8 10.921 0.230 -5.674 63 3HE MET 8 2HE MET 8 12.242 0.019 -4.486 64 H GLN 9 H GLN 9 4.225 2.433 -4.960 65 HA GLN 9 HA GLN 9 4.412 -0.477 -5.155 66 1HB GLN 9 1HB GLN 9 3.269 0.459 -2.983 67 2HB GLN 9 2HB GLN 9 1.871 0.031 -3.939 68 1HG GLN 9 1HG GLN 9 2.105 -1.962 -2.945 69 2HG GLN 9 2HG GLN 9 3.453 -2.347 -3.969 70 1HE2 GLN 9 2HE2 GLN 9 5.555 -1.735 -0.929 71 2HE2 GLN 9 1HE2 GLN 9 5.576 -1.113 -2.642 72 H GLY 10 H GLY 10 1.684 -1.026 -5.665 73 1HA GLY 10 2HA GLY 10 2.008 -0.760 -8.736 74 2HA GLY 10 1HA GLY 10 2.104 -2.310 -7.916 75 H THR 11 H THR 11 0.331 -3.547 -7.923 76 HA THR 11 HA THR 11 -2.384 -2.240 -8.614 77 HB THR 11 HB THR 11 -1.200 -4.803 -9.865 78 HG1 THR 11 HG1 THR 11 -0.493 -2.654 -10.577 79 1HG2 THR 11 1HG2 THR 11 -3.897 -3.377 -10.433 80 2HG2 THR 11 2HG2 THR 11 -3.217 -4.725 -11.373 81 3HG2 THR 11 3HG2 THR 11 -3.707 -4.987 -9.687 82 H VAL 12 H VAL 12 -4.032 -2.971 -7.442 83 HA VAL 12 HA VAL 12 -3.502 -4.253 -4.894 84 HB VAL 12 HB VAL 12 -6.255 -4.164 -6.348 85 1HG1 VAL 12 1HG2 VAL 12 -5.467 -4.921 -3.495 86 2HG1 VAL 12 2HG2 VAL 12 -7.108 -4.372 -3.895 87 3HG1 VAL 12 3HG2 VAL 12 -6.465 -5.831 -4.641 88 1HG2 VAL 12 1HG1 VAL 12 -5.307 -2.141 -4.279 89 2HG2 VAL 12 2HG1 VAL 12 -5.785 -1.824 -5.965 90 3HG2 VAL 12 3HG1 VAL 12 -6.971 -2.409 -4.829 91 H LEU 13 H LEU 13 -2.613 -6.776 -6.034 92 HA LEU 13 HA LEU 13 -4.430 -8.448 -7.223 93 1HB LEU 13 1HB LEU 13 -1.926 -9.033 -5.552 94 2HB LEU 13 2HB LEU 13 -2.971 -10.343 -6.029 95 HG LEU 13 HG LEU 13 -2.920 -9.554 -8.350 96 1HD1 LEU 13 3HD1 LEU 13 -0.864 -7.509 -7.423 97 2HD1 LEU 13 1HD1 LEU 13 -0.937 -8.065 -9.119 98 3HD1 LEU 13 2HD1 LEU 13 -2.324 -7.248 -8.388 99 1HD2 LEU 13 3HD2 LEU 13 -1.409 -11.419 -7.583 100 2HD2 LEU 13 1HD2 LEU 13 -0.584 -10.481 -8.839 101 3HD2 LEU 13 2HD2 LEU 13 -0.150 -10.246 -7.131 102 H GLU 14 H GLU 14 -4.143 -8.435 -3.717 103 HA GLU 14 HA GLU 14 -7.132 -9.320 -3.700 104 1HB GLU 14 1HB GLU 14 -5.746 -11.032 -2.753 105 2HB GLU 14 2HB GLU 14 -4.980 -9.900 -1.655 106 1HG GLU 14 1HG GLU 14 -6.353 -11.026 -0.259 107 2HG GLU 14 2HG GLU 14 -7.274 -9.604 -0.475 108 HE1 GLU 14 HE2 GLU 14 -9.848 -11.118 -2.222 109 H THR 15 H THR 15 -8.253 -8.541 -2.004 110 HA THR 15 HA THR 15 -7.786 -5.613 -0.976 111 HB THR 15 HB THR 15 -10.249 -5.210 -0.855 112 HG1 THR 15 HG1 THR 15 -10.932 -7.318 -1.428 113 1HG2 THR 15 2HG2 THR 15 -8.698 -4.077 -2.445 114 2HG2 THR 15 3HG2 THR 15 -9.024 -5.320 -3.663 115 3HG2 THR 15 1HG2 THR 15 -10.330 -4.222 -3.123 116 H LEU 16 H LEU 16 -7.059 -6.514 0.801 117 HA LEU 16 HA LEU 16 -7.967 -9.128 1.874 118 1HB LEU 16 1HB LEU 16 -5.755 -7.021 2.291 119 2HB LEU 16 2HB LEU 16 -6.106 -8.001 3.658 120 HG LEU 16 HG LEU 16 -5.374 -9.150 0.955 121 1HD1 LEU 16 2HD1 LEU 16 -3.546 -7.874 1.928 122 2HD1 LEU 16 3HD1 LEU 16 -3.673 -8.776 3.469 123 3HD1 LEU 16 1HD1 LEU 16 -3.166 -9.607 1.967 124 1HD2 LEU 16 3HD2 LEU 16 -6.641 -10.898 2.233 125 2HD2 LEU 16 1HD2 LEU 16 -4.941 -11.303 1.990 126 3HD2 LEU 16 2HD2 LEU 16 -5.473 -10.738 3.589 127 HA PRO 17 HA PRO 17 -11.072 -9.416 4.898 128 1HB PRO 17 1HB PRO 17 -9.565 -8.469 7.184 129 2HB PRO 17 2HB PRO 17 -10.209 -10.093 6.812 130 1HG PRO 17 2HG PRO 17 -7.543 -8.852 6.420 131 2HG PRO 17 1HG PRO 17 -7.975 -10.567 6.715 132 1HD PRO 17 2HD PRO 17 -7.361 -9.779 4.430 133 2HD PRO 17 1HD PRO 17 -8.803 -10.835 4.482 134 H ASN 18 H ASN 18 -9.916 -6.321 6.336 135 HA ASN 18 HA ASN 18 -12.732 -5.229 6.182 136 1HB ASN 18 1HB ASN 18 -10.172 -4.260 7.374 137 2HB ASN 18 2HB ASN 18 -11.586 -3.260 7.273 138 1HD2 ASN 18 1HD2 ASN 18 -11.725 -4.555 10.576 139 2HD2 ASN 18 2HD2 ASN 18 -10.726 -3.378 9.584 140 H THR 19 H THR 19 -9.801 -3.540 5.282 141 HA THR 19 HA THR 19 -10.411 -3.463 2.334 142 HB THR 19 HB THR 19 -10.889 -1.161 4.126 143 HG1 THR 19 HG1 THR 19 -12.474 -2.719 3.163 144 1HG2 THR 19 1HG2 THR 19 -9.405 -0.228 2.189 145 2HG2 THR 19 2HG2 THR 19 -10.531 -0.966 1.026 146 3HG2 THR 19 3HG2 THR 19 -11.062 0.371 2.073 147 H MET 20 H MET 20 -8.333 -4.753 3.222 148 HA MET 20 HA MET 20 -6.010 -2.936 2.771 149 1HB MET 20 1HB MET 20 -6.282 -5.759 4.001 150 2HB MET 20 2HB MET 20 -4.734 -4.930 3.802 151 1HG MET 20 1HG MET 20 -5.774 -2.982 5.143 152 2HG MET 20 2HG MET 20 -7.152 -3.939 5.376 153 1HE MET 20 1HE MET 20 -5.782 -2.827 7.897 154 2HE MET 20 3HE MET 20 -7.116 -4.021 7.987 155 3HE MET 20 2HE MET 20 -5.631 -4.254 8.958 156 H PHE 21 H PHE 21 -4.041 -4.335 1.698 157 HA PHE 21 HA PHE 21 -5.048 -4.840 -1.262 158 1HB PHE 21 1HB PHE 21 -2.833 -2.966 -0.526 159 2HB PHE 21 2HB PHE 21 -3.600 -3.460 -2.062 160 HD1 PHE 21 HD2 PHE 21 -5.850 -3.081 -2.476 161 HD2 PHE 21 HD1 PHE 21 -4.131 -1.694 0.949 162 HE1 PHE 21 HE2 PHE 21 -8.139 -2.151 -1.738 163 HE2 PHE 21 HE1 PHE 21 -6.539 -1.200 1.692 164 HZ PHE 21 HZ PHE 21 -8.269 -0.699 0.030 165 H ARG 22 H ARG 22 -4.107 -6.962 -1.517 166 HA ARG 22 HA ARG 22 -1.309 -7.683 -0.397 167 1HB ARG 22 2HB ARG 22 -3.313 -9.445 -0.414 168 2HB ARG 22 1HB ARG 22 -2.785 -9.625 -2.063 169 1HG ARG 22 1HG ARG 22 -0.344 -9.940 -1.055 170 2HG ARG 22 2HG ARG 22 -1.147 -10.142 0.491 171 1HD ARG 22 1HD ARG 22 -1.604 -11.843 -2.048 172 2HD ARG 22 2HD ARG 22 -0.632 -12.309 -0.666 173 1HH1 ARG 22 2HH2 ARG 22 -3.113 -12.804 -2.603 174 2HH1 ARG 22 1HH2 ARG 22 -4.706 -13.690 -2.321 175 1HH2 ARG 22 1HH1 ARG 22 -4.410 -13.216 1.010 176 2HH2 ARG 22 2HH1 ARG 22 -5.422 -13.903 -0.379 177 H VAL 23 H VAL 23 -0.097 -6.351 -1.601 178 HA VAL 23 HA VAL 23 -0.956 -5.743 -4.453 179 HB VAL 23 HB VAL 23 1.209 -4.151 -3.038 180 1HG1 VAL 23 3HG2 VAL 23 0.577 -3.538 -5.446 181 2HG1 VAL 23 1HG2 VAL 23 -1.086 -3.245 -4.881 182 3HG1 VAL 23 2HG2 VAL 23 0.253 -2.248 -4.269 183 1HG2 VAL 23 1HG1 VAL 23 -1.794 -3.905 -2.672 184 2HG2 VAL 23 2HG1 VAL 23 -0.626 -4.073 -1.347 185 3HG2 VAL 23 3HG1 VAL 23 -0.744 -2.538 -2.232 186 H GLU 24 H GLU 24 0.256 -5.836 -6.101 187 HA GLU 24 HA GLU 24 2.971 -7.315 -5.983 188 1HB GLU 24 1HB GLU 24 1.250 -8.401 -7.493 189 2HB GLU 24 2HB GLU 24 1.223 -6.932 -8.488 190 1HG GLU 24 1HG GLU 24 3.718 -7.270 -8.960 191 2HG GLU 24 2HG GLU 24 3.730 -8.704 -7.942 192 HE2 GLU 24 HE2 GLU 24 3.174 -9.269 -11.614 193 H LEU 25 H LEU 25 4.471 -5.655 -5.691 194 HA LEU 25 HA LEU 25 4.281 -3.019 -6.196 195 1HB LEU 25 1HB LEU 25 6.352 -5.268 -5.717 196 2HB LEU 25 2HB LEU 25 7.086 -4.094 -6.629 197 HG LEU 25 HG LEU 25 5.581 -3.350 -4.158 198 1HD1 LEU 25 2HD2 LEU 25 7.206 -5.085 -3.490 199 2HD1 LEU 25 3HD2 LEU 25 8.545 -4.216 -4.285 200 3HD1 LEU 25 1HD2 LEU 25 7.738 -3.516 -2.858 201 1HD2 LEU 25 2HD1 LEU 25 8.026 -2.050 -5.662 202 2HD2 LEU 25 3HD1 LEU 25 6.390 -1.346 -5.566 203 3HD2 LEU 25 1HD1 LEU 25 7.403 -1.458 -4.119 204 H GLU 26 H GLU 26 6.244 -2.016 -7.295 205 HA GLU 26 HA GLU 26 5.735 -1.964 -10.302 206 1HB GLU 26 1HB GLU 26 6.992 0.105 -10.423 207 2HB GLU 26 2HB GLU 26 5.781 0.234 -9.168 208 1HG GLU 26 1HG GLU 26 7.659 -0.204 -7.411 209 2HG GLU 26 2HG GLU 26 8.831 -0.165 -8.724 210 HE1 GLU 26 HE2 GLU 26 8.649 3.256 -9.094 211 H ASN 27 H ASN 27 8.059 -3.401 -8.150 212 HA ASN 27 HA ASN 27 9.883 -4.137 -10.456 213 1HB ASN 27 2HB ASN 27 11.365 -4.825 -8.708 214 2HB ASN 27 1HB ASN 27 10.872 -3.192 -8.353 215 1HD2 ASN 27 1HD2 ASN 27 10.986 -4.830 -5.186 216 2HD2 ASN 27 2HD2 ASN 27 12.022 -3.982 -6.434 217 H GLY 28 H GLY 28 6.946 -5.252 -9.510 218 1HA GLY 28 2HA GLY 28 5.889 -7.332 -10.011 219 2HA GLY 28 1HA GLY 28 7.436 -8.008 -10.391 220 H HIS 29 H HIS 29 7.534 -6.868 -7.217 221 HA HIS 29 HA HIS 29 7.182 -9.679 -6.097 222 1HB HIS 29 1HB HIS 29 9.258 -8.490 -5.690 223 2HB HIS 29 2HB HIS 29 8.412 -7.105 -4.995 224 HD2 HIS 29 HD2 HIS 29 8.527 -6.980 -2.491 225 HE1 HIS 29 HE1 HIS 29 8.605 -11.023 -1.477 226 HE2 HIS 29 HE2 HIS 29 8.630 -8.650 -0.430 227 H VAL 30 H VAL 30 5.950 -10.185 -4.312 228 HA VAL 30 HA VAL 30 3.358 -8.594 -4.083 229 HB VAL 30 HB VAL 30 3.918 -11.582 -3.902 230 1HG1 VAL 30 1HG2 VAL 30 1.323 -10.244 -2.913 231 2HG1 VAL 30 2HG2 VAL 30 1.552 -11.994 -3.218 232 3HG1 VAL 30 3HG2 VAL 30 2.471 -11.193 -1.933 233 1HG2 VAL 30 2HG1 VAL 30 3.302 -10.527 -6.145 234 2HG2 VAL 30 3HG1 VAL 30 2.044 -11.654 -5.595 235 3HG2 VAL 30 1HG1 VAL 30 1.802 -9.894 -5.435 236 H VAL 31 H VAL 31 2.924 -7.597 -2.422 237 HA VAL 31 HA VAL 31 3.935 -8.377 0.390 238 HB VAL 31 HB VAL 31 4.286 -5.930 0.957 239 1HG1 VAL 31 3HG2 VAL 31 6.216 -7.447 0.507 240 2HG1 VAL 31 1HG2 VAL 31 6.237 -6.897 -1.183 241 3HG1 VAL 31 2HG2 VAL 31 6.541 -5.741 0.149 242 1HG2 VAL 31 2HG1 VAL 31 3.068 -4.809 -0.926 243 2HG2 VAL 31 3HG1 VAL 31 4.756 -4.269 -0.790 244 3HG2 VAL 31 1HG1 VAL 31 4.284 -5.405 -2.082 245 H THR 32 H THR 32 2.839 -7.540 2.179 246 HA THR 32 HA THR 32 -0.193 -7.271 1.756 247 HB THR 32 HB THR 32 1.479 -7.939 4.244 248 HG1 THR 32 HG1 THR 32 0.185 -9.846 4.026 249 1HG2 THR 32 3HG2 THR 32 -1.595 -7.613 4.067 250 2HG2 THR 32 1HG2 THR 32 -0.724 -8.378 5.433 251 3HG2 THR 32 2HG2 THR 32 -0.496 -6.658 5.074 252 H ALA 33 H ALA 33 -0.947 -5.094 1.614 253 HA ALA 33 HA ALA 33 -0.001 -3.187 3.813 254 1HB ALA 33 3HB ALA 33 -0.635 -2.813 0.802 255 2HB ALA 33 1HB ALA 33 -0.117 -1.568 1.964 256 3HB ALA 33 2HB ALA 33 0.995 -2.879 1.544 257 H HIS 34 H HIS 34 -1.259 -1.611 4.557 258 HA HIS 34 HA HIS 34 -4.286 -1.745 4.017 259 1HB HIS 34 1HB HIS 34 -4.483 -0.163 6.085 260 2HB HIS 34 2HB HIS 34 -4.308 -1.858 6.324 261 HD2 HIS 34 HD2 HIS 34 -2.135 1.417 6.575 262 HE1 HIS 34 HE1 HIS 34 -0.372 -1.440 9.052 263 HE2 HIS 34 HE2 HIS 34 -0.184 1.032 8.357 264 H ILE 35 H ILE 35 -5.431 0.214 3.698 265 HA ILE 35 HA ILE 35 -3.948 2.410 2.382 266 HB ILE 35 HB ILE 35 -6.137 3.560 2.720 267 1HG1 ILE 35 1HG1 ILE 35 -7.862 1.224 3.458 268 2HG1 ILE 35 2HG1 ILE 35 -6.848 1.822 4.750 269 1HG2 ILE 35 2HG2 ILE 35 -5.781 1.969 0.617 270 2HG2 ILE 35 3HG2 ILE 35 -7.263 1.236 1.288 271 3HG2 ILE 35 1HG2 ILE 35 -7.245 2.929 0.889 272 1HD1 ILE 35 3HD1 ILE 35 -8.696 3.660 3.094 273 2HD1 ILE 35 1HD1 ILE 35 -8.995 3.055 4.755 274 3HD1 ILE 35 2HD1 ILE 35 -7.640 4.162 4.435 275 H SER 36 H SER 36 -4.775 4.792 3.414 276 HA SER 36 HA SER 36 -3.616 5.033 6.202 277 1HB SER 36 1HB SER 36 -2.852 7.202 5.466 278 2HB SER 36 2HB SER 36 -2.049 5.948 4.578 279 HG SER 36 HG SER 36 -3.209 6.416 2.798 280 H GLY 37 H GLY 37 -5.003 5.972 7.592 281 1HA GLY 37 1HA GLY 37 -7.771 6.471 7.222 282 2HA GLY 37 2HA GLY 37 -6.872 7.271 8.478 283 H LYS 38 H LYS 38 -5.418 8.611 6.066 284 HA LYS 38 HA LYS 38 -6.936 11.153 5.992 285 1HB LYS 38 2HB LYS 38 -4.480 10.215 4.348 286 2HB LYS 38 1HB LYS 38 -4.933 11.865 4.695 287 1HG LYS 38 1HG LYS 38 -4.243 11.577 7.104 288 2HG LYS 38 2HG LYS 38 -3.845 9.870 6.795 289 1HD LYS 38 1HD LYS 38 -2.119 10.441 5.166 290 2HD LYS 38 2HD LYS 38 -2.522 12.144 5.183 291 1HE LYS 38 1HE LYS 38 -1.590 10.697 7.768 292 2HE LYS 38 2HE LYS 38 -0.433 11.275 6.572 293 1HZ LYS 38 1HZ LYS 38 -2.500 13.017 7.813 294 2HZ LYS 38 2HZ LYS 38 -1.385 13.506 6.747 295 H MET 39 H MET 39 -6.235 8.666 3.571 296 HA MET 39 HA MET 39 -7.793 10.129 1.434 297 1HB MET 39 1HB MET 39 -7.465 7.950 0.120 298 2HB MET 39 2HB MET 39 -6.130 9.073 0.295 299 1HG MET 39 2HG MET 39 -5.005 7.634 1.755 300 2HG MET 39 1HG MET 39 -6.402 6.579 1.910 301 1HE MET 39 1HE MET 39 -3.761 8.077 -0.732 302 2HE MET 39 3HE MET 39 -4.047 7.018 -2.143 303 3HE MET 39 2HE MET 39 -5.290 8.199 -1.665 304 H ARG 40 H ARG 40 -8.539 7.348 3.496 305 HA ARG 40 HA ARG 40 -10.850 6.281 2.744 306 1HB ARG 40 1HB ARG 40 -10.373 7.894 5.369 307 2HB ARG 40 2HB ARG 40 -11.785 6.930 5.128 308 1HG ARG 40 1HG ARG 40 -10.370 4.859 4.775 309 2HG ARG 40 2HG ARG 40 -8.950 5.831 5.198 310 1HD ARG 40 1HD ARG 40 -10.139 6.403 7.443 311 2HD ARG 40 2HD ARG 40 -11.412 5.246 6.989 312 1HH1 ARG 40 2HH2 ARG 40 -10.780 5.084 9.265 313 2HH1 ARG 40 1HH2 ARG 40 -10.029 3.871 10.437 314 1HH2 ARG 40 1HH1 ARG 40 -8.124 2.640 7.913 315 2HH2 ARG 40 2HH1 ARG 40 -8.576 2.530 9.706 316 H LYS 41 H LYS 41 -10.747 9.789 3.329 317 HA LYS 41 HA LYS 41 -13.721 10.127 2.819 318 1HB LYS 41 1HB LYS 41 -11.556 12.105 3.925 319 2HB LYS 41 2HB LYS 41 -13.217 12.475 3.712 320 1HG LYS 41 1HG LYS 41 -13.487 12.012 5.926 321 2HG LYS 41 2HG LYS 41 -13.571 10.331 5.420 322 1HD LYS 41 1HD LYS 41 -10.970 10.232 5.736 323 2HD LYS 41 2HD LYS 41 -11.056 11.867 6.381 324 1HE LYS 41 1HE LYS 41 -12.662 11.023 8.210 325 2HE LYS 41 2HE LYS 41 -12.488 9.381 7.556 326 1HZ LYS 41 1HZ LYS 41 -9.980 9.766 7.832 327 2HZ LYS 41 2HZ LYS 41 -10.832 9.563 9.221 328 H ASN 42 H ASN 42 -11.381 10.003 1.017 329 HA ASN 42 HA ASN 42 -12.215 12.095 -1.099 330 1HB ASN 42 1HB ASN 42 -9.743 12.253 -0.567 331 2HB ASN 42 2HB ASN 42 -9.551 10.538 -0.899 332 1HD2 ASN 42 1HD2 ASN 42 -8.455 12.060 -3.894 333 2HD2 ASN 42 2HD2 ASN 42 -7.985 11.188 -2.352 334 H TYR 43 H TYR 43 -10.769 8.822 -1.281 335 HA TYR 43 HA TYR 43 -13.311 7.718 -2.480 336 1HB TYR 43 1HB TYR 43 -11.981 6.065 -3.385 337 2HB TYR 43 2HB TYR 43 -11.161 7.528 -3.755 338 HD1 TYR 43 HD2 TYR 43 -11.097 4.579 -1.355 339 HD2 TYR 43 HD1 TYR 43 -8.763 7.510 -3.459 340 HE1 TYR 43 HE2 TYR 43 -9.062 3.392 -0.727 341 HE2 TYR 43 HE1 TYR 43 -6.722 6.259 -2.892 342 HH TYR 43 HH TYR 43 -5.914 4.399 -2.023 343 H ILE 44 H ILE 44 -14.570 6.859 -0.726 344 HA ILE 44 HA ILE 44 -13.825 5.714 1.587 345 HB ILE 44 HB ILE 44 -16.041 4.548 -0.008 346 1HG1 ILE 44 1HG1 ILE 44 -16.021 7.083 1.673 347 2HG1 ILE 44 2HG1 ILE 44 -16.298 7.007 -0.042 348 1HG2 ILE 44 1HG2 ILE 44 -15.519 3.299 2.163 349 2HG2 ILE 44 2HG2 ILE 44 -15.755 4.807 3.070 350 3HG2 ILE 44 3HG2 ILE 44 -17.117 4.033 2.218 351 1HD1 ILE 44 3HD1 ILE 44 -18.489 5.759 0.296 352 2HD1 ILE 44 1HD1 ILE 44 -18.314 6.010 2.054 353 3HD1 ILE 44 2HD1 ILE 44 -18.464 7.406 0.971 354 H ARG 45 H ARG 45 -14.155 3.639 -1.258 355 HA ARG 45 HA ARG 45 -11.884 1.967 -0.292 356 1HB ARG 45 2HB ARG 45 -14.491 0.787 -1.352 357 2HB ARG 45 1HB ARG 45 -13.117 -0.195 -0.954 358 1HG ARG 45 1HG ARG 45 -13.226 0.345 1.444 359 2HG ARG 45 2HG ARG 45 -14.577 1.425 1.206 360 1HD ARG 45 1HD ARG 45 -14.704 -1.570 0.446 361 2HD ARG 45 2HD ARG 45 -15.121 -0.999 2.039 362 1HH1 ARG 45 2HH2 ARG 45 -16.377 0.468 2.775 363 2HH1 ARG 45 1HH2 ARG 45 -18.115 1.096 2.809 364 1HH2 ARG 45 1HH1 ARG 45 -18.520 0.074 -0.400 365 2HH2 ARG 45 2HH1 ARG 45 -19.286 0.894 1.072 366 H ILE 46 H ILE 46 -11.703 0.177 -2.040 367 HA ILE 46 HA ILE 46 -11.384 1.073 -4.821 368 HB ILE 46 HB ILE 46 -8.977 0.663 -5.101 369 1HG1 ILE 46 1HG1 ILE 46 -8.098 1.909 -2.521 370 2HG1 ILE 46 2HG1 ILE 46 -8.867 0.379 -2.194 371 1HG2 ILE 46 2HG2 ILE 46 -9.884 2.852 -5.507 372 2HG2 ILE 46 3HG2 ILE 46 -9.795 3.266 -3.777 373 3HG2 ILE 46 1HG2 ILE 46 -8.296 3.012 -4.701 374 1HD1 ILE 46 2HD1 ILE 46 -6.767 0.641 -4.436 375 2HD1 ILE 46 3HD1 ILE 46 -6.381 0.212 -2.731 376 3HD1 ILE 46 1HD1 ILE 46 -7.483 -0.808 -3.696 377 H LEU 47 H LEU 47 -10.248 -0.757 -6.117 378 HA LEU 47 HA LEU 47 -11.990 -3.137 -5.270 379 1HB LEU 47 1HB LEU 47 -11.714 -1.795 -8.031 380 2HB LEU 47 2HB LEU 47 -12.098 -3.474 -7.905 381 HG LEU 47 HG LEU 47 -14.127 -2.962 -6.476 382 1HD1 LEU 47 1HD2 LEU 47 -13.563 -0.027 -7.311 383 2HD1 LEU 47 2HD2 LEU 47 -15.096 -0.623 -6.629 384 3HD1 LEU 47 3HD2 LEU 47 -13.631 -0.657 -5.647 385 1HD2 LEU 47 2HD1 LEU 47 -14.267 -3.442 -8.937 386 2HD2 LEU 47 3HD1 LEU 47 -15.493 -2.256 -8.462 387 3HD2 LEU 47 1HD1 LEU 47 -14.024 -1.721 -9.313 388 H THR 48 H THR 48 -11.422 -5.170 -6.203 389 HA THR 48 HA THR 48 -8.570 -5.861 -5.833 390 HB THR 48 HB THR 48 -10.697 -7.655 -6.913 391 HG1 THR 48 HG1 THR 48 -10.203 -7.031 -4.178 392 1HG2 THR 48 2HG2 THR 48 -8.226 -8.212 -5.185 393 2HG2 THR 48 3HG2 THR 48 -9.454 -9.441 -5.589 394 3HG2 THR 48 1HG2 THR 48 -8.456 -8.718 -6.869 395 H GLY 49 H GLY 49 -7.586 -4.643 -7.249 396 1HA GLY 49 1HA GLY 49 -6.076 -5.168 -9.279 397 2HA GLY 49 2HA GLY 49 -7.522 -5.466 -10.253 398 H ASP 50 H ASP 50 -7.284 -2.886 -7.933 399 HA ASP 50 HA ASP 50 -7.266 -0.747 -10.089 400 1HB ASP 50 1HB ASP 50 -7.976 -0.740 -7.176 401 2HB ASP 50 2HB ASP 50 -7.638 0.719 -8.051 402 HD2 ASP 50 HD2 ASP 50 -11.079 0.664 -8.196 403 H LYS 51 H LYS 51 -5.531 0.884 -10.129 404 HA LYS 51 HA LYS 51 -3.134 0.322 -9.115 405 1HB LYS 51 1HB LYS 51 -4.182 2.962 -10.199 406 2HB LYS 51 2HB LYS 51 -2.546 2.330 -10.254 407 1HG LYS 51 1HG LYS 51 -4.997 1.336 -11.842 408 2HG LYS 51 2HG LYS 51 -3.473 1.990 -12.256 409 1HD LYS 51 1HD LYS 51 -2.357 -0.187 -11.361 410 2HD LYS 51 2HD LYS 51 -3.979 -0.841 -11.249 411 1HE LYS 51 1HE LYS 51 -4.297 -0.346 -13.785 412 2HE LYS 51 2HE LYS 51 -2.587 0.112 -13.847 413 1HZ LYS 51 1HZ LYS 51 -3.701 -2.537 -13.048 414 2HZ LYS 51 2HZ LYS 51 -2.148 -2.161 -12.796 415 H VAL 52 H VAL 52 -2.128 0.673 -7.632 416 HA VAL 52 HA VAL 52 -2.595 2.759 -5.424 417 HB VAL 52 HB VAL 52 -2.166 1.040 -3.738 418 1HG1 VAL 52 3HG2 VAL 52 -4.598 1.289 -4.486 419 2HG1 VAL 52 1HG2 VAL 52 -4.363 -0.112 -5.550 420 3HG1 VAL 52 2HG2 VAL 52 -4.213 -0.314 -3.794 421 1HG2 VAL 52 2HG1 VAL 52 -0.800 -0.628 -5.089 422 2HG2 VAL 52 3HG1 VAL 52 -2.080 -1.354 -4.064 423 3HG2 VAL 52 1HG1 VAL 52 -2.306 -1.216 -5.820 424 H THR 53 H THR 53 -0.775 3.294 -4.114 425 HA THR 53 HA THR 53 2.012 2.443 -4.941 426 HB THR 53 HB THR 53 1.075 5.408 -5.236 427 HG1 THR 53 HG1 THR 53 1.130 3.520 -6.926 428 1HG2 THR 53 2HG2 THR 53 3.365 5.377 -4.118 429 2HG2 THR 53 3HG2 THR 53 3.980 4.340 -5.439 430 3HG2 THR 53 1HG2 THR 53 3.424 5.984 -5.782 431 H VAL 54 H VAL 54 2.600 1.895 -3.140 432 HA VAL 54 HA VAL 54 1.240 2.750 -0.530 433 HB VAL 54 HB VAL 54 1.951 0.004 -1.625 434 1HG1 VAL 54 3HG2 VAL 54 1.914 -0.384 0.537 435 2HG1 VAL 54 1HG2 VAL 54 0.211 0.117 0.685 436 3HG1 VAL 54 2HG2 VAL 54 0.671 -1.241 -0.338 437 1HG2 VAL 54 1HG1 VAL 54 -0.718 1.379 -1.864 438 2HG2 VAL 54 2HG1 VAL 54 0.183 0.724 -3.173 439 3HG2 VAL 54 3HG1 VAL 54 -0.567 -0.401 -2.071 440 H GLU 55 H GLU 55 2.530 3.114 1.205 441 HA GLU 55 HA GLU 55 5.386 3.401 0.460 442 1HB GLU 55 1HB GLU 55 3.768 5.121 1.801 443 2HB GLU 55 2HB GLU 55 4.265 4.158 3.181 444 1HG GLU 55 1HG GLU 55 6.695 4.760 2.719 445 2HG GLU 55 2HG GLU 55 6.186 5.692 1.326 446 HE2 GLU 55 HE2 GLU 55 5.748 7.210 4.949 447 H LEU 56 H LEU 56 7.131 2.601 1.540 448 HA LEU 56 HA LEU 56 6.918 0.646 3.803 449 1HB LEU 56 1HB LEU 56 7.524 -1.293 2.734 450 2HB LEU 56 2HB LEU 56 6.258 -0.666 1.722 451 HG LEU 56 HG LEU 56 9.226 -0.331 1.184 452 1HD1 LEU 56 2HD1 LEU 56 8.528 -2.771 1.108 453 2HD1 LEU 56 3HD1 LEU 56 7.198 -2.398 0.010 454 3HD1 LEU 56 1HD1 LEU 56 8.878 -2.238 -0.551 455 1HD2 LEU 56 2HD2 LEU 56 6.858 0.272 -0.656 456 2HD2 LEU 56 3HD2 LEU 56 8.144 1.360 -0.082 457 3HD2 LEU 56 1HD2 LEU 56 8.543 0.091 -1.240 458 H THR 57 H THR 57 9.522 -0.455 3.482 459 HA THR 57 HA THR 57 11.079 1.937 4.432 460 HB THR 57 HB THR 57 12.645 0.039 5.327 461 HG1 THR 57 HG1 THR 57 10.125 -1.198 5.588 462 1HG2 THR 57 2HG2 THR 57 11.832 1.722 6.799 463 2HG2 THR 57 3HG2 THR 57 10.259 0.888 6.979 464 3HG2 THR 57 1HG2 THR 57 11.777 0.127 7.576 465 HA PRO 58 HA PRO 58 14.276 1.023 1.159 466 1HB PRO 58 1HB PRO 58 15.895 1.405 3.607 467 2HB PRO 58 2HB PRO 58 16.317 1.825 1.956 468 1HG PRO 58 1HG PRO 58 15.239 3.793 3.379 469 2HG PRO 58 2HG PRO 58 14.373 3.481 1.882 470 1HD PRO 58 1HD PRO 58 13.595 2.484 4.716 471 2HD PRO 58 2HD PRO 58 12.568 3.170 3.476 472 H TYR 59 H TYR 59 14.688 -0.417 4.282 473 HA TYR 59 HA TYR 59 16.369 -2.761 3.325 474 1HB TYR 59 1HB TYR 59 16.526 -1.199 5.562 475 2HB TYR 59 2HB TYR 59 15.424 -2.308 6.230 476 HD1 TYR 59 HD2 TYR 59 18.877 -1.884 4.939 477 HD2 TYR 59 HD1 TYR 59 16.135 -4.681 6.715 478 HE1 TYR 59 HE2 TYR 59 20.756 -3.378 5.518 479 HE2 TYR 59 HE1 TYR 59 18.017 -6.159 7.281 480 HH TYR 59 HH TYR 59 20.211 -6.479 7.144 481 H ASP 60 H ASP 60 13.243 -2.465 4.861 482 HA ASP 60 HA ASP 60 12.930 -5.539 4.932 483 1HB ASP 60 1HB ASP 60 12.977 -4.119 7.106 484 2HB ASP 60 2HB ASP 60 11.381 -3.528 6.665 485 HD1 ASP 60 HD2 ASP 60 9.827 -6.511 7.420 486 H LEU 61 H LEU 61 12.425 -5.112 2.618 487 HA LEU 61 HA LEU 61 9.805 -4.346 1.815 488 1HB LEU 61 1HB LEU 61 11.507 -6.321 0.187 489 2HB LEU 61 2HB LEU 61 10.331 -5.189 -0.388 490 HG LEU 61 HG LEU 61 12.251 -4.274 -1.171 491 1HD1 LEU 61 2HD1 LEU 61 11.059 -2.448 0.077 492 2HD1 LEU 61 3HD1 LEU 61 12.055 -2.770 1.511 493 3HD1 LEU 61 1HD1 LEU 61 12.807 -2.166 0.029 494 1HD2 LEU 61 2HD2 LEU 61 13.889 -5.771 -0.032 495 2HD2 LEU 61 3HD2 LEU 61 14.441 -4.084 -0.050 496 3HD2 LEU 61 1HD2 LEU 61 13.798 -4.781 1.440 497 H SER 62 H SER 62 9.263 -6.090 3.848 498 HA SER 62 HA SER 62 7.700 -8.391 2.616 499 1HB SER 62 1HB SER 62 8.211 -7.404 5.515 500 2HB SER 62 2HB SER 62 7.254 -8.802 5.100 501 HG SER 62 HG SER 62 9.838 -8.598 4.006 502 H LYS 63 H LYS 63 7.016 -5.179 3.921 503 HA LYS 63 HA LYS 63 4.007 -5.615 3.543 504 1HB LYS 63 1HB LYS 63 5.607 -4.454 5.889 505 2HB LYS 63 2HB LYS 63 3.973 -4.075 5.656 506 1HG LYS 63 1HG LYS 63 4.388 -7.031 5.460 507 2HG LYS 63 2HG LYS 63 4.973 -6.374 6.945 508 1HD LYS 63 1HD LYS 63 2.717 -5.303 7.413 509 2HD LYS 63 2HD LYS 63 2.115 -5.914 5.870 510 1HE LYS 63 1HE LYS 63 2.509 -8.307 6.648 511 2HE LYS 63 2HE LYS 63 3.124 -7.710 8.197 512 1HZ LYS 63 1HZ LYS 63 0.413 -7.078 7.125 513 2HZ LYS 63 2HZ LYS 63 0.977 -6.628 8.582 514 H GLY 64 H GLY 64 2.889 -3.527 3.773 515 1HA GLY 64 1HA GLY 64 4.221 -0.935 2.894 516 2HA GLY 64 2HA GLY 64 3.207 -1.661 1.698 517 H ARG 65 H ARG 65 2.743 0.945 2.588 518 HA ARG 65 HA ARG 65 -0.153 0.411 3.122 519 1HB ARG 65 1HB ARG 65 -0.457 1.442 5.089 520 2HB ARG 65 2HB ARG 65 1.167 0.930 5.323 521 1HG ARG 65 2HG ARG 65 1.301 2.961 6.293 522 2HG ARG 65 1HG ARG 65 1.857 3.421 4.701 523 1HD ARG 65 1HD ARG 65 -0.292 4.462 4.137 524 2HD ARG 65 2HD ARG 65 -1.156 3.670 5.422 525 1HH1 ARG 65 2HH2 ARG 65 -1.243 3.792 7.407 526 2HH1 ARG 65 1HH2 ARG 65 -1.335 4.913 8.871 527 1HH2 ARG 65 1HH1 ARG 65 0.494 7.229 7.190 528 2HH2 ARG 65 2HH1 ARG 65 -0.418 6.801 8.742 529 H ILE 66 H ILE 66 -0.772 1.423 0.853 530 HA ILE 66 HA ILE 66 -0.625 3.505 -0.329 531 HB ILE 66 HB ILE 66 -3.524 3.422 0.545 532 1HG1 ILE 66 1HG1 ILE 66 -4.231 1.924 -1.086 533 2HG1 ILE 66 2HG1 ILE 66 -2.736 1.891 -1.942 534 1HG2 ILE 66 2HG2 ILE 66 -2.828 5.348 -0.962 535 2HG2 ILE 66 3HG2 ILE 66 -2.199 4.212 -2.155 536 3HG2 ILE 66 1HG2 ILE 66 -3.944 4.270 -1.804 537 1HD1 ILE 66 3HD1 ILE 66 -3.249 0.540 0.776 538 2HD1 ILE 66 1HD1 ILE 66 -3.064 -0.229 -0.854 539 3HD1 ILE 66 2HD1 ILE 66 -1.708 0.476 -0.075 540 H VAL 67 H VAL 67 0.225 5.374 0.182 541 HA VAL 67 HA VAL 67 -0.768 7.037 2.495 542 HB VAL 67 HB VAL 67 1.327 8.398 1.904 543 1HG1 VAL 67 1HG2 VAL 67 1.108 6.973 3.936 544 2HG1 VAL 67 2HG2 VAL 67 1.742 5.585 3.036 545 3HG1 VAL 67 3HG2 VAL 67 2.762 7.014 3.327 546 1HG2 VAL 67 2HG1 VAL 67 1.962 7.529 -0.328 547 2HG2 VAL 67 3HG1 VAL 67 3.256 7.345 0.873 548 3HG2 VAL 67 1HG1 VAL 67 2.294 5.933 0.375 549 H PHE 68 H PHE 68 -1.498 9.022 2.429 550 HA PHE 68 HA PHE 68 -1.998 10.408 -0.281 551 1HB PHE 68 1HB PHE 68 -3.939 9.582 1.295 552 2HB PHE 68 2HB PHE 68 -3.432 10.827 2.405 553 HD1 PHE 68 HD1 PHE 68 -3.924 10.859 -1.406 554 HD2 PHE 68 HD2 PHE 68 -5.265 12.316 2.415 555 HE1 PHE 68 HE1 PHE 68 -5.591 12.276 -2.519 556 HE2 PHE 68 HE2 PHE 68 -6.951 13.698 1.288 557 HZ PHE 68 HZ PHE 68 -7.116 13.691 -1.178 558 H ARG 69 H ARG 69 0.536 10.587 1.157 559 HA ARG 69 HA ARG 69 0.901 13.593 1.253 560 1HB ARG 69 1HB ARG 69 1.695 11.755 3.628 561 2HB ARG 69 2HB ARG 69 2.208 13.417 3.478 562 1HG ARG 69 1HG ARG 69 -0.708 12.526 3.858 563 2HG ARG 69 2HG ARG 69 0.366 13.078 5.127 564 1HD ARG 69 1HD ARG 69 0.541 15.349 4.047 565 2HD ARG 69 2HD ARG 69 -0.515 14.842 2.737 566 1HH1 ARG 69 2HH2 ARG 69 -2.431 14.196 2.543 567 2HH1 ARG 69 1HH2 ARG 69 -4.173 14.551 3.023 568 1HH2 ARG 69 1HH1 ARG 69 -3.153 15.690 6.043 569 2HH2 ARG 69 2HH1 ARG 69 -4.575 15.329 4.917 570 H SER 70 H SER 70 3.282 14.155 1.416 571 HA SER 70 HA SER 70 4.972 12.219 -0.248 572 1HB SER 70 1HB SER 70 6.220 14.139 -0.972 573 2HB SER 70 2HB SER 70 4.513 14.506 -1.179 574 HG SER 70 HG SER 70 6.124 15.279 1.061 575 H ARG 71 H ARG 71 5.035 11.090 1.930 576 HA ARG 71 HA ARG 71 7.246 12.034 3.786 577 1HB ARG 71 1HB ARG 71 5.052 11.295 4.646 578 2HB ARG 71 2HB ARG 71 5.227 9.719 3.908 579 1HG ARG 71 1HG ARG 71 7.204 9.216 5.432 580 2HG ARG 71 2HG ARG 71 7.051 10.816 6.138 581 1HD ARG 71 1HD ARG 71 5.970 9.288 7.668 582 2HD ARG 71 2HD ARG 71 4.674 10.226 6.910 583 1HH1 ARG 71 2HH2 ARG 71 3.675 8.770 8.331 584 2HH1 ARG 71 1HH2 ARG 71 2.543 7.310 8.301 585 1HH2 ARG 71 1HH1 ARG 71 3.865 6.261 5.379 586 2HH2 ARG 71 2HH1 ARG 71 2.574 6.016 6.661 No H/Q in entry = 586 Start of MODEL 10 1 1H ALA 1 1H ALA 1 15.706 13.518 -0.184 2 2H ALA 1 2H ALA 1 14.552 12.790 0.719 3 HA ALA 1 HA ALA 1 17.474 12.416 1.051 4 1HB ALA 1 1HB ALA 1 16.221 12.277 3.196 5 2HB ALA 1 2HB ALA 1 15.108 11.067 2.509 6 3HB ALA 1 3HB ALA 1 16.824 10.672 2.737 7 H LYS 2 H LYS 2 14.529 10.822 -0.208 8 HA LYS 2 HA LYS 2 14.236 9.299 -1.968 9 1HB LYS 2 1HB LYS 2 17.208 9.555 -2.668 10 2HB LYS 2 2HB LYS 2 16.029 8.628 -3.573 11 1HG LYS 2 1HG LYS 2 14.675 10.740 -4.010 12 2HG LYS 2 2HG LYS 2 15.887 11.676 -3.136 13 1HD LYS 2 1HD LYS 2 17.671 10.901 -4.806 14 2HD LYS 2 2HD LYS 2 16.444 9.975 -5.652 15 1HE LYS 2 1HE LYS 2 16.670 11.971 -6.932 16 2HE LYS 2 2HE LYS 2 15.137 12.168 -6.080 17 1HZ LYS 2 1HZ LYS 2 16.444 13.459 -4.362 18 2HZ LYS 2 2HZ LYS 2 16.394 14.186 -5.831 19 H GLU 3 H GLU 3 17.155 8.395 -0.195 20 HA GLU 3 HA GLU 3 16.370 5.456 -0.279 21 1HB GLU 3 1HB GLU 3 18.561 5.056 0.850 22 2HB GLU 3 2HB GLU 3 18.689 5.914 -0.663 23 1HG GLU 3 1HG GLU 3 20.323 6.819 0.929 24 2HG GLU 3 2HG GLU 3 19.181 8.073 0.507 25 HE1 GLU 3 HE2 GLU 3 19.390 6.691 4.240 26 H ASP 4 H ASP 4 14.617 7.186 1.162 27 HA ASP 4 HA ASP 4 14.595 5.983 3.965 28 1HB ASP 4 1HB ASP 4 13.379 7.970 4.494 29 2HB ASP 4 2HB ASP 4 14.787 8.467 3.619 30 HD2 ASP 4 HD2 ASP 4 11.158 9.489 2.436 31 H ASN 5 H ASN 5 11.807 6.595 4.236 32 HA ASN 5 HA ASN 5 10.638 3.953 3.365 33 1HB ASN 5 1HB ASN 5 9.333 6.327 4.847 34 2HB ASN 5 2HB ASN 5 8.516 4.828 4.448 35 1HD2 ASN 5 1HD2 ASN 5 9.451 4.156 7.835 36 2HD2 ASN 5 2HD2 ASN 5 8.173 4.954 6.770 37 H ILE 6 H ILE 6 10.465 4.027 1.028 38 HA ILE 6 HA ILE 6 9.462 6.462 -0.352 39 HB ILE 6 HB ILE 6 10.045 3.845 -1.813 40 1HG1 ILE 6 2HG1 ILE 6 12.322 5.480 -0.657 41 2HG1 ILE 6 1HG1 ILE 6 11.815 3.867 -0.314 42 1HG2 ILE 6 1HG2 ILE 6 9.292 5.928 -3.128 43 2HG2 ILE 6 2HG2 ILE 6 10.721 6.804 -2.524 44 3HG2 ILE 6 3HG2 ILE 6 10.897 5.409 -3.612 45 1HD1 ILE 6 3HD1 ILE 6 12.318 3.058 -2.657 46 2HD1 ILE 6 1HD1 ILE 6 12.984 4.665 -3.043 47 3HD1 ILE 6 2HD1 ILE 6 13.755 3.661 -1.797 48 H GLU 7 H GLU 7 7.815 6.460 -1.718 49 HA GLU 7 HA GLU 7 5.706 4.321 -1.481 50 1HB GLU 7 1HB GLU 7 3.825 5.848 -2.098 51 2HB GLU 7 2HB GLU 7 4.533 6.013 -0.503 52 1HG GLU 7 1HG GLU 7 5.860 7.897 -1.162 53 2HG GLU 7 2HG GLU 7 5.524 7.681 -2.854 54 HE1 GLU 7 HE2 GLU 7 2.398 9.272 -2.684 55 H MET 8 H MET 8 5.230 3.332 -2.786 56 HA MET 8 HA MET 8 6.592 3.622 -5.615 57 1HB MET 8 1HB MET 8 8.123 3.236 -3.588 58 2HB MET 8 2HB MET 8 7.236 1.771 -3.178 59 1HG MET 8 1HG MET 8 8.355 0.554 -4.692 60 2HG MET 8 2HG MET 8 8.365 1.860 -5.904 61 1HE MET 8 1HE MET 8 10.792 -0.127 -5.409 62 2HE MET 8 3HE MET 8 10.836 1.208 -6.605 63 3HE MET 8 2HE MET 8 12.181 1.003 -5.441 64 H GLN 9 H GLN 9 4.259 1.831 -3.988 65 HA GLN 9 HA GLN 9 4.227 -0.420 -5.506 66 1HB GLN 9 1HB GLN 9 3.023 0.477 -3.251 67 2HB GLN 9 2HB GLN 9 1.772 -0.342 -4.109 68 1HG GLN 9 1HG GLN 9 2.750 -1.878 -2.595 69 2HG GLN 9 2HG GLN 9 3.555 -2.348 -4.065 70 1HE2 GLN 9 2HE2 GLN 9 6.154 -1.825 -1.326 71 2HE2 GLN 9 1HE2 GLN 9 4.810 -3.021 -1.692 72 H GLY 10 H GLY 10 1.467 -1.022 -5.837 73 1HA GLY 10 2HA GLY 10 1.565 -0.643 -8.902 74 2HA GLY 10 1HA GLY 10 1.866 -2.219 -8.191 75 H THR 11 H THR 11 0.216 -3.602 -8.074 76 HA THR 11 HA THR 11 -2.567 -2.614 -8.961 77 HB THR 11 HB THR 11 -0.939 -5.120 -9.827 78 HG1 THR 11 HG1 THR 11 -0.618 -2.951 -10.781 79 1HG2 THR 11 2HG2 THR 11 -3.397 -5.740 -9.746 80 2HG2 THR 11 3HG2 THR 11 -3.744 -4.370 -10.844 81 3HG2 THR 11 1HG2 THR 11 -2.731 -5.711 -11.393 82 H VAL 12 H VAL 12 -4.390 -3.666 -7.791 83 HA VAL 12 HA VAL 12 -3.473 -4.454 -5.035 84 HB VAL 12 HB VAL 12 -6.235 -4.308 -6.301 85 1HG1 VAL 12 1HG2 VAL 12 -5.468 -5.131 -3.496 86 2HG1 VAL 12 2HG2 VAL 12 -7.082 -4.524 -3.942 87 3HG1 VAL 12 3HG2 VAL 12 -6.485 -6.006 -4.673 88 1HG2 VAL 12 1HG1 VAL 12 -5.135 -2.392 -4.239 89 2HG2 VAL 12 2HG1 VAL 12 -5.565 -2.027 -5.925 90 3HG2 VAL 12 3HG1 VAL 12 -6.812 -2.541 -4.822 91 H LEU 13 H LEU 13 -2.732 -6.987 -5.256 92 HA LEU 13 HA LEU 13 -4.218 -8.793 -7.160 93 1HB LEU 13 1HB LEU 13 -2.342 -9.806 -4.977 94 2HB LEU 13 2HB LEU 13 -3.051 -10.717 -6.274 95 HG LEU 13 HG LEU 13 -0.991 -8.469 -6.638 96 1HD1 LEU 13 3HD2 LEU 13 -0.770 -11.558 -6.832 97 2HD1 LEU 13 1HD2 LEU 13 0.522 -10.439 -7.288 98 3HD1 LEU 13 2HD2 LEU 13 -0.018 -10.511 -5.600 99 1HD2 LEU 13 2HD1 LEU 13 -2.235 -10.367 -8.757 100 2HD2 LEU 13 3HD1 LEU 13 -2.433 -8.598 -8.678 101 3HD2 LEU 13 1HD1 LEU 13 -0.846 -9.290 -9.042 102 H GLU 14 H GLU 14 -4.244 -8.409 -3.632 103 HA GLU 14 HA GLU 14 -7.197 -9.322 -3.726 104 1HB GLU 14 1HB GLU 14 -5.860 -11.093 -2.725 105 2HB GLU 14 2HB GLU 14 -5.078 -9.964 -1.615 106 1HG GLU 14 1HG GLU 14 -6.537 -11.101 -0.275 107 2HG GLU 14 2HG GLU 14 -7.336 -9.606 -0.455 108 HE2 GLU 14 HE2 GLU 14 -9.266 -12.812 -1.464 109 H THR 15 H THR 15 -8.315 -8.533 -2.052 110 HA THR 15 HA THR 15 -7.782 -5.638 -0.957 111 HB THR 15 HB THR 15 -10.246 -5.195 -0.902 112 HG1 THR 15 HG1 THR 15 -10.876 -7.341 -1.608 113 1HG2 THR 15 2HG2 THR 15 -8.552 -4.120 -2.452 114 2HG2 THR 15 3HG2 THR 15 -9.047 -5.269 -3.712 115 3HG2 THR 15 1HG2 THR 15 -10.214 -4.077 -3.056 116 H LEU 16 H LEU 16 -7.243 -6.485 0.911 117 HA LEU 16 HA LEU 16 -8.229 -9.124 1.904 118 1HB LEU 16 1HB LEU 16 -5.967 -7.083 2.328 119 2HB LEU 16 2HB LEU 16 -6.349 -7.995 3.699 120 HG LEU 16 HG LEU 16 -5.616 -9.193 1.018 121 1HD1 LEU 16 2HD1 LEU 16 -3.772 -7.977 1.999 122 2HD1 LEU 16 3HD1 LEU 16 -3.933 -8.859 3.546 123 3HD1 LEU 16 1HD1 LEU 16 -3.436 -9.715 2.059 124 1HD2 LEU 16 2HD2 LEU 16 -6.959 -10.908 2.217 125 2HD2 LEU 16 3HD2 LEU 16 -5.266 -11.369 2.053 126 3HD2 LEU 16 1HD2 LEU 16 -5.860 -10.788 3.631 127 HA PRO 17 HA PRO 17 -11.282 -8.848 4.886 128 1HB PRO 17 2HB PRO 17 -10.154 -9.034 7.485 129 2HB PRO 17 1HB PRO 17 -10.536 -10.365 6.367 130 1HG PRO 17 2HG PRO 17 -7.986 -8.878 6.998 131 2HG PRO 17 1HG PRO 17 -8.261 -10.647 6.880 132 1HD PRO 17 1HD PRO 17 -7.324 -9.331 4.957 133 2HD PRO 17 2HD PRO 17 -8.584 -10.531 4.510 134 H ASN 18 H ASN 18 -9.216 -6.266 6.343 135 HA ASN 18 HA ASN 18 -11.699 -4.637 7.084 136 1HB ASN 18 1HB ASN 18 -8.757 -4.323 7.521 137 2HB ASN 18 2HB ASN 18 -9.890 -3.067 7.886 138 1HD2 ASN 18 1HD2 ASN 18 -9.326 -4.728 10.996 139 2HD2 ASN 18 2HD2 ASN 18 -8.173 -4.122 9.707 140 H THR 19 H THR 19 -9.015 -3.096 5.711 141 HA THR 19 HA THR 19 -10.031 -3.080 2.838 142 HB THR 19 HB THR 19 -9.982 -0.697 4.593 143 HG1 THR 19 HG1 THR 19 -11.850 -2.267 3.982 144 1HG2 THR 19 3HG2 THR 19 -10.336 -0.869 1.477 145 2HG2 THR 19 1HG2 THR 19 -10.595 0.622 2.403 146 3HG2 THR 19 2HG2 THR 19 -8.962 -0.071 2.273 147 H MET 20 H MET 20 -7.899 -4.443 3.681 148 HA MET 20 HA MET 20 -5.577 -3.028 2.737 149 1HB MET 20 1HB MET 20 -6.437 -5.763 4.055 150 2HB MET 20 2HB MET 20 -4.750 -5.454 3.704 151 1HG MET 20 2HG MET 20 -4.611 -3.724 5.265 152 2HG MET 20 1HG MET 20 -6.298 -3.443 5.443 153 1HE MET 20 1HE MET 20 -6.131 -3.503 8.025 154 2HE MET 20 3HE MET 20 -5.378 -4.817 8.984 155 3HE MET 20 2HE MET 20 -4.366 -3.782 7.938 156 H PHE 21 H PHE 21 -3.906 -4.414 1.701 157 HA PHE 21 HA PHE 21 -4.988 -5.010 -1.211 158 1HB PHE 21 1HB PHE 21 -2.721 -3.075 -0.669 159 2HB PHE 21 2HB PHE 21 -3.567 -3.648 -2.144 160 HD1 PHE 21 HD2 PHE 21 -5.846 -3.275 -2.466 161 HD2 PHE 21 HD1 PHE 21 -3.899 -1.752 0.813 162 HE1 PHE 21 HE2 PHE 21 -8.107 -2.243 -1.564 163 HE2 PHE 21 HE1 PHE 21 -6.235 -1.274 1.673 164 HZ PHE 21 HZ PHE 21 -8.064 -0.743 0.123 165 H ARG 22 H ARG 22 -4.069 -7.121 -1.421 166 HA ARG 22 HA ARG 22 -1.219 -7.811 -0.443 167 1HB ARG 22 1HB ARG 22 -3.007 -9.619 -0.236 168 2HB ARG 22 2HB ARG 22 -2.886 -9.689 -1.980 169 1HG ARG 22 1HG ARG 22 -1.278 -11.234 -1.544 170 2HG ARG 22 2HG ARG 22 -0.206 -9.889 -1.552 171 1HD ARG 22 1HD ARG 22 -0.212 -9.753 0.945 172 2HD ARG 22 2HD ARG 22 -1.474 -10.972 1.054 173 1HH1 ARG 22 2HH2 ARG 22 1.727 -9.795 0.924 174 2HH1 ARG 22 1HH2 ARG 22 3.337 -10.691 0.948 175 1HH2 ARG 22 1HH1 ARG 22 1.742 -13.599 0.270 176 2HH2 ARG 22 2HH1 ARG 22 3.353 -12.748 0.605 177 H VAL 23 H VAL 23 0.013 -6.538 -1.694 178 HA VAL 23 HA VAL 23 -0.989 -5.891 -4.530 179 HB VAL 23 HB VAL 23 1.184 -4.179 -3.300 180 1HG1 VAL 23 3HG2 VAL 23 0.454 -3.697 -5.696 181 2HG1 VAL 23 1HG2 VAL 23 -1.182 -3.407 -5.083 182 3HG1 VAL 23 2HG2 VAL 23 0.171 -2.376 -4.558 183 1HG2 VAL 23 1HG1 VAL 23 -1.779 -4.173 -2.737 184 2HG2 VAL 23 2HG1 VAL 23 -0.517 -4.098 -1.501 185 3HG2 VAL 23 3HG1 VAL 23 -0.903 -2.656 -2.484 186 H GLU 24 H GLU 24 0.113 -5.914 -6.260 187 HA GLU 24 HA GLU 24 2.869 -7.331 -6.311 188 1HB GLU 24 1HB GLU 24 1.088 -8.382 -7.751 189 2HB GLU 24 2HB GLU 24 0.802 -6.878 -8.578 190 1HG GLU 24 1HG GLU 24 2.144 -8.077 -10.106 191 2HG GLU 24 2HG GLU 24 3.317 -6.996 -9.386 192 HE1 GLU 24 HE2 GLU 24 4.980 -9.545 -7.706 193 H LEU 25 H LEU 25 4.409 -5.609 -5.998 194 HA LEU 25 HA LEU 25 4.128 -2.980 -6.600 195 1HB LEU 25 1HB LEU 25 6.293 -5.106 -6.033 196 2HB LEU 25 2HB LEU 25 6.982 -3.941 -6.992 197 HG LEU 25 HG LEU 25 5.464 -3.231 -4.541 198 1HD1 LEU 25 2HD2 LEU 25 7.284 -4.746 -3.841 199 2HD1 LEU 25 3HD2 LEU 25 8.499 -3.764 -4.695 200 3HD1 LEU 25 1HD2 LEU 25 7.649 -3.102 -3.285 201 1HD2 LEU 25 3HD1 LEU 25 6.066 -1.262 -6.163 202 2HD2 LEU 25 1HD1 LEU 25 6.914 -1.088 -4.630 203 3HD2 LEU 25 2HD1 LEU 25 7.776 -1.711 -6.047 204 H GLU 26 H GLU 26 5.961 -1.896 -7.763 205 HA GLU 26 HA GLU 26 5.550 -2.143 -10.774 206 1HB GLU 26 1HB GLU 26 6.761 -0.049 -11.049 207 2HB GLU 26 2HB GLU 26 5.568 0.164 -9.786 208 1HG GLU 26 1HG GLU 26 7.399 -0.047 -8.015 209 2HG GLU 26 2HG GLU 26 8.594 -0.300 -9.274 210 HE1 GLU 26 HE2 GLU 26 6.985 3.375 -9.125 211 H ASN 27 H ASN 27 7.950 -3.287 -8.532 212 HA ASN 27 HA ASN 27 9.810 -4.073 -10.800 213 1HB ASN 27 2HB ASN 27 11.372 -4.448 -9.024 214 2HB ASN 27 1HB ASN 27 10.736 -2.833 -8.820 215 1HD2 ASN 27 1HD2 ASN 27 11.025 -4.139 -5.508 216 2HD2 ASN 27 2HD2 ASN 27 11.993 -3.348 -6.849 217 H GLY 28 H GLY 28 7.006 -5.321 -9.803 218 1HA GLY 28 1HA GLY 28 6.103 -7.534 -9.925 219 2HA GLY 28 2HA GLY 28 7.678 -8.100 -10.383 220 H HIS 29 H HIS 29 7.580 -6.594 -7.308 221 HA HIS 29 HA HIS 29 7.718 -9.298 -5.864 222 1HB HIS 29 1HB HIS 29 8.541 -6.457 -5.015 223 2HB HIS 29 2HB HIS 29 8.430 -7.756 -3.866 224 HD2 HIS 29 HD2 HIS 29 10.292 -7.313 -7.349 225 HE1 HIS 29 HE1 HIS 29 12.769 -9.453 -4.762 226 HE2 HIS 29 HE2 HIS 29 12.680 -8.482 -7.152 227 H VAL 30 H VAL 30 6.142 -10.100 -4.561 228 HA VAL 30 HA VAL 30 3.602 -8.562 -4.248 229 HB VAL 30 HB VAL 30 4.318 -11.467 -3.625 230 1HG1 VAL 30 1HG2 VAL 30 1.554 -10.104 -3.340 231 2HG1 VAL 30 2HG2 VAL 30 1.865 -11.864 -3.257 232 3HG1 VAL 30 3HG2 VAL 30 2.524 -10.790 -2.019 233 1HG2 VAL 30 1HG1 VAL 30 2.503 -10.098 -5.747 234 2HG2 VAL 30 2HG1 VAL 30 4.053 -10.900 -6.072 235 3HG2 VAL 30 3HG1 VAL 30 2.659 -11.864 -5.541 236 H VAL 31 H VAL 31 3.031 -7.525 -2.729 237 HA VAL 31 HA VAL 31 4.277 -7.702 0.098 238 HB VAL 31 HB VAL 31 3.922 -5.251 0.378 239 1HG1 VAL 31 1HG2 VAL 31 6.130 -6.209 -0.489 240 2HG1 VAL 31 2HG2 VAL 31 5.701 -5.593 -2.082 241 3HG1 VAL 31 3HG2 VAL 31 5.882 -4.490 -0.672 242 1HG2 VAL 31 1HG1 VAL 31 2.091 -5.038 -1.484 243 2HG2 VAL 31 2HG1 VAL 31 3.241 -3.719 -1.320 244 3HG2 VAL 31 3HG1 VAL 31 3.429 -4.919 -2.641 245 H THR 32 H THR 32 3.127 -7.048 1.937 246 HA THR 32 HA THR 32 0.048 -7.253 1.758 247 HB THR 32 HB THR 32 2.037 -7.768 4.054 248 HG1 THR 32 HG1 THR 32 1.111 -9.793 3.918 249 1HG2 THR 32 3HG2 THR 32 -1.053 -7.696 4.254 250 2HG2 THR 32 1HG2 THR 32 0.029 -8.412 5.486 251 3HG2 THR 32 2HG2 THR 32 0.083 -6.672 5.151 252 H ALA 33 H ALA 33 -0.780 -5.068 1.531 253 HA ALA 33 HA ALA 33 0.009 -3.169 3.803 254 1HB ALA 33 3HB ALA 33 -0.839 -2.833 0.833 255 2HB ALA 33 1HB ALA 33 -0.414 -1.531 1.966 256 3HB ALA 33 2HB ALA 33 0.818 -2.730 1.523 257 H HIS 34 H HIS 34 -1.323 -1.585 4.477 258 HA HIS 34 HA HIS 34 -4.373 -1.839 4.045 259 1HB HIS 34 1HB HIS 34 -4.459 -0.026 5.991 260 2HB HIS 34 2HB HIS 34 -4.531 -1.700 6.309 261 HD2 HIS 34 HD2 HIS 34 -2.082 1.335 6.522 262 HE1 HIS 34 HE1 HIS 34 -0.526 -1.587 9.057 263 HE2 HIS 34 HE2 HIS 34 -0.140 0.847 8.255 264 H ILE 35 H ILE 35 -5.446 0.344 3.762 265 HA ILE 35 HA ILE 35 -3.694 2.371 2.433 266 HB ILE 35 HB ILE 35 -5.523 3.550 2.146 267 1HG1 ILE 35 1HG1 ILE 35 -7.925 2.341 3.438 268 2HG1 ILE 35 2HG1 ILE 35 -6.741 2.764 4.626 269 1HG2 ILE 35 2HG2 ILE 35 -5.723 1.585 0.658 270 2HG2 ILE 35 3HG2 ILE 35 -6.999 0.972 1.761 271 3HG2 ILE 35 1HG2 ILE 35 -7.243 2.472 0.872 272 1HD1 ILE 35 3HD1 ILE 35 -6.531 5.105 3.369 273 2HD1 ILE 35 1HD1 ILE 35 -8.081 4.671 2.608 274 3HD1 ILE 35 2HD1 ILE 35 -7.923 4.844 4.381 275 H SER 36 H SER 36 -3.700 4.750 3.397 276 HA SER 36 HA SER 36 -3.164 4.857 6.273 277 1HB SER 36 1HB SER 36 -2.704 7.140 5.862 278 2HB SER 36 2HB SER 36 -2.128 6.279 4.463 279 HG SER 36 HG SER 36 -4.775 7.282 4.448 280 H GLY 37 H GLY 37 -4.945 3.878 7.116 281 1HA GLY 37 1HA GLY 37 -7.464 3.630 7.235 282 2HA GLY 37 2HA GLY 37 -6.851 4.214 8.749 283 H LYS 38 H LYS 38 -6.610 6.902 8.017 284 HA LYS 38 HA LYS 38 -9.204 8.040 8.718 285 1HB LYS 38 1HB LYS 38 -8.100 10.077 8.706 286 2HB LYS 38 2HB LYS 38 -6.938 8.885 9.232 287 1HG LYS 38 2HG LYS 38 -6.035 8.707 6.958 288 2HG LYS 38 1HG LYS 38 -7.098 10.021 6.460 289 1HD LYS 38 1HD LYS 38 -4.903 10.283 8.641 290 2HD LYS 38 2HD LYS 38 -4.653 10.704 6.951 291 1HE LYS 38 1HE LYS 38 -6.499 12.459 7.099 292 2HE LYS 38 2HE LYS 38 -6.734 12.054 8.809 293 1HZ LYS 38 1HZ LYS 38 -5.197 13.932 8.524 294 2HZ LYS 38 2HZ LYS 38 -4.170 13.029 7.624 295 H MET 39 H MET 39 -7.672 7.976 5.713 296 HA MET 39 HA MET 39 -9.964 9.185 4.261 297 1HB MET 39 1HB MET 39 -8.799 7.960 2.155 298 2HB MET 39 2HB MET 39 -8.441 9.576 2.694 299 1HG MET 39 1HG MET 39 -6.423 8.903 3.676 300 2HG MET 39 2HG MET 39 -6.787 7.208 3.395 301 1HE MET 39 2HE MET 39 -6.356 5.968 1.119 302 2HE MET 39 1HE MET 39 -5.163 6.674 0.002 303 3HE MET 39 3HE MET 39 -4.756 6.496 1.735 304 H ARG 40 H ARG 40 -9.550 5.682 4.779 305 HA ARG 40 HA ARG 40 -11.284 4.431 3.127 306 1HB ARG 40 1HB ARG 40 -11.368 4.470 6.231 307 2HB ARG 40 2HB ARG 40 -12.281 3.342 5.296 308 1HG ARG 40 2HG ARG 40 -10.199 2.352 4.280 309 2HG ARG 40 1HG ARG 40 -9.246 3.486 5.239 310 1HD ARG 40 1HD ARG 40 -10.147 2.538 7.371 311 2HD ARG 40 2HD ARG 40 -11.064 1.325 6.436 312 1HH1 ARG 40 2HH2 ARG 40 -9.716 0.812 8.586 313 2HH1 ARG 40 1HH2 ARG 40 -8.384 -0.364 9.083 314 1HH2 ARG 40 1HH1 ARG 40 -7.106 -0.180 5.936 315 2HH2 ARG 40 2HH1 ARG 40 -6.918 -0.886 7.639 316 H LYS 41 H LYS 41 -12.508 6.863 5.315 317 HA LYS 41 HA LYS 41 -15.360 6.513 4.250 318 1HB LYS 41 1HB LYS 41 -14.245 7.287 7.054 319 2HB LYS 41 2HB LYS 41 -15.760 7.921 6.570 320 1HG LYS 41 1HG LYS 41 -16.716 5.621 6.213 321 2HG LYS 41 2HG LYS 41 -15.172 4.885 6.606 322 1HD LYS 41 1HD LYS 41 -16.786 6.658 8.566 323 2HD LYS 41 2HD LYS 41 -16.941 4.909 8.462 324 1HE LYS 41 1HE LYS 41 -14.469 4.632 9.041 325 2HE LYS 41 2HE LYS 41 -14.312 6.385 9.195 326 1HZ LYS 41 1HZ LYS 41 -16.206 4.708 10.776 327 2HZ LYS 41 2HZ LYS 41 -16.062 6.326 10.913 328 H ASN 42 H ASN 42 -13.116 8.191 3.462 329 HA ASN 42 HA ASN 42 -14.727 10.731 2.764 330 1HB ASN 42 1HB ASN 42 -12.816 11.248 4.397 331 2HB ASN 42 2HB ASN 42 -11.669 10.595 3.236 332 1HD2 ASN 42 1HD2 ASN 42 -11.514 14.124 2.774 333 2HD2 ASN 42 2HD2 ASN 42 -10.912 12.773 3.860 334 H TYR 43 H TYR 43 -11.939 8.800 1.807 335 HA TYR 43 HA TYR 43 -12.584 8.923 -1.158 336 1HB TYR 43 1HB TYR 43 -10.423 9.285 -1.237 337 2HB TYR 43 2HB TYR 43 -10.102 8.781 0.353 338 HD1 TYR 43 HD2 TYR 43 -9.744 6.255 0.876 339 HD2 TYR 43 HD1 TYR 43 -9.692 7.886 -3.102 340 HE1 TYR 43 HE2 TYR 43 -8.268 4.429 0.137 341 HE2 TYR 43 HE1 TYR 43 -8.219 6.053 -3.824 342 HH TYR 43 HH TYR 43 -7.106 4.241 -3.206 343 H ILE 44 H ILE 44 -14.592 7.515 -0.490 344 HA ILE 44 HA ILE 44 -14.990 5.230 0.048 345 HB ILE 44 HB ILE 44 -16.011 6.207 -2.554 346 1HG1 ILE 44 1HG1 ILE 44 -17.167 6.609 0.276 347 2HG1 ILE 44 2HG1 ILE 44 -16.385 7.847 -0.669 348 1HG2 ILE 44 2HG2 ILE 44 -16.536 3.745 -2.228 349 2HG2 ILE 44 3HG2 ILE 44 -17.279 4.109 -0.651 350 3HG2 ILE 44 1HG2 ILE 44 -18.012 4.702 -2.161 351 1HD1 ILE 44 2HD1 ILE 44 -18.190 7.723 -2.450 352 2HD1 ILE 44 3HD1 ILE 44 -19.090 6.587 -1.411 353 3HD1 ILE 44 1HD1 ILE 44 -18.769 8.239 -0.849 354 H ARG 45 H ARG 45 -13.616 3.978 -0.028 355 HA ARG 45 HA ARG 45 -11.580 3.058 -1.157 356 1HB ARG 45 1HB ARG 45 -11.814 0.623 -0.354 357 2HB ARG 45 2HB ARG 45 -12.096 1.863 0.755 358 1HG ARG 45 1HG ARG 45 -14.615 1.428 0.584 359 2HG ARG 45 2HG ARG 45 -14.361 0.375 -0.795 360 1HD ARG 45 1HD ARG 45 -13.254 -0.232 2.031 361 2HD ARG 45 2HD ARG 45 -14.809 -0.817 1.415 362 1HH1 ARG 45 2HH2 ARG 45 -13.899 -2.523 2.555 363 2HH1 ARG 45 1HH2 ARG 45 -13.227 -4.225 2.319 364 1HH2 ARG 45 1HH1 ARG 45 -12.051 -3.300 -0.731 365 2HH2 ARG 45 2HH1 ARG 45 -12.261 -4.668 0.506 366 H ILE 46 H ILE 46 -10.805 1.165 -1.844 367 HA ILE 46 HA ILE 46 -11.151 0.966 -4.904 368 HB ILE 46 HB ILE 46 -8.827 0.465 -5.078 369 1HG1 ILE 46 1HG1 ILE 46 -7.953 1.701 -2.460 370 2HG1 ILE 46 2HG1 ILE 46 -8.760 0.175 -2.206 371 1HG2 ILE 46 2HG2 ILE 46 -9.588 2.751 -5.517 372 2HG2 ILE 46 3HG2 ILE 46 -9.374 3.185 -3.800 373 3HG2 ILE 46 1HG2 ILE 46 -7.956 2.756 -4.795 374 1HD1 ILE 46 2HD1 ILE 46 -6.619 0.392 -4.403 375 2HD1 ILE 46 3HD1 ILE 46 -6.249 -0.003 -2.686 376 3HD1 ILE 46 1HD1 ILE 46 -7.352 -1.026 -3.630 377 H LEU 47 H LEU 47 -10.117 -1.002 -5.897 378 HA LEU 47 HA LEU 47 -11.686 -3.382 -4.806 379 1HB LEU 47 1HB LEU 47 -13.073 -1.927 -6.374 380 2HB LEU 47 2HB LEU 47 -11.902 -2.209 -7.651 381 HG LEU 47 HG LEU 47 -12.536 -4.630 -7.733 382 1HD1 LEU 47 3HD1 LEU 47 -14.604 -3.910 -5.526 383 2HD1 LEU 47 1HD1 LEU 47 -14.557 -5.440 -6.436 384 3HD1 LEU 47 2HD1 LEU 47 -13.239 -5.033 -5.330 385 1HD2 LEU 47 2HD2 LEU 47 -13.749 -2.963 -9.143 386 2HD2 LEU 47 3HD2 LEU 47 -14.821 -4.289 -8.662 387 3HD2 LEU 47 1HD2 LEU 47 -14.951 -2.710 -7.853 388 H THR 48 H THR 48 -11.285 -5.348 -6.232 389 HA THR 48 HA THR 48 -8.479 -6.082 -5.982 390 HB THR 48 HB THR 48 -10.584 -7.681 -7.344 391 HG1 THR 48 HG1 THR 48 -10.005 -7.438 -4.569 392 1HG2 THR 48 3HG2 THR 48 -8.117 -8.547 -5.707 393 2HG2 THR 48 1HG2 THR 48 -9.349 -9.656 -6.353 394 3HG2 THR 48 2HG2 THR 48 -8.307 -8.739 -7.462 395 H GLY 49 H GLY 49 -7.394 -4.764 -7.160 396 1HA GLY 49 2HA GLY 49 -5.715 -5.353 -9.244 397 2HA GLY 49 1HA GLY 49 -7.162 -4.916 -10.084 398 H ASP 50 H ASP 50 -7.507 -2.906 -7.885 399 HA ASP 50 HA ASP 50 -7.117 -0.677 -9.698 400 1HB ASP 50 1HB ASP 50 -7.774 -0.781 -6.792 401 2HB ASP 50 2HB ASP 50 -7.580 0.722 -7.647 402 HD2 ASP 50 HD2 ASP 50 -10.971 0.507 -7.905 403 H LYS 51 H LYS 51 -5.711 0.962 -9.863 404 HA LYS 51 HA LYS 51 -3.032 0.644 -9.207 405 1HB LYS 51 1HB LYS 51 -4.250 3.199 -10.263 406 2HB LYS 51 2HB LYS 51 -2.585 2.657 -10.378 407 1HG LYS 51 2HG LYS 51 -5.038 1.435 -11.678 408 2HG LYS 51 1HG LYS 51 -3.628 2.166 -12.459 409 1HD LYS 51 2HD LYS 51 -2.444 0.049 -11.207 410 2HD LYS 51 1HD LYS 51 -4.016 -0.644 -11.299 411 1HE LYS 51 1HE LYS 51 -2.479 0.417 -13.784 412 2HE LYS 51 2HE LYS 51 -2.444 -1.256 -13.231 413 1HZ LYS 51 1HZ LYS 51 -4.952 0.180 -13.943 414 2HZ LYS 51 2HZ LYS 51 -4.846 -1.386 -13.498 415 H VAL 52 H VAL 52 -2.740 0.438 -7.385 416 HA VAL 52 HA VAL 52 -2.841 2.566 -5.182 417 HB VAL 52 HB VAL 52 -1.995 0.736 -3.659 418 1HG1 VAL 52 3HG2 VAL 52 -4.485 1.082 -3.838 419 2HG1 VAL 52 1HG2 VAL 52 -4.533 -0.170 -5.108 420 3HG1 VAL 52 2HG2 VAL 52 -4.046 -0.602 -3.457 421 1HG2 VAL 52 2HG1 VAL 52 -0.979 -0.817 -5.405 422 2HG2 VAL 52 3HG1 VAL 52 -2.078 -1.607 -4.213 423 3HG2 VAL 52 1HG1 VAL 52 -2.617 -1.305 -5.877 424 H THR 53 H THR 53 -0.965 3.073 -3.949 425 HA THR 53 HA THR 53 1.790 2.445 -4.996 426 HB THR 53 HB THR 53 0.747 5.394 -5.097 427 HG1 THR 53 HG1 THR 53 0.816 3.462 -6.881 428 1HG2 THR 53 1HG2 THR 53 3.146 5.330 -4.253 429 2HG2 THR 53 2HG2 THR 53 3.604 4.329 -5.658 430 3HG2 THR 53 3HG2 THR 53 3.039 5.993 -5.894 431 H VAL 54 H VAL 54 2.314 1.768 -3.259 432 HA VAL 54 HA VAL 54 1.167 2.516 -0.536 433 HB VAL 54 HB VAL 54 2.417 -0.079 -1.464 434 1HG1 VAL 54 3HG2 VAL 54 2.086 -0.426 0.738 435 2HG1 VAL 54 1HG2 VAL 54 0.332 -0.045 0.625 436 3HG1 VAL 54 2HG2 VAL 54 1.023 -1.445 -0.197 437 1HG2 VAL 54 2HG1 VAL 54 0.239 0.597 -3.029 438 2HG2 VAL 54 3HG1 VAL 54 0.532 -1.048 -2.484 439 3HG2 VAL 54 1HG1 VAL 54 -0.642 -0.034 -1.670 440 H GLU 55 H GLU 55 2.584 2.964 1.209 441 HA GLU 55 HA GLU 55 5.389 3.507 0.259 442 1HB GLU 55 1HB GLU 55 3.926 5.160 1.778 443 2HB GLU 55 2HB GLU 55 4.396 4.076 3.079 444 1HG GLU 55 2HG GLU 55 6.766 4.619 2.524 445 2HG GLU 55 1HG GLU 55 6.269 5.749 1.285 446 HE2 GLU 55 HE2 GLU 55 5.487 8.242 3.465 447 H LEU 56 H LEU 56 7.161 2.575 1.192 448 HA LEU 56 HA LEU 56 6.780 0.088 2.930 449 1HB LEU 56 1HB LEU 56 8.037 -1.374 1.731 450 2HB LEU 56 2HB LEU 56 6.904 -0.742 0.591 451 HG LEU 56 HG LEU 56 9.610 0.631 0.742 452 1HD1 LEU 56 3HD1 LEU 56 9.279 -2.181 -0.509 453 2HD1 LEU 56 1HD1 LEU 56 10.688 -1.115 -0.755 454 3HD1 LEU 56 2HD1 LEU 56 10.324 -1.731 0.864 455 1HD2 LEU 56 3HD2 LEU 56 7.825 1.337 -0.902 456 2HD2 LEU 56 1HD2 LEU 56 9.353 0.880 -1.677 457 3HD2 LEU 56 2HD2 LEU 56 7.955 -0.239 -1.701 458 H THR 57 H THR 57 9.685 -0.449 2.844 459 HA THR 57 HA THR 57 10.769 1.849 4.386 460 HB THR 57 HB THR 57 11.674 -0.013 5.988 461 HG1 THR 57 HG1 THR 57 9.342 -1.202 5.027 462 1HG2 THR 57 3HG2 THR 57 8.893 1.097 6.436 463 2HG2 THR 57 1HG2 THR 57 9.916 0.285 7.674 464 3HG2 THR 57 2HG2 THR 57 10.467 1.800 6.930 465 HA PRO 58 HA PRO 58 14.928 0.454 2.818 466 1HB PRO 58 1HB PRO 58 15.354 0.900 5.715 467 2HB PRO 58 2HB PRO 58 16.502 1.146 4.408 468 1HG PRO 58 1HG PRO 58 15.137 3.302 5.129 469 2HG PRO 58 2HG PRO 58 14.991 2.942 3.410 470 1HD PRO 58 1HD PRO 58 12.920 2.293 5.622 471 2HD PRO 58 2HD PRO 58 12.630 2.887 4.024 472 H TYR 59 H TYR 59 13.819 -0.796 5.854 473 HA TYR 59 HA TYR 59 15.465 -3.350 5.782 474 1HB TYR 59 1HB TYR 59 14.801 -1.717 7.863 475 2HB TYR 59 2HB TYR 59 13.369 -2.632 7.937 476 HD1 TYR 59 HD1 TYR 59 13.431 -5.066 8.628 477 HD2 TYR 59 HD2 TYR 59 17.040 -2.735 8.427 478 HE1 TYR 59 HE1 TYR 59 14.606 -6.756 9.975 479 HE2 TYR 59 HE2 TYR 59 18.202 -4.440 9.780 480 HH TYR 59 HH TYR 59 16.541 -7.373 10.873 481 H ASP 60 H ASP 60 12.030 -2.651 5.816 482 HA ASP 60 HA ASP 60 11.358 -5.662 5.616 483 1HB ASP 60 1HB ASP 60 10.683 -4.300 7.687 484 2HB ASP 60 2HB ASP 60 9.566 -3.400 6.678 485 HD2 ASP 60 HD2 ASP 60 7.206 -5.656 7.518 486 H LEU 61 H LEU 61 11.956 -5.208 3.359 487 HA LEU 61 HA LEU 61 10.255 -3.909 1.540 488 1HB LEU 61 1HB LEU 61 11.762 -6.451 0.691 489 2HB LEU 61 2HB LEU 61 11.329 -5.080 -0.279 490 HG LEU 61 HG LEU 61 13.569 -4.791 -0.144 491 1HD1 LEU 61 2HD1 LEU 61 12.539 -2.627 0.676 492 2HD1 LEU 61 3HD1 LEU 61 12.810 -3.144 2.354 493 3HD1 LEU 61 1HD1 LEU 61 14.188 -2.869 1.286 494 1HD2 LEU 61 2HD2 LEU 61 14.088 -6.643 1.436 495 2HD2 LEU 61 3HD2 LEU 61 15.061 -5.202 1.786 496 3HD2 LEU 61 1HD2 LEU 61 13.688 -5.609 2.825 497 H SER 62 H SER 62 9.419 -7.068 2.745 498 HA SER 62 HA SER 62 7.346 -7.507 0.594 499 1HB SER 62 1HB SER 62 8.599 -9.390 1.718 500 2HB SER 62 2HB SER 62 7.698 -9.063 3.202 501 HG SER 62 HG SER 62 6.444 -9.557 0.662 502 H LYS 63 H LYS 63 7.225 -5.182 2.982 503 HA LYS 63 HA LYS 63 4.187 -5.289 3.145 504 1HB LYS 63 1HB LYS 63 6.377 -4.532 5.200 505 2HB LYS 63 2HB LYS 63 4.708 -4.209 5.422 506 1HG LYS 63 1HG LYS 63 4.702 -6.986 4.761 507 2HG LYS 63 2HG LYS 63 6.135 -6.785 5.708 508 1HD LYS 63 1HD LYS 63 4.703 -5.620 7.527 509 2HD LYS 63 2HD LYS 63 3.286 -5.891 6.519 510 1HE LYS 63 1HE LYS 63 5.089 -8.190 7.592 511 2HE LYS 63 2HE LYS 63 3.699 -7.560 8.479 512 1HZ LYS 63 1HZ LYS 63 2.283 -8.124 6.555 513 2HZ LYS 63 2HZ LYS 63 3.016 -9.455 7.178 514 H GLY 64 H GLY 64 3.310 -3.263 3.963 515 1HA GLY 64 2HA GLY 64 4.414 -0.654 3.911 516 2HA GLY 64 1HA GLY 64 4.023 -0.887 2.210 517 H ARG 65 H ARG 65 2.881 1.158 2.811 518 HA ARG 65 HA ARG 65 -0.038 0.392 3.021 519 1HB ARG 65 1HB ARG 65 -0.633 1.827 4.799 520 2HB ARG 65 2HB ARG 65 0.748 0.888 5.279 521 1HG ARG 65 1HG ARG 65 1.838 2.703 6.028 522 2HG ARG 65 2HG ARG 65 1.910 3.366 4.422 523 1HD ARG 65 1HD ARG 65 0.868 5.055 5.757 524 2HD ARG 65 2HD ARG 65 -0.462 4.384 4.806 525 1HH1 ARG 65 2HH2 ARG 65 -0.079 6.183 7.042 526 2HH1 ARG 65 1HH2 ARG 65 -0.935 6.374 8.666 527 1HH2 ARG 65 1HH1 ARG 65 -1.626 3.058 8.695 528 2HH2 ARG 65 2HH1 ARG 65 -1.782 4.680 9.570 529 H ILE 66 H ILE 66 -0.664 1.418 0.773 530 HA ILE 66 HA ILE 66 -0.557 3.547 -0.336 531 HB ILE 66 HB ILE 66 -3.454 3.107 0.438 532 1HG1 ILE 66 1HG1 ILE 66 -3.549 1.904 -1.814 533 2HG1 ILE 66 2HG1 ILE 66 -1.786 1.933 -1.861 534 1HG2 ILE 66 2HG2 ILE 66 -3.156 5.304 -0.749 535 2HG2 ILE 66 3HG2 ILE 66 -2.256 4.509 -2.054 536 3HG2 ILE 66 1HG2 ILE 66 -3.985 4.153 -1.786 537 1HD1 ILE 66 3HD1 ILE 66 -3.435 0.660 0.435 538 2HD1 ILE 66 1HD1 ILE 66 -2.882 -0.233 -1.038 539 3HD1 ILE 66 2HD1 ILE 66 -1.734 0.363 0.130 540 H VAL 67 H VAL 67 0.179 5.394 0.198 541 HA VAL 67 HA VAL 67 -0.886 7.067 2.498 542 HB VAL 67 HB VAL 67 1.231 8.407 1.993 543 1HG1 VAL 67 3HG2 VAL 67 1.033 6.968 4.022 544 2HG1 VAL 67 1HG2 VAL 67 1.654 5.578 3.106 545 3HG1 VAL 67 2HG2 VAL 67 2.699 6.984 3.410 546 1HG2 VAL 67 2HG1 VAL 67 1.893 7.517 -0.222 547 2HG2 VAL 67 3HG1 VAL 67 3.204 7.394 0.974 548 3HG2 VAL 67 1HG1 VAL 67 2.270 5.948 0.505 549 H PHE 68 H PHE 68 -1.768 9.035 2.236 550 HA PHE 68 HA PHE 68 -2.395 10.049 -0.557 551 1HB PHE 68 1HB PHE 68 -4.045 9.858 1.453 552 2HB PHE 68 2HB PHE 68 -3.229 11.224 2.163 553 HD1 PHE 68 HD1 PHE 68 -5.260 10.066 -0.771 554 HD2 PHE 68 HD2 PHE 68 -3.684 13.499 1.285 555 HE1 PHE 68 HE1 PHE 68 -6.749 11.536 -2.070 556 HE2 PHE 68 HE2 PHE 68 -5.177 14.957 -0.026 557 HZ PHE 68 HZ PHE 68 -6.712 13.980 -1.701 558 H ARG 69 H ARG 69 -0.023 10.278 -0.868 559 HA ARG 69 HA ARG 69 0.821 13.144 -0.721 560 1HB ARG 69 1HB ARG 69 1.766 11.219 1.357 561 2HB ARG 69 2HB ARG 69 3.136 11.711 0.432 562 1HG ARG 69 1HG ARG 69 1.175 13.814 1.570 563 2HG ARG 69 2HG ARG 69 2.397 13.070 2.569 564 1HD ARG 69 1HD ARG 69 3.342 15.174 1.846 565 2HD ARG 69 2HD ARG 69 4.236 13.897 1.061 566 1HH1 ARG 69 2HH2 ARG 69 1.516 16.190 1.285 567 2HH1 ARG 69 1HH2 ARG 69 0.789 17.306 0.007 568 1HH2 ARG 69 1HH1 ARG 69 2.681 15.831 -2.394 569 2HH2 ARG 69 2HH1 ARG 69 1.419 17.112 -1.975 570 H SER 70 H SER 70 3.083 13.435 -1.607 571 HA SER 70 HA SER 70 3.577 11.556 -4.020 572 1HB SER 70 1HB SER 70 3.939 13.483 -5.419 573 2HB SER 70 2HB SER 70 2.383 13.685 -4.624 574 HG SER 70 HG SER 70 4.828 14.793 -3.637 575 H ARG 71 H ARG 71 5.099 10.641 -2.247 576 HA ARG 71 HA ARG 71 7.899 11.802 -2.715 577 1HB ARG 71 1HB ARG 71 6.840 11.762 -0.352 578 2HB ARG 71 2HB ARG 71 6.873 10.003 -0.417 579 1HG ARG 71 1HG ARG 71 9.425 10.130 -0.779 580 2HG ARG 71 2HG ARG 71 9.313 11.885 -0.663 581 1HD ARG 71 1HD ARG 71 8.310 11.531 1.751 582 2HD ARG 71 2HD ARG 71 8.673 9.821 1.551 583 1HH1 ARG 71 2HH2 ARG 71 9.348 13.263 1.712 584 2HH1 ARG 71 1HH2 ARG 71 10.883 14.174 2.180 585 1HH2 ARG 71 1HH1 ARG 71 12.668 11.302 2.026 586 2HH2 ARG 71 2HH1 ARG 71 12.673 13.121 2.350 No H/Q in entry = 586 Start of MODEL 11 1 1H ALA 1 1H ALA 1 23.219 7.316 8.672 2 2H ALA 1 2H ALA 1 24.295 6.685 7.622 3 HA ALA 1 HA ALA 1 22.534 5.743 6.251 4 1HB ALA 1 1HB ALA 1 23.737 4.432 8.004 5 2HB ALA 1 2HB ALA 1 22.576 4.977 9.245 6 3HB ALA 1 3HB ALA 1 22.036 3.930 7.918 7 H LYS 2 H LYS 2 21.145 7.630 5.792 8 HA LYS 2 HA LYS 2 18.703 8.077 7.463 9 1HB LYS 2 1HB LYS 2 19.477 9.097 4.669 10 2HB LYS 2 2HB LYS 2 18.002 9.541 5.495 11 1HG LYS 2 1HG LYS 2 19.313 10.514 7.421 12 2HG LYS 2 2HG LYS 2 20.822 10.136 6.612 13 1HD LYS 2 1HD LYS 2 18.614 11.977 5.470 14 2HD LYS 2 2HD LYS 2 19.991 12.560 6.368 15 1HE LYS 2 1HE LYS 2 20.206 11.064 3.656 16 2HE LYS 2 2HE LYS 2 20.180 12.811 3.841 17 1HZ LYS 2 1HZ LYS 2 22.218 11.039 5.095 18 2HZ LYS 2 2HZ LYS 2 22.184 12.661 5.228 19 H GLU 3 H GLU 3 17.724 5.996 7.600 20 HA GLU 3 HA GLU 3 16.611 4.705 5.137 21 1HB GLU 3 1HB GLU 3 16.660 3.991 8.132 22 2HB GLU 3 2HB GLU 3 15.699 3.114 6.983 23 1HG GLU 3 1HG GLU 3 17.817 2.670 5.559 24 2HG GLU 3 2HG GLU 3 18.770 3.381 6.856 25 HE2 GLU 3 HE2 GLU 3 18.648 0.555 8.761 26 H ASP 4 H ASP 4 15.528 6.999 4.976 27 HA ASP 4 HA ASP 4 12.892 7.320 6.140 28 1HB ASP 4 1HB ASP 4 12.680 9.146 4.547 29 2HB ASP 4 2HB ASP 4 14.254 9.175 5.285 30 HD1 ASP 4 HD2 ASP 4 15.939 8.708 2.323 31 H ASN 5 H ASN 5 10.844 6.873 5.496 32 HA ASN 5 HA ASN 5 10.345 4.524 3.913 33 1HB ASN 5 1HB ASN 5 8.392 6.708 4.909 34 2HB ASN 5 2HB ASN 5 7.845 5.241 4.150 35 1HD2 ASN 5 1HD2 ASN 5 8.216 3.374 7.152 36 2HD2 ASN 5 2HD2 ASN 5 7.878 3.328 5.335 37 H ILE 6 H ILE 6 10.197 4.194 1.729 38 HA ILE 6 HA ILE 6 9.895 6.491 -0.146 39 HB ILE 6 HB ILE 6 10.168 3.601 -1.090 40 1HG1 ILE 6 1HG1 ILE 6 12.530 4.987 0.208 41 2HG1 ILE 6 2HG1 ILE 6 11.658 3.569 0.669 42 1HG2 ILE 6 2HG2 ILE 6 10.025 5.541 -2.777 43 2HG2 ILE 6 3HG2 ILE 6 11.522 6.223 -2.090 44 3HG2 ILE 6 1HG2 ILE 6 11.534 4.654 -2.925 45 1HD1 ILE 6 2HD1 ILE 6 12.341 2.293 -1.400 46 2HD1 ILE 6 3HD1 ILE 6 13.357 3.668 -1.894 47 3HD1 ILE 6 1HD1 ILE 6 13.729 2.777 -0.400 48 H GLU 7 H GLU 7 8.413 6.553 -1.660 49 HA GLU 7 HA GLU 7 5.976 4.797 -1.489 50 1HB GLU 7 1HB GLU 7 4.526 6.460 -2.691 51 2HB GLU 7 2HB GLU 7 4.921 6.741 -1.005 52 1HG GLU 7 1HG GLU 7 6.660 8.302 -1.584 53 2HG GLU 7 2HG GLU 7 6.531 7.944 -3.282 54 HE2 GLU 7 HE2 GLU 7 4.396 10.818 -1.557 55 H MET 8 H MET 8 5.298 3.790 -2.993 56 HA MET 8 HA MET 8 7.071 3.131 -5.372 57 1HB MET 8 1HB MET 8 8.795 3.306 -3.591 58 2HB MET 8 2HB MET 8 7.923 2.262 -2.499 59 1HG MET 8 2HG MET 8 8.316 0.316 -3.854 60 2HG MET 8 1HG MET 8 8.804 1.373 -5.208 61 1HE MET 8 1HE MET 8 10.924 -0.317 -5.446 62 2HE MET 8 3HE MET 8 12.094 -0.631 -4.127 63 3HE MET 8 2HE MET 8 10.411 -1.224 -3.987 64 H GLN 9 H GLN 9 4.927 2.731 -5.642 65 HA GLN 9 HA GLN 9 3.397 0.688 -4.312 66 1HB GLN 9 1HB GLN 9 1.588 1.903 -5.336 67 2HB GLN 9 2HB GLN 9 2.725 2.574 -4.325 68 1HG GLN 9 1HG GLN 9 1.841 4.151 -5.989 69 2HG GLN 9 2HG GLN 9 3.391 4.258 -5.164 70 1HE2 GLN 9 2HE2 GLN 9 3.329 3.623 -9.247 71 2HE2 GLN 9 1HE2 GLN 9 1.897 3.145 -8.184 72 H GLY 10 H GLY 10 1.475 0.599 -6.414 73 1HA GLY 10 2HA GLY 10 2.169 -0.994 -8.700 74 2HA GLY 10 1HA GLY 10 2.126 -2.198 -7.438 75 H THR 11 H THR 11 0.347 -3.445 -7.845 76 HA THR 11 HA THR 11 -2.344 -2.096 -8.514 77 HB THR 11 HB THR 11 -1.152 -4.569 -9.935 78 HG1 THR 11 HG1 THR 11 -0.379 -2.419 -10.499 79 1HG2 THR 11 3HG2 THR 11 -3.817 -3.073 -10.459 80 2HG2 THR 11 1HG2 THR 11 -3.128 -4.361 -11.477 81 3HG2 THR 11 2HG2 THR 11 -3.655 -4.736 -9.825 82 H VAL 12 H VAL 12 -3.981 -2.880 -7.342 83 HA VAL 12 HA VAL 12 -3.512 -4.412 -4.931 84 HB VAL 12 HB VAL 12 -6.208 -4.192 -6.389 85 1HG1 VAL 12 1HG2 VAL 12 -5.510 -5.104 -3.520 86 2HG1 VAL 12 2HG2 VAL 12 -7.148 -4.667 -4.045 87 3HG1 VAL 12 3HG2 VAL 12 -6.355 -6.039 -4.774 88 1HG2 VAL 12 1HG1 VAL 12 -5.251 -2.396 -4.109 89 2HG2 VAL 12 2HG1 VAL 12 -5.779 -1.902 -5.746 90 3HG2 VAL 12 3HG1 VAL 12 -6.930 -2.563 -4.613 91 H LEU 13 H LEU 13 -2.985 -6.885 -5.166 92 HA LEU 13 HA LEU 13 -4.445 -8.505 -7.295 93 1HB LEU 13 1HB LEU 13 -2.552 -9.723 -5.241 94 2HB LEU 13 2HB LEU 13 -3.338 -10.506 -6.582 95 HG LEU 13 HG LEU 13 -1.117 -8.406 -6.760 96 1HD1 LEU 13 3HD2 LEU 13 -1.251 -11.425 -7.478 97 2HD1 LEU 13 1HD2 LEU 13 0.164 -10.397 -7.741 98 3HD1 LEU 13 2HD2 LEU 13 -0.396 -10.714 -6.088 99 1HD2 LEU 13 2HD1 LEU 13 -2.603 -9.786 -9.108 100 2HD2 LEU 13 3HD1 LEU 13 -2.595 -8.044 -8.738 101 3HD2 LEU 13 1HD1 LEU 13 -1.104 -8.835 -9.262 102 H GLU 14 H GLU 14 -4.366 -8.361 -3.728 103 HA GLU 14 HA GLU 14 -7.371 -9.073 -3.882 104 1HB GLU 14 1HB GLU 14 -6.286 -11.042 -3.133 105 2HB GLU 14 2HB GLU 14 -5.325 -10.166 -1.933 106 1HG GLU 14 1HG GLU 14 -6.959 -10.061 -0.331 107 2HG GLU 14 2HG GLU 14 -8.271 -10.038 -1.470 108 HE1 GLU 14 HE2 GLU 14 -8.556 -13.475 -1.630 109 H THR 15 H THR 15 -8.497 -8.349 -2.301 110 HA THR 15 HA THR 15 -7.870 -5.585 -0.859 111 HB THR 15 HB THR 15 -10.222 -5.001 -0.841 112 HG1 THR 15 HG1 THR 15 -10.981 -7.178 -1.378 113 1HG2 THR 15 2HG2 THR 15 -8.609 -4.086 -2.554 114 2HG2 THR 15 3HG2 THR 15 -9.104 -5.375 -3.676 115 3HG2 THR 15 1HG2 THR 15 -10.278 -4.147 -3.172 116 H LEU 16 H LEU 16 -7.369 -6.575 0.981 117 HA LEU 16 HA LEU 16 -8.280 -9.297 1.748 118 1HB LEU 16 1HB LEU 16 -6.157 -7.181 2.420 119 2HB LEU 16 2HB LEU 16 -6.579 -8.165 3.732 120 HG LEU 16 HG LEU 16 -5.577 -9.155 1.051 121 1HD1 LEU 16 2HD1 LEU 16 -3.913 -7.885 2.302 122 2HD1 LEU 16 3HD1 LEU 16 -4.102 -8.962 3.719 123 3HD1 LEU 16 1HD1 LEU 16 -3.462 -9.588 2.172 124 1HD2 LEU 16 3HD2 LEU 16 -6.923 -11.017 2.055 125 2HD2 LEU 16 1HD2 LEU 16 -5.206 -11.372 1.923 126 3HD2 LEU 16 2HD2 LEU 16 -5.886 -10.959 3.518 127 HA PRO 17 HA PRO 17 -11.514 -9.265 4.609 128 1HB PRO 17 1HB PRO 17 -10.475 -9.694 7.211 129 2HB PRO 17 2HB PRO 17 -10.785 -10.919 5.956 130 1HG PRO 17 2HG PRO 17 -8.292 -9.467 6.838 131 2HG PRO 17 1HG PRO 17 -8.533 -11.220 6.547 132 1HD PRO 17 1HD PRO 17 -7.536 -9.701 4.797 133 2HD PRO 17 2HD PRO 17 -8.730 -10.897 4.190 134 H ASN 18 H ASN 18 -9.445 -6.875 6.373 135 HA ASN 18 HA ASN 18 -11.912 -5.216 7.075 136 1HB ASN 18 1HB ASN 18 -9.002 -5.050 7.744 137 2HB ASN 18 2HB ASN 18 -10.110 -3.762 8.091 138 1HD2 ASN 18 1HD2 ASN 18 -9.898 -5.543 11.159 139 2HD2 ASN 18 2HD2 ASN 18 -8.767 -4.593 10.074 140 H THR 19 H THR 19 -9.109 -3.579 5.988 141 HA THR 19 HA THR 19 -9.997 -3.418 3.090 142 HB THR 19 HB THR 19 -10.103 -1.135 4.962 143 HG1 THR 19 HG1 THR 19 -11.895 -2.668 4.141 144 1HG2 THR 19 3HG2 THR 19 -10.144 -1.077 1.828 145 2HG2 THR 19 1HG2 THR 19 -10.599 0.313 2.837 146 3HG2 THR 19 2HG2 THR 19 -8.922 -0.258 2.822 147 H MET 20 H MET 20 -7.881 -4.768 3.845 148 HA MET 20 HA MET 20 -5.575 -3.173 2.947 149 1HB MET 20 1HB MET 20 -6.001 -6.001 4.223 150 2HB MET 20 2HB MET 20 -4.408 -5.421 3.769 151 1HG MET 20 1HG MET 20 -4.775 -3.415 5.253 152 2HG MET 20 2HG MET 20 -6.309 -4.001 5.703 153 1HE MET 20 1HE MET 20 -2.533 -4.077 6.225 154 2HE MET 20 3HE MET 20 -2.155 -5.632 7.018 155 3HE MET 20 2HE MET 20 -2.575 -5.591 5.279 156 H PHE 21 H PHE 21 -3.847 -4.425 1.718 157 HA PHE 21 HA PHE 21 -5.094 -5.054 -1.121 158 1HB PHE 21 1HB PHE 21 -2.833 -3.194 -0.591 159 2HB PHE 21 2HB PHE 21 -3.685 -3.709 -2.060 160 HD1 PHE 21 HD2 PHE 21 -6.011 -3.307 -2.317 161 HD2 PHE 21 HD1 PHE 21 -3.966 -1.841 0.958 162 HE1 PHE 21 HE2 PHE 21 -8.240 -2.359 -1.279 163 HE2 PHE 21 HE1 PHE 21 -6.239 -1.325 1.898 164 HZ PHE 21 HZ PHE 21 -8.152 -0.896 0.443 165 H ARG 22 H ARG 22 -4.272 -7.204 -1.380 166 HA ARG 22 HA ARG 22 -1.400 -7.960 -0.544 167 1HB ARG 22 2HB ARG 22 -3.393 -9.720 -0.562 168 2HB ARG 22 1HB ARG 22 -2.976 -9.788 -2.243 169 1HG ARG 22 1HG ARG 22 -1.453 -11.383 -1.504 170 2HG ARG 22 2HG ARG 22 -0.428 -10.004 -1.453 171 1HD ARG 22 1HD ARG 22 0.018 -11.019 0.624 172 2HD ARG 22 2HD ARG 22 -1.103 -9.731 1.091 173 1HH1 ARG 22 2HH2 ARG 22 -0.667 -10.848 2.996 174 2HH1 ARG 22 1HH2 ARG 22 -1.443 -11.988 4.216 175 1HH2 ARG 22 1HH1 ARG 22 -3.346 -13.363 1.778 176 2HH2 ARG 22 2HH1 ARG 22 -2.894 -13.353 3.573 177 H VAL 23 H VAL 23 -0.156 -6.685 -1.720 178 HA VAL 23 HA VAL 23 -1.090 -5.917 -4.545 179 HB VAL 23 HB VAL 23 1.121 -4.291 -3.269 180 1HG1 VAL 23 3HG2 VAL 23 0.253 -3.737 -5.591 181 2HG1 VAL 23 1HG2 VAL 23 -1.369 -3.473 -4.880 182 3HG1 VAL 23 2HG2 VAL 23 -0.028 -2.432 -4.442 183 1HG2 VAL 23 1HG1 VAL 23 -1.834 -4.151 -2.598 184 2HG2 VAL 23 2HG1 VAL 23 -0.535 -4.285 -1.406 185 3HG2 VAL 23 3HG1 VAL 23 -0.791 -2.744 -2.274 186 H GLU 24 H GLU 24 0.054 -5.924 -6.282 187 HA GLU 24 HA GLU 24 2.729 -7.493 -6.327 188 1HB GLU 24 1HB GLU 24 0.946 -8.362 -7.837 189 2HB GLU 24 2HB GLU 24 0.836 -6.826 -8.678 190 1HG GLU 24 1HG GLU 24 3.241 -7.107 -9.476 191 2HG GLU 24 2HG GLU 24 3.401 -8.593 -8.545 192 HE1 GLU 24 HE2 GLU 24 1.602 -10.505 -10.766 193 H LEU 25 H LEU 25 4.336 -5.970 -5.887 194 HA LEU 25 HA LEU 25 4.056 -3.209 -6.241 195 1HB LEU 25 1HB LEU 25 6.224 -5.360 -5.623 196 2HB LEU 25 2HB LEU 25 6.882 -3.900 -6.124 197 HG LEU 25 HG LEU 25 5.082 -4.138 -3.766 198 1HD1 LEU 25 2HD2 LEU 25 7.366 -5.147 -3.480 199 2HD1 LEU 25 3HD2 LEU 25 8.135 -3.629 -3.991 200 3HD1 LEU 25 1HD2 LEU 25 7.215 -3.700 -2.468 201 1HD2 LEU 25 2HD1 LEU 25 6.576 -1.618 -4.814 202 2HD2 LEU 25 3HD1 LEU 25 4.817 -1.811 -4.608 203 3HD2 LEU 25 1HD1 LEU 25 5.862 -1.759 -3.193 204 H GLU 26 H GLU 26 6.058 -2.087 -7.187 205 HA GLU 26 HA GLU 26 6.059 -2.304 -10.214 206 1HB GLU 26 1HB GLU 26 7.295 -0.171 -10.246 207 2HB GLU 26 2HB GLU 26 5.796 -0.092 -9.349 208 1HG GLU 26 1HG GLU 26 7.118 -0.195 -7.144 209 2HG GLU 26 2HG GLU 26 8.616 -0.194 -8.070 210 HE1 GLU 26 HE2 GLU 26 6.302 3.134 -8.120 211 H ASN 27 H ASN 27 8.149 -3.526 -7.746 212 HA ASN 27 HA ASN 27 10.334 -4.181 -9.746 213 1HB ASN 27 2HB ASN 27 11.559 -4.791 -7.765 214 2HB ASN 27 1HB ASN 27 10.943 -3.175 -7.522 215 1HD2 ASN 27 1HD2 ASN 27 10.600 -4.788 -4.349 216 2HD2 ASN 27 2HD2 ASN 27 11.867 -4.022 -5.434 217 H GLY 28 H GLY 28 7.373 -5.472 -9.267 218 1HA GLY 28 1HA GLY 28 6.484 -7.623 -9.767 219 2HA GLY 28 2HA GLY 28 8.103 -8.194 -10.023 220 H HIS 29 H HIS 29 7.538 -6.959 -6.857 221 HA HIS 29 HA HIS 29 7.376 -9.800 -5.699 222 1HB HIS 29 1HB HIS 29 8.262 -7.105 -4.480 223 2HB HIS 29 2HB HIS 29 7.981 -8.514 -3.501 224 HD2 HIS 29 HD2 HIS 29 10.272 -7.618 -6.596 225 HE1 HIS 29 HE1 HIS 29 12.239 -10.478 -4.284 226 HE2 HIS 29 HE2 HIS 29 12.528 -9.023 -6.395 227 H VAL 30 H VAL 30 5.732 -10.520 -4.388 228 HA VAL 30 HA VAL 30 3.236 -8.842 -4.250 229 HB VAL 30 HB VAL 30 3.741 -11.809 -3.842 230 1HG1 VAL 30 1HG2 VAL 30 1.078 -10.326 -3.316 231 2HG1 VAL 30 2HG2 VAL 30 1.276 -12.099 -3.450 232 3HG1 VAL 30 3HG2 VAL 30 2.038 -11.224 -2.111 233 1HG2 VAL 30 2HG1 VAL 30 3.464 -10.875 -6.201 234 2HG2 VAL 30 3HG1 VAL 30 2.069 -11.898 -5.768 235 3HG2 VAL 30 1HG1 VAL 30 1.934 -10.118 -5.728 236 H VAL 31 H VAL 31 2.976 -7.598 -2.783 237 HA VAL 31 HA VAL 31 4.149 -7.983 0.052 238 HB VAL 31 HB VAL 31 4.057 -5.533 0.404 239 1HG1 VAL 31 3HG2 VAL 31 6.147 -6.650 -0.369 240 2HG1 VAL 31 1HG2 VAL 31 5.765 -6.188 -2.039 241 3HG1 VAL 31 2HG2 VAL 31 6.046 -4.936 -0.784 242 1HG2 VAL 31 2HG1 VAL 31 2.301 -4.790 -1.221 243 2HG2 VAL 31 3HG1 VAL 31 3.819 -3.888 -1.432 244 3HG2 VAL 31 1HG1 VAL 31 3.382 -5.179 -2.578 245 H THR 32 H THR 32 3.101 -7.292 1.882 246 HA THR 32 HA THR 32 0.018 -7.369 1.774 247 HB THR 32 HB THR 32 2.039 -7.848 4.089 248 HG1 THR 32 HG1 THR 32 1.546 -9.503 2.562 249 1HG2 THR 32 3HG2 THR 32 -1.063 -7.692 4.232 250 2HG2 THR 32 1HG2 THR 32 -0.011 -8.372 5.516 251 3HG2 THR 32 2HG2 THR 32 0.085 -6.654 5.093 252 H ALA 33 H ALA 33 -0.752 -5.230 1.473 253 HA ALA 33 HA ALA 33 0.222 -3.173 3.549 254 1HB ALA 33 3HB ALA 33 -0.456 -2.945 0.543 255 2HB ALA 33 1HB ALA 33 -0.029 -1.599 1.619 256 3HB ALA 33 2HB ALA 33 1.154 -2.879 1.322 257 H HIS 34 H HIS 34 -1.028 -1.377 3.832 258 HA HIS 34 HA HIS 34 -4.057 -1.807 3.944 259 1HB HIS 34 1HB HIS 34 -3.905 0.053 5.894 260 2HB HIS 34 2HB HIS 34 -3.939 -1.616 6.231 261 HD2 HIS 34 HD2 HIS 34 -1.614 1.486 6.356 262 HE1 HIS 34 HE1 HIS 34 0.447 -1.534 8.349 263 HE2 HIS 34 HE2 HIS 34 0.572 0.982 7.743 264 H ILE 35 H ILE 35 -5.120 0.483 3.932 265 HA ILE 35 HA ILE 35 -3.468 2.373 2.284 266 HB ILE 35 HB ILE 35 -5.353 3.513 2.049 267 1HG1 ILE 35 1HG1 ILE 35 -7.591 2.568 3.769 268 2HG1 ILE 35 2HG1 ILE 35 -6.260 3.081 4.757 269 1HG2 ILE 35 2HG2 ILE 35 -5.874 1.478 0.808 270 2HG2 ILE 35 3HG2 ILE 35 -6.874 0.918 2.184 271 3HG2 ILE 35 1HG2 ILE 35 -7.340 2.348 1.263 272 1HD1 ILE 35 2HD1 ILE 35 -7.477 4.794 2.462 273 2HD1 ILE 35 3HD1 ILE 35 -7.794 5.009 4.176 274 3HD1 ILE 35 1HD1 ILE 35 -6.167 5.312 3.574 275 H SER 36 H SER 36 -3.362 4.732 3.042 276 HA SER 36 HA SER 36 -2.044 4.923 5.613 277 1HB SER 36 1HB SER 36 -1.695 7.268 4.899 278 2HB SER 36 2HB SER 36 -1.388 6.136 3.606 279 HG SER 36 HG SER 36 -3.448 6.652 2.737 280 H GLY 37 H GLY 37 -4.812 4.344 6.107 281 1HA GLY 37 1HA GLY 37 -6.364 4.750 7.968 282 2HA GLY 37 2HA GLY 37 -5.111 5.749 8.657 283 H LYS 38 H LYS 38 -5.054 7.803 6.885 284 HA LYS 38 HA LYS 38 -7.123 9.577 7.881 285 1HB LYS 38 1HB LYS 38 -5.253 10.084 5.467 286 2HB LYS 38 2HB LYS 38 -5.953 11.258 6.548 287 1HG LYS 38 1HG LYS 38 -4.444 10.305 8.435 288 2HG LYS 38 2HG LYS 38 -3.687 9.271 7.210 289 1HD LYS 38 1HD LYS 38 -3.081 11.335 5.859 290 2HD LYS 38 2HD LYS 38 -3.741 12.373 7.109 291 1HE LYS 38 1HE LYS 38 -1.423 10.345 7.548 292 2HE LYS 38 2HE LYS 38 -1.186 12.041 7.138 293 1HZ LYS 38 1HZ LYS 38 -2.643 11.106 9.561 294 2HZ LYS 38 2HZ LYS 38 -2.383 12.666 9.173 295 H MET 39 H MET 39 -6.713 8.475 4.551 296 HA MET 39 HA MET 39 -9.272 9.725 3.665 297 1HB MET 39 1HB MET 39 -8.870 8.057 1.633 298 2HB MET 39 2HB MET 39 -8.117 9.629 1.728 299 1HG MET 39 1HG MET 39 -6.029 8.752 2.209 300 2HG MET 39 2HG MET 39 -6.674 7.151 2.520 301 1HE MET 39 2HE MET 39 -4.314 7.202 0.672 302 2HE MET 39 1HE MET 39 -5.320 5.720 0.770 303 3HE MET 39 3HE MET 39 -4.842 6.379 -0.821 304 H ARG 40 H ARG 40 -8.730 6.368 4.750 305 HA ARG 40 HA ARG 40 -10.894 4.971 4.226 306 1HB ARG 40 1HB ARG 40 -10.020 5.733 7.108 307 2HB ARG 40 2HB ARG 40 -11.153 4.484 6.731 308 1HG ARG 40 2HG ARG 40 -9.228 3.406 5.236 309 2HG ARG 40 1HG ARG 40 -8.188 4.462 6.197 310 1HD ARG 40 1HD ARG 40 -8.076 2.514 7.441 311 2HD ARG 40 2HD ARG 40 -9.313 3.362 8.338 312 1HH1 ARG 40 2HH2 ARG 40 -11.254 3.090 8.660 313 2HH1 ARG 40 1HH2 ARG 40 -12.715 1.964 8.730 314 1HH2 ARG 40 1HH1 ARG 40 -11.267 -0.061 6.439 315 2HH2 ARG 40 2HH1 ARG 40 -12.733 0.264 7.515 316 H LYS 41 H LYS 41 -11.302 7.967 5.975 317 HA LYS 41 HA LYS 41 -14.312 7.524 6.311 318 1HB LYS 41 1HB LYS 41 -12.244 9.403 7.703 319 2HB LYS 41 2HB LYS 41 -13.923 9.695 7.842 320 1HG LYS 41 1HG LYS 41 -12.502 7.151 8.818 321 2HG LYS 41 2HG LYS 41 -12.978 8.495 9.832 322 1HD LYS 41 1HD LYS 41 -14.933 6.635 8.321 323 2HD LYS 41 2HD LYS 41 -14.486 6.500 10.014 324 1HE LYS 41 1HE LYS 41 -15.471 8.814 10.476 325 2HE LYS 41 2HE LYS 41 -15.963 8.934 8.781 326 1HZ LYS 41 1HZ LYS 41 -16.820 6.741 10.616 327 2HZ LYS 41 2HZ LYS 41 -17.304 6.925 9.066 328 H ASN 42 H ASN 42 -12.768 8.530 4.053 329 HA ASN 42 HA ASN 42 -14.717 10.725 3.091 330 1HB ASN 42 1HB ASN 42 -12.269 11.473 3.029 331 2HB ASN 42 2HB ASN 42 -11.882 10.101 2.005 332 1HD2 ASN 42 1HD2 ASN 42 -12.219 12.839 -0.248 333 2HD2 ASN 42 2HD2 ASN 42 -11.049 12.084 0.947 334 H TYR 43 H TYR 43 -12.717 8.302 1.394 335 HA TYR 43 HA TYR 43 -15.149 6.597 0.800 336 1HB TYR 43 1HB TYR 43 -14.149 6.090 -1.187 337 2HB TYR 43 2HB TYR 43 -13.779 7.757 -1.123 338 HD1 TYR 43 HD1 TYR 43 -12.430 4.304 -0.797 339 HD2 TYR 43 HD2 TYR 43 -11.327 8.448 -1.040 340 HE1 TYR 43 HE1 TYR 43 -10.088 3.660 -0.866 341 HE2 TYR 43 HE2 TYR 43 -8.956 7.782 -1.236 342 HH TYR 43 HH TYR 43 -8.011 4.362 -1.008 343 H ILE 44 H ILE 44 -15.050 4.777 2.317 344 HA ILE 44 HA ILE 44 -12.927 3.771 3.609 345 HB ILE 44 HB ILE 44 -15.115 1.992 2.688 346 1HG1 ILE 44 1HG1 ILE 44 -15.156 3.955 5.040 347 2HG1 ILE 44 2HG1 ILE 44 -16.143 4.058 3.615 348 1HG2 ILE 44 3HG2 ILE 44 -13.213 0.802 3.884 349 2HG2 ILE 44 1HG2 ILE 44 -13.411 1.899 5.268 350 3HG2 ILE 44 2HG2 ILE 44 -14.690 0.734 4.837 351 1HD1 ILE 44 1HD1 ILE 44 -17.333 1.882 4.204 352 2HD1 ILE 44 2HD1 ILE 44 -16.467 1.884 5.762 353 3HD1 ILE 44 3HD1 ILE 44 -17.579 3.207 5.366 354 H ARG 45 H ARG 45 -13.949 1.663 0.981 355 HA ARG 45 HA ARG 45 -11.138 0.929 0.490 356 1HB ARG 45 1HB ARG 45 -12.054 -1.216 -0.383 357 2HB ARG 45 2HB ARG 45 -12.510 -0.796 1.191 358 1HG ARG 45 1HG ARG 45 -14.850 -0.144 0.349 359 2HG ARG 45 2HG ARG 45 -14.296 -0.382 -1.300 360 1HD ARG 45 1HD ARG 45 -15.552 -2.354 -0.724 361 2HD ARG 45 2HD ARG 45 -13.887 -2.878 -0.782 362 1HH1 ARG 45 2HH2 ARG 45 -12.674 -3.769 0.457 363 2HH1 ARG 45 1HH2 ARG 45 -12.382 -4.671 2.046 364 1HH2 ARG 45 1HH1 ARG 45 -15.200 -3.362 3.351 365 2HH2 ARG 45 2HH1 ARG 45 -13.699 -4.417 3.617 366 H ILE 46 H ILE 46 -10.876 -0.269 -1.322 367 HA ILE 46 HA ILE 46 -11.317 0.944 -4.053 368 HB ILE 46 HB ILE 46 -8.959 0.846 -4.821 369 1HG1 ILE 46 1HG1 ILE 46 -7.346 1.914 -2.855 370 2HG1 ILE 46 2HG1 ILE 46 -8.369 0.981 -1.769 371 1HG2 ILE 46 2HG2 ILE 46 -10.206 2.874 -4.712 372 2HG2 ILE 46 3HG2 ILE 46 -9.658 3.125 -3.012 373 3HG2 ILE 46 1HG2 ILE 46 -8.464 3.110 -4.354 374 1HD1 ILE 46 2HD1 ILE 46 -6.962 -0.030 -4.307 375 2HD1 ILE 46 3HD1 ILE 46 -6.452 -0.257 -2.595 376 3HD1 ILE 46 1HD1 ILE 46 -7.968 -1.032 -3.211 377 H LEU 47 H LEU 47 -10.124 -0.609 -5.759 378 HA LEU 47 HA LEU 47 -11.801 -3.109 -5.142 379 1HB LEU 47 1HB LEU 47 -12.748 -1.354 -6.749 380 2HB LEU 47 2HB LEU 47 -11.402 -1.668 -7.823 381 HG LEU 47 HG LEU 47 -12.224 -4.035 -8.170 382 1HD1 LEU 47 1HD2 LEU 47 -14.645 -3.128 -6.444 383 2HD1 LEU 47 2HD2 LEU 47 -14.559 -4.630 -7.394 384 3HD1 LEU 47 3HD2 LEU 47 -13.489 -4.406 -6.004 385 1HD2 LEU 47 2HD1 LEU 47 -12.894 -2.200 -9.725 386 2HD2 LEU 47 3HD1 LEU 47 -14.195 -3.388 -9.554 387 3HD2 LEU 47 1HD1 LEU 47 -14.312 -1.823 -8.715 388 H THR 48 H THR 48 -11.309 -5.040 -6.240 389 HA THR 48 HA THR 48 -8.516 -5.884 -6.123 390 HB THR 48 HB THR 48 -10.846 -7.348 -7.268 391 HG1 THR 48 HG1 THR 48 -10.803 -8.293 -5.117 392 1HG2 THR 48 3HG2 THR 48 -8.643 -8.529 -7.741 393 2HG2 THR 48 1HG2 THR 48 -8.258 -8.440 -6.008 394 3HG2 THR 48 2HG2 THR 48 -9.615 -9.445 -6.570 395 H GLY 49 H GLY 49 -7.443 -4.659 -7.388 396 1HA GLY 49 1HA GLY 49 -5.952 -4.897 -9.447 397 2HA GLY 49 2HA GLY 49 -7.387 -5.038 -10.470 398 H ASP 50 H ASP 50 -7.082 -2.755 -7.833 399 HA ASP 50 HA ASP 50 -7.058 -0.404 -9.724 400 1HB ASP 50 1HB ASP 50 -7.757 -0.733 -6.840 401 2HB ASP 50 2HB ASP 50 -7.360 0.828 -7.477 402 HD1 ASP 50 HD2 ASP 50 -10.430 -0.160 -9.606 403 H LYS 51 H LYS 51 -5.574 1.150 -9.770 404 HA LYS 51 HA LYS 51 -2.867 0.677 -9.001 405 1HB LYS 51 1HB LYS 51 -3.865 3.277 -10.151 406 2HB LYS 51 2HB LYS 51 -2.264 2.561 -10.227 407 1HG LYS 51 2HG LYS 51 -4.817 1.631 -11.553 408 2HG LYS 51 1HG LYS 51 -3.325 2.215 -12.307 409 1HD LYS 51 2HD LYS 51 -2.414 -0.078 -11.075 410 2HD LYS 51 1HD LYS 51 -4.079 -0.530 -11.245 411 1HE LYS 51 1HE LYS 51 -3.944 0.029 -13.787 412 2HE LYS 51 2HE LYS 51 -2.207 0.303 -13.576 413 1HZ LYS 51 1HZ LYS 51 -3.675 -2.229 -13.007 414 2HZ LYS 51 2HZ LYS 51 -2.124 -2.012 -12.591 415 H VAL 52 H VAL 52 -3.129 0.523 -6.990 416 HA VAL 52 HA VAL 52 -3.454 2.641 -4.943 417 HB VAL 52 HB VAL 52 -2.397 0.944 -3.358 418 1HG1 VAL 52 3HG2 VAL 52 -4.867 1.025 -3.695 419 2HG1 VAL 52 1HG2 VAL 52 -4.713 -0.174 -5.001 420 3HG1 VAL 52 2HG2 VAL 52 -4.295 -0.618 -3.329 421 1HG2 VAL 52 3HG1 VAL 52 -1.058 -0.517 -4.999 422 2HG2 VAL 52 1HG1 VAL 52 -2.153 -1.409 -3.898 423 3HG2 VAL 52 2HG1 VAL 52 -2.605 -1.169 -5.588 424 H THR 53 H THR 53 -1.821 3.243 -3.247 425 HA THR 53 HA THR 53 0.940 3.559 -4.360 426 HB THR 53 HB THR 53 -0.130 5.904 -2.748 427 HG1 THR 53 HG1 THR 53 0.375 6.263 -5.465 428 1HG2 THR 53 1HG2 THR 53 2.517 5.427 -2.989 429 2HG2 THR 53 2HG2 THR 53 2.325 5.999 -4.646 430 3HG2 THR 53 3HG2 THR 53 1.946 7.061 -3.302 431 H VAL 54 H VAL 54 2.039 2.182 -3.227 432 HA VAL 54 HA VAL 54 1.163 1.516 -0.488 433 HB VAL 54 HB VAL 54 3.074 -0.357 -1.976 434 1HG1 VAL 54 3HG2 VAL 54 1.906 -0.907 0.197 435 2HG1 VAL 54 1HG2 VAL 54 0.369 -0.981 -0.648 436 3HG1 VAL 54 2HG2 VAL 54 1.669 -2.144 -1.032 437 1HG2 VAL 54 2HG1 VAL 54 1.415 0.099 -3.952 438 2HG2 VAL 54 3HG1 VAL 54 1.657 -1.558 -3.425 439 3HG2 VAL 54 1HG1 VAL 54 0.180 -0.631 -2.967 440 H GLU 55 H GLU 55 2.293 3.037 0.640 441 HA GLU 55 HA GLU 55 5.158 3.562 -0.080 442 1HB GLU 55 1HB GLU 55 3.539 5.291 1.093 443 2HB GLU 55 2HB GLU 55 3.876 4.391 2.564 444 1HG GLU 55 2HG GLU 55 6.274 4.981 2.257 445 2HG GLU 55 1HG GLU 55 5.906 5.939 0.849 446 HE2 GLU 55 HE2 GLU 55 5.332 7.392 4.471 447 H LEU 56 H LEU 56 6.944 2.823 1.237 448 HA LEU 56 HA LEU 56 6.530 0.818 3.456 449 1HB LEU 56 1HB LEU 56 7.275 -1.093 2.457 450 2HB LEU 56 2HB LEU 56 6.131 -0.474 1.307 451 HG LEU 56 HG LEU 56 9.127 -0.032 1.076 452 1HD1 LEU 56 1HD1 LEU 56 8.455 -2.536 1.050 453 2HD1 LEU 56 2HD1 LEU 56 7.418 -2.222 -0.342 454 3HD1 LEU 56 3HD1 LEU 56 9.184 -2.023 -0.489 455 1HD2 LEU 56 2HD2 LEU 56 6.909 0.272 -1.031 456 2HD2 LEU 56 3HD2 LEU 56 7.965 1.534 -0.355 457 3HD2 LEU 56 1HD2 LEU 56 8.659 0.289 -1.393 458 H THR 57 H THR 57 9.227 -0.286 3.304 459 HA THR 57 HA THR 57 10.714 2.119 4.337 460 HB THR 57 HB THR 57 11.973 0.301 5.702 461 HG1 THR 57 HG1 THR 57 9.436 -0.889 5.468 462 1HG2 THR 57 2HG2 THR 57 10.884 2.169 6.797 463 2HG2 THR 57 3HG2 THR 57 9.338 1.250 6.832 464 3HG2 THR 57 1HG2 THR 57 10.773 0.657 7.726 465 HA PRO 58 HA PRO 58 14.416 0.735 1.865 466 1HB PRO 58 1HB PRO 58 15.461 1.285 4.583 467 2HB PRO 58 2HB PRO 58 16.298 1.512 3.049 468 1HG PRO 58 1HG PRO 58 15.061 3.684 3.937 469 2HG PRO 58 2HG PRO 58 14.512 3.218 2.337 470 1HD PRO 58 1HD PRO 58 13.119 2.595 5.042 471 2HD PRO 58 2HD PRO 58 12.401 3.187 3.551 472 H TYR 59 H TYR 59 14.065 -0.431 5.118 473 HA TYR 59 HA TYR 59 15.703 -2.935 4.752 474 1HB TYR 59 1HB TYR 59 15.344 -1.278 6.906 475 2HB TYR 59 2HB TYR 59 14.015 -2.277 7.251 476 HD1 TYR 59 HD1 TYR 59 17.708 -2.136 7.008 477 HD2 TYR 59 HD2 TYR 59 14.376 -4.686 7.950 478 HE1 TYR 59 HE1 TYR 59 19.228 -3.730 8.127 479 HE2 TYR 59 HE2 TYR 59 15.904 -6.263 9.058 480 HH TYR 59 HH TYR 59 18.012 -6.726 9.577 481 H ASP 60 H ASP 60 12.307 -2.356 5.431 482 HA ASP 60 HA ASP 60 11.751 -5.397 5.448 483 1HB ASP 60 1HB ASP 60 11.313 -3.951 7.516 484 2HB ASP 60 2HB ASP 60 9.995 -3.180 6.647 485 HD2 ASP 60 HD2 ASP 60 7.792 -5.683 7.242 486 H LEU 61 H LEU 61 12.009 -4.980 3.055 487 HA LEU 61 HA LEU 61 9.882 -4.049 1.484 488 1HB LEU 61 1HB LEU 61 12.166 -6.053 0.993 489 2HB LEU 61 2HB LEU 61 11.002 -5.778 -0.267 490 HG LEU 61 HG LEU 61 11.465 -3.354 -0.367 491 1HD1 LEU 61 3HD1 LEU 61 13.727 -3.883 1.695 492 2HD1 LEU 61 1HD1 LEU 61 13.513 -2.396 0.744 493 3HD1 LEU 61 2HD1 LEU 61 12.307 -2.843 1.944 494 1HD2 LEU 61 2HD2 LEU 61 12.695 -5.018 -1.796 495 2HD2 LEU 61 3HD2 LEU 61 13.730 -3.621 -1.406 496 3HD2 LEU 61 1HD2 LEU 61 13.961 -5.168 -0.548 497 H SER 62 H SER 62 9.279 -6.928 3.185 498 HA SER 62 HA SER 62 7.364 -8.065 1.167 499 1HB SER 62 1HB SER 62 7.898 -8.560 4.181 500 2HB SER 62 2HB SER 62 6.736 -9.451 3.228 501 HG SER 62 HG SER 62 9.335 -9.208 2.196 502 H LYS 63 H LYS 63 7.013 -5.330 3.287 503 HA LYS 63 HA LYS 63 4.021 -5.417 3.001 504 1HB LYS 63 1HB LYS 63 5.992 -4.359 5.173 505 2HB LYS 63 2HB LYS 63 4.320 -3.938 5.171 506 1HG LYS 63 2HG LYS 63 4.018 -5.757 6.506 507 2HG LYS 63 1HG LYS 63 3.868 -6.493 4.915 508 1HD LYS 63 2HD LYS 63 5.457 -7.875 5.143 509 2HD LYS 63 1HD LYS 63 6.681 -6.681 5.540 510 1HE LYS 63 1HE LYS 63 4.771 -8.010 7.593 511 2HE LYS 63 2HE LYS 63 6.438 -8.502 7.282 512 1HZ LYS 63 1HZ LYS 63 6.301 -7.001 9.184 513 2HZ LYS 63 2HZ LYS 63 5.594 -5.832 8.293 514 H GLY 64 H GLY 64 3.060 -3.238 3.529 515 1HA GLY 64 1HA GLY 64 4.279 -0.719 2.763 516 2HA GLY 64 2HA GLY 64 3.573 -1.323 1.317 517 H ARG 65 H ARG 65 2.695 1.029 1.961 518 HA ARG 65 HA ARG 65 -0.151 0.435 2.628 519 1HB ARG 65 1HB ARG 65 -0.413 2.169 4.374 520 2HB ARG 65 2HB ARG 65 0.730 0.944 4.794 521 1HG ARG 65 1HG ARG 65 2.407 2.378 5.236 522 2HG ARG 65 2HG ARG 65 2.280 3.150 3.684 523 1HD ARG 65 1HD ARG 65 1.934 4.860 5.353 524 2HD ARG 65 2HD ARG 65 0.376 4.609 4.547 525 1HH1 ARG 65 2HH2 ARG 65 0.637 6.263 6.433 526 2HH1 ARG 65 1HH2 ARG 65 -0.228 6.557 8.036 527 1HH2 ARG 65 1HH1 ARG 65 -0.574 3.217 8.482 528 2HH2 ARG 65 2HH1 ARG 65 -0.867 4.913 9.157 529 H ILE 66 H ILE 66 -0.513 1.690 0.063 530 HA ILE 66 HA ILE 66 -1.072 3.318 -0.819 531 HB ILE 66 HB ILE 66 -3.768 3.034 0.394 532 1HG1 ILE 66 1HG1 ILE 66 -3.789 0.849 0.409 533 2HG1 ILE 66 2HG1 ILE 66 -4.223 1.028 -1.244 534 1HG2 ILE 66 1HG2 ILE 66 -3.317 4.531 -1.681 535 2HG2 ILE 66 2HG2 ILE 66 -3.273 2.994 -2.582 536 3HG2 ILE 66 3HG2 ILE 66 -4.710 3.442 -1.679 537 1HD1 ILE 66 3HD1 ILE 66 -1.435 0.644 -1.476 538 2HD1 ILE 66 1HD1 ILE 66 -1.804 -0.204 0.045 539 3HD1 ILE 66 2HD1 ILE 66 -2.641 -0.679 -1.432 540 H VAL 67 H VAL 67 0.111 5.030 0.015 541 HA VAL 67 HA VAL 67 -1.200 7.117 1.649 542 HB VAL 67 HB VAL 67 0.811 8.464 1.064 543 1HG1 VAL 67 3HG2 VAL 67 0.691 7.188 3.185 544 2HG1 VAL 67 1HG2 VAL 67 1.416 5.772 2.390 545 3HG1 VAL 67 2HG2 VAL 67 2.351 7.270 2.582 546 1HG2 VAL 67 2HG1 VAL 67 1.607 7.537 -1.075 547 2HG2 VAL 67 3HG1 VAL 67 2.883 7.491 0.157 548 3HG2 VAL 67 1HG1 VAL 67 2.022 6.006 -0.286 549 H PHE 68 H PHE 68 -2.050 9.052 1.171 550 HA PHE 68 HA PHE 68 -3.217 9.404 -1.581 551 1HB PHE 68 1HB PHE 68 -4.490 9.702 0.599 552 2HB PHE 68 2HB PHE 68 -3.528 11.111 0.963 553 HD1 PHE 68 HD1 PHE 68 -6.020 9.677 -1.468 554 HD2 PHE 68 HD2 PHE 68 -4.088 13.262 -0.086 555 HE1 PHE 68 HE1 PHE 68 -7.654 11.041 -2.703 556 HE2 PHE 68 HE2 PHE 68 -5.728 14.614 -1.332 557 HZ PHE 68 HZ PHE 68 -7.512 13.509 -2.640 558 H ARG 69 H ARG 69 -1.491 9.872 -2.915 559 HA ARG 69 HA ARG 69 -0.310 12.691 -2.677 560 1HB ARG 69 1HB ARG 69 1.203 10.511 -2.048 561 2HB ARG 69 2HB ARG 69 1.315 10.312 -3.766 562 1HG ARG 69 1HG ARG 69 3.242 11.608 -3.283 563 2HG ARG 69 2HG ARG 69 2.153 12.845 -3.827 564 1HD ARG 69 1HD ARG 69 3.145 13.749 -1.848 565 2HD ARG 69 2HD ARG 69 1.549 13.297 -1.295 566 1HH1 ARG 69 2HH2 ARG 69 0.797 12.038 0.046 567 2HH1 ARG 69 1HH2 ARG 69 1.077 11.017 1.550 568 1HH2 ARG 69 1HH1 ARG 69 4.364 10.703 0.832 569 2HH2 ARG 69 2HH1 ARG 69 2.973 10.257 1.951 570 H SER 70 H SER 70 0.009 13.843 -4.537 571 HA SER 70 HA SER 70 -1.460 12.941 -7.031 572 1HB SER 70 1HB SER 70 -1.414 15.260 -7.684 573 2HB SER 70 2HB SER 70 -1.911 15.194 -5.999 574 HG SER 70 HG SER 70 0.746 15.694 -6.947 575 H ARG 71 H ARG 71 0.466 11.304 -6.992 576 HA ARG 71 HA ARG 71 2.932 12.081 -8.346 577 1HB ARG 71 2HB ARG 71 3.356 9.681 -8.391 578 2HB ARG 71 1HB ARG 71 2.881 10.223 -6.811 579 1HG ARG 71 1HG ARG 71 0.687 9.133 -6.963 580 2HG ARG 71 2HG ARG 71 0.836 8.862 -8.686 581 1HD ARG 71 1HD ARG 71 2.738 7.209 -8.298 582 2HD ARG 71 2HD ARG 71 2.680 7.555 -6.576 583 1HH1 ARG 71 2HH2 ARG 71 1.100 6.835 -9.704 584 2HH1 ARG 71 1HH2 ARG 71 -0.248 5.643 -10.119 585 1HH2 ARG 71 1HH1 ARG 71 -0.730 4.975 -6.836 586 2HH2 ARG 71 2HH1 ARG 71 -1.245 4.661 -8.567 No H/Q in entry = 586 Start of MODEL 12 1 1H ALA 1 1H ALA 1 18.838 11.601 8.039 2 2H ALA 1 2H ALA 1 19.914 11.810 6.836 3 HA ALA 1 HA ALA 1 20.309 9.493 6.574 4 1HB ALA 1 1HB ALA 1 21.661 10.850 8.176 5 2HB ALA 1 2HB ALA 1 20.507 10.512 9.491 6 3HB ALA 1 3HB ALA 1 21.470 9.195 8.782 7 H LYS 2 H LYS 2 17.963 9.874 9.280 8 HA LYS 2 HA LYS 2 17.372 6.910 9.250 9 1HB LYS 2 1HB LYS 2 16.045 7.280 11.211 10 2HB LYS 2 2HB LYS 2 17.600 8.050 11.398 11 1HG LYS 2 1HG LYS 2 16.498 10.320 10.891 12 2HG LYS 2 2HG LYS 2 14.940 9.525 10.774 13 1HD LYS 2 1HD LYS 2 16.728 9.466 13.290 14 2HD LYS 2 2HD LYS 2 15.489 10.665 13.018 15 1HE LYS 2 1HE LYS 2 14.914 7.624 13.219 16 2HE LYS 2 2HE LYS 2 14.816 8.754 14.566 17 1HZ LYS 2 1HZ LYS 2 12.636 8.499 13.603 18 2HZ LYS 2 2HZ LYS 2 13.132 10.029 13.289 19 H GLU 3 H GLU 3 15.740 9.708 7.964 20 HA GLU 3 HA GLU 3 13.103 8.337 7.527 21 1HB GLU 3 1HB GLU 3 12.348 10.461 6.732 22 2HB GLU 3 2HB GLU 3 13.253 10.706 8.205 23 1HG GLU 3 1HG GLU 3 14.154 11.428 5.332 24 2HG GLU 3 2HG GLU 3 13.644 12.539 6.578 25 HE2 GLU 3 HE2 GLU 3 17.402 11.724 6.191 26 H ASP 4 H ASP 4 14.770 6.732 6.329 27 HA ASP 4 HA ASP 4 14.967 7.174 3.404 28 1HB ASP 4 1HB ASP 4 15.351 4.714 5.216 29 2HB ASP 4 2HB ASP 4 15.983 4.809 3.585 30 HD2 ASP 4 HD2 ASP 4 18.052 6.361 6.540 31 H ASN 5 H ASN 5 12.359 6.657 4.601 32 HA ASN 5 HA ASN 5 11.167 4.303 3.348 33 1HB ASN 5 1HB ASN 5 9.637 6.903 4.137 34 2HB ASN 5 2HB ASN 5 8.873 5.392 3.686 35 1HD2 ASN 5 1HD2 ASN 5 8.564 5.086 7.201 36 2HD2 ASN 5 2HD2 ASN 5 7.745 5.570 5.620 37 H ILE 6 H ILE 6 10.722 3.908 1.170 38 HA ILE 6 HA ILE 6 10.306 6.152 -0.778 39 HB ILE 6 HB ILE 6 10.487 3.216 -1.597 40 1HG1 ILE 6 2HG1 ILE 6 12.904 4.725 -0.563 41 2HG1 ILE 6 1HG1 ILE 6 12.153 3.270 -0.028 42 1HG2 ILE 6 1HG2 ILE 6 10.131 5.048 -3.358 43 2HG2 ILE 6 2HG2 ILE 6 11.673 5.792 -2.875 44 3HG2 ILE 6 3HG2 ILE 6 11.637 4.176 -3.619 45 1HD1 ILE 6 3HD1 ILE 6 12.779 2.003 -2.120 46 2HD1 ILE 6 1HD1 ILE 6 13.656 3.440 -2.709 47 3HD1 ILE 6 2HD1 ILE 6 14.198 2.610 -1.235 48 H GLU 7 H GLU 7 8.683 6.130 -2.184 49 HA GLU 7 HA GLU 7 6.225 4.453 -1.643 50 1HB GLU 7 1HB GLU 7 4.569 6.022 -2.423 51 2HB GLU 7 2HB GLU 7 5.393 6.399 -0.943 52 1HG GLU 7 2HG GLU 7 6.849 7.909 -2.327 53 2HG GLU 7 1HG GLU 7 5.957 7.455 -3.757 54 HE2 GLU 7 HE2 GLU 7 3.489 9.799 -3.205 55 H MET 8 H MET 8 5.559 3.255 -2.866 56 HA MET 8 HA MET 8 7.010 2.977 -5.626 57 1HB MET 8 1HB MET 8 8.688 3.021 -3.765 58 2HB MET 8 2HB MET 8 7.821 1.794 -2.850 59 1HG MET 8 2HG MET 8 8.510 0.108 -4.260 60 2HG MET 8 1HG MET 8 8.903 1.246 -5.574 61 1HE MET 8 1HE MET 8 11.224 -0.214 -5.766 62 2HE MET 8 3HE MET 8 12.390 -0.387 -4.420 63 3HE MET 8 2HE MET 8 10.793 -1.186 -4.323 64 H GLN 9 H GLN 9 4.250 2.380 -5.068 65 HA GLN 9 HA GLN 9 4.226 -0.495 -5.758 66 1HB GLN 9 1HB GLN 9 3.341 0.543 -3.366 67 2HB GLN 9 2HB GLN 9 1.957 -0.124 -4.172 68 1HG GLN 9 1HG GLN 9 2.655 -1.882 -2.860 69 2HG GLN 9 2HG GLN 9 3.624 -2.332 -4.214 70 1HE2 GLN 9 2HE2 GLN 9 6.563 -1.337 -2.105 71 2HE2 GLN 9 1HE2 GLN 9 6.060 -1.120 -3.853 72 H GLY 10 H GLY 10 1.513 -1.054 -5.910 73 1HA GLY 10 2HA GLY 10 1.436 -0.507 -8.942 74 2HA GLY 10 1HA GLY 10 1.733 -2.102 -8.283 75 H THR 11 H THR 11 0.130 -3.530 -8.241 76 HA THR 11 HA THR 11 -2.689 -2.439 -8.879 77 HB THR 11 HB THR 11 -1.446 -5.202 -9.605 78 HG1 THR 11 HG1 THR 11 -2.182 -3.139 -11.399 79 1HG2 THR 11 2HG2 THR 11 -4.109 -3.882 -10.528 80 2HG2 THR 11 3HG2 THR 11 -3.417 -5.396 -11.163 81 3HG2 THR 11 1HG2 THR 11 -3.948 -5.312 -9.476 82 H VAL 12 H VAL 12 -4.173 -2.809 -7.312 83 HA VAL 12 HA VAL 12 -3.623 -4.217 -4.847 84 HB VAL 12 HB VAL 12 -6.412 -3.971 -6.138 85 1HG1 VAL 12 1HG2 VAL 12 -5.503 -4.962 -3.372 86 2HG1 VAL 12 2HG2 VAL 12 -7.135 -4.337 -3.664 87 3HG1 VAL 12 3HG2 VAL 12 -6.584 -5.770 -4.520 88 1HG2 VAL 12 1HG1 VAL 12 -5.321 -2.220 -3.881 89 2HG2 VAL 12 2HG1 VAL 12 -5.737 -1.696 -5.547 90 3HG2 VAL 12 3HG1 VAL 12 -6.983 -2.303 -4.482 91 H LEU 13 H LEU 13 -3.020 -6.670 -5.314 92 HA LEU 13 HA LEU 13 -4.770 -8.253 -7.253 93 1HB LEU 13 1HB LEU 13 -2.196 -9.121 -5.902 94 2HB LEU 13 2HB LEU 13 -3.202 -10.159 -6.888 95 HG LEU 13 HG LEU 13 -1.985 -7.505 -7.908 96 1HD1 LEU 13 3HD1 LEU 13 -1.061 -10.412 -8.372 97 2HD1 LEU 13 1HD1 LEU 13 -0.410 -8.961 -9.166 98 3HD1 LEU 13 2HD1 LEU 13 -0.224 -9.156 -7.407 99 1HD2 LEU 13 2HD2 LEU 13 -3.412 -9.779 -9.464 100 2HD2 LEU 13 3HD2 LEU 13 -3.982 -8.100 -9.286 101 3HD2 LEU 13 1HD2 LEU 13 -2.522 -8.433 -10.215 102 H GLU 14 H GLU 14 -4.195 -8.330 -3.740 103 HA GLU 14 HA GLU 14 -7.130 -9.292 -3.677 104 1HB GLU 14 1HB GLU 14 -5.679 -11.055 -2.910 105 2HB GLU 14 2HB GLU 14 -4.905 -9.989 -1.737 106 1HG GLU 14 1HG GLU 14 -6.288 -11.280 -0.482 107 2HG GLU 14 2HG GLU 14 -7.172 -9.816 -0.501 108 HE1 GLU 14 HE2 GLU 14 -9.786 -11.063 -2.443 109 H THR 15 H THR 15 -8.181 -8.623 -1.964 110 HA THR 15 HA THR 15 -7.713 -5.788 -0.661 111 HB THR 15 HB THR 15 -10.190 -5.370 -0.648 112 HG1 THR 15 HG1 THR 15 -10.792 -7.505 -1.340 113 1HG2 THR 15 2HG2 THR 15 -8.631 -4.188 -2.193 114 2HG2 THR 15 3HG2 THR 15 -8.921 -5.424 -3.434 115 3HG2 THR 15 1HG2 THR 15 -10.248 -4.354 -2.906 116 H LEU 16 H LEU 16 -7.112 -6.950 1.103 117 HA LEU 16 HA LEU 16 -8.012 -9.577 1.876 118 1HB LEU 16 1HB LEU 16 -6.399 -7.135 2.930 119 2HB LEU 16 2HB LEU 16 -6.764 -8.301 4.040 120 HG LEU 16 HG LEU 16 -4.713 -8.715 3.433 121 1HD1 LEU 16 2HD2 LEU 16 -5.895 -11.005 3.567 122 2HD1 LEU 16 3HD2 LEU 16 -6.200 -10.918 1.811 123 3HD1 LEU 16 1HD2 LEU 16 -4.546 -11.052 2.415 124 1HD2 LEU 16 3HD1 LEU 16 -4.563 -7.499 1.387 125 2HD2 LEU 16 1HD1 LEU 16 -3.752 -9.053 1.261 126 3HD2 LEU 16 2HD1 LEU 16 -5.349 -8.805 0.482 127 HA PRO 17 HA PRO 17 -11.543 -9.634 4.558 128 1HB PRO 17 1HB PRO 17 -10.617 -10.424 7.101 129 2HB PRO 17 2HB PRO 17 -10.814 -11.482 5.681 130 1HG PRO 17 2HG PRO 17 -8.418 -10.086 6.893 131 2HG PRO 17 1HG PRO 17 -8.596 -11.810 6.427 132 1HD PRO 17 1HD PRO 17 -7.535 -10.088 4.892 133 2HD PRO 17 2HD PRO 17 -8.631 -11.282 4.108 134 H ASN 18 H ASN 18 -9.287 -7.562 6.456 135 HA ASN 18 HA ASN 18 -11.581 -5.762 7.366 136 1HB ASN 18 1HB ASN 18 -8.641 -5.866 7.913 137 2HB ASN 18 2HB ASN 18 -9.633 -4.526 8.391 138 1HD2 ASN 18 1HD2 ASN 18 -9.430 -6.521 11.327 139 2HD2 ASN 18 2HD2 ASN 18 -8.274 -5.581 10.259 140 H THR 19 H THR 19 -8.714 -4.251 6.265 141 HA THR 19 HA THR 19 -9.651 -3.854 3.404 142 HB THR 19 HB THR 19 -9.576 -1.682 5.414 143 HG1 THR 19 HG1 THR 19 -11.504 -3.140 4.749 144 1HG2 THR 19 3HG2 THR 19 -10.010 -1.515 2.308 145 2HG2 THR 19 1HG2 THR 19 -10.316 -0.148 3.389 146 3HG2 THR 19 2HG2 THR 19 -8.661 -0.754 3.178 147 H MET 20 H MET 20 -7.404 -5.216 4.047 148 HA MET 20 HA MET 20 -5.276 -3.427 3.081 149 1HB MET 20 1HB MET 20 -5.242 -6.263 4.391 150 2HB MET 20 2HB MET 20 -3.801 -5.447 3.832 151 1HG MET 20 1HG MET 20 -4.411 -3.481 5.285 152 2HG MET 20 2HG MET 20 -5.780 -4.317 5.874 153 1HE MET 20 1HE MET 20 -4.873 -3.875 8.290 154 2HE MET 20 3HE MET 20 -3.372 -4.562 8.980 155 3HE MET 20 2HE MET 20 -3.276 -3.218 7.812 156 H PHE 21 H PHE 21 -3.582 -4.270 1.734 157 HA PHE 21 HA PHE 21 -4.939 -4.988 -1.021 158 1HB PHE 21 1HB PHE 21 -2.656 -2.963 -0.592 159 2HB PHE 21 2HB PHE 21 -3.589 -3.515 -2.019 160 HD1 PHE 21 HD2 PHE 21 -5.910 -3.270 -2.095 161 HD2 PHE 21 HD1 PHE 21 -3.809 -1.872 1.104 162 HE1 PHE 21 HE2 PHE 21 -8.146 -2.531 -1.000 163 HE2 PHE 21 HE1 PHE 21 -6.127 -1.748 2.261 164 HZ PHE 21 HZ PHE 21 -8.114 -1.312 0.880 165 H ARG 22 H ARG 22 -4.040 -7.067 -1.469 166 HA ARG 22 HA ARG 22 -1.138 -7.753 -0.715 167 1HB ARG 22 2HB ARG 22 -3.006 -9.644 -0.662 168 2HB ARG 22 1HB ARG 22 -2.641 -9.690 -2.360 169 1HG ARG 22 1HG ARG 22 -0.974 -11.176 -1.602 170 2HG ARG 22 2HG ARG 22 -0.098 -9.698 -1.683 171 1HD ARG 22 1HD ARG 22 -0.848 -9.414 0.909 172 2HD ARG 22 2HD ARG 22 -1.089 -11.145 0.851 173 1HH1 ARG 22 2HH2 ARG 22 0.089 -12.753 0.540 174 2HH1 ARG 22 1HH2 ARG 22 1.750 -13.548 0.665 175 1HH2 ARG 22 1HH1 ARG 22 3.241 -10.513 0.511 176 2HH2 ARG 22 2HH1 ARG 22 3.457 -12.337 0.643 177 H VAL 23 H VAL 23 -0.091 -6.380 -1.867 178 HA VAL 23 HA VAL 23 -1.003 -5.692 -4.693 179 HB VAL 23 HB VAL 23 1.190 -4.058 -3.399 180 1HG1 VAL 23 3HG2 VAL 23 0.293 -3.457 -5.727 181 2HG1 VAL 23 1HG2 VAL 23 -1.296 -3.209 -4.984 182 3HG1 VAL 23 2HG2 VAL 23 0.077 -2.181 -4.510 183 1HG2 VAL 23 1HG1 VAL 23 -1.764 -3.975 -2.689 184 2HG2 VAL 23 2HG1 VAL 23 -0.427 -4.038 -1.523 185 3HG2 VAL 23 3HG1 VAL 23 -0.782 -2.529 -2.399 186 H GLU 24 H GLU 24 0.106 -5.788 -6.395 187 HA GLU 24 HA GLU 24 2.887 -7.158 -6.438 188 1HB GLU 24 2HB GLU 24 0.707 -7.054 -8.527 189 2HB GLU 24 1HB GLU 24 2.138 -6.381 -9.184 190 1HG GLU 24 1HG GLU 24 3.519 -8.441 -8.361 191 2HG GLU 24 2HG GLU 24 1.985 -9.236 -8.080 192 HE1 GLU 24 HE2 GLU 24 3.300 -8.564 -11.783 193 H LEU 25 H LEU 25 4.603 -5.602 -6.226 194 HA LEU 25 HA LEU 25 3.981 -2.785 -6.646 195 1HB LEU 25 1HB LEU 25 5.668 -2.566 -5.271 196 2HB LEU 25 2HB LEU 25 5.597 -4.257 -4.994 197 HG LEU 25 HG LEU 25 7.266 -4.286 -6.871 198 1HD1 LEU 25 2HD1 LEU 25 7.675 -1.609 -6.723 199 2HD1 LEU 25 3HD1 LEU 25 7.965 -1.819 -5.001 200 3HD1 LEU 25 1HD1 LEU 25 9.143 -2.402 -6.161 201 1HD2 LEU 25 3HD2 LEU 25 7.623 -5.536 -4.815 202 2HD2 LEU 25 1HD2 LEU 25 9.114 -4.618 -5.056 203 3HD2 LEU 25 2HD2 LEU 25 7.938 -4.063 -3.867 204 H GLU 26 H GLU 26 5.948 -1.621 -7.486 205 HA GLU 26 HA GLU 26 5.843 -1.844 -10.522 206 1HB GLU 26 1HB GLU 26 7.058 0.212 -10.715 207 2HB GLU 26 2HB GLU 26 5.716 0.438 -9.615 208 1HG GLU 26 1HG GLU 26 7.324 0.367 -7.639 209 2HG GLU 26 2HG GLU 26 8.680 0.106 -8.734 210 HE1 GLU 26 HE2 GLU 26 8.806 3.393 -9.735 211 H ASN 27 H ASN 27 7.691 -3.283 -8.122 212 HA ASN 27 HA ASN 27 9.958 -4.040 -10.136 213 1HB ASN 27 2HB ASN 27 10.779 -3.302 -7.930 214 2HB ASN 27 1HB ASN 27 9.576 -4.263 -7.121 215 1HD2 ASN 27 1HD2 ASN 27 12.247 -6.166 -6.315 216 2HD2 ASN 27 2HD2 ASN 27 10.623 -5.476 -5.912 217 H GLY 28 H GLY 28 6.804 -5.063 -9.336 218 1HA GLY 28 1HA GLY 28 5.672 -7.036 -10.073 219 2HA GLY 28 2HA GLY 28 7.190 -7.704 -10.579 220 H HIS 29 H HIS 29 7.641 -7.001 -7.441 221 HA HIS 29 HA HIS 29 7.055 -9.835 -6.468 222 1HB HIS 29 1HB HIS 29 8.734 -7.534 -5.274 223 2HB HIS 29 2HB HIS 29 8.307 -8.938 -4.338 224 HD2 HIS 29 HD2 HIS 29 10.105 -8.305 -7.829 225 HE1 HIS 29 HE1 HIS 29 11.851 -11.628 -6.006 226 HE2 HIS 29 HE2 HIS 29 12.038 -10.115 -8.093 227 H VAL 30 H VAL 30 5.661 -10.353 -4.858 228 HA VAL 30 HA VAL 30 3.400 -8.442 -4.461 229 HB VAL 30 HB VAL 30 3.720 -11.455 -4.008 230 1HG1 VAL 30 1HG2 VAL 30 1.157 -9.821 -3.486 231 2HG1 VAL 30 2HG2 VAL 30 1.270 -11.605 -3.518 232 3HG1 VAL 30 3HG2 VAL 30 2.101 -10.692 -2.252 233 1HG2 VAL 30 2HG1 VAL 30 3.375 -10.584 -6.403 234 2HG2 VAL 30 3HG1 VAL 30 1.997 -11.565 -5.854 235 3HG2 VAL 30 1HG1 VAL 30 1.878 -9.786 -5.872 236 H VAL 31 H VAL 31 2.929 -7.411 -2.849 237 HA VAL 31 HA VAL 31 4.103 -7.944 -0.024 238 HB VAL 31 HB VAL 31 4.177 -5.444 0.341 239 1HG1 VAL 31 3HG2 VAL 31 6.254 -6.718 -0.236 240 2HG1 VAL 31 1HG2 VAL 31 6.045 -6.260 -1.938 241 3HG1 VAL 31 2HG2 VAL 31 6.296 -5.009 -0.681 242 1HG2 VAL 31 1HG1 VAL 31 2.623 -4.693 -1.528 243 2HG2 VAL 31 2HG1 VAL 31 4.191 -3.859 -1.490 244 3HG2 VAL 31 3HG1 VAL 31 3.884 -5.118 -2.712 245 H THR 32 H THR 32 3.049 -7.166 1.791 246 HA THR 32 HA THR 32 -0.034 -7.099 1.582 247 HB THR 32 HB THR 32 1.812 -7.790 3.944 248 HG1 THR 32 HG1 THR 32 0.952 -9.322 2.178 249 1HG2 THR 32 3HG2 THR 32 -1.260 -7.425 4.028 250 2HG2 THR 32 1HG2 THR 32 -0.288 -8.233 5.293 251 3HG2 THR 32 2HG2 THR 32 -0.064 -6.505 4.966 252 H ALA 33 H ALA 33 -0.700 -4.940 1.406 253 HA ALA 33 HA ALA 33 0.238 -3.011 3.631 254 1HB ALA 33 2HB ALA 33 1.130 -2.744 1.313 255 2HB ALA 33 3HB ALA 33 -0.540 -2.648 0.647 256 3HB ALA 33 1HB ALA 33 0.060 -1.414 1.784 257 H HIS 34 H HIS 34 -0.996 -1.117 4.123 258 HA HIS 34 HA HIS 34 -4.029 -1.438 3.751 259 1HB HIS 34 1HB HIS 34 -4.443 -0.367 5.812 260 2HB HIS 34 2HB HIS 34 -3.374 -1.717 6.063 261 HD2 HIS 34 HD2 HIS 34 -3.393 2.175 6.219 262 HE1 HIS 34 HE1 HIS 34 0.011 0.888 8.263 263 HE2 HIS 34 HE2 HIS 34 -1.332 3.011 7.702 264 H ILE 35 H ILE 35 -5.095 0.096 2.474 265 HA ILE 35 HA ILE 35 -3.924 2.483 1.694 266 HB ILE 35 HB ILE 35 -5.550 0.795 0.666 267 1HG1 ILE 35 1HG1 ILE 35 -4.712 2.797 -0.434 268 2HG1 ILE 35 2HG1 ILE 35 -5.975 1.868 -1.107 269 1HG2 ILE 35 2HG2 ILE 35 -7.421 0.932 2.316 270 2HG2 ILE 35 3HG2 ILE 35 -7.742 2.611 1.778 271 3HG2 ILE 35 1HG2 ILE 35 -7.936 1.261 0.642 272 1HD1 ILE 35 3HD1 ILE 35 -6.523 4.276 0.627 273 2HD1 ILE 35 1HD1 ILE 35 -6.274 4.519 -1.127 274 3HD1 ILE 35 2HD1 ILE 35 -7.669 3.583 -0.517 275 H SER 36 H SER 36 -4.308 4.722 2.323 276 HA SER 36 HA SER 36 -4.587 5.073 5.195 277 1HB SER 36 1HB SER 36 -3.456 6.922 4.870 278 2HB SER 36 2HB SER 36 -3.316 6.483 3.205 279 HG SER 36 HG SER 36 -5.698 7.728 3.622 280 H GLY 37 H GLY 37 -6.513 4.277 5.737 281 1HA GLY 37 1HA GLY 37 -9.049 4.614 5.264 282 2HA GLY 37 2HA GLY 37 -8.603 4.645 6.947 283 H LYS 38 H LYS 38 -7.588 7.475 6.725 284 HA LYS 38 HA LYS 38 -9.969 8.867 7.535 285 1HB LYS 38 1HB LYS 38 -7.406 10.153 6.350 286 2HB LYS 38 2HB LYS 38 -8.507 10.846 7.506 287 1HG LYS 38 1HG LYS 38 -7.713 9.094 9.235 288 2HG LYS 38 2HG LYS 38 -6.520 8.538 8.042 289 1HD LYS 38 1HD LYS 38 -5.532 10.878 7.951 290 2HD LYS 38 2HD LYS 38 -6.707 11.424 9.153 291 1HE LYS 38 1HE LYS 38 -5.800 9.741 10.827 292 2HE LYS 38 2HE LYS 38 -4.615 9.183 9.632 293 1HZ LYS 38 1HZ LYS 38 -3.741 11.488 9.542 294 2HZ LYS 38 2HZ LYS 38 -3.639 10.882 11.062 295 H MET 39 H MET 39 -8.360 9.055 4.483 296 HA MET 39 HA MET 39 -10.624 10.503 3.039 297 1HB MET 39 1HB MET 39 -8.721 9.593 1.153 298 2HB MET 39 2HB MET 39 -8.801 11.240 1.780 299 1HG MET 39 1HG MET 39 -6.982 10.619 3.325 300 2HG MET 39 2HG MET 39 -7.003 9.012 2.643 301 1HE MET 39 3HE MET 39 -5.460 8.258 1.017 302 2HE MET 39 2HE MET 39 -6.397 8.781 -0.414 303 3HE MET 39 1HE MET 39 -4.670 9.176 -0.282 304 H ARG 40 H ARG 40 -8.997 7.401 3.001 305 HA ARG 40 HA ARG 40 -10.213 6.271 0.524 306 1HB ARG 40 1HB ARG 40 -8.195 5.365 2.463 307 2HB ARG 40 2HB ARG 40 -8.741 4.568 1.039 308 1HG ARG 40 2HG ARG 40 -7.710 7.534 1.025 309 2HG ARG 40 1HG ARG 40 -6.650 6.263 0.778 310 1HD ARG 40 1HD ARG 40 -6.988 6.794 -1.433 311 2HD ARG 40 2HD ARG 40 -8.328 5.658 -1.328 312 1HH1 ARG 40 2HH2 ARG 40 -7.869 7.082 -3.395 313 2HH1 ARG 40 1HH2 ARG 40 -8.758 8.357 -4.386 314 1HH2 ARG 40 1HH1 ARG 40 -10.340 9.467 -1.609 315 2HH2 ARG 40 2HH1 ARG 40 -10.101 9.645 -3.432 316 H LYS 41 H LYS 41 -10.623 5.773 3.868 317 HA LYS 41 HA LYS 41 -12.997 3.816 3.474 318 1HB LYS 41 1HB LYS 41 -11.010 4.045 5.834 319 2HB LYS 41 2HB LYS 41 -12.602 3.539 6.070 320 1HG LYS 41 1HG LYS 41 -12.347 1.670 4.360 321 2HG LYS 41 2HG LYS 41 -10.665 2.121 4.136 322 1HD LYS 41 1HD LYS 41 -11.880 1.329 6.878 323 2HD LYS 41 2HD LYS 41 -11.226 0.159 5.749 324 1HE LYS 41 1HE LYS 41 -8.944 1.290 5.834 325 2HE LYS 41 2HE LYS 41 -9.581 2.476 6.987 326 1HZ LYS 41 1HZ LYS 41 -9.645 -0.463 7.427 327 2HZ LYS 41 2HZ LYS 41 -10.140 0.658 8.492 328 H ASN 42 H ASN 42 -13.313 6.325 2.862 329 HA ASN 42 HA ASN 42 -15.066 7.620 5.024 330 1HB ASN 42 1HB ASN 42 -13.064 9.001 4.163 331 2HB ASN 42 2HB ASN 42 -13.813 9.074 2.592 332 1HD2 ASN 42 1HD2 ASN 42 -14.705 11.978 4.559 333 2HD2 ASN 42 2HD2 ASN 42 -13.364 10.844 5.092 334 H TYR 43 H TYR 43 -14.747 6.775 1.607 335 HA TYR 43 HA TYR 43 -17.663 6.334 1.039 336 1HB TYR 43 1HB TYR 43 -16.717 5.513 -1.090 337 2HB TYR 43 2HB TYR 43 -16.302 7.142 -0.722 338 HD1 TYR 43 HD2 TYR 43 -13.929 7.793 -0.175 339 HD2 TYR 43 HD1 TYR 43 -14.775 3.718 -1.364 340 HE1 TYR 43 HE2 TYR 43 -11.638 7.497 -0.910 341 HE2 TYR 43 HE1 TYR 43 -12.448 3.485 -2.078 342 HH TYR 43 HH TYR 43 -10.180 6.206 -1.806 343 H ILE 44 H ILE 44 -16.403 3.846 0.007 344 HA ILE 44 HA ILE 44 -16.829 1.953 2.332 345 HB ILE 44 HB ILE 44 -17.007 1.110 -0.503 346 1HG1 ILE 44 2HG1 ILE 44 -19.014 2.793 0.928 347 2HG1 ILE 44 1HG1 ILE 44 -18.458 2.864 -0.687 348 1HG2 ILE 44 3HG2 ILE 44 -16.950 -0.669 1.320 349 2HG2 ILE 44 1HG2 ILE 44 -18.421 0.041 2.027 350 3HG2 ILE 44 2HG2 ILE 44 -18.466 -0.706 0.413 351 1HD1 ILE 44 1HD1 ILE 44 -19.794 0.796 -1.352 352 2HD1 ILE 44 2HD1 ILE 44 -20.483 0.757 0.293 353 3HD1 ILE 44 3HD1 ILE 44 -20.806 2.142 -0.770 354 H ARG 45 H ARG 45 -15.155 0.809 -0.548 355 HA ARG 45 HA ARG 45 -12.462 1.106 0.638 356 1HB ARG 45 2HB ARG 45 -13.516 -1.559 -0.469 357 2HB ARG 45 1HB ARG 45 -11.947 -1.324 0.251 358 1HG ARG 45 1HG ARG 45 -13.230 -0.842 2.505 359 2HG ARG 45 2HG ARG 45 -14.631 -1.534 1.704 360 1HD ARG 45 1HD ARG 45 -11.924 -2.919 2.202 361 2HD ARG 45 2HD ARG 45 -13.430 -3.227 3.070 362 1HH1 ARG 45 2HH2 ARG 45 -12.125 -5.115 2.915 363 2HH1 ARG 45 1HH2 ARG 45 -12.020 -6.754 2.106 364 1HH2 ARG 45 1HH1 ARG 45 -13.841 -5.576 -0.523 365 2HH2 ARG 45 2HH1 ARG 45 -13.026 -7.034 0.281 366 H ILE 46 H ILE 46 -11.057 -0.160 -1.004 367 HA ILE 46 HA ILE 46 -11.380 1.017 -3.811 368 HB ILE 46 HB ILE 46 -9.010 0.891 -4.188 369 1HG1 ILE 46 1HG1 ILE 46 -8.022 1.493 -1.488 370 2HG1 ILE 46 2HG1 ILE 46 -8.875 -0.002 -1.332 371 1HG2 ILE 46 2HG2 ILE 46 -10.038 3.103 -3.894 372 2HG2 ILE 46 3HG2 ILE 46 -9.742 3.014 -2.129 373 3HG2 ILE 46 1HG2 ILE 46 -8.373 3.053 -3.263 374 1HD1 ILE 46 2HD1 ILE 46 -6.902 0.397 -3.654 375 2HD1 ILE 46 3HD1 ILE 46 -6.431 -0.167 -2.022 376 3HD1 ILE 46 1HD1 ILE 46 -7.646 -1.088 -2.971 377 H LEU 47 H LEU 47 -10.257 -0.563 -5.461 378 HA LEU 47 HA LEU 47 -12.067 -2.971 -4.971 379 1HB LEU 47 1HB LEU 47 -12.818 -1.250 -6.710 380 2HB LEU 47 2HB LEU 47 -11.374 -1.614 -7.637 381 HG LEU 47 HG LEU 47 -12.194 -3.979 -7.992 382 1HD1 LEU 47 3HD1 LEU 47 -14.776 -2.971 -6.586 383 2HD1 LEU 47 1HD1 LEU 47 -14.613 -4.504 -7.474 384 3HD1 LEU 47 2HD1 LEU 47 -13.706 -4.255 -5.977 385 1HD2 LEU 47 3HD2 LEU 47 -12.633 -2.178 -9.665 386 2HD2 LEU 47 1HD2 LEU 47 -13.964 -3.345 -9.621 387 3HD2 LEU 47 2HD2 LEU 47 -14.158 -1.753 -8.849 388 H THR 48 H THR 48 -11.505 -4.960 -5.963 389 HA THR 48 HA THR 48 -8.649 -5.729 -5.678 390 HB THR 48 HB THR 48 -10.776 -7.486 -6.794 391 HG1 THR 48 HG1 THR 48 -10.301 -6.948 -4.036 392 1HG2 THR 48 1HG2 THR 48 -8.309 -8.073 -5.054 393 2HG2 THR 48 2HG2 THR 48 -9.508 -9.297 -5.546 394 3HG2 THR 48 3HG2 THR 48 -8.496 -8.496 -6.768 395 H GLY 49 H GLY 49 -7.762 -4.405 -7.063 396 1HA GLY 49 1HA GLY 49 -6.319 -4.849 -9.201 397 2HA GLY 49 2HA GLY 49 -7.822 -4.997 -10.119 398 H ASP 50 H ASP 50 -7.330 -2.648 -7.604 399 HA ASP 50 HA ASP 50 -7.429 -0.351 -9.563 400 1HB ASP 50 1HB ASP 50 -8.040 -0.645 -6.660 401 2HB ASP 50 2HB ASP 50 -7.539 0.914 -7.242 402 HD2 ASP 50 HD2 ASP 50 -10.971 1.181 -7.342 403 H LYS 51 H LYS 51 -5.937 1.206 -9.673 404 HA LYS 51 HA LYS 51 -3.224 0.709 -9.107 405 1HB LYS 51 1HB LYS 51 -4.380 3.294 -10.164 406 2HB LYS 51 2HB LYS 51 -2.742 2.697 -10.308 407 1HG LYS 51 2HG LYS 51 -5.245 1.514 -11.532 408 2HG LYS 51 1HG LYS 51 -3.866 2.253 -12.352 409 1HD LYS 51 1HD LYS 51 -2.738 0.062 -11.029 410 2HD LYS 51 2HD LYS 51 -4.306 -0.575 -11.352 411 1HE LYS 51 1HE LYS 51 -2.475 0.622 -13.558 412 2HE LYS 51 2HE LYS 51 -2.493 -1.088 -13.120 413 1HZ LYS 51 1HZ LYS 51 -4.011 -0.513 -15.006 414 2HZ LYS 51 2HZ LYS 51 -4.934 0.383 -13.990 415 H VAL 52 H VAL 52 -2.823 0.535 -7.294 416 HA VAL 52 HA VAL 52 -2.819 2.728 -5.142 417 HB VAL 52 HB VAL 52 -2.112 0.868 -3.589 418 1HG1 VAL 52 3HG2 VAL 52 -4.617 1.310 -3.702 419 2HG1 VAL 52 1HG2 VAL 52 -4.727 0.099 -5.000 420 3HG1 VAL 52 2HG2 VAL 52 -4.237 -0.391 -3.368 421 1HG2 VAL 52 2HG1 VAL 52 -1.190 -0.723 -5.318 422 2HG2 VAL 52 3HG1 VAL 52 -2.262 -1.453 -4.067 423 3HG2 VAL 52 1HG1 VAL 52 -2.848 -1.177 -5.729 424 H THR 53 H THR 53 -0.908 3.246 -4.118 425 HA THR 53 HA THR 53 1.826 2.392 -5.166 426 HB THR 53 HB THR 53 1.081 5.409 -5.241 427 HG1 THR 53 HG1 THR 53 1.868 3.525 -7.242 428 1HG2 THR 53 2HG2 THR 53 3.485 5.045 -4.433 429 2HG2 THR 53 3HG2 THR 53 3.816 4.088 -5.902 430 3HG2 THR 53 1HG2 THR 53 3.401 5.805 -6.028 431 H VAL 54 H VAL 54 2.550 1.823 -3.449 432 HA VAL 54 HA VAL 54 1.510 2.644 -0.701 433 HB VAL 54 HB VAL 54 2.546 -0.006 -1.645 434 1HG1 VAL 54 3HG2 VAL 54 2.257 -0.303 0.574 435 2HG1 VAL 54 1HG2 VAL 54 0.511 0.130 0.464 436 3HG1 VAL 54 2HG2 VAL 54 1.168 -1.288 -0.361 437 1HG2 VAL 54 2HG1 VAL 54 0.340 0.789 -3.142 438 2HG2 VAL 54 3HG1 VAL 54 0.655 -0.871 -2.658 439 3HG2 VAL 54 1HG1 VAL 54 -0.481 0.092 -1.765 440 H GLU 55 H GLU 55 2.912 3.029 0.998 441 HA GLU 55 HA GLU 55 5.749 3.454 0.065 442 1HB GLU 55 1HB GLU 55 4.296 5.293 1.348 443 2HB GLU 55 2HB GLU 55 4.673 4.328 2.771 444 1HG GLU 55 2HG GLU 55 7.083 4.716 2.251 445 2HG GLU 55 1HG GLU 55 6.676 5.738 0.894 446 HE2 GLU 55 HE2 GLU 55 5.935 8.470 2.781 447 H LEU 56 H LEU 56 7.428 2.597 1.091 448 HA LEU 56 HA LEU 56 7.178 0.608 3.347 449 1HB LEU 56 1HB LEU 56 7.983 -1.235 2.314 450 2HB LEU 56 2HB LEU 56 6.781 -0.693 1.183 451 HG LEU 56 HG LEU 56 9.766 -0.143 0.933 452 1HD1 LEU 56 2HD1 LEU 56 9.274 -2.643 0.876 453 2HD1 LEU 56 3HD1 LEU 56 8.101 -2.400 -0.425 454 3HD1 LEU 56 1HD1 LEU 56 9.837 -2.098 -0.714 455 1HD2 LEU 56 2HD2 LEU 56 7.519 0.190 -1.111 456 2HD2 LEU 56 3HD2 LEU 56 8.644 1.410 -0.475 457 3HD2 LEU 56 1HD2 LEU 56 9.257 0.161 -1.561 458 H THR 57 H THR 57 9.763 -0.283 3.244 459 HA THR 57 HA THR 57 11.621 1.893 3.092 460 HB THR 57 HB THR 57 10.409 2.530 5.144 461 HG1 THR 57 HG1 THR 57 11.559 3.845 5.883 462 1HG2 THR 57 1HG2 THR 57 10.656 0.469 6.648 463 2HG2 THR 57 2HG2 THR 57 12.397 0.852 6.715 464 3HG2 THR 57 3HG2 THR 57 11.209 1.969 7.425 465 HA PRO 58 HA PRO 58 15.143 -0.895 3.055 466 1HB PRO 58 2HB PRO 58 15.658 0.435 5.769 467 2HB PRO 58 1HB PRO 58 16.758 -0.300 4.627 468 1HG PRO 58 1HG PRO 58 16.219 2.366 4.341 469 2HG PRO 58 2HG PRO 58 16.015 1.444 2.847 470 1HD PRO 58 1HD PRO 58 13.751 2.165 4.879 471 2HD PRO 58 2HD PRO 58 13.650 2.374 3.207 472 H TYR 59 H TYR 59 13.724 -0.891 6.255 473 HA TYR 59 HA TYR 59 14.623 -3.739 6.966 474 1HB TYR 59 1HB TYR 59 14.286 -1.459 8.530 475 2HB TYR 59 2HB TYR 59 12.675 -2.000 8.622 476 HD1 TYR 59 HD1 TYR 59 12.103 -4.178 9.794 477 HD2 TYR 59 HD2 TYR 59 16.160 -2.761 9.606 478 HE1 TYR 59 HE1 TYR 59 12.732 -5.717 11.605 479 HE2 TYR 59 HE2 TYR 59 16.774 -4.315 11.422 480 HH TYR 59 HH TYR 59 14.384 -6.500 12.864 481 H ASP 60 H ASP 60 12.089 -2.076 5.737 482 HA ASP 60 HA ASP 60 9.842 -4.170 6.349 483 1HB ASP 60 1HB ASP 60 9.639 -1.741 7.204 484 2HB ASP 60 2HB ASP 60 9.552 -1.205 5.538 485 HD2 ASP 60 HD2 ASP 60 6.264 -1.801 5.209 486 H LEU 61 H LEU 61 11.348 -5.104 4.408 487 HA LEU 61 HA LEU 61 10.468 -4.301 1.794 488 1HB LEU 61 1HB LEU 61 12.018 -6.829 2.503 489 2HB LEU 61 2HB LEU 61 11.875 -6.110 0.911 490 HG LEU 61 HG LEU 61 13.336 -4.889 3.335 491 1HD1 LEU 61 2HD2 LEU 61 14.503 -6.754 2.143 492 2HD1 LEU 61 3HD2 LEU 61 14.341 -5.884 0.593 493 3HD1 LEU 61 1HD2 LEU 61 15.342 -5.203 1.907 494 1HD2 LEU 61 2HD1 LEU 61 12.982 -3.615 0.532 495 2HD2 LEU 61 3HD1 LEU 61 12.340 -2.986 2.069 496 3HD2 LEU 61 1HD1 LEU 61 14.082 -3.038 1.816 497 H SER 62 H SER 62 9.274 -7.090 3.549 498 HA SER 62 HA SER 62 7.543 -7.929 1.196 499 1HB SER 62 1HB SER 62 8.500 -9.606 2.814 500 2HB SER 62 2HB SER 62 7.542 -8.899 4.124 501 HG SER 62 HG SER 62 5.680 -9.286 2.602 502 H LYS 63 H LYS 63 7.184 -5.185 3.154 503 HA LYS 63 HA LYS 63 4.131 -5.303 3.020 504 1HB LYS 63 1HB LYS 63 5.925 -4.871 5.416 505 2HB LYS 63 2HB LYS 63 4.387 -4.162 5.324 506 1HG LYS 63 2HG LYS 63 3.529 -6.611 4.527 507 2HG LYS 63 1HG LYS 63 5.021 -7.125 5.195 508 1HD LYS 63 2HD LYS 63 2.741 -5.484 6.409 509 2HD LYS 63 1HD LYS 63 2.899 -7.221 6.704 510 1HE LYS 63 1HE LYS 63 5.061 -6.844 8.001 511 2HE LYS 63 2HE LYS 63 4.892 -5.093 7.780 512 1HZ LYS 63 1HZ LYS 63 2.684 -5.265 8.891 513 2HZ LYS 63 2HZ LYS 63 3.912 -5.707 9.882 514 H GLY 64 H GLY 64 3.243 -3.246 3.641 515 1HA GLY 64 2HA GLY 64 4.587 -0.644 3.663 516 2HA GLY 64 1HA GLY 64 4.114 -0.901 1.989 517 H ARG 65 H ARG 65 3.056 1.242 2.650 518 HA ARG 65 HA ARG 65 0.108 0.577 2.908 519 1HB ARG 65 1HB ARG 65 -0.406 1.712 4.807 520 2HB ARG 65 2HB ARG 65 1.187 1.168 5.185 521 1HG ARG 65 1HG ARG 65 1.296 3.220 6.104 522 2HG ARG 65 2HG ARG 65 2.009 3.618 4.555 523 1HD ARG 65 1HD ARG 65 -0.149 4.651 3.780 524 2HD ARG 65 2HD ARG 65 -1.019 4.045 5.190 525 1HH1 ARG 65 2HH2 ARG 65 -1.046 6.444 3.854 526 2HH1 ARG 65 1HH2 ARG 65 -0.997 8.199 4.422 527 1HH2 ARG 65 1HH1 ARG 65 1.044 7.313 6.980 528 2HH2 ARG 65 2HH1 ARG 65 0.155 8.683 6.109 529 H ILE 66 H ILE 66 -0.481 1.598 0.645 530 HA ILE 66 HA ILE 66 -0.170 3.609 -0.569 531 HB ILE 66 HB ILE 66 -2.981 3.528 0.266 532 1HG1 ILE 66 1HG1 ILE 66 -3.208 2.129 -1.944 533 2HG1 ILE 66 2HG1 ILE 66 -1.461 2.035 -1.952 534 1HG2 ILE 66 3HG2 ILE 66 -1.737 4.606 -2.345 535 2HG2 ILE 66 1HG2 ILE 66 -3.486 4.387 -2.069 536 3HG2 ILE 66 2HG2 ILE 66 -2.584 5.550 -1.107 537 1HD1 ILE 66 1HD1 ILE 66 -3.235 0.889 0.326 538 2HD1 ILE 66 2HD1 ILE 66 -2.706 -0.049 -1.096 539 3HD1 ILE 66 3HD1 ILE 66 -1.545 0.525 0.080 540 H VAL 67 H VAL 67 0.771 5.392 -0.155 541 HA VAL 67 HA VAL 67 -0.319 7.535 1.678 542 HB VAL 67 HB VAL 67 1.774 8.726 0.945 543 1HG1 VAL 67 3HG2 VAL 67 1.642 7.664 3.171 544 2HG1 VAL 67 1HG2 VAL 67 2.147 6.099 2.507 545 3HG1 VAL 67 2HG2 VAL 67 3.277 7.476 2.540 546 1HG2 VAL 67 2HG1 VAL 67 2.558 7.571 -1.092 547 2HG2 VAL 67 3HG1 VAL 67 3.772 7.497 0.182 548 3HG2 VAL 67 1HG1 VAL 67 2.788 6.059 -0.182 549 H PHE 68 H PHE 68 0.874 7.751 -1.677 550 HA PHE 68 HA PHE 68 -1.683 8.790 -2.756 551 1HB PHE 68 1HB PHE 68 -0.988 11.103 -3.310 552 2HB PHE 68 2HB PHE 68 -1.140 10.840 -1.608 553 HD1 PHE 68 HD1 PHE 68 0.849 10.929 -0.102 554 HD2 PHE 68 HD2 PHE 68 1.277 11.616 -4.325 555 HE1 PHE 68 HE1 PHE 68 3.080 11.904 0.273 556 HE2 PHE 68 HE2 PHE 68 3.500 12.606 -3.927 557 HZ PHE 68 HZ PHE 68 4.404 12.743 -1.636 558 H ARG 69 H ARG 69 -1.757 8.449 -4.946 559 HA ARG 69 HA ARG 69 0.771 7.481 -6.353 560 1HB ARG 69 1HB ARG 69 -1.284 6.108 -6.402 561 2HB ARG 69 2HB ARG 69 -2.153 7.367 -7.279 562 1HG ARG 69 1HG ARG 69 -0.691 7.112 -9.260 563 2HG ARG 69 2HG ARG 69 0.473 6.147 -8.372 564 1HD ARG 69 1HD ARG 69 -1.324 4.329 -8.058 565 2HD ARG 69 2HD ARG 69 -2.402 5.273 -9.078 566 1HH1 ARG 69 2HH2 ARG 69 -0.215 2.836 -8.404 567 2HH1 ARG 69 1HH2 ARG 69 0.743 1.740 -9.522 568 1HH2 ARG 69 1HH1 ARG 69 0.259 3.895 -12.092 569 2HH2 ARG 69 2HH1 ARG 69 1.000 2.296 -11.521 570 H SER 70 H SER 70 1.557 9.714 -6.069 571 HA SER 70 HA SER 70 1.648 11.062 -8.758 572 1HB SER 70 1HB SER 70 0.386 12.590 -6.391 573 2HB SER 70 2HB SER 70 1.071 13.392 -7.800 574 HG SER 70 HG SER 70 -0.752 11.284 -8.240 575 H ARG 71 H ARG 71 3.758 10.060 -8.284 576 HA ARG 71 HA ARG 71 5.566 11.585 -6.364 577 1HB ARG 71 1HB ARG 71 5.404 9.061 -6.366 578 2HB ARG 71 2HB ARG 71 6.023 9.023 -8.016 579 1HG ARG 71 1HG ARG 71 8.178 10.140 -7.181 580 2HG ARG 71 2HG ARG 71 7.535 10.112 -5.539 581 1HD ARG 71 1HD ARG 71 7.411 7.592 -5.600 582 2HD ARG 71 2HD ARG 71 7.952 7.593 -7.292 583 1HH1 ARG 71 2HH2 ARG 71 8.950 5.842 -6.257 584 2HH1 ARG 71 1HH2 ARG 71 10.672 5.255 -5.944 585 1HH2 ARG 71 1HH1 ARG 71 11.617 8.437 -5.254 586 2HH2 ARG 71 2HH1 ARG 71 12.132 6.664 -5.386 No H/Q in entry = 586 Start of MODEL 13 1 1H ALA 1 1H ALA 1 14.830 -1.836 7.223 2 2H ALA 1 2H ALA 1 13.527 -1.020 7.758 3 HA ALA 1 HA ALA 1 14.875 0.784 8.598 4 1HB ALA 1 3HB ALA 1 14.177 -1.150 10.022 5 2HB ALA 1 1HB ALA 1 15.631 -2.064 9.531 6 3HB ALA 1 2HB ALA 1 15.793 -0.582 10.491 7 H LYS 2 H LYS 2 16.153 1.699 6.963 8 HA LYS 2 HA LYS 2 19.091 1.309 7.321 9 1HB LYS 2 1HB LYS 2 18.689 -0.462 5.686 10 2HB LYS 2 2HB LYS 2 17.869 0.632 4.596 11 1HG LYS 2 1HG LYS 2 20.019 1.883 4.174 12 2HG LYS 2 2HG LYS 2 20.834 0.919 5.394 13 1HD LYS 2 1HD LYS 2 21.442 0.088 3.197 14 2HD LYS 2 2HD LYS 2 20.549 -1.157 4.049 15 1HE LYS 2 1HE LYS 2 18.455 -0.574 2.697 16 2HE LYS 2 2HE LYS 2 19.351 0.722 1.881 17 1HZ LYS 2 1HZ LYS 2 19.321 -1.420 0.635 18 2HZ LYS 2 2HZ LYS 2 20.145 -2.160 1.836 19 H GLU 3 H GLU 3 17.437 2.900 4.583 20 HA GLU 3 HA GLU 3 18.309 5.626 5.665 21 1HB GLU 3 1HB GLU 3 19.493 4.487 3.688 22 2HB GLU 3 2HB GLU 3 17.980 4.575 2.803 23 1HG GLU 3 1HG GLU 3 19.383 6.385 2.085 24 2HG GLU 3 2HG GLU 3 18.082 7.138 2.980 25 HE2 GLU 3 HE2 GLU 3 20.139 8.400 5.415 26 H ASP 4 H ASP 4 16.556 6.150 3.303 27 HA ASP 4 HA ASP 4 14.204 7.170 4.838 28 1HB ASP 4 1HB ASP 4 13.926 8.638 2.960 29 2HB ASP 4 2HB ASP 4 15.608 8.599 3.376 30 HD2 ASP 4 HD2 ASP 4 14.379 7.678 -0.257 31 H ASN 5 H ASN 5 12.132 6.499 4.826 32 HA ASN 5 HA ASN 5 11.256 4.132 3.327 33 1HB ASN 5 1HB ASN 5 9.674 6.134 5.051 34 2HB ASN 5 2HB ASN 5 8.917 4.778 4.236 35 1HD2 ASN 5 1HD2 ASN 5 9.541 3.243 7.407 36 2HD2 ASN 5 2HD2 ASN 5 8.324 4.240 6.444 37 H ILE 6 H ILE 6 10.706 4.028 1.213 38 HA ILE 6 HA ILE 6 10.096 6.524 -0.320 39 HB ILE 6 HB ILE 6 10.448 3.791 -1.633 40 1HG1 ILE 6 1HG1 ILE 6 12.813 5.224 -0.395 41 2HG1 ILE 6 2HG1 ILE 6 12.141 3.671 -0.085 42 1HG2 ILE 6 2HG2 ILE 6 9.968 5.853 -3.077 43 2HG2 ILE 6 3HG2 ILE 6 11.458 6.618 -2.465 44 3HG2 ILE 6 1HG2 ILE 6 11.525 5.148 -3.463 45 1HD1 ILE 6 2HD1 ILE 6 12.731 2.786 -2.373 46 2HD1 ILE 6 3HD1 ILE 6 13.561 4.320 -2.735 47 3HD1 ILE 6 1HD1 ILE 6 14.154 3.271 -1.426 48 H GLU 7 H GLU 7 8.501 6.613 -1.736 49 HA GLU 7 HA GLU 7 6.146 4.770 -1.422 50 1HB GLU 7 1HB GLU 7 4.526 6.372 -2.421 51 2HB GLU 7 2HB GLU 7 5.086 6.644 -0.778 52 1HG GLU 7 1HG GLU 7 6.612 8.326 -1.432 53 2HG GLU 7 2HG GLU 7 6.453 7.979 -3.132 54 HE2 GLU 7 HE2 GLU 7 4.627 11.030 -2.381 55 H MET 8 H MET 8 5.478 3.755 -2.833 56 HA MET 8 HA MET 8 7.017 3.257 -5.428 57 1HB MET 8 1HB MET 8 8.857 3.402 -3.779 58 2HB MET 8 2HB MET 8 8.077 2.333 -2.630 59 1HG MET 8 1HG MET 8 8.517 0.413 -3.921 60 2HG MET 8 2HG MET 8 8.740 1.408 -5.370 61 1HE MET 8 3HE MET 8 10.890 -0.311 -5.611 62 2HE MET 8 2HE MET 8 12.314 -0.265 -4.530 63 3HE MET 8 1HE MET 8 10.780 -0.969 -3.944 64 H GLN 9 H GLN 9 4.744 2.958 -5.483 65 HA GLN 9 HA GLN 9 3.349 0.914 -4.084 66 1HB GLN 9 1HB GLN 9 1.391 1.893 -5.202 67 2HB GLN 9 2HB GLN 9 2.465 2.707 -4.236 68 1HG GLN 9 1HG GLN 9 1.443 4.136 -5.865 69 2HG GLN 9 2HG GLN 9 3.069 4.368 -5.260 70 1HE2 GLN 9 2HE2 GLN 9 2.809 3.194 -9.201 71 2HE2 GLN 9 1HE2 GLN 9 1.530 2.638 -8.006 72 H GLY 10 H GLY 10 1.340 0.482 -6.057 73 1HA GLY 10 1HA GLY 10 2.263 -1.906 -7.739 74 2HA GLY 10 2HA GLY 10 1.674 -2.359 -6.251 75 H THR 11 H THR 11 0.575 -3.640 -7.903 76 HA THR 11 HA THR 11 -2.151 -2.490 -8.860 77 HB THR 11 HB THR 11 -0.847 -5.278 -9.478 78 HG1 THR 11 HG1 THR 11 -0.602 -4.308 -11.593 79 1HG2 THR 11 3HG2 THR 11 -3.185 -3.783 -10.882 80 2HG2 THR 11 1HG2 THR 11 -2.511 -5.364 -11.353 81 3HG2 THR 11 2HG2 THR 11 -3.356 -5.193 -9.806 82 H VAL 12 H VAL 12 -3.875 -2.982 -7.541 83 HA VAL 12 HA VAL 12 -3.507 -4.377 -5.020 84 HB VAL 12 HB VAL 12 -6.152 -4.331 -6.609 85 1HG1 VAL 12 1HG2 VAL 12 -5.538 -5.013 -3.631 86 2HG1 VAL 12 2HG2 VAL 12 -7.187 -4.721 -4.213 87 3HG1 VAL 12 3HG2 VAL 12 -6.283 -6.087 -4.822 88 1HG2 VAL 12 1HG1 VAL 12 -5.546 -2.371 -4.405 89 2HG2 VAL 12 2HG1 VAL 12 -5.888 -1.995 -6.102 90 3HG2 VAL 12 3HG1 VAL 12 -7.132 -2.710 -5.091 91 H LEU 13 H LEU 13 -3.026 -6.807 -5.174 92 HA LEU 13 HA LEU 13 -4.566 -8.506 -7.241 93 1HB LEU 13 1HB LEU 13 -1.998 -9.278 -5.809 94 2HB LEU 13 2HB LEU 13 -2.918 -10.275 -6.924 95 HG LEU 13 HG LEU 13 -1.497 -7.620 -7.603 96 1HD1 LEU 13 2HD1 LEU 13 -0.091 -9.675 -7.305 97 2HD1 LEU 13 3HD1 LEU 13 -1.015 -10.493 -8.595 98 3HD1 LEU 13 1HD1 LEU 13 -0.053 -9.037 -8.979 99 1HD2 LEU 13 2HD2 LEU 13 -3.145 -9.400 -9.537 100 2HD2 LEU 13 3HD2 LEU 13 -3.500 -7.713 -9.091 101 3HD2 LEU 13 1HD2 LEU 13 -2.055 -8.078 -10.031 102 H GLU 14 H GLU 14 -4.276 -8.186 -3.797 103 HA GLU 14 HA GLU 14 -7.157 -9.241 -3.902 104 1HB GLU 14 1HB GLU 14 -5.943 -11.076 -3.029 105 2HB GLU 14 2HB GLU 14 -5.077 -10.058 -1.864 106 1HG GLU 14 1HG GLU 14 -6.754 -9.982 -0.302 107 2HG GLU 14 2HG GLU 14 -8.029 -10.140 -1.475 108 HE2 GLU 14 HE2 GLU 14 -8.188 -13.547 -1.223 109 H THR 15 H THR 15 -8.359 -8.478 -2.447 110 HA THR 15 HA THR 15 -7.878 -5.648 -1.068 111 HB THR 15 HB THR 15 -10.311 -5.254 -0.971 112 HG1 THR 15 HG1 THR 15 -10.979 -7.361 -1.637 113 1HG2 THR 15 2HG2 THR 15 -8.617 -4.191 -2.595 114 2HG2 THR 15 3HG2 THR 15 -9.218 -5.305 -3.827 115 3HG2 THR 15 1HG2 THR 15 -10.312 -4.091 -3.082 116 H LEU 16 H LEU 16 -7.165 -6.553 0.707 117 HA LEU 16 HA LEU 16 -8.055 -9.151 1.802 118 1HB LEU 16 1HB LEU 16 -5.929 -6.940 2.249 119 2HB LEU 16 2HB LEU 16 -6.294 -7.922 3.607 120 HG LEU 16 HG LEU 16 -5.311 -8.987 0.963 121 1HD1 LEU 16 2HD1 LEU 16 -3.650 -7.684 2.160 122 2HD1 LEU 16 3HD1 LEU 16 -3.889 -8.650 3.646 123 3HD1 LEU 16 1HD1 LEU 16 -3.197 -9.400 2.178 124 1HD2 LEU 16 3HD2 LEU 16 -6.647 -10.823 2.046 125 2HD2 LEU 16 1HD2 LEU 16 -4.929 -11.176 1.925 126 3HD2 LEU 16 2HD2 LEU 16 -5.606 -10.699 3.501 127 HA PRO 17 HA PRO 17 -11.254 -9.290 4.767 128 1HB PRO 17 2HB PRO 17 -9.761 -8.450 7.100 129 2HB PRO 17 1HB PRO 17 -10.423 -10.050 6.666 130 1HG PRO 17 2HG PRO 17 -7.730 -8.831 6.351 131 2HG PRO 17 1HG PRO 17 -8.187 -10.543 6.623 132 1HD PRO 17 2HD PRO 17 -7.523 -9.742 4.353 133 2HD PRO 17 1HD PRO 17 -8.982 -10.779 4.374 134 H ASN 18 H ASN 18 -9.995 -6.255 6.272 135 HA ASN 18 HA ASN 18 -12.773 -5.075 6.160 136 1HB ASN 18 1HB ASN 18 -10.164 -4.179 7.302 137 2HB ASN 18 2HB ASN 18 -11.571 -3.165 7.274 138 1HD2 ASN 18 1HD2 ASN 18 -11.614 -4.553 10.542 139 2HD2 ASN 18 2HD2 ASN 18 -10.605 -3.384 9.554 140 H THR 19 H THR 19 -9.870 -3.369 5.246 141 HA THR 19 HA THR 19 -10.525 -3.333 2.308 142 HB THR 19 HB THR 19 -10.945 -1.001 4.068 143 HG1 THR 19 HG1 THR 19 -12.553 -2.552 3.145 144 1HG2 THR 19 2HG2 THR 19 -9.455 -0.139 2.074 145 2HG2 THR 19 3HG2 THR 19 -10.622 -0.871 0.953 146 3HG2 THR 19 1HG2 THR 19 -11.093 0.504 1.976 147 H MET 20 H MET 20 -8.442 -4.616 3.192 148 HA MET 20 HA MET 20 -6.101 -2.876 2.656 149 1HB MET 20 1HB MET 20 -6.596 -5.680 3.926 150 2HB MET 20 2HB MET 20 -4.968 -5.046 3.692 151 1HG MET 20 1HG MET 20 -5.685 -3.002 5.013 152 2HG MET 20 2HG MET 20 -7.206 -3.716 5.297 153 1HE MET 20 2HE MET 20 -7.059 -3.647 7.864 154 2HE MET 20 1HE MET 20 -5.704 -4.275 8.850 155 3HE MET 20 3HE MET 20 -5.456 -2.844 7.815 156 H PHE 21 H PHE 21 -4.193 -4.271 1.657 157 HA PHE 21 HA PHE 21 -5.158 -4.898 -1.297 158 1HB PHE 21 1HB PHE 21 -2.970 -2.930 -0.717 159 2HB PHE 21 2HB PHE 21 -3.770 -3.517 -2.196 160 HD1 PHE 21 HD2 PHE 21 -6.047 -3.169 -2.583 161 HD2 PHE 21 HD1 PHE 21 -4.280 -1.634 0.764 162 HE1 PHE 21 HE2 PHE 21 -8.329 -2.219 -1.834 163 HE2 PHE 21 HE1 PHE 21 -6.648 -1.120 1.505 164 HZ PHE 21 HZ PHE 21 -8.426 -0.665 -0.145 165 H ARG 22 H ARG 22 -4.255 -7.020 -1.427 166 HA ARG 22 HA ARG 22 -1.380 -7.597 -0.445 167 1HB ARG 22 1HB ARG 22 -3.268 -9.413 -0.229 168 2HB ARG 22 2HB ARG 22 -2.901 -9.643 -1.933 169 1HG ARG 22 2HG ARG 22 -0.376 -9.846 -1.246 170 2HG ARG 22 1HG ARG 22 -0.918 -9.868 0.427 171 1HD ARG 22 1HD ARG 22 -2.339 -11.914 -0.076 172 2HD ARG 22 2HD ARG 22 -1.767 -11.861 -1.770 173 1HH1 ARG 22 2HH2 ARG 22 -1.817 -14.058 -1.079 174 2HH1 ARG 22 1HH2 ARG 22 -0.657 -15.471 -0.824 175 1HH2 ARG 22 1HH1 ARG 22 1.729 -13.317 0.252 176 2HH2 ARG 22 2HH1 ARG 22 1.278 -15.074 -0.107 177 H VAL 23 H VAL 23 -0.200 -6.385 -1.689 178 HA VAL 23 HA VAL 23 -1.014 -5.857 -4.582 179 HB VAL 23 HB VAL 23 1.075 -4.121 -3.221 180 1HG1 VAL 23 3HG2 VAL 23 0.265 -3.716 -5.593 181 2HG1 VAL 23 1HG2 VAL 23 -1.328 -3.294 -4.959 182 3HG1 VAL 23 2HG2 VAL 23 0.059 -2.303 -4.534 183 1HG2 VAL 23 1HG1 VAL 23 -1.905 -3.988 -2.679 184 2HG2 VAL 23 2HG1 VAL 23 -0.639 -4.044 -1.439 185 3HG2 VAL 23 3HG1 VAL 23 -0.893 -2.553 -2.383 186 H GLU 24 H GLU 24 0.273 -5.964 -6.217 187 HA GLU 24 HA GLU 24 3.063 -7.320 -5.987 188 1HB GLU 24 1HB GLU 24 1.650 -8.500 -7.524 189 2HB GLU 24 2HB GLU 24 1.277 -7.047 -8.470 190 1HG GLU 24 1HG GLU 24 3.747 -6.940 -9.153 191 2HG GLU 24 2HG GLU 24 4.108 -8.329 -8.134 192 HE1 GLU 24 HE2 GLU 24 2.838 -10.627 -10.334 193 H LEU 25 H LEU 25 4.673 -5.724 -5.725 194 HA LEU 25 HA LEU 25 3.989 -3.000 -6.475 195 1HB LEU 25 1HB LEU 25 5.138 -2.556 -4.708 196 2HB LEU 25 2HB LEU 25 5.236 -4.234 -4.363 197 HG LEU 25 HG LEU 25 7.292 -4.141 -5.697 198 1HD1 LEU 25 2HD1 LEU 25 7.266 -1.423 -5.802 199 2HD1 LEU 25 3HD1 LEU 25 7.174 -1.417 -4.050 200 3HD1 LEU 25 1HD1 LEU 25 8.661 -1.931 -4.849 201 1HD2 LEU 25 2HD2 LEU 25 7.083 -3.563 -2.676 202 2HD2 LEU 25 3HD2 LEU 25 7.349 -5.127 -3.493 203 3HD2 LEU 25 1HD2 LEU 25 8.639 -3.915 -3.424 204 H GLU 26 H GLU 26 5.785 -1.769 -7.050 205 HA GLU 26 HA GLU 26 6.683 -2.347 -9.903 206 1HB GLU 26 1HB GLU 26 7.673 -0.107 -9.987 207 2HB GLU 26 2HB GLU 26 5.987 -0.095 -9.523 208 1HG GLU 26 1HG GLU 26 6.703 0.269 -7.068 209 2HG GLU 26 2HG GLU 26 8.377 0.380 -7.611 210 HE1 GLU 26 HE2 GLU 26 5.681 3.280 -8.407 211 H ASN 27 H ASN 27 7.961 -3.157 -6.871 212 HA ASN 27 HA ASN 27 10.790 -3.710 -7.994 213 1HB ASN 27 1HB ASN 27 10.522 -2.894 -5.678 214 2HB ASN 27 2HB ASN 27 9.437 -4.230 -5.415 215 1HD2 ASN 27 1HD2 ASN 27 12.101 -5.400 -3.677 216 2HD2 ASN 27 2HD2 ASN 27 10.310 -5.228 -3.881 217 H GLY 28 H GLY 28 7.641 -5.199 -8.038 218 1HA GLY 28 1HA GLY 28 7.120 -7.230 -9.243 219 2HA GLY 28 2HA GLY 28 8.760 -7.761 -9.073 220 H HIS 29 H HIS 29 8.345 -7.141 -6.089 221 HA HIS 29 HA HIS 29 7.484 -9.929 -5.259 222 1HB HIS 29 1HB HIS 29 8.634 -7.540 -3.653 223 2HB HIS 29 2HB HIS 29 8.107 -9.012 -2.895 224 HD2 HIS 29 HD2 HIS 29 10.820 -7.931 -5.559 225 HE1 HIS 29 HE1 HIS 29 12.136 -11.417 -3.680 226 HE2 HIS 29 HE2 HIS 29 12.875 -9.615 -5.377 227 H VAL 30 H VAL 30 5.721 -10.459 -4.018 228 HA VAL 30 HA VAL 30 3.413 -8.533 -4.023 229 HB VAL 30 HB VAL 30 3.616 -11.543 -3.587 230 1HG1 VAL 30 1HG2 VAL 30 1.059 -9.861 -3.155 231 2HG1 VAL 30 2HG2 VAL 30 1.127 -11.642 -3.284 232 3HG1 VAL 30 3HG2 VAL 30 1.902 -10.831 -1.921 233 1HG2 VAL 30 2HG1 VAL 30 3.491 -10.562 -5.963 234 2HG2 VAL 30 3HG1 VAL 30 2.060 -11.549 -5.572 235 3HG2 VAL 30 1HG1 VAL 30 1.961 -9.769 -5.531 236 H VAL 31 H VAL 31 2.937 -7.373 -2.489 237 HA VAL 31 HA VAL 31 4.002 -7.814 0.368 238 HB VAL 31 HB VAL 31 4.188 -5.372 0.658 239 1HG1 VAL 31 3HG2 VAL 31 6.196 -6.709 -0.047 240 2HG1 VAL 31 1HG2 VAL 31 5.892 -6.266 -1.735 241 3HG1 VAL 31 2HG2 VAL 31 6.283 -5.004 -0.528 242 1HG2 VAL 31 2HG1 VAL 31 2.579 -4.505 -1.072 243 2HG2 VAL 31 3HG1 VAL 31 4.183 -3.746 -1.203 244 3HG2 VAL 31 1HG1 VAL 31 3.694 -5.014 -2.360 245 H THR 32 H THR 32 2.830 -7.128 2.076 246 HA THR 32 HA THR 32 -0.237 -7.104 1.712 247 HB THR 32 HB THR 32 1.479 -7.708 4.185 248 HG1 THR 32 HG1 THR 32 1.019 -9.304 2.542 249 1HG2 THR 32 3HG2 THR 32 -1.595 -7.388 4.036 250 2HG2 THR 32 1HG2 THR 32 -0.713 -8.170 5.381 251 3HG2 THR 32 2HG2 THR 32 -0.484 -6.443 5.044 252 H ALA 33 H ALA 33 -1.036 -4.974 1.474 253 HA ALA 33 HA ALA 33 -0.130 -2.975 3.568 254 1HB ALA 33 2HB ALA 33 0.644 -2.723 1.197 255 2HB ALA 33 3HB ALA 33 -1.037 -2.761 0.588 256 3HB ALA 33 1HB ALA 33 -0.480 -1.410 1.595 257 H HIS 34 H HIS 34 -1.382 -1.206 3.886 258 HA HIS 34 HA HIS 34 -4.404 -1.465 3.754 259 1HB HIS 34 1HB HIS 34 -4.486 0.117 5.877 260 2HB HIS 34 2HB HIS 34 -4.494 -1.581 6.064 261 HD2 HIS 34 HD2 HIS 34 -2.111 1.487 6.442 262 HE1 HIS 34 HE1 HIS 34 -0.498 -1.558 8.804 263 HE2 HIS 34 HE2 HIS 34 -0.168 0.927 8.207 264 H ILE 35 H ILE 35 -5.399 0.681 3.740 265 HA ILE 35 HA ILE 35 -3.616 2.684 2.448 266 HB ILE 35 HB ILE 35 -5.471 3.680 1.870 267 1HG1 ILE 35 1HG1 ILE 35 -7.936 3.014 3.318 268 2HG1 ILE 35 2HG1 ILE 35 -6.723 3.370 4.506 269 1HG2 ILE 35 2HG2 ILE 35 -5.825 1.592 0.763 270 2HG2 ILE 35 3HG2 ILE 35 -7.028 1.130 2.010 271 3HG2 ILE 35 1HG2 ILE 35 -7.329 2.499 0.933 272 1HD1 ILE 35 2HD1 ILE 35 -6.184 5.560 3.123 273 2HD1 ILE 35 3HD1 ILE 35 -7.652 5.197 2.183 274 3HD1 ILE 35 1HD1 ILE 35 -7.745 5.523 3.936 275 H SER 36 H SER 36 -3.575 5.073 3.359 276 HA SER 36 HA SER 36 -2.762 5.099 6.154 277 1HB SER 36 1HB SER 36 -2.129 7.392 5.625 278 2HB SER 36 2HB SER 36 -1.754 6.394 4.256 279 HG SER 36 HG SER 36 -2.823 8.019 3.317 280 H GLY 37 H GLY 37 -5.627 4.689 5.875 281 1HA GLY 37 1HA GLY 37 -7.616 5.114 7.295 282 2HA GLY 37 2HA GLY 37 -6.523 5.896 8.414 283 H LYS 38 H LYS 38 -5.759 8.049 6.974 284 HA LYS 38 HA LYS 38 -7.872 10.015 7.424 285 1HB LYS 38 1HB LYS 38 -5.246 10.340 5.812 286 2HB LYS 38 2HB LYS 38 -6.131 11.587 6.645 287 1HG LYS 38 1HG LYS 38 -5.484 10.485 8.879 288 2HG LYS 38 2HG LYS 38 -4.510 9.314 7.980 289 1HD LYS 38 1HD LYS 38 -4.079 12.370 7.859 290 2HD LYS 38 2HD LYS 38 -3.235 11.317 8.965 291 1HE LYS 38 1HE LYS 38 -3.039 11.109 5.874 292 2HE LYS 38 2HE LYS 38 -1.884 11.934 6.913 293 1HZ LYS 38 1HZ LYS 38 -2.549 9.037 7.058 294 2HZ LYS 38 2HZ LYS 38 -1.545 9.785 8.093 295 H MET 39 H MET 39 -6.457 8.933 4.374 296 HA MET 39 HA MET 39 -8.379 10.507 2.728 297 1HB MET 39 1HB MET 39 -7.466 8.930 0.861 298 2HB MET 39 2HB MET 39 -6.561 10.325 1.387 299 1HG MET 39 1HG MET 39 -4.935 9.104 2.398 300 2HG MET 39 2HG MET 39 -5.889 7.634 2.473 301 1HE MET 39 2HE MET 39 -7.059 6.784 0.138 302 2HE MET 39 1HE MET 39 -5.923 6.318 -1.151 303 3HE MET 39 3HE MET 39 -5.671 5.727 0.522 304 H ARG 40 H ARG 40 -8.719 7.085 3.688 305 HA ARG 40 HA ARG 40 -10.813 6.106 2.410 306 1HB ARG 40 1HB ARG 40 -10.546 6.718 5.414 307 2HB ARG 40 2HB ARG 40 -12.032 6.107 4.880 308 1HG ARG 40 1HG ARG 40 -10.664 4.165 3.635 309 2HG ARG 40 2HG ARG 40 -9.440 4.578 4.824 310 1HD ARG 40 1HD ARG 40 -10.779 2.737 5.728 311 2HD ARG 40 2HD ARG 40 -11.068 4.170 6.693 312 1HH1 ARG 40 2HH2 ARG 40 -11.704 2.152 3.785 313 2HH1 ARG 40 1HH2 ARG 40 -13.308 1.602 3.056 314 1HH2 ARG 40 1HH1 ARG 40 -14.993 3.578 5.213 315 2HH2 ARG 40 2HH1 ARG 40 -15.085 2.370 3.812 316 H LYS 41 H LYS 41 -11.265 9.198 4.082 317 HA LYS 41 HA LYS 41 -14.145 9.451 3.019 318 1HB LYS 41 1HB LYS 41 -12.492 11.058 5.122 319 2HB LYS 41 2HB LYS 41 -14.100 11.453 4.657 320 1HG LYS 41 1HG LYS 41 -13.270 8.846 6.060 321 2HG LYS 41 2HG LYS 41 -13.986 10.223 6.861 322 1HD LYS 41 1HD LYS 41 -16.137 9.913 5.831 323 2HD LYS 41 2HD LYS 41 -15.552 8.849 4.576 324 1HE LYS 41 1HE LYS 41 -15.441 8.058 7.563 325 2HE LYS 41 2HE LYS 41 -16.843 7.759 6.530 326 1HZ LYS 41 1HZ LYS 41 -15.256 6.579 4.972 327 2HZ LYS 41 2HZ LYS 41 -14.105 6.664 6.107 328 H ASN 42 H ASN 42 -11.997 9.567 1.306 329 HA ASN 42 HA ASN 42 -12.803 11.932 -0.421 330 1HB ASN 42 1HB ASN 42 -10.799 12.521 1.134 331 2HB ASN 42 2HB ASN 42 -9.883 11.233 0.383 332 1HD2 ASN 42 1HD2 ASN 42 -8.788 14.299 -1.134 333 2HD2 ASN 42 2HD2 ASN 42 -8.779 13.447 0.484 334 H TYR 43 H TYR 43 -10.461 9.298 -0.243 335 HA TYR 43 HA TYR 43 -11.477 7.885 -2.773 336 1HB TYR 43 1HB TYR 43 -9.147 8.376 -2.889 337 2HB TYR 43 2HB TYR 43 -8.905 7.856 -1.263 338 HD1 TYR 43 HD2 TYR 43 -8.885 5.370 -0.633 339 HD2 TYR 43 HD1 TYR 43 -8.829 6.774 -4.699 340 HE1 TYR 43 HE2 TYR 43 -7.647 3.396 -1.276 341 HE2 TYR 43 HE1 TYR 43 -7.557 4.779 -5.340 342 HH TYR 43 HH TYR 43 -6.421 3.033 -4.652 343 H ILE 44 H ILE 44 -13.444 7.226 -1.311 344 HA ILE 44 HA ILE 44 -13.298 5.706 0.912 345 HB ILE 44 HB ILE 44 -15.419 5.248 -1.106 346 1HG1 ILE 44 1HG1 ILE 44 -15.209 7.561 0.882 347 2HG1 ILE 44 2HG1 ILE 44 -15.139 7.715 -0.848 348 1HG2 ILE 44 2HG2 ILE 44 -15.533 3.712 0.901 349 2HG2 ILE 44 3HG2 ILE 44 -15.517 5.119 1.987 350 3HG2 ILE 44 1HG2 ILE 44 -16.901 4.814 0.909 351 1HD1 ILE 44 3HD1 ILE 44 -17.546 6.911 -1.078 352 2HD1 ILE 44 1HD1 ILE 44 -17.682 6.955 0.701 353 3HD1 ILE 44 2HD1 ILE 44 -17.350 8.446 -0.199 354 H ARG 45 H ARG 45 -14.088 3.772 -1.917 355 HA ARG 45 HA ARG 45 -11.990 1.832 -1.090 356 1HB ARG 45 2HB ARG 45 -14.897 1.048 -1.494 357 2HB ARG 45 1HB ARG 45 -13.668 -0.142 -1.302 358 1HG ARG 45 1HG ARG 45 -13.008 0.600 0.914 359 2HG ARG 45 2HG ARG 45 -14.166 1.897 0.934 360 1HD ARG 45 1HD ARG 45 -15.095 -1.035 0.596 361 2HD ARG 45 2HD ARG 45 -14.746 -0.339 2.185 362 1HH1 ARG 45 2HH2 ARG 45 -16.648 -1.528 2.391 363 2HH1 ARG 45 1HH2 ARG 45 -18.430 -1.280 2.800 364 1HH2 ARG 45 1HH1 ARG 45 -18.390 1.689 1.161 365 2HH2 ARG 45 2HH1 ARG 45 -19.386 0.465 2.127 366 H ILE 46 H ILE 46 -12.284 -0.092 -2.424 367 HA ILE 46 HA ILE 46 -11.907 0.240 -5.371 368 HB ILE 46 HB ILE 46 -9.511 -0.216 -5.423 369 1HG1 ILE 46 1HG1 ILE 46 -9.099 1.353 -2.831 370 2HG1 ILE 46 2HG1 ILE 46 -9.462 -0.351 -2.662 371 1HG2 ILE 46 2HG2 ILE 46 -10.463 1.987 -6.153 372 2HG2 ILE 46 3HG2 ILE 46 -10.226 2.625 -4.506 373 3HG2 ILE 46 1HG2 ILE 46 -8.823 2.148 -5.473 374 1HD1 ILE 46 2HD1 ILE 46 -7.280 0.571 -4.634 375 2HD1 ILE 46 3HD1 ILE 46 -7.007 0.191 -2.903 376 3HD1 ILE 46 1HD1 ILE 46 -7.645 -1.054 -3.998 377 H LEU 47 H LEU 47 -10.615 -1.777 -6.195 378 HA LEU 47 HA LEU 47 -11.711 -4.197 -4.821 379 1HB LEU 47 1HB LEU 47 -13.030 -5.104 -6.494 380 2HB LEU 47 2HB LEU 47 -13.684 -3.556 -6.102 381 HG LEU 47 HG LEU 47 -11.874 -3.791 -8.578 382 1HD1 LEU 47 1HD2 LEU 47 -14.855 -4.616 -8.507 383 2HD1 LEU 47 2HD2 LEU 47 -13.857 -4.425 -9.970 384 3HD1 LEU 47 3HD2 LEU 47 -13.472 -5.698 -8.803 385 1HD2 LEU 47 2HD1 LEU 47 -12.762 -1.499 -7.873 386 2HD2 LEU 47 3HD1 LEU 47 -13.384 -1.993 -9.458 387 3HD2 LEU 47 1HD1 LEU 47 -14.425 -2.102 -8.016 388 H THR 48 H THR 48 -11.206 -6.075 -6.716 389 HA THR 48 HA THR 48 -8.229 -6.284 -6.226 390 HB THR 48 HB THR 48 -10.251 -8.298 -7.069 391 HG1 THR 48 HG1 THR 48 -10.060 -7.331 -4.840 392 1HG2 THR 48 3HG2 THR 48 -7.283 -8.627 -6.422 393 2HG2 THR 48 1HG2 THR 48 -8.426 -9.989 -6.372 394 3HG2 THR 48 2HG2 THR 48 -8.093 -9.150 -7.912 395 H GLY 49 H GLY 49 -7.587 -4.736 -7.526 396 1HA GLY 49 1HA GLY 49 -5.918 -5.003 -9.569 397 2HA GLY 49 2HA GLY 49 -7.344 -5.269 -10.579 398 H ASP 50 H ASP 50 -7.278 -2.982 -8.005 399 HA ASP 50 HA ASP 50 -7.532 -0.620 -9.856 400 1HB ASP 50 1HB ASP 50 -8.140 -1.142 -6.968 401 2HB ASP 50 2HB ASP 50 -8.199 0.458 -7.589 402 HD2 ASP 50 HD2 ASP 50 -11.258 0.179 -8.939 403 H LYS 51 H LYS 51 -6.359 1.332 -9.604 404 HA LYS 51 HA LYS 51 -3.747 1.346 -8.763 405 1HB LYS 51 1HB LYS 51 -5.412 3.847 -9.123 406 2HB LYS 51 2HB LYS 51 -3.666 3.693 -9.186 407 1HG LYS 51 2HG LYS 51 -5.718 2.525 -11.077 408 2HG LYS 51 1HG LYS 51 -4.484 3.737 -11.417 409 1HD LYS 51 1HD LYS 51 -2.924 1.545 -10.761 410 2HD LYS 51 2HD LYS 51 -4.335 0.705 -11.331 411 1HE LYS 51 1HE LYS 51 -4.230 1.985 -13.545 412 2HE LYS 51 2HE LYS 51 -2.753 2.795 -12.987 413 1HZ LYS 51 1HZ LYS 51 -1.767 0.524 -12.679 414 2HZ LYS 51 2HZ LYS 51 -2.142 0.837 -14.245 415 H VAL 52 H VAL 52 -3.107 1.107 -7.072 416 HA VAL 52 HA VAL 52 -3.788 2.642 -4.495 417 HB VAL 52 HB VAL 52 -2.620 0.679 -3.308 418 1HG1 VAL 52 3HG2 VAL 52 -5.094 0.841 -3.539 419 2HG1 VAL 52 1HG2 VAL 52 -5.013 -0.163 -5.014 420 3HG1 VAL 52 2HG2 VAL 52 -4.509 -0.832 -3.436 421 1HG2 VAL 52 2HG1 VAL 52 -1.303 -0.401 -5.117 422 2HG2 VAL 52 3HG1 VAL 52 -2.424 -1.505 -4.276 423 3HG2 VAL 52 1HG1 VAL 52 -2.825 -0.918 -5.905 424 H THR 53 H THR 53 -2.126 3.166 -3.071 425 HA THR 53 HA THR 53 0.612 3.437 -4.179 426 HB THR 53 HB THR 53 -0.444 5.493 -2.202 427 HG1 THR 53 HG1 THR 53 -0.895 5.587 -4.610 428 1HG2 THR 53 3HG2 THR 53 2.391 5.158 -3.477 429 2HG2 THR 53 1HG2 THR 53 1.869 6.592 -2.628 430 3HG2 THR 53 2HG2 THR 53 2.038 5.050 -1.769 431 H VAL 54 H VAL 54 2.266 2.665 -2.773 432 HA VAL 54 HA VAL 54 1.439 1.609 -0.174 433 HB VAL 54 HB VAL 54 3.118 -0.346 -1.813 434 1HG1 VAL 54 3HG2 VAL 54 2.035 -0.909 0.355 435 2HG1 VAL 54 1HG2 VAL 54 0.427 -0.611 -0.349 436 3HG1 VAL 54 2HG2 VAL 54 1.418 -1.990 -0.902 437 1HG2 VAL 54 2HG1 VAL 54 1.347 0.294 -3.709 438 2HG2 VAL 54 3HG1 VAL 54 1.575 -1.395 -3.273 439 3HG2 VAL 54 1HG1 VAL 54 0.158 -0.470 -2.709 440 H GLU 55 H GLU 55 2.648 3.114 0.854 441 HA GLU 55 HA GLU 55 5.500 3.536 0.033 442 1HB GLU 55 1HB GLU 55 4.077 5.309 1.332 443 2HB GLU 55 2HB GLU 55 4.384 4.323 2.757 444 1HG GLU 55 2HG GLU 55 6.833 4.758 2.347 445 2HG GLU 55 1HG GLU 55 6.444 5.784 0.991 446 HE2 GLU 55 HE2 GLU 55 6.229 7.186 4.654 447 H LEU 56 H LEU 56 7.338 2.776 1.219 448 HA LEU 56 HA LEU 56 7.078 0.760 3.412 449 1HB LEU 56 1HB LEU 56 7.611 -1.208 2.348 450 2HB LEU 56 2HB LEU 56 6.313 -0.550 1.402 451 HG LEU 56 HG LEU 56 9.239 -0.205 0.656 452 1HD1 LEU 56 2HD1 LEU 56 8.683 -2.673 0.770 453 2HD1 LEU 56 3HD1 LEU 56 7.255 -2.432 -0.256 454 3HD1 LEU 56 1HD1 LEU 56 8.886 -2.211 -0.934 455 1HD2 LEU 56 1HD2 LEU 56 6.702 0.075 -1.064 456 2HD2 LEU 56 2HD2 LEU 56 7.853 1.350 -0.599 457 3HD2 LEU 56 3HD2 LEU 56 8.372 0.077 -1.700 458 H THR 57 H THR 57 9.625 -0.538 2.869 459 HA THR 57 HA THR 57 11.355 1.671 3.969 460 HB THR 57 HB THR 57 12.706 -0.383 4.856 461 HG1 THR 57 HG1 THR 57 10.104 -1.464 4.881 462 1HG2 THR 57 3HG2 THR 57 10.298 0.621 6.381 463 2HG2 THR 57 1HG2 THR 57 11.649 -0.360 7.053 464 3HG2 THR 57 2HG2 THR 57 11.979 1.250 6.384 465 HA PRO 58 HA PRO 58 14.600 0.591 0.809 466 1HB PRO 58 1HB PRO 58 16.132 0.756 3.333 467 2HB PRO 58 2HB PRO 58 16.664 1.190 1.720 468 1HG PRO 58 1HG PRO 58 15.697 3.184 3.183 469 2HG PRO 58 2HG PRO 58 14.874 3.009 1.639 470 1HD PRO 58 1HD PRO 58 13.887 1.968 4.397 471 2HD PRO 58 2HD PRO 58 12.989 2.797 3.142 472 H TYR 59 H TYR 59 14.763 -0.990 3.907 473 HA TYR 59 HA TYR 59 16.333 -3.393 2.908 474 1HB TYR 59 1HB TYR 59 16.501 -1.882 5.222 475 2HB TYR 59 2HB TYR 59 15.372 -3.006 5.803 476 HD1 TYR 59 HD1 TYR 59 18.828 -2.609 4.514 477 HD2 TYR 59 HD2 TYR 59 16.048 -5.382 6.256 478 HE1 TYR 59 HE1 TYR 59 20.684 -4.154 5.034 479 HE2 TYR 59 HE2 TYR 59 17.904 -6.917 6.761 480 HH TYR 59 HH TYR 59 20.091 -7.269 6.621 481 H ASP 60 H ASP 60 13.188 -2.944 4.384 482 HA ASP 60 HA ASP 60 12.691 -5.991 4.385 483 1HB ASP 60 1HB ASP 60 12.744 -4.629 6.587 484 2HB ASP 60 2HB ASP 60 11.239 -3.876 6.080 485 HD2 ASP 60 HD2 ASP 60 11.288 -7.558 7.509 486 H LEU 61 H LEU 61 12.305 -5.488 2.043 487 HA LEU 61 HA LEU 61 9.750 -4.534 1.203 488 1HB LEU 61 1HB LEU 61 11.399 -6.544 -0.438 489 2HB LEU 61 2HB LEU 61 10.289 -5.345 -1.014 490 HG LEU 61 HG LEU 61 12.276 -4.480 -1.702 491 1HD1 LEU 61 2HD1 LEU 61 11.104 -2.652 -0.458 492 2HD1 LEU 61 3HD1 LEU 61 12.023 -3.047 1.011 493 3HD1 LEU 61 1HD1 LEU 61 12.862 -2.436 -0.421 494 1HD2 LEU 61 3HD2 LEU 61 13.809 -6.078 -0.556 495 2HD2 LEU 61 1HD2 LEU 61 14.427 -4.416 -0.518 496 3HD2 LEU 61 2HD2 LEU 61 13.713 -5.119 0.936 497 H SER 62 H SER 62 9.089 -6.367 3.175 498 HA SER 62 HA SER 62 7.291 -8.391 1.768 499 1HB SER 62 1HB SER 62 8.097 -7.842 4.719 500 2HB SER 62 2HB SER 62 6.956 -9.067 4.225 501 HG SER 62 HG SER 62 9.455 -8.993 2.939 502 H LYS 63 H LYS 63 6.958 -5.259 3.356 503 HA LYS 63 HA LYS 63 3.902 -5.400 3.120 504 1HB LYS 63 1HB LYS 63 5.646 -4.767 5.519 505 2HB LYS 63 2HB LYS 63 4.117 -4.039 5.318 506 1HG LYS 63 2HG LYS 63 3.223 -6.527 4.726 507 2HG LYS 63 1HG LYS 63 4.697 -7.031 5.440 508 1HD LYS 63 2HD LYS 63 2.452 -5.257 6.493 509 2HD LYS 63 1HD LYS 63 2.565 -6.947 6.955 510 1HE LYS 63 1HE LYS 63 4.572 -4.750 7.871 511 2HE LYS 63 2HE LYS 63 3.246 -5.382 8.844 512 1HZ LYS 63 1HZ LYS 63 5.466 -7.036 7.754 513 2HZ LYS 63 2HZ LYS 63 4.242 -7.613 8.654 514 H GLY 64 H GLY 64 3.043 -3.199 3.650 515 1HA GLY 64 2HA GLY 64 4.410 -0.701 3.247 516 2HA GLY 64 1HA GLY 64 3.874 -1.138 1.628 517 H ARG 65 H ARG 65 2.825 1.102 2.177 518 HA ARG 65 HA ARG 65 -0.084 0.511 2.636 519 1HB ARG 65 1HB ARG 65 -0.459 1.622 4.644 520 2HB ARG 65 2HB ARG 65 1.081 0.923 4.913 521 1HG ARG 65 1HG ARG 65 1.520 2.908 5.876 522 2HG ARG 65 2HG ARG 65 2.069 3.352 4.273 523 1HD ARG 65 1HD ARG 65 -0.057 4.527 3.792 524 2HD ARG 65 2HD ARG 65 -0.872 3.837 5.171 525 1HH1 ARG 65 2HH2 ARG 65 -0.639 3.917 7.193 526 2HH1 ARG 65 1HH2 ARG 65 -0.471 5.045 8.646 527 1HH2 ARG 65 1HH1 ARG 65 1.274 7.237 6.737 528 2HH2 ARG 65 2HH1 ARG 65 0.580 6.844 8.405 529 H ILE 66 H ILE 66 -0.640 1.931 0.241 530 HA ILE 66 HA ILE 66 -0.740 3.780 -0.430 531 HB ILE 66 HB ILE 66 -3.574 3.519 0.676 532 1HG1 ILE 66 1HG1 ILE 66 -4.371 2.133 -1.054 533 2HG1 ILE 66 2HG1 ILE 66 -2.893 2.205 -1.943 534 1HG2 ILE 66 3HG2 ILE 66 -2.671 4.751 -1.965 535 2HG2 ILE 66 1HG2 ILE 66 -4.360 4.467 -1.485 536 3HG2 ILE 66 2HG2 ILE 66 -3.349 5.585 -0.569 537 1HD1 ILE 66 3HD1 ILE 66 -3.258 0.638 0.687 538 2HD1 ILE 66 1HD1 ILE 66 -3.233 -0.026 -0.985 539 3HD1 ILE 66 2HD1 ILE 66 -1.784 0.604 -0.287 540 H VAL 67 H VAL 67 0.484 5.169 0.572 541 HA VAL 67 HA VAL 67 -0.329 6.964 2.665 542 HB VAL 67 HB VAL 67 1.507 8.516 1.722 543 1HG1 VAL 67 3HG2 VAL 67 1.696 7.177 3.792 544 2HG1 VAL 67 1HG2 VAL 67 2.194 5.753 2.862 545 3HG1 VAL 67 2HG2 VAL 67 3.233 7.204 2.932 546 1HG2 VAL 67 2HG1 VAL 67 1.935 7.611 -0.548 547 2HG2 VAL 67 3HG1 VAL 67 3.371 7.506 0.482 548 3HG2 VAL 67 1HG1 VAL 67 2.409 6.050 0.164 549 H PHE 68 H PHE 68 -0.173 8.255 -0.719 550 HA PHE 68 HA PHE 68 -2.862 9.548 -0.148 551 1HB PHE 68 1HB PHE 68 -1.062 11.202 0.559 552 2HB PHE 68 2HB PHE 68 -0.550 11.310 -1.109 553 HD1 PHE 68 HD2 PHE 68 -3.517 11.780 1.184 554 HD2 PHE 68 HD1 PHE 68 -1.851 12.720 -2.668 555 HE1 PHE 68 HE2 PHE 68 -5.356 13.368 0.766 556 HE2 PHE 68 HE1 PHE 68 -3.683 14.317 -3.064 557 HZ PHE 68 HZ PHE 68 -5.440 14.638 -1.357 558 H ARG 69 H ARG 69 -3.641 8.009 -1.527 559 HA ARG 69 HA ARG 69 -3.348 8.649 -4.536 560 1HB ARG 69 1HB ARG 69 -2.827 6.259 -3.877 561 2HB ARG 69 2HB ARG 69 -4.430 6.118 -3.165 562 1HG ARG 69 1HG ARG 69 -4.601 5.039 -5.271 563 2HG ARG 69 2HG ARG 69 -5.476 6.533 -5.440 564 1HD ARG 69 1HD ARG 69 -4.273 6.389 -7.462 565 2HD ARG 69 2HD ARG 69 -3.280 7.531 -6.549 566 1HH1 ARG 69 2HH2 ARG 69 -2.212 7.237 -8.470 567 2HH1 ARG 69 1HH2 ARG 69 -0.727 6.457 -9.239 568 1HH2 ARG 69 1HH1 ARG 69 -0.856 3.929 -6.991 569 2HH2 ARG 69 2HH1 ARG 69 0.008 4.686 -8.443 570 H SER 70 H SER 70 -4.637 10.557 -4.185 571 HA SER 70 HA SER 70 -7.623 10.046 -4.282 572 1HB SER 70 1HB SER 70 -6.441 11.771 -2.010 573 2HB SER 70 2HB SER 70 -8.150 11.677 -2.443 574 HG SER 70 HG SER 70 -6.996 9.199 -2.137 575 H ARG 71 H ARG 71 -6.109 13.169 -3.591 576 HA ARG 71 HA ARG 71 -7.276 14.274 -6.138 577 1HB ARG 71 1HB ARG 71 -6.023 15.523 -3.601 578 2HB ARG 71 2HB ARG 71 -6.650 16.445 -4.926 579 1HG ARG 71 1HG ARG 71 -8.961 15.551 -4.590 580 2HG ARG 71 2HG ARG 71 -8.418 14.474 -3.327 581 1HD ARG 71 1HD ARG 71 -8.236 17.559 -3.159 582 2HD ARG 71 2HD ARG 71 -9.549 16.572 -2.491 583 1HH1 ARG 71 2HH2 ARG 71 -9.128 18.234 -1.017 584 2HH1 ARG 71 1HH2 ARG 71 -8.513 18.499 0.701 585 1HH2 ARG 71 1HH1 ARG 71 -6.345 15.917 0.334 586 2HH2 ARG 71 2HH1 ARG 71 -7.000 17.251 1.433 No H/Q in entry = 586 Start of MODEL 14 1 1H ALA 1 1H ALA 1 8.013 8.122 5.997 2 2H ALA 1 2H ALA 1 6.606 8.665 5.384 3 HA ALA 1 HA ALA 1 5.997 9.598 7.576 4 1HB ALA 1 1HB ALA 1 6.368 6.557 7.206 5 2HB ALA 1 2HB ALA 1 5.275 7.323 8.382 6 3HB ALA 1 3HB ALA 1 5.004 7.564 6.647 7 H LYS 2 H LYS 2 7.177 10.594 9.031 8 HA LYS 2 HA LYS 2 8.490 11.032 10.922 9 1HB LYS 2 1HB LYS 2 8.533 8.010 11.389 10 2HB LYS 2 2HB LYS 2 9.145 9.210 12.508 11 1HG LYS 2 1HG LYS 2 6.824 10.254 12.689 12 2HG LYS 2 2HG LYS 2 6.220 9.057 11.553 13 1HD LYS 2 1HD LYS 2 5.597 8.236 13.688 14 2HD LYS 2 2HD LYS 2 6.909 7.193 13.164 15 1HE LYS 2 1HE LYS 2 8.532 8.499 14.641 16 2HE LYS 2 2HE LYS 2 7.215 9.574 15.140 17 1HZ LYS 2 1HZ LYS 2 6.039 7.595 16.020 18 2HZ LYS 2 2HZ LYS 2 7.501 7.769 16.737 19 H GLU 3 H GLU 3 10.319 8.172 9.830 20 HA GLU 3 HA GLU 3 12.801 9.937 9.477 21 1HB GLU 3 1HB GLU 3 12.415 8.133 11.505 22 2HB GLU 3 2HB GLU 3 12.943 7.003 10.287 23 1HG GLU 3 1HG GLU 3 14.392 9.536 11.296 24 2HG GLU 3 2HG GLU 3 14.727 7.886 11.800 25 HE1 GLU 3 HE2 GLU 3 16.303 9.352 8.454 26 H ASP 4 H ASP 4 13.490 7.169 8.505 27 HA ASP 4 HA ASP 4 13.315 7.774 5.605 28 1HB ASP 4 1HB ASP 4 15.012 6.221 5.344 29 2HB ASP 4 2HB ASP 4 15.419 7.162 6.753 30 HD1 ASP 4 HD2 ASP 4 15.029 4.375 8.904 31 H ASN 5 H ASN 5 11.730 7.210 4.376 32 HA ASN 5 HA ASN 5 10.830 4.359 4.061 33 1HB ASN 5 1HB ASN 5 8.859 6.556 5.074 34 2HB ASN 5 2HB ASN 5 8.289 5.181 4.172 35 1HD2 ASN 5 1HD2 ASN 5 8.848 4.453 8.003 36 2HD2 ASN 5 2HD2 ASN 5 9.064 6.151 7.327 37 H ILE 6 H ILE 6 10.264 3.957 1.863 38 HA ILE 6 HA ILE 6 10.023 6.293 -0.013 39 HB ILE 6 HB ILE 6 10.191 3.409 -0.976 40 1HG1 ILE 6 2HG1 ILE 6 12.599 4.708 0.283 41 2HG1 ILE 6 1HG1 ILE 6 11.721 3.277 0.682 42 1HG2 ILE 6 2HG2 ILE 6 10.004 5.380 -2.629 43 2HG2 ILE 6 3HG2 ILE 6 11.556 6.010 -2.017 44 3HG2 ILE 6 1HG2 ILE 6 11.477 4.452 -2.870 45 1HD1 ILE 6 2HD1 ILE 6 12.359 2.099 -1.455 46 2HD1 ILE 6 3HD1 ILE 6 13.366 3.492 -1.918 47 3HD1 ILE 6 1HD1 ILE 6 13.779 2.531 -0.480 48 H GLU 7 H GLU 7 8.421 6.317 -1.470 49 HA GLU 7 HA GLU 7 6.041 4.506 -1.145 50 1HB GLU 7 1HB GLU 7 4.318 5.973 -1.920 51 2HB GLU 7 2HB GLU 7 5.042 6.358 -0.385 52 1HG GLU 7 2HG GLU 7 6.343 8.075 -1.468 53 2HG GLU 7 1HG GLU 7 5.800 7.604 -3.066 54 HE2 GLU 7 HE2 GLU 7 3.605 10.100 -0.885 55 H MET 8 H MET 8 5.389 3.406 -2.494 56 HA MET 8 HA MET 8 6.773 3.124 -5.193 57 1HB MET 8 1HB MET 8 8.711 3.350 -3.655 58 2HB MET 8 2HB MET 8 8.058 2.216 -2.488 59 1HG MET 8 1HG MET 8 8.520 0.344 -3.893 60 2HG MET 8 2HG MET 8 8.729 1.437 -5.272 61 1HE MET 8 3HE MET 8 10.714 -0.955 -4.267 62 2HE MET 8 2HE MET 8 10.997 -0.010 -5.759 63 3HE MET 8 1HE MET 8 12.310 -0.200 -4.560 64 H GLN 9 H GLN 9 4.323 2.404 -5.075 65 HA GLN 9 HA GLN 9 4.528 -0.494 -5.398 66 1HB GLN 9 1HB GLN 9 3.414 0.415 -3.151 67 2HB GLN 9 2HB GLN 9 2.038 -0.085 -4.089 68 1HG GLN 9 1HG GLN 9 2.312 -2.063 -3.151 69 2HG GLN 9 2HG GLN 9 3.705 -2.385 -4.127 70 1HE2 GLN 9 2HE2 GLN 9 5.684 -1.731 -1.007 71 2HE2 GLN 9 1HE2 GLN 9 5.743 -1.095 -2.720 72 H GLY 10 H GLY 10 1.774 -1.079 -5.752 73 1HA GLY 10 2HA GLY 10 2.021 -0.902 -8.842 74 2HA GLY 10 1HA GLY 10 2.030 -2.402 -7.926 75 H THR 11 H THR 11 0.237 -3.566 -7.938 76 HA THR 11 HA THR 11 -2.466 -2.194 -8.565 77 HB THR 11 HB THR 11 -1.338 -4.756 -9.878 78 HG1 THR 11 HG1 THR 11 -0.655 -2.587 -10.580 79 1HG2 THR 11 3HG2 THR 11 -4.046 -3.314 -10.368 80 2HG2 THR 11 1HG2 THR 11 -3.391 -4.655 -11.335 81 3HG2 THR 11 2HG2 THR 11 -3.851 -4.934 -9.644 82 H VAL 12 H VAL 12 -4.139 -2.943 -7.434 83 HA VAL 12 HA VAL 12 -3.584 -4.255 -4.895 84 HB VAL 12 HB VAL 12 -6.363 -4.040 -6.258 85 1HG1 VAL 12 1HG2 VAL 12 -5.531 -4.805 -3.407 86 2HG1 VAL 12 2HG2 VAL 12 -7.171 -4.251 -3.797 87 3HG1 VAL 12 3HG2 VAL 12 -6.547 -5.727 -4.526 88 1HG2 VAL 12 1HG1 VAL 12 -5.288 -2.124 -4.148 89 2HG2 VAL 12 2HG1 VAL 12 -5.685 -1.738 -5.844 90 3HG2 VAL 12 3HG1 VAL 12 -6.952 -2.265 -4.763 91 H LEU 13 H LEU 13 -2.743 -6.733 -6.102 92 HA LEU 13 HA LEU 13 -4.586 -8.365 -7.354 93 1HB LEU 13 1HB LEU 13 -2.098 -9.026 -5.676 94 2HB LEU 13 2HB LEU 13 -3.146 -10.307 -6.222 95 HG LEU 13 HG LEU 13 -3.060 -9.427 -8.511 96 1HD1 LEU 13 3HD1 LEU 13 -0.981 -7.454 -7.486 97 2HD1 LEU 13 1HD1 LEU 13 -1.055 -7.940 -9.206 98 3HD1 LEU 13 2HD1 LEU 13 -2.429 -7.132 -8.448 99 1HD2 LEU 13 3HD2 LEU 13 -1.595 -11.346 -7.810 100 2HD2 LEU 13 1HD2 LEU 13 -0.721 -10.366 -9.001 101 3HD2 LEU 13 2HD2 LEU 13 -0.327 -10.222 -7.271 102 H GLU 14 H GLU 14 -4.277 -8.427 -3.850 103 HA GLU 14 HA GLU 14 -7.285 -9.253 -3.833 104 1HB GLU 14 1HB GLU 14 -5.933 -11.036 -2.944 105 2HB GLU 14 2HB GLU 14 -5.100 -9.942 -1.847 106 1HG GLU 14 1HG GLU 14 -6.471 -11.065 -0.430 107 2HG GLU 14 2HG GLU 14 -7.328 -9.603 -0.586 108 HE1 GLU 14 HE2 GLU 14 -10.013 -10.944 -2.327 109 H THR 15 H THR 15 -8.357 -8.506 -2.094 110 HA THR 15 HA THR 15 -7.745 -5.695 -0.951 111 HB THR 15 HB THR 15 -10.191 -5.198 -0.596 112 HG1 THR 15 HG1 THR 15 -10.985 -7.186 -1.427 113 1HG2 THR 15 2HG2 THR 15 -8.626 -3.938 -2.105 114 2HG2 THR 15 3HG2 THR 15 -9.170 -4.944 -3.462 115 3HG2 THR 15 1HG2 THR 15 -10.320 -3.862 -2.614 116 H LEU 16 H LEU 16 -7.080 -6.598 0.812 117 HA LEU 16 HA LEU 16 -8.010 -9.257 1.779 118 1HB LEU 16 1HB LEU 16 -5.777 -7.188 2.275 119 2HB LEU 16 2HB LEU 16 -6.131 -8.230 3.596 120 HG LEU 16 HG LEU 16 -5.429 -9.266 0.839 121 1HD1 LEU 16 2HD1 LEU 16 -3.581 -8.062 1.851 122 2HD1 LEU 16 3HD1 LEU 16 -3.711 -9.019 3.357 123 3HD1 LEU 16 1HD1 LEU 16 -3.220 -9.801 1.825 124 1HD2 LEU 16 1HD2 LEU 16 -6.723 -11.045 2.050 125 2HD2 LEU 16 2HD2 LEU 16 -5.035 -11.481 1.780 126 3HD2 LEU 16 3HD2 LEU 16 -5.548 -10.964 3.403 127 HA PRO 17 HA PRO 17 -11.154 -9.593 4.735 128 1HB PRO 17 1HB PRO 17 -9.675 -8.777 7.086 129 2HB PRO 17 2HB PRO 17 -10.331 -10.373 6.627 130 1HG PRO 17 2HG PRO 17 -7.643 -9.146 6.339 131 2HG PRO 17 1HG PRO 17 -8.098 -10.867 6.560 132 1HD PRO 17 2HD PRO 17 -7.433 -9.998 4.318 133 2HD PRO 17 1HD PRO 17 -8.885 -11.038 4.301 134 H ASN 18 H ASN 18 -9.896 -6.546 6.182 135 HA ASN 18 HA ASN 18 -12.705 -5.360 6.088 136 1HB ASN 18 1HB ASN 18 -10.148 -4.592 7.420 137 2HB ASN 18 2HB ASN 18 -11.505 -3.518 7.321 138 1HD2 ASN 18 1HD2 ASN 18 -11.821 -5.001 10.539 139 2HD2 ASN 18 2HD2 ASN 18 -10.574 -3.981 9.664 140 H THR 19 H THR 19 -9.733 -3.735 5.404 141 HA THR 19 HA THR 19 -10.376 -3.328 2.473 142 HB THR 19 HB THR 19 -10.526 -1.181 4.505 143 HG1 THR 19 HG1 THR 19 -12.236 -1.503 2.323 144 1HG2 THR 19 2HG2 THR 19 -9.131 -0.233 2.524 145 2HG2 THR 19 3HG2 THR 19 -10.380 -0.781 1.395 146 3HG2 THR 19 1HG2 THR 19 -10.721 0.524 2.557 147 H MET 20 H MET 20 -8.316 -4.862 3.261 148 HA MET 20 HA MET 20 -5.925 -3.141 2.871 149 1HB MET 20 1HB MET 20 -6.407 -5.982 3.983 150 2HB MET 20 2HB MET 20 -4.786 -5.315 3.752 151 1HG MET 20 1HG MET 20 -5.604 -3.296 5.157 152 2HG MET 20 2HG MET 20 -7.034 -4.155 5.464 153 1HE MET 20 3HE MET 20 -6.593 -3.963 8.082 154 2HE MET 20 2HE MET 20 -5.086 -4.488 8.894 155 3HE MET 20 1HE MET 20 -5.052 -3.101 7.769 156 H PHE 21 H PHE 21 -4.026 -4.515 1.724 157 HA PHE 21 HA PHE 21 -5.033 -4.851 -1.262 158 1HB PHE 21 1HB PHE 21 -2.797 -3.045 -0.470 159 2HB PHE 21 2HB PHE 21 -3.610 -3.442 -2.002 160 HD1 PHE 21 HD2 PHE 21 -5.911 -2.975 -2.279 161 HD2 PHE 21 HD1 PHE 21 -4.040 -1.839 1.112 162 HE1 PHE 21 HE2 PHE 21 -8.082 -1.901 -1.537 163 HE2 PHE 21 HE1 PHE 21 -6.466 -1.495 1.788 164 HZ PHE 21 HZ PHE 21 -8.051 -0.351 0.139 165 H ARG 22 H ARG 22 -4.179 -6.975 -1.586 166 HA ARG 22 HA ARG 22 -1.387 -7.777 -0.524 167 1HB ARG 22 2HB ARG 22 -3.384 -9.543 -0.583 168 2HB ARG 22 1HB ARG 22 -2.852 -9.678 -2.239 169 1HG ARG 22 1HG ARG 22 -0.407 -9.982 -1.350 170 2HG ARG 22 2HG ARG 22 -1.095 -10.103 0.265 171 1HD ARG 22 1HD ARG 22 -2.483 -12.094 -0.486 172 2HD ARG 22 2HD ARG 22 -1.784 -11.931 -2.124 173 1HH1 ARG 22 2HH2 ARG 22 -1.814 -14.137 -1.771 174 2HH1 ARG 22 1HH2 ARG 22 -0.660 -15.562 -1.573 175 1HH2 ARG 22 1HH1 ARG 22 1.528 -13.571 0.078 176 2HH2 ARG 22 2HH1 ARG 22 1.159 -15.261 -0.575 177 H VAL 23 H VAL 23 -0.101 -6.552 -1.697 178 HA VAL 23 HA VAL 23 -0.976 -5.774 -4.521 179 HB VAL 23 HB VAL 23 1.173 -4.226 -3.056 180 1HG1 VAL 23 3HG2 VAL 23 0.543 -3.525 -5.429 181 2HG1 VAL 23 1HG2 VAL 23 -1.130 -3.298 -4.865 182 3HG1 VAL 23 2HG2 VAL 23 0.177 -2.284 -4.205 183 1HG2 VAL 23 1HG1 VAL 23 -1.844 -4.034 -2.673 184 2HG2 VAL 23 2HG1 VAL 23 -0.655 -4.210 -1.368 185 3HG2 VAL 23 3HG1 VAL 23 -0.822 -2.653 -2.204 186 H GLU 24 H GLU 24 0.197 -5.874 -6.154 187 HA GLU 24 HA GLU 24 2.902 -7.392 -6.120 188 1HB GLU 24 1HB GLU 24 1.108 -8.417 -7.582 189 2HB GLU 24 2HB GLU 24 1.093 -6.942 -8.570 190 1HG GLU 24 1HG GLU 24 3.516 -7.348 -9.191 191 2HG GLU 24 2HG GLU 24 3.605 -8.735 -8.110 192 HE1 GLU 24 HE2 GLU 24 1.947 -10.855 -10.239 193 H LEU 25 H LEU 25 4.376 -5.720 -5.736 194 HA LEU 25 HA LEU 25 4.247 -3.115 -6.251 195 1HB LEU 25 1HB LEU 25 6.262 -5.394 -5.741 196 2HB LEU 25 2HB LEU 25 7.050 -4.298 -6.711 197 HG LEU 25 HG LEU 25 5.643 -3.477 -4.208 198 1HD1 LEU 25 2HD2 LEU 25 7.286 -5.201 -3.573 199 2HD1 LEU 25 3HD2 LEU 25 8.595 -4.367 -4.461 200 3HD1 LEU 25 1HD2 LEU 25 7.871 -3.630 -3.012 201 1HD2 LEU 25 2HD1 LEU 25 8.042 -2.193 -5.805 202 2HD2 LEU 25 3HD1 LEU 25 6.417 -1.481 -5.652 203 3HD2 LEU 25 1HD1 LEU 25 7.477 -1.590 -4.245 204 H GLU 26 H GLU 26 6.233 -2.127 -7.326 205 HA GLU 26 HA GLU 26 5.839 -2.037 -10.353 206 1HB GLU 26 1HB GLU 26 7.240 -0.055 -10.419 207 2HB GLU 26 2HB GLU 26 5.953 0.171 -9.255 208 1HG GLU 26 1HG GLU 26 7.615 -0.238 -7.342 209 2HG GLU 26 2HG GLU 26 8.900 -0.491 -8.516 210 HE1 GLU 26 HE2 GLU 26 7.560 3.175 -7.724 211 H ASN 27 H ASN 27 7.998 -3.409 -8.049 212 HA ASN 27 HA ASN 27 10.139 -4.273 -9.979 213 1HB ASN 27 1HB ASN 27 9.352 -5.377 -7.187 214 2HB ASN 27 2HB ASN 27 10.883 -5.548 -8.017 215 1HD2 ASN 27 1HD2 ASN 27 11.311 -3.487 -5.168 216 2HD2 ASN 27 2HD2 ASN 27 11.355 -5.197 -5.795 217 H GLY 28 H GLY 28 6.895 -5.350 -9.521 218 1HA GLY 28 1HA GLY 28 5.784 -7.403 -9.988 219 2HA GLY 28 2HA GLY 28 7.316 -8.102 -10.408 220 H HIS 29 H HIS 29 7.464 -6.942 -7.233 221 HA HIS 29 HA HIS 29 7.234 -9.739 -6.050 222 1HB HIS 29 1HB HIS 29 8.270 -7.054 -4.917 223 2HB HIS 29 2HB HIS 29 8.091 -8.470 -3.927 224 HD2 HIS 29 HD2 HIS 29 10.032 -7.637 -7.287 225 HE1 HIS 29 HE1 HIS 29 12.316 -10.305 -5.039 226 HE2 HIS 29 HE2 HIS 29 12.339 -8.973 -7.244 227 H VAL 30 H VAL 30 5.577 -10.489 -4.788 228 HA VAL 30 HA VAL 30 3.239 -8.699 -4.246 229 HB VAL 30 HB VAL 30 3.628 -11.715 -4.095 230 1HG1 VAL 30 1HG2 VAL 30 1.073 -10.197 -3.243 231 2HG1 VAL 30 2HG2 VAL 30 1.190 -11.956 -3.527 232 3HG1 VAL 30 3HG2 VAL 30 2.086 -11.219 -2.197 233 1HG2 VAL 30 2HG1 VAL 30 3.187 -10.607 -6.362 234 2HG2 VAL 30 3HG1 VAL 30 1.827 -11.645 -5.874 235 3HG2 VAL 30 1HG1 VAL 30 1.708 -9.875 -5.706 236 H VAL 31 H VAL 31 2.883 -7.707 -2.580 237 HA VAL 31 HA VAL 31 3.942 -8.532 0.209 238 HB VAL 31 HB VAL 31 4.247 -6.078 0.788 239 1HG1 VAL 31 1HG2 VAL 31 6.201 -7.524 0.327 240 2HG1 VAL 31 2HG2 VAL 31 6.175 -7.023 -1.384 241 3HG1 VAL 31 3HG2 VAL 31 6.463 -5.823 -0.092 242 1HG2 VAL 31 2HG1 VAL 31 2.975 -4.945 -1.051 243 2HG2 VAL 31 3HG1 VAL 31 4.659 -4.391 -0.942 244 3HG2 VAL 31 1HG1 VAL 31 4.176 -5.509 -2.241 245 H THR 32 H THR 32 2.891 -7.641 2.048 246 HA THR 32 HA THR 32 -0.161 -7.457 1.711 247 HB THR 32 HB THR 32 1.633 -7.994 4.159 248 HG1 THR 32 HG1 THR 32 1.027 -9.629 2.499 249 1HG2 THR 32 3HG2 THR 32 -1.451 -7.725 4.106 250 2HG2 THR 32 1HG2 THR 32 -0.508 -8.437 5.449 251 3HG2 THR 32 2HG2 THR 32 -0.317 -6.724 5.035 252 H ALA 33 H ALA 33 -0.914 -5.318 1.516 253 HA ALA 33 HA ALA 33 0.091 -3.304 3.582 254 1HB ALA 33 2HB ALA 33 1.011 -3.078 1.227 255 2HB ALA 33 3HB ALA 33 -0.658 -3.006 0.579 256 3HB ALA 33 1HB ALA 33 -0.062 -1.736 1.668 257 H HIS 34 H HIS 34 -1.138 -1.508 4.001 258 HA HIS 34 HA HIS 34 -4.158 -1.683 3.514 259 1HB HIS 34 1HB HIS 34 -4.595 -0.928 5.759 260 2HB HIS 34 2HB HIS 34 -3.717 -2.446 5.752 261 HD2 HIS 34 HD2 HIS 34 -3.194 1.313 6.691 262 HE1 HIS 34 HE1 HIS 34 -0.040 -0.822 8.408 263 HE2 HIS 34 HE2 HIS 34 -1.090 1.533 8.337 264 H ILE 35 H ILE 35 -5.087 0.276 2.619 265 HA ILE 35 HA ILE 35 -3.731 2.567 2.409 266 HB ILE 35 HB ILE 35 -5.407 1.718 1.083 267 1HG1 ILE 35 1HG1 ILE 35 -4.970 4.204 1.303 268 2HG1 ILE 35 2HG1 ILE 35 -6.257 3.560 0.279 269 1HG2 ILE 35 2HG2 ILE 35 -6.979 0.633 2.572 270 2HG2 ILE 35 3HG2 ILE 35 -7.729 2.197 2.915 271 3HG2 ILE 35 1HG2 ILE 35 -7.665 1.557 1.225 272 1HD1 ILE 35 1HD1 ILE 35 -6.701 4.787 3.095 273 2HD1 ILE 35 2HD1 ILE 35 -6.972 5.673 1.579 274 3HD1 ILE 35 3HD1 ILE 35 -7.982 4.279 1.953 275 H SER 36 H SER 36 -3.656 4.549 3.571 276 HA SER 36 HA SER 36 -3.746 4.208 6.519 277 1HB SER 36 1HB SER 36 -2.149 5.736 6.554 278 2HB SER 36 2HB SER 36 -2.044 5.556 4.839 279 HG SER 36 HG SER 36 -2.431 7.642 4.866 280 H GLY 37 H GLY 37 -5.306 4.631 7.871 281 1HA GLY 37 1HA GLY 37 -7.952 5.512 7.463 282 2HA GLY 37 2HA GLY 37 -7.158 5.777 8.997 283 H LYS 38 H LYS 38 -5.307 7.699 7.653 284 HA LYS 38 HA LYS 38 -6.680 10.263 8.085 285 1HB LYS 38 1HB LYS 38 -4.060 9.614 6.530 286 2HB LYS 38 2HB LYS 38 -4.465 11.134 7.262 287 1HG LYS 38 1HG LYS 38 -4.113 10.076 9.578 288 2HG LYS 38 2HG LYS 38 -3.789 8.528 8.780 289 1HD LYS 38 1HD LYS 38 -1.673 9.412 9.355 290 2HD LYS 38 2HD LYS 38 -1.798 9.461 7.605 291 1HE LYS 38 1HE LYS 38 -2.283 11.967 7.708 292 2HE LYS 38 2HE LYS 38 -2.234 11.907 9.475 293 1HZ LYS 38 1HZ LYS 38 0.041 11.111 7.704 294 2HZ LYS 38 2HZ LYS 38 0.080 11.108 9.326 295 H MET 39 H MET 39 -5.681 8.560 5.167 296 HA MET 39 HA MET 39 -7.074 10.554 3.371 297 1HB MET 39 1HB MET 39 -6.430 8.869 1.581 298 2HB MET 39 2HB MET 39 -5.137 9.865 2.232 299 1HG MET 39 1HG MET 39 -4.410 7.961 3.564 300 2HG MET 39 2HG MET 39 -5.613 6.974 2.806 301 1HE MET 39 2HE MET 39 -5.531 6.347 0.163 302 2HE MET 39 1HE MET 39 -5.362 8.004 -0.473 303 3HE MET 39 3HE MET 39 -4.177 6.727 -0.904 304 H ARG 40 H ARG 40 -7.765 7.212 4.450 305 HA ARG 40 HA ARG 40 -9.875 6.398 2.804 306 1HB ARG 40 1HB ARG 40 -9.718 6.498 5.894 307 2HB ARG 40 2HB ARG 40 -10.999 5.698 5.056 308 1HG ARG 40 1HG ARG 40 -9.208 4.278 3.775 309 2HG ARG 40 2HG ARG 40 -8.062 4.872 4.961 310 1HD ARG 40 1HD ARG 40 -8.751 2.759 5.775 311 2HD ARG 40 2HD ARG 40 -9.668 3.885 6.798 312 1HH1 ARG 40 2HH2 ARG 40 -9.842 1.258 6.784 313 2HH1 ARG 40 1HH2 ARG 40 -11.197 0.017 6.574 314 1HH2 ARG 40 1HH1 ARG 40 -12.779 2.088 4.430 315 2HH2 ARG 40 2HH1 ARG 40 -12.754 0.427 5.242 316 H LYS 41 H LYS 41 -10.173 9.130 4.909 317 HA LYS 41 HA LYS 41 -13.122 9.589 4.112 318 1HB LYS 41 1HB LYS 41 -11.362 10.503 6.532 319 2HB LYS 41 2HB LYS 41 -12.837 11.297 6.149 320 1HG LYS 41 1HG LYS 41 -14.169 9.172 6.456 321 2HG LYS 41 2HG LYS 41 -12.678 8.283 6.766 322 1HD LYS 41 1HD LYS 41 -12.205 9.788 8.768 323 2HD LYS 41 2HD LYS 41 -13.740 10.622 8.485 324 1HE LYS 41 1HE LYS 41 -14.986 8.408 8.790 325 2HE LYS 41 2HE LYS 41 -13.445 7.584 9.069 326 1HZ LYS 41 1HZ LYS 41 -14.478 9.855 10.709 327 2HZ LYS 41 2HZ LYS 41 -13.056 9.099 10.961 328 H ASN 42 H ASN 42 -10.838 10.124 2.551 329 HA ASN 42 HA ASN 42 -11.652 12.839 1.408 330 1HB ASN 42 1HB ASN 42 -9.549 13.059 2.930 331 2HB ASN 42 2HB ASN 42 -8.728 11.896 1.921 332 1HD2 ASN 42 1HD2 ASN 42 -7.563 15.082 0.793 333 2HD2 ASN 42 2HD2 ASN 42 -7.553 14.123 2.364 334 H TYR 43 H TYR 43 -9.461 10.123 0.951 335 HA TYR 43 HA TYR 43 -10.141 9.540 -1.936 336 1HB TYR 43 2HB TYR 43 -7.832 9.514 -1.252 337 2HB TYR 43 1HB TYR 43 -8.214 8.482 0.084 338 HD1 TYR 43 HD1 TYR 43 -8.625 6.035 -0.198 339 HD2 TYR 43 HD2 TYR 43 -7.458 8.534 -3.498 340 HE1 TYR 43 HE1 TYR 43 -7.732 4.079 -1.348 341 HE2 TYR 43 HE2 TYR 43 -6.531 6.553 -4.637 342 HH TYR 43 HH TYR 43 -6.123 4.391 -4.515 343 H ILE 44 H ILE 44 -12.575 9.007 -0.745 344 HA ILE 44 HA ILE 44 -13.429 6.918 0.073 345 HB ILE 44 HB ILE 44 -14.495 7.914 -2.505 346 1HG1 ILE 44 1HG1 ILE 44 -15.173 8.788 0.372 347 2HG1 ILE 44 2HG1 ILE 44 -14.266 9.730 -0.779 348 1HG2 ILE 44 2HG2 ILE 44 -15.514 5.674 -1.886 349 2HG2 ILE 44 3HG2 ILE 44 -15.976 6.320 -0.293 350 3HG2 ILE 44 1HG2 ILE 44 -16.721 6.951 -1.781 351 1HD1 ILE 44 2HD1 ILE 44 -16.272 9.888 -2.330 352 2HD1 ILE 44 3HD1 ILE 44 -17.257 9.080 -1.083 353 3HD1 ILE 44 1HD1 ILE 44 -16.509 10.652 -0.742 354 H ARG 45 H ARG 45 -12.343 5.391 -0.023 355 HA ARG 45 HA ARG 45 -10.671 3.969 -1.226 356 1HB ARG 45 1HB ARG 45 -11.257 1.752 -0.136 357 2HB ARG 45 2HB ARG 45 -11.371 3.086 0.874 358 1HG ARG 45 1HG ARG 45 -13.854 3.003 0.811 359 2HG ARG 45 2HG ARG 45 -13.851 2.064 -0.668 360 1HD ARG 45 1HD ARG 45 -12.937 0.919 2.057 361 2HD ARG 45 2HD ARG 45 -14.547 0.730 1.348 362 1HH1 ARG 45 2HH2 ARG 45 -14.630 -1.281 1.795 363 2HH1 ARG 45 1HH2 ARG 45 -14.429 -2.995 1.149 364 1HH2 ARG 45 1HH1 ARG 45 -12.199 -1.887 -1.151 365 2HH2 ARG 45 2HH1 ARG 45 -13.144 -3.329 -0.470 366 H ILE 46 H ILE 46 -10.535 1.769 -1.696 367 HA ILE 46 HA ILE 46 -11.118 1.433 -4.722 368 HB ILE 46 HB ILE 46 -8.816 0.601 -4.979 369 1HG1 ILE 46 1HG1 ILE 46 -7.699 2.148 -2.630 370 2HG1 ILE 46 2HG1 ILE 46 -8.555 0.711 -2.124 371 1HG2 ILE 46 2HG2 ILE 46 -9.481 2.850 -5.713 372 2HG2 ILE 46 3HG2 ILE 46 -9.042 3.511 -4.115 373 3HG2 ILE 46 1HG2 ILE 46 -7.781 2.796 -5.161 374 1HD1 ILE 46 2HD1 ILE 46 -6.516 0.566 -4.408 375 2HD1 ILE 46 3HD1 ILE 46 -6.112 0.295 -2.667 376 3HD1 ILE 46 1HD1 ILE 46 -7.312 -0.725 -3.497 377 H LEU 47 H LEU 47 -10.281 -0.682 -5.632 378 HA LEU 47 HA LEU 47 -11.687 -2.925 -4.132 379 1HB LEU 47 1HB LEU 47 -13.335 -1.572 -5.545 380 2HB LEU 47 2HB LEU 47 -12.431 -2.016 -6.977 381 HG LEU 47 HG LEU 47 -13.086 -4.419 -6.675 382 1HD1 LEU 47 1HD1 LEU 47 -14.649 -3.418 -4.183 383 2HD1 LEU 47 2HD1 LEU 47 -14.828 -5.026 -4.925 384 3HD1 LEU 47 3HD1 LEU 47 -13.297 -4.575 -4.165 385 1HD2 LEU 47 3HD2 LEU 47 -14.547 -2.879 -7.988 386 2HD2 LEU 47 1HD2 LEU 47 -15.504 -4.127 -7.170 387 3HD2 LEU 47 2HD2 LEU 47 -15.472 -2.468 -6.523 388 H THR 48 H THR 48 -11.561 -4.968 -5.637 389 HA THR 48 HA THR 48 -8.706 -5.694 -5.712 390 HB THR 48 HB THR 48 -10.946 -7.368 -6.750 391 HG1 THR 48 HG1 THR 48 -10.178 -6.877 -4.069 392 1HG2 THR 48 3HG2 THR 48 -8.270 -8.104 -5.428 393 2HG2 THR 48 1HG2 THR 48 -9.545 -9.285 -5.824 394 3HG2 THR 48 2HG2 THR 48 -8.712 -8.401 -7.120 395 H GLY 49 H GLY 49 -7.709 -4.539 -7.094 396 1HA GLY 49 1HA GLY 49 -6.398 -4.952 -9.243 397 2HA GLY 49 2HA GLY 49 -7.910 -5.142 -10.140 398 H ASP 50 H ASP 50 -7.453 -2.708 -7.733 399 HA ASP 50 HA ASP 50 -7.448 -0.468 -9.756 400 1HB ASP 50 1HB ASP 50 -8.025 -0.663 -6.830 401 2HB ASP 50 2HB ASP 50 -7.635 0.874 -7.520 402 HD1 ASP 50 HD2 ASP 50 -10.531 1.227 -9.313 403 H LYS 51 H LYS 51 -5.890 1.087 -9.868 404 HA LYS 51 HA LYS 51 -3.215 0.428 -9.246 405 1HB LYS 51 1HB LYS 51 -4.117 3.101 -10.321 406 2HB LYS 51 2HB LYS 51 -2.532 2.351 -10.426 407 1HG LYS 51 2HG LYS 51 -5.114 1.476 -11.718 408 2HG LYS 51 1HG LYS 51 -3.639 2.009 -12.501 409 1HD LYS 51 1HD LYS 51 -2.821 -0.331 -11.200 410 2HD LYS 51 2HD LYS 51 -4.494 -0.705 -11.471 411 1HE LYS 51 1HE LYS 51 -4.185 -0.202 -13.988 412 2HE LYS 51 2HE LYS 51 -2.460 0.060 -13.683 413 1HZ LYS 51 1HZ LYS 51 -3.971 -2.452 -13.123 414 2HZ LYS 51 2HZ LYS 51 -2.428 -2.232 -12.674 415 H VAL 52 H VAL 52 -2.333 0.534 -7.677 416 HA VAL 52 HA VAL 52 -2.510 2.695 -5.502 417 HB VAL 52 HB VAL 52 -1.977 0.986 -3.858 418 1HG1 VAL 52 3HG2 VAL 52 -4.413 1.337 -4.280 419 2HG1 VAL 52 1HG2 VAL 52 -4.387 0.007 -5.471 420 3HG1 VAL 52 2HG2 VAL 52 -4.058 -0.329 -3.765 421 1HG2 VAL 52 2HG1 VAL 52 -0.824 -0.767 -5.347 422 2HG2 VAL 52 3HG1 VAL 52 -2.064 -1.417 -4.217 423 3HG2 VAL 52 1HG1 VAL 52 -2.429 -1.239 -5.943 424 H THR 53 H THR 53 -0.710 3.219 -4.316 425 HA THR 53 HA THR 53 2.094 2.400 -5.146 426 HB THR 53 HB THR 53 1.196 5.384 -5.337 427 HG1 THR 53 HG1 THR 53 1.188 3.535 -7.101 428 1HG2 THR 53 2HG2 THR 53 3.512 5.227 -4.274 429 2HG2 THR 53 3HG2 THR 53 4.062 4.238 -5.657 430 3HG2 THR 53 1HG2 THR 53 3.555 5.915 -5.907 431 H VAL 54 H VAL 54 2.716 1.857 -3.346 432 HA VAL 54 HA VAL 54 1.345 2.679 -0.738 433 HB VAL 54 HB VAL 54 2.146 -0.050 -1.787 434 1HG1 VAL 54 3HG2 VAL 54 2.046 -0.462 0.339 435 2HG1 VAL 54 1HG2 VAL 54 0.346 -0.001 0.463 436 3HG1 VAL 54 2HG2 VAL 54 0.827 -1.333 -0.568 437 1HG2 VAL 54 1HG1 VAL 54 -0.565 1.226 -2.167 438 2HG2 VAL 54 2HG1 VAL 54 0.408 0.721 -3.447 439 3HG2 VAL 54 3HG1 VAL 54 -0.260 -0.541 -2.452 440 H GLU 55 H GLU 55 2.584 3.048 0.960 441 HA GLU 55 HA GLU 55 5.469 3.302 0.356 442 1HB GLU 55 1HB GLU 55 3.822 4.997 1.700 443 2HB GLU 55 2HB GLU 55 4.235 3.954 3.056 444 1HG GLU 55 1HG GLU 55 6.676 4.529 2.774 445 2HG GLU 55 2HG GLU 55 6.272 5.583 1.425 446 HE1 GLU 55 HE2 GLU 55 4.861 8.050 3.352 447 H LEU 56 H LEU 56 7.120 2.405 1.398 448 HA LEU 56 HA LEU 56 6.864 0.314 3.520 449 1HB LEU 56 1HB LEU 56 7.656 -1.497 2.359 450 2HB LEU 56 2HB LEU 56 6.463 -0.863 1.265 451 HG LEU 56 HG LEU 56 9.457 -0.387 1.110 452 1HD1 LEU 56 2HD1 LEU 56 8.704 -2.846 0.640 453 2HD1 LEU 56 3HD1 LEU 56 7.691 -2.258 -0.669 454 3HD1 LEU 56 1HD1 LEU 56 9.454 -2.104 -0.788 455 1HD2 LEU 56 3HD2 LEU 56 7.352 0.369 -0.965 456 2HD2 LEU 56 1HD2 LEU 56 8.488 1.424 -0.080 457 3HD2 LEU 56 2HD2 LEU 56 9.115 0.308 -1.294 458 H THR 57 H THR 57 9.582 -0.489 3.465 459 HA THR 57 HA THR 57 10.790 2.093 4.380 460 HB THR 57 HB THR 57 12.387 0.474 5.649 461 HG1 THR 57 HG1 THR 57 9.978 -0.984 5.666 462 1HG2 THR 57 2HG2 THR 57 11.192 2.235 6.774 463 2HG2 THR 57 3HG2 THR 57 9.740 1.199 6.906 464 3HG2 THR 57 1HG2 THR 57 11.263 0.748 7.748 465 HA PRO 58 HA PRO 58 14.478 1.342 1.653 466 1HB PRO 58 1HB PRO 58 15.900 1.869 4.179 467 2HB PRO 58 2HB PRO 58 16.289 2.401 2.557 468 1HG PRO 58 1HG PRO 58 15.008 4.147 4.035 469 2HG PRO 58 2HG PRO 58 14.134 3.824 2.534 470 1HD PRO 58 2HD PRO 58 13.687 2.408 5.280 471 2HD PRO 58 1HD PRO 58 12.484 3.162 4.406 472 H TYR 59 H TYR 59 14.487 0.123 4.771 473 HA TYR 59 HA TYR 59 16.444 -2.220 4.331 474 1HB TYR 59 1HB TYR 59 16.305 -0.575 6.443 475 2HB TYR 59 2HB TYR 59 15.007 -1.541 6.984 476 HD1 TYR 59 HD1 TYR 59 18.662 -1.483 6.323 477 HD2 TYR 59 HD2 TYR 59 15.419 -3.899 7.789 478 HE1 TYR 59 HE1 TYR 59 20.273 -3.055 7.335 479 HE2 TYR 59 HE2 TYR 59 17.038 -5.455 8.788 480 HH TYR 59 HH TYR 59 19.185 -5.954 9.058 481 H ASP 60 H ASP 60 13.159 -1.961 5.505 482 HA ASP 60 HA ASP 60 12.852 -5.040 5.480 483 1HB ASP 60 1HB ASP 60 12.795 -3.709 7.681 484 2HB ASP 60 2HB ASP 60 11.275 -2.999 7.163 485 HD2 ASP 60 HD2 ASP 60 9.473 -5.655 8.206 486 H LEU 61 H LEU 61 12.518 -4.513 3.118 487 HA LEU 61 HA LEU 61 10.056 -3.611 2.126 488 1HB LEU 61 1HB LEU 61 12.202 -5.507 0.965 489 2HB LEU 61 2HB LEU 61 10.836 -4.996 0.021 490 HG LEU 61 HG LEU 61 11.446 -2.565 0.308 491 1HD1 LEU 61 3HD1 LEU 61 14.067 -3.677 1.530 492 2HD1 LEU 61 1HD1 LEU 61 13.836 -2.026 0.898 493 3HD1 LEU 61 2HD1 LEU 61 12.913 -2.551 2.295 494 1HD2 LEU 61 3HD2 LEU 61 12.031 -3.931 -1.717 495 2HD2 LEU 61 1HD2 LEU 61 13.284 -2.714 -1.377 496 3HD2 LEU 61 2HD2 LEU 61 13.567 -4.425 -0.952 497 H SER 62 H SER 62 9.831 -6.442 3.822 498 HA SER 62 HA SER 62 8.027 -7.960 2.017 499 1HB SER 62 1HB SER 62 9.334 -8.961 3.932 500 2HB SER 62 2HB SER 62 8.281 -8.131 5.085 501 HG SER 62 HG SER 62 6.526 -9.248 3.704 502 H LYS 63 H LYS 63 7.169 -5.066 3.696 503 HA LYS 63 HA LYS 63 4.189 -5.711 3.463 504 1HB LYS 63 1HB LYS 63 5.818 -4.456 5.722 505 2HB LYS 63 2HB LYS 63 4.160 -4.140 5.554 506 1HG LYS 63 1HG LYS 63 4.797 -7.090 5.404 507 2HG LYS 63 2HG LYS 63 5.212 -6.312 6.894 508 1HD LYS 63 1HD LYS 63 2.820 -5.399 7.076 509 2HD LYS 63 2HD LYS 63 2.387 -6.286 5.633 510 1HE LYS 63 1HE LYS 63 3.470 -7.574 8.250 511 2HE LYS 63 2HE LYS 63 1.762 -7.391 7.871 512 1HZ LYS 63 1HZ LYS 63 3.654 -8.898 6.137 513 2HZ LYS 63 2HZ LYS 63 2.036 -8.811 5.936 514 H GLY 64 H GLY 64 2.977 -3.653 3.715 515 1HA GLY 64 1HA GLY 64 4.172 -1.053 2.631 516 2HA GLY 64 2HA GLY 64 3.079 -1.876 1.581 517 H ARG 65 H ARG 65 2.710 0.772 2.433 518 HA ARG 65 HA ARG 65 -0.188 0.307 3.115 519 1HB ARG 65 1HB ARG 65 -0.289 1.401 5.085 520 2HB ARG 65 2HB ARG 65 1.405 1.090 5.193 521 1HG ARG 65 2HG ARG 65 1.883 3.459 4.370 522 2HG ARG 65 1HG ARG 65 0.152 3.753 4.251 523 1HD ARG 65 1HD ARG 65 -0.151 3.344 6.702 524 2HD ARG 65 2HD ARG 65 1.577 3.080 6.911 525 1HH1 ARG 65 2HH2 ARG 65 3.247 4.201 6.035 526 2HH1 ARG 65 1HH2 ARG 65 4.117 5.825 6.062 527 1HH2 ARG 65 1HH1 ARG 65 1.133 7.370 6.642 528 2HH2 ARG 65 2HH1 ARG 65 2.956 7.575 6.430 529 H ILE 66 H ILE 66 -0.732 1.177 0.681 530 HA ILE 66 HA ILE 66 -0.618 3.153 -0.536 531 HB ILE 66 HB ILE 66 -3.506 3.271 0.121 532 1HG1 ILE 66 1HG1 ILE 66 -3.437 1.049 0.714 533 2HG1 ILE 66 2HG1 ILE 66 -4.291 1.218 -0.808 534 1HG2 ILE 66 2HG2 ILE 66 -2.643 4.366 -1.903 535 2HG2 ILE 66 3HG2 ILE 66 -2.061 2.820 -2.541 536 3HG2 ILE 66 1HG2 ILE 66 -3.805 3.102 -2.327 537 1HD1 ILE 66 3HD1 ILE 66 -1.415 0.277 -0.537 538 2HD1 ILE 66 1HD1 ILE 66 -2.654 -0.823 -0.392 539 3HD1 ILE 66 2HD1 ILE 66 -2.492 0.010 -1.948 540 H VAL 67 H VAL 67 0.322 5.002 0.054 541 HA VAL 67 HA VAL 67 -0.899 6.852 2.033 542 HB VAL 67 HB VAL 67 1.251 8.121 1.660 543 1HG1 VAL 67 3HG2 VAL 67 0.904 6.619 3.605 544 2HG1 VAL 67 1HG2 VAL 67 1.612 5.277 2.698 545 3HG1 VAL 67 2HG2 VAL 67 2.596 6.692 3.106 546 1HG2 VAL 67 2HG1 VAL 67 1.977 7.304 -0.591 547 2HG2 VAL 67 3HG1 VAL 67 3.220 7.124 0.665 548 3HG2 VAL 67 1HG1 VAL 67 2.307 5.703 0.106 549 H PHE 68 H PHE 68 -1.116 6.995 -1.412 550 HA PHE 68 HA PHE 68 -0.808 9.334 -2.505 551 1HB PHE 68 1HB PHE 68 -3.724 8.385 -2.358 552 2HB PHE 68 2HB PHE 68 -3.097 9.487 -3.527 553 HD1 PHE 68 HD2 PHE 68 -0.858 8.545 -4.876 554 HD2 PHE 68 HD1 PHE 68 -4.088 6.219 -3.243 555 HE1 PHE 68 HE2 PHE 68 -0.541 6.851 -6.633 556 HE2 PHE 68 HE1 PHE 68 -3.782 4.558 -5.025 557 HZ PHE 68 HZ PHE 68 -2.014 4.872 -6.728 558 H ARG 69 H ARG 69 -3.735 9.674 -0.421 559 HA ARG 69 HA ARG 69 -3.184 12.710 -0.370 560 1HB ARG 69 1HB ARG 69 -5.800 11.278 0.354 561 2HB ARG 69 2HB ARG 69 -5.535 12.997 0.187 562 1HG ARG 69 1HG ARG 69 -5.064 12.617 -2.346 563 2HG ARG 69 2HG ARG 69 -5.483 10.928 -2.097 564 1HD ARG 69 1HD ARG 69 -7.768 11.838 -1.069 565 2HD ARG 69 2HD ARG 69 -7.311 13.392 -1.780 566 1HH1 ARG 69 2HH2 ARG 69 -9.565 12.913 -2.105 567 2HH1 ARG 69 1HH2 ARG 69 -10.752 12.534 -3.456 568 1HH2 ARG 69 1HH1 ARG 69 -8.305 10.991 -5.227 569 2HH2 ARG 69 2HH1 ARG 69 -10.075 11.527 -5.159 570 H SER 70 H SER 70 -1.546 11.231 1.318 571 HA SER 70 HA SER 70 -2.285 12.405 4.018 572 1HB SER 70 1HB SER 70 -2.084 10.285 5.268 573 2HB SER 70 2HB SER 70 -3.405 10.225 4.112 574 HG SER 70 HG SER 70 -1.749 9.209 2.645 575 H ARG 71 H ARG 71 0.217 9.956 3.982 576 HA ARG 71 HA ARG 71 2.410 12.090 3.777 577 1HB ARG 71 2HB ARG 71 1.475 11.822 6.109 578 2HB ARG 71 1HB ARG 71 1.820 10.095 6.079 579 1HG ARG 71 1HG ARG 71 4.283 10.582 5.930 580 2HG ARG 71 2HG ARG 71 3.934 12.311 5.862 581 1HD ARG 71 1HD ARG 71 4.567 11.842 8.151 582 2HD ARG 71 2HD ARG 71 2.822 12.136 8.183 583 1HH1 ARG 71 2HH2 ARG 71 3.643 11.628 10.303 584 2HH1 ARG 71 1HH2 ARG 71 3.469 10.340 11.612 585 1HH2 ARG 71 1HH1 ARG 71 3.039 7.955 9.241 586 2HH2 ARG 71 2HH1 ARG 71 3.146 8.351 11.042 No H/Q in entry = 586 Start of MODEL 15 1 1H ALA 1 1H ALA 1 14.378 11.886 -1.335 2 2H ALA 1 2H ALA 1 14.850 10.819 -0.191 3 HA ALA 1 HA ALA 1 12.703 10.200 -0.967 4 1HB ALA 1 3HB ALA 1 12.873 11.432 -3.127 5 2HB ALA 1 1HB ALA 1 14.022 10.231 -3.766 6 3HB ALA 1 2HB ALA 1 12.340 9.765 -3.417 7 H LYS 2 H LYS 2 15.567 8.646 -2.479 8 HA LYS 2 HA LYS 2 14.480 5.911 -1.996 9 1HB LYS 2 1HB LYS 2 15.951 6.584 -3.952 10 2HB LYS 2 2HB LYS 2 17.325 6.706 -2.856 11 1HG LYS 2 1HG LYS 2 17.092 4.236 -2.305 12 2HG LYS 2 2HG LYS 2 15.659 4.135 -3.321 13 1HD LYS 2 1HD LYS 2 17.066 4.807 -5.356 14 2HD LYS 2 2HD LYS 2 18.473 4.926 -4.314 15 1HE LYS 2 1HE LYS 2 18.660 2.794 -5.396 16 2HE LYS 2 2HE LYS 2 18.248 2.440 -3.722 17 1HZ LYS 2 1HZ LYS 2 16.279 2.549 -5.972 18 2HZ LYS 2 2HZ LYS 2 15.912 2.179 -4.426 19 H GLU 3 H GLU 3 16.834 7.801 -0.165 20 HA GLU 3 HA GLU 3 17.442 5.472 1.690 21 1HB GLU 3 1HB GLU 3 19.093 6.874 2.720 22 2HB GLU 3 2HB GLU 3 19.272 6.954 0.981 23 1HG GLU 3 1HG GLU 3 18.097 9.268 1.016 24 2HG GLU 3 2HG GLU 3 17.993 9.150 2.768 25 HE1 GLU 3 HE2 GLU 3 21.449 10.004 0.992 26 H ASP 4 H ASP 4 14.732 6.228 1.718 27 HA ASP 4 HA ASP 4 14.264 6.376 4.658 28 1HB ASP 4 1HB ASP 4 14.420 8.877 3.745 29 2HB ASP 4 2HB ASP 4 12.870 8.586 2.993 30 HD2 ASP 4 HD2 ASP 4 13.291 9.244 6.898 31 H ASN 5 H ASN 5 11.497 6.910 4.414 32 HA ASN 5 HA ASN 5 10.571 4.128 3.589 33 1HB ASN 5 1HB ASN 5 9.047 6.441 4.944 34 2HB ASN 5 2HB ASN 5 8.296 4.930 4.451 35 1HD2 ASN 5 1HD2 ASN 5 8.998 4.226 7.900 36 2HD2 ASN 5 2HD2 ASN 5 7.794 5.079 6.795 37 H ILE 6 H ILE 6 10.456 3.978 1.312 38 HA ILE 6 HA ILE 6 9.717 6.312 -0.344 39 HB ILE 6 HB ILE 6 10.145 3.513 -1.496 40 1HG1 ILE 6 1HG1 ILE 6 12.470 5.144 -0.414 41 2HG1 ILE 6 2HG1 ILE 6 11.854 3.623 0.105 42 1HG2 ILE 6 2HG2 ILE 6 9.612 5.481 -3.074 43 2HG2 ILE 6 3HG2 ILE 6 11.081 6.313 -2.494 44 3HG2 ILE 6 1HG2 ILE 6 11.191 4.792 -3.406 45 1HD1 ILE 6 2HD1 ILE 6 12.449 2.451 -2.026 46 2HD1 ILE 6 3HD1 ILE 6 13.172 3.955 -2.652 47 3HD1 ILE 6 1HD1 ILE 6 13.867 3.161 -1.222 48 H GLU 7 H GLU 7 8.126 6.294 -1.812 49 HA GLU 7 HA GLU 7 5.827 4.379 -1.490 50 1HB GLU 7 1HB GLU 7 4.049 5.840 -2.222 51 2HB GLU 7 2HB GLU 7 4.779 6.231 -0.695 52 1HG GLU 7 2HG GLU 7 6.075 7.961 -1.851 53 2HG GLU 7 1HG GLU 7 5.462 7.473 -3.415 54 HE1 GLU 7 HE2 GLU 7 2.431 9.156 -3.058 55 H MET 8 H MET 8 5.318 3.275 -2.794 56 HA MET 8 HA MET 8 6.885 3.326 -5.525 57 1HB MET 8 1HB MET 8 8.317 3.073 -3.424 58 2HB MET 8 2HB MET 8 7.360 1.685 -2.907 59 1HG MET 8 2HG MET 8 8.379 0.293 -4.361 60 2HG MET 8 1HG MET 8 8.707 1.581 -5.557 61 1HE MET 8 1HE MET 8 11.103 0.380 -5.837 62 2HE MET 8 3HE MET 8 12.276 0.162 -4.500 63 3HE MET 8 2HE MET 8 10.753 -0.779 -4.519 64 H GLN 9 H GLN 9 4.089 2.114 -4.355 65 HA GLN 9 HA GLN 9 4.309 -0.466 -5.669 66 1HB GLN 9 1HB GLN 9 3.247 0.417 -3.324 67 2HB GLN 9 2HB GLN 9 1.949 -0.383 -4.168 68 1HG GLN 9 1HG GLN 9 2.930 -1.967 -2.715 69 2HG GLN 9 2HG GLN 9 3.666 -2.418 -4.220 70 1HE2 GLN 9 2HE2 GLN 9 6.107 -1.280 -1.219 71 2HE2 GLN 9 1HE2 GLN 9 4.322 -1.651 -0.999 72 H GLY 10 H GLY 10 1.550 -1.112 -5.898 73 1HA GLY 10 2HA GLY 10 1.434 -0.505 -8.937 74 2HA GLY 10 1HA GLY 10 1.775 -2.112 -8.321 75 H THR 11 H THR 11 0.232 -3.566 -8.150 76 HA THR 11 HA THR 11 -2.599 -2.634 -8.961 77 HB THR 11 HB THR 11 -1.284 -5.412 -9.525 78 HG1 THR 11 HG1 THR 11 -1.546 -4.424 -11.756 79 1HG2 THR 11 3HG2 THR 11 -3.811 -4.076 -10.757 80 2HG2 THR 11 1HG2 THR 11 -3.139 -5.668 -11.198 81 3HG2 THR 11 2HG2 THR 11 -3.823 -5.415 -9.586 82 H VAL 12 H VAL 12 -4.204 -3.111 -7.605 83 HA VAL 12 HA VAL 12 -3.663 -4.368 -5.009 84 HB VAL 12 HB VAL 12 -6.434 -4.192 -6.347 85 1HG1 VAL 12 1HG2 VAL 12 -5.558 -5.013 -3.508 86 2HG1 VAL 12 2HG2 VAL 12 -7.233 -4.517 -3.853 87 3HG1 VAL 12 3HG2 VAL 12 -6.545 -5.941 -4.630 88 1HG2 VAL 12 1HG1 VAL 12 -5.278 -2.230 -4.350 89 2HG2 VAL 12 2HG1 VAL 12 -6.010 -1.898 -5.933 90 3HG2 VAL 12 3HG1 VAL 12 -7.013 -2.488 -4.625 91 H LEU 13 H LEU 13 -2.985 -6.757 -5.434 92 HA LEU 13 HA LEU 13 -4.703 -8.454 -7.307 93 1HB LEU 13 1HB LEU 13 -2.145 -9.242 -5.865 94 2HB LEU 13 2HB LEU 13 -3.100 -10.284 -6.905 95 HG LEU 13 HG LEU 13 -1.711 -7.667 -7.782 96 1HD1 LEU 13 2HD1 LEU 13 -0.211 -9.645 -7.370 97 2HD1 LEU 13 3HD1 LEU 13 -1.137 -10.595 -8.565 98 3HD1 LEU 13 1HD1 LEU 13 -0.238 -9.145 -9.083 99 1HD2 LEU 13 2HD2 LEU 13 -3.361 -9.636 -9.524 100 2HD2 LEU 13 3HD2 LEU 13 -3.734 -7.922 -9.218 101 3HD2 LEU 13 1HD2 LEU 13 -2.307 -8.348 -10.163 102 H GLU 14 H GLU 14 -4.268 -8.210 -3.806 103 HA GLU 14 HA GLU 14 -7.178 -9.243 -3.765 104 1HB GLU 14 1HB GLU 14 -5.781 -11.057 -3.009 105 2HB GLU 14 2HB GLU 14 -4.917 -10.018 -1.872 106 1HG GLU 14 1HG GLU 14 -6.289 -11.352 -0.614 107 2HG GLU 14 2HG GLU 14 -6.993 -9.802 -0.464 108 HE2 GLU 14 HE2 GLU 14 -9.278 -12.710 -1.514 109 H THR 15 H THR 15 -8.196 -8.607 -1.927 110 HA THR 15 HA THR 15 -7.607 -5.772 -0.746 111 HB THR 15 HB THR 15 -10.067 -5.506 -0.199 112 HG1 THR 15 HG1 THR 15 -10.693 -7.582 -1.100 113 1HG2 THR 15 2HG2 THR 15 -8.685 -4.092 -1.788 114 2HG2 THR 15 3HG2 THR 15 -9.229 -5.121 -3.127 115 3HG2 THR 15 1HG2 THR 15 -10.409 -4.149 -2.194 116 H LEU 16 H LEU 16 -6.908 -6.425 1.036 117 HA LEU 16 HA LEU 16 -6.893 -9.155 1.957 118 1HB LEU 16 1HB LEU 16 -5.668 -6.412 2.593 119 2HB LEU 16 2HB LEU 16 -5.519 -7.598 3.791 120 HG LEU 16 HG LEU 16 -4.381 -7.683 1.071 121 1HD1 LEU 16 2HD2 LEU 16 -3.298 -6.146 2.740 122 2HD1 LEU 16 3HD2 LEU 16 -3.106 -7.499 3.873 123 3HD1 LEU 16 1HD2 LEU 16 -2.237 -7.487 2.304 124 1HD2 LEU 16 2HD1 LEU 16 -4.203 -9.712 3.269 125 2HD2 LEU 16 3HD1 LEU 16 -4.858 -9.898 1.568 126 3HD2 LEU 16 1HD1 LEU 16 -3.100 -9.595 1.827 127 HA PRO 17 HA PRO 17 -9.816 -9.272 5.487 128 1HB PRO 17 2HB PRO 17 -9.248 -8.026 7.890 129 2HB PRO 17 1HB PRO 17 -8.367 -9.436 7.260 130 1HG PRO 17 2HG PRO 17 -7.734 -6.478 7.315 131 2HG PRO 17 1HG PRO 17 -6.713 -7.853 7.845 132 1HD PRO 17 2HD PRO 17 -6.588 -6.784 5.512 133 2HD PRO 17 1HD PRO 17 -6.307 -8.544 5.656 134 H ASN 18 H ASN 18 -9.702 -5.816 6.605 135 HA ASN 18 HA ASN 18 -12.559 -5.399 5.879 136 1HB ASN 18 1HB ASN 18 -10.467 -3.639 7.075 137 2HB ASN 18 2HB ASN 18 -12.110 -3.141 6.806 138 1HD2 ASN 18 1HD2 ASN 18 -12.086 -4.041 10.237 139 2HD2 ASN 18 2HD2 ASN 18 -11.469 -2.713 9.132 140 H THR 19 H THR 19 -9.959 -3.265 4.972 141 HA THR 19 HA THR 19 -10.485 -3.501 1.979 142 HB THR 19 HB THR 19 -11.312 -1.186 3.615 143 HG1 THR 19 HG1 THR 19 -12.602 -3.022 2.671 144 1HG2 THR 19 3HG2 THR 19 -10.809 -1.117 0.526 145 2HG2 THR 19 1HG2 THR 19 -11.618 0.163 1.460 146 3HG2 THR 19 2HG2 THR 19 -9.889 -0.142 1.693 147 H MET 20 H MET 20 -8.462 -4.473 3.152 148 HA MET 20 HA MET 20 -6.081 -2.774 2.641 149 1HB MET 20 1HB MET 20 -6.681 -5.374 4.062 150 2HB MET 20 2HB MET 20 -5.044 -4.716 3.926 151 1HG MET 20 1HG MET 20 -5.971 -2.583 5.034 152 2HG MET 20 2HG MET 20 -7.467 -3.346 5.198 153 1HE MET 20 1HE MET 20 -3.625 -3.927 5.981 154 2HE MET 20 3HE MET 20 -3.660 -4.900 7.473 155 3HE MET 20 2HE MET 20 -4.060 -5.657 5.903 156 H PHE 21 H PHE 21 -4.126 -4.777 1.756 157 HA PHE 21 HA PHE 21 -4.984 -4.937 -1.269 158 1HB PHE 21 1HB PHE 21 -2.721 -3.085 -0.664 159 2HB PHE 21 2HB PHE 21 -3.575 -3.644 -2.148 160 HD1 PHE 21 HD2 PHE 21 -5.825 -3.196 -2.483 161 HD2 PHE 21 HD1 PHE 21 -4.029 -1.929 0.873 162 HE1 PHE 21 HE2 PHE 21 -7.969 -1.992 -1.908 163 HE2 PHE 21 HE1 PHE 21 -6.347 -1.125 1.523 164 HZ PHE 21 HZ PHE 21 -8.003 -0.446 -0.169 165 H ARG 22 H ARG 22 -4.093 -7.117 -1.466 166 HA ARG 22 HA ARG 22 -1.205 -7.696 -0.577 167 1HB ARG 22 1HB ARG 22 -3.068 -9.535 -0.441 168 2HB ARG 22 2HB ARG 22 -2.736 -9.666 -2.161 169 1HG ARG 22 1HG ARG 22 -0.204 -9.909 -1.561 170 2HG ARG 22 2HG ARG 22 -0.685 -10.004 0.127 171 1HD ARG 22 1HD ARG 22 -2.114 -12.042 -0.411 172 2HD ARG 22 2HD ARG 22 -1.605 -11.912 -2.120 173 1HH1 ARG 22 2HH2 ARG 22 -1.554 -14.109 -1.686 174 2HH1 ARG 22 1HH2 ARG 22 -0.361 -15.511 -1.560 175 1HH2 ARG 22 1HH1 ARG 22 1.960 -13.424 -0.242 176 2HH2 ARG 22 2HH1 ARG 22 1.551 -15.147 -0.776 177 H VAL 23 H VAL 23 0.012 -6.477 -1.801 178 HA VAL 23 HA VAL 23 -0.921 -5.812 -4.646 179 HB VAL 23 HB VAL 23 1.170 -4.091 -3.286 180 1HG1 VAL 23 3HG2 VAL 23 0.459 -3.581 -5.716 181 2HG1 VAL 23 1HG2 VAL 23 -1.180 -3.325 -5.104 182 3HG1 VAL 23 2HG2 VAL 23 0.141 -2.276 -4.559 183 1HG2 VAL 23 1HG1 VAL 23 -1.830 -4.082 -2.889 184 2HG2 VAL 23 2HG1 VAL 23 -0.647 -4.087 -1.568 185 3HG2 VAL 23 3HG1 VAL 23 -0.943 -2.600 -2.508 186 H GLU 24 H GLU 24 0.223 -5.837 -6.305 187 HA GLU 24 HA GLU 24 3.050 -7.137 -6.325 188 1HB GLU 24 1HB GLU 24 1.542 -8.394 -7.653 189 2HB GLU 24 2HB GLU 24 0.841 -7.009 -8.470 190 1HG GLU 24 1HG GLU 24 3.785 -7.887 -8.869 191 2HG GLU 24 2HG GLU 24 2.466 -8.587 -9.776 192 HE1 GLU 24 HE2 GLU 24 1.927 -5.196 -11.177 193 H LEU 25 H LEU 25 4.641 -5.514 -6.234 194 HA LEU 25 HA LEU 25 3.992 -2.760 -6.910 195 1HB LEU 25 1HB LEU 25 5.625 -2.383 -5.563 196 2HB LEU 25 2HB LEU 25 5.588 -4.040 -5.126 197 HG LEU 25 HG LEU 25 7.300 -4.208 -6.950 198 1HD1 LEU 25 2HD1 LEU 25 7.651 -1.526 -7.091 199 2HD1 LEU 25 3HD1 LEU 25 7.830 -1.513 -5.351 200 3HD1 LEU 25 1HD1 LEU 25 9.101 -2.200 -6.356 201 1HD2 LEU 25 2HD2 LEU 25 7.603 -5.218 -4.740 202 2HD2 LEU 25 3HD2 LEU 25 9.097 -4.333 -5.066 203 3HD2 LEU 25 1HD2 LEU 25 7.897 -3.642 -3.970 204 H GLU 26 H GLU 26 5.944 -1.635 -7.852 205 HA GLU 26 HA GLU 26 5.887 -2.186 -10.849 206 1HB GLU 26 1HB GLU 26 7.032 -0.114 -11.260 207 2HB GLU 26 2HB GLU 26 5.677 0.171 -10.204 208 1HG GLU 26 1HG GLU 26 7.451 1.613 -9.461 209 2HG GLU 26 2HG GLU 26 7.264 0.404 -8.223 210 HE1 GLU 26 HE2 GLU 26 10.575 0.431 -10.493 211 H ASN 27 H ASN 27 7.747 -3.282 -8.283 212 HA ASN 27 HA ASN 27 10.116 -4.094 -10.148 213 1HB ASN 27 2HB ASN 27 10.629 -3.100 -7.887 214 2HB ASN 27 1HB ASN 27 9.572 -4.301 -7.154 215 1HD2 ASN 27 1HD2 ASN 27 12.338 -5.709 -6.079 216 2HD2 ASN 27 2HD2 ASN 27 11.317 -4.232 -5.825 217 H GLY 28 H GLY 28 6.978 -5.230 -9.334 218 1HA GLY 28 1HA GLY 28 5.993 -7.316 -10.014 219 2HA GLY 28 2HA GLY 28 7.567 -7.949 -10.341 220 H HIS 29 H HIS 29 7.966 -7.012 -7.349 221 HA HIS 29 HA HIS 29 7.496 -9.733 -6.103 222 1HB HIS 29 1HB HIS 29 8.801 -7.159 -4.995 223 2HB HIS 29 2HB HIS 29 8.539 -8.577 -4.021 224 HD2 HIS 29 HD2 HIS 29 10.418 -7.794 -7.438 225 HE1 HIS 29 HE1 HIS 29 12.614 -10.640 -5.323 226 HE2 HIS 29 HE2 HIS 29 12.659 -9.213 -7.483 227 H VAL 30 H VAL 30 5.892 -10.277 -4.734 228 HA VAL 30 HA VAL 30 3.624 -8.376 -4.379 229 HB VAL 30 HB VAL 30 3.923 -11.386 -3.926 230 1HG1 VAL 30 1HG2 VAL 30 1.370 -9.734 -3.372 231 2HG1 VAL 30 2HG2 VAL 30 1.454 -11.516 -3.467 232 3HG1 VAL 30 3HG2 VAL 30 2.301 -10.665 -2.175 233 1HG2 VAL 30 2HG1 VAL 30 3.619 -10.504 -6.321 234 2HG2 VAL 30 3HG1 VAL 30 2.236 -11.490 -5.794 235 3HG2 VAL 30 1HG1 VAL 30 2.111 -9.712 -5.815 236 H VAL 31 H VAL 31 3.130 -7.354 -2.776 237 HA VAL 31 HA VAL 31 4.349 -7.793 0.036 238 HB VAL 31 HB VAL 31 4.049 -5.274 0.383 239 1HG1 VAL 31 3HG2 VAL 31 6.276 -6.312 -0.026 240 2HG1 VAL 31 1HG2 VAL 31 6.134 -5.931 -1.750 241 3HG1 VAL 31 2HG2 VAL 31 6.162 -4.625 -0.519 242 1HG2 VAL 31 2HG1 VAL 31 2.521 -4.804 -1.616 243 2HG2 VAL 31 3HG1 VAL 31 3.928 -3.726 -1.474 244 3HG2 VAL 31 1HG1 VAL 31 3.925 -5.027 -2.686 245 H THR 32 H THR 32 3.210 -7.053 1.825 246 HA THR 32 HA THR 32 0.138 -7.362 1.637 247 HB THR 32 HB THR 32 2.184 -7.833 3.910 248 HG1 THR 32 HG1 THR 32 1.605 -9.453 2.307 249 1HG2 THR 32 2HG2 THR 32 -0.878 -7.846 4.260 250 2HG2 THR 32 3HG2 THR 32 0.313 -8.462 5.438 251 3HG2 THR 32 1HG2 THR 32 0.256 -6.734 5.049 252 H ALA 33 H ALA 33 -0.786 -5.204 1.457 253 HA ALA 33 HA ALA 33 0.051 -3.244 3.661 254 1HB ALA 33 2HB ALA 33 0.846 -2.894 1.328 255 2HB ALA 33 3HB ALA 33 -0.836 -2.939 0.707 256 3HB ALA 33 1HB ALA 33 -0.321 -1.642 1.816 257 H HIS 34 H HIS 34 -1.251 -1.682 4.293 258 HA HIS 34 HA HIS 34 -4.286 -1.885 3.806 259 1HB HIS 34 1HB HIS 34 -4.234 -0.024 5.819 260 2HB HIS 34 2HB HIS 34 -4.376 -1.687 6.133 261 HD2 HIS 34 HD2 HIS 34 -1.743 1.191 6.288 262 HE1 HIS 34 HE1 HIS 34 -0.268 -1.899 8.675 263 HE2 HIS 34 HE2 HIS 34 0.223 0.532 7.982 264 H ILE 35 H ILE 35 -5.313 0.522 3.774 265 HA ILE 35 HA ILE 35 -3.392 2.426 2.459 266 HB ILE 35 HB ILE 35 -5.039 3.583 1.903 267 1HG1 ILE 35 1HG1 ILE 35 -7.603 3.272 3.195 268 2HG1 ILE 35 2HG1 ILE 35 -6.444 3.249 4.480 269 1HG2 ILE 35 2HG2 ILE 35 -5.608 1.601 0.706 270 2HG2 ILE 35 3HG2 ILE 35 -6.856 1.187 1.927 271 3HG2 ILE 35 1HG2 ILE 35 -7.031 2.623 0.900 272 1HD1 ILE 35 2HD1 ILE 35 -5.391 5.429 3.247 273 2HD1 ILE 35 3HD1 ILE 35 -6.965 5.482 2.420 274 3HD1 ILE 35 1HD1 ILE 35 -6.847 5.616 4.198 275 H SER 36 H SER 36 -3.114 4.699 3.590 276 HA SER 36 HA SER 36 -2.285 4.306 6.391 277 1HB SER 36 1HB SER 36 -1.399 6.525 6.122 278 2HB SER 36 2HB SER 36 -1.169 5.731 4.582 279 HG SER 36 HG SER 36 -2.044 7.796 4.277 280 H GLY 37 H GLY 37 -5.153 4.108 6.065 281 1HA GLY 37 1HA GLY 37 -7.130 4.452 7.470 282 2HA GLY 37 2HA GLY 37 -6.023 5.015 8.700 283 H LYS 38 H LYS 38 -5.145 7.291 7.659 284 HA LYS 38 HA LYS 38 -7.207 9.253 8.347 285 1HB LYS 38 2HB LYS 38 -4.512 9.840 6.951 286 2HB LYS 38 1HB LYS 38 -5.412 10.849 8.050 287 1HG LYS 38 1HG LYS 38 -4.827 9.209 9.957 288 2HG LYS 38 2HG LYS 38 -3.827 8.320 8.796 289 1HD LYS 38 1HD LYS 38 -2.476 10.419 8.359 290 2HD LYS 38 2HD LYS 38 -3.403 11.298 9.563 291 1HE LYS 38 1HE LYS 38 -1.717 8.751 10.147 292 2HE LYS 38 2HE LYS 38 -1.120 10.399 10.333 293 1HZ LYS 38 1HZ LYS 38 -3.457 9.273 11.795 294 2HZ LYS 38 2HZ LYS 38 -2.941 10.811 11.940 295 H MET 39 H MET 39 -5.777 8.484 5.215 296 HA MET 39 HA MET 39 -7.560 10.442 3.804 297 1HB MET 39 1HB MET 39 -6.699 9.054 1.721 298 2HB MET 39 2HB MET 39 -5.829 10.407 2.388 299 1HG MET 39 1HG MET 39 -4.171 9.096 3.276 300 2HG MET 39 2HG MET 39 -5.078 7.609 3.084 301 1HE MET 39 1HE MET 39 -6.089 6.947 0.654 302 2HE MET 39 3HE MET 39 -4.908 6.801 -0.674 303 3HE MET 39 2HE MET 39 -4.578 6.028 0.908 304 H ARG 40 H ARG 40 -8.076 6.934 4.270 305 HA ARG 40 HA ARG 40 -10.109 6.246 2.799 306 1HB ARG 40 1HB ARG 40 -10.260 6.492 5.903 307 2HB ARG 40 2HB ARG 40 -11.413 5.620 4.969 308 1HG ARG 40 1HG ARG 40 -9.461 4.181 4.012 309 2HG ARG 40 2HG ARG 40 -8.481 4.911 5.293 310 1HD ARG 40 1HD ARG 40 -10.075 4.013 7.029 311 2HD ARG 40 2HD ARG 40 -11.003 3.206 5.769 312 1HH1 ARG 40 2HH2 ARG 40 -10.454 1.959 4.120 313 2HH1 ARG 40 1HH2 ARG 40 -9.549 0.424 3.640 314 1HH2 ARG 40 1HH1 ARG 40 -7.412 0.778 6.221 315 2HH2 ARG 40 2HH1 ARG 40 -7.941 -0.206 4.732 316 H LYS 41 H LYS 41 -10.591 9.068 4.828 317 HA LYS 41 HA LYS 41 -13.400 9.572 3.670 318 1HB LYS 41 1HB LYS 41 -11.915 10.567 6.226 319 2HB LYS 41 2HB LYS 41 -13.358 11.302 5.669 320 1HG LYS 41 1HG LYS 41 -13.159 8.349 6.523 321 2HG LYS 41 2HG LYS 41 -13.718 9.664 7.543 322 1HD LYS 41 1HD LYS 41 -15.650 10.102 5.960 323 2HD LYS 41 2HD LYS 41 -15.104 8.774 4.928 324 1HE LYS 41 1HE LYS 41 -15.377 7.139 6.855 325 2HE LYS 41 2HE LYS 41 -15.937 8.456 7.896 326 1HZ LYS 41 1HZ LYS 41 -17.237 7.623 5.340 327 2HZ LYS 41 2HZ LYS 41 -17.750 8.857 6.276 328 H ASN 42 H ASN 42 -10.991 9.996 2.285 329 HA ASN 42 HA ASN 42 -11.622 12.702 1.030 330 1HB ASN 42 1HB ASN 42 -9.709 13.025 2.709 331 2HB ASN 42 2HB ASN 42 -8.800 11.754 1.915 332 1HD2 ASN 42 1HD2 ASN 42 -7.397 14.793 0.662 333 2HD2 ASN 42 2HD2 ASN 42 -7.511 13.894 2.252 334 H TYR 43 H TYR 43 -9.444 9.937 0.843 335 HA TYR 43 HA TYR 43 -9.907 9.325 -2.093 336 1HB TYR 43 2HB TYR 43 -7.642 9.320 -1.226 337 2HB TYR 43 1HB TYR 43 -8.129 8.246 0.045 338 HD1 TYR 43 HD2 TYR 43 -8.376 5.821 -0.298 339 HD2 TYR 43 HD1 TYR 43 -7.218 8.411 -3.532 340 HE1 TYR 43 HE2 TYR 43 -7.358 3.917 -1.457 341 HE2 TYR 43 HE1 TYR 43 -6.242 6.482 -4.706 342 HH TYR 43 HH TYR 43 -5.849 4.304 -4.667 343 H ILE 44 H ILE 44 -12.378 8.958 -1.075 344 HA ILE 44 HA ILE 44 -13.425 6.938 -0.198 345 HB ILE 44 HB ILE 44 -14.319 7.936 -2.842 346 1HG1 ILE 44 1HG1 ILE 44 -15.010 8.958 -0.016 347 2HG1 ILE 44 2HG1 ILE 44 -14.006 9.788 -1.173 348 1HG2 ILE 44 3HG2 ILE 44 -15.521 5.801 -2.188 349 2HG2 ILE 44 1HG2 ILE 44 -15.985 6.534 -0.632 350 3HG2 ILE 44 2HG2 ILE 44 -16.631 7.167 -2.166 351 1HD1 ILE 44 2HD1 ILE 44 -15.955 10.042 -2.782 352 2HD1 ILE 44 3HD1 ILE 44 -17.029 9.352 -1.537 353 3HD1 ILE 44 1HD1 ILE 44 -16.174 10.876 -1.226 354 H ARG 45 H ARG 45 -12.443 5.348 -0.185 355 HA ARG 45 HA ARG 45 -10.676 3.986 -1.453 356 1HB ARG 45 2HB ARG 45 -12.754 2.479 0.160 357 2HB ARG 45 1HB ARG 45 -11.127 1.941 -0.020 358 1HG ARG 45 1HG ARG 45 -10.433 3.027 1.827 359 2HG ARG 45 2HG ARG 45 -10.773 4.554 1.071 360 1HD ARG 45 1HD ARG 45 -12.145 4.786 2.923 361 2HD ARG 45 2HD ARG 45 -13.342 4.119 1.864 362 1HH1 ARG 45 2HH2 ARG 45 -14.236 2.315 1.645 363 2HH1 ARG 45 1HH2 ARG 45 -14.872 0.777 2.439 364 1HH2 ARG 45 1HH1 ARG 45 -12.632 1.118 4.952 365 2HH2 ARG 45 2HH1 ARG 45 -14.014 0.132 4.215 366 H ILE 46 H ILE 46 -10.741 1.488 -1.685 367 HA ILE 46 HA ILE 46 -11.375 1.158 -4.687 368 HB ILE 46 HB ILE 46 -9.077 0.604 -5.127 369 1HG1 ILE 46 1HG1 ILE 46 -7.872 2.146 -2.817 370 2HG1 ILE 46 2HG1 ILE 46 -8.606 0.648 -2.292 371 1HG2 ILE 46 2HG2 ILE 46 -9.916 2.854 -5.723 372 2HG2 ILE 46 3HG2 ILE 46 -9.392 3.486 -4.141 373 3HG2 ILE 46 1HG2 ILE 46 -8.181 2.890 -5.294 374 1HD1 ILE 46 3HD1 ILE 46 -6.677 0.763 -4.676 375 2HD1 ILE 46 1HD1 ILE 46 -6.246 0.323 -2.976 376 3HD1 ILE 46 2HD1 ILE 46 -7.411 -0.655 -3.896 377 H LEU 47 H LEU 47 -10.439 -0.944 -5.549 378 HA LEU 47 HA LEU 47 -11.529 -3.208 -3.830 379 1HB LEU 47 1HB LEU 47 -13.405 -2.026 -5.078 380 2HB LEU 47 2HB LEU 47 -12.631 -2.427 -6.598 381 HG LEU 47 HG LEU 47 -13.100 -4.854 -6.235 382 1HD1 LEU 47 3HD1 LEU 47 -14.419 -3.976 -3.562 383 2HD1 LEU 47 1HD1 LEU 47 -14.548 -5.595 -4.291 384 3HD1 LEU 47 2HD1 LEU 47 -12.983 -5.015 -3.711 385 1HD2 LEU 47 3HD2 LEU 47 -14.814 -3.419 -7.341 386 2HD2 LEU 47 1HD2 LEU 47 -15.575 -4.728 -6.420 387 3HD2 LEU 47 2HD2 LEU 47 -15.574 -3.072 -5.769 388 H THR 48 H THR 48 -11.464 -5.298 -5.322 389 HA THR 48 HA THR 48 -8.627 -5.926 -5.652 390 HB THR 48 HB THR 48 -10.916 -7.634 -6.481 391 HG1 THR 48 HG1 THR 48 -9.713 -7.305 -3.927 392 1HG2 THR 48 3HG2 THR 48 -8.045 -8.342 -5.612 393 2HG2 THR 48 1HG2 THR 48 -9.354 -9.541 -5.769 394 3HG2 THR 48 2HG2 THR 48 -8.780 -8.653 -7.195 395 H GLY 49 H GLY 49 -7.810 -4.664 -7.092 396 1HA GLY 49 1HA GLY 49 -6.581 -5.081 -9.311 397 2HA GLY 49 2HA GLY 49 -8.141 -5.283 -10.124 398 H ASP 50 H ASP 50 -7.603 -2.862 -7.731 399 HA ASP 50 HA ASP 50 -7.695 -0.603 -9.730 400 1HB ASP 50 1HB ASP 50 -8.152 -0.829 -6.780 401 2HB ASP 50 2HB ASP 50 -7.921 0.715 -7.507 402 HD1 ASP 50 HD2 ASP 50 -10.889 0.776 -9.248 403 H LYS 51 H LYS 51 -6.195 1.036 -9.823 404 HA LYS 51 HA LYS 51 -3.499 0.515 -9.265 405 1HB LYS 51 1HB LYS 51 -4.589 3.195 -10.130 406 2HB LYS 51 2HB LYS 51 -2.950 2.581 -10.293 407 1HG LYS 51 2HG LYS 51 -5.466 1.571 -11.630 408 2HG LYS 51 1HG LYS 51 -4.072 2.318 -12.386 409 1HD LYS 51 2HD LYS 51 -3.028 -0.061 -11.237 410 2HD LYS 51 1HD LYS 51 -4.637 -0.531 -11.613 411 1HE LYS 51 1HE LYS 51 -3.420 -1.184 -13.550 412 2HE LYS 51 2HE LYS 51 -4.281 0.264 -14.067 413 1HZ LYS 51 1HZ LYS 51 -1.445 0.174 -13.117 414 2HZ LYS 51 2HZ LYS 51 -2.216 1.540 -13.543 415 H VAL 52 H VAL 52 -2.598 0.557 -7.677 416 HA VAL 52 HA VAL 52 -2.787 2.632 -5.411 417 HB VAL 52 HB VAL 52 -2.052 0.807 -3.876 418 1HG1 VAL 52 3HG2 VAL 52 -4.527 1.228 -4.211 419 2HG1 VAL 52 1HG2 VAL 52 -4.561 -0.097 -5.402 420 3HG1 VAL 52 2HG2 VAL 52 -4.155 -0.446 -3.709 421 1HG2 VAL 52 2HG1 VAL 52 -1.023 -0.825 -5.536 422 2HG2 VAL 52 3HG1 VAL 52 -2.181 -1.546 -4.359 423 3HG2 VAL 52 1HG1 VAL 52 -2.657 -1.284 -6.045 424 H THR 53 H THR 53 -0.917 3.050 -4.163 425 HA THR 53 HA THR 53 1.835 2.371 -5.188 426 HB THR 53 HB THR 53 0.891 5.353 -5.258 427 HG1 THR 53 HG1 THR 53 0.959 3.428 -7.083 428 1HG2 THR 53 2HG2 THR 53 3.280 5.174 -4.375 429 2HG2 THR 53 3HG2 THR 53 3.719 4.186 -5.795 430 3HG2 THR 53 1HG2 THR 53 3.223 5.874 -6.002 431 H VAL 54 H VAL 54 2.381 1.704 -3.450 432 HA VAL 54 HA VAL 54 1.229 2.470 -0.734 433 HB VAL 54 HB VAL 54 2.431 -0.148 -1.649 434 1HG1 VAL 54 3HG2 VAL 54 2.115 -0.394 0.517 435 2HG1 VAL 54 1HG2 VAL 54 0.358 -0.083 0.444 436 3HG1 VAL 54 2HG2 VAL 54 1.059 -1.487 -0.362 437 1HG2 VAL 54 2HG1 VAL 54 0.300 0.561 -3.243 438 2HG2 VAL 54 3HG1 VAL 54 0.582 -1.083 -2.679 439 3HG2 VAL 54 1HG1 VAL 54 -0.601 -0.062 -1.891 440 H GLU 55 H GLU 55 2.592 2.906 1.018 441 HA GLU 55 HA GLU 55 5.430 3.415 0.196 442 1HB GLU 55 1HB GLU 55 3.851 5.066 1.653 443 2HB GLU 55 2HB GLU 55 4.321 3.998 2.964 444 1HG GLU 55 2HG GLU 55 6.678 4.628 2.496 445 2HG GLU 55 1HG GLU 55 6.173 5.760 1.253 446 HE2 GLU 55 HE2 GLU 55 7.460 6.993 2.649 447 H LEU 56 H LEU 56 7.177 2.475 1.215 448 HA LEU 56 HA LEU 56 6.740 0.240 3.242 449 1HB LEU 56 1HB LEU 56 7.702 -1.461 2.097 450 2HB LEU 56 2HB LEU 56 6.634 -0.770 0.921 451 HG LEU 56 HG LEU 56 9.618 -0.210 1.114 452 1HD1 LEU 56 2HD1 LEU 56 9.005 -2.679 0.510 453 2HD1 LEU 56 3HD1 LEU 56 8.164 -2.082 -0.922 454 3HD1 LEU 56 1HD1 LEU 56 9.924 -1.869 -0.771 455 1HD2 LEU 56 3HD2 LEU 56 7.645 0.553 -1.072 456 2HD2 LEU 56 1HD2 LEU 56 8.750 1.589 -0.127 457 3HD2 LEU 56 2HD2 LEU 56 9.415 0.511 -1.354 458 H THR 57 H THR 57 9.484 -0.587 3.384 459 HA THR 57 HA THR 57 10.640 1.877 4.681 460 HB THR 57 HB THR 57 11.653 0.124 6.300 461 HG1 THR 57 HG1 THR 57 9.318 -1.230 5.518 462 1HG2 THR 57 3HG2 THR 57 8.796 1.017 6.740 463 2HG2 THR 57 1HG2 THR 57 9.905 0.334 7.982 464 3HG2 THR 57 2HG2 THR 57 10.310 1.869 7.187 465 HA PRO 58 HA PRO 58 14.854 0.762 3.077 466 1HB PRO 58 1HB PRO 58 15.278 1.246 5.970 467 2HB PRO 58 2HB PRO 58 16.391 1.557 4.651 468 1HG PRO 58 1HG PRO 58 14.890 3.622 5.379 469 2HG PRO 58 2HG PRO 58 14.756 3.243 3.662 470 1HD PRO 58 1HD PRO 58 12.764 2.459 5.899 471 2HD PRO 58 2HD PRO 58 12.416 3.039 4.299 472 H TYR 59 H TYR 59 13.835 -0.562 6.106 473 HA TYR 59 HA TYR 59 15.655 -3.016 5.986 474 1HB TYR 59 1HB TYR 59 15.034 -1.478 8.117 475 2HB TYR 59 2HB TYR 59 13.604 -2.398 8.216 476 HD1 TYR 59 HD2 TYR 59 17.309 -2.544 8.517 477 HD2 TYR 59 HD1 TYR 59 13.672 -4.806 8.918 478 HE1 TYR 59 HE2 TYR 59 18.515 -4.281 9.789 479 HE2 TYR 59 HE1 TYR 59 14.891 -6.528 10.182 480 HH TYR 59 HH TYR 59 16.859 -7.179 10.981 481 H ASP 60 H ASP 60 12.195 -2.495 6.225 482 HA ASP 60 HA ASP 60 11.672 -5.520 5.917 483 1HB ASP 60 1HB ASP 60 11.022 -4.246 8.074 484 2HB ASP 60 2HB ASP 60 9.787 -3.417 7.137 485 HD1 ASP 60 HD2 ASP 60 9.392 -7.303 7.997 486 H LEU 61 H LEU 61 12.168 -4.880 3.604 487 HA LEU 61 HA LEU 61 10.279 -3.740 1.907 488 1HB LEU 61 1HB LEU 61 12.332 -5.987 1.425 489 2HB LEU 61 2HB LEU 61 11.366 -5.338 0.128 490 HG LEU 61 HG LEU 61 12.247 -3.021 0.504 491 1HD1 LEU 61 3HD1 LEU 61 14.198 -4.363 2.518 492 2HD1 LEU 61 1HD1 LEU 61 14.420 -2.753 1.797 493 3HD1 LEU 61 2HD1 LEU 61 13.054 -3.040 2.860 494 1HD2 LEU 61 3HD2 LEU 61 13.216 -4.607 -1.185 495 2HD2 LEU 61 1HD2 LEU 61 14.475 -3.546 -0.511 496 3HD2 LEU 61 2HD2 LEU 61 14.351 -5.238 0.039 497 H SER 62 H SER 62 9.673 -6.891 3.225 498 HA SER 62 HA SER 62 7.701 -7.723 1.128 499 1HB SER 62 1HB SER 62 8.974 -9.320 2.612 500 2HB SER 62 2HB SER 62 8.078 -8.731 4.020 501 HG SER 62 HG SER 62 6.136 -9.282 2.596 502 H LYS 63 H LYS 63 7.258 -5.125 3.214 503 HA LYS 63 HA LYS 63 4.243 -5.585 3.391 504 1HB LYS 63 1HB LYS 63 6.299 -4.537 5.386 505 2HB LYS 63 2HB LYS 63 4.685 -4.001 5.491 506 1HG LYS 63 1HG LYS 63 5.187 -7.014 5.323 507 2HG LYS 63 2HG LYS 63 5.435 -6.151 6.798 508 1HD LYS 63 2HD LYS 63 2.776 -6.133 5.267 509 2HD LYS 63 1HD LYS 63 3.129 -7.275 6.534 510 1HE LYS 63 1HE LYS 63 2.943 -4.199 6.923 511 2HE LYS 63 2HE LYS 63 1.653 -5.346 7.245 512 1HZ LYS 63 1HZ LYS 63 4.312 -5.394 8.581 513 2HZ LYS 63 2HZ LYS 63 3.113 -6.456 8.872 514 H GLY 64 H GLY 64 3.209 -3.408 4.040 515 1HA GLY 64 1HA GLY 64 4.106 -0.957 2.506 516 2HA GLY 64 2HA GLY 64 2.935 -1.899 1.695 517 H ARG 65 H ARG 65 2.777 0.817 2.490 518 HA ARG 65 HA ARG 65 -0.128 0.433 3.166 519 1HB ARG 65 1HB ARG 65 -0.300 2.188 4.791 520 2HB ARG 65 2HB ARG 65 0.968 1.070 5.266 521 1HG ARG 65 2HG ARG 65 2.752 2.696 4.755 522 2HG ARG 65 1HG ARG 65 1.609 3.784 3.996 523 1HD ARG 65 1HD ARG 65 0.373 4.077 6.195 524 2HD ARG 65 2HD ARG 65 1.677 3.163 6.998 525 1HH1 ARG 65 2HH2 ARG 65 0.665 5.432 7.863 526 2HH1 ARG 65 1HH2 ARG 65 1.264 7.134 8.244 527 1HH2 ARG 65 1HH1 ARG 65 3.665 6.815 5.866 528 2HH2 ARG 65 2HH1 ARG 65 2.915 7.895 7.172 529 H ILE 66 H ILE 66 -0.563 1.314 0.634 530 HA ILE 66 HA ILE 66 -0.552 3.353 -0.535 531 HB ILE 66 HB ILE 66 -3.410 2.874 0.343 532 1HG1 ILE 66 1HG1 ILE 66 -3.525 1.704 -1.953 533 2HG1 ILE 66 2HG1 ILE 66 -1.765 1.798 -2.015 534 1HG2 ILE 66 2HG2 ILE 66 -3.243 5.079 -0.859 535 2HG2 ILE 66 3HG2 ILE 66 -2.398 4.298 -2.212 536 3HG2 ILE 66 1HG2 ILE 66 -4.096 3.899 -1.835 537 1HD1 ILE 66 1HD1 ILE 66 -3.356 0.480 0.278 538 2HD1 ILE 66 2HD1 ILE 66 -2.809 -0.412 -1.198 539 3HD1 ILE 66 3HD1 ILE 66 -1.662 0.201 -0.034 540 H VAL 67 H VAL 67 0.379 5.119 0.044 541 HA VAL 67 HA VAL 67 -0.949 7.209 1.782 542 HB VAL 67 HB VAL 67 1.155 8.431 1.414 543 1HG1 VAL 67 3HG2 VAL 67 0.808 6.965 3.489 544 2HG1 VAL 67 1HG2 VAL 67 1.691 5.676 2.675 545 3HG1 VAL 67 2HG2 VAL 67 2.521 7.191 3.069 546 1HG2 VAL 67 2HG1 VAL 67 2.091 7.469 -0.666 547 2HG2 VAL 67 3HG1 VAL 67 3.261 7.391 0.661 548 3HG2 VAL 67 1HG1 VAL 67 2.389 5.922 0.152 549 H PHE 68 H PHE 68 -0.009 6.726 -1.581 550 HA PHE 68 HA PHE 68 -0.508 7.826 -3.571 551 1HB PHE 68 1HB PHE 68 -2.655 6.566 -2.467 552 2HB PHE 68 2HB PHE 68 -3.373 8.119 -2.534 553 HD1 PHE 68 HD1 PHE 68 -1.771 5.394 -4.527 554 HD2 PHE 68 HD2 PHE 68 -4.143 8.976 -4.754 555 HE1 PHE 68 HE1 PHE 68 -2.383 4.853 -6.853 556 HE2 PHE 68 HE2 PHE 68 -4.747 8.420 -7.071 557 HZ PHE 68 HZ PHE 68 -3.875 6.353 -8.121 558 H ARG 69 H ARG 69 -2.743 9.955 -1.827 559 HA ARG 69 HA ARG 69 -1.229 12.381 -2.887 560 1HB ARG 69 1HB ARG 69 -3.208 13.272 -4.039 561 2HB ARG 69 2HB ARG 69 -2.850 11.686 -4.681 562 1HG ARG 69 1HG ARG 69 -4.746 10.679 -3.311 563 2HG ARG 69 2HG ARG 69 -5.051 12.230 -2.557 564 1HD ARG 69 1HD ARG 69 -5.689 13.227 -4.811 565 2HD ARG 69 2HD ARG 69 -5.313 11.695 -5.586 566 1HH1 ARG 69 2HH2 ARG 69 -6.795 13.613 -2.947 567 2HH1 ARG 69 1HH2 ARG 69 -8.488 13.519 -2.211 568 1HH2 ARG 69 1HH1 ARG 69 -9.158 10.778 -4.085 569 2HH2 ARG 69 2HH1 ARG 69 -9.776 11.999 -2.840 570 H SER 70 H SER 70 -1.625 11.539 -0.177 571 HA SER 70 HA SER 70 -2.398 14.207 0.961 572 1HB SER 70 1HB SER 70 -4.656 13.123 0.669 573 2HB SER 70 2HB SER 70 -4.198 11.844 1.787 574 HG SER 70 HG SER 70 -4.057 13.415 3.459 575 H ARG 71 H ARG 71 -2.501 11.198 2.811 576 HA ARG 71 HA ARG 71 0.069 12.006 4.278 577 1HB ARG 71 2HB ARG 71 -2.695 10.881 5.129 578 2HB ARG 71 1HB ARG 71 -1.340 10.858 6.194 579 1HG ARG 71 1HG ARG 71 -1.271 13.205 6.517 580 2HG ARG 71 2HG ARG 71 -1.975 13.593 4.973 581 1HD ARG 71 1HD ARG 71 -3.589 12.326 7.274 582 2HD ARG 71 2HD ARG 71 -3.480 14.062 6.950 583 1HH1 ARG 71 2HH2 ARG 71 -5.641 13.346 7.609 584 2HH1 ARG 71 1HH2 ARG 71 -7.353 13.287 6.928 585 1HH2 ARG 71 1HH1 ARG 71 -6.140 12.834 3.807 586 2HH2 ARG 71 2HH1 ARG 71 -7.626 12.997 4.908 No H/Q in entry = 586 Start of MODEL 16 1 1H ALA 1 1H ALA 1 19.553 1.282 4.859 2 2H ALA 1 2H ALA 1 20.549 2.554 5.070 3 HA ALA 1 HA ALA 1 18.815 3.903 6.040 4 1HB ALA 1 2HB ALA 1 18.243 2.618 3.288 5 2HB ALA 1 3HB ALA 1 17.574 4.162 3.855 6 3HB ALA 1 1HB ALA 1 19.324 4.000 3.616 7 H LYS 2 H LYS 2 18.072 2.614 7.870 8 HA LYS 2 HA LYS 2 15.740 0.797 7.641 9 1HB LYS 2 1HB LYS 2 17.541 0.675 9.357 10 2HB LYS 2 2HB LYS 2 16.976 2.168 10.096 11 1HG LYS 2 1HG LYS 2 14.781 1.054 10.680 12 2HG LYS 2 2HG LYS 2 15.288 -0.415 9.834 13 1HD LYS 2 1HD LYS 2 17.289 -0.608 11.406 14 2HD LYS 2 2HD LYS 2 16.735 0.829 12.273 15 1HE LYS 2 1HE LYS 2 14.566 -0.357 12.869 16 2HE LYS 2 2HE LYS 2 15.105 -1.794 11.978 17 1HZ LYS 2 1HZ LYS 2 17.126 -1.771 13.468 18 2HZ LYS 2 2HZ LYS 2 15.726 -2.109 14.247 19 H GLU 3 H GLU 3 15.465 3.664 9.694 20 HA GLU 3 HA GLU 3 12.648 4.107 8.842 21 1HB GLU 3 1HB GLU 3 12.539 5.728 10.579 22 2HB GLU 3 2HB GLU 3 13.375 4.318 11.183 23 1HG GLU 3 1HG GLU 3 14.756 6.973 10.354 24 2HG GLU 3 2HG GLU 3 14.259 6.582 11.982 25 HE2 GLU 3 HE2 GLU 3 17.774 6.043 11.687 26 H ASP 4 H ASP 4 14.193 4.448 6.604 27 HA ASP 4 HA ASP 4 13.739 7.383 5.728 28 1HB ASP 4 1HB ASP 4 15.375 4.978 4.792 29 2HB ASP 4 2HB ASP 4 15.386 6.484 3.906 30 HD1 ASP 4 HD2 ASP 4 17.383 8.226 6.115 31 H ASN 5 H ASN 5 11.844 5.472 5.888 32 HA ASN 5 HA ASN 5 10.722 4.030 4.092 33 1HB ASN 5 1HB ASN 5 9.034 6.258 5.413 34 2HB ASN 5 2HB ASN 5 8.313 4.892 4.602 35 1HD2 ASN 5 1HD2 ASN 5 8.394 3.124 7.656 36 2HD2 ASN 5 2HD2 ASN 5 7.569 3.498 6.057 37 H ILE 6 H ILE 6 10.253 3.811 1.929 38 HA ILE 6 HA ILE 6 9.777 6.234 0.218 39 HB ILE 6 HB ILE 6 10.085 3.423 -0.919 40 1HG1 ILE 6 1HG1 ILE 6 12.469 4.807 0.317 41 2HG1 ILE 6 2HG1 ILE 6 11.718 3.299 0.673 42 1HG2 ILE 6 1HG2 ILE 6 9.741 5.454 -2.469 43 2HG2 ILE 6 2HG2 ILE 6 11.265 6.147 -1.857 44 3HG2 ILE 6 3HG2 ILE 6 11.255 4.633 -2.787 45 1HD1 ILE 6 3HD1 ILE 6 12.344 2.276 -1.544 46 2HD1 ILE 6 1HD1 ILE 6 13.221 3.767 -1.976 47 3HD1 ILE 6 2HD1 ILE 6 13.768 2.775 -0.614 48 H GLU 7 H GLU 7 8.200 6.119 -1.345 49 HA GLU 7 HA GLU 7 5.947 4.172 -0.993 50 1HB GLU 7 1HB GLU 7 4.184 5.730 -1.856 51 2HB GLU 7 2HB GLU 7 4.817 5.994 -0.241 52 1HG GLU 7 1HG GLU 7 6.225 7.761 -0.935 53 2HG GLU 7 2HG GLU 7 6.053 7.421 -2.630 54 HE2 GLU 7 HE2 GLU 7 3.850 10.203 -1.136 55 H MET 8 H MET 8 5.435 3.084 -2.276 56 HA MET 8 HA MET 8 6.994 3.136 -5.017 57 1HB MET 8 1HB MET 8 8.339 2.769 -2.865 58 2HB MET 8 2HB MET 8 7.308 1.401 -2.441 59 1HG MET 8 1HG MET 8 8.394 0.025 -3.864 60 2HG MET 8 2HG MET 8 8.732 1.303 -5.054 61 1HE MET 8 1HE MET 8 11.135 0.232 -5.385 62 2HE MET 8 3HE MET 8 12.312 -0.027 -4.063 63 3HE MET 8 2HE MET 8 10.817 -1.008 -4.132 64 H GLN 9 H GLN 9 4.189 1.857 -3.781 65 HA GLN 9 HA GLN 9 4.335 -0.652 -5.120 66 1HB GLN 9 1HB GLN 9 3.056 0.321 -2.956 67 2HB GLN 9 2HB GLN 9 1.799 -0.403 -3.887 68 1HG GLN 9 1HG GLN 9 2.521 -2.087 -2.420 69 2HG GLN 9 2HG GLN 9 3.526 -2.536 -3.764 70 1HE2 GLN 9 2HE2 GLN 9 6.432 -1.182 -1.790 71 2HE2 GLN 9 1HE2 GLN 9 5.859 -1.229 -3.544 72 H GLY 10 H GLY 10 1.614 -1.208 -5.645 73 1HA GLY 10 2HA GLY 10 1.861 -0.751 -8.687 74 2HA GLY 10 1HA GLY 10 2.113 -2.344 -7.984 75 H THR 11 H THR 11 0.511 -3.739 -8.069 76 HA THR 11 HA THR 11 -2.252 -2.684 -8.940 77 HB THR 11 HB THR 11 -1.064 -5.521 -9.465 78 HG1 THR 11 HG1 THR 11 -1.345 -3.399 -11.339 79 1HG2 THR 11 3HG2 THR 11 -3.460 -4.019 -10.774 80 2HG2 THR 11 1HG2 THR 11 -2.834 -5.619 -11.247 81 3HG2 THR 11 2HG2 THR 11 -3.569 -5.397 -9.650 82 H VAL 12 H VAL 12 -3.875 -3.033 -7.563 83 HA VAL 12 HA VAL 12 -3.563 -4.340 -4.978 84 HB VAL 12 HB VAL 12 -6.227 -4.124 -6.505 85 1HG1 VAL 12 1HG2 VAL 12 -5.550 -5.012 -3.636 86 2HG1 VAL 12 2HG2 VAL 12 -7.162 -4.416 -4.074 87 3HG1 VAL 12 3HG2 VAL 12 -6.525 -5.870 -4.835 88 1HG2 VAL 12 1HG1 VAL 12 -5.279 -2.259 -4.282 89 2HG2 VAL 12 2HG1 VAL 12 -5.656 -1.826 -5.974 90 3HG2 VAL 12 3HG1 VAL 12 -6.924 -2.412 -4.919 91 H LEU 13 H LEU 13 -3.067 -6.852 -5.252 92 HA LEU 13 HA LEU 13 -4.707 -8.417 -7.330 93 1HB LEU 13 1HB LEU 13 -2.230 -9.367 -5.848 94 2HB LEU 13 2HB LEU 13 -3.205 -10.322 -6.952 95 HG LEU 13 HG LEU 13 -1.608 -7.782 -7.665 96 1HD1 LEU 13 2HD1 LEU 13 -0.318 -9.955 -7.397 97 2HD1 LEU 13 3HD1 LEU 13 -1.311 -10.683 -8.686 98 3HD1 LEU 13 1HD1 LEU 13 -0.258 -9.296 -9.052 99 1HD2 LEU 13 2HD2 LEU 13 -3.402 -9.462 -9.562 100 2HD2 LEU 13 3HD2 LEU 13 -3.622 -7.747 -9.139 101 3HD2 LEU 13 1HD2 LEU 13 -2.222 -8.236 -10.093 102 H GLU 14 H GLU 14 -4.319 -8.417 -3.812 103 HA GLU 14 HA GLU 14 -7.261 -9.361 -3.870 104 1HB GLU 14 1HB GLU 14 -5.930 -11.129 -2.945 105 2HB GLU 14 2HB GLU 14 -5.128 -10.032 -1.816 106 1HG GLU 14 2HG GLU 14 -6.602 -11.301 -0.589 107 2HG GLU 14 1HG GLU 14 -7.232 -9.711 -0.529 108 HE2 GLU 14 HE2 GLU 14 -9.682 -12.492 -1.357 109 H THR 15 H THR 15 -8.378 -8.609 -2.189 110 HA THR 15 HA THR 15 -7.916 -5.704 -1.075 111 HB THR 15 HB THR 15 -10.403 -5.309 -1.108 112 HG1 THR 15 HG1 THR 15 -10.929 -7.504 -1.786 113 1HG2 THR 15 2HG2 THR 15 -8.757 -4.166 -2.626 114 2HG2 THR 15 3HG2 THR 15 -9.026 -5.425 -3.850 115 3HG2 THR 15 1HG2 THR 15 -10.355 -4.328 -3.387 116 H LEU 16 H LEU 16 -7.397 -6.547 0.792 117 HA LEU 16 HA LEU 16 -8.281 -9.235 1.689 118 1HB LEU 16 1HB LEU 16 -6.080 -7.145 2.119 119 2HB LEU 16 2HB LEU 16 -6.385 -8.118 3.464 120 HG LEU 16 HG LEU 16 -5.633 -9.242 0.797 121 1HD1 LEU 16 2HD1 LEU 16 -3.854 -7.987 1.818 122 2HD1 LEU 16 3HD1 LEU 16 -4.042 -8.853 3.370 123 3HD1 LEU 16 1HD1 LEU 16 -3.475 -9.718 1.911 124 1HD2 LEU 16 2HD2 LEU 16 -5.984 -10.797 3.433 125 2HD2 LEU 16 3HD2 LEU 16 -6.968 -10.992 1.950 126 3HD2 LEU 16 1HD2 LEU 16 -5.256 -11.418 1.923 127 HA PRO 17 HA PRO 17 -11.140 -8.841 5.039 128 1HB PRO 17 1HB PRO 17 -10.169 -8.485 7.614 129 2HB PRO 17 2HB PRO 17 -9.821 -9.927 6.632 130 1HG PRO 17 1HG PRO 17 -8.245 -7.370 7.170 131 2HG PRO 17 2HG PRO 17 -7.743 -9.049 7.476 132 1HD PRO 17 1HD PRO 17 -7.206 -7.792 5.314 133 2HD PRO 17 2HD PRO 17 -7.638 -9.556 5.166 134 H ASN 18 H ASN 18 -9.783 -6.167 7.026 135 HA ASN 18 HA ASN 18 -12.183 -4.567 6.984 136 1HB ASN 18 1HB ASN 18 -9.361 -3.810 7.608 137 2HB ASN 18 2HB ASN 18 -10.736 -2.782 7.874 138 1HD2 ASN 18 1HD2 ASN 18 -10.158 -4.163 11.081 139 2HD2 ASN 18 2HD2 ASN 18 -9.968 -2.687 10.009 140 H THR 19 H THR 19 -9.317 -3.233 5.493 141 HA THR 19 HA THR 19 -10.312 -3.225 2.652 142 HB THR 19 HB THR 19 -10.383 -0.819 4.359 143 HG1 THR 19 HG1 THR 19 -12.223 -2.209 3.722 144 1HG2 THR 19 3HG2 THR 19 -10.320 -0.840 1.229 145 2HG2 THR 19 1HG2 THR 19 -10.712 0.590 2.210 146 3HG2 THR 19 2HG2 THR 19 -9.070 -0.086 2.252 147 H MET 20 H MET 20 -8.265 -4.636 3.409 148 HA MET 20 HA MET 20 -5.851 -3.144 2.750 149 1HB MET 20 1HB MET 20 -6.669 -5.941 3.884 150 2HB MET 20 2HB MET 20 -4.974 -5.532 3.624 151 1HG MET 20 1HG MET 20 -5.184 -3.647 5.164 152 2HG MET 20 2HG MET 20 -6.872 -3.896 5.400 153 1HE MET 20 2HE MET 20 -6.373 -3.886 7.988 154 2HE MET 20 1HE MET 20 -5.346 -5.073 8.846 155 3HE MET 20 3HE MET 20 -4.591 -3.832 7.810 156 H PHE 21 H PHE 21 -4.135 -4.439 1.652 157 HA PHE 21 HA PHE 21 -5.151 -5.002 -1.293 158 1HB PHE 21 1HB PHE 21 -2.854 -3.122 -0.635 159 2HB PHE 21 2HB PHE 21 -3.675 -3.664 -2.142 160 HD1 PHE 21 HD2 PHE 21 -5.917 -3.238 -2.514 161 HD2 PHE 21 HD1 PHE 21 -4.093 -1.848 0.866 162 HE1 PHE 21 HE2 PHE 21 -8.204 -2.301 -1.653 163 HE2 PHE 21 HE1 PHE 21 -6.443 -1.378 1.660 164 HZ PHE 21 HZ PHE 21 -8.242 -0.851 0.095 165 H ARG 22 H ARG 22 -4.215 -7.196 -1.568 166 HA ARG 22 HA ARG 22 -1.392 -7.838 -0.544 167 1HB ARG 22 1HB ARG 22 -3.178 -9.666 -0.386 168 2HB ARG 22 2HB ARG 22 -3.017 -9.706 -2.138 169 1HG ARG 22 2HG ARG 22 -1.424 -11.235 -1.618 170 2HG ARG 22 1HG ARG 22 -0.407 -9.859 -1.759 171 1HD ARG 22 1HD ARG 22 -0.951 -9.696 0.974 172 2HD ARG 22 2HD ARG 22 -1.198 -11.431 0.744 173 1HH1 ARG 22 2HH2 ARG 22 0.066 -12.217 2.065 174 2HH1 ARG 22 1HH2 ARG 22 1.766 -12.794 2.485 175 1HH2 ARG 22 1HH1 ARG 22 3.088 -10.795 0.093 176 2HH2 ARG 22 2HH1 ARG 22 3.394 -12.042 1.418 177 H VAL 23 H VAL 23 -0.221 -6.526 -1.685 178 HA VAL 23 HA VAL 23 -1.007 -5.826 -4.548 179 HB VAL 23 HB VAL 23 1.137 -4.238 -3.112 180 1HG1 VAL 23 3HG2 VAL 23 0.527 -3.634 -5.525 181 2HG1 VAL 23 1HG2 VAL 23 -1.130 -3.336 -4.976 182 3HG1 VAL 23 2HG2 VAL 23 0.201 -2.334 -4.358 183 1HG2 VAL 23 1HG1 VAL 23 -1.861 -4.088 -2.737 184 2HG2 VAL 23 2HG1 VAL 23 -0.679 -4.162 -1.416 185 3HG2 VAL 23 3HG1 VAL 23 -0.912 -2.652 -2.337 186 H GLU 24 H GLU 24 0.185 -5.950 -6.177 187 HA GLU 24 HA GLU 24 2.957 -7.336 -6.054 188 1HB GLU 24 1HB GLU 24 1.341 -8.572 -7.420 189 2HB GLU 24 2HB GLU 24 1.082 -7.182 -8.485 190 1HG GLU 24 1HG GLU 24 3.546 -7.301 -9.164 191 2HG GLU 24 2HG GLU 24 3.803 -8.638 -8.048 192 HE2 GLU 24 HE2 GLU 24 2.479 -9.334 -11.646 193 H LEU 25 H LEU 25 4.435 -5.605 -5.784 194 HA LEU 25 HA LEU 25 4.229 -3.072 -6.244 195 1HB LEU 25 1HB LEU 25 6.236 -5.397 -5.937 196 2HB LEU 25 2HB LEU 25 6.942 -4.308 -6.899 197 HG LEU 25 HG LEU 25 5.586 -3.300 -4.395 198 1HD1 LEU 25 2HD1 LEU 25 6.868 -5.269 -3.634 199 2HD1 LEU 25 3HD1 LEU 25 8.363 -4.598 -4.365 200 3HD1 LEU 25 1HD1 LEU 25 7.565 -3.748 -3.018 201 1HD2 LEU 25 2HD2 LEU 25 8.148 -2.685 -6.046 202 2HD2 LEU 25 3HD2 LEU 25 6.686 -1.658 -5.891 203 3HD2 LEU 25 1HD2 LEU 25 7.793 -1.874 -4.502 204 H GLU 26 H GLU 26 6.106 -2.048 -7.271 205 HA GLU 26 HA GLU 26 5.644 -1.802 -10.291 206 1HB GLU 26 1HB GLU 26 6.772 0.301 -10.335 207 2HB GLU 26 2HB GLU 26 5.677 0.335 -8.985 208 1HG GLU 26 1HG GLU 26 7.574 1.413 -8.110 209 2HG GLU 26 2HG GLU 26 7.754 -0.192 -7.443 210 HE1 GLU 26 HE2 GLU 26 10.262 1.003 -10.339 211 H ASN 27 H ASN 27 8.012 -3.237 -8.144 212 HA ASN 27 HA ASN 27 9.799 -3.925 -10.494 213 1HB ASN 27 2HB ASN 27 11.357 -4.539 -8.810 214 2HB ASN 27 1HB ASN 27 10.817 -2.927 -8.421 215 1HD2 ASN 27 1HD2 ASN 27 11.134 -4.577 -5.274 216 2HD2 ASN 27 2HD2 ASN 27 12.068 -3.660 -6.557 217 H GLY 28 H GLY 28 6.929 -5.057 -9.432 218 1HA GLY 28 2HA GLY 28 5.869 -7.155 -9.811 219 2HA GLY 28 1HA GLY 28 7.404 -7.831 -10.245 220 H HIS 29 H HIS 29 7.442 -6.512 -7.003 221 HA HIS 29 HA HIS 29 7.328 -9.390 -5.929 222 1HB HIS 29 1HB HIS 29 9.327 -8.224 -5.424 223 2HB HIS 29 2HB HIS 29 8.481 -6.816 -4.802 224 HD2 HIS 29 HD2 HIS 29 8.323 -6.657 -2.261 225 HE1 HIS 29 HE1 HIS 29 8.389 -10.688 -1.219 226 HE2 HIS 29 HE2 HIS 29 8.210 -8.310 -0.205 227 H VAL 30 H VAL 30 6.061 -10.028 -4.262 228 HA VAL 30 HA VAL 30 3.379 -8.591 -4.120 229 HB VAL 30 HB VAL 30 4.124 -11.544 -3.959 230 1HG1 VAL 30 1HG2 VAL 30 1.413 -10.397 -3.052 231 2HG1 VAL 30 2HG2 VAL 30 1.747 -12.120 -3.403 232 3HG1 VAL 30 3HG2 VAL 30 2.563 -11.314 -2.056 233 1HG2 VAL 30 2HG1 VAL 30 3.539 -10.461 -6.201 234 2HG2 VAL 30 3HG1 VAL 30 2.345 -11.695 -5.743 235 3HG2 VAL 30 1HG1 VAL 30 1.965 -9.964 -5.543 236 H VAL 31 H VAL 31 2.875 -7.578 -2.512 237 HA VAL 31 HA VAL 31 3.924 -8.167 0.341 238 HB VAL 31 HB VAL 31 3.911 -5.671 0.796 239 1HG1 VAL 31 3HG2 VAL 31 6.018 -6.896 0.374 240 2HG1 VAL 31 1HG2 VAL 31 5.941 -6.448 -1.344 241 3HG1 VAL 31 2HG2 VAL 31 6.093 -5.185 -0.083 242 1HG2 VAL 31 2HG1 VAL 31 2.487 -4.856 -1.134 243 2HG2 VAL 31 3HG1 VAL 31 4.043 -4.017 -0.982 244 3HG2 VAL 31 1HG1 VAL 31 3.814 -5.243 -2.257 245 H THR 32 H THR 32 2.763 -7.442 2.090 246 HA THR 32 HA THR 32 -0.295 -7.398 1.726 247 HB THR 32 HB THR 32 1.516 -7.984 4.147 248 HG1 THR 32 HG1 THR 32 0.839 -9.541 2.362 249 1HG2 THR 32 3HG2 THR 32 -1.581 -7.830 4.134 250 2HG2 THR 32 1HG2 THR 32 -0.583 -8.531 5.445 251 3HG2 THR 32 2HG2 THR 32 -0.482 -6.802 5.078 252 H ALA 33 H ALA 33 -1.061 -5.225 1.573 253 HA ALA 33 HA ALA 33 -0.197 -3.326 3.808 254 1HB ALA 33 3HB ALA 33 -1.020 -2.966 0.841 255 2HB ALA 33 1HB ALA 33 -0.535 -1.691 1.984 256 3HB ALA 33 2HB ALA 33 0.640 -2.944 1.524 257 H HIS 34 H HIS 34 -1.458 -1.780 4.551 258 HA HIS 34 HA HIS 34 -4.497 -1.873 4.045 259 1HB HIS 34 1HB HIS 34 -4.564 -0.228 6.136 260 2HB HIS 34 2HB HIS 34 -4.572 -1.917 6.365 261 HD2 HIS 34 HD2 HIS 34 -2.356 1.222 6.793 262 HE1 HIS 34 HE1 HIS 34 -0.216 -1.835 8.634 263 HE2 HIS 34 HE2 HIS 34 -0.135 0.686 8.116 264 H ILE 35 H ILE 35 -5.472 0.387 4.209 265 HA ILE 35 HA ILE 35 -3.810 2.359 2.663 266 HB ILE 35 HB ILE 35 -5.708 3.441 2.355 267 1HG1 ILE 35 1HG1 ILE 35 -8.066 2.473 3.723 268 2HG1 ILE 35 2HG1 ILE 35 -6.839 2.599 4.951 269 1HG2 ILE 35 2HG2 ILE 35 -5.883 1.431 1.015 270 2HG2 ILE 35 3HG2 ILE 35 -6.944 0.714 2.259 271 3HG2 ILE 35 1HG2 ILE 35 -7.492 2.111 1.340 272 1HD1 ILE 35 2HD1 ILE 35 -6.375 5.056 4.081 273 2HD1 ILE 35 3HD1 ILE 35 -7.787 4.831 3.026 274 3HD1 ILE 35 1HD1 ILE 35 -7.967 4.794 4.803 275 H SER 36 H SER 36 -3.552 4.615 3.564 276 HA SER 36 HA SER 36 -2.569 4.594 6.378 277 1HB SER 36 1HB SER 36 -1.658 6.780 5.699 278 2HB SER 36 2HB SER 36 -1.304 5.576 4.486 279 HG SER 36 HG SER 36 -2.845 6.436 3.158 280 H GLY 37 H GLY 37 -5.440 4.486 6.310 281 1HA GLY 37 1HA GLY 37 -7.274 5.391 7.711 282 2HA GLY 37 2HA GLY 37 -6.083 6.381 8.528 283 H LYS 38 H LYS 38 -5.238 8.001 6.544 284 HA LYS 38 HA LYS 38 -7.007 10.216 6.391 285 1HB LYS 38 2HB LYS 38 -4.638 9.641 4.596 286 2HB LYS 38 1HB LYS 38 -5.354 11.188 4.985 287 1HG LYS 38 2HG LYS 38 -3.692 9.366 6.817 288 2HG LYS 38 1HG LYS 38 -3.398 10.996 6.209 289 1HD LYS 38 1HD LYS 38 -5.234 11.964 7.604 290 2HD LYS 38 2HD LYS 38 -5.567 10.364 8.275 291 1HE LYS 38 1HE LYS 38 -3.210 10.252 9.227 292 2HE LYS 38 2HE LYS 38 -2.862 11.856 8.563 293 1HZ LYS 38 1HZ LYS 38 -5.061 11.257 10.494 294 2HZ LYS 38 2HZ LYS 38 -4.737 12.733 9.885 295 H MET 39 H MET 39 -6.299 7.985 3.731 296 HA MET 39 HA MET 39 -8.208 9.319 1.895 297 1HB MET 39 1HB MET 39 -7.723 6.869 0.702 298 2HB MET 39 2HB MET 39 -7.014 8.406 0.307 299 1HG MET 39 2HG MET 39 -5.053 7.876 1.578 300 2HG MET 39 1HG MET 39 -5.778 6.344 2.070 301 1HE MET 39 1HE MET 39 -4.717 8.608 -0.922 302 2HE MET 39 3HE MET 39 -4.357 7.449 -2.232 303 3HE MET 39 2HE MET 39 -6.046 7.887 -1.857 304 H ARG 40 H ARG 40 -8.833 6.585 4.050 305 HA ARG 40 HA ARG 40 -11.113 5.397 3.102 306 1HB ARG 40 1HB ARG 40 -10.293 6.523 5.775 307 2HB ARG 40 2HB ARG 40 -11.943 6.127 5.698 308 1HG ARG 40 2HG ARG 40 -9.994 3.966 4.697 309 2HG ARG 40 1HG ARG 40 -10.249 4.262 6.387 310 1HD ARG 40 1HD ARG 40 -12.865 4.027 5.821 311 2HD ARG 40 2HD ARG 40 -12.323 3.480 4.233 312 1HH1 ARG 40 2HH2 ARG 40 -13.321 1.847 3.970 313 2HH1 ARG 40 1HH2 ARG 40 -13.645 0.074 4.313 314 1HH2 ARG 40 1HH1 ARG 40 -11.629 0.202 7.016 315 2HH2 ARG 40 2HH1 ARG 40 -12.791 -0.806 5.973 316 H LYS 41 H LYS 41 -10.962 8.740 3.998 317 HA LYS 41 HA LYS 41 -13.935 9.246 3.636 318 1HB LYS 41 1HB LYS 41 -11.565 11.125 4.486 319 2HB LYS 41 2HB LYS 41 -13.213 11.596 4.444 320 1HG LYS 41 1HG LYS 41 -13.153 11.264 6.696 321 2HG LYS 41 2HG LYS 41 -13.613 9.639 6.246 322 1HD LYS 41 1HD LYS 41 -11.869 9.407 7.856 323 2HD LYS 41 2HD LYS 41 -11.110 8.974 6.335 324 1HE LYS 41 1HE LYS 41 -10.048 11.287 6.190 325 2HE LYS 41 2HE LYS 41 -10.865 11.765 7.684 326 1HZ LYS 41 1HZ LYS 41 -8.989 9.456 7.436 327 2HZ LYS 41 2HZ LYS 41 -9.715 9.914 8.813 328 H ASN 42 H ASN 42 -11.691 9.140 1.682 329 HA ASN 42 HA ASN 42 -12.682 11.207 -0.388 330 1HB ASN 42 1HB ASN 42 -10.223 11.515 0.057 331 2HB ASN 42 2HB ASN 42 -9.926 9.811 -0.285 332 1HD2 ASN 42 1HD2 ASN 42 -8.961 11.448 -3.279 333 2HD2 ASN 42 2HD2 ASN 42 -8.370 10.835 -1.654 334 H TYR 43 H TYR 43 -11.076 8.015 -0.646 335 HA TYR 43 HA TYR 43 -13.572 6.811 -1.847 336 1HB TYR 43 1HB TYR 43 -12.156 5.257 -2.813 337 2HB TYR 43 2HB TYR 43 -11.428 6.775 -3.147 338 HD1 TYR 43 HD2 TYR 43 -11.159 3.769 -0.837 339 HD2 TYR 43 HD1 TYR 43 -9.024 6.879 -2.892 340 HE1 TYR 43 HE2 TYR 43 -9.069 2.729 -0.191 341 HE2 TYR 43 HE1 TYR 43 -6.904 5.751 -2.323 342 HH TYR 43 HH TYR 43 -6.842 2.812 -0.353 343 H ILE 44 H ILE 44 -14.744 5.943 0.079 344 HA ILE 44 HA ILE 44 -13.858 4.555 2.145 345 HB ILE 44 HB ILE 44 -16.163 3.540 0.568 346 1HG1 ILE 44 2HG1 ILE 44 -15.991 5.799 2.590 347 2HG1 ILE 44 1HG1 ILE 44 -16.434 5.961 0.918 348 1HG2 ILE 44 1HG2 ILE 44 -15.498 1.966 2.464 349 2HG2 ILE 44 2HG2 ILE 44 -15.633 3.312 3.617 350 3HG2 ILE 44 3HG2 ILE 44 -17.072 2.688 2.777 351 1HD1 ILE 44 1HD1 ILE 44 -18.596 4.666 1.299 352 2HD1 ILE 44 2HD1 ILE 44 -18.241 4.673 3.047 353 3HD1 ILE 44 3HD1 ILE 44 -18.486 6.204 2.188 354 H ARG 45 H ARG 45 -14.250 2.833 -0.907 355 HA ARG 45 HA ARG 45 -11.934 1.084 -0.214 356 1HB ARG 45 2HB ARG 45 -14.494 0.041 -1.513 357 2HB ARG 45 1HB ARG 45 -13.077 -0.939 -1.332 358 1HG ARG 45 1HG ARG 45 -13.141 -0.851 1.134 359 2HG ARG 45 2HG ARG 45 -14.620 0.089 1.107 360 1HD ARG 45 1HD ARG 45 -15.863 -1.727 -0.055 361 2HD ARG 45 2HD ARG 45 -14.416 -2.673 -0.321 362 1HH1 ARG 45 2HH2 ARG 45 -13.082 -3.679 0.821 363 2HH1 ARG 45 1HH2 ARG 45 -12.913 -4.903 2.196 364 1HH2 ARG 45 1HH1 ARG 45 -15.655 -3.635 3.702 365 2HH2 ARG 45 2HH1 ARG 45 -14.244 -4.833 3.776 366 H ILE 46 H ILE 46 -11.663 -0.349 -2.224 367 HA ILE 46 HA ILE 46 -11.385 0.946 -4.821 368 HB ILE 46 HB ILE 46 -8.930 0.641 -5.127 369 1HG1 ILE 46 1HG1 ILE 46 -8.039 1.792 -2.568 370 2HG1 ILE 46 2HG1 ILE 46 -8.887 0.324 -2.151 371 1HG2 ILE 46 2HG2 ILE 46 -9.995 2.767 -5.378 372 2HG2 ILE 46 3HG2 ILE 46 -9.903 3.065 -3.614 373 3HG2 ILE 46 1HG2 ILE 46 -8.404 2.956 -4.579 374 1HD1 ILE 46 2HD1 ILE 46 -6.799 0.448 -4.414 375 2HD1 ILE 46 3HD1 ILE 46 -6.435 0.039 -2.703 376 3HD1 ILE 46 1HD1 ILE 46 -7.576 -0.970 -3.651 377 H LEU 47 H LEU 47 -10.076 -0.645 -6.345 378 HA LEU 47 HA LEU 47 -11.974 -3.028 -6.023 379 1HB LEU 47 1HB LEU 47 -12.329 -1.332 -7.945 380 2HB LEU 47 2HB LEU 47 -10.786 -1.854 -8.593 381 HG LEU 47 HG LEU 47 -11.712 -4.188 -8.935 382 1HD1 LEU 47 1HD2 LEU 47 -14.406 -2.893 -8.086 383 2HD1 LEU 47 2HD2 LEU 47 -14.218 -4.497 -8.832 384 3HD1 LEU 47 3HD2 LEU 47 -13.567 -4.199 -7.215 385 1HD2 LEU 47 2HD1 LEU 47 -11.696 -2.513 -10.779 386 2HD2 LEU 47 3HD1 LEU 47 -13.123 -3.553 -10.890 387 3HD2 LEU 47 1HD1 LEU 47 -13.289 -1.892 -10.273 388 H THR 48 H THR 48 -11.305 -5.076 -6.763 389 HA THR 48 HA THR 48 -8.501 -5.847 -6.143 390 HB THR 48 HB THR 48 -10.575 -7.613 -7.348 391 HG1 THR 48 HG1 THR 48 -10.234 -7.107 -4.566 392 1HG2 THR 48 3HG2 THR 48 -8.245 -8.183 -5.425 393 2HG2 THR 48 1HG2 THR 48 -9.458 -9.394 -5.911 394 3HG2 THR 48 2HG2 THR 48 -8.352 -8.704 -7.119 395 H GLY 49 H GLY 49 -7.543 -4.513 -7.542 396 1HA GLY 49 1HA GLY 49 -5.906 -5.108 -9.542 397 2HA GLY 49 2HA GLY 49 -7.345 -5.224 -10.561 398 H ASP 50 H ASP 50 -6.926 -2.824 -8.071 399 HA ASP 50 HA ASP 50 -6.821 -0.578 -10.095 400 1HB ASP 50 1HB ASP 50 -7.654 -0.776 -7.239 401 2HB ASP 50 2HB ASP 50 -7.117 0.752 -7.841 402 HD1 ASP 50 HD2 ASP 50 -10.116 0.040 -10.149 403 H LYS 51 H LYS 51 -5.291 0.951 -10.125 404 HA LYS 51 HA LYS 51 -2.633 0.352 -9.307 405 1HB LYS 51 1HB LYS 51 -3.525 2.896 -10.649 406 2HB LYS 51 2HB LYS 51 -1.928 2.170 -10.617 407 1HG LYS 51 2HG LYS 51 -4.440 1.126 -11.952 408 2HG LYS 51 1HG LYS 51 -2.935 1.632 -12.711 409 1HD LYS 51 1HD LYS 51 -2.146 -0.580 -11.152 410 2HD LYS 51 2HD LYS 51 -3.781 -0.994 -11.490 411 1HE LYS 51 1HE LYS 51 -2.561 -2.086 -13.220 412 2HE LYS 51 2HE LYS 51 -3.355 -0.732 -14.018 413 1HZ LYS 51 1HZ LYS 51 -0.527 -0.702 -13.026 414 2HZ LYS 51 2HZ LYS 51 -1.257 0.530 -13.798 415 H VAL 52 H VAL 52 -2.606 0.275 -7.404 416 HA VAL 52 HA VAL 52 -2.727 2.583 -5.402 417 HB VAL 52 HB VAL 52 -2.093 0.831 -3.685 418 1HG1 VAL 52 3HG2 VAL 52 -4.557 1.235 -4.022 419 2HG1 VAL 52 1HG2 VAL 52 -4.575 -0.040 -5.264 420 3HG1 VAL 52 2HG2 VAL 52 -4.210 -0.448 -3.578 421 1HG2 VAL 52 2HG1 VAL 52 -1.003 -0.848 -5.281 422 2HG2 VAL 52 3HG1 VAL 52 -2.164 -1.547 -4.096 423 3HG2 VAL 52 1HG1 VAL 52 -2.619 -1.336 -5.801 424 H THR 53 H THR 53 -0.927 3.071 -4.014 425 HA THR 53 HA THR 53 1.888 2.237 -4.794 426 HB THR 53 HB THR 53 1.059 5.245 -4.946 427 HG1 THR 53 HG1 THR 53 1.153 3.295 -6.746 428 1HG2 THR 53 2HG2 THR 53 3.391 4.945 -3.931 429 2HG2 THR 53 3HG2 THR 53 3.861 3.966 -5.344 430 3HG2 THR 53 1HG2 THR 53 3.445 5.676 -5.544 431 H VAL 54 H VAL 54 2.416 1.660 -3.016 432 HA VAL 54 HA VAL 54 1.149 2.482 -0.370 433 HB VAL 54 HB VAL 54 2.335 -0.161 -1.220 434 1HG1 VAL 54 3HG2 VAL 54 1.934 -0.515 0.955 435 2HG1 VAL 54 1HG2 VAL 54 0.187 -0.110 0.782 436 3HG1 VAL 54 2HG2 VAL 54 0.898 -1.492 -0.044 437 1HG2 VAL 54 1HG1 VAL 54 0.240 0.611 -2.863 438 2HG2 VAL 54 2HG1 VAL 54 0.479 -1.042 -2.326 439 3HG2 VAL 54 3HG1 VAL 54 -0.696 -0.015 -1.533 440 H GLU 55 H GLU 55 2.430 2.858 1.444 441 HA GLU 55 HA GLU 55 5.292 3.404 0.699 442 1HB GLU 55 1HB GLU 55 3.768 5.133 2.002 443 2HB GLU 55 2HB GLU 55 4.047 4.078 3.391 444 1HG GLU 55 2HG GLU 55 6.521 4.517 2.979 445 2HG GLU 55 1HG GLU 55 6.103 5.719 1.781 446 HE1 GLU 55 HE2 GLU 55 5.765 6.488 5.666 447 H LEU 56 H LEU 56 6.909 2.504 1.748 448 HA LEU 56 HA LEU 56 6.602 0.223 3.658 449 1HB LEU 56 1HB LEU 56 7.900 -1.452 2.403 450 2HB LEU 56 2HB LEU 56 6.267 -1.172 1.902 451 HG LEU 56 HG LEU 56 6.691 -0.256 0.035 452 1HD1 LEU 56 3HD2 LEU 56 9.626 0.437 0.364 453 2HD1 LEU 56 1HD2 LEU 56 8.772 0.429 -1.181 454 3HD1 LEU 56 2HD2 LEU 56 8.228 1.503 0.087 455 1HD2 LEU 56 3HD1 LEU 56 7.268 -2.729 0.045 456 2HD2 LEU 56 1HD1 LEU 56 8.186 -1.942 -1.260 457 3HD2 LEU 56 2HD1 LEU 56 8.987 -2.323 0.272 458 H THR 57 H THR 57 9.503 -0.304 2.466 459 HA THR 57 HA THR 57 10.902 2.115 3.406 460 HB THR 57 HB THR 57 12.457 0.455 4.737 461 HG1 THR 57 HG1 THR 57 10.025 -0.889 4.790 462 1HG2 THR 57 2HG2 THR 57 11.480 2.386 5.844 463 2HG2 THR 57 3HG2 THR 57 9.971 1.464 6.135 464 3HG2 THR 57 1HG2 THR 57 11.513 0.965 6.899 465 HA PRO 58 HA PRO 58 14.377 0.869 0.647 466 1HB PRO 58 1HB PRO 58 16.056 1.462 2.965 467 2HB PRO 58 2HB PRO 58 16.273 1.921 1.288 468 1HG PRO 58 1HG PRO 58 15.320 3.734 2.896 469 2HG PRO 58 2HG PRO 58 14.315 3.533 1.476 470 1HD PRO 58 2HD PRO 58 13.865 2.207 4.268 471 2HD PRO 58 1HD PRO 58 12.706 3.083 3.382 472 H TYR 59 H TYR 59 14.578 0.045 3.886 473 HA TYR 59 HA TYR 59 16.401 -2.350 3.802 474 1HB TYR 59 1HB TYR 59 15.972 -0.350 5.626 475 2HB TYR 59 2HB TYR 59 14.795 -1.411 6.274 476 HD1 TYR 59 HD2 TYR 59 15.626 -3.793 7.083 477 HD2 TYR 59 HD1 TYR 59 18.276 -0.529 6.168 478 HE1 TYR 59 HE2 TYR 59 17.362 -4.791 8.508 479 HE2 TYR 59 HE1 TYR 59 19.999 -1.536 7.609 480 HH TYR 59 HH TYR 59 19.448 -4.629 9.251 481 H ASP 60 H ASP 60 13.006 -2.002 4.640 482 HA ASP 60 HA ASP 60 12.708 -5.067 4.900 483 1HB ASP 60 1HB ASP 60 12.630 -3.537 7.019 484 2HB ASP 60 2HB ASP 60 11.073 -2.975 6.453 485 HD1 ASP 60 HD2 ASP 60 9.543 -6.118 6.943 486 H LEU 61 H LEU 61 12.276 -4.800 2.575 487 HA LEU 61 HA LEU 61 9.714 -3.994 1.645 488 1HB LEU 61 1HB LEU 61 11.298 -6.258 0.259 489 2HB LEU 61 2HB LEU 61 10.314 -5.034 -0.474 490 HG LEU 61 HG LEU 61 12.418 -4.531 -1.201 491 1HD1 LEU 61 2HD1 LEU 61 11.321 -2.435 -0.326 492 2HD1 LEU 61 3HD1 LEU 61 12.173 -2.649 1.221 493 3HD1 LEU 61 1HD1 LEU 61 13.094 -2.332 -0.253 494 1HD2 LEU 61 2HD2 LEU 61 13.737 -6.013 0.358 495 2HD2 LEU 61 3HD2 LEU 61 14.511 -4.448 0.041 496 3HD2 LEU 61 1HD2 LEU 61 13.716 -4.726 1.590 497 H SER 62 H SER 62 9.488 -6.350 3.758 498 HA SER 62 HA SER 62 7.650 -8.178 2.346 499 1HB SER 62 1HB SER 62 7.351 -9.103 4.579 500 2HB SER 62 2HB SER 62 9.048 -8.762 4.367 501 HG SER 62 HG SER 62 7.173 -7.030 5.679 502 H LYS 63 H LYS 63 7.003 -5.058 3.888 503 HA LYS 63 HA LYS 63 3.997 -5.499 3.669 504 1HB LYS 63 1HB LYS 63 5.636 -4.746 6.139 505 2HB LYS 63 2HB LYS 63 4.019 -4.305 5.982 506 1HG LYS 63 1HG LYS 63 4.593 -7.222 5.445 507 2HG LYS 63 2HG LYS 63 4.775 -6.670 7.068 508 1HD LYS 63 2HD LYS 63 2.186 -6.238 5.470 509 2HD LYS 63 1HD LYS 63 2.464 -7.654 6.472 510 1HE LYS 63 1HE LYS 63 2.661 -6.234 8.536 511 2HE LYS 63 2HE LYS 63 2.468 -4.757 7.576 512 1HZ LYS 63 1HZ LYS 63 0.290 -5.621 6.824 513 2HZ LYS 63 2HZ LYS 63 0.327 -5.405 8.443 514 H GLY 64 H GLY 64 2.917 -3.466 4.126 515 1HA GLY 64 2HA GLY 64 4.126 -0.821 4.252 516 2HA GLY 64 1HA GLY 64 3.820 -1.086 2.539 517 H ARG 65 H ARG 65 2.682 1.005 3.128 518 HA ARG 65 HA ARG 65 -0.255 0.282 3.187 519 1HB ARG 65 1HB ARG 65 -0.873 1.767 4.951 520 2HB ARG 65 2HB ARG 65 0.503 0.819 5.478 521 1HG ARG 65 2HG ARG 65 2.043 2.821 5.125 522 2HG ARG 65 1HG ARG 65 0.642 3.780 4.684 523 1HD ARG 65 1HD ARG 65 0.994 4.322 6.955 524 2HD ARG 65 2HD ARG 65 -0.399 3.226 6.996 525 1HH1 ARG 65 2HH2 ARG 65 0.258 3.945 9.140 526 2HH1 ARG 65 1HH2 ARG 65 0.919 3.254 10.716 527 1HH2 ARG 65 1HH1 ARG 65 2.722 0.975 8.971 528 2HH2 ARG 65 2HH1 ARG 65 2.264 1.647 10.633 529 H ILE 66 H ILE 66 -0.808 1.307 0.921 530 HA ILE 66 HA ILE 66 -0.615 3.400 -0.245 531 HB ILE 66 HB ILE 66 -3.531 3.100 0.484 532 1HG1 ILE 66 1HG1 ILE 66 -3.662 1.809 -1.704 533 2HG1 ILE 66 2HG1 ILE 66 -1.903 1.795 -1.775 534 1HG2 ILE 66 2HG2 ILE 66 -2.952 5.231 -0.852 535 2HG2 ILE 66 3HG2 ILE 66 -2.200 4.240 -2.096 536 3HG2 ILE 66 1HG2 ILE 66 -3.950 4.111 -1.773 537 1HD1 ILE 66 3HD1 ILE 66 -3.570 0.574 0.527 538 2HD1 ILE 66 1HD1 ILE 66 -2.980 -0.330 -0.927 539 3HD1 ILE 66 2HD1 ILE 66 -1.862 0.271 0.260 540 H VAL 67 H VAL 67 0.122 5.272 0.180 541 HA VAL 67 HA VAL 67 -0.734 6.989 2.511 542 HB VAL 67 HB VAL 67 1.158 8.498 1.437 543 1HG1 VAL 67 3HG2 VAL 67 1.254 7.501 3.719 544 2HG1 VAL 67 1HG2 VAL 67 1.808 5.954 3.040 545 3HG1 VAL 67 2HG2 VAL 67 2.837 7.408 2.936 546 1HG2 VAL 67 2HG1 VAL 67 1.709 7.209 -0.623 547 2HG2 VAL 67 3HG1 VAL 67 3.092 7.377 0.482 548 3HG2 VAL 67 1HG1 VAL 67 2.227 5.831 0.375 549 H PHE 68 H PHE 68 -0.928 9.426 2.054 550 HA PHE 68 HA PHE 68 -3.422 9.638 0.500 551 1HB PHE 68 1HB PHE 68 -2.864 10.784 2.743 552 2HB PHE 68 2HB PHE 68 -1.972 11.975 1.829 553 HD1 PHE 68 HD1 PHE 68 -5.349 10.438 2.362 554 HD2 PHE 68 HD2 PHE 68 -3.237 13.704 0.536 555 HE1 PHE 68 HE1 PHE 68 -7.483 11.608 1.978 556 HE2 PHE 68 HE2 PHE 68 -5.383 14.850 0.128 557 HZ PHE 68 HZ PHE 68 -7.504 13.805 0.847 558 H ARG 69 H ARG 69 -2.574 9.048 -1.542 559 HA ARG 69 HA ARG 69 -1.316 11.174 -3.272 560 1HB ARG 69 1HB ARG 69 -0.678 8.802 -3.505 561 2HB ARG 69 2HB ARG 69 -2.343 8.321 -3.820 562 1HG ARG 69 1HG ARG 69 -2.380 9.622 -5.947 563 2HG ARG 69 2HG ARG 69 -0.737 10.204 -5.684 564 1HD ARG 69 1HD ARG 69 0.200 7.921 -5.921 565 2HD ARG 69 2HD ARG 69 -1.425 7.197 -5.897 566 1HH1 ARG 69 2HH2 ARG 69 0.141 6.116 -7.392 567 2HH1 ARG 69 1HH2 ARG 69 0.130 5.702 -9.181 568 1HH2 ARG 69 1HH1 ARG 69 -1.491 8.581 -9.922 569 2HH2 ARG 69 2HH1 ARG 69 -0.732 7.015 -10.529 570 H SER 70 H SER 70 -2.499 12.752 -4.103 571 HA SER 70 HA SER 70 -5.505 12.562 -4.517 572 1HB SER 70 1HB SER 70 -3.589 14.932 -4.938 573 2HB SER 70 2HB SER 70 -5.338 14.982 -5.153 574 HG SER 70 HG SER 70 -4.307 13.949 -2.736 575 H ARG 71 H ARG 71 -2.906 13.554 -6.764 576 HA ARG 71 HA ARG 71 -4.439 12.520 -9.114 577 1HB ARG 71 2HB ARG 71 -2.815 13.698 -10.380 578 2HB ARG 71 1HB ARG 71 -3.337 14.738 -9.103 579 1HG ARG 71 1HG ARG 71 -1.096 14.127 -7.871 580 2HG ARG 71 2HG ARG 71 -0.610 13.267 -9.318 581 1HD ARG 71 1HD ARG 71 -1.365 16.273 -9.269 582 2HD ARG 71 2HD ARG 71 0.287 15.650 -9.105 583 1HH1 ARG 71 2HH2 ARG 71 0.132 17.610 -10.416 584 2HH1 ARG 71 1HH2 ARG 71 0.493 18.156 -12.142 585 1HH2 ARG 71 1HH1 ARG 71 -0.416 15.104 -13.296 586 2HH2 ARG 71 2HH1 ARG 71 0.195 16.798 -13.717 No H/Q in entry = 586 Start of MODEL 17 1 1H ALA 1 1H ALA 1 18.429 8.905 7.231 2 2H ALA 1 2H ALA 1 17.919 9.926 8.392 3 HA ALA 1 HA ALA 1 17.662 11.720 6.762 4 1HB ALA 1 1HB ALA 1 19.623 11.492 8.300 5 2HB ALA 1 2HB ALA 1 20.446 10.422 7.134 6 3HB ALA 1 3HB ALA 1 20.147 12.125 6.727 7 H LYS 2 H LYS 2 16.997 11.883 4.737 8 HA LYS 2 HA LYS 2 17.001 11.985 2.396 9 1HB LYS 2 1HB LYS 2 19.795 10.740 2.436 10 2HB LYS 2 2HB LYS 2 18.945 11.217 0.983 11 1HG LYS 2 1HG LYS 2 18.854 13.618 1.743 12 2HG LYS 2 2HG LYS 2 19.609 13.173 3.266 13 1HD LYS 2 1HD LYS 2 21.343 14.110 1.931 14 2HD LYS 2 2HD LYS 2 21.681 12.389 2.034 15 1HE LYS 2 1HE LYS 2 20.688 12.081 -0.315 16 2HE LYS 2 2HE LYS 2 20.336 13.817 -0.379 17 1HZ LYS 2 1HZ LYS 2 22.499 13.222 -1.411 18 2HZ LYS 2 2HZ LYS 2 23.062 12.657 0.018 19 H GLU 3 H GLU 3 18.357 8.753 2.981 20 HA GLU 3 HA GLU 3 16.258 7.577 1.084 21 1HB GLU 3 1HB GLU 3 18.764 7.093 0.798 22 2HB GLU 3 2HB GLU 3 18.728 6.229 2.335 23 1HG GLU 3 1HG GLU 3 16.958 4.664 1.360 24 2HG GLU 3 2HG GLU 3 17.022 5.555 -0.160 25 HE2 GLU 3 HE2 GLU 3 19.665 2.758 0.629 26 H ASP 4 H ASP 4 14.850 8.393 2.941 27 HA ASP 4 HA ASP 4 14.435 6.463 5.211 28 1HB ASP 4 1HB ASP 4 13.035 9.083 4.310 29 2HB ASP 4 2HB ASP 4 12.716 8.252 5.806 30 HD1 ASP 4 HD2 ASP 4 15.960 9.001 7.099 31 H ASN 5 H ASN 5 11.637 6.488 5.501 32 HA ASN 5 HA ASN 5 10.838 4.152 3.993 33 1HB ASN 5 1HB ASN 5 9.074 6.226 5.467 34 2HB ASN 5 2HB ASN 5 8.455 4.722 4.847 35 1HD2 ASN 5 1HD2 ASN 5 9.623 2.929 7.699 36 2HD2 ASN 5 2HD2 ASN 5 8.869 2.827 6.011 37 H ILE 6 H ILE 6 10.306 3.957 1.806 38 HA ILE 6 HA ILE 6 9.740 6.447 0.250 39 HB ILE 6 HB ILE 6 10.155 3.720 -1.051 40 1HG1 ILE 6 2HG1 ILE 6 12.443 5.206 0.249 41 2HG1 ILE 6 1HG1 ILE 6 11.836 3.620 0.508 42 1HG2 ILE 6 2HG2 ILE 6 9.669 5.791 -2.508 43 2HG2 ILE 6 3HG2 ILE 6 11.142 6.562 -1.868 44 3HG2 ILE 6 1HG2 ILE 6 11.229 5.098 -2.870 45 1HD1 ILE 6 2HD1 ILE 6 12.552 2.777 -1.735 46 2HD1 ILE 6 3HD1 ILE 6 13.230 4.377 -2.136 47 3HD1 ILE 6 1HD1 ILE 6 13.933 3.426 -0.823 48 H GLU 7 H GLU 7 8.212 6.455 -1.281 49 HA GLU 7 HA GLU 7 5.926 4.536 -1.052 50 1HB GLU 7 1HB GLU 7 4.292 6.113 -2.090 51 2HB GLU 7 2HB GLU 7 4.761 6.374 -0.421 52 1HG GLU 7 1HG GLU 7 6.266 8.113 -0.999 53 2HG GLU 7 2HG GLU 7 6.172 7.785 -2.710 54 HE2 GLU 7 HE2 GLU 7 3.294 9.668 -3.166 55 H MET 8 H MET 8 5.323 3.529 -2.515 56 HA MET 8 HA MET 8 6.981 3.105 -5.018 57 1HB MET 8 1HB MET 8 8.787 3.340 -3.443 58 2HB MET 8 2HB MET 8 8.101 2.301 -2.237 59 1HG MET 8 1HG MET 8 8.487 0.305 -3.588 60 2HG MET 8 2HG MET 8 8.767 1.344 -4.989 61 1HE MET 8 2HE MET 8 10.635 -1.098 -3.523 62 2HE MET 8 1HE MET 8 11.013 -0.416 -5.140 63 3HE MET 8 3HE MET 8 12.269 -0.465 -3.867 64 H GLN 9 H GLN 9 4.906 2.660 -5.199 65 HA GLN 9 HA GLN 9 3.391 0.574 -3.952 66 1HB GLN 9 1HB GLN 9 1.573 1.767 -5.059 67 2HB GLN 9 2HB GLN 9 2.684 2.451 -4.016 68 1HG GLN 9 1HG GLN 9 1.826 4.025 -5.722 69 2HG GLN 9 2HG GLN 9 3.347 4.144 -4.855 70 1HE2 GLN 9 2HE2 GLN 9 3.579 3.329 -8.887 71 2HE2 GLN 9 1HE2 GLN 9 2.055 2.884 -7.953 72 H GLY 10 H GLY 10 1.544 0.459 -6.133 73 1HA GLY 10 2HA GLY 10 2.384 -1.170 -8.381 74 2HA GLY 10 1HA GLY 10 2.170 -2.340 -7.095 75 H THR 11 H THR 11 0.467 -3.531 -7.770 76 HA THR 11 HA THR 11 -2.180 -2.118 -8.477 77 HB THR 11 HB THR 11 -0.979 -4.556 -9.949 78 HG1 THR 11 HG1 THR 11 -0.181 -2.382 -10.424 79 1HG2 THR 11 3HG2 THR 11 -3.618 -3.010 -10.475 80 2HG2 THR 11 1HG2 THR 11 -2.924 -4.267 -11.526 81 3HG2 THR 11 2HG2 THR 11 -3.487 -4.696 -9.899 82 H VAL 12 H VAL 12 -3.837 -2.905 -7.368 83 HA VAL 12 HA VAL 12 -3.447 -4.496 -4.994 84 HB VAL 12 HB VAL 12 -6.094 -4.289 -6.501 85 1HG1 VAL 12 2HG2 VAL 12 -5.424 -5.082 -3.589 86 2HG1 VAL 12 3HG2 VAL 12 -7.069 -4.688 -4.120 87 3HG1 VAL 12 1HG2 VAL 12 -6.255 -6.063 -4.819 88 1HG2 VAL 12 1HG1 VAL 12 -5.292 -2.392 -4.274 89 2HG2 VAL 12 2HG1 VAL 12 -5.714 -1.963 -5.954 90 3HG2 VAL 12 3HG1 VAL 12 -6.924 -2.634 -4.886 91 H LEU 13 H LEU 13 -2.971 -6.870 -5.151 92 HA LEU 13 HA LEU 13 -4.229 -8.598 -7.338 93 1HB LEU 13 1HB LEU 13 -2.396 -9.671 -5.142 94 2HB LEU 13 2HB LEU 13 -3.090 -10.537 -6.486 95 HG LEU 13 HG LEU 13 -0.895 -8.411 -6.607 96 1HD1 LEU 13 3HD2 LEU 13 -1.005 -11.447 -7.254 97 2HD1 LEU 13 1HD2 LEU 13 0.417 -10.435 -7.536 98 3HD1 LEU 13 2HD2 LEU 13 -0.170 -10.684 -5.881 99 1HD2 LEU 13 2HD1 LEU 13 -2.263 -9.789 -9.022 100 2HD2 LEU 13 3HD1 LEU 13 -2.265 -8.048 -8.647 101 3HD2 LEU 13 1HD1 LEU 13 -0.755 -8.844 -9.100 102 H GLU 14 H GLU 14 -4.431 -8.144 -3.834 103 HA GLU 14 HA GLU 14 -7.372 -8.968 -4.099 104 1HB GLU 14 1HB GLU 14 -6.369 -10.968 -3.315 105 2HB GLU 14 2HB GLU 14 -5.397 -10.110 -2.110 106 1HG GLU 14 1HG GLU 14 -7.064 -9.899 -0.526 107 2HG GLU 14 2HG GLU 14 -8.346 -9.996 -1.695 108 HE1 GLU 14 HE2 GLU 14 -6.606 -13.355 -0.327 109 H THR 15 H THR 15 -8.548 -8.233 -2.586 110 HA THR 15 HA THR 15 -7.944 -5.522 -1.070 111 HB THR 15 HB THR 15 -10.339 -4.979 -1.060 112 HG1 THR 15 HG1 THR 15 -11.040 -7.106 -1.812 113 1HG2 THR 15 2HG2 THR 15 -8.566 -3.987 -2.638 114 2HG2 THR 15 3HG2 THR 15 -9.156 -5.089 -3.886 115 3HG2 THR 15 1HG2 THR 15 -10.238 -3.834 -3.212 116 H LEU 16 H LEU 16 -7.503 -6.442 0.801 117 HA LEU 16 HA LEU 16 -8.334 -9.161 1.512 118 1HB LEU 16 1HB LEU 16 -6.240 -7.018 2.133 119 2HB LEU 16 2HB LEU 16 -6.585 -8.011 3.446 120 HG LEU 16 HG LEU 16 -5.633 -9.060 0.810 121 1HD1 LEU 16 3HD1 LEU 16 -3.966 -7.776 2.018 122 2HD1 LEU 16 1HD1 LEU 16 -4.250 -8.703 3.519 123 3HD1 LEU 16 2HD1 LEU 16 -3.539 -9.498 2.088 124 1HD2 LEU 16 3HD2 LEU 16 -6.998 -10.867 1.852 125 2HD2 LEU 16 1HD2 LEU 16 -5.278 -11.248 1.897 126 3HD2 LEU 16 2HD2 LEU 16 -6.096 -10.686 3.387 127 HA PRO 17 HA PRO 17 -11.327 -9.029 4.807 128 1HB PRO 17 1HB PRO 17 -10.509 -8.538 7.417 129 2HB PRO 17 2HB PRO 17 -10.013 -9.974 6.491 130 1HG PRO 17 1HG PRO 17 -8.644 -7.299 7.031 131 2HG PRO 17 2HG PRO 17 -8.042 -8.931 7.396 132 1HD PRO 17 2HD PRO 17 -7.493 -7.698 5.233 133 2HD PRO 17 1HD PRO 17 -7.812 -9.485 5.106 134 H ASN 18 H ASN 18 -10.212 -6.193 6.717 135 HA ASN 18 HA ASN 18 -12.732 -4.726 6.393 136 1HB ASN 18 1HB ASN 18 -10.069 -3.894 7.461 137 2HB ASN 18 2HB ASN 18 -11.489 -2.900 7.485 138 1HD2 ASN 18 1HD2 ASN 18 -11.464 -4.248 10.743 139 2HD2 ASN 18 2HD2 ASN 18 -11.349 -2.756 9.685 140 H THR 19 H THR 19 -9.751 -3.217 5.419 141 HA THR 19 HA THR 19 -10.467 -3.102 2.484 142 HB THR 19 HB THR 19 -10.658 -0.770 4.288 143 HG1 THR 19 HG1 THR 19 -12.404 -2.245 3.272 144 1HG2 THR 19 2HG2 THR 19 -9.215 0.013 2.239 145 2HG2 THR 19 3HG2 THR 19 -10.448 -0.688 1.164 146 3HG2 THR 19 1HG2 THR 19 -10.840 0.723 2.164 147 H MET 20 H MET 20 -8.472 -4.531 3.303 148 HA MET 20 HA MET 20 -5.998 -2.979 2.807 149 1HB MET 20 1HB MET 20 -6.665 -5.795 3.966 150 2HB MET 20 2HB MET 20 -5.011 -5.221 3.793 151 1HG MET 20 1HG MET 20 -5.629 -3.214 5.204 152 2HG MET 20 2HG MET 20 -7.204 -3.828 5.409 153 1HE MET 20 1HE MET 20 -7.070 -3.805 7.995 154 2HE MET 20 3HE MET 20 -5.776 -4.563 8.970 155 3HE MET 20 2HE MET 20 -5.403 -3.146 7.952 156 H PHE 21 H PHE 21 -4.152 -4.392 1.745 157 HA PHE 21 HA PHE 21 -5.173 -4.977 -1.199 158 1HB PHE 21 1HB PHE 21 -2.904 -3.164 -0.534 159 2HB PHE 21 2HB PHE 21 -3.692 -3.667 -2.046 160 HD1 PHE 21 HD2 PHE 21 -5.980 -3.186 -2.445 161 HD2 PHE 21 HD1 PHE 21 -4.122 -1.785 0.933 162 HE1 PHE 21 HE2 PHE 21 -8.200 -2.129 -1.664 163 HE2 PHE 21 HE1 PHE 21 -6.450 -1.217 1.687 164 HZ PHE 21 HZ PHE 21 -8.215 -0.655 0.084 165 H ARG 22 H ARG 22 -4.353 -7.155 -1.347 166 HA ARG 22 HA ARG 22 -1.498 -7.859 -0.380 167 1HB ARG 22 1HB ARG 22 -3.271 -9.635 -0.138 168 2HB ARG 22 2HB ARG 22 -3.250 -9.719 -1.891 169 1HG ARG 22 2HG ARG 22 -0.845 -10.344 -1.940 170 2HG ARG 22 1HG ARG 22 -0.670 -10.040 -0.218 171 1HD ARG 22 1HD ARG 22 -2.330 -11.935 0.264 172 2HD ARG 22 2HD ARG 22 -2.447 -12.220 -1.473 173 1HH1 ARG 22 2HH2 ARG 22 -0.735 -11.806 1.607 174 2HH1 ARG 22 1HH2 ARG 22 0.775 -12.648 2.254 175 1HH2 ARG 22 1HH1 ARG 22 1.320 -14.012 -0.799 176 2HH2 ARG 22 2HH1 ARG 22 1.914 -13.833 0.943 177 H VAL 23 H VAL 23 -0.149 -6.765 -1.630 178 HA VAL 23 HA VAL 23 -1.032 -6.043 -4.494 179 HB VAL 23 HB VAL 23 1.093 -4.377 -3.096 180 1HG1 VAL 23 3HG2 VAL 23 0.366 -3.818 -5.464 181 2HG1 VAL 23 1HG2 VAL 23 -1.296 -3.580 -4.850 182 3HG1 VAL 23 2HG2 VAL 23 0.010 -2.523 -4.320 183 1HG2 VAL 23 1HG1 VAL 23 -1.891 -4.267 -2.579 184 2HG2 VAL 23 2HG1 VAL 23 -0.638 -4.340 -1.330 185 3HG2 VAL 23 3HG1 VAL 23 -0.895 -2.827 -2.239 186 H GLU 24 H GLU 24 0.237 -5.990 -6.170 187 HA GLU 24 HA GLU 24 2.953 -7.503 -6.041 188 1HB GLU 24 1HB GLU 24 1.224 -8.426 -7.626 189 2HB GLU 24 2HB GLU 24 1.183 -6.903 -8.505 190 1HG GLU 24 1HG GLU 24 3.642 -7.231 -9.130 191 2HG GLU 24 2HG GLU 24 3.703 -8.713 -8.181 192 HE1 GLU 24 HE2 GLU 24 2.004 -10.595 -10.506 193 H LEU 25 H LEU 25 4.675 -5.893 -5.701 194 HA LEU 25 HA LEU 25 4.021 -3.153 -6.377 195 1HB LEU 25 1HB LEU 25 5.163 -2.808 -4.590 196 2HB LEU 25 2HB LEU 25 5.335 -4.506 -4.348 197 HG LEU 25 HG LEU 25 7.338 -4.298 -5.684 198 1HD1 LEU 25 2HD1 LEU 25 7.208 -1.561 -5.760 199 2HD1 LEU 25 3HD1 LEU 25 7.156 -1.581 -4.008 200 3HD1 LEU 25 1HD1 LEU 25 8.644 -2.019 -4.843 201 1HD2 LEU 25 3HD2 LEU 25 7.147 -3.773 -2.655 202 2HD2 LEU 25 1HD2 LEU 25 7.450 -5.307 -3.501 203 3HD2 LEU 25 2HD2 LEU 25 8.706 -4.063 -3.422 204 H GLU 26 H GLU 26 5.886 -1.973 -6.980 205 HA GLU 26 HA GLU 26 6.666 -2.630 -9.867 206 1HB GLU 26 1HB GLU 26 7.461 -0.353 -10.137 207 2HB GLU 26 2HB GLU 26 5.804 -0.438 -9.600 208 1HG GLU 26 1HG GLU 26 6.704 0.123 -7.175 209 2HG GLU 26 2HG GLU 26 8.241 0.494 -7.946 210 HE2 GLU 26 HE2 GLU 26 6.589 3.563 -7.600 211 H ASN 27 H ASN 27 7.962 -3.317 -6.875 212 HA ASN 27 HA ASN 27 10.788 -3.797 -8.124 213 1HB ASN 27 2HB ASN 27 10.806 -2.754 -5.891 214 2HB ASN 27 1HB ASN 27 9.686 -3.922 -5.278 215 1HD2 ASN 27 1HD2 ASN 27 12.210 -5.314 -3.790 216 2HD2 ASN 27 2HD2 ASN 27 10.487 -5.542 -4.278 217 H GLY 28 H GLY 28 7.728 -5.377 -7.914 218 1HA GLY 28 1HA GLY 28 7.288 -7.503 -8.974 219 2HA GLY 28 2HA GLY 28 8.952 -7.946 -8.792 220 H HIS 29 H HIS 29 8.473 -7.157 -5.829 221 HA HIS 29 HA HIS 29 7.794 -9.953 -4.850 222 1HB HIS 29 1HB HIS 29 8.763 -7.409 -3.374 223 2HB HIS 29 2HB HIS 29 8.241 -8.826 -2.521 224 HD2 HIS 29 HD2 HIS 29 10.932 -8.155 -5.384 225 HE1 HIS 29 HE1 HIS 29 12.481 -10.928 -2.678 226 HE2 HIS 29 HE2 HIS 29 13.097 -9.594 -4.802 227 H VAL 30 H VAL 30 5.939 -10.569 -3.835 228 HA VAL 30 HA VAL 30 3.582 -8.727 -3.952 229 HB VAL 30 HB VAL 30 3.841 -11.720 -3.479 230 1HG1 VAL 30 1HG2 VAL 30 1.234 -10.073 -3.239 231 2HG1 VAL 30 2HG2 VAL 30 1.325 -11.853 -3.368 232 3HG1 VAL 30 3HG2 VAL 30 1.993 -11.038 -1.950 233 1HG2 VAL 30 2HG1 VAL 30 3.881 -10.781 -5.862 234 2HG2 VAL 30 3HG1 VAL 30 2.416 -11.756 -5.574 235 3HG2 VAL 30 1HG1 VAL 30 2.327 -9.976 -5.565 236 H VAL 31 H VAL 31 3.137 -7.513 -2.505 237 HA VAL 31 HA VAL 31 4.145 -7.827 0.392 238 HB VAL 31 HB VAL 31 3.846 -5.354 0.683 239 1HG1 VAL 31 3HG2 VAL 31 6.062 -6.381 0.220 240 2HG1 VAL 31 1HG2 VAL 31 5.882 -6.014 -1.502 241 3HG1 VAL 31 2HG2 VAL 31 5.941 -4.694 -0.287 242 1HG2 VAL 31 2HG1 VAL 31 2.282 -4.792 -1.189 243 2HG2 VAL 31 3HG1 VAL 31 3.761 -3.800 -1.245 244 3HG2 VAL 31 1HG1 VAL 31 3.553 -5.161 -2.380 245 H THR 32 H THR 32 2.943 -7.230 2.090 246 HA THR 32 HA THR 32 -0.130 -7.483 1.826 247 HB THR 32 HB THR 32 1.770 -7.979 4.207 248 HG1 THR 32 HG1 THR 32 1.274 -9.591 2.579 249 1HG2 THR 32 3HG2 THR 32 -1.318 -7.834 4.288 250 2HG2 THR 32 1HG2 THR 32 -0.280 -8.527 5.579 251 3HG2 THR 32 2HG2 THR 32 -0.186 -6.804 5.181 252 H ALA 33 H ALA 33 -0.941 -5.336 1.547 253 HA ALA 33 HA ALA 33 -0.050 -3.330 3.691 254 1HB ALA 33 3HB ALA 33 -0.661 -3.044 0.680 255 2HB ALA 33 1HB ALA 33 -0.259 -1.720 1.797 256 3HB ALA 33 2HB ALA 33 0.931 -2.993 1.501 257 H HIS 34 H HIS 34 -1.251 -1.559 3.954 258 HA HIS 34 HA HIS 34 -4.292 -1.874 3.937 259 1HB HIS 34 1HB HIS 34 -4.174 -0.277 6.092 260 2HB HIS 34 2HB HIS 34 -4.205 -1.979 6.226 261 HD2 HIS 34 HD2 HIS 34 -1.768 1.053 6.586 262 HE1 HIS 34 HE1 HIS 34 0.102 -2.179 8.439 263 HE2 HIS 34 HE2 HIS 34 0.370 0.353 7.964 264 H ILE 35 H ILE 35 -5.047 0.603 4.327 265 HA ILE 35 HA ILE 35 -3.211 2.454 2.829 266 HB ILE 35 HB ILE 35 -5.033 3.464 2.244 267 1HG1 ILE 35 1HG1 ILE 35 -7.395 2.683 3.937 268 2HG1 ILE 35 2HG1 ILE 35 -6.206 3.565 4.831 269 1HG2 ILE 35 2HG2 ILE 35 -5.496 1.334 1.205 270 2HG2 ILE 35 3HG2 ILE 35 -6.660 0.937 2.501 271 3HG2 ILE 35 1HG2 ILE 35 -6.972 2.273 1.383 272 1HD1 ILE 35 3HD1 ILE 35 -7.195 4.599 2.081 273 2HD1 ILE 35 1HD1 ILE 35 -7.961 5.020 3.607 274 3HD1 ILE 35 2HD1 ILE 35 -6.267 5.477 3.322 275 H SER 36 H SER 36 -3.355 4.855 3.643 276 HA SER 36 HA SER 36 -2.481 5.025 6.523 277 1HB SER 36 1HB SER 36 -1.912 7.253 5.917 278 2HB SER 36 2HB SER 36 -1.351 6.213 4.637 279 HG SER 36 HG SER 36 -3.924 7.351 4.412 280 H GLY 37 H GLY 37 -4.233 4.414 7.644 281 1HA GLY 37 1HA GLY 37 -6.807 4.616 7.861 282 2HA GLY 37 2HA GLY 37 -5.970 5.151 9.278 283 H LYS 38 H LYS 38 -5.262 7.727 7.979 284 HA LYS 38 HA LYS 38 -7.555 9.359 8.811 285 1HB LYS 38 2HB LYS 38 -5.163 10.260 7.073 286 2HB LYS 38 1HB LYS 38 -6.076 11.208 8.218 287 1HG LYS 38 1HG LYS 38 -4.981 9.911 10.124 288 2HG LYS 38 2HG LYS 38 -4.038 8.998 8.939 289 1HD LYS 38 1HD LYS 38 -3.936 12.083 9.236 290 2HD LYS 38 2HD LYS 38 -2.849 10.975 10.061 291 1HE LYS 38 1HE LYS 38 -2.007 10.084 7.826 292 2HE LYS 38 2HE LYS 38 -3.073 11.207 6.973 293 1HZ LYS 38 1HZ LYS 38 -0.949 12.021 8.906 294 2HZ LYS 38 2HZ LYS 38 -1.943 13.057 8.133 295 H MET 39 H MET 39 -6.342 8.436 5.639 296 HA MET 39 HA MET 39 -8.458 10.077 4.223 297 1HB MET 39 1HB MET 39 -7.534 8.742 2.167 298 2HB MET 39 2HB MET 39 -6.780 10.203 2.744 299 1HG MET 39 2HG MET 39 -4.959 9.114 3.602 300 2HG MET 39 1HG MET 39 -5.682 7.524 3.407 301 1HE MET 39 2HE MET 39 -6.721 6.881 0.879 302 2HE MET 39 1HE MET 39 -5.421 6.735 -0.331 303 3HE MET 39 3HE MET 39 -5.193 6.065 1.308 304 H ARG 40 H ARG 40 -8.268 6.558 4.910 305 HA ARG 40 HA ARG 40 -10.312 5.425 3.815 306 1HB ARG 40 1HB ARG 40 -10.125 5.930 6.857 307 2HB ARG 40 2HB ARG 40 -11.217 4.790 6.152 308 1HG ARG 40 2HG ARG 40 -9.254 3.560 5.044 309 2HG ARG 40 1HG ARG 40 -8.168 4.606 5.952 310 1HD ARG 40 1HD ARG 40 -9.234 3.750 8.123 311 2HD ARG 40 2HD ARG 40 -10.209 2.624 7.190 312 1HH1 ARG 40 2HH2 ARG 40 -9.629 1.366 5.484 313 2HH1 ARG 40 1HH2 ARG 40 -8.573 -0.066 4.993 314 1HH2 ARG 40 1HH1 ARG 40 -6.245 0.856 7.262 315 2HH2 ARG 40 2HH1 ARG 40 -6.807 -0.394 6.009 316 H LYS 41 H LYS 41 -11.071 8.311 5.610 317 HA LYS 41 HA LYS 41 -14.033 8.114 4.852 318 1HB LYS 41 1HB LYS 41 -12.406 9.872 6.870 319 2HB LYS 41 2HB LYS 41 -13.987 10.321 6.402 320 1HG LYS 41 1HG LYS 41 -14.268 9.260 8.495 321 2HG LYS 41 2HG LYS 41 -14.967 8.181 7.310 322 1HD LYS 41 1HD LYS 41 -13.773 6.890 8.991 323 2HD LYS 41 2HD LYS 41 -12.968 6.673 7.448 324 1HE LYS 41 1HE LYS 41 -11.170 8.347 8.152 325 2HE LYS 41 2HE LYS 41 -12.010 8.607 9.690 326 1HZ LYS 41 1HZ LYS 41 -10.142 6.865 9.584 327 2HZ LYS 41 2HZ LYS 41 -11.175 5.896 8.797 328 H ASN 42 H ASN 42 -11.677 9.166 3.399 329 HA ASN 42 HA ASN 42 -13.127 11.336 1.741 330 1HB ASN 42 1HB ASN 42 -10.955 12.237 2.892 331 2HB ASN 42 2HB ASN 42 -10.051 11.019 2.031 332 1HD2 ASN 42 1HD2 ASN 42 -9.615 13.854 -0.035 333 2HD2 ASN 42 2HD2 ASN 42 -8.973 13.102 1.515 334 H TYR 43 H TYR 43 -10.541 8.966 1.540 335 HA TYR 43 HA TYR 43 -11.378 7.769 -1.131 336 1HB TYR 43 1HB TYR 43 -9.023 8.475 -0.803 337 2HB TYR 43 2HB TYR 43 -8.977 7.514 0.638 338 HD1 TYR 43 HD2 TYR 43 -9.080 4.899 0.479 339 HD2 TYR 43 HD1 TYR 43 -8.339 7.490 -2.872 340 HE1 TYR 43 HE2 TYR 43 -7.971 3.076 -0.666 341 HE2 TYR 43 HE1 TYR 43 -7.175 5.638 -4.013 342 HH TYR 43 HH TYR 43 -7.067 2.414 -2.707 343 H ILE 44 H ILE 44 -13.386 6.953 0.125 344 HA ILE 44 HA ILE 44 -13.389 5.066 2.052 345 HB ILE 44 HB ILE 44 -15.337 4.967 -0.183 346 1HG1 ILE 44 1HG1 ILE 44 -15.280 6.846 2.226 347 2HG1 ILE 44 2HG1 ILE 44 -15.127 7.331 0.564 348 1HG2 ILE 44 2HG2 ILE 44 -15.544 3.066 1.502 349 2HG2 ILE 44 3HG2 ILE 44 -15.706 4.260 2.809 350 3HG2 ILE 44 1HG2 ILE 44 -16.956 4.117 1.549 351 1HD1 ILE 44 2HD1 ILE 44 -17.507 6.594 0.057 352 2HD1 ILE 44 3HD1 ILE 44 -17.739 6.283 1.799 353 3HD1 ILE 44 1HD1 ILE 44 -17.373 7.923 1.232 354 H ARG 45 H ARG 45 -13.855 3.712 -1.194 355 HA ARG 45 HA ARG 45 -11.766 1.674 -0.602 356 1HB ARG 45 2HB ARG 45 -14.603 0.938 -1.436 357 2HB ARG 45 1HB ARG 45 -13.343 -0.229 -1.429 358 1HG ARG 45 1HG ARG 45 -12.876 0.231 1.052 359 2HG ARG 45 2HG ARG 45 -14.387 1.094 1.099 360 1HD ARG 45 1HD ARG 45 -14.866 -1.139 1.850 361 2HD ARG 45 2HD ARG 45 -15.562 -1.080 0.222 362 1HH1 ARG 45 2HH2 ARG 45 -15.203 -3.106 2.109 363 2HH1 ARG 45 1HH2 ARG 45 -14.434 -4.782 2.123 364 1HH2 ARG 45 1HH1 ARG 45 -12.339 -3.864 -0.364 365 2HH2 ARG 45 2HH1 ARG 45 -12.924 -5.217 0.760 366 H ILE 46 H ILE 46 -11.899 0.037 -2.315 367 HA ILE 46 HA ILE 46 -11.429 0.838 -5.124 368 HB ILE 46 HB ILE 46 -9.039 0.327 -5.237 369 1HG1 ILE 46 1HG1 ILE 46 -8.617 1.471 -2.433 370 2HG1 ILE 46 2HG1 ILE 46 -9.101 -0.196 -2.498 371 1HG2 ILE 46 2HG2 ILE 46 -9.945 2.626 -5.645 372 2HG2 ILE 46 3HG2 ILE 46 -9.712 3.022 -3.928 373 3HG2 ILE 46 1HG2 ILE 46 -8.309 2.658 -4.954 374 1HD1 ILE 46 2HD1 ILE 46 -6.824 0.704 -4.340 375 2HD1 ILE 46 3HD1 ILE 46 -6.573 0.174 -2.637 376 3HD1 ILE 46 1HD1 ILE 46 -7.331 -0.918 -3.808 377 H LEU 47 H LEU 47 -10.193 -1.083 -6.255 378 HA LEU 47 HA LEU 47 -11.803 -3.523 -5.340 379 1HB LEU 47 1HB LEU 47 -12.442 -1.905 -7.668 380 2HB LEU 47 2HB LEU 47 -11.644 -3.286 -8.305 381 HG LEU 47 HG LEU 47 -13.998 -3.622 -8.335 382 1HD1 LEU 47 3HD2 LEU 47 -12.807 -5.736 -7.847 383 2HD1 LEU 47 1HD2 LEU 47 -13.018 -5.476 -6.086 384 3HD1 LEU 47 2HD2 LEU 47 -14.425 -5.724 -7.133 385 1HD2 LEU 47 2HD1 LEU 47 -14.663 -2.017 -6.512 386 2HD2 LEU 47 3HD1 LEU 47 -15.502 -3.570 -6.338 387 3HD2 LEU 47 1HD1 LEU 47 -14.132 -3.175 -5.275 388 H THR 48 H THR 48 -11.188 -5.324 -6.968 389 HA THR 48 HA THR 48 -8.322 -6.046 -6.195 390 HB THR 48 HB THR 48 -10.598 -7.701 -7.158 391 HG1 THR 48 HG1 THR 48 -10.379 -6.889 -4.918 392 1HG2 THR 48 3HG2 THR 48 -7.746 -8.579 -6.484 393 2HG2 THR 48 1HG2 THR 48 -9.121 -9.705 -6.554 394 3HG2 THR 48 2HG2 THR 48 -8.583 -8.856 -8.023 395 H GLY 49 H GLY 49 -7.443 -4.525 -7.460 396 1HA GLY 49 1HA GLY 49 -5.780 -4.922 -9.476 397 2HA GLY 49 2HA GLY 49 -7.197 -5.040 -10.519 398 H ASP 50 H ASP 50 -6.910 -2.766 -7.902 399 HA ASP 50 HA ASP 50 -6.904 -0.426 -9.814 400 1HB ASP 50 1HB ASP 50 -7.776 -0.819 -6.986 401 2HB ASP 50 2HB ASP 50 -7.372 0.775 -7.509 402 HD1 ASP 50 HD2 ASP 50 -10.055 1.242 -9.545 403 H LYS 51 H LYS 51 -5.538 1.258 -9.724 404 HA LYS 51 HA LYS 51 -2.811 0.852 -9.010 405 1HB LYS 51 1HB LYS 51 -3.967 3.438 -10.027 406 2HB LYS 51 2HB LYS 51 -2.321 2.844 -10.128 407 1HG LYS 51 2HG LYS 51 -4.796 1.794 -11.514 408 2HG LYS 51 1HG LYS 51 -3.335 2.478 -12.237 409 1HD LYS 51 2HD LYS 51 -2.327 0.190 -11.038 410 2HD LYS 51 1HD LYS 51 -3.966 -0.333 -11.276 411 1HE LYS 51 1HE LYS 51 -3.776 0.279 -13.788 412 2HE LYS 51 2HE LYS 51 -2.065 0.647 -13.517 413 1HZ LYS 51 1HZ LYS 51 -3.402 -1.978 -13.030 414 2HZ LYS 51 2HZ LYS 51 -1.878 -1.680 -12.566 415 H VAL 52 H VAL 52 -3.053 0.544 -7.018 416 HA VAL 52 HA VAL 52 -3.432 2.471 -4.820 417 HB VAL 52 HB VAL 52 -2.127 0.612 -3.447 418 1HG1 VAL 52 3HG2 VAL 52 -4.660 0.873 -3.545 419 2HG1 VAL 52 1HG2 VAL 52 -4.686 -0.225 -4.944 420 3HG1 VAL 52 2HG2 VAL 52 -4.162 -0.816 -3.348 421 1HG2 VAL 52 2HG1 VAL 52 -1.017 -0.722 -5.187 422 2HG2 VAL 52 3HG1 VAL 52 -2.143 -1.638 -4.143 423 3HG2 VAL 52 1HG1 VAL 52 -2.619 -1.236 -5.798 424 H THR 53 H THR 53 -1.808 2.923 -3.075 425 HA THR 53 HA THR 53 0.911 3.402 -4.082 426 HB THR 53 HB THR 53 -0.206 5.865 -2.734 427 HG1 THR 53 HG1 THR 53 -0.650 5.169 -5.123 428 1HG2 THR 53 1HG2 THR 53 2.533 5.076 -2.824 429 2HG2 THR 53 2HG2 THR 53 2.417 6.003 -4.306 430 3HG2 THR 53 3HG2 THR 53 2.011 6.747 -2.757 431 H VAL 54 H VAL 54 1.985 2.125 -2.895 432 HA VAL 54 HA VAL 54 1.054 1.457 -0.185 433 HB VAL 54 HB VAL 54 3.004 -0.389 -1.668 434 1HG1 VAL 54 3HG2 VAL 54 1.828 -0.909 0.524 435 2HG1 VAL 54 1HG2 VAL 54 0.319 -1.097 -0.353 436 3HG1 VAL 54 2HG2 VAL 54 1.685 -2.195 -0.679 437 1HG2 VAL 54 2HG1 VAL 54 1.363 -0.019 -3.655 438 2HG2 VAL 54 3HG1 VAL 54 1.565 -1.663 -3.073 439 3HG2 VAL 54 1HG1 VAL 54 0.101 -0.706 -2.663 440 H GLU 55 H GLU 55 2.168 2.854 1.042 441 HA GLU 55 HA GLU 55 5.039 3.459 0.369 442 1HB GLU 55 1HB GLU 55 3.383 5.114 1.578 443 2HB GLU 55 2HB GLU 55 3.708 4.162 3.024 444 1HG GLU 55 1HG GLU 55 6.140 4.756 2.953 445 2HG GLU 55 2HG GLU 55 5.920 5.609 1.439 446 HE2 GLU 55 HE2 GLU 55 4.832 8.472 2.856 447 H LEU 56 H LEU 56 6.851 2.821 1.744 448 HA LEU 56 HA LEU 56 6.547 0.632 3.727 449 1HB LEU 56 1HB LEU 56 7.690 -1.234 2.291 450 2HB LEU 56 2HB LEU 56 5.995 -0.938 2.222 451 HG LEU 56 HG LEU 56 6.047 0.147 0.213 452 1HD1 LEU 56 3HD2 LEU 56 7.984 1.487 -0.022 453 2HD1 LEU 56 1HD2 LEU 56 9.068 0.074 -0.131 454 3HD1 LEU 56 2HD2 LEU 56 7.852 0.401 -1.389 455 1HD2 LEU 56 3HD1 LEU 56 5.904 -2.300 0.037 456 2HD2 LEU 56 1HD1 LEU 56 6.793 -1.714 -1.366 457 3HD2 LEU 56 2HD1 LEU 56 7.677 -2.457 -0.006 458 H THR 57 H THR 57 9.240 -0.141 2.074 459 HA THR 57 HA THR 57 11.005 1.938 3.433 460 HB THR 57 HB THR 57 12.410 -0.384 3.940 461 HG1 THR 57 HG1 THR 57 9.720 -1.038 4.368 462 1HG2 THR 57 2HG2 THR 57 12.109 1.393 5.622 463 2HG2 THR 57 3HG2 THR 57 10.457 0.787 5.953 464 3HG2 THR 57 1HG2 THR 57 11.882 -0.236 6.293 465 HA PRO 58 HA PRO 58 14.206 1.393 0.170 466 1HB PRO 58 1HB PRO 58 16.010 1.253 2.503 467 2HB PRO 58 2HB PRO 58 16.261 2.013 0.952 468 1HG PRO 58 1HG PRO 58 15.405 3.555 2.928 469 2HG PRO 58 2HG PRO 58 14.458 3.700 1.456 470 1HD PRO 58 1HD PRO 58 13.747 2.067 3.982 471 2HD PRO 58 2HD PRO 58 12.713 3.104 3.019 472 H TYR 59 H TYR 59 14.755 -0.583 2.964 473 HA TYR 59 HA TYR 59 16.024 -2.884 1.420 474 1HB TYR 59 1HB TYR 59 16.682 -1.628 3.811 475 2HB TYR 59 2HB TYR 59 15.671 -2.805 4.480 476 HD1 TYR 59 HD1 TYR 59 16.318 -5.268 4.382 477 HD2 TYR 59 HD2 TYR 59 18.857 -2.242 2.680 478 HE1 TYR 59 HE1 TYR 59 18.184 -6.868 4.302 479 HE2 TYR 59 HE2 TYR 59 20.718 -3.860 2.609 480 HH TYR 59 HH TYR 59 20.300 -7.203 3.710 481 H ASP 60 H ASP 60 13.217 -2.515 3.475 482 HA ASP 60 HA ASP 60 12.702 -5.541 3.516 483 1HB ASP 60 1HB ASP 60 13.076 -4.302 5.671 484 2HB ASP 60 2HB ASP 60 11.666 -3.308 5.360 485 HD1 ASP 60 HD2 ASP 60 10.750 -7.160 5.901 486 H LEU 61 H LEU 61 12.030 -4.952 1.191 487 HA LEU 61 HA LEU 61 9.289 -4.167 0.799 488 1HB LEU 61 1HB LEU 61 10.953 -5.874 -1.139 489 2HB LEU 61 2HB LEU 61 9.550 -4.928 -1.500 490 HG LEU 61 HG LEU 61 11.103 -3.560 -2.404 491 1HD1 LEU 61 2HD1 LEU 61 9.947 -2.112 -0.705 492 2HD1 LEU 61 3HD1 LEU 61 11.261 -2.418 0.453 493 3HD1 LEU 61 1HD1 LEU 61 11.598 -1.557 -1.052 494 1HD2 LEU 61 3HD2 LEU 61 13.114 -4.933 -1.757 495 2HD2 LEU 61 1HD2 LEU 61 13.425 -3.188 -1.681 496 3HD2 LEU 61 2HD2 LEU 61 13.168 -4.101 -0.190 497 H SER 62 H SER 62 9.123 -6.028 2.777 498 HA SER 62 HA SER 62 7.374 -8.221 1.687 499 1HB SER 62 1HB SER 62 7.608 -9.058 3.989 500 2HB SER 62 2HB SER 62 9.190 -8.694 3.344 501 HG SER 62 HG SER 62 7.663 -6.955 5.047 502 H LYS 63 H LYS 63 6.908 -5.092 3.292 503 HA LYS 63 HA LYS 63 3.937 -5.690 3.583 504 1HB LYS 63 1HB LYS 63 5.925 -4.553 5.618 505 2HB LYS 63 2HB LYS 63 4.277 -4.125 5.670 506 1HG LYS 63 1HG LYS 63 4.912 -7.090 5.470 507 2HG LYS 63 2HG LYS 63 5.186 -6.280 6.973 508 1HD LYS 63 2HD LYS 63 2.459 -6.203 5.554 509 2HD LYS 63 1HD LYS 63 2.894 -7.445 6.716 510 1HE LYS 63 1HE LYS 63 3.179 -5.742 8.540 511 2HE LYS 63 2HE LYS 63 2.865 -4.420 7.413 512 1HZ LYS 63 1HZ LYS 63 0.925 -6.615 7.958 513 2HZ LYS 63 2HZ LYS 63 0.653 -5.322 6.999 514 H GLY 64 H GLY 64 2.894 -3.394 4.183 515 1HA GLY 64 1HA GLY 64 3.986 -0.917 3.138 516 2HA GLY 64 2HA GLY 64 3.226 -1.671 1.796 517 H ARG 65 H ARG 65 2.518 0.830 2.469 518 HA ARG 65 HA ARG 65 -0.400 0.293 2.877 519 1HB ARG 65 1HB ARG 65 -0.769 1.986 4.619 520 2HB ARG 65 2HB ARG 65 0.351 0.762 5.110 521 1HG ARG 65 2HG ARG 65 2.073 2.168 5.571 522 2HG ARG 65 1HG ARG 65 1.838 3.125 4.138 523 1HD ARG 65 1HD ARG 65 1.457 4.575 6.026 524 2HD ARG 65 2HD ARG 65 -0.098 4.348 5.212 525 1HH1 ARG 65 2HH2 ARG 65 0.418 5.706 7.434 526 2HH1 ARG 65 1HH2 ARG 65 -0.327 5.738 9.122 527 1HH2 ARG 65 1HH1 ARG 65 -0.935 2.411 8.915 528 2HH2 ARG 65 2HH1 ARG 65 -1.076 3.947 9.933 529 H ILE 66 H ILE 66 -0.575 1.632 0.333 530 HA ILE 66 HA ILE 66 -1.167 3.345 -0.484 531 HB ILE 66 HB ILE 66 -3.652 2.296 0.815 532 1HG1 ILE 66 1HG1 ILE 66 -4.213 1.155 -1.199 533 2HG1 ILE 66 2HG1 ILE 66 -2.894 1.898 -2.071 534 1HG2 ILE 66 2HG2 ILE 66 -4.289 4.570 -0.058 535 2HG2 ILE 66 3HG2 ILE 66 -3.631 4.178 -1.650 536 3HG2 ILE 66 1HG2 ILE 66 -5.053 3.321 -1.006 537 1HD1 ILE 66 3HD1 ILE 66 -2.512 -0.157 0.213 538 2HD1 ILE 66 1HD1 ILE 66 -2.606 -0.601 -1.483 539 3HD1 ILE 66 2HD1 ILE 66 -1.256 0.400 -0.912 540 H VAL 67 H VAL 67 0.034 4.957 0.491 541 HA VAL 67 HA VAL 67 -1.302 7.017 2.145 542 HB VAL 67 HB VAL 67 0.780 8.315 1.694 543 1HG1 VAL 67 3HG2 VAL 67 0.613 6.926 3.702 544 2HG1 VAL 67 1HG2 VAL 67 1.276 5.525 2.836 545 3HG1 VAL 67 2HG2 VAL 67 2.276 6.968 3.112 546 1HG2 VAL 67 2HG1 VAL 67 1.540 7.509 -0.529 547 2HG2 VAL 67 3HG1 VAL 67 2.812 7.355 0.694 548 3HG2 VAL 67 1HG1 VAL 67 1.918 5.919 0.160 549 H PHE 68 H PHE 68 -1.488 6.745 -1.274 550 HA PHE 68 HA PHE 68 -1.615 9.700 -1.811 551 1HB PHE 68 1HB PHE 68 -0.584 8.203 -3.444 552 2HB PHE 68 2HB PHE 68 -2.038 7.245 -3.592 553 HD1 PHE 68 HD1 PHE 68 -0.844 10.825 -4.095 554 HD2 PHE 68 HD2 PHE 68 -3.517 7.711 -5.385 555 HE1 PHE 68 HE1 PHE 68 -1.653 12.263 -5.926 556 HE2 PHE 68 HE2 PHE 68 -4.311 9.160 -7.211 557 HZ PHE 68 HZ PHE 68 -3.391 11.439 -7.476 558 H ARG 69 H ARG 69 -3.297 10.920 -1.431 559 HA ARG 69 HA ARG 69 -6.122 9.960 -1.198 560 1HB ARG 69 1HB ARG 69 -4.733 12.687 -0.963 561 2HB ARG 69 2HB ARG 69 -6.440 12.666 -1.296 562 1HG ARG 69 1HG ARG 69 -6.936 11.272 0.697 563 2HG ARG 69 2HG ARG 69 -5.231 11.248 1.154 564 1HD ARG 69 1HD ARG 69 -5.216 13.721 1.511 565 2HD ARG 69 2HD ARG 69 -6.778 13.895 0.745 566 1HH1 ARG 69 2HH2 ARG 69 -4.538 12.744 3.209 567 2HH1 ARG 69 1HH2 ARG 69 -4.799 12.528 5.022 568 1HH2 ARG 69 1HH1 ARG 69 -8.147 12.855 4.599 569 2HH2 ARG 69 2HH1 ARG 69 -6.755 12.562 5.772 570 H SER 70 H SER 70 -6.613 9.023 -3.184 571 HA SER 70 HA SER 70 -6.657 10.546 -5.729 572 1HB SER 70 1HB SER 70 -8.320 8.039 -5.053 573 2HB SER 70 2HB SER 70 -7.971 8.673 -6.651 574 HG SER 70 HG SER 70 -5.699 8.330 -5.124 575 H ARG 71 H ARG 71 -9.048 10.477 -3.159 576 HA ARG 71 HA ARG 71 -11.202 11.798 -4.859 577 1HB ARG 71 2HB ARG 71 -11.079 10.556 -2.018 578 2HB ARG 71 1HB ARG 71 -12.348 11.627 -2.461 579 1HG ARG 71 1HG ARG 71 -13.190 9.424 -2.719 580 2HG ARG 71 2HG ARG 71 -13.133 10.145 -4.314 581 1HD ARG 71 1HD ARG 71 -11.115 8.818 -4.924 582 2HD ARG 71 2HD ARG 71 -10.936 8.239 -3.265 583 1HH1 ARG 71 2HH2 ARG 71 -10.736 6.294 -3.269 584 2HH1 ARG 71 1HH2 ARG 71 -11.521 4.625 -3.402 585 1HH2 ARG 71 1HH1 ARG 71 -14.225 5.895 -4.913 586 2HH2 ARG 71 2HH1 ARG 71 -13.321 4.399 -4.278 No H/Q in entry = 586 Start of MODEL 18 1 1H ALA 1 1H ALA 1 22.236 8.633 5.436 2 2H ALA 1 2H ALA 1 22.824 7.151 5.095 3 HA ALA 1 HA ALA 1 23.032 9.459 3.242 4 1HB ALA 1 2HB ALA 1 24.900 7.809 3.100 5 2HB ALA 1 3HB ALA 1 23.738 6.468 2.925 6 3HB ALA 1 1HB ALA 1 23.871 7.702 1.653 7 H LYS 2 H LYS 2 20.788 9.832 3.815 8 HA LYS 2 HA LYS 2 18.447 9.687 3.571 9 1HB LYS 2 1HB LYS 2 17.672 9.845 1.340 10 2HB LYS 2 2HB LYS 2 19.178 10.710 1.508 11 1HG LYS 2 1HG LYS 2 20.401 8.845 0.314 12 2HG LYS 2 2HG LYS 2 18.919 7.926 0.166 13 1HD LYS 2 1HD LYS 2 19.356 10.743 -1.046 14 2HD LYS 2 2HD LYS 2 19.660 9.233 -1.896 15 1HE LYS 2 1HE LYS 2 17.213 8.562 -1.632 16 2HE LYS 2 2HE LYS 2 16.882 10.096 -0.820 17 1HZ LYS 2 1HZ LYS 2 17.983 9.827 -3.579 18 2HZ LYS 2 2HZ LYS 2 17.724 11.252 -2.827 19 H GLU 3 H GLU 3 18.757 7.564 4.990 20 HA GLU 3 HA GLU 3 17.306 5.212 3.773 21 1HB GLU 3 1HB GLU 3 18.688 5.798 6.456 22 2HB GLU 3 2HB GLU 3 17.546 4.503 6.338 23 1HG GLU 3 1HG GLU 3 19.778 3.576 6.025 24 2HG GLU 3 2HG GLU 3 18.846 3.338 4.559 25 HE2 GLU 3 HE2 GLU 3 20.765 5.425 2.632 26 H ASP 4 H ASP 4 15.665 6.988 3.313 27 HA ASP 4 HA ASP 4 13.497 7.195 5.401 28 1HB ASP 4 1HB ASP 4 13.863 8.365 2.556 29 2HB ASP 4 2HB ASP 4 12.551 8.757 3.602 30 HD1 ASP 4 HD2 ASP 4 14.294 10.841 5.679 31 H ASN 5 H ASN 5 11.253 7.080 4.608 32 HA ASN 5 HA ASN 5 10.700 4.254 3.614 33 1HB ASN 5 1HB ASN 5 8.856 6.353 4.916 34 2HB ASN 5 2HB ASN 5 8.272 4.860 4.211 35 1HD2 ASN 5 1HD2 ASN 5 8.542 3.890 7.642 36 2HD2 ASN 5 2HD2 ASN 5 7.475 4.833 6.469 37 H ILE 6 H ILE 6 10.440 3.991 1.410 38 HA ILE 6 HA ILE 6 9.876 6.310 -0.357 39 HB ILE 6 HB ILE 6 10.158 3.444 -1.389 40 1HG1 ILE 6 1HG1 ILE 6 12.561 4.951 -0.312 41 2HG1 ILE 6 2HG1 ILE 6 11.835 3.477 0.213 42 1HG2 ILE 6 2HG2 ILE 6 9.755 5.359 -3.052 43 2HG2 ILE 6 3HG2 ILE 6 11.256 6.143 -2.494 44 3HG2 ILE 6 1HG2 ILE 6 11.299 4.579 -3.334 45 1HD1 ILE 6 1HD1 ILE 6 12.381 2.262 -1.923 46 2HD1 ILE 6 2HD1 ILE 6 13.252 3.703 -2.506 47 3HD1 ILE 6 3HD1 ILE 6 13.827 2.836 -1.065 48 H GLU 7 H GLU 7 8.302 6.316 -1.827 49 HA GLU 7 HA GLU 7 5.925 4.497 -1.503 50 1HB GLU 7 1HB GLU 7 4.221 6.005 -2.288 51 2HB GLU 7 2HB GLU 7 4.934 6.404 -0.757 52 1HG GLU 7 2HG GLU 7 6.257 8.087 -1.825 53 2HG GLU 7 1HG GLU 7 5.820 7.579 -3.444 54 HE2 GLU 7 HE2 GLU 7 3.745 10.429 -1.789 55 H MET 8 H MET 8 5.343 3.419 -2.823 56 HA MET 8 HA MET 8 6.982 3.346 -5.508 57 1HB MET 8 1HB MET 8 8.340 3.018 -3.386 58 2HB MET 8 2HB MET 8 7.286 1.699 -2.880 59 1HG MET 8 2HG MET 8 8.265 0.232 -4.275 60 2HG MET 8 1HG MET 8 8.668 1.467 -5.499 61 1HE MET 8 2HE MET 8 11.004 0.026 -5.644 62 2HE MET 8 1HE MET 8 12.115 -0.180 -4.254 63 3HE MET 8 3HE MET 8 10.523 -0.999 -4.255 64 H GLN 9 H GLN 9 4.349 1.866 -3.973 65 HA GLN 9 HA GLN 9 4.422 -0.532 -5.409 66 1HB GLN 9 1HB GLN 9 3.223 0.430 -3.167 67 2HB GLN 9 2HB GLN 9 1.972 -0.451 -3.989 68 1HG GLN 9 1HG GLN 9 2.903 -1.961 -2.494 69 2HG GLN 9 2HG GLN 9 3.723 -2.433 -3.951 70 1HE2 GLN 9 2HE2 GLN 9 6.021 -1.371 -0.883 71 2HE2 GLN 9 1HE2 GLN 9 4.308 -2.029 -0.817 72 H GLY 10 H GLY 10 1.649 -1.116 -5.770 73 1HA GLY 10 2HA GLY 10 1.892 -0.927 -8.846 74 2HA GLY 10 1HA GLY 10 1.961 -2.464 -8.005 75 H THR 11 H THR 11 0.239 -3.685 -8.093 76 HA THR 11 HA THR 11 -2.493 -2.367 -8.694 77 HB THR 11 HB THR 11 -1.561 -5.183 -9.649 78 HG1 THR 11 HG1 THR 11 -2.029 -2.946 -11.309 79 1HG2 THR 11 3HG2 THR 11 -4.032 -3.476 -10.436 80 2HG2 THR 11 1HG2 THR 11 -3.520 -4.995 -11.214 81 3HG2 THR 11 2HG2 THR 11 -4.035 -5.006 -9.520 82 H VAL 12 H VAL 12 -4.149 -2.911 -7.377 83 HA VAL 12 HA VAL 12 -3.631 -4.230 -4.865 84 HB VAL 12 HB VAL 12 -6.385 -3.995 -6.231 85 1HG1 VAL 12 1HG2 VAL 12 -5.611 -4.875 -3.397 86 2HG1 VAL 12 2HG2 VAL 12 -7.238 -4.273 -3.808 87 3HG1 VAL 12 3HG2 VAL 12 -6.615 -5.742 -4.556 88 1HG2 VAL 12 1HG1 VAL 12 -5.082 -2.184 -4.172 89 2HG2 VAL 12 2HG1 VAL 12 -5.675 -1.754 -5.800 90 3HG2 VAL 12 3HG1 VAL 12 -6.827 -2.213 -4.550 91 H LEU 13 H LEU 13 -2.775 -6.677 -5.901 92 HA LEU 13 HA LEU 13 -4.528 -8.354 -7.372 93 1HB LEU 13 1HB LEU 13 -2.182 -9.047 -5.609 94 2HB LEU 13 2HB LEU 13 -3.087 -10.256 -6.467 95 HG LEU 13 HG LEU 13 -1.095 -9.450 -7.500 96 1HD1 LEU 13 2HD1 LEU 13 -2.905 -10.561 -8.956 97 2HD1 LEU 13 3HD1 LEU 13 -3.500 -8.932 -9.387 98 3HD1 LEU 13 1HD1 LEU 13 -1.888 -9.449 -9.905 99 1HD2 LEU 13 3HD2 LEU 13 -1.069 -7.037 -7.268 100 2HD2 LEU 13 1HD2 LEU 13 -0.943 -7.441 -8.993 101 3HD2 LEU 13 2HD2 LEU 13 -2.481 -6.864 -8.338 102 H GLU 14 H GLU 14 -4.251 -8.338 -3.871 103 HA GLU 14 HA GLU 14 -7.226 -9.233 -3.811 104 1HB GLU 14 1HB GLU 14 -5.976 -11.064 -3.002 105 2HB GLU 14 2HB GLU 14 -5.012 -10.052 -1.919 106 1HG GLU 14 1HG GLU 14 -6.568 -9.902 -0.239 107 2HG GLU 14 2HG GLU 14 -7.936 -10.140 -1.306 108 HE2 GLU 14 HE2 GLU 14 -7.974 -13.533 -0.944 109 H THR 15 H THR 15 -8.314 -8.494 -2.145 110 HA THR 15 HA THR 15 -7.770 -5.668 -0.906 111 HB THR 15 HB THR 15 -10.271 -5.399 -0.565 112 HG1 THR 15 HG1 THR 15 -10.431 -6.781 -3.025 113 1HG2 THR 15 2HG2 THR 15 -8.726 -4.012 -2.036 114 2HG2 THR 15 3HG2 THR 15 -9.199 -5.018 -3.412 115 3HG2 THR 15 1HG2 THR 15 -10.418 -4.005 -2.568 116 H LEU 16 H LEU 16 -7.002 -6.508 0.857 117 HA LEU 16 HA LEU 16 -7.720 -9.187 1.908 118 1HB LEU 16 1HB LEU 16 -5.696 -6.930 2.368 119 2HB LEU 16 2HB LEU 16 -5.969 -7.901 3.715 120 HG LEU 16 HG LEU 16 -5.083 -8.954 1.020 121 1HD1 LEU 16 2HD1 LEU 16 -3.404 -7.583 2.091 122 2HD1 LEU 16 3HD1 LEU 16 -3.517 -8.530 3.606 123 3HD1 LEU 16 1HD1 LEU 16 -2.892 -9.281 2.108 124 1HD2 LEU 16 3HD2 LEU 16 -6.282 -10.826 2.172 125 2HD2 LEU 16 1HD2 LEU 16 -4.560 -11.118 1.982 126 3HD2 LEU 16 2HD2 LEU 16 -5.191 -10.649 3.583 127 HA PRO 17 HA PRO 17 -10.765 -9.579 4.781 128 1HB PRO 17 2HB PRO 17 -9.609 -9.053 7.354 129 2HB PRO 17 1HB PRO 17 -9.932 -10.609 6.545 130 1HG PRO 17 2HG PRO 17 -7.482 -8.950 6.835 131 2HG PRO 17 1HG PRO 17 -7.657 -10.731 6.799 132 1HD PRO 17 1HD PRO 17 -6.885 -9.413 4.797 133 2HD PRO 17 2HD PRO 17 -8.022 -10.729 4.436 134 H ASN 18 H ASN 18 -9.605 -6.441 6.191 135 HA ASN 18 HA ASN 18 -12.501 -5.526 6.398 136 1HB ASN 18 1HB ASN 18 -9.887 -4.408 7.317 137 2HB ASN 18 2HB ASN 18 -11.348 -3.477 7.332 138 1HD2 ASN 18 1HD2 ASN 18 -11.110 -4.695 10.658 139 2HD2 ASN 18 2HD2 ASN 18 -10.244 -3.517 9.552 140 H THR 19 H THR 19 -9.832 -3.624 5.273 141 HA THR 19 HA THR 19 -10.490 -3.673 2.299 142 HB THR 19 HB THR 19 -11.196 -1.419 4.087 143 HG1 THR 19 HG1 THR 19 -12.622 -3.136 3.178 144 1HG2 THR 19 3HG2 THR 19 -10.770 -1.234 1.003 145 2HG2 THR 19 1HG2 THR 19 -11.584 0.012 1.971 146 3HG2 THR 19 2HG2 THR 19 -9.851 -0.295 2.204 147 H MET 20 H MET 20 -8.377 -4.798 3.271 148 HA MET 20 HA MET 20 -6.143 -2.878 2.792 149 1HB MET 20 1HB MET 20 -6.277 -5.687 4.066 150 2HB MET 20 2HB MET 20 -4.780 -4.768 3.883 151 1HG MET 20 1HG MET 20 -5.902 -2.881 5.184 152 2HG MET 20 2HG MET 20 -7.279 -3.839 5.397 153 1HE MET 20 1HE MET 20 -6.905 -6.570 6.240 154 2HE MET 20 3HE MET 20 -6.341 -6.589 7.938 155 3HE MET 20 2HE MET 20 -7.623 -5.449 7.440 156 H PHE 21 H PHE 21 -4.095 -4.263 1.746 157 HA PHE 21 HA PHE 21 -5.094 -4.882 -1.165 158 1HB PHE 21 1HB PHE 21 -2.904 -2.993 -0.471 159 2HB PHE 21 2HB PHE 21 -3.680 -3.501 -1.993 160 HD1 PHE 21 HD2 PHE 21 -5.934 -3.044 -2.404 161 HD2 PHE 21 HD1 PHE 21 -4.205 -1.706 1.001 162 HE1 PHE 21 HE2 PHE 21 -8.218 -1.966 -1.730 163 HE2 PHE 21 HE1 PHE 21 -6.607 -1.199 1.713 164 HZ PHE 21 HZ PHE 21 -8.275 -0.449 0.009 165 H ARG 22 H ARG 22 -4.205 -7.018 -1.411 166 HA ARG 22 HA ARG 22 -1.344 -7.710 -0.432 167 1HB ARG 22 1HB ARG 22 -3.090 -9.592 -0.260 168 2HB ARG 22 2HB ARG 22 -2.909 -9.636 -2.007 169 1HG ARG 22 1HG ARG 22 -1.228 -11.159 -1.407 170 2HG ARG 22 2HG ARG 22 -0.313 -9.716 -1.633 171 1HD ARG 22 1HD ARG 22 -0.754 -9.419 1.058 172 2HD ARG 22 2HD ARG 22 -1.064 -11.152 0.977 173 1HH1 ARG 22 2HH2 ARG 22 0.193 -12.144 2.080 174 2HH1 ARG 22 1HH2 ARG 22 1.878 -12.808 2.422 175 1HH2 ARG 22 1HH1 ARG 22 3.224 -10.686 0.149 176 2HH2 ARG 22 2HH1 ARG 22 3.516 -12.029 1.377 177 H VAL 23 H VAL 23 -0.128 -6.454 -1.629 178 HA VAL 23 HA VAL 23 -1.004 -5.747 -4.474 179 HB VAL 23 HB VAL 23 1.133 -4.145 -3.041 180 1HG1 VAL 23 3HG2 VAL 23 0.476 -3.519 -5.449 181 2HG1 VAL 23 1HG2 VAL 23 -1.167 -3.220 -4.854 182 3HG1 VAL 23 2HG2 VAL 23 0.180 -2.234 -4.253 183 1HG2 VAL 23 1HG1 VAL 23 -1.883 -3.965 -2.664 184 2HG2 VAL 23 2HG1 VAL 23 -0.704 -4.111 -1.346 185 3HG2 VAL 23 3HG1 VAL 23 -0.877 -2.576 -2.218 186 H GLU 24 H GLU 24 0.231 -5.829 -6.128 187 HA GLU 24 HA GLU 24 2.950 -7.318 -6.015 188 1HB GLU 24 1HB GLU 24 1.123 -8.486 -7.386 189 2HB GLU 24 2HB GLU 24 1.137 -7.085 -8.471 190 1HG GLU 24 1HG GLU 24 3.549 -7.512 -9.039 191 2HG GLU 24 2HG GLU 24 3.638 -8.831 -7.880 192 HE2 GLU 24 HE2 GLU 24 2.394 -9.516 -11.499 193 H LEU 25 H LEU 25 4.438 -5.533 -5.796 194 HA LEU 25 HA LEU 25 4.185 -3.044 -6.348 195 1HB LEU 25 1HB LEU 25 6.226 -5.328 -5.985 196 2HB LEU 25 2HB LEU 25 6.899 -4.308 -7.049 197 HG LEU 25 HG LEU 25 5.664 -3.180 -4.541 198 1HD1 LEU 25 2HD1 LEU 25 7.036 -5.077 -3.741 199 2HD1 LEU 25 3HD1 LEU 25 8.469 -4.406 -4.583 200 3HD1 LEU 25 1HD1 LEU 25 7.711 -3.503 -3.252 201 1HD2 LEU 25 2HD2 LEU 25 8.053 -2.559 -6.410 202 2HD2 LEU 25 3HD2 LEU 25 6.593 -1.539 -6.102 203 3HD2 LEU 25 1HD2 LEU 25 7.843 -1.735 -4.845 204 H GLU 26 H GLU 26 6.077 -2.053 -7.496 205 HA GLU 26 HA GLU 26 5.476 -1.905 -10.495 206 1HB GLU 26 1HB GLU 26 6.569 0.152 -10.687 207 2HB GLU 26 2HB GLU 26 5.660 0.290 -9.201 208 1HG GLU 26 1HG GLU 26 7.816 -0.085 -7.864 209 2HG GLU 26 2HG GLU 26 8.720 -0.259 -9.362 210 HE1 GLU 26 HE2 GLU 26 8.366 3.156 -10.191 211 H ASN 27 H ASN 27 7.921 -3.279 -8.388 212 HA ASN 27 HA ASN 27 9.646 -4.053 -10.758 213 1HB ASN 27 2HB ASN 27 11.256 -4.593 -9.078 214 2HB ASN 27 1HB ASN 27 10.723 -2.959 -8.760 215 1HD2 ASN 27 1HD2 ASN 27 11.085 -4.447 -5.537 216 2HD2 ASN 27 2HD2 ASN 27 12.017 -3.601 -6.870 217 H GLY 28 H GLY 28 6.805 -5.120 -9.608 218 1HA GLY 28 2HA GLY 28 5.714 -7.219 -9.826 219 2HA GLY 28 1HA GLY 28 7.222 -7.919 -10.318 220 H HIS 29 H HIS 29 7.317 -6.465 -7.125 221 HA HIS 29 HA HIS 29 7.376 -9.318 -5.950 222 1HB HIS 29 1HB HIS 29 8.509 -6.666 -4.928 223 2HB HIS 29 2HB HIS 29 8.319 -8.038 -3.874 224 HD2 HIS 29 HD2 HIS 29 10.009 -7.516 -7.440 225 HE1 HIS 29 HE1 HIS 29 12.378 -10.118 -5.199 226 HE2 HIS 29 HE2 HIS 29 12.248 -8.960 -7.502 227 H VAL 30 H VAL 30 5.839 -10.144 -4.676 228 HA VAL 30 HA VAL 30 3.404 -8.522 -4.147 229 HB VAL 30 HB VAL 30 4.021 -11.503 -3.882 230 1HG1 VAL 30 2HG2 VAL 30 1.332 -10.160 -3.176 231 2HG1 VAL 30 3HG2 VAL 30 1.589 -11.915 -3.392 232 3HG1 VAL 30 1HG2 VAL 30 2.378 -11.064 -2.059 233 1HG2 VAL 30 2HG1 VAL 30 3.571 -10.534 -6.201 234 2HG2 VAL 30 3HG1 VAL 30 2.270 -11.640 -5.713 235 3HG2 VAL 30 1HG1 VAL 30 2.024 -9.877 -5.625 236 H VAL 31 H VAL 31 2.903 -7.551 -2.507 237 HA VAL 31 HA VAL 31 4.067 -8.117 0.297 238 HB VAL 31 HB VAL 31 4.209 -5.662 0.732 239 1HG1 VAL 31 3HG2 VAL 31 6.253 -6.931 0.051 240 2HG1 VAL 31 1HG2 VAL 31 6.011 -6.404 -1.627 241 3HG1 VAL 31 2HG2 VAL 31 6.314 -5.204 -0.334 242 1HG2 VAL 31 2HG1 VAL 31 2.636 -4.750 -1.025 243 2HG2 VAL 31 3HG1 VAL 31 4.237 -3.979 -1.049 244 3HG2 VAL 31 1HG1 VAL 31 3.815 -5.184 -2.288 245 H THR 32 H THR 32 2.950 -7.432 2.069 246 HA THR 32 HA THR 32 -0.112 -7.326 1.787 247 HB THR 32 HB THR 32 1.765 -7.878 4.176 248 HG1 THR 32 HG1 THR 32 0.985 -9.460 2.452 249 1HG2 THR 32 3HG2 THR 32 -1.313 -7.616 4.280 250 2HG2 THR 32 1HG2 THR 32 -0.295 -8.348 5.556 251 3HG2 THR 32 2HG2 THR 32 -0.136 -6.624 5.165 252 H ALA 33 H ALA 33 -0.931 -5.177 1.598 253 HA ALA 33 HA ALA 33 0.097 -3.199 3.704 254 1HB ALA 33 2HB ALA 33 0.987 -2.891 1.404 255 2HB ALA 33 3HB ALA 33 -0.674 -2.814 0.735 256 3HB ALA 33 1HB ALA 33 -0.100 -1.572 1.881 257 H HIS 34 H HIS 34 -1.140 -1.789 4.604 258 HA HIS 34 HA HIS 34 -4.180 -1.816 4.152 259 1HB HIS 34 1HB HIS 34 -4.168 -0.253 6.329 260 2HB HIS 34 2HB HIS 34 -4.346 -1.952 6.433 261 HD2 HIS 34 HD2 HIS 34 -1.594 0.801 6.868 262 HE1 HIS 34 HE1 HIS 34 -0.245 -2.543 8.978 263 HE2 HIS 34 HE2 HIS 34 0.365 -0.093 8.463 264 H ILE 35 H ILE 35 -5.148 0.270 3.981 265 HA ILE 35 HA ILE 35 -3.444 2.349 2.768 266 HB ILE 35 HB ILE 35 -5.294 3.463 2.483 267 1HG1 ILE 35 1HG1 ILE 35 -7.599 2.594 4.106 268 2HG1 ILE 35 2HG1 ILE 35 -6.281 2.909 5.177 269 1HG2 ILE 35 2HG2 ILE 35 -5.815 1.505 1.202 270 2HG2 ILE 35 3HG2 ILE 35 -6.836 0.879 2.531 271 3HG2 ILE 35 1HG2 ILE 35 -7.288 2.342 1.648 272 1HD1 ILE 35 1HD1 ILE 35 -5.918 5.175 3.843 273 2HD1 ILE 35 2HD1 ILE 35 -7.531 4.871 3.145 274 3HD1 ILE 35 3HD1 ILE 35 -7.304 5.089 4.902 275 H SER 36 H SER 36 -3.212 4.669 3.720 276 HA SER 36 HA SER 36 -2.422 4.748 6.598 277 1HB SER 36 1HB SER 36 -1.850 6.973 6.098 278 2HB SER 36 2HB SER 36 -1.449 6.090 4.640 279 HG SER 36 HG SER 36 -4.042 7.170 4.854 280 H GLY 37 H GLY 37 -4.204 3.872 7.552 281 1HA GLY 37 1HA GLY 37 -6.728 3.944 7.924 282 2HA GLY 37 2HA GLY 37 -5.876 4.408 9.358 283 H LYS 38 H LYS 38 -5.283 7.053 8.584 284 HA LYS 38 HA LYS 38 -7.510 8.588 9.542 285 1HB LYS 38 2HB LYS 38 -5.182 9.611 7.890 286 2HB LYS 38 1HB LYS 38 -6.152 10.469 9.060 287 1HG LYS 38 2HG LYS 38 -4.016 8.323 9.592 288 2HG LYS 38 1HG LYS 38 -4.092 10.047 10.008 289 1HD LYS 38 1HD LYS 38 -5.899 9.695 11.674 290 2HD LYS 38 2HD LYS 38 -5.905 7.964 11.321 291 1HE LYS 38 1HE LYS 38 -3.473 7.791 12.073 292 2HE LYS 38 2HE LYS 38 -3.464 9.523 12.437 293 1HZ LYS 38 1HZ LYS 38 -5.330 7.541 13.670 294 2HZ LYS 38 2HZ LYS 38 -5.307 9.136 14.010 295 H MET 39 H MET 39 -6.573 8.023 6.178 296 HA MET 39 HA MET 39 -8.826 9.800 5.193 297 1HB MET 39 1HB MET 39 -8.260 8.917 2.951 298 2HB MET 39 2HB MET 39 -7.121 10.080 3.631 299 1HG MET 39 2HG MET 39 -5.480 8.404 3.847 300 2HG MET 39 1HG MET 39 -6.665 7.151 3.487 301 1HE MET 39 2HE MET 39 -6.130 5.964 1.312 302 2HE MET 39 1HE MET 39 -5.482 6.714 -0.155 303 3HE MET 39 3HE MET 39 -4.438 6.556 1.281 304 H ARG 40 H ARG 40 -8.525 6.239 5.439 305 HA ARG 40 HA ARG 40 -10.578 5.165 4.275 306 1HB ARG 40 1HB ARG 40 -10.327 5.197 7.378 307 2HB ARG 40 2HB ARG 40 -11.395 4.155 6.511 308 1HG ARG 40 1HG ARG 40 -9.406 3.170 5.232 309 2HG ARG 40 2HG ARG 40 -8.371 4.046 6.364 310 1HD ARG 40 1HD ARG 40 -9.391 2.843 8.306 311 2HD ARG 40 2HD ARG 40 -10.449 1.933 7.236 312 1HH1 ARG 40 2HH2 ARG 40 -10.032 0.943 5.356 313 2HH1 ARG 40 1HH2 ARG 40 -9.064 -0.428 4.575 314 1HH2 ARG 40 1HH1 ARG 40 -6.590 -0.014 6.827 315 2HH2 ARG 40 2HH1 ARG 40 -7.271 -0.972 5.383 316 H LYS 41 H LYS 41 -11.380 7.693 6.615 317 HA LYS 41 HA LYS 41 -14.376 7.457 5.889 318 1HB LYS 41 1HB LYS 41 -12.845 8.580 8.337 319 2HB LYS 41 2HB LYS 41 -14.375 9.236 7.958 320 1HG LYS 41 1HG LYS 41 -14.107 6.177 8.256 321 2HG LYS 41 2HG LYS 41 -14.134 7.213 9.662 322 1HD LYS 41 1HD LYS 41 -16.352 6.435 9.398 323 2HD LYS 41 2HD LYS 41 -16.379 8.150 9.019 324 1HE LYS 41 1HE LYS 41 -16.502 7.634 6.553 325 2HE LYS 41 2HE LYS 41 -16.310 5.899 6.880 326 1HZ LYS 41 1HZ LYS 41 -18.661 6.567 6.622 327 2HZ LYS 41 2HZ LYS 41 -18.553 7.599 7.888 328 H ASN 42 H ASN 42 -12.587 8.325 4.137 329 HA ASN 42 HA ASN 42 -13.921 10.761 2.968 330 1HB ASN 42 1HB ASN 42 -11.890 11.499 4.502 331 2HB ASN 42 2HB ASN 42 -10.873 10.537 3.479 332 1HD2 ASN 42 1HD2 ASN 42 -10.490 13.875 2.268 333 2HD2 ASN 42 2HD2 ASN 42 -10.038 12.837 3.711 334 H TYR 43 H TYR 43 -11.176 8.561 2.687 335 HA TYR 43 HA TYR 43 -11.478 8.003 -0.247 336 1HB TYR 43 2HB TYR 43 -9.304 8.565 0.793 337 2HB TYR 43 1HB TYR 43 -9.496 7.189 1.836 338 HD1 TYR 43 HD2 TYR 43 -8.916 4.894 1.075 339 HD2 TYR 43 HD1 TYR 43 -8.630 8.258 -1.589 340 HE1 TYR 43 HE2 TYR 43 -7.611 3.539 -0.493 341 HE2 TYR 43 HE1 TYR 43 -7.325 6.893 -3.148 342 HH TYR 43 HH TYR 43 -6.367 4.921 -3.527 343 H ILE 44 H ILE 44 -13.745 6.906 1.067 344 HA ILE 44 HA ILE 44 -13.584 4.041 0.974 345 HB ILE 44 HB ILE 44 -16.039 5.542 0.249 346 1HG1 ILE 44 1HG1 ILE 44 -14.856 5.126 3.043 347 2HG1 ILE 44 2HG1 ILE 44 -15.146 6.631 2.251 348 1HG2 ILE 44 1HG2 ILE 44 -16.118 3.020 0.006 349 2HG2 ILE 44 2HG2 ILE 44 -15.679 2.844 1.723 350 3HG2 ILE 44 3HG2 ILE 44 -17.231 3.579 1.256 351 1HD1 ILE 44 2HD1 ILE 44 -17.667 6.289 2.342 352 2HD1 ILE 44 3HD1 ILE 44 -17.398 4.791 3.274 353 3HD1 ILE 44 1HD1 ILE 44 -16.893 6.354 3.946 354 H ARG 45 H ARG 45 -12.067 4.408 -0.809 355 HA ARG 45 HA ARG 45 -13.030 4.472 -3.535 356 1HB ARG 45 2HB ARG 45 -10.249 4.635 -2.516 357 2HB ARG 45 1HB ARG 45 -10.686 4.790 -4.202 358 1HG ARG 45 1HG ARG 45 -11.596 6.677 -1.991 359 2HG ARG 45 2HG ARG 45 -10.347 6.991 -3.177 360 1HD ARG 45 1HD ARG 45 -12.001 7.026 -5.035 361 2HD ARG 45 2HD ARG 45 -13.323 6.636 -3.942 362 1HH1 ARG 45 2HH2 ARG 45 -14.083 7.409 -2.212 363 2HH1 ARG 45 1HH2 ARG 45 -14.539 8.913 -1.243 364 1HH2 ARG 45 1HH1 ARG 45 -12.411 10.799 -3.054 365 2HH2 ARG 45 2HH1 ARG 45 -13.681 10.729 -1.709 366 H ILE 46 H ILE 46 -10.698 2.358 -2.761 367 HA ILE 46 HA ILE 46 -11.011 1.182 -5.492 368 HB ILE 46 HB ILE 46 -8.741 0.513 -5.142 369 1HG1 ILE 46 1HG1 ILE 46 -8.536 2.342 -2.680 370 2HG1 ILE 46 2HG1 ILE 46 -9.269 0.827 -2.375 371 1HG2 ILE 46 2HG2 ILE 46 -9.102 2.821 -6.098 372 2HG2 ILE 46 3HG2 ILE 46 -8.970 3.496 -4.447 373 3HG2 ILE 46 1HG2 ILE 46 -7.587 2.685 -5.140 374 1HD1 ILE 46 3HD1 ILE 46 -6.638 0.895 -4.146 375 2HD1 ILE 46 1HD1 ILE 46 -6.531 0.554 -2.395 376 3HD1 ILE 46 2HD1 ILE 46 -7.413 -0.509 -3.521 377 H LEU 47 H LEU 47 -10.160 -0.939 -5.932 378 HA LEU 47 HA LEU 47 -11.629 -3.055 -4.308 379 1HB LEU 47 1HB LEU 47 -13.261 -1.881 -5.883 380 2HB LEU 47 2HB LEU 47 -12.283 -2.373 -7.250 381 HG LEU 47 HG LEU 47 -12.890 -4.768 -6.867 382 1HD1 LEU 47 1HD2 LEU 47 -14.568 -3.722 -4.471 383 2HD1 LEU 47 2HD2 LEU 47 -14.644 -5.370 -5.137 384 3HD1 LEU 47 3HD2 LEU 47 -13.165 -4.805 -4.346 385 1HD2 LEU 47 2HD1 LEU 47 -14.360 -3.330 -8.280 386 2HD2 LEU 47 3HD1 LEU 47 -15.300 -4.574 -7.438 387 3HD2 LEU 47 1HD1 LEU 47 -15.337 -2.892 -6.859 388 H THR 48 H THR 48 -11.413 -5.178 -5.774 389 HA THR 48 HA THR 48 -8.536 -5.879 -5.697 390 HB THR 48 HB THR 48 -10.880 -7.474 -6.634 391 HG1 THR 48 HG1 THR 48 -10.664 -8.411 -4.544 392 1HG2 THR 48 2HG2 THR 48 -8.113 -8.429 -5.717 393 2HG2 THR 48 3HG2 THR 48 -9.489 -9.524 -6.013 394 3HG2 THR 48 1HG2 THR 48 -8.765 -8.614 -7.353 395 H GLY 49 H GLY 49 -7.716 -4.383 -7.096 396 1HA GLY 49 1HA GLY 49 -6.299 -4.985 -9.228 397 2HA GLY 49 2HA GLY 49 -7.806 -5.124 -10.132 398 H ASP 50 H ASP 50 -7.305 -2.690 -7.765 399 HA ASP 50 HA ASP 50 -7.251 -0.486 -9.835 400 1HB ASP 50 1HB ASP 50 -7.947 -0.629 -6.936 401 2HB ASP 50 2HB ASP 50 -7.528 0.892 -7.649 402 HD1 ASP 50 HD2 ASP 50 -10.367 1.202 -9.540 403 H LYS 51 H LYS 51 -5.687 0.992 -9.966 404 HA LYS 51 HA LYS 51 -3.016 0.301 -9.250 405 1HB LYS 51 1HB LYS 51 -3.853 2.828 -10.662 406 2HB LYS 51 2HB LYS 51 -2.281 2.045 -10.652 407 1HG LYS 51 2HG LYS 51 -4.875 1.019 -11.839 408 2HG LYS 51 1HG LYS 51 -3.404 1.454 -12.686 409 1HD LYS 51 2HD LYS 51 -2.636 -0.719 -11.013 410 2HD LYS 51 1HD LYS 51 -4.274 -1.096 -11.359 411 1HE LYS 51 1HE LYS 51 -3.102 -2.271 -13.066 412 2HE LYS 51 2HE LYS 51 -3.756 -0.872 -13.909 413 1HZ LYS 51 1HZ LYS 51 -0.973 -1.065 -12.805 414 2HZ LYS 51 2HZ LYS 51 -1.575 0.241 -13.565 415 H VAL 52 H VAL 52 -2.616 0.333 -7.461 416 HA VAL 52 HA VAL 52 -2.695 2.692 -5.503 417 HB VAL 52 HB VAL 52 -2.132 1.042 -3.745 418 1HG1 VAL 52 3HG2 VAL 52 -4.551 1.378 -4.034 419 2HG1 VAL 52 1HG2 VAL 52 -4.605 0.056 -5.243 420 3HG1 VAL 52 2HG2 VAL 52 -4.209 -0.292 -3.552 421 1HG2 VAL 52 2HG1 VAL 52 -1.016 -0.741 -5.214 422 2HG2 VAL 52 3HG1 VAL 52 -2.206 -1.386 -4.036 423 3HG2 VAL 52 1HG1 VAL 52 -2.621 -1.234 -5.765 424 H THR 53 H THR 53 -0.928 3.366 -4.520 425 HA THR 53 HA THR 53 1.924 2.385 -5.209 426 HB THR 53 HB THR 53 1.028 5.378 -5.409 427 HG1 THR 53 HG1 THR 53 2.609 4.720 -7.344 428 1HG2 THR 53 3HG2 THR 53 3.245 5.198 -4.140 429 2HG2 THR 53 1HG2 THR 53 3.920 4.286 -5.520 430 3HG2 THR 53 2HG2 THR 53 3.406 5.971 -5.713 431 H VAL 54 H VAL 54 2.506 1.845 -3.417 432 HA VAL 54 HA VAL 54 1.228 2.705 -0.768 433 HB VAL 54 HB VAL 54 2.099 -0.052 -1.738 434 1HG1 VAL 54 3HG2 VAL 54 1.993 -0.479 0.346 435 2HG1 VAL 54 1HG2 VAL 54 0.309 0.028 0.496 436 3HG1 VAL 54 2HG2 VAL 54 0.729 -1.318 -0.537 437 1HG2 VAL 54 1HG1 VAL 54 -0.620 1.223 -2.204 438 2HG2 VAL 54 2HG1 VAL 54 0.401 0.637 -3.445 439 3HG2 VAL 54 3HG1 VAL 54 -0.344 -0.553 -2.409 440 H GLU 55 H GLU 55 2.547 3.071 0.988 441 HA GLU 55 HA GLU 55 5.388 3.490 0.148 442 1HB GLU 55 1HB GLU 55 3.865 5.203 1.549 443 2HB GLU 55 2HB GLU 55 4.324 4.173 2.902 444 1HG GLU 55 2HG GLU 55 6.688 4.713 2.395 445 2HG GLU 55 1HG GLU 55 6.225 5.777 1.088 446 HE1 GLU 55 HE2 GLU 55 5.191 8.326 3.125 447 H LEU 56 H LEU 56 7.163 2.574 1.203 448 HA LEU 56 HA LEU 56 6.776 0.418 3.291 449 1HB LEU 56 1HB LEU 56 7.619 -1.374 2.182 450 2HB LEU 56 2HB LEU 56 6.496 -0.709 1.040 451 HG LEU 56 HG LEU 56 9.499 -0.204 1.009 452 1HD1 LEU 56 2HD1 LEU 56 8.828 -2.709 0.615 453 2HD1 LEU 56 3HD1 LEU 56 7.902 -2.197 -0.797 454 3HD1 LEU 56 1HD1 LEU 56 9.666 -1.994 -0.776 455 1HD2 LEU 56 1HD2 LEU 56 7.413 0.383 -1.132 456 2HD2 LEU 56 2HD2 LEU 56 8.513 1.515 -0.301 457 3HD2 LEU 56 3HD2 LEU 56 9.173 0.359 -1.459 458 H THR 57 H THR 57 9.485 -0.515 3.280 459 HA THR 57 HA THR 57 10.646 1.892 4.693 460 HB THR 57 HB THR 57 11.894 -0.011 6.002 461 HG1 THR 57 HG1 THR 57 9.529 -1.389 5.349 462 1HG2 THR 57 3HG2 THR 57 10.530 1.513 7.189 463 2HG2 THR 57 1HG2 THR 57 9.050 0.573 6.779 464 3HG2 THR 57 2HG2 THR 57 10.349 -0.150 7.797 465 HA PRO 58 HA PRO 58 14.947 1.431 3.008 466 1HB PRO 58 2HB PRO 58 14.962 1.065 6.093 467 2HB PRO 58 1HB PRO 58 16.299 1.468 5.108 468 1HG PRO 58 1HG PRO 58 14.767 3.521 5.997 469 2HG PRO 58 2HG PRO 58 14.875 3.540 4.229 470 1HD PRO 58 1HD PRO 58 12.627 2.337 5.966 471 2HD PRO 58 2HD PRO 58 12.453 3.236 4.495 472 H TYR 59 H TYR 59 14.042 -0.849 5.515 473 HA TYR 59 HA TYR 59 16.034 -2.989 4.447 474 1HB TYR 59 1HB TYR 59 16.319 -1.755 6.858 475 2HB TYR 59 2HB TYR 59 15.030 -2.743 7.367 476 HD1 TYR 59 HD1 TYR 59 18.540 -2.796 6.084 477 HD2 TYR 59 HD2 TYR 59 15.377 -5.184 7.756 478 HE1 TYR 59 HE1 TYR 59 20.135 -4.617 6.521 479 HE2 TYR 59 HE2 TYR 59 16.991 -6.998 8.188 480 HH TYR 59 HH TYR 59 20.403 -6.686 7.283 481 H ASP 60 H ASP 60 13.006 -2.398 5.792 482 HA ASP 60 HA ASP 60 12.202 -5.413 5.797 483 1HB ASP 60 1HB ASP 60 12.089 -3.976 7.916 484 2HB ASP 60 2HB ASP 60 10.719 -3.125 7.216 485 HD1 ASP 60 HD2 ASP 60 10.311 -6.909 8.425 486 H LEU 61 H LEU 61 12.320 -4.820 3.339 487 HA LEU 61 HA LEU 61 10.067 -3.751 2.046 488 1HB LEU 61 1HB LEU 61 12.256 -5.729 1.154 489 2HB LEU 61 2HB LEU 61 11.028 -5.187 0.048 490 HG LEU 61 HG LEU 61 11.669 -2.782 0.362 491 1HD1 LEU 61 3HD1 LEU 61 14.088 -3.897 1.954 492 2HD1 LEU 61 1HD1 LEU 61 13.961 -2.249 1.293 493 3HD1 LEU 61 2HD1 LEU 61 12.852 -2.758 2.555 494 1HD2 LEU 61 3HD2 LEU 61 12.517 -4.211 -1.518 495 2HD2 LEU 61 1HD2 LEU 61 13.738 -3.012 -1.026 496 3HD2 LEU 61 2HD2 LEU 61 13.910 -4.716 -0.523 497 H SER 62 H SER 62 9.689 -6.754 3.545 498 HA SER 62 HA SER 62 7.793 -7.959 1.577 499 1HB SER 62 1HB SER 62 9.060 -9.275 3.319 500 2HB SER 62 2HB SER 62 8.094 -8.520 4.595 501 HG SER 62 HG SER 62 6.229 -9.334 3.165 502 H LYS 63 H LYS 63 7.199 -5.217 3.559 503 HA LYS 63 HA LYS 63 4.179 -5.654 3.413 504 1HB LYS 63 1HB LYS 63 6.010 -4.549 5.599 505 2HB LYS 63 2HB LYS 63 4.380 -4.052 5.508 506 1HG LYS 63 1HG LYS 63 4.793 -7.054 5.365 507 2HG LYS 63 2HG LYS 63 5.186 -6.279 6.855 508 1HD LYS 63 2HD LYS 63 2.448 -5.968 5.482 509 2HD LYS 63 1HD LYS 63 2.797 -7.216 6.664 510 1HE LYS 63 1HE LYS 63 3.248 -5.502 8.446 511 2HE LYS 63 2HE LYS 63 3.014 -4.184 7.294 512 1HZ LYS 63 1HZ LYS 63 0.928 -6.217 7.925 513 2HZ LYS 63 2HZ LYS 63 0.738 -4.945 6.923 514 H GLY 64 H GLY 64 3.125 -3.456 3.850 515 1HA GLY 64 1HA GLY 64 4.305 -0.993 2.561 516 2HA GLY 64 2HA GLY 64 3.178 -1.813 1.540 517 H ARG 65 H ARG 65 2.891 0.839 2.427 518 HA ARG 65 HA ARG 65 0.037 0.407 3.251 519 1HB ARG 65 1HB ARG 65 0.028 2.079 5.001 520 2HB ARG 65 2HB ARG 65 1.336 0.965 5.242 521 1HG ARG 65 1HG ARG 65 2.618 2.742 5.743 522 2HG ARG 65 2HG ARG 65 2.812 2.919 4.018 523 1HD ARG 65 1HD ARG 65 0.843 4.597 4.014 524 2HD ARG 65 2HD ARG 65 0.704 4.372 5.770 525 1HH1 ARG 65 2HH2 ARG 65 0.435 6.559 5.444 526 2HH1 ARG 65 1HH2 ARG 65 1.235 8.177 5.845 527 1HH2 ARG 65 1HH1 ARG 65 4.284 6.753 5.457 528 2HH2 ARG 65 2HH1 ARG 65 3.324 8.277 5.888 529 H ILE 66 H ILE 66 -0.617 1.183 0.859 530 HA ILE 66 HA ILE 66 -0.746 3.036 -0.418 531 HB ILE 66 HB ILE 66 -3.550 3.181 0.663 532 1HG1 ILE 66 1HG1 ILE 66 -3.422 0.910 1.083 533 2HG1 ILE 66 2HG1 ILE 66 -4.379 1.157 -0.362 534 1HG2 ILE 66 2HG2 ILE 66 -2.953 4.359 -1.478 535 2HG2 ILE 66 3HG2 ILE 66 -2.513 2.806 -2.218 536 3HG2 ILE 66 1HG2 ILE 66 -4.197 3.128 -1.735 537 1HD1 ILE 66 3HD1 ILE 66 -1.462 0.369 -0.480 538 2HD1 ILE 66 1HD1 ILE 66 -2.656 -0.833 -0.319 539 3HD1 ILE 66 2HD1 ILE 66 -2.675 0.184 -1.776 540 H VAL 67 H VAL 67 0.121 4.983 -0.259 541 HA VAL 67 HA VAL 67 -1.055 7.146 1.448 542 HB VAL 67 HB VAL 67 0.825 8.469 0.240 543 1HG1 VAL 67 3HG2 VAL 67 0.880 7.846 2.660 544 2HG1 VAL 67 1HG2 VAL 67 1.580 6.263 2.259 545 3HG1 VAL 67 2HG2 VAL 67 2.503 7.753 1.960 546 1HG2 VAL 67 2HG1 VAL 67 1.575 6.827 -1.541 547 2HG2 VAL 67 3HG1 VAL 67 2.870 7.300 -0.426 548 3HG2 VAL 67 1HG1 VAL 67 2.112 5.710 -0.262 549 H PHE 68 H PHE 68 -0.619 6.692 -2.096 550 HA PHE 68 HA PHE 68 -1.898 7.356 -3.892 551 1HB PHE 68 1HB PHE 68 -3.764 6.449 -2.054 552 2HB PHE 68 2HB PHE 68 -4.389 8.035 -2.291 553 HD1 PHE 68 HD1 PHE 68 -3.658 4.764 -3.880 554 HD2 PHE 68 HD2 PHE 68 -5.343 8.660 -4.567 555 HE1 PHE 68 HE1 PHE 68 -4.861 3.903 -5.849 556 HE2 PHE 68 HE2 PHE 68 -6.525 7.787 -6.547 557 HZ PHE 68 HZ PHE 68 -6.289 5.407 -7.185 558 H ARG 69 H ARG 69 -2.453 9.926 -1.424 559 HA ARG 69 HA ARG 69 -2.862 11.967 -3.621 560 1HB ARG 69 1HB ARG 69 -3.116 13.640 -1.908 561 2HB ARG 69 2HB ARG 69 -4.225 12.320 -1.728 562 1HG ARG 69 1HG ARG 69 -1.680 12.238 0.004 563 2HG ARG 69 2HG ARG 69 -2.835 13.509 0.339 564 1HD ARG 69 1HD ARG 69 -4.692 11.818 0.618 565 2HD ARG 69 2HD ARG 69 -3.568 10.510 0.292 566 1HH1 ARG 69 2HH2 ARG 69 -3.008 9.218 1.535 567 2HH1 ARG 69 1HH2 ARG 69 -2.637 8.655 3.251 568 1HH2 ARG 69 1HH1 ARG 69 -2.759 11.841 4.368 569 2HH2 ARG 69 2HH1 ARG 69 -2.415 10.059 4.753 570 H SER 70 H SER 70 -0.863 11.154 -4.485 571 HA SER 70 HA SER 70 1.214 13.225 -4.679 572 1HB SER 70 1HB SER 70 2.014 10.701 -3.101 573 2HB SER 70 2HB SER 70 3.205 11.705 -3.940 574 HG SER 70 HG SER 70 1.341 12.871 -2.144 575 H ARG 71 H ARG 71 1.137 9.686 -4.949 576 HA ARG 71 HA ARG 71 1.119 9.846 -8.009 577 1HB ARG 71 2HB ARG 71 3.434 9.389 -7.314 578 2HB ARG 71 1HB ARG 71 2.931 8.166 -6.156 579 1HG ARG 71 1HG ARG 71 2.095 6.709 -8.015 580 2HG ARG 71 2HG ARG 71 2.606 7.872 -9.220 581 1HD ARG 71 1HD ARG 71 4.906 7.375 -8.986 582 2HD ARG 71 2HD ARG 71 4.784 7.036 -7.257 583 1HH1 ARG 71 2HH2 ARG 71 6.448 5.779 -7.633 584 2HH1 ARG 71 1HH2 ARG 71 6.934 3.997 -7.701 585 1HH2 ARG 71 1HH1 ARG 71 3.872 3.134 -8.832 586 2HH2 ARG 71 2HH1 ARG 71 5.525 2.582 -8.248 No H/Q in entry = 586 Start of MODEL 19 1 1H ALA 1 1H ALA 1 16.963 6.707 -1.568 2 2H ALA 1 2H ALA 1 17.353 7.668 -2.823 3 HA ALA 1 HA ALA 1 18.694 5.915 -3.836 4 1HB ALA 1 3HB ALA 1 19.625 7.751 -2.400 5 2HB ALA 1 1HB ALA 1 19.357 6.760 -0.938 6 3HB ALA 1 2HB ALA 1 20.533 6.244 -2.161 7 H LYS 2 H LYS 2 16.742 4.239 -3.485 8 HA LYS 2 HA LYS 2 16.311 1.925 -3.362 9 1HB LYS 2 1HB LYS 2 19.253 1.550 -2.608 10 2HB LYS 2 2HB LYS 2 18.124 0.247 -2.911 11 1HG LYS 2 1HG LYS 2 17.746 1.093 -5.277 12 2HG LYS 2 2HG LYS 2 18.912 2.387 -4.989 13 1HD LYS 2 1HD LYS 2 20.695 0.651 -4.475 14 2HD LYS 2 2HD LYS 2 19.562 -0.642 -4.821 15 1HE LYS 2 1HE LYS 2 20.400 1.531 -6.875 16 2HE LYS 2 2HE LYS 2 21.198 -0.032 -6.704 17 1HZ LYS 2 1HZ LYS 2 19.457 -0.035 -8.443 18 2HZ LYS 2 2HZ LYS 2 18.300 0.275 -7.324 19 H GLU 3 H GLU 3 18.335 2.322 -0.481 20 HA GLU 3 HA GLU 3 16.228 0.773 1.131 21 1HB GLU 3 1HB GLU 3 17.894 0.395 2.818 22 2HB GLU 3 2HB GLU 3 18.459 -0.135 1.249 23 1HG GLU 3 1HG GLU 3 19.940 1.958 1.088 24 2HG GLU 3 2HG GLU 3 19.379 2.471 2.671 25 HE1 GLU 3 HE2 GLU 3 21.269 0.160 4.387 26 H ASP 4 H ASP 4 15.101 3.039 0.545 27 HA ASP 4 HA ASP 4 15.022 4.643 3.157 28 1HB ASP 4 1HB ASP 4 14.685 5.397 0.170 29 2HB ASP 4 2HB ASP 4 14.116 6.414 1.426 30 HD1 ASP 4 HD2 ASP 4 17.245 7.344 2.584 31 H ASN 5 H ASN 5 12.869 5.866 3.202 32 HA ASN 5 HA ASN 5 10.647 3.759 3.331 33 1HB ASN 5 1HB ASN 5 10.879 6.560 4.569 34 2HB ASN 5 2HB ASN 5 9.344 5.759 4.437 35 1HD2 ASN 5 1HD2 ASN 5 9.953 3.722 7.248 36 2HD2 ASN 5 2HD2 ASN 5 8.855 4.084 5.808 37 H ILE 6 H ILE 6 10.649 3.835 0.801 38 HA ILE 6 HA ILE 6 9.752 6.368 -0.509 39 HB ILE 6 HB ILE 6 10.136 3.737 -2.015 40 1HG1 ILE 6 2HG1 ILE 6 12.478 5.303 -0.898 41 2HG1 ILE 6 1HG1 ILE 6 11.971 3.672 -0.634 42 1HG2 ILE 6 2HG2 ILE 6 9.392 5.821 -3.315 43 2HG2 ILE 6 3HG2 ILE 6 10.868 6.668 -2.781 44 3HG2 ILE 6 1HG2 ILE 6 10.958 5.257 -3.856 45 1HD1 ILE 6 3HD1 ILE 6 12.459 2.984 -3.009 46 2HD1 ILE 6 1HD1 ILE 6 13.112 4.611 -3.331 47 3HD1 ILE 6 2HD1 ILE 6 13.900 3.551 -2.140 48 H GLU 7 H GLU 7 8.053 6.480 -1.836 49 HA GLU 7 HA GLU 7 5.825 4.482 -1.529 50 1HB GLU 7 1HB GLU 7 4.014 6.107 -2.099 51 2HB GLU 7 2HB GLU 7 4.767 6.197 -0.515 52 1HG GLU 7 1HG GLU 7 6.128 8.046 -1.129 53 2HG GLU 7 2HG GLU 7 5.811 7.880 -2.831 54 HE2 GLU 7 HE2 GLU 7 3.608 10.339 -0.745 55 H MET 8 H MET 8 5.351 3.488 -2.844 56 HA MET 8 HA MET 8 6.552 3.897 -5.735 57 1HB MET 8 1HB MET 8 8.271 3.544 -3.937 58 2HB MET 8 2HB MET 8 7.456 2.105 -3.327 59 1HG MET 8 1HG MET 8 8.280 0.787 -4.957 60 2HG MET 8 2HG MET 8 8.329 2.105 -6.148 61 1HE MET 8 1HE MET 8 10.720 1.018 -6.872 62 2HE MET 8 3HE MET 8 12.090 0.797 -5.740 63 3HE MET 8 2HE MET 8 10.605 -0.186 -5.554 64 H GLN 9 H GLN 9 4.399 2.015 -4.021 65 HA GLN 9 HA GLN 9 4.422 -0.218 -5.495 66 1HB GLN 9 1HB GLN 9 3.403 0.637 -3.116 67 2HB GLN 9 2HB GLN 9 2.116 -0.222 -3.901 68 1HG GLN 9 1HG GLN 9 3.247 -1.715 -2.453 69 2HG GLN 9 2HG GLN 9 3.870 -2.186 -3.999 70 1HE2 GLN 9 2HE2 GLN 9 6.774 -1.763 -1.617 71 2HE2 GLN 9 1HE2 GLN 9 5.379 -2.934 -1.892 72 H GLY 10 H GLY 10 1.684 -0.988 -5.401 73 1HA GLY 10 1HA GLY 10 2.013 -1.741 -8.320 74 2HA GLY 10 2HA GLY 10 1.595 -2.685 -7.086 75 H THR 11 H THR 11 0.215 -3.676 -8.195 76 HA THR 11 HA THR 11 -2.521 -2.404 -8.794 77 HB THR 11 HB THR 11 -1.296 -4.927 -10.109 78 HG1 THR 11 HG1 THR 11 -0.569 -2.797 -10.808 79 1HG2 THR 11 3HG2 THR 11 -4.000 -3.499 -10.636 80 2HG2 THR 11 1HG2 THR 11 -3.319 -4.821 -11.609 81 3HG2 THR 11 2HG2 THR 11 -3.797 -5.123 -9.924 82 H VAL 12 H VAL 12 -4.120 -3.348 -7.607 83 HA VAL 12 HA VAL 12 -3.352 -4.532 -5.061 84 HB VAL 12 HB VAL 12 -6.159 -4.476 -6.325 85 1HG1 VAL 12 1HG2 VAL 12 -5.244 -5.215 -3.466 86 2HG1 VAL 12 2HG2 VAL 12 -6.928 -4.796 -3.880 87 3HG1 VAL 12 3HG2 VAL 12 -6.176 -6.217 -4.589 88 1HG2 VAL 12 1HG1 VAL 12 -4.762 -2.611 -4.368 89 2HG2 VAL 12 2HG1 VAL 12 -5.549 -2.205 -5.912 90 3HG2 VAL 12 3HG1 VAL 12 -6.537 -2.689 -4.542 91 H LEU 13 H LEU 13 -2.645 -6.998 -5.194 92 HA LEU 13 HA LEU 13 -4.061 -8.849 -7.132 93 1HB LEU 13 1HB LEU 13 -2.171 -9.804 -4.934 94 2HB LEU 13 2HB LEU 13 -2.875 -10.734 -6.227 95 HG LEU 13 HG LEU 13 -0.749 -8.550 -6.507 96 1HD1 LEU 13 1HD2 LEU 13 -0.729 -11.614 -7.013 97 2HD1 LEU 13 2HD2 LEU 13 0.639 -10.539 -7.328 98 3HD1 LEU 13 3HD2 LEU 13 0.066 -10.766 -5.664 99 1HD2 LEU 13 2HD1 LEU 13 -2.123 -10.143 -8.786 100 2HD2 LEU 13 3HD1 LEU 13 -2.174 -8.379 -8.542 101 3HD2 LEU 13 1HD1 LEU 13 -0.650 -9.164 -8.976 102 H GLU 14 H GLU 14 -4.163 -8.350 -3.603 103 HA GLU 14 HA GLU 14 -7.136 -9.106 -3.840 104 1HB GLU 14 1HB GLU 14 -5.883 -11.047 -3.032 105 2HB GLU 14 2HB GLU 14 -5.132 -10.100 -1.747 106 1HG GLU 14 1HG GLU 14 -6.672 -11.223 -0.587 107 2HG GLU 14 2HG GLU 14 -7.614 -9.819 -0.798 108 HE1 GLU 14 HE2 GLU 14 -9.916 -11.170 -2.978 109 H THR 15 H THR 15 -8.261 -8.441 -2.156 110 HA THR 15 HA THR 15 -7.608 -5.711 -0.791 111 HB THR 15 HB THR 15 -10.297 -5.582 -0.477 112 HG1 THR 15 HG1 THR 15 -10.781 -7.221 -1.906 113 1HG2 THR 15 2HG2 THR 15 -8.800 -3.784 -1.119 114 2HG2 THR 15 3HG2 THR 15 -8.734 -4.354 -2.803 115 3HG2 THR 15 1HG2 THR 15 -10.265 -3.744 -2.105 116 H LEU 16 H LEU 16 -7.003 -6.591 1.061 117 HA LEU 16 HA LEU 16 -7.820 -9.113 2.043 118 1HB LEU 16 1HB LEU 16 -5.903 -6.769 2.587 119 2HB LEU 16 2HB LEU 16 -6.179 -7.779 3.916 120 HG LEU 16 HG LEU 16 -4.285 -8.368 2.840 121 1HD1 LEU 16 2HD2 LEU 16 -5.575 -10.304 3.958 122 2HD1 LEU 16 3HD2 LEU 16 -6.279 -10.693 2.356 123 3HD1 LEU 16 1HD2 LEU 16 -4.524 -10.833 2.607 124 1HD2 LEU 16 1HD1 LEU 16 -4.823 -7.697 0.627 125 2HD2 LEU 16 2HD1 LEU 16 -4.274 -9.398 0.561 126 3HD2 LEU 16 3HD1 LEU 16 -5.989 -8.993 0.411 127 HA PRO 17 HA PRO 17 -10.859 -8.961 5.344 128 1HB PRO 17 2HB PRO 17 -10.255 -7.720 7.787 129 2HB PRO 17 1HB PRO 17 -9.586 -9.287 7.272 130 1HG PRO 17 1HG PRO 17 -8.512 -6.427 7.104 131 2HG PRO 17 2HG PRO 17 -7.772 -7.825 7.913 132 1HD PRO 17 2HD PRO 17 -7.177 -7.221 5.543 133 2HD PRO 17 1HD PRO 17 -7.455 -8.984 5.821 134 H ASN 18 H ASN 18 -10.259 -5.643 6.564 135 HA ASN 18 HA ASN 18 -12.949 -4.711 5.785 136 1HB ASN 18 1HB ASN 18 -10.588 -3.298 6.951 137 2HB ASN 18 2HB ASN 18 -12.115 -2.541 6.640 138 1HD2 ASN 18 1HD2 ASN 18 -12.350 -3.324 10.070 139 2HD2 ASN 18 2HD2 ASN 18 -12.281 -2.020 8.785 140 H THR 19 H THR 19 -10.051 -2.989 4.860 141 HA THR 19 HA THR 19 -10.433 -3.316 1.862 142 HB THR 19 HB THR 19 -11.179 -0.866 3.340 143 HG1 THR 19 HG1 THR 19 -12.585 -2.581 2.423 144 1HG2 THR 19 3HG2 THR 19 -10.415 -0.954 0.325 145 2HG2 THR 19 1HG2 THR 19 -11.257 0.400 1.107 146 3HG2 THR 19 2HG2 THR 19 -9.573 0.039 1.544 147 H MET 20 H MET 20 -8.447 -4.399 3.136 148 HA MET 20 HA MET 20 -6.052 -2.725 2.644 149 1HB MET 20 1HB MET 20 -6.689 -5.434 4.024 150 2HB MET 20 2HB MET 20 -5.045 -4.813 3.894 151 1HG MET 20 1HG MET 20 -5.850 -2.714 5.090 152 2HG MET 20 2HG MET 20 -7.415 -3.362 5.190 153 1HE MET 20 1HE MET 20 -3.656 -3.993 6.105 154 2HE MET 20 3HE MET 20 -3.729 -5.077 7.518 155 3HE MET 20 2HE MET 20 -4.016 -5.726 5.877 156 H PHE 21 H PHE 21 -4.024 -4.438 1.862 157 HA PHE 21 HA PHE 21 -4.862 -5.030 -1.085 158 1HB PHE 21 1HB PHE 21 -2.598 -3.088 -0.542 159 2HB PHE 21 2HB PHE 21 -3.415 -3.765 -2.003 160 HD1 PHE 21 HD2 PHE 21 -5.635 -3.340 -2.457 161 HD2 PHE 21 HD1 PHE 21 -3.964 -1.776 0.844 162 HE1 PHE 21 HE2 PHE 21 -7.763 -2.171 -2.055 163 HE2 PHE 21 HE1 PHE 21 -6.362 -1.086 1.378 164 HZ PHE 21 HZ PHE 21 -7.973 -0.535 -0.456 165 H ARG 22 H ARG 22 -3.878 -7.225 -1.212 166 HA ARG 22 HA ARG 22 -0.926 -7.491 -0.392 167 1HB ARG 22 1HB ARG 22 -2.211 -9.322 0.293 168 2HB ARG 22 2HB ARG 22 -2.631 -9.695 -1.379 169 1HG ARG 22 1HG ARG 22 -0.311 -10.290 -1.903 170 2HG ARG 22 2HG ARG 22 0.333 -9.444 -0.511 171 1HD ARG 22 1HD ARG 22 -1.426 -11.959 -0.303 172 2HD ARG 22 2HD ARG 22 0.347 -11.971 -0.308 173 1HH1 ARG 22 2HH2 ARG 22 -1.564 -13.265 1.214 174 2HH1 ARG 22 1HH2 ARG 22 -1.790 -13.540 3.024 175 1HH2 ARG 22 1HH1 ARG 22 -0.227 -10.618 3.704 176 2HH2 ARG 22 2HH1 ARG 22 -1.071 -12.124 4.354 177 H VAL 23 H VAL 23 0.172 -6.355 -1.746 178 HA VAL 23 HA VAL 23 -0.929 -5.823 -4.567 179 HB VAL 23 HB VAL 23 1.227 -4.121 -3.270 180 1HG1 VAL 23 3HG2 VAL 23 0.543 -3.676 -5.682 181 2HG1 VAL 23 1HG2 VAL 23 -1.057 -3.215 -5.132 182 3HG1 VAL 23 2HG2 VAL 23 0.364 -2.290 -4.595 183 1HG2 VAL 23 2HG1 VAL 23 -0.732 -4.109 -1.603 184 2HG2 VAL 23 3HG1 VAL 23 -0.649 -2.536 -2.404 185 3HG2 VAL 23 1HG1 VAL 23 -1.775 -3.744 -3.007 186 H GLU 24 H GLU 24 0.191 -5.880 -6.287 187 HA GLU 24 HA GLU 24 3.039 -7.137 -6.294 188 1HB GLU 24 1HB GLU 24 1.293 -8.418 -7.543 189 2HB GLU 24 2HB GLU 24 1.048 -7.062 -8.640 190 1HG GLU 24 1HG GLU 24 3.504 -7.277 -9.363 191 2HG GLU 24 2HG GLU 24 3.723 -8.603 -8.227 192 HE2 GLU 24 HE2 GLU 24 2.414 -9.352 -11.789 193 H LEU 25 H LEU 25 4.454 -5.374 -6.122 194 HA LEU 25 HA LEU 25 4.176 -2.755 -6.745 195 1HB LEU 25 1HB LEU 25 6.345 -4.900 -6.368 196 2HB LEU 25 2HB LEU 25 6.963 -3.739 -7.373 197 HG LEU 25 HG LEU 25 5.652 -3.012 -4.806 198 1HD1 LEU 25 2HD2 LEU 25 7.451 -4.552 -4.248 199 2HD1 LEU 25 3HD2 LEU 25 8.634 -3.646 -5.228 200 3HD1 LEU 25 1HD2 LEU 25 7.956 -2.923 -3.754 201 1HD2 LEU 25 3HD1 LEU 25 6.142 -1.041 -6.459 202 2HD2 LEU 25 1HD1 LEU 25 7.065 -0.908 -4.969 203 3HD2 LEU 25 2HD1 LEU 25 7.859 -1.494 -6.448 204 H GLU 26 H GLU 26 5.851 -1.637 -7.999 205 HA GLU 26 HA GLU 26 5.229 -1.846 -10.975 206 1HB GLU 26 1HB GLU 26 6.370 0.292 -11.299 207 2HB GLU 26 2HB GLU 26 5.223 0.418 -9.994 208 1HG GLU 26 1HG GLU 26 7.094 1.693 -9.268 209 2HG GLU 26 2HG GLU 26 7.168 0.243 -8.302 210 HE1 GLU 26 HE2 GLU 26 9.958 0.899 -11.114 211 H ASN 27 H ASN 27 7.756 -3.044 -8.957 212 HA ASN 27 HA ASN 27 9.407 -3.834 -11.381 213 1HB ASN 27 2HB ASN 27 11.097 -4.277 -9.731 214 2HB ASN 27 1HB ASN 27 10.516 -2.650 -9.486 215 1HD2 ASN 27 1HD2 ASN 27 11.033 -3.905 -6.200 216 2HD2 ASN 27 2HD2 ASN 27 11.742 -2.926 -7.580 217 H GLY 28 H GLY 28 6.673 -5.046 -10.063 218 1HA GLY 28 2HA GLY 28 5.733 -7.237 -10.324 219 2HA GLY 28 1HA GLY 28 7.296 -7.843 -10.750 220 H HIS 29 H HIS 29 7.695 -6.443 -7.757 221 HA HIS 29 HA HIS 29 7.631 -9.114 -6.345 222 1HB HIS 29 1HB HIS 29 9.555 -7.717 -6.046 223 2HB HIS 29 2HB HIS 29 8.588 -6.333 -5.545 224 HD2 HIS 29 HD2 HIS 29 8.941 -5.805 -3.124 225 HE1 HIS 29 HE1 HIS 29 8.908 -9.621 -1.453 226 HE2 HIS 29 HE2 HIS 29 8.990 -7.114 -0.812 227 H VAL 30 H VAL 30 6.489 -9.633 -4.537 228 HA VAL 30 HA VAL 30 3.727 -8.355 -4.348 229 HB VAL 30 HB VAL 30 4.662 -11.231 -3.910 230 1HG1 VAL 30 1HG2 VAL 30 1.923 -10.100 -3.059 231 2HG1 VAL 30 2HG2 VAL 30 2.341 -11.838 -3.190 232 3HG1 VAL 30 3HG2 VAL 30 3.156 -10.819 -1.991 233 1HG2 VAL 30 2HG1 VAL 30 3.966 -10.513 -6.247 234 2HG2 VAL 30 3HG1 VAL 30 2.802 -11.679 -5.583 235 3HG2 VAL 30 1HG1 VAL 30 2.410 -9.938 -5.620 236 H VAL 31 H VAL 31 3.200 -7.338 -2.748 237 HA VAL 31 HA VAL 31 4.541 -7.636 0.012 238 HB VAL 31 HB VAL 31 4.277 -5.169 0.393 239 1HG1 VAL 31 2HG2 VAL 31 6.476 -6.170 -0.338 240 2HG1 VAL 31 3HG2 VAL 31 6.147 -5.627 -1.986 241 3HG1 VAL 31 1HG2 VAL 31 6.300 -4.449 -0.638 242 1HG2 VAL 31 2HG1 VAL 31 2.523 -4.759 -1.480 243 2HG2 VAL 31 3HG1 VAL 31 3.795 -3.555 -1.297 244 3HG2 VAL 31 1HG1 VAL 31 3.870 -4.758 -2.633 245 H THR 32 H THR 32 3.406 -7.072 1.843 246 HA THR 32 HA THR 32 0.336 -7.293 1.652 247 HB THR 32 HB THR 32 2.262 -7.743 4.028 248 HG1 THR 32 HG1 THR 32 0.721 -9.455 2.348 249 1HG2 THR 32 3HG2 THR 32 -0.835 -7.944 3.954 250 2HG2 THR 32 1HG2 THR 32 0.209 -8.561 5.279 251 3HG2 THR 32 2HG2 THR 32 0.125 -6.827 4.937 252 H ALA 33 H ALA 33 -0.628 -5.182 1.569 253 HA ALA 33 HA ALA 33 0.185 -3.248 3.790 254 1HB ALA 33 3HB ALA 33 -0.661 -2.944 0.816 255 2HB ALA 33 1HB ALA 33 -0.262 -1.624 1.937 256 3HB ALA 33 2HB ALA 33 0.990 -2.805 1.508 257 H HIS 34 H HIS 34 -1.113 -1.666 4.360 258 HA HIS 34 HA HIS 34 -4.153 -1.834 3.915 259 1HB HIS 34 1HB HIS 34 -4.137 -0.073 5.979 260 2HB HIS 34 2HB HIS 34 -4.301 -1.748 6.224 261 HD2 HIS 34 HD2 HIS 34 -1.980 1.213 6.940 262 HE1 HIS 34 HE1 HIS 34 -0.140 -2.063 8.749 263 HE2 HIS 34 HE2 HIS 34 0.037 0.502 8.531 264 H ILE 35 H ILE 35 -5.146 0.495 3.932 265 HA ILE 35 HA ILE 35 -3.274 2.462 2.642 266 HB ILE 35 HB ILE 35 -4.966 3.551 2.038 267 1HG1 ILE 35 1HG1 ILE 35 -7.537 3.072 3.232 268 2HG1 ILE 35 2HG1 ILE 35 -6.426 3.108 4.565 269 1HG2 ILE 35 2HG2 ILE 35 -5.349 1.501 0.846 270 2HG2 ILE 35 3HG2 ILE 35 -6.627 1.046 2.016 271 3HG2 ILE 35 1HG2 ILE 35 -6.835 2.441 0.948 272 1HD1 ILE 35 3HD1 ILE 35 -5.476 5.361 3.358 273 2HD1 ILE 35 1HD1 ILE 35 -7.040 5.331 2.521 274 3HD1 ILE 35 2HD1 ILE 35 -6.946 5.454 4.300 275 H SER 36 H SER 36 -3.140 4.754 3.688 276 HA SER 36 HA SER 36 -2.381 4.538 6.559 277 1HB SER 36 1HB SER 36 -1.275 6.496 6.138 278 2HB SER 36 2HB SER 36 -1.404 5.965 4.494 279 HG SER 36 HG SER 36 -3.197 7.748 5.826 280 H GLY 37 H GLY 37 -5.159 4.018 6.280 281 1HA GLY 37 1HA GLY 37 -7.126 4.235 7.659 282 2HA GLY 37 2HA GLY 37 -6.113 5.041 8.828 283 H LYS 38 H LYS 38 -5.566 7.297 7.644 284 HA LYS 38 HA LYS 38 -7.777 9.070 8.255 285 1HB LYS 38 1HB LYS 38 -5.195 9.771 6.824 286 2HB LYS 38 2HB LYS 38 -6.229 10.794 7.781 287 1HG LYS 38 2HG LYS 38 -4.349 8.559 8.769 288 2HG LYS 38 1HG LYS 38 -4.340 10.312 9.019 289 1HD LYS 38 1HD LYS 38 -6.390 10.229 10.467 290 2HD LYS 38 2HD LYS 38 -6.462 8.492 10.240 291 1HE LYS 38 1HE LYS 38 -5.466 8.777 12.380 292 2HE LYS 38 2HE LYS 38 -4.143 8.267 11.330 293 1HZ LYS 38 1HZ LYS 38 -3.551 10.673 11.106 294 2HZ LYS 38 2HZ LYS 38 -3.445 10.155 12.657 295 H MET 39 H MET 39 -6.260 8.494 5.129 296 HA MET 39 HA MET 39 -8.287 10.061 3.613 297 1HB MET 39 1HB MET 39 -7.202 8.616 1.654 298 2HB MET 39 2HB MET 39 -6.521 10.121 2.233 299 1HG MET 39 2HG MET 39 -4.754 9.110 3.270 300 2HG MET 39 1HG MET 39 -5.425 7.502 3.124 301 1HE MET 39 3HE MET 39 -6.262 6.656 0.645 302 2HE MET 39 2HE MET 39 -5.013 6.617 -0.625 303 3HE MET 39 1HE MET 39 -4.673 5.910 0.984 304 H ARG 40 H ARG 40 -8.371 6.576 4.362 305 HA ARG 40 HA ARG 40 -10.255 5.477 2.847 306 1HB ARG 40 1HB ARG 40 -10.464 5.894 5.934 307 2HB ARG 40 2HB ARG 40 -11.495 4.824 5.062 308 1HG ARG 40 2HG ARG 40 -9.417 3.563 4.204 309 2HG ARG 40 1HG ARG 40 -8.490 4.515 5.370 310 1HD ARG 40 1HD ARG 40 -9.882 3.615 7.256 311 2HD ARG 40 2HD ARG 40 -10.776 2.593 6.138 312 1HH1 ARG 40 2HH2 ARG 40 -10.027 1.423 4.443 313 2HH1 ARG 40 1HH2 ARG 40 -8.962 -0.015 3.970 314 1HH2 ARG 40 1HH1 ARG 40 -6.947 0.576 6.615 315 2HH2 ARG 40 2HH1 ARG 40 -7.367 -0.505 5.162 316 H LYS 41 H LYS 41 -11.133 8.331 4.722 317 HA LYS 41 HA LYS 41 -14.001 8.299 3.573 318 1HB LYS 41 1HB LYS 41 -12.691 9.666 6.048 319 2HB LYS 41 2HB LYS 41 -14.210 10.166 5.441 320 1HG LYS 41 1HG LYS 41 -13.618 7.372 6.597 321 2HG LYS 41 2HG LYS 41 -14.436 8.688 7.398 322 1HD LYS 41 1HD LYS 41 -16.347 7.639 6.766 323 2HD LYS 41 2HD LYS 41 -16.143 8.522 5.264 324 1HE LYS 41 1HE LYS 41 -14.903 6.415 4.309 325 2HE LYS 41 2HE LYS 41 -15.241 5.597 5.833 326 1HZ LYS 41 1HZ LYS 41 -17.293 6.730 3.985 327 2HZ LYS 41 2HZ LYS 41 -17.645 6.055 5.429 328 H ASN 42 H ASN 42 -11.641 9.029 2.195 329 HA ASN 42 HA ASN 42 -12.792 11.407 0.685 330 1HB ASN 42 1HB ASN 42 -10.942 12.093 2.425 331 2HB ASN 42 2HB ASN 42 -9.820 11.130 1.502 332 1HD2 ASN 42 1HD2 ASN 42 -9.358 14.453 0.295 333 2HD2 ASN 42 2HD2 ASN 42 -9.334 13.677 1.960 334 H TYR 43 H TYR 43 -10.270 8.930 0.745 335 HA TYR 43 HA TYR 43 -10.273 8.388 -2.216 336 1HB TYR 43 2HB TYR 43 -8.178 8.457 -1.034 337 2HB TYR 43 1HB TYR 43 -8.775 7.313 0.123 338 HD1 TYR 43 HD1 TYR 43 -7.831 7.605 -3.514 339 HD2 TYR 43 HD2 TYR 43 -8.315 4.981 -0.139 340 HE1 TYR 43 HE1 TYR 43 -6.676 5.817 -4.723 341 HE2 TYR 43 HE2 TYR 43 -7.130 3.204 -1.352 342 HH TYR 43 HH TYR 43 -5.994 3.653 -4.689 343 H ILE 44 H ILE 44 -12.858 7.950 -1.171 344 HA ILE 44 HA ILE 44 -13.520 5.201 -0.986 345 HB ILE 44 HB ILE 44 -15.361 7.263 -2.054 346 1HG1 ILE 44 1HG1 ILE 44 -14.503 6.734 0.842 347 2HG1 ILE 44 2HG1 ILE 44 -14.283 8.192 -0.058 348 1HG2 ILE 44 3HG2 ILE 44 -16.223 4.882 -2.130 349 2HG2 ILE 44 1HG2 ILE 44 -15.928 4.719 -0.381 350 3HG2 ILE 44 2HG2 ILE 44 -17.155 5.855 -0.992 351 1HD1 ILE 44 1HD1 ILE 44 -16.791 8.630 -0.122 352 2HD1 ILE 44 2HD1 ILE 44 -17.030 7.211 0.934 353 3HD1 ILE 44 3HD1 ILE 44 -16.101 8.608 1.519 354 H ARG 45 H ARG 45 -11.801 4.946 -2.734 355 HA ARG 45 HA ARG 45 -12.474 4.454 -5.473 356 1HB ARG 45 1HB ARG 45 -10.197 4.690 -3.494 357 2HB ARG 45 2HB ARG 45 -9.961 3.710 -4.802 358 1HG ARG 45 1HG ARG 45 -9.147 5.805 -5.469 359 2HG ARG 45 2HG ARG 45 -10.536 5.488 -6.489 360 1HD ARG 45 1HD ARG 45 -11.941 7.090 -5.296 361 2HD ARG 45 2HD ARG 45 -10.813 7.165 -3.938 362 1HH1 ARG 45 2HH2 ARG 45 -11.733 9.251 -4.153 363 2HH1 ARG 45 1HH2 ARG 45 -11.173 10.960 -4.563 364 1HH2 ARG 45 1HH1 ARG 45 -8.902 9.809 -6.762 365 2HH2 ARG 45 2HH1 ARG 45 -9.716 11.260 -5.950 366 H ILE 46 H ILE 46 -11.452 2.152 -3.006 367 HA ILE 46 HA ILE 46 -10.933 0.501 -5.321 368 HB ILE 46 HB ILE 46 -9.654 2.072 -3.449 369 1HG1 ILE 46 1HG1 ILE 46 -9.005 1.051 -5.694 370 2HG1 ILE 46 2HG1 ILE 46 -8.069 2.003 -4.662 371 1HG2 ILE 46 3HG2 ILE 46 -10.232 0.816 -1.508 372 2HG2 ILE 46 1HG2 ILE 46 -9.343 -0.580 -2.151 373 3HG2 ILE 46 2HG2 ILE 46 -8.491 0.982 -1.809 374 1HD1 ILE 46 3HD1 ILE 46 -8.048 -1.116 -4.310 375 2HD1 ILE 46 1HD1 ILE 46 -6.824 -0.245 -5.284 376 3HD1 ILE 46 2HD1 ILE 46 -6.955 0.037 -3.542 377 H LEU 47 H LEU 47 -9.995 -1.307 -5.056 378 HA LEU 47 HA LEU 47 -11.516 -3.646 -3.924 379 1HB LEU 47 1HB LEU 47 -13.208 -2.504 -5.494 380 2HB LEU 47 2HB LEU 47 -12.175 -2.887 -6.850 381 HG LEU 47 HG LEU 47 -12.664 -5.318 -6.583 382 1HD1 LEU 47 3HD1 LEU 47 -14.412 -4.466 -4.158 383 2HD1 LEU 47 1HD1 LEU 47 -14.398 -6.086 -4.894 384 3HD1 LEU 47 2HD1 LEU 47 -12.955 -5.480 -4.066 385 1HD2 LEU 47 3HD2 LEU 47 -14.192 -3.907 -7.947 386 2HD2 LEU 47 1HD2 LEU 47 -15.078 -5.227 -7.164 387 3HD2 LEU 47 2HD2 LEU 47 -15.204 -3.572 -6.521 388 H THR 48 H THR 48 -11.225 -5.662 -5.488 389 HA THR 48 HA THR 48 -8.290 -6.252 -5.604 390 HB THR 48 HB THR 48 -10.670 -7.937 -6.221 391 HG1 THR 48 HG1 THR 48 -9.891 -7.176 -3.997 392 1HG2 THR 48 3HG2 THR 48 -7.706 -8.744 -6.130 393 2HG2 THR 48 1HG2 THR 48 -9.033 -9.922 -5.994 394 3HG2 THR 48 2HG2 THR 48 -8.820 -8.979 -7.487 395 H GLY 49 H GLY 49 -7.149 -5.605 -7.154 396 1HA GLY 49 1HA GLY 49 -6.237 -5.555 -9.376 397 2HA GLY 49 2HA GLY 49 -7.799 -5.902 -10.140 398 H ASP 50 H ASP 50 -7.515 -3.435 -7.810 399 HA ASP 50 HA ASP 50 -7.679 -1.163 -9.811 400 1HB ASP 50 1HB ASP 50 -8.126 -1.388 -6.859 401 2HB ASP 50 2HB ASP 50 -8.016 0.138 -7.667 402 HD2 ASP 50 HD2 ASP 50 -11.356 0.145 -8.044 403 H LYS 51 H LYS 51 -5.995 0.621 -9.773 404 HA LYS 51 HA LYS 51 -3.529 0.148 -8.858 405 1HB LYS 51 1HB LYS 51 -4.824 2.735 -9.813 406 2HB LYS 51 2HB LYS 51 -3.139 2.260 -9.932 407 1HG LYS 51 1HG LYS 51 -5.523 1.046 -11.486 408 2HG LYS 51 2HG LYS 51 -4.136 1.937 -11.923 409 1HD LYS 51 1HD LYS 51 -2.725 -0.157 -11.050 410 2HD LYS 51 2HD LYS 51 -4.247 -0.986 -11.100 411 1HE LYS 51 1HE LYS 51 -3.247 -1.563 -13.170 412 2HE LYS 51 2HE LYS 51 -4.488 -0.391 -13.606 413 1HZ LYS 51 1HZ LYS 51 -1.578 0.188 -13.237 414 2HZ LYS 51 2HZ LYS 51 -2.689 1.338 -13.553 415 H VAL 52 H VAL 52 -2.353 0.653 -7.472 416 HA VAL 52 HA VAL 52 -2.873 2.657 -5.214 417 HB VAL 52 HB VAL 52 -2.381 0.952 -3.550 418 1HG1 VAL 52 3HG2 VAL 52 -4.835 0.979 -4.349 419 2HG1 VAL 52 1HG2 VAL 52 -4.433 -0.384 -5.400 420 3HG1 VAL 52 2HG2 VAL 52 -4.320 -0.582 -3.645 421 1HG2 VAL 52 2HG1 VAL 52 -0.863 -0.594 -4.849 422 2HG2 VAL 52 3HG1 VAL 52 -2.125 -1.443 -3.905 423 3HG2 VAL 52 1HG1 VAL 52 -2.291 -1.271 -5.664 424 H THR 53 H THR 53 -1.017 3.297 -3.992 425 HA THR 53 HA THR 53 1.795 2.520 -4.983 426 HB THR 53 HB THR 53 0.782 5.466 -4.957 427 HG1 THR 53 HG1 THR 53 0.912 3.541 -6.864 428 1HG2 THR 53 2HG2 THR 53 3.215 5.321 -4.276 429 2HG2 THR 53 3HG2 THR 53 3.563 4.386 -5.756 430 3HG2 THR 53 1HG2 THR 53 3.011 6.066 -5.873 431 H VAL 54 H VAL 54 2.326 1.792 -3.267 432 HA VAL 54 HA VAL 54 1.296 2.525 -0.497 433 HB VAL 54 HB VAL 54 2.550 -0.042 -1.439 434 1HG1 VAL 54 3HG2 VAL 54 2.246 -0.386 0.767 435 2HG1 VAL 54 1HG2 VAL 54 0.495 -0.039 0.677 436 3HG1 VAL 54 2HG2 VAL 54 1.183 -1.430 -0.150 437 1HG2 VAL 54 2HG1 VAL 54 0.343 0.572 -3.010 438 2HG2 VAL 54 3HG1 VAL 54 0.794 -1.047 -2.512 439 3HG2 VAL 54 1HG1 VAL 54 -0.481 -0.183 -1.668 440 H GLU 55 H GLU 55 2.763 3.037 1.190 441 HA GLU 55 HA GLU 55 5.551 3.512 0.169 442 1HB GLU 55 1HB GLU 55 4.121 5.139 1.817 443 2HB GLU 55 2HB GLU 55 4.705 4.012 3.029 444 1HG GLU 55 1HG GLU 55 7.121 4.548 2.339 445 2HG GLU 55 2HG GLU 55 6.494 5.755 1.226 446 HE1 GLU 55 HE2 GLU 55 5.778 8.055 3.647 447 H LEU 56 H LEU 56 7.339 2.459 0.959 448 HA LEU 56 HA LEU 56 6.907 -0.053 2.647 449 1HB LEU 56 1HB LEU 56 8.052 -1.485 1.369 450 2HB LEU 56 2HB LEU 56 7.018 -0.679 0.231 451 HG LEU 56 HG LEU 56 9.950 -0.005 0.701 452 1HD1 LEU 56 2HD1 LEU 56 9.619 -2.407 -0.183 453 2HD1 LEU 56 3HD1 LEU 56 8.749 -1.748 -1.588 454 3HD1 LEU 56 1HD1 LEU 56 10.471 -1.382 -1.355 455 1HD2 LEU 56 3HD2 LEU 56 8.007 0.940 -1.450 456 2HD2 LEU 56 1HD2 LEU 56 9.089 1.862 -0.374 457 3HD2 LEU 56 2HD2 LEU 56 9.776 0.972 -1.731 458 H THR 57 H THR 57 9.685 -0.742 2.880 459 HA THR 57 HA THR 57 10.631 1.556 4.558 460 HB THR 57 HB THR 57 11.307 -0.326 6.213 461 HG1 THR 57 HG1 THR 57 9.127 -1.567 4.953 462 1HG2 THR 57 3HG2 THR 57 8.443 0.642 6.221 463 2HG2 THR 57 1HG2 THR 57 9.305 -0.145 7.589 464 3HG2 THR 57 2HG2 THR 57 9.881 1.415 6.968 465 HA PRO 58 HA PRO 58 15.053 0.530 3.769 466 1HB PRO 58 1HB PRO 58 14.918 0.758 6.723 467 2HB PRO 58 2HB PRO 58 16.242 1.180 5.658 468 1HG PRO 58 1HG PRO 58 14.565 3.140 6.322 469 2HG PRO 58 2HG PRO 58 14.861 2.965 4.597 470 1HD PRO 58 1HD PRO 58 12.344 2.081 6.126 471 2HD PRO 58 2HD PRO 58 12.465 2.700 4.545 472 H TYR 59 H TYR 59 13.498 -1.043 6.429 473 HA TYR 59 HA TYR 59 15.327 -3.514 6.358 474 1HB TYR 59 1HB TYR 59 14.647 -2.073 8.522 475 2HB TYR 59 2HB TYR 59 13.167 -2.917 8.487 476 HD1 TYR 59 HD2 TYR 59 16.848 -3.320 8.936 477 HD2 TYR 59 HD1 TYR 59 13.045 -5.320 9.135 478 HE1 TYR 59 HE2 TYR 59 17.877 -5.172 10.187 479 HE2 TYR 59 HE1 TYR 59 14.092 -7.165 10.391 480 HH TYR 59 HH TYR 59 17.557 -7.153 11.141 481 H ASP 60 H ASP 60 11.858 -2.958 6.505 482 HA ASP 60 HA ASP 60 11.327 -5.943 6.024 483 1HB ASP 60 1HB ASP 60 10.529 -4.662 8.134 484 2HB ASP 60 2HB ASP 60 9.396 -3.799 7.096 485 HD2 ASP 60 HD2 ASP 60 7.168 -6.253 7.817 486 H LEU 61 H LEU 61 12.040 -5.231 3.806 487 HA LEU 61 HA LEU 61 10.329 -3.975 1.965 488 1HB LEU 61 1HB LEU 61 12.342 -6.282 1.515 489 2HB LEU 61 2HB LEU 61 11.542 -5.527 0.175 490 HG LEU 61 HG LEU 61 13.784 -4.708 0.385 491 1HD1 LEU 61 2HD2 LEU 61 12.058 -3.159 -0.582 492 2HD1 LEU 61 3HD2 LEU 61 11.827 -2.409 1.021 493 3HD1 LEU 61 1HD2 LEU 61 13.387 -2.274 0.193 494 1HD2 LEU 61 3HD1 LEU 61 14.112 -4.825 2.888 495 2HD2 LEU 61 1HD1 LEU 61 14.622 -3.271 2.197 496 3HD2 LEU 61 2HD1 LEU 61 13.093 -3.376 3.075 497 H SER 62 H SER 62 9.471 -7.043 3.164 498 HA SER 62 HA SER 62 7.546 -7.686 0.912 499 1HB SER 62 1HB SER 62 8.639 -9.467 2.319 500 2HB SER 62 2HB SER 62 7.777 -8.877 3.745 501 HG SER 62 HG SER 62 5.806 -9.178 2.328 502 H LYS 63 H LYS 63 7.299 -5.317 3.423 503 HA LYS 63 HA LYS 63 4.316 -5.196 3.082 504 1HB LYS 63 1HB LYS 63 6.254 -4.657 5.457 505 2HB LYS 63 2HB LYS 63 4.620 -4.139 5.490 506 1HG LYS 63 2HG LYS 63 4.102 -6.110 6.455 507 2HG LYS 63 1HG LYS 63 4.069 -6.614 4.761 508 1HD LYS 63 2HD LYS 63 5.713 -7.980 4.844 509 2HD LYS 63 1HD LYS 63 6.807 -6.973 5.768 510 1HE LYS 63 1HE LYS 63 4.536 -8.738 6.934 511 2HE LYS 63 2HE LYS 63 6.253 -9.146 6.912 512 1HZ LYS 63 1HZ LYS 63 5.659 -8.226 9.048 513 2HZ LYS 63 2HZ LYS 63 5.007 -6.884 8.390 514 H GLY 64 H GLY 64 3.403 -3.205 3.870 515 1HA GLY 64 2HA GLY 64 4.592 -0.590 3.903 516 2HA GLY 64 1HA GLY 64 4.181 -0.847 2.196 517 H ARG 65 H ARG 65 3.027 1.285 3.042 518 HA ARG 65 HA ARG 65 0.155 0.366 2.976 519 1HB ARG 65 1HB ARG 65 -0.518 1.111 4.928 520 2HB ARG 65 2HB ARG 65 1.158 1.074 5.377 521 1HG ARG 65 2HG ARG 65 -0.388 3.612 4.622 522 2HG ARG 65 1HG ARG 65 -0.121 3.024 6.245 523 1HD ARG 65 1HD ARG 65 2.125 3.936 4.357 524 2HD ARG 65 2HD ARG 65 1.383 4.914 5.632 525 1HH1 ARG 65 2HH2 ARG 65 3.773 5.099 5.234 526 2HH1 ARG 65 1HH2 ARG 65 5.363 4.868 6.137 527 1HH2 ARG 65 1HH1 ARG 65 3.957 2.307 7.878 528 2HH2 ARG 65 2HH1 ARG 65 5.457 3.358 7.608 529 H ILE 66 H ILE 66 -0.425 1.441 0.842 530 HA ILE 66 HA ILE 66 -0.420 3.486 -0.347 531 HB ILE 66 HB ILE 66 -3.268 2.993 0.547 532 1HG1 ILE 66 1HG1 ILE 66 -3.385 1.729 -1.686 533 2HG1 ILE 66 2HG1 ILE 66 -1.618 1.821 -1.763 534 1HG2 ILE 66 2HG2 ILE 66 -3.087 5.157 -0.750 535 2HG2 ILE 66 3HG2 ILE 66 -2.235 4.316 -2.053 536 3HG2 ILE 66 1HG2 ILE 66 -3.937 3.932 -1.680 537 1HD1 ILE 66 3HD1 ILE 66 -3.193 0.540 0.565 538 2HD1 ILE 66 1HD1 ILE 66 -2.619 -0.355 -0.898 539 3HD1 ILE 66 2HD1 ILE 66 -1.488 0.307 0.246 540 H VAL 67 H VAL 67 0.453 5.290 0.179 541 HA VAL 67 HA VAL 67 -0.935 7.349 1.920 542 HB VAL 67 HB VAL 67 1.236 8.530 1.744 543 1HG1 VAL 67 3HG2 VAL 67 0.658 7.228 3.795 544 2HG1 VAL 67 1HG2 VAL 67 1.405 5.778 3.093 545 3HG1 VAL 67 2HG2 VAL 67 2.412 7.184 3.509 546 1HG2 VAL 67 2HG1 VAL 67 2.401 7.552 -0.186 547 2HG2 VAL 67 3HG1 VAL 67 3.382 7.363 1.266 548 3HG2 VAL 67 1HG1 VAL 67 2.475 5.972 0.609 549 H PHE 68 H PHE 68 0.729 7.371 -1.203 550 HA PHE 68 HA PHE 68 0.864 9.508 -2.436 551 1HB PHE 68 1HB PHE 68 0.098 8.843 -4.506 552 2HB PHE 68 2HB PHE 68 0.672 7.450 -3.656 553 HD1 PHE 68 HD2 PHE 68 -2.492 7.349 -2.255 554 HD2 PHE 68 HD1 PHE 68 -0.650 7.156 -6.144 555 HE1 PHE 68 HE2 PHE 68 -4.378 6.055 -3.094 556 HE2 PHE 68 HE1 PHE 68 -2.536 5.817 -6.958 557 HZ PHE 68 HZ PHE 68 -4.406 5.256 -5.448 558 H ARG 69 H ARG 69 -2.538 9.409 -3.301 559 HA ARG 69 HA ARG 69 -2.916 12.137 -2.031 560 1HB ARG 69 1HB ARG 69 -1.717 12.471 -4.280 561 2HB ARG 69 2HB ARG 69 -3.111 11.774 -5.091 562 1HG ARG 69 1HG ARG 69 -4.542 13.693 -4.007 563 2HG ARG 69 2HG ARG 69 -3.038 14.382 -3.402 564 1HD ARG 69 1HD ARG 69 -2.179 14.608 -5.779 565 2HD ARG 69 2HD ARG 69 -3.666 13.842 -6.384 566 1HH1 ARG 69 2HH2 ARG 69 -3.666 15.280 -7.887 567 2HH1 ARG 69 1HH2 ARG 69 -4.460 16.832 -8.489 568 1HH2 ARG 69 1HH1 ARG 69 -4.960 17.820 -5.285 569 2HH2 ARG 69 2HH1 ARG 69 -5.158 18.222 -7.081 570 H SER 70 H SER 70 -4.909 12.369 -1.338 571 HA SER 70 HA SER 70 -7.220 10.656 -2.437 572 1HB SER 70 1HB SER 70 -8.286 10.801 -0.313 573 2HB SER 70 2HB SER 70 -6.639 10.227 -0.059 574 HG SER 70 HG SER 70 -7.383 12.977 0.137 575 H ARG 71 H ARG 71 -7.082 12.264 -4.148 576 HA ARG 71 HA ARG 71 -8.190 14.947 -3.753 577 1HB ARG 71 1HB ARG 71 -7.867 15.135 -6.130 578 2HB ARG 71 2HB ARG 71 -6.448 14.546 -5.350 579 1HG ARG 71 1HG ARG 71 -8.346 12.776 -7.056 580 2HG ARG 71 2HG ARG 71 -6.940 13.621 -7.661 581 1HD ARG 71 1HD ARG 71 -5.468 12.295 -5.997 582 2HD ARG 71 2HD ARG 71 -6.901 11.321 -5.609 583 1HH1 ARG 71 2HH2 ARG 71 -5.263 9.841 -5.677 584 2HH1 ARG 71 1HH2 ARG 71 -4.690 8.417 -6.692 585 1HH2 ARG 71 1HH1 ARG 71 -5.918 9.863 -9.496 586 2HH2 ARG 71 2HH1 ARG 71 -5.049 8.409 -8.750 No H/Q in entry = 586
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