NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
2101 | 1beg | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 0.682 -0.762 0.728 2 2H THR 1 3H THR 1 0.996 0.864 1.090 3 3H THR 1 2H THR 1 -0.407 0.441 0.241 4 HA THR 1 HA THR 1 0.653 0.012 -1.692 5 HB THR 1 HB THR 1 2.208 1.902 -2.127 6 HG1 THR 1 HG1 THR 1 2.930 3.125 -0.510 7 1HG2 THR 1 3HG2 THR 1 -0.518 2.005 -1.486 8 2HG2 THR 1 2HG2 THR 1 0.195 3.358 -0.618 9 3HG2 THR 1 1HG2 THR 1 0.413 3.220 -2.359 10 H ALA 2 H ALA 2 3.407 0.334 0.635 11 HA ALA 2 HA ALA 2 5.319 -0.857 0.913 12 1HB ALA 2 3HB ALA 2 3.950 -2.839 -0.915 13 2HB ALA 2 2HB ALA 2 5.608 -3.066 -0.396 14 3HB ALA 2 1HB ALA 2 4.319 -2.982 0.802 15 H CYS 3 H CYS 3 7.404 -1.089 0.033 16 HA CYS 3 HA CYS 3 7.925 0.585 -2.294 17 1HB CYS 3 2HB CYS 3 10.230 -0.998 -1.393 18 2HB CYS 3 1HB CYS 3 10.095 0.720 -1.661 19 H THR 4 H THR 4 8.759 -0.038 -4.318 20 HA THR 4 HA THR 4 8.958 -2.928 -4.918 21 HB THR 4 HB THR 4 7.487 -0.820 -6.508 22 HG1 THR 4 HG1 THR 4 6.201 -3.039 -5.326 23 1HG2 THR 4 1HG2 THR 4 7.907 -3.755 -6.990 24 2HG2 THR 4 3HG2 THR 4 6.696 -2.789 -7.839 25 3HG2 THR 4 2HG2 THR 4 8.414 -2.409 -8.008 26 H ALA 5 H ALA 5 10.394 -3.476 -6.549 27 HA ALA 5 HA ALA 5 12.393 -3.492 -7.578 28 1HB ALA 5 1HB ALA 5 10.731 -2.725 -9.262 29 2HB ALA 5 3HB ALA 5 11.214 -1.062 -8.929 30 3HB ALA 5 2HB ALA 5 12.375 -2.200 -9.624 31 H THR 6 H THR 6 13.176 -0.308 -8.443 32 HA THR 6 HA THR 6 15.442 -0.295 -6.773 33 HB THR 6 HB THR 6 15.226 0.889 -8.993 34 HG1 THR 6 HG1 THR 6 16.380 2.140 -6.742 35 1HG2 THR 6 2HG2 THR 6 13.116 2.123 -8.494 36 2HG2 THR 6 1HG2 THR 6 14.026 3.137 -7.371 37 3HG2 THR 6 3HG2 THR 6 14.424 3.147 -9.088 38 H GLN 7 H GLN 7 12.248 1.044 -6.123 39 HA GLN 7 HA GLN 7 12.878 2.831 -4.018 40 1HB GLN 7 2HB GLN 7 10.491 1.101 -4.610 41 2HB GLN 7 1HB GLN 7 10.590 1.909 -3.061 42 1HG GLN 7 2HG GLN 7 10.998 4.069 -4.392 43 2HG GLN 7 1HG GLN 7 10.448 3.150 -5.805 44 1HE2 GLN 7 2HE2 GLN 7 7.080 3.582 -4.952 45 2HE2 GLN 7 1HE2 GLN 7 8.241 3.371 -6.172 46 H GLN 8 H GLN 8 12.198 -0.618 -4.014 47 HA GLN 8 HA GLN 8 12.614 -1.107 -1.226 48 1HB GLN 8 2HB GLN 8 11.216 -2.561 -2.775 49 2HB GLN 8 1HB GLN 8 12.726 -3.132 -3.467 50 1HG GLN 8 2HG GLN 8 13.431 -3.880 -1.179 51 2HG GLN 8 1HG GLN 8 11.810 -3.480 -0.597 52 1HE2 GLN 8 2HE2 GLN 8 10.288 -6.274 -2.270 53 2HE2 GLN 8 1HE2 GLN 8 9.960 -4.751 -1.590 54 H THR 9 H THR 9 14.741 -1.772 -3.997 55 HA THR 9 HA THR 9 16.806 -2.714 -2.262 56 HB THR 9 HB THR 9 16.590 -3.392 -4.667 57 HG1 THR 9 HG1 THR 9 18.647 -3.898 -4.679 58 1HG2 THR 9 3HG2 THR 9 16.392 -0.825 -5.230 59 2HG2 THR 9 2HG2 THR 9 18.134 -0.983 -5.446 60 3HG2 THR 9 1HG2 THR 9 17.023 -1.981 -6.406 61 H ALA 10 H ALA 10 16.004 0.516 -3.251 62 HA ALA 10 HA ALA 10 18.485 1.777 -2.526 63 1HB ALA 10 3HB ALA 10 15.751 2.661 -3.246 64 2HB ALA 10 2HB ALA 10 16.417 3.626 -1.938 65 3HB ALA 10 1HB ALA 10 17.277 3.511 -3.473 66 H ALA 11 H ALA 11 15.378 1.132 -0.954 67 HA ALA 11 HA ALA 11 15.952 2.001 1.685 68 1HB ALA 11 3HB ALA 11 13.652 1.373 0.688 69 2HB ALA 11 2HB ALA 11 14.109 -0.307 0.956 70 3HB ALA 11 1HB ALA 11 13.958 0.790 2.324 71 H TYR 12 H TYR 12 16.574 -1.027 -0.016 72 HA TYR 12 HA TYR 12 17.380 -2.662 2.152 73 1HB TYR 12 2HB TYR 12 18.019 -2.737 -0.800 74 2HB TYR 12 1HB TYR 12 18.967 -3.704 0.293 75 HD1 TYR 12 HD2 TYR 12 16.389 -4.225 2.139 76 HD2 TYR 12 HD1 TYR 12 17.293 -4.628 -2.035 77 HE1 TYR 12 HE2 TYR 12 14.671 -6.003 1.956 78 HE2 TYR 12 HE1 TYR 12 15.577 -6.407 -2.228 79 HH TYR 12 HH TYR 12 13.421 -7.031 -0.943 80 H LYS 13 H LYS 13 19.484 -0.894 -0.200 81 HA LYS 13 HA LYS 13 21.944 -1.260 0.991 82 1HB LYS 13 2HB LYS 13 21.393 0.073 -1.128 83 2HB LYS 13 1HB LYS 13 21.120 1.459 -0.078 84 1HG LYS 13 2HG LYS 13 23.398 1.466 0.649 85 2HG LYS 13 1HG LYS 13 23.704 -0.127 -0.049 86 1HD LYS 13 2HD LYS 13 23.173 0.879 -2.317 87 2HD LYS 13 1HD LYS 13 23.168 2.455 -1.544 88 1HE LYS 13 2HE LYS 13 25.360 2.422 -2.186 89 2HE LYS 13 1HE LYS 13 25.548 1.594 -0.650 90 1HZ LYS 13 1HZ LYS 13 25.055 0.109 -3.181 91 2HZ LYS 13 3HZ LYS 13 26.613 0.544 -2.685 92 3HZ LYS 13 2HZ LYS 13 25.672 -0.481 -1.715 93 H THR 14 H THR 14 19.557 1.246 1.882 94 HA THR 14 HA THR 14 21.118 2.358 4.021 95 HB THR 14 HB THR 14 18.094 2.396 3.679 96 HG1 THR 14 HG1 THR 14 18.595 3.486 1.938 97 1HG2 THR 14 2HG2 THR 14 20.007 4.067 5.274 98 2HG2 THR 14 1HG2 THR 14 18.481 4.740 4.696 99 3HG2 THR 14 3HG2 THR 14 18.475 3.342 5.769 100 H LEU 15 H LEU 15 18.151 0.413 4.453 101 HA LEU 15 HA LEU 15 18.353 -0.262 7.133 102 1HB LEU 15 2HB LEU 15 16.371 -0.570 5.785 103 2HB LEU 15 1HB LEU 15 17.163 -1.789 4.819 104 HG LEU 15 HG LEU 15 17.367 -2.882 7.345 105 1HD1 LEU 15 2HD1 LEU 15 14.716 -1.409 7.194 106 2HD1 LEU 15 1HD1 LEU 15 15.139 -2.640 8.382 107 3HD1 LEU 15 3HD1 LEU 15 16.006 -1.104 8.362 108 1HD2 LEU 15 2HD2 LEU 15 15.321 -3.153 5.148 109 2HD2 LEU 15 1HD2 LEU 15 16.559 -4.300 5.663 110 3HD2 LEU 15 3HD2 LEU 15 15.116 -4.057 6.642 111 H VAL 16 H VAL 16 19.217 -2.550 4.554 112 HA VAL 16 HA VAL 16 20.421 -4.568 6.010 113 HB VAL 16 HB VAL 16 20.878 -3.574 3.185 114 1HG1 VAL 16 1HG1 VAL 16 22.880 -4.873 3.951 115 2HG1 VAL 16 3HG1 VAL 16 21.791 -6.249 4.205 116 3HG1 VAL 16 2HG1 VAL 16 21.985 -5.554 2.590 117 1HG2 VAL 16 1HG2 VAL 16 18.649 -4.564 3.896 118 2HG2 VAL 16 3HG2 VAL 16 19.451 -5.348 2.535 119 3HG2 VAL 16 2HG2 VAL 16 19.506 -6.088 4.133 120 H SER 17 H SER 17 22.172 -1.685 4.638 121 HA SER 17 HA SER 17 24.715 -2.472 5.622 122 1HB SER 17 2HB SER 17 23.589 0.191 4.797 123 2HB SER 17 1HB SER 17 25.062 0.178 5.736 124 HG SER 17 HG SER 17 26.048 -0.997 4.114 125 H ILE 18 H ILE 18 22.069 -0.767 7.266 126 HA ILE 18 HA ILE 18 23.623 -0.139 9.604 127 HB ILE 18 HB ILE 18 20.996 0.407 8.763 128 1HG1 ILE 18 2HG1 ILE 18 22.495 1.992 9.835 129 2HG1 ILE 18 1HG1 ILE 18 20.915 1.988 10.591 130 1HG2 ILE 18 3HG2 ILE 18 20.790 -1.042 11.392 131 2HG2 ILE 18 2HG2 ILE 18 19.577 0.052 10.732 132 3HG2 ILE 18 1HG2 ILE 18 19.980 -1.431 9.873 133 1HD1 ILE 18 1HD1 ILE 18 23.029 0.227 11.772 134 2HD1 ILE 18 3HD1 ILE 18 23.158 1.964 12.035 135 3HD1 ILE 18 2HD1 ILE 18 21.723 1.088 12.569 136 H LEU 19 H LEU 19 21.577 -2.956 8.826 137 HA LEU 19 HA LEU 19 21.740 -4.348 11.251 138 1HB LEU 19 2HB LEU 19 21.952 -5.859 8.648 139 2HB LEU 19 1HB LEU 19 21.202 -6.359 10.148 140 HG LEU 19 HG LEU 19 20.176 -4.337 8.138 141 1HD1 LEU 19 2HD1 LEU 19 19.847 -6.805 7.726 142 2HD1 LEU 19 1HD1 LEU 19 18.875 -6.848 9.200 143 3HD1 LEU 19 3HD1 LEU 19 18.365 -5.858 7.835 144 1HD2 LEU 19 1HD2 LEU 19 19.301 -4.908 10.966 145 2HD2 LEU 19 3HD2 LEU 19 19.452 -3.353 10.153 146 3HD2 LEU 19 2HD2 LEU 19 18.109 -4.424 9.760 147 H SER 20 H SER 20 24.062 -4.458 8.571 148 HA SER 20 HA SER 20 25.952 -6.185 9.999 149 1HB SER 20 2HB SER 20 25.335 -6.079 7.437 150 2HB SER 20 1HB SER 20 26.467 -4.752 7.404 151 HG SER 20 HG SER 20 27.791 -6.416 7.092 152 H ASP 21 H ASP 21 25.373 -3.364 11.108 153 HA ASP 21 HA ASP 21 28.110 -2.215 11.067 154 1HB ASP 21 2HB ASP 21 26.269 -0.956 9.921 155 2HB ASP 21 1HB ASP 21 25.516 -0.795 11.482 156 H ALA 22 H ALA 22 29.050 -1.845 12.979 157 HA ALA 22 HA ALA 22 28.176 -2.889 15.450 158 1HB ALA 22 3HB ALA 22 30.557 -2.454 14.953 159 2HB ALA 22 2HB ALA 22 30.252 -0.720 15.047 160 3HB ALA 22 1HB ALA 22 30.059 -1.727 16.480 161 H SER 23 H SER 23 27.462 0.286 14.110 162 HA SER 23 HA SER 23 26.929 1.763 16.439 163 1HB SER 23 2HB SER 23 26.905 2.639 14.048 164 2HB SER 23 1HB SER 23 25.283 1.987 13.902 165 HG SER 23 HG SER 23 24.651 3.726 14.928 166 H PHE 24 H PHE 24 24.662 -0.334 14.636 167 HA PHE 24 HA PHE 24 22.382 0.072 16.298 168 1HB PHE 24 2HB PHE 24 22.419 -1.056 14.018 169 2HB PHE 24 1HB PHE 24 23.105 -2.476 14.778 170 HD1 PHE 24 HD2 PHE 24 20.087 -0.388 14.384 171 HD2 PHE 24 HD1 PHE 24 21.738 -3.895 16.235 172 HE1 PHE 24 HE2 PHE 24 17.801 -1.174 14.947 173 HE2 PHE 24 HE1 PHE 24 19.453 -4.683 16.797 174 HZ PHE 24 HZ PHE 24 17.482 -3.319 16.152 175 H ASN 25 H ASN 25 24.932 -2.389 16.457 176 HA ASN 25 HA ASN 25 24.125 -3.894 18.664 177 1HB ASN 25 2HB ASN 25 26.804 -3.193 17.523 178 2HB ASN 25 1HB ASN 25 26.755 -3.982 19.090 179 1HD2 ASN 25 2HD2 ASN 25 25.397 -7.038 17.703 180 2HD2 ASN 25 1HD2 ASN 25 25.309 -6.087 19.113 181 H GLN 26 H GLN 26 26.196 -1.016 18.688 182 HA GLN 26 HA GLN 26 26.503 -0.783 21.502 183 1HB GLN 26 2HB GLN 26 26.546 1.405 19.418 184 2HB GLN 26 1HB GLN 26 27.012 1.634 21.102 185 1HG GLN 26 2HG GLN 26 28.370 -0.526 19.554 186 2HG GLN 26 1HG GLN 26 28.749 1.144 19.139 187 1HE2 GLN 26 2HE2 GLN 26 29.897 -0.168 22.865 188 2HE2 GLN 26 1HE2 GLN 26 28.582 -0.965 22.143 189 H CYS 27 H CYS 27 24.079 0.666 19.357 190 HA CYS 27 HA CYS 27 22.690 2.218 21.284 191 1HB CYS 27 2HB CYS 27 22.322 2.336 18.793 192 2HB CYS 27 1HB CYS 27 21.461 0.822 18.889 193 H SER 28 H SER 28 21.699 -0.955 19.984 194 HA SER 28 HA SER 28 19.688 -1.472 21.876 195 1HB SER 28 2HB SER 28 19.902 -3.909 21.243 196 2HB SER 28 1HB SER 28 19.677 -2.820 19.904 197 HG SER 28 HG SER 28 22.058 -4.125 20.790 198 H THR 29 H THR 29 23.177 -2.012 22.220 199 HA THR 29 HA THR 29 22.900 -3.597 24.592 200 HB THR 29 HB THR 29 25.111 -2.620 22.968 201 HG1 THR 29 HG1 THR 29 24.718 -4.774 24.746 202 1HG2 THR 29 3HG2 THR 29 25.536 -2.566 25.962 203 2HG2 THR 29 2HG2 THR 29 26.848 -2.795 24.810 204 3HG2 THR 29 1HG2 THR 29 25.914 -1.298 24.796 205 H ASP 30 H ASP 30 23.329 -0.116 24.137 206 HA ASP 30 HA ASP 30 23.597 0.496 26.936 207 1HB ASP 30 2HB ASP 30 22.855 2.232 24.604 208 2HB ASP 30 1HB ASP 30 22.835 2.831 26.245 209 H SER 31 H SER 31 20.818 0.991 24.817 210 HA SER 31 HA SER 31 19.021 1.632 27.014 211 1HB SER 31 2HB SER 31 17.271 1.691 25.184 212 2HB SER 31 1HB SER 31 18.577 2.855 25.062 213 HG SER 31 HG SER 31 19.406 1.687 23.358 214 H GLY 32 H GLY 32 19.117 -1.060 24.635 215 1HA GLY 32 2HA GLY 32 18.773 -3.343 25.572 216 2HA GLY 32 1HA GLY 32 17.434 -2.676 26.496 217 H TYR 33 H TYR 33 16.538 -0.973 24.115 218 HA TYR 33 HA TYR 33 14.642 -2.718 23.012 219 1HB TYR 33 2HB TYR 33 14.415 -0.248 23.024 220 2HB TYR 33 1HB TYR 33 15.647 -0.132 21.795 221 HD1 TYR 33 HD2 TYR 33 12.387 -2.046 22.310 222 HD2 TYR 33 HD1 TYR 33 14.966 0.057 19.593 223 HE1 TYR 33 HE2 TYR 33 10.761 -2.366 20.500 224 HE2 TYR 33 HE1 TYR 33 13.328 -0.264 17.772 225 HH TYR 33 HH TYR 33 10.769 -2.457 17.964 226 H SER 34 H SER 34 14.643 -4.092 21.360 227 HA SER 34 HA SER 34 16.839 -4.113 19.386 228 1HB SER 34 2HB SER 34 16.799 -6.623 19.479 229 2HB SER 34 1HB SER 34 17.359 -5.868 20.949 230 HG SER 34 HG SER 34 15.243 -7.508 20.494 231 H MET 35 H MET 35 15.755 -3.241 17.757 232 HA MET 35 HA MET 35 13.060 -3.780 16.960 233 1HB MET 35 2HB MET 35 14.167 -1.694 16.384 234 2HB MET 35 1HB MET 35 15.367 -2.549 15.427 235 1HG MET 35 2HG MET 35 13.622 -3.264 13.858 236 2HG MET 35 1HG MET 35 12.385 -2.487 14.851 237 1HE MET 35 1HE MET 35 15.119 -2.189 12.278 238 2HE MET 35 3HE MET 35 13.480 -1.978 11.625 239 3HE MET 35 2HE MET 35 14.652 -0.672 11.520 240 H LEU 36 H LEU 36 16.098 -5.279 15.997 241 HA LEU 36 HA LEU 36 15.355 -6.603 13.663 242 1HB LEU 36 2HB LEU 36 17.590 -6.674 15.339 243 2HB LEU 36 1HB LEU 36 17.010 -8.337 15.301 244 HG LEU 36 HG LEU 36 16.845 -8.084 12.765 245 1HD1 LEU 36 2HD1 LEU 36 17.072 -5.503 13.009 246 2HD1 LEU 36 1HD1 LEU 36 18.795 -5.818 13.179 247 3HD1 LEU 36 3HD1 LEU 36 17.957 -6.285 11.701 248 1HD2 LEU 36 3HD2 LEU 36 18.724 -9.232 14.100 249 2HD2 LEU 36 2HD2 LEU 36 19.133 -8.708 12.468 250 3HD2 LEU 36 1HD2 LEU 36 19.653 -7.752 13.853 251 H THR 37 H THR 37 14.503 -7.574 16.967 252 HA THR 37 HA THR 37 12.663 -9.493 15.786 253 HB THR 37 HB THR 37 14.659 -10.779 16.156 254 HG1 THR 37 HG1 THR 37 12.763 -11.890 16.556 255 1HG2 THR 37 2HG2 THR 37 14.618 -9.714 18.958 256 2HG2 THR 37 1HG2 THR 37 15.285 -11.307 18.625 257 3HG2 THR 37 3HG2 THR 37 15.979 -9.889 17.846 258 H ALA 38 H ALA 38 11.651 -7.349 16.425 259 HA ALA 38 HA ALA 38 9.911 -7.873 18.691 260 1HB ALA 38 2HB ALA 38 11.761 -6.665 19.787 261 2HB ALA 38 1HB ALA 38 11.514 -5.311 18.680 262 3HB ALA 38 3HB ALA 38 10.250 -5.751 19.831 263 H LYS 39 H LYS 39 7.905 -7.153 18.317 264 HA LYS 39 HA LYS 39 7.469 -5.304 16.065 265 1HB LYS 39 2HB LYS 39 5.049 -6.444 16.182 266 2HB LYS 39 1HB LYS 39 6.378 -7.102 15.274 267 1HG LYS 39 2HG LYS 39 5.105 -8.805 16.539 268 2HG LYS 39 1HG LYS 39 6.788 -8.756 16.996 269 1HD LYS 39 2HD LYS 39 5.967 -8.779 19.101 270 2HD LYS 39 1HD LYS 39 5.711 -7.063 18.867 271 1HE LYS 39 2HE LYS 39 3.590 -9.034 18.045 272 2HE LYS 39 1HE LYS 39 3.759 -8.578 19.729 273 1HZ LYS 39 3HZ LYS 39 3.720 -6.155 18.682 274 2HZ LYS 39 2HZ LYS 39 2.901 -6.969 17.437 275 3HZ LYS 39 1HZ LYS 39 2.298 -7.011 19.020 276 H ALA 40 H ALA 40 8.002 -3.924 18.237 277 HA ALA 40 HA ALA 40 5.609 -2.396 18.864 278 1HB ALA 40 2HB ALA 40 6.892 -4.159 20.925 279 2HB ALA 40 1HB ALA 40 6.145 -2.639 21.403 280 3HB ALA 40 3HB ALA 40 5.174 -3.888 20.615 281 H LEU 41 H LEU 41 6.269 -0.259 19.118 282 HA LEU 41 HA LEU 41 9.059 0.443 19.097 283 1HB LEU 41 2HB LEU 41 6.591 2.159 19.442 284 2HB LEU 41 1HB LEU 41 8.214 2.821 19.389 285 HG LEU 41 HG LEU 41 6.980 1.138 17.190 286 1HD1 LEU 41 3HD1 LEU 41 5.962 3.460 17.686 287 2HD1 LEU 41 2HD1 LEU 41 7.477 4.106 17.057 288 3HD1 LEU 41 1HD1 LEU 41 6.452 3.105 16.032 289 1HD2 LEU 41 3HD2 LEU 41 9.643 2.469 17.587 290 2HD2 LEU 41 2HD2 LEU 41 9.250 0.964 16.758 291 3HD2 LEU 41 1HD2 LEU 41 8.940 2.504 15.968 292 HA PRO 42 HA PRO 42 9.941 0.639 23.402 293 1HB PRO 42 2HB PRO 42 11.949 2.464 23.484 294 2HB PRO 42 1HB PRO 42 12.130 0.789 22.914 295 1HG PRO 42 2HG PRO 42 11.998 3.304 21.331 296 2HG PRO 42 1HG PRO 42 12.822 1.777 20.976 297 1HD PRO 42 2HD PRO 42 10.397 2.546 19.841 298 2HD PRO 42 1HD PRO 42 11.035 0.890 19.890 299 H THR 43 H THR 43 9.718 1.727 25.310 300 HA THR 43 HA THR 43 7.710 3.699 25.526 301 HB THR 43 HB THR 43 8.513 3.652 28.006 302 HG1 THR 43 HG1 THR 43 9.810 1.954 28.536 303 1HG2 THR 43 1HG2 THR 43 6.526 2.543 26.975 304 2HG2 THR 43 3HG2 THR 43 7.516 1.101 26.742 305 3HG2 THR 43 2HG2 THR 43 7.194 1.700 28.371 306 H THR 44 H THR 44 7.828 5.730 26.651 307 HA THR 44 HA THR 44 9.493 7.604 25.526 308 HB THR 44 HB THR 44 7.347 8.081 26.582 309 HG1 THR 44 HG1 THR 44 8.795 9.778 26.156 310 1HG2 THR 44 3HG2 THR 44 7.835 6.769 28.746 311 2HG2 THR 44 2HG2 THR 44 8.700 8.211 29.272 312 3HG2 THR 44 1HG2 THR 44 6.986 8.303 28.895 313 H ALA 45 H ALA 45 10.171 5.851 28.482 314 HA ALA 45 HA ALA 45 12.435 7.314 29.433 315 1HB ALA 45 3HB ALA 45 11.845 4.321 29.639 316 2HB ALA 45 2HB ALA 45 13.002 5.193 30.635 317 3HB ALA 45 1HB ALA 45 11.279 5.533 30.785 318 H GLN 46 H GLN 46 12.095 4.466 27.310 319 HA GLN 46 HA GLN 46 14.810 4.075 26.617 320 1HB GLN 46 2HB GLN 46 12.298 3.413 25.054 321 2HB GLN 46 1HB GLN 46 13.906 2.832 24.635 322 1HG GLN 46 2HG GLN 46 12.635 2.315 27.338 323 2HG GLN 46 1HG GLN 46 12.430 1.229 25.975 324 1HE2 GLN 46 2HE2 GLN 46 15.317 -0.414 27.224 325 2HE2 GLN 46 1HE2 GLN 46 13.646 -0.545 26.951 326 H TYR 47 H TYR 47 12.303 6.090 25.165 327 HA TYR 47 HA TYR 47 13.682 6.960 22.837 328 1HB TYR 47 2HB TYR 47 11.390 8.003 24.459 329 2HB TYR 47 1HB TYR 47 12.202 9.160 23.415 330 HD1 TYR 47 HD2 TYR 47 12.689 8.358 20.971 331 HD2 TYR 47 HD1 TYR 47 9.714 6.633 23.553 332 HE1 TYR 47 HE2 TYR 47 11.498 7.449 18.992 333 HE2 TYR 47 HE1 TYR 47 8.522 5.726 21.577 334 HH TYR 47 HH TYR 47 8.510 6.576 18.893 335 H LYS 48 H LYS 48 13.519 8.388 26.135 336 HA LYS 48 HA LYS 48 15.219 10.595 25.744 337 1HB LYS 48 2HB LYS 48 13.909 10.684 27.651 338 2HB LYS 48 1HB LYS 48 14.094 8.991 27.988 339 1HG LYS 48 2HG LYS 48 16.379 9.535 28.922 340 2HG LYS 48 1HG LYS 48 16.014 11.251 28.667 341 1HD LYS 48 2HD LYS 48 14.329 11.310 30.211 342 2HD LYS 48 1HD LYS 48 13.922 9.611 30.016 343 1HE LYS 48 2HE LYS 48 16.200 9.120 31.092 344 2HE LYS 48 1HE LYS 48 16.207 10.818 31.558 345 1HZ LYS 48 3HZ LYS 48 14.033 8.898 32.273 346 2HZ LYS 48 2HZ LYS 48 15.316 9.300 33.307 347 3HZ LYS 48 1HZ LYS 48 14.198 10.484 32.843 348 H LEU 49 H LEU 49 16.105 7.434 27.137 349 HA LEU 49 HA LEU 49 18.869 7.739 27.324 350 1HB LEU 49 2HB LEU 49 17.081 5.399 26.806 351 2HB LEU 49 1HB LEU 49 18.818 5.184 26.756 352 HG LEU 49 HG LEU 49 17.701 4.715 28.853 353 1HD1 LEU 49 3HD1 LEU 49 20.181 5.416 28.592 354 2HD1 LEU 49 2HD1 LEU 49 19.687 6.869 29.463 355 3HD1 LEU 49 1HD1 LEU 49 19.498 5.288 30.211 356 1HD2 LEU 49 2HD2 LEU 49 17.329 7.696 29.140 357 2HD2 LEU 49 1HD2 LEU 49 16.109 6.423 29.243 358 3HD2 LEU 49 3HD2 LEU 49 17.319 6.584 30.507 359 H MET 50 H MET 50 16.964 6.652 24.496 360 HA MET 50 HA MET 50 19.128 6.143 22.721 361 1HB MET 50 2HB MET 50 16.179 6.520 22.350 362 2HB MET 50 1HB MET 50 17.210 6.713 20.943 363 1HG MET 50 2HG MET 50 17.898 4.510 20.946 364 2HG MET 50 1HG MET 50 17.648 4.311 22.678 365 1HE MET 50 1HE MET 50 16.056 2.981 23.548 366 2HE MET 50 3HE MET 50 14.670 2.240 22.721 367 3HE MET 50 2HE MET 50 16.311 1.882 22.203 368 H CYS 51 H CYS 51 17.255 9.140 23.288 369 HA CYS 51 HA CYS 51 18.296 10.625 21.127 370 1HB CYS 51 2HB CYS 51 17.127 11.454 23.772 371 2HB CYS 51 1HB CYS 51 17.800 12.659 22.676 372 H ALA 52 H ALA 52 19.911 9.832 24.139 373 HA ALA 52 HA ALA 52 22.321 11.269 23.199 374 1HB ALA 52 3HB ALA 52 20.934 11.540 25.871 375 2HB ALA 52 2HB ALA 52 22.652 11.879 25.705 376 3HB ALA 52 1HB ALA 52 21.476 12.812 24.777 377 H SER 53 H SER 53 22.282 8.843 22.553 378 HA SER 53 HA SER 53 23.768 7.198 24.544 379 1HB SER 53 2HB SER 53 21.399 6.490 23.688 380 2HB SER 53 1HB SER 53 22.241 6.079 22.229 381 HG SER 53 HG SER 53 23.201 5.099 24.730 382 H THR 54 H THR 54 24.425 8.975 21.771 383 HA THR 54 HA THR 54 26.185 9.094 20.375 384 HB THR 54 HB THR 54 27.412 6.562 21.513 385 HG1 THR 54 HG1 THR 54 27.409 7.554 23.360 386 1HG2 THR 54 2HG2 THR 54 28.534 9.073 20.262 387 2HG2 THR 54 1HG2 THR 54 29.517 7.773 20.929 388 3HG2 THR 54 3HG2 THR 54 28.463 7.465 19.551 389 H ALA 55 H ALA 55 25.883 5.543 20.685 390 HA ALA 55 HA ALA 55 26.035 4.816 17.981 391 1HB ALA 55 1HB ALA 55 24.525 3.514 20.240 392 2HB ALA 55 3HB ALA 55 24.977 2.733 18.728 393 3HB ALA 55 2HB ALA 55 26.228 3.265 19.861 394 H CYS 56 H CYS 56 23.142 5.155 19.987 395 HA CYS 56 HA CYS 56 21.188 4.548 18.107 396 1HB CYS 56 2HB CYS 56 20.851 6.504 20.413 397 2HB CYS 56 1HB CYS 56 19.553 5.642 19.594 398 H ASN 57 H ASN 57 22.463 7.708 18.942 399 HA ASN 57 HA ASN 57 21.010 9.353 17.146 400 1HB ASN 57 2HB ASN 57 23.593 9.582 18.640 401 2HB ASN 57 1HB ASN 57 23.250 10.794 17.426 402 1HD2 ASN 57 2HD2 ASN 57 21.931 11.888 20.789 403 2HD2 ASN 57 1HD2 ASN 57 23.469 11.401 20.270 404 H THR 58 H THR 58 24.090 7.665 16.747 405 HA THR 58 HA THR 58 24.822 8.554 14.196 406 HB THR 58 HB THR 58 25.286 5.849 15.483 407 HG1 THR 58 HG1 THR 58 27.127 6.636 16.259 408 1HG2 THR 58 3HG2 THR 58 25.646 5.841 12.985 409 2HG2 THR 58 2HG2 THR 58 26.956 6.990 13.238 410 3HG2 THR 58 1HG2 THR 58 27.033 5.384 13.958 411 H MET 59 H MET 59 22.722 5.849 15.097 412 HA MET 59 HA MET 59 22.247 4.952 12.435 413 1HB MET 59 2HB MET 59 19.906 4.417 14.078 414 2HB MET 59 1HB MET 59 20.935 3.332 13.182 415 1HG MET 59 2HG MET 59 22.404 3.076 15.083 416 2HG MET 59 1HG MET 59 21.624 4.414 15.925 417 1HE MET 59 2HE MET 59 19.355 4.570 16.574 418 2HE MET 59 1HE MET 59 18.229 3.625 15.614 419 3HE MET 59 3HE MET 59 18.481 3.241 17.327 420 H ILE 60 H ILE 60 20.078 6.883 14.467 421 HA ILE 60 HA ILE 60 18.183 7.344 12.375 422 HB ILE 60 HB ILE 60 18.548 9.042 14.846 423 1HG1 ILE 60 2HG1 ILE 60 17.986 6.740 15.464 424 2HG1 ILE 60 1HG1 ILE 60 16.635 7.765 15.798 425 1HG2 ILE 60 3HG2 ILE 60 16.272 8.912 12.852 426 2HG2 ILE 60 2HG2 ILE 60 16.139 9.652 14.443 427 3HG2 ILE 60 1HG2 ILE 60 17.278 10.300 13.266 428 1HD1 ILE 60 3HD1 ILE 60 16.871 6.159 13.238 429 2HD1 ILE 60 2HD1 ILE 60 16.086 5.566 14.698 430 3HD1 ILE 60 1HD1 ILE 60 15.446 6.986 13.870 431 H LYS 61 H LYS 61 20.582 9.597 13.689 432 HA LYS 61 HA LYS 61 20.161 11.703 11.893 433 1HB LYS 61 2HB LYS 61 22.859 10.921 13.060 434 2HB LYS 61 1HB LYS 61 22.468 12.479 12.354 435 1HG LYS 61 2HG LYS 61 20.728 11.539 14.588 436 2HG LYS 61 1HG LYS 61 22.378 11.966 14.995 437 1HD LYS 61 2HD LYS 61 21.449 14.031 15.257 438 2HD LYS 61 1HD LYS 61 21.733 14.141 13.520 439 1HE LYS 61 2HE LYS 61 19.452 13.506 13.041 440 2HE LYS 61 1HE LYS 61 19.151 13.119 14.730 441 1HZ LYS 61 1HZ LYS 61 19.612 15.542 15.192 442 2HZ LYS 61 3HZ LYS 61 19.590 15.788 13.514 443 3HZ LYS 61 2HZ LYS 61 18.200 15.211 14.315 444 H LYS 62 H LYS 62 22.204 8.860 11.418 445 HA LYS 62 HA LYS 62 23.306 9.591 8.891 446 1HB LYS 62 2HB LYS 62 24.216 7.813 10.274 447 2HB LYS 62 1HB LYS 62 22.732 6.896 10.123 448 1HG LYS 62 2HG LYS 62 23.491 7.239 7.478 449 2HG LYS 62 1HG LYS 62 25.040 7.091 8.313 450 1HD LYS 62 2HD LYS 62 23.818 5.082 9.541 451 2HD LYS 62 1HD LYS 62 22.817 5.098 8.084 452 1HE LYS 62 2HE LYS 62 24.819 4.868 6.681 453 2HE LYS 62 1HE LYS 62 25.840 4.941 8.106 454 1HZ LYS 62 2HZ LYS 62 24.641 2.874 8.881 455 2HZ LYS 62 1HZ LYS 62 23.975 2.754 7.310 456 3HZ LYS 62 3HZ LYS 62 25.650 2.696 7.538 457 H ILE 63 H ILE 63 20.406 7.739 9.704 458 HA ILE 63 HA ILE 63 19.575 7.197 7.021 459 HB ILE 63 HB ILE 63 17.846 7.343 9.509 460 1HG1 ILE 63 2HG1 ILE 63 19.922 5.703 9.396 461 2HG1 ILE 63 1HG1 ILE 63 18.400 5.181 10.064 462 1HG2 ILE 63 3HG2 ILE 63 17.333 5.990 6.868 463 2HG2 ILE 63 2HG2 ILE 63 16.370 5.752 8.321 464 3HG2 ILE 63 1HG2 ILE 63 16.439 7.342 7.562 465 1HD1 ILE 63 3HD1 ILE 63 18.293 4.539 7.319 466 2HD1 ILE 63 2HD1 ILE 63 19.928 4.143 7.837 467 3HD1 ILE 63 1HD1 ILE 63 18.543 3.432 8.667 468 H VAL 64 H VAL 64 18.774 9.875 9.241 469 HA VAL 64 HA VAL 64 16.866 11.148 7.534 470 HB VAL 64 HB VAL 64 18.543 12.336 9.766 471 1HG1 VAL 64 3HG1 VAL 64 17.476 14.048 8.296 472 2HG1 VAL 64 2HG1 VAL 64 15.899 13.349 8.641 473 3HG1 VAL 64 1HG1 VAL 64 16.850 14.077 9.936 474 1HG2 VAL 64 3HG2 VAL 64 17.130 10.431 10.518 475 2HG2 VAL 64 2HG2 VAL 64 16.651 11.964 11.231 476 3HG2 VAL 64 1HG2 VAL 64 15.711 11.276 9.905 477 H THR 65 H THR 65 20.298 11.777 8.136 478 HA THR 65 HA THR 65 20.682 13.929 6.385 479 HB THR 65 HB THR 65 23.043 13.177 6.332 480 HG1 THR 65 HG1 THR 65 23.578 11.277 6.926 481 1HG2 THR 65 3HG2 THR 65 21.541 13.856 8.776 482 2HG2 THR 65 2HG2 THR 65 23.172 13.260 9.036 483 3HG2 THR 65 1HG2 THR 65 22.908 14.676 8.029 484 H LEU 66 H LEU 66 20.834 10.479 5.705 485 HA LEU 66 HA LEU 66 21.584 10.877 2.947 486 1HB LEU 66 2HB LEU 66 21.760 8.578 2.719 487 2HB LEU 66 1HB LEU 66 22.159 8.876 4.397 488 HG LEU 66 HG LEU 66 19.534 8.277 4.683 489 1HD1 LEU 66 3HD1 LEU 66 20.466 6.975 2.115 490 2HD1 LEU 66 2HD1 LEU 66 19.146 6.312 3.073 491 3HD1 LEU 66 1HD1 LEU 66 18.994 7.911 2.362 492 1HD2 LEU 66 2HD2 LEU 66 21.546 7.129 5.698 493 2HD2 LEU 66 1HD2 LEU 66 20.270 6.000 5.218 494 3HD2 LEU 66 3HD2 LEU 66 21.700 6.202 4.216 495 H ASN 67 H ASN 67 18.429 10.497 4.452 496 HA ASN 67 HA ASN 67 16.299 10.890 3.650 497 1HB ASN 67 2HB ASN 67 17.815 12.074 1.364 498 2HB ASN 67 1HB ASN 67 16.057 12.102 1.457 499 1HD2 ASN 67 2HD2 ASN 67 16.224 15.038 3.427 500 2HD2 ASN 67 1HD2 ASN 67 15.278 14.079 2.383 501 HA PRO 68 HA PRO 68 15.895 7.255 0.875 502 1HB PRO 68 2HB PRO 68 14.128 5.847 2.423 503 2HB PRO 68 1HB PRO 68 15.883 5.828 2.651 504 1HG PRO 68 2HG PRO 68 13.827 7.030 4.347 505 2HG PRO 68 1HG PRO 68 15.519 6.633 4.715 506 1HD PRO 68 2HD PRO 68 14.409 9.225 4.032 507 2HD PRO 68 1HD PRO 68 16.066 8.848 4.512 508 HA PRO 69 HA PRO 69 11.946 8.389 -1.014 509 1HB PRO 69 2HB PRO 69 11.070 6.088 -2.119 510 2HB PRO 69 1HB PRO 69 12.443 6.989 -2.759 511 1HG PRO 69 2HG PRO 69 12.416 4.426 -1.302 512 2HG PRO 69 1HG PRO 69 13.666 5.125 -2.371 513 1HD PRO 69 2HD PRO 69 13.695 5.054 0.493 514 2HD PRO 69 1HD PRO 69 14.857 5.864 -0.586 515 H ASN 70 H ASN 70 9.609 8.228 -0.955 516 HA ASN 70 HA ASN 70 8.445 7.516 1.606 517 1HB ASN 70 2HB ASN 70 7.780 9.216 -0.590 518 2HB ASN 70 1HB ASN 70 6.464 8.054 -0.443 519 1HD2 ASN 70 2HD2 ASN 70 5.192 9.730 2.404 520 2HD2 ASN 70 1HD2 ASN 70 4.849 8.705 1.112 521 H CYS 71 H CYS 71 8.661 5.283 1.822 522 HA CYS 71 HA CYS 71 6.718 3.563 0.448 523 1HB CYS 71 2HB CYS 71 8.165 2.184 -0.609 524 2HB CYS 71 1HB CYS 71 9.109 3.646 -0.713 525 H ASP 72 H ASP 72 7.052 1.216 1.356 526 HA ASP 72 HA ASP 72 7.315 1.321 4.319 527 1HB ASP 72 2HB ASP 72 4.974 0.273 2.697 528 2HB ASP 72 1HB ASP 72 5.216 -0.133 4.383 529 H LEU 73 H LEU 73 8.623 -0.267 5.006 530 HA LEU 73 HA LEU 73 9.089 -2.727 3.393 531 1HB LEU 73 2HB LEU 73 10.921 -0.866 3.882 532 2HB LEU 73 1HB LEU 73 11.072 -1.737 5.396 533 HG LEU 73 HG LEU 73 11.014 -3.509 3.053 534 1HD1 LEU 73 3HD1 LEU 73 12.196 -1.605 2.008 535 2HD1 LEU 73 2HD1 LEU 73 13.343 -1.585 3.347 536 3HD1 LEU 73 1HD1 LEU 73 13.274 -2.973 2.268 537 1HD2 LEU 73 1HD2 LEU 73 11.644 -4.067 5.456 538 2HD2 LEU 73 3HD2 LEU 73 12.808 -4.583 4.241 539 3HD2 LEU 73 2HD2 LEU 73 13.125 -3.144 5.202 540 H THR 74 H THR 74 8.181 -4.487 4.269 541 HA THR 74 HA THR 74 7.458 -4.674 7.067 542 HB THR 74 HB THR 74 6.465 -6.823 6.346 543 HG1 THR 74 HG1 THR 74 7.616 -7.591 4.700 544 1HG2 THR 74 2HG2 THR 74 5.767 -4.438 4.636 545 2HG2 THR 74 1HG2 THR 74 4.779 -5.892 4.772 546 3HG2 THR 74 3HG2 THR 74 5.075 -4.893 6.193 547 H VAL 75 H VAL 75 8.605 -5.674 8.605 548 HA VAL 75 HA VAL 75 11.197 -6.789 7.929 549 HB VAL 75 HB VAL 75 9.929 -6.697 10.679 550 1HG1 VAL 75 2HG1 VAL 75 12.029 -8.079 10.314 551 2HG1 VAL 75 1HG1 VAL 75 12.855 -6.586 9.877 552 3HG1 VAL 75 3HG1 VAL 75 12.196 -6.783 11.502 553 1HG2 VAL 75 3HG2 VAL 75 11.438 -4.579 9.129 554 2HG2 VAL 75 2HG2 VAL 75 9.876 -4.430 9.926 555 3HG2 VAL 75 1HG2 VAL 75 11.347 -4.549 10.892 556 HA PRO 76 HA PRO 76 9.440 -10.933 7.654 557 1HB PRO 76 2HB PRO 76 11.667 -12.113 6.609 558 2HB PRO 76 1HB PRO 76 10.544 -11.129 5.660 559 1HG PRO 76 2HG PRO 76 13.269 -10.456 6.610 560 2HG PRO 76 1HG PRO 76 12.372 -9.830 5.216 561 1HD PRO 76 2HD PRO 76 12.730 -8.515 7.672 562 2HD PRO 76 1HD PRO 76 11.611 -8.061 6.366 563 H THR 77 H THR 77 10.373 -10.115 10.293 564 HA THR 77 HA THR 77 10.987 -12.646 11.464 565 HB THR 77 HB THR 77 13.218 -12.114 10.840 566 HG1 THR 77 HG1 THR 77 14.203 -12.118 12.881 567 1HG2 THR 77 2HG2 THR 77 12.812 -9.427 12.169 568 2HG2 THR 77 1HG2 THR 77 14.396 -10.064 11.755 569 3HG2 THR 77 3HG2 THR 77 13.216 -9.753 10.484 570 H SER 78 H SER 78 10.777 -9.121 12.158 571 HA SER 78 HA SER 78 10.053 -9.522 14.915 572 1HB SER 78 2HB SER 78 9.256 -7.116 14.839 573 2HB SER 78 1HB SER 78 10.949 -7.335 14.483 574 HG SER 78 HG SER 78 9.689 -5.931 13.059 575 H GLY 79 H GLY 79 8.169 -8.716 12.041 576 1HA GLY 79 2HA GLY 79 5.973 -9.686 11.642 577 2HA GLY 79 1HA GLY 79 5.694 -9.685 13.376 578 H LEU 80 H LEU 80 7.163 -6.764 12.148 579 HA LEU 80 HA LEU 80 4.575 -5.350 12.059 580 1HB LEU 80 2HB LEU 80 6.557 -5.096 14.053 581 2HB LEU 80 1HB LEU 80 6.778 -3.710 13.018 582 HG LEU 80 HG LEU 80 5.331 -3.371 15.025 583 1HD1 LEU 80 2HD1 LEU 80 5.211 -2.147 12.684 584 2HD1 LEU 80 1HD1 LEU 80 3.578 -2.820 12.701 585 3HD1 LEU 80 3HD1 LEU 80 4.112 -1.768 14.011 586 1HD2 LEU 80 1HD2 LEU 80 4.080 -5.661 14.629 587 2HD2 LEU 80 3HD2 LEU 80 3.188 -4.271 15.243 588 3HD2 LEU 80 2HD2 LEU 80 3.079 -4.705 13.540 589 H VAL 81 H VAL 81 4.607 -3.468 10.801 590 HA VAL 81 HA VAL 81 6.298 -3.537 8.384 591 HB VAL 81 HB VAL 81 3.870 -1.851 9.003 592 1HG1 VAL 81 1HG1 VAL 81 5.329 -1.139 7.093 593 2HG1 VAL 81 3HG1 VAL 81 4.956 -2.669 6.299 594 3HG1 VAL 81 2HG1 VAL 81 3.669 -1.508 6.635 595 1HG2 VAL 81 1HG2 VAL 81 3.339 -4.345 9.074 596 2HG2 VAL 81 3HG2 VAL 81 2.450 -3.428 7.867 597 3HG2 VAL 81 2HG2 VAL 81 3.814 -4.425 7.383 598 H LEU 82 H LEU 82 7.860 -1.910 8.025 599 HA LEU 82 HA LEU 82 7.804 0.483 9.785 600 1HB LEU 82 2HB LEU 82 9.695 -1.357 10.069 601 2HB LEU 82 1HB LEU 82 10.388 -0.535 8.675 602 HG LEU 82 HG LEU 82 10.212 1.630 9.990 603 1HD1 LEU 82 3HD1 LEU 82 9.296 -0.329 12.085 604 2HD1 LEU 82 2HD1 LEU 82 10.224 1.089 12.564 605 3HD1 LEU 82 1HD1 LEU 82 8.688 1.287 11.737 606 1HD2 LEU 82 2HD2 LEU 82 12.249 0.038 9.787 607 2HD2 LEU 82 1HD2 LEU 82 12.277 1.250 11.069 608 3HD2 LEU 82 3HD2 LEU 82 11.869 -0.423 11.446 609 H ASN 83 H ASN 83 7.266 2.173 8.680 610 HA ASN 83 HA ASN 83 7.246 2.591 5.895 611 1HB ASN 83 2HB ASN 83 6.001 3.925 7.686 612 2HB ASN 83 1HB ASN 83 7.506 4.772 7.975 613 1HD2 ASN 83 2HD2 ASN 83 5.123 5.877 4.913 614 2HD2 ASN 83 1HD2 ASN 83 4.652 4.677 6.015 615 H VAL 84 H VAL 84 9.635 3.533 8.220 616 HA VAL 84 HA VAL 84 11.684 3.911 8.162 617 HB VAL 84 HB VAL 84 11.575 2.743 5.401 618 1HG1 VAL 84 3HG1 VAL 84 14.035 3.894 6.740 619 2HG1 VAL 84 2HG1 VAL 84 14.114 2.638 5.504 620 3HG1 VAL 84 1HG1 VAL 84 13.447 4.219 5.108 621 1HG2 VAL 84 3HG2 VAL 84 12.811 1.943 8.037 622 2HG2 VAL 84 2HG2 VAL 84 11.342 1.276 7.320 623 3HG2 VAL 84 1HG2 VAL 84 12.907 0.986 6.559 624 H TYR 85 H TYR 85 10.148 5.415 5.364 625 HA TYR 85 HA TYR 85 11.837 7.726 5.114 626 1HB TYR 85 2HB TYR 85 10.154 7.059 3.400 627 2HB TYR 85 1HB TYR 85 8.853 7.435 4.498 628 HD1 TYR 85 HD1 TYR 85 8.595 9.900 5.306 629 HD2 TYR 85 HD2 TYR 85 11.192 8.728 2.091 630 HE1 TYR 85 HE1 TYR 85 8.681 12.241 4.519 631 HE2 TYR 85 HE2 TYR 85 11.278 11.065 1.305 632 HH TYR 85 HH TYR 85 10.943 13.413 2.449 633 H SER 86 H SER 86 8.610 7.360 6.569 634 HA SER 86 HA SER 86 8.578 9.811 8.016 635 1HB SER 86 2HB SER 86 6.554 8.379 7.429 636 2HB SER 86 1HB SER 86 7.012 7.335 8.760 637 HG SER 86 HG SER 86 5.468 9.129 9.211 638 H TYR 87 H TYR 87 9.786 6.685 8.971 639 HA TYR 87 HA TYR 87 10.076 6.831 11.733 640 1HB TYR 87 2HB TYR 87 10.651 4.930 10.269 641 2HB TYR 87 1HB TYR 87 11.988 5.839 9.637 642 HD1 TYR 87 HD2 TYR 87 10.749 5.120 13.122 643 HD2 TYR 87 HD1 TYR 87 13.974 5.084 10.302 644 HE1 TYR 87 HE2 TYR 87 12.279 4.256 14.901 645 HE2 TYR 87 HE1 TYR 87 15.517 4.221 12.070 646 HH TYR 87 HH TYR 87 15.266 2.905 14.278 647 H ALA 88 H ALA 88 12.572 7.703 9.399 648 HA ALA 88 HA ALA 88 14.600 8.765 10.825 649 1HB ALA 88 3HB ALA 88 13.498 9.065 8.115 650 2HB ALA 88 2HB ALA 88 14.662 10.306 8.587 651 3HB ALA 88 1HB ALA 88 15.113 8.598 8.642 652 H ASN 89 H ASN 89 12.352 11.049 9.326 653 HA ASN 89 HA ASN 89 13.140 13.227 10.994 654 1HB ASN 89 2HB ASN 89 10.950 14.352 10.146 655 2HB ASN 89 1HB ASN 89 12.237 14.028 9.008 656 1HD2 ASN 89 2HD2 ASN 89 10.218 11.741 7.115 657 2HD2 ASN 89 1HD2 ASN 89 11.790 12.335 7.303 658 H GLY 90 H GLY 90 10.464 10.931 11.330 659 1HA GLY 90 2HA GLY 90 8.917 12.122 13.309 660 2HA GLY 90 1HA GLY 90 9.097 10.391 13.103 661 H PHE 91 H PHE 91 11.825 10.065 13.794 662 HA PHE 91 HA PHE 91 11.822 9.828 16.582 663 1HB PHE 91 2HB PHE 91 13.535 8.936 14.727 664 2HB PHE 91 1HB PHE 91 14.464 10.330 15.214 665 HD1 PHE 91 HD1 PHE 91 14.786 10.611 17.871 666 HD2 PHE 91 HD2 PHE 91 13.775 6.932 15.888 667 HE1 PHE 91 HE1 PHE 91 15.621 9.337 19.818 668 HE2 PHE 91 HE2 PHE 91 14.611 5.661 17.837 669 HZ PHE 91 HZ PHE 91 15.536 6.857 19.805 670 H SER 92 H SER 92 13.323 12.446 14.663 671 HA SER 92 HA SER 92 14.295 14.011 16.816 672 1HB SER 92 2HB SER 92 13.290 15.120 14.163 673 2HB SER 92 1HB SER 92 14.475 15.840 15.224 674 HG SER 92 HG SER 92 15.276 14.606 13.307 675 H ASN 93 H ASN 93 11.177 14.140 15.144 676 HA ASN 93 HA ASN 93 9.933 16.283 16.457 677 1HB ASN 93 2HB ASN 93 9.223 14.479 14.496 678 2HB ASN 93 1HB ASN 93 8.178 13.986 15.805 679 1HD2 ASN 93 2HD2 ASN 93 6.692 16.759 13.614 680 2HD2 ASN 93 1HD2 ASN 93 7.517 15.348 13.156 681 H LYS 94 H LYS 94 9.805 12.807 17.255 682 HA LYS 94 HA LYS 94 8.254 13.060 19.635 683 1HB LYS 94 2HB LYS 94 8.693 10.937 18.209 684 2HB LYS 94 1HB LYS 94 10.174 10.772 19.140 685 1HG LYS 94 2HG LYS 94 8.745 9.508 20.441 686 2HG LYS 94 1HG LYS 94 8.523 11.084 21.193 687 1HD LYS 94 2HD LYS 94 6.537 11.479 19.756 688 2HD LYS 94 1HD LYS 94 6.712 9.877 19.068 689 1HE LYS 94 2HE LYS 94 6.426 10.287 22.047 690 2HE LYS 94 1HE LYS 94 5.020 10.205 20.999 691 1HZ LYS 94 3HZ LYS 94 5.815 8.010 20.225 692 2HZ LYS 94 2HZ LYS 94 7.098 8.101 21.351 693 3HZ LYS 94 1HZ LYS 94 5.496 8.033 21.887 694 H CYS 95 H CYS 95 11.746 13.097 19.080 695 HA CYS 95 HA CYS 95 12.516 13.081 21.858 696 1HB CYS 95 2HB CYS 95 14.000 12.548 19.813 697 2HB CYS 95 1HB CYS 95 14.146 14.284 19.581 698 H SER 96 H SER 96 11.542 15.645 19.588 699 HA SER 96 HA SER 96 12.327 17.860 21.233 700 1HB SER 96 2HB SER 96 10.432 17.615 18.879 701 2HB SER 96 1HB SER 96 10.455 19.071 19.844 702 HG SER 96 HG SER 96 11.895 19.033 17.982 703 H SER 97 H SER 97 9.249 16.193 20.719 704 HA SER 97 HA SER 97 7.730 17.685 22.612 705 1HB SER 97 2HB SER 97 6.172 15.601 22.562 706 2HB SER 97 1HB SER 97 6.349 16.546 21.111 707 HG SER 97 HG SER 97 7.063 13.943 21.690 708 H LEU 98 HN LEU 98 9.773 14.864 23.007 709 HA LEU 98 HA LEU 98 8.941 14.278 25.722 710 1HB LEU 98 2HB LEU 98 9.518 12.458 24.313 711 2HB LEU 98 1HB LEU 98 10.973 13.217 23.779 712 HG LEU 98 HG LEU 98 10.866 11.134 25.421 713 1HD1 LEU 98 1HD1 LEU 98 12.867 12.010 24.421 714 2HD1 LEU 98 3HD1 LEU 98 12.910 13.340 25.575 715 3HD1 LEU 98 2HD1 LEU 98 13.157 11.684 26.132 716 1HD2 LEU 98 2HD2 LEU 98 9.795 12.760 27.254 717 2HD2 LEU 98 1HD2 LEU 98 10.993 11.553 27.712 718 3HD2 LEU 98 3HD2 LEU 98 11.480 13.231 27.483 No H/Q in entry = 718 Start of MODEL 2 1 1H THR 1 3H THR 1 2.995 -1.636 3.135 2 2H THR 1 2H THR 1 1.531 -2.277 2.541 3 3H THR 1 1H THR 1 2.544 -3.227 3.511 4 HA THR 1 HA THR 1 4.255 -3.155 1.809 5 HB THR 1 HB THR 1 2.796 -4.424 0.011 6 HG1 THR 1 HG1 THR 1 0.897 -4.905 1.948 7 1HG2 THR 1 2HG2 THR 1 4.343 -5.430 1.608 8 2HG2 THR 1 1HG2 THR 1 3.104 -5.395 2.862 9 3HG2 THR 1 3HG2 THR 1 2.894 -6.413 1.436 10 H ALA 2 H ALA 2 4.762 -0.994 1.293 11 HA ALA 2 HA ALA 2 3.433 0.118 -1.135 12 1HB ALA 2 3HB ALA 2 3.806 1.350 1.316 13 2HB ALA 2 2HB ALA 2 5.075 2.035 0.300 14 3HB ALA 2 1HB ALA 2 3.390 2.127 -0.206 15 H CYS 3 H CYS 3 6.669 -0.537 0.254 16 HA CYS 3 HA CYS 3 8.014 0.645 -2.016 17 1HB CYS 3 2HB CYS 3 9.527 -1.466 -0.615 18 2HB CYS 3 1HB CYS 3 10.037 0.111 -1.097 19 H THR 4 H THR 4 8.575 -0.223 -3.826 20 HA THR 4 HA THR 4 8.323 -3.108 -4.384 21 HB THR 4 HB THR 4 6.922 -0.825 -5.794 22 HG1 THR 4 HG1 THR 4 5.130 -2.046 -5.432 23 1HG2 THR 4 1HG2 THR 4 7.646 -3.510 -6.958 24 2HG2 THR 4 3HG2 THR 4 6.238 -2.596 -7.511 25 3HG2 THR 4 2HG2 THR 4 7.855 -1.904 -7.660 26 H ALA 5 H ALA 5 9.920 -3.872 -5.620 27 HA ALA 5 HA ALA 5 12.028 -4.081 -6.420 28 1HB ALA 5 3HB ALA 5 10.640 -3.897 -8.395 29 2HB ALA 5 2HB ALA 5 10.798 -2.145 -8.399 30 3HB ALA 5 1HB ALA 5 12.210 -3.160 -8.708 31 H THR 6 H THR 6 12.264 -0.822 -7.649 32 HA THR 6 HA THR 6 14.832 -0.250 -6.708 33 HB THR 6 HB THR 6 14.280 2.113 -7.175 34 HG1 THR 6 HG1 THR 6 11.591 1.218 -7.455 35 1HG2 THR 6 3HG2 THR 6 14.113 -0.069 -9.011 36 2HG2 THR 6 2HG2 THR 6 13.016 1.201 -9.542 37 3HG2 THR 6 1HG2 THR 6 14.717 1.564 -9.264 38 H GLN 7 H GLN 7 11.738 0.526 -5.172 39 HA GLN 7 HA GLN 7 12.877 1.967 -2.959 40 1HB GLN 7 2HB GLN 7 10.146 1.157 -3.812 41 2HB GLN 7 1HB GLN 7 10.358 1.465 -2.092 42 1HG GLN 7 2HG GLN 7 10.747 3.692 -2.383 43 2HG GLN 7 1HG GLN 7 11.567 3.453 -3.930 44 1HE2 GLN 7 2HE2 GLN 7 7.447 3.617 -3.967 45 2HE2 GLN 7 1HE2 GLN 7 8.211 2.954 -2.615 46 H GLN 8 H GLN 8 12.013 -1.401 -3.466 47 HA GLN 8 HA GLN 8 12.280 -2.151 -0.699 48 1HB GLN 8 2HB GLN 8 11.332 -3.601 -2.815 49 2HB GLN 8 1HB GLN 8 12.977 -4.192 -2.803 50 1HG GLN 8 2HG GLN 8 12.634 -5.455 -0.997 51 2HG GLN 8 1HG GLN 8 11.903 -4.144 -0.102 52 1HE2 GLN 8 2HE2 GLN 8 9.482 -7.004 -1.431 53 2HE2 GLN 8 1HE2 GLN 8 11.157 -7.200 -1.259 54 H THR 9 H THR 9 14.428 -2.290 -3.508 55 HA THR 9 HA THR 9 16.743 -3.217 -2.155 56 HB THR 9 HB THR 9 17.943 -2.161 -4.107 57 HG1 THR 9 HG1 THR 9 16.852 -0.844 -5.286 58 1HG2 THR 9 2HG2 THR 9 17.346 -4.480 -3.914 59 2HG2 THR 9 1HG2 THR 9 15.797 -4.160 -4.712 60 3HG2 THR 9 3HG2 THR 9 17.316 -3.929 -5.582 61 H ALA 10 H ALA 10 15.352 0.032 -2.627 62 HA ALA 10 HA ALA 10 17.617 1.540 -1.761 63 1HB ALA 10 2HB ALA 10 14.649 2.255 -1.575 64 2HB ALA 10 1HB ALA 10 15.980 3.381 -1.344 65 3HB ALA 10 3HB ALA 10 15.722 2.647 -2.918 66 H ALA 11 H ALA 11 14.715 0.364 -0.100 67 HA ALA 11 HA ALA 11 15.555 1.164 2.513 68 1HB ALA 11 1HB ALA 11 13.173 0.674 2.003 69 2HB ALA 11 3HB ALA 11 13.556 -1.041 1.822 70 3HB ALA 11 2HB ALA 11 13.753 -0.246 3.388 71 H TYR 12 H TYR 12 16.242 -1.734 0.625 72 HA TYR 12 HA TYR 12 17.317 -3.288 2.810 73 1HB TYR 12 2HB TYR 12 17.238 -3.596 -0.156 74 2HB TYR 12 1HB TYR 12 18.616 -4.330 0.641 75 HD1 TYR 12 HD1 TYR 12 15.167 -3.909 1.977 76 HD2 TYR 12 HD2 TYR 12 18.123 -6.664 0.517 77 HE1 TYR 12 HE1 TYR 12 13.728 -5.791 2.665 78 HE2 TYR 12 HE2 TYR 12 16.682 -8.551 1.209 79 HH TYR 12 HH TYR 12 13.400 -8.121 2.410 80 H LYS 13 H LYS 13 18.878 -1.277 0.284 81 HA LYS 13 HA LYS 13 21.551 -1.716 1.124 82 1HB LYS 13 2HB LYS 13 20.794 -0.688 -1.053 83 2HB LYS 13 1HB LYS 13 20.455 0.806 -0.202 84 1HG LYS 13 2HG LYS 13 23.028 0.408 0.577 85 2HG LYS 13 1HG LYS 13 23.066 -0.426 -0.967 86 1HD LYS 13 2HD LYS 13 22.884 1.501 -2.170 87 2HD LYS 13 1HD LYS 13 21.737 2.214 -1.057 88 1HE LYS 13 2HE LYS 13 24.733 2.040 -0.592 89 2HE LYS 13 1HE LYS 13 23.877 3.457 -1.173 90 1HZ LYS 13 3HZ LYS 13 22.486 3.154 0.966 91 2HZ LYS 13 2HZ LYS 13 23.798 2.205 1.490 92 3HZ LYS 13 1HZ LYS 13 24.034 3.836 1.083 93 H THR 14 H THR 14 19.228 0.862 2.026 94 HA THR 14 HA THR 14 20.980 2.117 3.921 95 HB THR 14 HB THR 14 17.948 2.355 3.850 96 HG1 THR 14 HG1 THR 14 19.924 3.769 2.372 97 1HG2 THR 14 2HG2 THR 14 20.151 3.918 5.109 98 2HG2 THR 14 1HG2 THR 14 18.793 4.817 4.452 99 3HG2 THR 14 3HG2 THR 14 18.523 3.598 5.697 100 H LEU 15 H LEU 15 18.063 0.148 4.562 101 HA LEU 15 HA LEU 15 18.385 -0.109 7.357 102 1HB LEU 15 2HB LEU 15 16.303 -0.596 6.119 103 2HB LEU 15 1HB LEU 15 17.017 -2.073 5.512 104 HG LEU 15 HG LEU 15 17.236 -1.860 8.431 105 1HD1 LEU 15 1HD1 LEU 15 14.924 -0.722 7.643 106 2HD1 LEU 15 3HD1 LEU 15 14.440 -2.421 7.603 107 3HD1 LEU 15 2HD1 LEU 15 15.066 -1.721 9.090 108 1HD2 LEU 15 3HD2 LEU 15 16.015 -3.898 6.534 109 2HD2 LEU 15 2HD2 LEU 15 17.597 -3.988 7.311 110 3HD2 LEU 15 1HD2 LEU 15 16.130 -4.110 8.278 111 H VAL 16 H VAL 16 19.380 -2.531 4.883 112 HA VAL 16 HA VAL 16 20.494 -4.290 6.837 113 HB VAL 16 HB VAL 16 21.284 -4.228 3.893 114 1HG1 VAL 16 1HG1 VAL 16 21.157 -6.436 5.958 115 2HG1 VAL 16 3HG1 VAL 16 21.629 -6.638 4.269 116 3HG1 VAL 16 2HG1 VAL 16 22.641 -5.675 5.357 117 1HG2 VAL 16 2HG2 VAL 16 18.682 -4.476 4.690 118 2HG2 VAL 16 1HG2 VAL 16 19.356 -5.328 3.308 119 3HG2 VAL 16 3HG2 VAL 16 19.215 -6.142 4.861 120 H SER 17 H SER 17 22.099 -1.788 4.784 121 HA SER 17 HA SER 17 24.690 -2.308 5.892 122 1HB SER 17 2HB SER 17 23.643 0.176 4.508 123 2HB SER 17 1HB SER 17 25.319 -0.067 4.976 124 HG SER 17 HG SER 17 24.667 -0.750 2.755 125 H ILE 18 H ILE 18 21.989 -0.577 7.266 126 HA ILE 18 HA ILE 18 23.437 1.226 8.906 127 HB ILE 18 HB ILE 18 20.872 1.196 8.569 128 1HG1 ILE 18 2HG1 ILE 18 22.132 2.752 10.047 129 2HG1 ILE 18 1HG1 ILE 18 20.493 2.437 10.577 130 1HG2 ILE 18 2HG2 ILE 18 20.877 -1.242 9.783 131 2HG2 ILE 18 1HG2 ILE 18 20.446 -0.191 11.124 132 3HG2 ILE 18 3HG2 ILE 18 19.479 -0.188 9.648 133 1HD1 ILE 18 2HD1 ILE 18 21.971 0.521 11.949 134 2HD1 ILE 18 1HD1 ILE 18 23.057 1.892 11.904 135 3HD1 ILE 18 3HD1 ILE 18 21.463 2.060 12.628 136 H LEU 19 H LEU 19 22.708 -2.250 9.406 137 HA LEU 19 HA LEU 19 23.981 -2.075 11.989 138 1HB LEU 19 2HB LEU 19 23.578 -4.662 11.971 139 2HB LEU 19 1HB LEU 19 22.171 -3.632 12.103 140 HG LEU 19 HG LEU 19 22.942 -4.228 9.352 141 1HD1 LEU 19 3HD1 LEU 19 22.328 -6.478 11.250 142 2HD1 LEU 19 2HD1 LEU 19 21.824 -6.579 9.564 143 3HD1 LEU 19 1HD1 LEU 19 23.527 -6.404 9.959 144 1HD2 LEU 19 3HD2 LEU 19 20.712 -3.274 10.504 145 2HD2 LEU 19 2HD2 LEU 19 20.675 -4.145 8.976 146 3HD2 LEU 19 1HD2 LEU 19 20.281 -4.984 10.473 147 H SER 20 H SER 20 24.984 -4.885 10.420 148 HA SER 20 HA SER 20 27.229 -5.607 10.091 149 1HB SER 20 2HB SER 20 25.926 -5.008 7.927 150 2HB SER 20 1HB SER 20 26.915 -3.565 7.890 151 HG SER 20 HG SER 20 28.280 -4.870 6.882 152 H ASP 21 H ASP 21 27.269 -3.639 12.096 153 HA ASP 21 HA ASP 21 29.978 -2.554 11.968 154 1HB ASP 21 2HB ASP 21 28.666 -0.956 10.640 155 2HB ASP 21 1HB ASP 21 27.539 -0.805 11.955 156 H ALA 22 H ALA 22 30.553 -1.529 13.981 157 HA ALA 22 HA ALA 22 29.401 -2.714 16.329 158 1HB ALA 22 2HB ALA 22 31.571 -0.615 16.060 159 2HB ALA 22 1HB ALA 22 31.092 -1.383 17.574 160 3HB ALA 22 3HB ALA 22 31.779 -2.354 16.278 161 H SER 23 H SER 23 28.455 0.217 14.708 162 HA SER 23 HA SER 23 27.699 1.682 17.067 163 1HB SER 23 2HB SER 23 28.112 2.741 14.783 164 2HB SER 23 1HB SER 23 26.550 2.108 14.295 165 HG SER 23 HG SER 23 26.230 4.173 15.121 166 H PHE 24 H PHE 24 25.715 -0.110 14.646 167 HA PHE 24 HA PHE 24 23.269 0.205 16.036 168 1HB PHE 24 2HB PHE 24 23.618 -0.577 13.643 169 2HB PHE 24 1HB PHE 24 24.008 -2.152 14.237 170 HD1 PHE 24 HD1 PHE 24 21.386 0.387 13.930 171 HD2 PHE 24 HD2 PHE 24 22.215 -3.670 15.045 172 HE1 PHE 24 HE1 PHE 24 18.960 -0.085 13.954 173 HE2 PHE 24 HE2 PHE 24 19.787 -4.149 15.071 174 HZ PHE 24 HZ PHE 24 18.157 -2.360 14.526 175 H ASN 25 H ASN 25 25.735 -2.302 16.399 176 HA ASN 25 HA ASN 25 24.432 -3.956 18.289 177 1HB ASN 25 2HB ASN 25 26.930 -4.008 17.109 178 2HB ASN 25 1HB ASN 25 27.324 -3.575 18.761 179 1HD2 ASN 25 2HD2 ASN 25 27.072 -6.950 19.764 180 2HD2 ASN 25 1HD2 ASN 25 27.859 -5.458 19.947 181 H GLN 26 H GLN 26 26.268 -0.961 18.663 182 HA GLN 26 HA GLN 26 26.519 -0.995 21.463 183 1HB GLN 26 2HB GLN 26 26.520 1.288 19.504 184 2HB GLN 26 1HB GLN 26 26.638 1.591 21.227 185 1HG GLN 26 2HG GLN 26 28.531 -0.305 19.864 186 2HG GLN 26 1HG GLN 26 28.782 1.443 19.788 187 1HE2 GLN 26 2HE2 GLN 26 29.523 -0.544 23.257 188 2HE2 GLN 26 1HE2 GLN 26 28.864 -1.369 21.931 189 H CYS 27 H CYS 27 24.146 0.672 19.411 190 HA CYS 27 HA CYS 27 22.494 1.775 21.433 191 1HB CYS 27 2HB CYS 27 22.044 2.171 18.950 192 2HB CYS 27 1HB CYS 27 21.313 0.579 18.892 193 H SER 28 H SER 28 22.093 -1.319 19.706 194 HA SER 28 HA SER 28 19.965 -2.334 21.276 195 1HB SER 28 2HB SER 28 20.716 -4.648 20.533 196 2HB SER 28 1HB SER 28 20.489 -3.507 19.232 197 HG SER 28 HG SER 28 22.823 -4.640 20.313 198 H THR 29 H THR 29 23.430 -2.368 21.937 199 HA THR 29 HA THR 29 23.305 -4.051 24.256 200 HB THR 29 HB THR 29 25.358 -2.195 23.056 201 HG1 THR 29 HG1 THR 29 25.467 -4.144 22.179 202 1HG2 THR 29 2HG2 THR 29 25.473 -3.325 25.843 203 2HG2 THR 29 1HG2 THR 29 26.947 -3.198 24.892 204 3HG2 THR 29 3HG2 THR 29 26.006 -1.753 25.251 205 H ASP 30 H ASP 30 23.327 -0.537 23.839 206 HA ASP 30 HA ASP 30 23.280 0.332 26.481 207 1HB ASP 30 2HB ASP 30 22.253 1.552 23.962 208 2HB ASP 30 1HB ASP 30 21.864 2.313 25.494 209 H SER 31 H SER 31 20.371 -0.276 24.549 210 HA SER 31 HA SER 31 18.814 -0.382 27.093 211 1HB SER 31 2HB SER 31 18.348 1.368 24.972 212 2HB SER 31 1HB SER 31 17.143 0.112 24.762 213 HG SER 31 HG SER 31 16.419 0.523 26.839 214 H GLY 32 H GLY 32 18.707 -1.661 23.730 215 1HA GLY 32 2HA GLY 32 18.564 -4.054 23.317 216 2HA GLY 32 1HA GLY 32 17.683 -4.220 24.812 217 H TYR 33 H TYR 33 17.254 -2.217 21.910 218 HA TYR 33 HA TYR 33 14.381 -3.008 21.795 219 1HB TYR 33 2HB TYR 33 14.408 -0.658 21.829 220 2HB TYR 33 1HB TYR 33 15.896 -0.562 20.930 221 HD1 TYR 33 HD1 TYR 33 12.427 -2.056 20.128 222 HD2 TYR 33 HD2 TYR 33 15.592 0.643 19.018 223 HE1 TYR 33 HE1 TYR 33 11.216 -1.450 18.083 224 HE2 TYR 33 HE2 TYR 33 14.375 1.237 16.985 225 HH TYR 33 HH TYR 33 12.529 -0.088 15.486 226 H SER 34 H SER 34 17.031 -2.274 19.576 227 HA SER 34 HA SER 34 17.885 -3.252 17.725 228 1HB SER 34 2HB SER 34 16.968 -5.478 19.244 229 2HB SER 34 1HB SER 34 16.436 -5.758 17.600 230 HG SER 34 HG SER 34 18.470 -6.446 17.506 231 H MET 35 H MET 35 16.888 -1.698 16.476 232 HA MET 35 HA MET 35 14.322 -1.520 15.472 233 1HB MET 35 2HB MET 35 16.137 0.150 15.271 234 2HB MET 35 1HB MET 35 16.844 -0.815 13.986 235 1HG MET 35 2HG MET 35 14.034 -0.262 13.446 236 2HG MET 35 1HG MET 35 14.933 1.227 13.734 237 1HE MET 35 3HE MET 35 16.942 1.876 12.833 238 2HE MET 35 2HE MET 35 18.041 0.705 12.121 239 3HE MET 35 1HE MET 35 17.190 1.831 11.076 240 H LEU 36 H LEU 36 16.773 -3.749 14.234 241 HA LEU 36 HA LEU 36 15.158 -4.386 11.901 242 1HB LEU 36 2HB LEU 36 16.922 -5.773 11.162 243 2HB LEU 36 1HB LEU 36 17.665 -4.365 11.885 244 HG LEU 36 HG LEU 36 17.632 -6.029 14.041 245 1HD1 LEU 36 1HD1 LEU 36 16.614 -7.831 12.548 246 2HD1 LEU 36 3HD1 LEU 36 18.157 -7.869 11.696 247 3HD1 LEU 36 2HD1 LEU 36 18.081 -8.291 13.404 248 1HD2 LEU 36 1HD2 LEU 36 19.569 -4.808 12.786 249 2HD2 LEU 36 3HD2 LEU 36 19.960 -6.268 13.692 250 3HD2 LEU 36 2HD2 LEU 36 19.783 -6.340 11.942 251 H THR 37 H THR 37 15.602 -5.880 15.082 252 HA THR 37 HA THR 37 13.684 -8.005 14.337 253 HB THR 37 HB THR 37 14.826 -9.001 16.539 254 HG1 THR 37 HG1 THR 37 16.840 -8.444 16.868 255 1HG2 THR 37 2HG2 THR 37 15.567 -9.238 13.676 256 2HG2 THR 37 1HG2 THR 37 16.610 -10.015 14.864 257 3HG2 THR 37 3HG2 THR 37 14.902 -10.431 14.788 258 H ALA 38 H ALA 38 12.744 -5.481 14.968 259 HA ALA 38 HA ALA 38 11.229 -5.998 17.444 260 1HB ALA 38 3HB ALA 38 13.146 -4.639 18.100 261 2HB ALA 38 2HB ALA 38 12.718 -3.420 16.906 262 3HB ALA 38 1HB ALA 38 11.647 -3.730 18.282 263 H LYS 39 H LYS 39 9.224 -5.030 17.517 264 HA LYS 39 HA LYS 39 7.765 -4.766 15.185 265 1HB LYS 39 2HB LYS 39 6.154 -4.886 16.723 266 2HB LYS 39 1HB LYS 39 7.292 -4.540 17.990 267 1HG LYS 39 2HG LYS 39 6.243 -2.162 16.535 268 2HG LYS 39 1HG LYS 39 5.052 -3.106 17.414 269 1HD LYS 39 2HD LYS 39 6.452 -2.968 19.459 270 2HD LYS 39 1HD LYS 39 7.599 -1.957 18.603 271 1HE LYS 39 2HE LYS 39 6.364 -0.224 19.366 272 2HE LYS 39 1HE LYS 39 5.253 -0.642 18.070 273 1HZ LYS 39 1HZ LYS 39 4.063 -2.095 19.634 274 2HZ LYS 39 3HZ LYS 39 5.108 -1.621 20.878 275 3HZ LYS 39 2HZ LYS 39 4.080 -0.481 20.156 276 H ALA 40 H ALA 40 8.834 -1.982 17.132 277 HA ALA 40 HA ALA 40 9.950 -0.339 15.237 278 1HB ALA 40 3HB ALA 40 6.969 -0.152 15.329 279 2HB ALA 40 2HB ALA 40 7.936 1.278 14.933 280 3HB ALA 40 1HB ALA 40 8.037 -0.174 13.927 281 H LEU 41 H LEU 41 9.565 2.097 15.885 282 HA LEU 41 HA LEU 41 10.715 3.141 17.855 283 1HB LEU 41 2HB LEU 41 7.927 3.968 17.095 284 2HB LEU 41 1HB LEU 41 8.962 4.932 18.137 285 HG LEU 41 HG LEU 41 9.951 4.038 15.424 286 1HD1 LEU 41 3HD1 LEU 41 8.200 6.435 16.007 287 2HD1 LEU 41 2HD1 LEU 41 9.138 6.228 14.531 288 3HD1 LEU 41 1HD1 LEU 41 7.835 5.102 14.913 289 1HD2 LEU 41 3HD2 LEU 41 11.200 5.366 17.443 290 2HD2 LEU 41 2HD2 LEU 41 11.590 5.601 15.742 291 3HD2 LEU 41 1HD2 LEU 41 10.514 6.728 16.557 292 HA PRO 42 HA PRO 42 9.280 1.196 21.613 293 1HB PRO 42 2HB PRO 42 11.209 2.195 23.236 294 2HB PRO 42 1HB PRO 42 11.377 0.780 22.172 295 1HG PRO 42 2HG PRO 42 12.410 3.553 21.805 296 2HG PRO 42 1HG PRO 42 13.105 2.006 21.283 297 1HD PRO 42 2HD PRO 42 11.744 3.713 19.595 298 2HD PRO 42 1HD PRO 42 11.953 1.972 19.320 299 H THR 43 H THR 43 9.274 2.049 24.099 300 HA THR 43 HA THR 43 7.208 4.016 24.297 301 HB THR 43 HB THR 43 7.401 3.504 26.736 302 HG1 THR 43 HG1 THR 43 9.059 2.463 27.439 303 1HG2 THR 43 3HG2 THR 43 5.883 2.326 25.252 304 2HG2 THR 43 2HG2 THR 43 7.141 1.161 24.847 305 3HG2 THR 43 1HG2 THR 43 6.499 1.234 26.488 306 H THR 44 H THR 44 7.260 5.772 25.876 307 HA THR 44 HA THR 44 9.050 7.795 25.304 308 HB THR 44 HB THR 44 6.877 8.169 26.217 309 HG1 THR 44 HG1 THR 44 8.821 9.328 27.941 310 1HG2 THR 44 2HG2 THR 44 7.044 6.291 27.991 311 2HG2 THR 44 1HG2 THR 44 7.766 7.527 29.014 312 3HG2 THR 44 3HG2 THR 44 6.136 7.747 28.390 313 H ALA 45 H ALA 45 9.371 5.491 27.937 314 HA ALA 45 HA ALA 45 11.580 6.680 29.313 315 1HB ALA 45 2HB ALA 45 10.519 3.839 29.135 316 2HB ALA 45 1HB ALA 45 11.964 4.213 30.063 317 3HB ALA 45 3HB ALA 45 10.424 4.950 30.502 318 H GLN 46 H GLN 46 11.558 3.828 27.158 319 HA GLN 46 HA GLN 46 14.269 3.503 26.657 320 1HB GLN 46 2HB GLN 46 11.770 2.839 25.145 321 2HB GLN 46 1HB GLN 46 13.287 2.743 24.254 322 1HG GLN 46 2HG GLN 46 13.581 1.526 26.859 323 2HG GLN 46 1HG GLN 46 12.216 0.819 26.019 324 1HE2 GLN 46 2HE2 GLN 46 14.889 -1.336 24.898 325 2HE2 GLN 46 1HE2 GLN 46 13.770 -1.158 26.159 326 H TYR 47 H TYR 47 11.947 5.537 24.982 327 HA TYR 47 HA TYR 47 13.388 6.688 22.887 328 1HB TYR 47 2HB TYR 47 10.995 7.335 24.465 329 2HB TYR 47 1HB TYR 47 11.831 8.762 23.900 330 HD1 TYR 47 HD1 TYR 47 11.112 5.354 22.376 331 HD2 TYR 47 HD2 TYR 47 10.916 9.634 22.053 332 HE1 TYR 47 HE1 TYR 47 10.106 5.133 20.133 333 HE2 TYR 47 HE2 TYR 47 9.916 9.407 19.820 334 HH TYR 47 HH TYR 47 8.426 7.105 18.649 335 H LYS 48 H LYS 48 13.155 7.734 26.282 336 HA LYS 48 HA LYS 48 14.725 10.082 26.118 337 1HB LYS 48 2HB LYS 48 13.132 9.048 28.041 338 2HB LYS 48 1HB LYS 48 14.692 8.577 28.689 339 1HG LYS 48 2HG LYS 48 14.845 10.628 29.552 340 2HG LYS 48 1HG LYS 48 15.065 11.241 27.918 341 1HD LYS 48 2HD LYS 48 12.348 11.011 27.995 342 2HD LYS 48 1HD LYS 48 12.679 11.356 29.685 343 1HE LYS 48 2HE LYS 48 13.540 13.038 27.313 344 2HE LYS 48 1HE LYS 48 12.260 13.425 28.454 345 1HZ LYS 48 2HZ LYS 48 14.050 13.303 30.225 346 2HZ LYS 48 1HZ LYS 48 15.178 13.308 28.945 347 3HZ LYS 48 3HZ LYS 48 14.129 14.617 29.156 348 H LEU 49 H LEU 49 15.695 6.928 27.491 349 HA LEU 49 HA LEU 49 18.434 7.503 27.822 350 1HB LEU 49 2HB LEU 49 17.316 4.797 27.009 351 2HB LEU 49 1HB LEU 49 18.778 5.118 27.910 352 HG LEU 49 HG LEU 49 17.561 4.580 29.554 353 1HD1 LEU 49 3HD1 LEU 49 17.733 7.026 30.000 354 2HD1 LEU 49 2HD1 LEU 49 16.041 7.156 29.517 355 3HD1 LEU 49 1HD1 LEU 49 16.487 6.180 30.913 356 1HD2 LEU 49 1HD2 LEU 49 15.315 4.749 27.750 357 2HD2 LEU 49 3HD2 LEU 49 15.698 3.536 28.968 358 3HD2 LEU 49 2HD2 LEU 49 14.865 5.015 29.432 359 H MET 50 H MET 50 16.739 6.156 25.032 360 HA MET 50 HA MET 50 18.847 5.704 23.224 361 1HB MET 50 2HB MET 50 15.910 6.217 22.976 362 2HB MET 50 1HB MET 50 16.882 6.329 21.518 363 1HG MET 50 2HG MET 50 17.638 4.087 21.719 364 2HG MET 50 1HG MET 50 17.015 3.931 23.366 365 1HE MET 50 1HE MET 50 16.497 1.785 22.018 366 2HE MET 50 3HE MET 50 14.970 1.512 21.156 367 3HE MET 50 2HE MET 50 16.350 2.210 20.316 368 H CYS 51 H CYS 51 16.844 8.651 23.680 369 HA CYS 51 HA CYS 51 18.035 10.206 21.632 370 1HB CYS 51 2HB CYS 51 16.478 10.900 24.107 371 2HB CYS 51 1HB CYS 51 17.306 12.173 23.223 372 H ALA 52 H ALA 52 19.317 9.355 24.781 373 HA ALA 52 HA ALA 52 21.443 11.401 24.578 374 1HB ALA 52 3HB ALA 52 20.190 11.353 26.688 375 2HB ALA 52 2HB ALA 52 20.627 9.657 26.921 376 3HB ALA 52 1HB ALA 52 21.874 10.902 26.930 377 H SER 53 H SER 53 21.179 8.394 23.325 378 HA SER 53 HA SER 53 23.837 7.449 24.170 379 1HB SER 53 2HB SER 53 21.816 5.921 24.350 380 2HB SER 53 1HB SER 53 21.750 5.913 22.596 381 HG SER 53 HG SER 53 23.574 4.709 22.575 382 H THR 54 H THR 54 25.447 7.866 22.930 383 HA THR 54 HA THR 54 25.594 9.248 20.534 384 HB THR 54 HB THR 54 27.608 7.225 21.556 385 HG1 THR 54 HG1 THR 54 27.680 8.468 23.201 386 1HG2 THR 54 1HG2 THR 54 27.697 9.289 19.455 387 2HG2 THR 54 3HG2 THR 54 29.050 9.327 20.590 388 3HG2 THR 54 2HG2 THR 54 28.698 7.854 19.695 389 H ALA 55 H ALA 55 25.994 5.711 20.892 390 HA ALA 55 HA ALA 55 26.316 4.922 18.232 391 1HB ALA 55 1HB ALA 55 26.560 3.414 20.138 392 2HB ALA 55 3HB ALA 55 24.813 3.438 20.386 393 3HB ALA 55 2HB ALA 55 25.474 2.746 18.913 394 H CYS 56 H CYS 56 23.273 4.930 20.030 395 HA CYS 56 HA CYS 56 21.629 4.213 17.879 396 1HB CYS 56 2HB CYS 56 21.189 4.648 20.598 397 2HB CYS 56 1HB CYS 56 20.187 5.874 19.818 398 H ASN 57 H ASN 57 22.424 7.389 19.155 399 HA ASN 57 HA ASN 57 20.865 9.038 17.423 400 1HB ASN 57 2HB ASN 57 23.282 9.441 19.168 401 2HB ASN 57 1HB ASN 57 22.925 10.684 17.971 402 1HD2 ASN 57 2HD2 ASN 57 19.777 11.586 19.492 403 2HD2 ASN 57 1HD2 ASN 57 20.516 11.452 17.963 404 H THR 58 H THR 58 24.040 7.563 16.949 405 HA THR 58 HA THR 58 24.651 8.941 14.528 406 HB THR 58 HB THR 58 25.553 6.180 15.487 407 HG1 THR 58 HG1 THR 58 27.333 7.221 16.302 408 1HG2 THR 58 1HG2 THR 58 26.594 7.932 13.252 409 2HG2 THR 58 3HG2 THR 58 27.528 6.609 13.956 410 3HG2 THR 58 2HG2 THR 58 25.997 6.277 13.153 411 H MET 59 H MET 59 23.223 5.758 15.178 412 HA MET 59 HA MET 59 22.561 4.812 12.672 413 1HB MET 59 2HB MET 59 20.550 4.626 14.889 414 2HB MET 59 1HB MET 59 20.741 3.560 13.521 415 1HG MET 59 2HG MET 59 22.847 2.716 14.530 416 2HG MET 59 1HG MET 59 22.656 3.845 15.862 417 1HE MET 59 1HE MET 59 19.434 3.732 16.341 418 2HE MET 59 3HE MET 59 19.002 2.669 14.987 419 3HE MET 59 2HE MET 59 18.775 2.131 16.642 420 H ILE 60 H ILE 60 20.221 6.611 14.638 421 HA ILE 60 HA ILE 60 18.342 6.952 12.533 422 HB ILE 60 HB ILE 60 18.514 8.532 15.117 423 1HG1 ILE 60 2HG1 ILE 60 16.884 6.079 14.369 424 2HG1 ILE 60 1HG1 ILE 60 18.317 6.061 15.378 425 1HG2 ILE 60 3HG2 ILE 60 16.242 8.206 13.121 426 2HG2 ILE 60 2HG2 ILE 60 16.081 8.945 14.711 427 3HG2 ILE 60 1HG2 ILE 60 17.107 9.698 13.492 428 1HD1 ILE 60 1HD1 ILE 60 16.917 7.872 16.753 429 2HD1 ILE 60 3HD1 ILE 60 15.564 7.028 16.003 430 3HD1 ILE 60 2HD1 ILE 60 16.707 6.148 17.020 431 H LYS 61 H LYS 61 20.348 9.494 13.965 432 HA LYS 61 HA LYS 61 19.812 11.597 12.211 433 1HB LYS 61 2HB LYS 61 21.241 11.580 14.250 434 2HB LYS 61 1HB LYS 61 22.518 10.850 13.293 435 1HG LYS 61 2HG LYS 61 21.904 13.073 11.785 436 2HG LYS 61 1HG LYS 61 21.622 13.663 13.427 437 1HD LYS 61 2HD LYS 61 24.122 12.282 12.450 438 2HD LYS 61 1HD LYS 61 23.952 14.005 12.782 439 1HE LYS 61 2HE LYS 61 23.148 13.072 15.166 440 2HE LYS 61 1HE LYS 61 24.155 11.708 14.687 441 1HZ LYS 61 1HZ LYS 61 25.079 14.528 14.629 442 2HZ LYS 61 3HZ LYS 61 25.336 13.496 15.943 443 3HZ LYS 61 2HZ LYS 61 26.026 13.130 14.435 444 H LYS 62 H LYS 62 22.101 8.974 11.659 445 HA LYS 62 HA LYS 62 23.204 9.823 9.173 446 1HB LYS 62 2HB LYS 62 24.227 8.045 10.563 447 2HB LYS 62 1HB LYS 62 22.826 7.020 10.283 448 1HG LYS 62 2HG LYS 62 23.398 7.203 7.778 449 2HG LYS 62 1HG LYS 62 24.942 7.882 8.298 450 1HD LYS 62 2HD LYS 62 25.478 5.906 9.562 451 2HD LYS 62 1HD LYS 62 23.875 5.229 9.293 452 1HE LYS 62 2HE LYS 62 25.435 5.945 6.866 453 2HE LYS 62 1HE LYS 62 26.027 4.575 7.791 454 1HZ LYS 62 3HZ LYS 62 23.642 3.727 7.695 455 2HZ LYS 62 2HZ LYS 62 23.382 4.915 6.501 456 3HZ LYS 62 1HZ LYS 62 24.534 3.692 6.258 457 H ILE 63 H ILE 63 20.572 7.573 9.904 458 HA ILE 63 HA ILE 63 19.698 7.032 7.252 459 HB ILE 63 HB ILE 63 18.207 7.022 9.898 460 1HG1 ILE 63 2HG1 ILE 63 20.011 5.376 9.787 461 2HG1 ILE 63 1HG1 ILE 63 18.452 4.565 9.749 462 1HG2 ILE 63 3HG2 ILE 63 16.571 7.224 8.084 463 2HG2 ILE 63 2HG2 ILE 63 17.279 5.821 7.286 464 3HG2 ILE 63 1HG2 ILE 63 16.494 5.641 8.854 465 1HD1 ILE 63 1HD1 ILE 63 18.971 4.923 7.087 466 2HD1 ILE 63 3HD1 ILE 63 20.593 4.689 7.734 467 3HD1 ILE 63 2HD1 ILE 63 19.355 3.453 7.986 468 H VAL 64 H VAL 64 18.877 9.692 9.479 469 HA VAL 64 HA VAL 64 16.775 10.830 7.936 470 HB VAL 64 HB VAL 64 18.623 12.190 9.887 471 1HG1 VAL 64 3HG1 VAL 64 17.108 13.628 8.390 472 2HG1 VAL 64 2HG1 VAL 64 15.745 12.916 9.243 473 3HG1 VAL 64 1HG1 VAL 64 16.920 13.889 10.123 474 1HG2 VAL 64 3HG2 VAL 64 16.939 10.094 10.541 475 2HG2 VAL 64 2HG2 VAL 64 17.504 11.329 11.653 476 3HG2 VAL 64 1HG2 VAL 64 15.930 11.503 10.886 477 H THR 65 H THR 65 20.216 11.722 8.190 478 HA THR 65 HA THR 65 20.249 13.802 6.336 479 HB THR 65 HB THR 65 22.609 13.187 5.937 480 HG1 THR 65 HG1 THR 65 22.066 10.943 7.442 481 1HG2 THR 65 1HG2 THR 65 21.933 14.764 7.690 482 2HG2 THR 65 3HG2 THR 65 22.021 13.449 8.868 483 3HG2 THR 65 2HG2 THR 65 23.467 13.961 7.998 484 H LEU 66 H LEU 66 20.523 10.339 5.778 485 HA LEU 66 HA LEU 66 21.094 10.330 3.006 486 1HB LEU 66 2HB LEU 66 19.410 8.345 4.544 487 2HB LEU 66 1HB LEU 66 19.985 8.112 2.912 488 HG LEU 66 HG LEU 66 21.481 7.994 5.508 489 1HD1 LEU 66 2HD1 LEU 66 21.210 6.257 3.095 490 2HD1 LEU 66 1HD1 LEU 66 22.504 6.027 4.273 491 3HD1 LEU 66 3HD1 LEU 66 20.822 5.921 4.784 492 1HD2 LEU 66 1HD2 LEU 66 22.823 9.581 4.075 493 2HD2 LEU 66 3HD2 LEU 66 23.648 8.049 4.353 494 3HD2 LEU 66 2HD2 LEU 66 22.848 8.357 2.811 495 H ASN 67 H ASN 67 17.960 10.350 4.661 496 HA ASN 67 HA ASN 67 15.861 10.893 4.021 497 1HB ASN 67 2HB ASN 67 17.186 13.006 3.304 498 2HB ASN 67 1HB ASN 67 17.022 12.396 1.664 499 1HD2 ASN 67 2HD2 ASN 67 13.869 14.246 3.370 500 2HD2 ASN 67 1HD2 ASN 67 15.360 14.167 4.172 501 HA PRO 68 HA PRO 68 15.807 7.515 0.868 502 1HB PRO 68 2HB PRO 68 14.288 5.801 2.332 503 2HB PRO 68 1HB PRO 68 16.047 5.926 2.479 504 1HG PRO 68 2HG PRO 68 13.945 6.936 4.320 505 2HG PRO 68 1HG PRO 68 15.592 6.378 4.688 506 1HD PRO 68 2HD PRO 68 14.794 9.057 4.535 507 2HD PRO 68 1HD PRO 68 16.468 8.466 4.472 508 HA PRO 69 HA PRO 69 11.715 8.428 -0.740 509 1HB PRO 69 2HB PRO 69 11.026 6.126 -2.037 510 2HB PRO 69 1HB PRO 69 12.280 7.234 -2.611 511 1HG PRO 69 2HG PRO 69 12.600 4.590 -1.296 512 2HG PRO 69 1HG PRO 69 13.639 5.399 -2.487 513 1HD PRO 69 2HD PRO 69 14.145 5.278 0.256 514 2HD PRO 69 1HD PRO 69 14.899 6.408 -0.885 515 H ASN 70 H ASN 70 9.652 8.482 0.116 516 HA ASN 70 HA ASN 70 8.959 6.998 2.437 517 1HB ASN 70 2HB ASN 70 6.805 8.081 2.415 518 2HB ASN 70 1HB ASN 70 8.039 9.267 2.039 519 1HD2 ASN 70 2HD2 ASN 70 6.789 9.793 -1.310 520 2HD2 ASN 70 1HD2 ASN 70 8.174 9.952 -0.361 521 H CYS 71 H CYS 71 8.190 5.093 2.695 522 HA CYS 71 HA CYS 71 6.148 3.733 1.217 523 1HB CYS 71 2HB CYS 71 7.359 2.128 0.016 524 2HB CYS 71 1HB CYS 71 8.191 3.614 -0.330 525 H ASP 72 H ASP 72 6.493 1.229 1.846 526 HA ASP 72 HA ASP 72 6.898 1.088 4.805 527 1HB ASP 72 2HB ASP 72 4.421 0.542 3.215 528 2HB ASP 72 1HB ASP 72 4.731 -0.474 4.613 529 H LEU 73 H LEU 73 8.327 -0.588 5.293 530 HA LEU 73 HA LEU 73 8.368 -2.868 3.433 531 1HB LEU 73 2HB LEU 73 10.522 -2.418 3.129 532 2HB LEU 73 1HB LEU 73 10.350 -1.020 4.147 533 HG LEU 73 HG LEU 73 10.896 -2.693 6.096 534 1HD1 LEU 73 1HD1 LEU 73 10.626 -4.621 4.343 535 2HD1 LEU 73 3HD1 LEU 73 12.297 -4.226 3.934 536 3HD1 LEU 73 2HD1 LEU 73 11.879 -4.711 5.578 537 1HD2 LEU 73 1HD2 LEU 73 12.408 -0.895 5.190 538 2HD2 LEU 73 3HD2 LEU 73 13.274 -2.316 5.758 539 3HD2 LEU 73 2HD2 LEU 73 13.034 -2.062 4.033 540 H THR 74 H THR 74 7.512 -4.616 4.156 541 HA THR 74 HA THR 74 6.643 -5.158 6.775 542 HB THR 74 HB THR 74 6.087 -7.343 5.944 543 HG1 THR 74 HG1 THR 74 7.741 -6.726 3.748 544 1HG2 THR 74 2HG2 THR 74 5.359 -4.947 4.357 545 2HG2 THR 74 1HG2 THR 74 4.893 -6.521 3.722 546 3HG2 THR 74 3HG2 THR 74 4.353 -6.025 5.321 547 H VAL 75 H VAL 75 7.570 -5.986 8.499 548 HA VAL 75 HA VAL 75 10.181 -7.380 8.288 549 HB VAL 75 HB VAL 75 9.055 -5.682 10.556 550 1HG1 VAL 75 2HG1 VAL 75 10.777 -7.740 10.920 551 2HG1 VAL 75 1HG1 VAL 75 11.923 -6.460 10.540 552 3HG1 VAL 75 3HG1 VAL 75 10.803 -6.270 11.887 553 1HG2 VAL 75 2HG2 VAL 75 10.335 -4.881 8.185 554 2HG2 VAL 75 1HG2 VAL 75 10.114 -3.910 9.634 555 3HG2 VAL 75 3HG2 VAL 75 11.600 -4.828 9.405 556 HA PRO 76 HA PRO 76 7.308 -10.609 9.696 557 1HB PRO 76 2HB PRO 76 8.811 -12.716 8.822 558 2HB PRO 76 1HB PRO 76 7.709 -11.794 7.783 559 1HG PRO 76 2HG PRO 76 10.677 -11.714 7.886 560 2HG PRO 76 1HG PRO 76 9.575 -11.376 6.540 561 1HD PRO 76 2HD PRO 76 10.855 -9.425 8.076 562 2HD PRO 76 1HD PRO 76 9.466 -9.159 7.006 563 H THR 77 H THR 77 10.745 -10.329 10.451 564 HA THR 77 HA THR 77 10.890 -12.264 12.532 565 HB THR 77 HB THR 77 12.813 -11.278 11.290 566 HG1 THR 77 HG1 THR 77 12.906 -11.281 14.115 567 1HG2 THR 77 1HG2 THR 77 12.231 -8.866 13.000 568 2HG2 THR 77 3HG2 THR 77 13.790 -9.144 12.221 569 3HG2 THR 77 2HG2 THR 77 12.337 -8.962 11.245 570 H SER 78 H SER 78 9.452 -9.114 12.559 571 HA SER 78 HA SER 78 9.209 -9.210 15.505 572 1HB SER 78 2HB SER 78 9.109 -6.842 15.592 573 2HB SER 78 1HB SER 78 10.516 -7.263 14.662 574 HG SER 78 HG SER 78 8.872 -6.879 12.784 575 H GLY 79 H GLY 79 7.417 -8.726 12.505 576 1HA GLY 79 2HA GLY 79 5.150 -9.354 12.181 577 2HA GLY 79 1HA GLY 79 4.894 -9.297 13.925 578 H LEU 80 H LEU 80 6.207 -6.891 11.622 579 HA LEU 80 HA LEU 80 3.975 -5.088 11.949 580 1HB LEU 80 2HB LEU 80 5.805 -4.885 13.933 581 2HB LEU 80 1HB LEU 80 6.492 -3.760 12.764 582 HG LEU 80 HG LEU 80 3.746 -3.195 12.740 583 1HD1 LEU 80 2HD1 LEU 80 4.712 -3.834 15.515 584 2HD1 LEU 80 1HD1 LEU 80 3.411 -2.677 15.227 585 3HD1 LEU 80 3HD1 LEU 80 3.231 -4.359 14.723 586 1HD2 LEU 80 1HD2 LEU 80 5.861 -1.697 12.688 587 2HD2 LEU 80 3HD2 LEU 80 4.429 -1.062 13.500 588 3HD2 LEU 80 2HD2 LEU 80 5.759 -1.730 14.447 589 H VAL 81 H VAL 81 4.212 -3.098 10.697 590 HA VAL 81 HA VAL 81 5.897 -3.446 8.271 591 HB VAL 81 HB VAL 81 3.147 -2.278 8.740 592 1HG1 VAL 81 2HG1 VAL 81 4.914 -1.941 6.328 593 2HG1 VAL 81 1HG1 VAL 81 3.151 -1.889 6.206 594 3HG1 VAL 81 3HG1 VAL 81 4.001 -0.723 7.219 595 1HG2 VAL 81 3HG2 VAL 81 3.579 -4.804 8.317 596 2HG2 VAL 81 2HG2 VAL 81 2.351 -4.001 7.347 597 3HG2 VAL 81 1HG2 VAL 81 3.945 -4.311 6.663 598 H LEU 82 H LEU 82 7.620 -2.149 8.279 599 HA LEU 82 HA LEU 82 7.373 0.715 8.901 600 1HB LEU 82 2HB LEU 82 8.106 -0.342 11.038 601 2HB LEU 82 1HB LEU 82 9.467 -1.063 10.202 602 HG LEU 82 HG LEU 82 10.236 1.304 9.649 603 1HD1 LEU 82 2HD1 LEU 82 7.886 2.284 10.210 604 2HD1 LEU 82 1HD1 LEU 82 8.439 2.199 11.884 605 3HD1 LEU 82 3HD1 LEU 82 9.321 3.174 10.712 606 1HD2 LEU 82 1HD2 LEU 82 11.194 -0.062 11.481 607 2HD2 LEU 82 3HD2 LEU 82 11.194 1.659 11.867 608 3HD2 LEU 82 2HD2 LEU 82 9.983 0.590 12.579 609 H ASN 83 H ASN 83 8.688 1.955 7.528 610 HA ASN 83 HA ASN 83 10.255 0.366 5.574 611 1HB ASN 83 2HB ASN 83 8.771 1.736 4.428 612 2HB ASN 83 1HB ASN 83 9.036 3.121 5.477 613 1HD2 ASN 83 2HD2 ASN 83 11.234 4.429 3.047 614 2HD2 ASN 83 1HD2 ASN 83 9.961 4.717 4.132 615 H VAL 84 H VAL 84 10.715 3.551 6.945 616 HA VAL 84 HA VAL 84 12.714 3.512 8.616 617 HB VAL 84 HB VAL 84 13.827 2.691 6.016 618 1HG1 VAL 84 3HG1 VAL 84 15.045 5.085 7.265 619 2HG1 VAL 84 2HG1 VAL 84 16.125 3.773 6.790 620 3HG1 VAL 84 1HG1 VAL 84 15.074 4.517 5.593 621 1HG2 VAL 84 3HG2 VAL 84 13.847 1.590 8.372 622 2HG2 VAL 84 2HG2 VAL 84 15.222 1.404 7.297 623 3HG2 VAL 84 1HG2 VAL 84 15.290 2.576 8.615 624 H TYR 85 H TYR 85 11.657 5.088 5.657 625 HA TYR 85 HA TYR 85 12.625 7.708 5.995 626 1HB TYR 85 2HB TYR 85 11.284 6.935 3.987 627 2HB TYR 85 1HB TYR 85 9.856 6.949 4.984 628 HD1 TYR 85 HD2 TYR 85 12.685 9.281 4.078 629 HD2 TYR 85 HD1 TYR 85 8.511 8.850 4.995 630 HE1 TYR 85 HE2 TYR 85 12.343 11.697 3.661 631 HE2 TYR 85 HE1 TYR 85 8.171 11.263 4.580 632 HH TYR 85 HH TYR 85 9.970 13.431 4.710 633 H SER 86 H SER 86 9.420 6.453 6.972 634 HA SER 86 HA SER 86 8.764 8.690 8.615 635 1HB SER 86 2HB SER 86 7.056 6.990 7.745 636 2HB SER 86 1HB SER 86 7.589 5.926 9.037 637 HG SER 86 HG SER 86 6.564 7.176 10.429 638 H TYR 87 H TYR 87 10.714 5.929 9.370 639 HA TYR 87 HA TYR 87 10.629 5.973 12.213 640 1HB TYR 87 2HB TYR 87 11.696 4.211 10.794 641 2HB TYR 87 1HB TYR 87 12.916 5.343 10.326 642 HD1 TYR 87 HD2 TYR 87 11.387 4.279 13.600 643 HD2 TYR 87 HD1 TYR 87 14.905 5.067 11.275 644 HE1 TYR 87 HE2 TYR 87 12.821 3.685 15.563 645 HE2 TYR 87 HE1 TYR 87 16.343 4.476 13.228 646 HH TYR 87 HH TYR 87 15.395 4.410 16.254 647 H ALA 88 H ALA 88 12.977 7.375 9.998 648 HA ALA 88 HA ALA 88 14.623 8.885 11.652 649 1HB ALA 88 1HB ALA 88 13.872 8.893 8.775 650 2HB ALA 88 3HB ALA 88 14.843 10.239 9.385 651 3HB ALA 88 2HB ALA 88 15.426 8.575 9.537 652 H ASN 89 H ASN 89 11.788 10.027 9.884 653 HA ASN 89 HA ASN 89 11.866 12.731 10.894 654 1HB ASN 89 2HB ASN 89 9.810 11.155 9.339 655 2HB ASN 89 1HB ASN 89 9.493 12.797 9.886 656 1HD2 ASN 89 2HD2 ASN 89 11.995 12.248 6.738 657 2HD2 ASN 89 1HD2 ASN 89 11.317 10.898 7.516 658 H GLY 90 H GLY 90 10.011 9.827 11.807 659 1HA GLY 90 2HA GLY 90 8.274 11.078 13.691 660 2HA GLY 90 1HA GLY 90 8.581 9.360 13.528 661 H PHE 91 H PHE 91 11.411 9.417 14.114 662 HA PHE 91 HA PHE 91 11.409 9.345 16.968 663 1HB PHE 91 2HB PHE 91 12.915 7.981 15.451 664 2HB PHE 91 1HB PHE 91 13.872 9.419 15.204 665 HD1 PHE 91 HD2 PHE 91 15.222 10.396 17.040 666 HD2 PHE 91 HD1 PHE 91 12.880 6.845 17.642 667 HE1 PHE 91 HE2 PHE 91 16.433 9.956 19.154 668 HE2 PHE 91 HE1 PHE 91 14.091 6.406 19.751 669 HZ PHE 91 HZ PHE 91 15.873 7.965 20.513 670 H SER 92 H SER 92 13.500 11.418 14.921 671 HA SER 92 HA SER 92 14.460 13.167 16.833 672 1HB SER 92 2HB SER 92 15.130 13.100 14.394 673 2HB SER 92 1HB SER 92 13.708 14.063 14.034 674 HG SER 92 HG SER 92 14.721 15.760 14.859 675 H ASN 93 H ASN 93 11.482 13.699 14.933 676 HA ASN 93 HA ASN 93 10.676 16.155 16.080 677 1HB ASN 93 2HB ASN 93 9.673 14.798 14.067 678 2HB ASN 93 1HB ASN 93 8.658 14.049 15.284 679 1HD2 ASN 93 2HD2 ASN 93 7.496 17.540 13.860 680 2HD2 ASN 93 1HD2 ASN 93 8.527 16.455 13.062 681 H LYS 94 H LYS 94 9.880 12.815 17.047 682 HA LYS 94 HA LYS 94 8.274 13.513 19.311 683 1HB LYS 94 2HB LYS 94 8.414 11.279 18.011 684 2HB LYS 94 1HB LYS 94 9.818 10.948 19.012 685 1HG LYS 94 2HG LYS 94 7.974 9.930 20.114 686 2HG LYS 94 1HG LYS 94 8.330 11.382 21.039 687 1HD LYS 94 2HD LYS 94 6.478 12.550 20.095 688 2HD LYS 94 1HD LYS 94 6.237 11.330 18.848 689 1HE LYS 94 2HE LYS 94 5.887 10.854 21.823 690 2HE LYS 94 1HE LYS 94 4.577 11.187 20.702 691 1HZ LYS 94 2HZ LYS 94 5.567 9.129 19.439 692 2HZ LYS 94 1HZ LYS 94 6.243 8.769 20.959 693 3HZ LYS 94 3HZ LYS 94 4.571 8.909 20.793 694 H CYS 95 H CYS 95 11.750 13.041 18.934 695 HA CYS 95 HA CYS 95 12.423 12.925 21.713 696 1HB CYS 95 2HB CYS 95 13.988 12.273 19.743 697 2HB CYS 95 1HB CYS 95 14.261 14.001 19.538 698 H SER 96 H SER 96 12.286 15.640 19.335 699 HA SER 96 HA SER 96 13.047 17.621 21.228 700 1HB SER 96 2HB SER 96 11.889 19.277 19.650 701 2HB SER 96 1HB SER 96 13.180 18.330 18.953 702 HG SER 96 HG SER 96 10.513 18.448 18.349 703 H SER 97 H SER 97 9.899 16.317 20.356 704 HA SER 97 HA SER 97 8.262 18.027 22.003 705 1HB SER 97 2HB SER 97 7.578 16.561 19.991 706 2HB SER 97 1HB SER 97 7.592 15.222 21.117 707 HG SER 97 HG SER 97 5.635 16.892 20.665 708 H LEU 98 HN LEU 98 9.991 15.024 22.600 709 HA LEU 98 HA LEU 98 8.757 14.051 24.923 710 1HB LEU 98 2HB LEU 98 10.336 12.867 23.407 711 2HB LEU 98 1HB LEU 98 11.640 13.804 24.104 712 HG LEU 98 HG LEU 98 10.878 12.808 26.373 713 1HD1 LEU 98 1HD1 LEU 98 9.385 11.064 24.404 714 2HD1 LEU 98 3HD1 LEU 98 9.889 10.465 25.985 715 3HD1 LEU 98 2HD1 LEU 98 8.776 11.829 25.875 716 1HD2 LEU 98 2HD2 LEU 98 12.074 11.059 24.201 717 2HD2 LEU 98 1HD2 LEU 98 12.956 12.137 25.285 718 3HD2 LEU 98 3HD2 LEU 98 12.145 10.709 25.927 No H/Q in entry = 718 Start of MODEL 3 1 1H THR 1 2H THR 1 -0.315 1.928 1.542 2 2H THR 1 1H THR 1 0.125 3.448 2.166 3 3H THR 1 3H THR 1 -1.011 3.345 0.920 4 HA THR 1 HA THR 1 0.607 2.610 -0.623 5 HB THR 1 HB THR 1 2.280 4.538 -0.515 6 HG1 THR 1 HG1 THR 1 2.440 5.535 1.327 7 1HG2 THR 1 1HG2 THR 1 0.148 4.716 -1.730 8 2HG2 THR 1 3HG2 THR 1 -0.651 5.225 -0.243 9 3HG2 THR 1 2HG2 THR 1 0.587 6.243 -0.968 10 H ALA 2 H ALA 2 2.559 1.581 -1.092 11 HA ALA 2 HA ALA 2 4.485 1.025 1.120 12 1HB ALA 2 2HB ALA 2 2.830 -0.822 0.860 13 2HB ALA 2 1HB ALA 2 3.413 -1.036 -0.795 14 3HB ALA 2 3HB ALA 2 4.504 -1.302 0.566 15 H CYS 3 H CYS 3 6.616 0.341 0.383 16 HA CYS 3 HA CYS 3 7.466 1.684 -2.033 17 1HB CYS 3 2HB CYS 3 9.152 -0.331 -0.510 18 2HB CYS 3 1HB CYS 3 9.726 0.920 -1.555 19 H THR 4 H THR 4 8.807 0.471 -3.770 20 HA THR 4 HA THR 4 7.452 -2.067 -4.489 21 HB THR 4 HB THR 4 8.316 0.242 -6.253 22 HG1 THR 4 HG1 THR 4 6.284 0.542 -5.264 23 1HG2 THR 4 3HG2 THR 4 7.914 -2.553 -6.940 24 2HG2 THR 4 2HG2 THR 4 6.826 -1.489 -7.834 25 3HG2 THR 4 1HG2 THR 4 8.568 -1.234 -7.904 26 H ALA 5 H ALA 5 10.205 -0.879 -6.342 27 HA ALA 5 HA ALA 5 11.834 -3.090 -5.208 28 1HB ALA 5 2HB ALA 5 11.118 -3.619 -7.514 29 2HB ALA 5 1HB ALA 5 11.836 -2.118 -8.101 30 3HB ALA 5 3HB ALA 5 12.858 -3.392 -7.432 31 H THR 6 H THR 6 12.230 -0.078 -7.093 32 HA THR 6 HA THR 6 14.913 0.456 -6.375 33 HB THR 6 HB THR 6 12.872 2.619 -7.016 34 HG1 THR 6 HG1 THR 6 12.553 1.689 -8.861 35 1HG2 THR 6 2HG2 THR 6 15.822 2.381 -7.097 36 2HG2 THR 6 1HG2 THR 6 15.080 3.193 -8.471 37 3HG2 THR 6 3HG2 THR 6 14.793 3.789 -6.840 38 H GLN 7 H GLN 7 11.853 1.616 -4.977 39 HA GLN 7 HA GLN 7 12.881 3.268 -2.899 40 1HB GLN 7 2HB GLN 7 10.322 1.705 -3.221 41 2HB GLN 7 1HB GLN 7 10.614 2.642 -1.773 42 1HG GLN 7 2HG GLN 7 10.485 4.674 -2.912 43 2HG GLN 7 1HG GLN 7 10.918 3.960 -4.461 44 1HE2 GLN 7 2HE2 GLN 7 7.540 2.819 -5.095 45 2HE2 GLN 7 1HE2 GLN 7 9.149 2.381 -5.387 46 H GLN 8 H GLN 8 11.889 -0.115 -2.939 47 HA GLN 8 HA GLN 8 12.555 -0.726 -0.270 48 1HB GLN 8 2HB GLN 8 11.046 -2.089 -1.845 49 2HB GLN 8 1HB GLN 8 12.533 -2.788 -2.491 50 1HG GLN 8 2HG GLN 8 13.132 -3.727 -0.393 51 2HG GLN 8 1HG GLN 8 11.927 -2.768 0.470 52 1HE2 GLN 8 2HE2 GLN 8 10.763 -6.247 -1.279 53 2HE2 GLN 8 1HE2 GLN 8 12.362 -5.717 -1.484 54 H THR 9 H THR 9 14.597 -0.838 -3.165 55 HA THR 9 HA THR 9 16.798 -2.149 -1.859 56 HB THR 9 HB THR 9 18.075 -1.270 -3.850 57 HG1 THR 9 HG1 THR 9 17.162 0.094 -5.102 58 1HG2 THR 9 2HG2 THR 9 16.801 -3.533 -3.594 59 2HG2 THR 9 1HG2 THR 9 15.797 -2.874 -4.891 60 3HG2 THR 9 3HG2 THR 9 17.535 -3.063 -5.127 61 H ALA 10 H ALA 10 15.714 1.192 -2.169 62 HA ALA 10 HA ALA 10 18.186 2.442 -1.419 63 1HB ALA 10 2HB ALA 10 15.299 3.429 -1.229 64 2HB ALA 10 1HB ALA 10 16.714 4.438 -0.928 65 3HB ALA 10 3HB ALA 10 16.421 3.787 -2.542 66 H ALA 11 H ALA 11 15.199 1.559 0.281 67 HA ALA 11 HA ALA 11 16.028 2.231 2.939 68 1HB ALA 11 3HB ALA 11 13.988 0.218 1.948 69 2HB ALA 11 2HB ALA 11 14.214 0.611 3.656 70 3HB ALA 11 1HB ALA 11 13.656 1.851 2.531 71 H TYR 12 H TYR 12 16.130 -0.788 1.108 72 HA TYR 12 HA TYR 12 17.297 -2.427 3.129 73 1HB TYR 12 2HB TYR 12 16.980 -2.685 0.176 74 2HB TYR 12 1HB TYR 12 18.299 -3.588 0.874 75 HD1 TYR 12 HD2 TYR 12 17.085 -4.484 3.526 76 HD2 TYR 12 HD1 TYR 12 15.437 -4.188 -0.425 77 HE1 TYR 12 HE2 TYR 12 15.439 -6.246 4.079 78 HE2 TYR 12 HE1 TYR 12 13.781 -5.961 0.129 79 HH TYR 12 HH TYR 12 12.842 -6.783 2.879 80 H LYS 13 H LYS 13 18.758 -0.296 0.669 81 HA LYS 13 HA LYS 13 21.448 -1.103 0.950 82 1HB LYS 13 2HB LYS 13 20.943 0.337 -0.861 83 2HB LYS 13 1HB LYS 13 20.093 1.480 0.149 84 1HG LYS 13 2HG LYS 13 22.245 2.206 1.124 85 2HG LYS 13 1HG LYS 13 23.101 1.036 0.121 86 1HD LYS 13 2HD LYS 13 22.831 2.269 -1.795 87 2HD LYS 13 1HD LYS 13 21.274 2.913 -1.299 88 1HE LYS 13 2HE LYS 13 22.861 4.728 -1.342 89 2HE LYS 13 1HE LYS 13 22.474 4.395 0.338 90 1HZ LYS 13 3HZ LYS 13 24.542 3.103 0.503 91 2HZ LYS 13 2HZ LYS 13 24.876 3.441 -1.122 92 3HZ LYS 13 1HZ LYS 13 24.859 4.695 0.018 93 H THR 14 H THR 14 19.679 1.515 2.592 94 HA THR 14 HA THR 14 21.660 2.251 4.470 95 HB THR 14 HB THR 14 18.690 2.589 4.959 96 HG1 THR 14 HG1 THR 14 18.550 3.878 3.325 97 1HG2 THR 14 2HG2 THR 14 21.138 4.208 5.680 98 2HG2 THR 14 1HG2 THR 14 19.483 4.795 5.844 99 3HG2 THR 14 3HG2 THR 14 20.010 3.391 6.765 100 H LEU 15 H LEU 15 18.642 0.496 5.238 101 HA LEU 15 HA LEU 15 19.386 -0.281 7.828 102 1HB LEU 15 2HB LEU 15 17.131 -0.199 7.415 103 2HB LEU 15 1HB LEU 15 17.225 -1.101 5.920 104 HG LEU 15 HG LEU 15 18.051 -2.663 8.289 105 1HD1 LEU 15 2HD1 LEU 15 16.302 -1.108 9.230 106 2HD1 LEU 15 1HD1 LEU 15 15.158 -1.814 8.087 107 3HD1 LEU 15 3HD1 LEU 15 15.903 -2.823 9.327 108 1HD2 LEU 15 3HD2 LEU 15 17.177 -3.242 5.752 109 2HD2 LEU 15 2HD2 LEU 15 17.088 -4.369 7.102 110 3HD2 LEU 15 1HD2 LEU 15 15.678 -3.412 6.668 111 H VAL 16 H VAL 16 19.800 -2.254 4.848 112 HA VAL 16 HA VAL 16 20.732 -4.540 6.305 113 HB VAL 16 HB VAL 16 21.306 -3.799 3.379 114 1HG1 VAL 16 3HG1 VAL 16 22.894 -5.499 4.348 115 2HG1 VAL 16 2HG1 VAL 16 21.480 -6.472 4.790 116 3HG1 VAL 16 1HG1 VAL 16 21.839 -6.156 3.089 117 1HG2 VAL 16 2HG2 VAL 16 18.893 -4.181 4.098 118 2HG2 VAL 16 1HG2 VAL 16 19.486 -5.257 2.829 119 3HG2 VAL 16 3HG2 VAL 16 19.366 -5.831 4.494 120 H SER 17 H SER 17 22.375 -1.651 4.989 121 HA SER 17 HA SER 17 25.050 -2.445 5.586 122 1HB SER 17 2HB SER 17 24.316 -0.397 4.240 123 2HB SER 17 1HB SER 17 23.888 0.365 5.745 124 HG SER 17 HG SER 17 26.474 -0.590 4.962 125 H ILE 18 H ILE 18 22.428 -1.159 7.603 126 HA ILE 18 HA ILE 18 24.197 -1.027 9.920 127 HB ILE 18 HB ILE 18 22.495 0.789 9.154 128 1HG1 ILE 18 2HG1 ILE 18 22.297 1.706 11.312 129 2HG1 ILE 18 1HG1 ILE 18 22.359 0.130 12.077 130 1HG2 ILE 18 1HG2 ILE 18 20.501 -0.790 9.213 131 2HG2 ILE 18 3HG2 ILE 18 20.537 -0.550 10.958 132 3HG2 ILE 18 2HG2 ILE 18 20.332 0.826 9.878 133 1HD1 ILE 18 2HD1 ILE 18 24.718 0.948 10.435 134 2HD1 ILE 18 1HD1 ILE 18 24.486 1.744 11.995 135 3HD1 ILE 18 3HD1 ILE 18 24.648 -0.010 11.914 136 H LEU 19 H LEU 19 24.599 -3.280 9.909 137 HA LEU 19 HA LEU 19 22.629 -4.789 11.534 138 1HB LEU 19 2HB LEU 19 24.022 -5.795 9.055 139 2HB LEU 19 1HB LEU 19 23.256 -6.855 10.229 140 HG LEU 19 HG LEU 19 21.873 -4.638 8.693 141 1HD1 LEU 19 1HD1 LEU 19 22.634 -6.623 7.364 142 2HD1 LEU 19 3HD1 LEU 19 21.648 -7.645 8.410 143 3HD1 LEU 19 2HD1 LEU 19 20.884 -6.421 7.390 144 1HD2 LEU 19 3HD2 LEU 19 20.982 -6.606 10.803 145 2HD2 LEU 19 2HD2 LEU 19 20.579 -4.897 10.647 146 3HD2 LEU 19 1HD2 LEU 19 19.834 -6.078 9.572 147 H SER 20 H SER 20 25.934 -5.395 10.215 148 HA SER 20 HA SER 20 26.742 -6.376 12.892 149 1HB SER 20 2HB SER 20 26.977 -7.736 10.666 150 2HB SER 20 1HB SER 20 28.323 -6.675 10.324 151 HG SER 20 HG SER 20 27.974 -8.581 12.389 152 H ASP 21 H ASP 21 26.446 -3.783 12.994 153 HA ASP 21 HA ASP 21 29.139 -2.504 12.853 154 1HB ASP 21 2HB ASP 21 27.307 -1.774 11.269 155 2HB ASP 21 1HB ASP 21 26.442 -1.181 12.675 156 H ALA 22 H ALA 22 29.693 -1.093 14.600 157 HA ALA 22 HA ALA 22 28.854 -1.852 17.197 158 1HB ALA 22 2HB ALA 22 30.395 0.629 16.354 159 2HB ALA 22 1HB ALA 22 30.181 0.089 18.020 160 3HB ALA 22 3HB ALA 22 31.082 -0.908 16.881 161 H SER 23 H SER 23 27.670 0.724 15.105 162 HA SER 23 HA SER 23 26.316 2.361 16.935 163 1HB SER 23 2HB SER 23 26.671 2.953 14.569 164 2HB SER 23 1HB SER 23 25.597 1.670 14.063 165 HG SER 23 HG SER 23 25.051 4.123 15.394 166 H PHE 24 H PHE 24 24.793 -0.229 14.975 167 HA PHE 24 HA PHE 24 22.320 -0.287 16.363 168 1HB PHE 24 2HB PHE 24 22.501 -1.059 14.095 169 2HB PHE 24 1HB PHE 24 23.737 -2.222 14.500 170 HD1 PHE 24 HD2 PHE 24 20.116 -1.386 15.095 171 HD2 PHE 24 HD1 PHE 24 23.131 -4.447 14.942 172 HE1 PHE 24 HE2 PHE 24 18.369 -3.122 15.335 173 HE2 PHE 24 HE1 PHE 24 21.380 -6.179 15.180 174 HZ PHE 24 HZ PHE 24 19.001 -5.520 15.379 175 H ASN 25 H ASN 25 25.164 -2.476 16.678 176 HA ASN 25 HA ASN 25 24.261 -4.183 18.699 177 1HB ASN 25 2HB ASN 25 26.656 -3.958 17.438 178 2HB ASN 25 1HB ASN 25 27.079 -3.260 18.984 179 1HD2 ASN 25 2HD2 ASN 25 27.217 -7.167 18.733 180 2HD2 ASN 25 1HD2 ASN 25 27.468 -6.078 17.465 181 H GLN 26 H GLN 26 25.899 -1.059 19.019 182 HA GLN 26 HA GLN 26 25.968 -1.023 21.832 183 1HB GLN 26 2HB GLN 26 27.380 0.473 20.389 184 2HB GLN 26 1HB GLN 26 25.937 1.409 20.024 185 1HG GLN 26 2HG GLN 26 26.931 2.611 21.744 186 2HG GLN 26 1HG GLN 26 25.714 1.686 22.591 187 1HE2 GLN 26 2HE2 GLN 26 28.855 -0.484 23.519 188 2HE2 GLN 26 1HE2 GLN 26 27.791 -0.825 22.258 189 H CYS 27 H CYS 27 23.544 0.232 19.582 190 HA CYS 27 HA CYS 27 21.844 1.522 21.443 191 1HB CYS 27 2HB CYS 27 21.295 0.201 18.742 192 2HB CYS 27 1HB CYS 27 20.070 0.982 19.715 193 H SER 28 H SER 28 21.694 -1.859 20.142 194 HA SER 28 HA SER 28 19.543 -2.684 21.802 195 1HB SER 28 2HB SER 28 20.476 -5.072 21.385 196 2HB SER 28 1HB SER 28 19.891 -4.149 20.027 197 HG SER 28 HG SER 28 22.563 -4.703 20.840 198 H THR 29 H THR 29 23.037 -2.772 22.370 199 HA THR 29 HA THR 29 22.916 -4.214 24.861 200 HB THR 29 HB THR 29 25.062 -2.476 23.574 201 HG1 THR 29 HG1 THR 29 25.411 -4.279 22.562 202 1HG2 THR 29 3HG2 THR 29 25.102 -3.942 26.200 203 2HG2 THR 29 2HG2 THR 29 26.585 -3.765 25.262 204 3HG2 THR 29 1HG2 THR 29 25.715 -2.337 25.814 205 H ASP 30 H ASP 30 22.842 -0.810 23.970 206 HA ASP 30 HA ASP 30 23.133 0.443 26.446 207 1HB ASP 30 2HB ASP 30 23.011 1.543 24.076 208 2HB ASP 30 1HB ASP 30 21.281 1.542 24.351 209 H SER 31 H SER 31 20.044 -0.165 24.830 210 HA SER 31 HA SER 31 18.737 -0.235 27.523 211 1HB SER 31 2HB SER 31 18.012 1.726 26.070 212 2HB SER 31 1HB SER 31 17.349 0.553 24.945 213 HG SER 31 HG SER 31 15.860 -0.041 26.493 214 H GLY 32 H GLY 32 18.005 -1.333 24.177 215 1HA GLY 32 2HA GLY 32 18.125 -4.034 24.444 216 2HA GLY 32 1HA GLY 32 16.616 -3.661 25.248 217 H TYR 33 H TYR 33 15.838 -1.505 23.292 218 HA TYR 33 HA TYR 33 14.361 -2.969 21.441 219 1HB TYR 33 2HB TYR 33 13.855 -0.601 21.970 220 2HB TYR 33 1HB TYR 33 15.286 -0.096 21.079 221 HD1 TYR 33 HD2 TYR 33 12.002 -1.916 20.682 222 HD2 TYR 33 HD1 TYR 33 15.202 0.208 18.748 223 HE1 TYR 33 HE2 TYR 33 10.733 -1.897 18.558 224 HE2 TYR 33 HE1 TYR 33 13.925 0.221 16.635 225 HH TYR 33 HH TYR 33 11.277 -1.739 16.061 226 H SER 34 H SER 34 15.219 -4.395 20.171 227 HA SER 34 HA SER 34 17.400 -3.707 18.279 228 1HB SER 34 2HB SER 34 17.784 -6.274 18.344 229 2HB SER 34 1HB SER 34 18.284 -5.364 19.751 230 HG SER 34 HG SER 34 16.940 -7.384 20.024 231 H MET 35 H MET 35 15.743 -2.873 16.927 232 HA MET 35 HA MET 35 13.402 -3.675 16.013 233 1HB MET 35 2HB MET 35 13.920 -2.755 13.767 234 2HB MET 35 1HB MET 35 14.394 -1.741 15.114 235 1HG MET 35 2HG MET 35 16.549 -1.743 14.437 236 2HG MET 35 1HG MET 35 16.590 -3.489 14.324 237 1HE MET 35 2HE MET 35 14.893 -0.448 12.857 238 2HE MET 35 1HE MET 35 16.454 -0.131 12.110 239 3HE MET 35 3HE MET 35 15.059 -0.590 11.115 240 H LEU 36 H LEU 36 16.257 -5.405 14.915 241 HA LEU 36 HA LEU 36 15.093 -7.041 12.922 242 1HB LEU 36 2HB LEU 36 17.614 -6.956 14.421 243 2HB LEU 36 1HB LEU 36 17.110 -8.594 14.041 244 HG LEU 36 HG LEU 36 16.711 -7.747 11.644 245 1HD1 LEU 36 3HD1 LEU 36 16.894 -5.294 12.294 246 2HD1 LEU 36 2HD1 LEU 36 18.618 -5.569 12.542 247 3HD1 LEU 36 1HD1 LEU 36 17.912 -5.790 10.945 248 1HD2 LEU 36 3HD2 LEU 36 19.440 -7.986 12.925 249 2HD2 LEU 36 2HD2 LEU 36 18.520 -9.227 12.068 250 3HD2 LEU 36 1HD2 LEU 36 19.216 -7.875 11.179 251 H THR 37 H THR 37 15.639 -7.805 16.403 252 HA THR 37 HA THR 37 13.624 -9.970 16.182 253 HB THR 37 HB THR 37 15.994 -9.720 18.082 254 HG1 THR 37 HG1 THR 37 15.663 -11.416 15.822 255 1HG2 THR 37 2HG2 THR 37 13.781 -11.684 17.882 256 2HG2 THR 37 1HG2 THR 37 15.395 -12.324 18.190 257 3HG2 THR 37 3HG2 THR 37 14.699 -11.134 19.289 258 H ALA 38 H ALA 38 12.814 -7.380 16.431 259 HA ALA 38 HA ALA 38 11.378 -7.358 18.968 260 1HB ALA 38 1HB ALA 38 13.565 -6.085 19.314 261 2HB ALA 38 3HB ALA 38 12.963 -4.904 18.150 262 3HB ALA 38 2HB ALA 38 12.093 -5.173 19.666 263 H LYS 39 H LYS 39 9.525 -7.531 17.994 264 HA LYS 39 HA LYS 39 8.753 -6.119 15.602 265 1HB LYS 39 2HB LYS 39 6.785 -7.413 15.621 266 2HB LYS 39 1HB LYS 39 8.037 -8.466 16.220 267 1HG LYS 39 2HG LYS 39 6.115 -6.980 18.049 268 2HG LYS 39 1HG LYS 39 5.751 -8.539 17.345 269 1HD LYS 39 2HD LYS 39 7.799 -9.473 18.437 270 2HD LYS 39 1HD LYS 39 8.053 -7.919 19.222 271 1HE LYS 39 2HE LYS 39 5.355 -8.633 19.734 272 2HE LYS 39 1HE LYS 39 6.309 -10.086 19.982 273 1HZ LYS 39 1HZ LYS 39 6.849 -7.442 21.248 274 2HZ LYS 39 3HZ LYS 39 6.075 -8.746 22.004 275 3HZ LYS 39 2HZ LYS 39 7.699 -8.888 21.533 276 H ALA 40 H ALA 40 7.913 -5.794 19.027 277 HA ALA 40 HA ALA 40 6.035 -3.622 18.705 278 1HB ALA 40 2HB ALA 40 5.993 -5.222 20.603 279 2HB ALA 40 1HB ALA 40 7.532 -4.548 21.157 280 3HB ALA 40 3HB ALA 40 6.084 -3.539 21.138 281 H LEU 41 H LEU 41 6.488 -1.511 18.534 282 HA LEU 41 HA LEU 41 9.105 -0.431 18.303 283 1HB LEU 41 2HB LEU 41 6.395 0.866 18.609 284 2HB LEU 41 1HB LEU 41 7.856 1.813 18.408 285 HG LEU 41 HG LEU 41 6.782 -0.251 16.457 286 1HD1 LEU 41 2HD1 LEU 41 6.842 2.770 16.390 287 2HD1 LEU 41 1HD1 LEU 41 6.418 1.754 15.015 288 3HD1 LEU 41 3HD1 LEU 41 5.418 1.736 16.467 289 1HD2 LEU 41 1HD2 LEU 41 9.321 1.378 16.536 290 2HD2 LEU 41 3HD2 LEU 41 9.076 -0.286 16.010 291 3HD2 LEU 41 2HD2 LEU 41 8.567 1.045 14.978 292 HA PRO 42 HA PRO 42 10.107 0.597 22.432 293 1HB PRO 42 2HB PRO 42 11.849 2.689 22.098 294 2HB PRO 42 1HB PRO 42 12.211 0.992 21.750 295 1HG PRO 42 2HG PRO 42 11.801 3.197 19.858 296 2HG PRO 42 1HG PRO 42 12.546 1.611 19.617 297 1HD PRO 42 2HD PRO 42 9.886 2.408 18.886 298 2HD PRO 42 1HD PRO 42 10.670 0.839 18.621 299 H THR 43 H THR 43 9.792 1.880 24.245 300 HA THR 43 HA THR 43 7.485 3.622 24.164 301 HB THR 43 HB THR 43 7.530 3.411 26.539 302 HG1 THR 43 HG1 THR 43 9.839 1.801 26.517 303 1HG2 THR 43 1HG2 THR 43 7.797 0.909 24.916 304 2HG2 THR 43 3HG2 THR 43 7.524 0.802 26.656 305 3HG2 THR 43 2HG2 THR 43 6.369 1.640 25.632 306 H THR 44 H THR 44 7.452 5.551 25.668 307 HA THR 44 HA THR 44 9.109 7.598 24.755 308 HB THR 44 HB THR 44 6.898 7.996 25.703 309 HG1 THR 44 HG1 THR 44 7.876 9.866 25.792 310 1HG2 THR 44 2HG2 THR 44 7.139 6.401 27.686 311 2HG2 THR 44 1HG2 THR 44 8.030 7.700 28.485 312 3HG2 THR 44 3HG2 THR 44 6.355 7.942 28.001 313 H ALA 45 H ALA 45 9.491 5.725 27.716 314 HA ALA 45 HA ALA 45 11.712 7.080 28.852 315 1HB ALA 45 1HB ALA 45 10.376 5.232 30.013 316 2HB ALA 45 3HB ALA 45 11.214 4.070 28.986 317 3HB ALA 45 2HB ALA 45 12.118 5.037 30.140 318 H GLN 46 H GLN 46 11.563 4.326 26.579 319 HA GLN 46 HA GLN 46 14.389 4.134 26.195 320 1HB GLN 46 2HB GLN 46 11.972 2.944 24.885 321 2HB GLN 46 1HB GLN 46 13.453 2.994 23.915 322 1HG GLN 46 2HG GLN 46 14.712 1.951 25.730 323 2HG GLN 46 1HG GLN 46 13.267 1.888 26.722 324 1HE2 GLN 46 2HE2 GLN 46 13.069 -1.451 25.515 325 2HE2 GLN 46 1HE2 GLN 46 13.471 -0.482 26.853 326 H TYR 47 H TYR 47 11.872 5.950 24.528 327 HA TYR 47 HA TYR 47 13.238 6.901 22.280 328 1HB TYR 47 2HB TYR 47 10.896 7.801 23.847 329 2HB TYR 47 1HB TYR 47 11.701 9.083 22.964 330 HD1 TYR 47 HD1 TYR 47 12.387 8.412 20.464 331 HD2 TYR 47 HD2 TYR 47 9.235 6.586 22.743 332 HE1 TYR 47 HE1 TYR 47 11.301 7.655 18.365 333 HE2 TYR 47 HE2 TYR 47 8.155 5.833 20.653 334 HH TYR 47 HH TYR 47 9.121 5.322 18.173 335 H LYS 48 H LYS 48 12.953 8.718 25.404 336 HA LYS 48 HA LYS 48 14.870 10.679 24.669 337 1HB LYS 48 2HB LYS 48 15.188 11.090 27.178 338 2HB LYS 48 1HB LYS 48 13.573 11.327 26.565 339 1HG LYS 48 2HG LYS 48 13.766 8.607 27.396 340 2HG LYS 48 1HG LYS 48 14.492 9.602 28.653 341 1HD LYS 48 2HD LYS 48 12.303 11.075 28.238 342 2HD LYS 48 1HD LYS 48 11.667 9.527 27.684 343 1HE LYS 48 2HE LYS 48 12.686 8.572 29.875 344 2HE LYS 48 1HE LYS 48 12.729 10.245 30.405 345 1HZ LYS 48 3HZ LYS 48 10.286 10.332 29.819 346 2HZ LYS 48 2HZ LYS 48 10.346 8.646 29.638 347 3HZ LYS 48 1HZ LYS 48 10.696 9.356 31.133 348 H LEU 49 H LEU 49 15.250 7.642 26.410 349 HA LEU 49 HA LEU 49 17.989 7.721 27.095 350 1HB LEU 49 2HB LEU 49 15.983 5.579 26.556 351 2HB LEU 49 1HB LEU 49 17.661 5.099 26.729 352 HG LEU 49 HG LEU 49 16.070 6.701 28.761 353 1HD1 LEU 49 3HD1 LEU 49 15.338 4.332 28.474 354 2HD1 LEU 49 2HD1 LEU 49 16.985 3.810 28.823 355 3HD1 LEU 49 1HD1 LEU 49 16.042 4.640 30.059 356 1HD2 LEU 49 1HD2 LEU 49 18.914 5.697 28.633 357 2HD2 LEU 49 3HD2 LEU 49 18.316 7.250 29.208 358 3HD2 LEU 49 2HD2 LEU 49 18.108 5.808 30.195 359 H MET 50 H MET 50 16.460 6.795 24.033 360 HA MET 50 HA MET 50 18.862 5.853 22.735 361 1HB MET 50 2HB MET 50 16.121 6.594 21.695 362 2HB MET 50 1HB MET 50 17.420 6.102 20.624 363 1HG MET 50 2HG MET 50 16.163 4.465 22.838 364 2HG MET 50 1HG MET 50 16.000 4.203 21.115 365 1HE MET 50 1HE MET 50 17.375 3.623 24.209 366 2HE MET 50 3HE MET 50 18.302 2.140 23.917 367 3HE MET 50 2HE MET 50 19.127 3.677 24.120 368 H CYS 51 H CYS 51 17.004 8.912 22.654 369 HA CYS 51 HA CYS 51 18.449 10.236 20.634 370 1HB CYS 51 2HB CYS 51 16.407 10.951 22.451 371 2HB CYS 51 1HB CYS 51 17.678 12.155 22.631 372 H ALA 52 H ALA 52 19.443 9.734 23.960 373 HA ALA 52 HA ALA 52 21.574 11.723 23.868 374 1HB ALA 52 1HB ALA 52 20.743 9.707 25.957 375 2HB ALA 52 3HB ALA 52 22.133 10.770 26.142 376 3HB ALA 52 2HB ALA 52 20.515 11.454 26.002 377 H SER 53 H SER 53 21.347 8.258 23.248 378 HA SER 53 HA SER 53 24.162 7.759 23.581 379 1HB SER 53 2HB SER 53 22.408 5.929 23.857 380 2HB SER 53 1HB SER 53 22.272 5.906 22.111 381 HG SER 53 HG SER 53 24.208 4.896 23.744 382 H THR 54 H THR 54 25.741 8.035 22.334 383 HA THR 54 HA THR 54 25.749 9.386 19.896 384 HB THR 54 HB THR 54 27.669 9.325 21.404 385 HG1 THR 54 HG1 THR 54 28.929 9.644 19.789 386 1HG2 THR 54 1HG2 THR 54 27.640 6.937 22.111 387 2HG2 THR 54 3HG2 THR 54 28.158 6.478 20.486 388 3HG2 THR 54 2HG2 THR 54 29.214 7.443 21.506 389 H ALA 55 H ALA 55 25.758 5.905 20.470 390 HA ALA 55 HA ALA 55 26.265 4.943 17.844 391 1HB ALA 55 2HB ALA 55 25.133 3.790 20.323 392 2HB ALA 55 1HB ALA 55 24.531 3.083 18.834 393 3HB ALA 55 3HB ALA 55 26.261 3.075 19.155 394 H CYS 56 H CYS 56 23.115 5.048 19.492 395 HA CYS 56 HA CYS 56 21.526 4.606 17.281 396 1HB CYS 56 2HB CYS 56 21.037 5.711 20.007 397 2HB CYS 56 1HB CYS 56 19.797 6.074 18.806 398 H ASN 57 H ASN 57 22.714 7.656 18.573 399 HA ASN 57 HA ASN 57 21.421 9.601 16.996 400 1HB ASN 57 2HB ASN 57 24.085 9.396 18.368 401 2HB ASN 57 1HB ASN 57 23.933 10.639 17.133 402 1HD2 ASN 57 2HD2 ASN 57 21.671 11.015 20.528 403 2HD2 ASN 57 1HD2 ASN 57 22.290 9.481 20.153 404 H THR 58 H THR 58 24.467 7.925 16.340 405 HA THR 58 HA THR 58 24.894 8.893 13.723 406 HB THR 58 HB THR 58 25.715 6.235 14.975 407 HG1 THR 58 HG1 THR 58 27.613 7.252 15.455 408 1HG2 THR 58 3HG2 THR 58 26.415 7.432 12.311 409 2HG2 THR 58 2HG2 THR 58 27.585 6.433 13.167 410 3HG2 THR 58 1HG2 THR 58 26.017 5.763 12.723 411 H MET 59 H MET 59 23.471 5.820 14.665 412 HA MET 59 HA MET 59 22.547 4.640 12.395 413 1HB MET 59 2HB MET 59 21.858 4.659 15.182 414 2HB MET 59 1HB MET 59 20.412 4.505 14.221 415 1HG MET 59 2HG MET 59 22.350 2.748 13.126 416 2HG MET 59 1HG MET 59 22.386 2.541 14.874 417 1HE MET 59 1HE MET 59 19.890 3.274 15.922 418 2HE MET 59 3HE MET 59 18.447 3.182 14.898 419 3HE MET 59 2HE MET 59 18.881 1.839 15.938 420 H ILE 60 H ILE 60 20.364 6.707 14.234 421 HA ILE 60 HA ILE 60 18.495 6.979 12.075 422 HB ILE 60 HB ILE 60 18.529 8.342 14.761 423 1HG1 ILE 60 2HG1 ILE 60 17.061 5.939 13.629 424 2HG1 ILE 60 1HG1 ILE 60 18.339 5.901 14.836 425 1HG2 ILE 60 3HG2 ILE 60 17.118 9.354 12.683 426 2HG2 ILE 60 2HG2 ILE 60 16.030 8.045 13.117 427 3HG2 ILE 60 1HG2 ILE 60 16.443 9.276 14.308 428 1HD1 ILE 60 1HD1 ILE 60 16.518 7.545 16.037 429 2HD1 ILE 60 3HD1 ILE 60 15.466 6.496 15.095 430 3HD1 ILE 60 2HD1 ILE 60 16.569 5.798 16.276 431 H LYS 61 H LYS 61 20.546 9.454 13.569 432 HA LYS 61 HA LYS 61 19.817 11.578 11.872 433 1HB LYS 61 2HB LYS 61 22.609 11.055 12.938 434 2HB LYS 61 1HB LYS 61 22.046 12.596 12.321 435 1HG LYS 61 2HG LYS 61 20.444 11.387 14.527 436 2HG LYS 61 1HG LYS 61 22.065 11.894 14.936 437 1HD LYS 61 2HD LYS 61 21.037 13.867 15.370 438 2HD LYS 61 1HD LYS 61 21.180 14.130 13.634 439 1HE LYS 61 2HE LYS 61 18.937 13.501 13.245 440 2HE LYS 61 1HE LYS 61 18.800 12.687 14.793 441 1HZ LYS 61 2HZ LYS 61 19.099 15.638 14.453 442 2HZ LYS 61 1HZ LYS 61 17.638 14.796 14.674 443 3HZ LYS 61 3HZ LYS 61 18.785 14.813 15.913 444 H LYS 62 H LYS 62 22.061 8.944 11.232 445 HA LYS 62 HA LYS 62 23.096 9.878 8.740 446 1HB LYS 62 2HB LYS 62 24.224 8.080 9.992 447 2HB LYS 62 1HB LYS 62 22.817 7.040 9.780 448 1HG LYS 62 2HG LYS 62 23.184 7.234 7.281 449 2HG LYS 62 1HG LYS 62 24.701 8.057 7.629 450 1HD LYS 62 2HD LYS 62 25.335 6.040 9.042 451 2HD LYS 62 1HD LYS 62 23.926 5.226 8.353 452 1HE LYS 62 2HE LYS 62 24.805 5.571 6.087 453 2HE LYS 62 1HE LYS 62 26.188 6.436 6.739 454 1HZ LYS 62 2HZ LYS 62 26.743 4.337 7.968 455 2HZ LYS 62 1HZ LYS 62 25.528 3.556 7.079 456 3HZ LYS 62 3HZ LYS 62 26.865 4.215 6.279 457 H ILE 63 H ILE 63 20.444 7.605 9.479 458 HA ILE 63 HA ILE 63 19.644 7.254 6.777 459 HB ILE 63 HB ILE 63 17.790 7.150 9.176 460 1HG1 ILE 63 2HG1 ILE 63 18.753 4.632 7.933 461 2HG1 ILE 63 1HG1 ILE 63 19.998 5.539 8.780 462 1HG2 ILE 63 3HG2 ILE 63 16.620 7.286 7.019 463 2HG2 ILE 63 2HG2 ILE 63 17.557 5.927 6.410 464 3HG2 ILE 63 1HG2 ILE 63 16.423 5.693 7.745 465 1HD1 ILE 63 2HD1 ILE 63 18.087 5.724 10.624 466 2HD1 ILE 63 1HD1 ILE 63 17.563 4.225 9.848 467 3HD1 ILE 63 3HD1 ILE 63 19.181 4.350 10.532 468 H VAL 64 H VAL 64 18.637 9.696 9.158 469 HA VAL 64 HA VAL 64 16.616 11.029 7.697 470 HB VAL 64 HB VAL 64 18.494 12.161 9.783 471 1HG1 VAL 64 1HG1 VAL 64 16.947 13.820 8.566 472 2HG1 VAL 64 3HG1 VAL 64 15.610 12.948 9.317 473 3HG1 VAL 64 2HG1 VAL 64 16.799 13.776 10.318 474 1HG2 VAL 64 3HG2 VAL 64 16.736 10.029 10.183 475 2HG2 VAL 64 2HG2 VAL 64 17.472 11.030 11.420 476 3HG2 VAL 64 1HG2 VAL 64 15.869 11.427 10.820 477 H THR 65 H THR 65 20.065 11.771 7.979 478 HA THR 65 HA THR 65 20.079 13.991 6.195 479 HB THR 65 HB THR 65 22.424 12.067 6.593 480 HG1 THR 65 HG1 THR 65 22.949 13.245 8.360 481 1HG2 THR 65 3HG2 THR 65 22.271 14.965 5.744 482 2HG2 THR 65 2HG2 THR 65 23.770 14.084 6.047 483 3HG2 THR 65 1HG2 THR 65 22.712 13.600 4.728 484 H LEU 66 H LEU 66 20.285 10.526 5.617 485 HA LEU 66 HA LEU 66 20.990 10.441 2.884 486 1HB LEU 66 2HB LEU 66 20.025 8.611 4.877 487 2HB LEU 66 1HB LEU 66 19.128 8.348 3.405 488 HG LEU 66 HG LEU 66 21.061 6.895 3.629 489 1HD1 LEU 66 1HD1 LEU 66 20.302 7.743 1.341 490 2HD1 LEU 66 3HD1 LEU 66 21.723 8.790 1.382 491 3HD1 LEU 66 2HD1 LEU 66 21.915 7.040 1.447 492 1HD2 LEU 66 1HD2 LEU 66 22.474 8.603 4.888 493 2HD2 LEU 66 3HD2 LEU 66 23.318 7.648 3.667 494 3HD2 LEU 66 2HD2 LEU 66 22.845 9.309 3.312 495 H ASN 67 H ASN 67 17.782 10.615 4.385 496 HA ASN 67 HA ASN 67 15.737 11.264 3.654 497 1HB ASN 67 2HB ASN 67 16.839 13.314 3.042 498 2HB ASN 67 1HB ASN 67 17.436 12.620 1.549 499 1HD2 ASN 67 2HD2 ASN 67 14.683 14.070 -0.090 500 2HD2 ASN 67 1HD2 ASN 67 16.364 13.850 -0.056 501 HA PRO 68 HA PRO 68 15.257 7.761 0.709 502 1HB PRO 68 2HB PRO 68 13.601 6.308 2.302 503 2HB PRO 68 1HB PRO 68 15.369 6.275 2.422 504 1HG PRO 68 2HG PRO 68 13.413 7.435 4.280 505 2HG PRO 68 1HG PRO 68 15.115 7.002 4.552 506 1HD PRO 68 2HD PRO 68 14.021 9.622 4.051 507 2HD PRO 68 1HD PRO 68 15.713 9.174 4.367 508 HA PRO 69 HA PRO 69 11.166 8.781 -0.863 509 1HB PRO 69 2HB PRO 69 10.235 6.435 -1.867 510 2HB PRO 69 1HB PRO 69 11.555 7.355 -2.611 511 1HG PRO 69 2HG PRO 69 11.699 4.832 -1.067 512 2HG PRO 69 1HG PRO 69 12.796 5.476 -2.307 513 1HD PRO 69 2HD PRO 69 13.240 5.534 0.480 514 2HD PRO 69 1HD PRO 69 14.159 6.400 -0.762 515 H ASN 70 H ASN 70 8.950 8.871 -0.295 516 HA ASN 70 HA ASN 70 8.216 7.787 2.275 517 1HB ASN 70 2HB ASN 70 7.456 10.072 1.583 518 2HB ASN 70 1HB ASN 70 6.482 9.333 0.332 519 1HD2 ASN 70 2HD2 ASN 70 4.969 8.203 3.954 520 2HD2 ASN 70 1HD2 ASN 70 6.543 7.699 3.596 521 H CYS 71 H CYS 71 7.735 5.769 2.483 522 HA CYS 71 HA CYS 71 5.418 4.539 1.502 523 1HB CYS 71 2HB CYS 71 6.422 2.763 0.087 524 2HB CYS 71 1HB CYS 71 6.406 4.348 -0.658 525 H ASP 72 H ASP 72 5.022 2.507 2.406 526 HA ASP 72 HA ASP 72 6.535 1.899 4.822 527 1HB ASP 72 2HB ASP 72 3.886 1.258 3.738 528 2HB ASP 72 1HB ASP 72 4.605 -0.024 4.699 529 H LEU 73 H LEU 73 7.290 -0.122 5.456 530 HA LEU 73 HA LEU 73 8.016 -2.105 3.373 531 1HB LEU 73 2HB LEU 73 9.778 -0.627 5.308 532 2HB LEU 73 1HB LEU 73 10.218 -2.234 4.771 533 HG LEU 73 HG LEU 73 9.527 -0.856 2.405 534 1HD1 LEU 73 2HD1 LEU 73 11.138 0.865 4.302 535 2HD1 LEU 73 1HD1 LEU 73 11.173 1.072 2.554 536 3HD1 LEU 73 3HD1 LEU 73 9.661 1.306 3.436 537 1HD2 LEU 73 3HD2 LEU 73 12.155 -1.588 3.718 538 2HD2 LEU 73 2HD2 LEU 73 11.272 -2.493 2.490 539 3HD2 LEU 73 1HD2 LEU 73 12.058 -0.973 2.064 540 H THR 74 H THR 74 8.944 -4.133 4.494 541 HA THR 74 HA THR 74 7.331 -4.901 6.855 542 HB THR 74 HB THR 74 8.265 -7.262 5.653 543 HG1 THR 74 HG1 THR 74 7.046 -5.699 3.632 544 1HG2 THR 74 1HG2 THR 74 6.137 -6.845 6.876 545 2HG2 THR 74 3HG2 THR 74 5.474 -6.158 5.395 546 3HG2 THR 74 2HG2 THR 74 5.984 -7.846 5.439 547 H VAL 75 H VAL 75 8.314 -5.786 8.603 548 HA VAL 75 HA VAL 75 11.158 -5.504 8.926 549 HB VAL 75 HB VAL 75 9.119 -5.286 10.625 550 1HG1 VAL 75 3HG1 VAL 75 8.522 -7.676 10.345 551 2HG1 VAL 75 2HG1 VAL 75 9.982 -8.068 11.246 552 3HG1 VAL 75 1HG1 VAL 75 8.701 -7.109 12.007 553 1HG2 VAL 75 1HG2 VAL 75 11.709 -4.988 11.021 554 2HG2 VAL 75 3HG2 VAL 75 10.624 -5.167 12.397 555 3HG2 VAL 75 2HG2 VAL 75 11.563 -6.544 11.838 556 HA PRO 76 HA PRO 76 12.421 -9.565 7.712 557 1HB PRO 76 2HB PRO 76 14.885 -9.711 8.868 558 2HB PRO 76 1HB PRO 76 14.520 -8.732 7.437 559 1HG PRO 76 2HG PRO 76 15.021 -7.849 10.210 560 2HG PRO 76 1HG PRO 76 15.204 -6.961 8.688 561 1HD PRO 76 2HD PRO 76 13.063 -6.735 10.519 562 2HD PRO 76 1HD PRO 76 13.159 -6.003 8.902 563 H THR 77 H THR 77 11.087 -11.047 8.626 564 HA THR 77 HA THR 77 10.232 -12.682 9.835 565 HB THR 77 HB THR 77 12.668 -13.341 9.408 566 HG1 THR 77 HG1 THR 77 11.391 -14.998 9.644 567 1HG2 THR 77 1HG2 THR 77 13.013 -12.314 12.060 568 2HG2 THR 77 3HG2 THR 77 13.229 -14.063 12.108 569 3HG2 THR 77 2HG2 THR 77 14.200 -13.081 11.017 570 H SER 78 H SER 78 10.674 -9.934 11.420 571 HA SER 78 HA SER 78 10.314 -10.735 14.182 572 1HB SER 78 2HB SER 78 10.992 -8.353 12.998 573 2HB SER 78 1HB SER 78 9.295 -8.109 13.344 574 HG SER 78 HG SER 78 10.459 -7.417 14.988 575 H GLY 79 H GLY 79 8.087 -9.581 11.686 576 1HA GLY 79 2HA GLY 79 5.856 -10.501 11.404 577 2HA GLY 79 1HA GLY 79 5.791 -10.785 13.136 578 H LEU 80 H LEU 80 6.811 -7.773 11.540 579 HA LEU 80 HA LEU 80 4.356 -6.316 12.187 580 1HB LEU 80 2HB LEU 80 6.563 -6.367 13.943 581 2HB LEU 80 1HB LEU 80 6.656 -4.821 13.144 582 HG LEU 80 HG LEU 80 5.459 -4.728 15.268 583 1HD1 LEU 80 2HD1 LEU 80 4.790 -3.274 13.264 584 2HD1 LEU 80 1HD1 LEU 80 3.344 -4.286 13.194 585 3HD1 LEU 80 3HD1 LEU 80 3.702 -3.358 14.649 586 1HD2 LEU 80 3HD2 LEU 80 4.481 -7.055 15.153 587 2HD2 LEU 80 2HD2 LEU 80 3.362 -5.804 15.684 588 3HD2 LEU 80 1HD2 LEU 80 3.276 -6.419 14.034 589 H VAL 81 H VAL 81 4.424 -4.105 11.276 590 HA VAL 81 HA VAL 81 5.892 -3.910 8.724 591 HB VAL 81 HB VAL 81 3.441 -2.456 9.799 592 1HG1 VAL 81 2HG1 VAL 81 5.139 -1.702 7.622 593 2HG1 VAL 81 1HG1 VAL 81 3.601 -2.235 6.959 594 3HG1 VAL 81 3HG1 VAL 81 3.644 -0.957 8.169 595 1HG2 VAL 81 2HG2 VAL 81 3.086 -4.873 9.212 596 2HG2 VAL 81 1HG2 VAL 81 2.157 -3.761 8.212 597 3HG2 VAL 81 3HG2 VAL 81 3.615 -4.511 7.573 598 H LEU 82 H LEU 82 7.093 -2.085 8.228 599 HA LEU 82 HA LEU 82 7.611 -0.009 10.263 600 1HB LEU 82 2HB LEU 82 9.244 -1.820 10.638 601 2HB LEU 82 1HB LEU 82 9.789 -1.658 8.974 602 HG LEU 82 HG LEU 82 10.349 0.783 9.532 603 1HD1 LEU 82 3HD1 LEU 82 8.921 0.822 11.619 604 2HD1 LEU 82 2HD1 LEU 82 10.103 -0.241 12.374 605 3HD1 LEU 82 1HD1 LEU 82 10.577 1.379 11.863 606 1HD2 LEU 82 2HD2 LEU 82 11.745 -1.527 10.917 607 2HD2 LEU 82 1HD2 LEU 82 12.156 -0.792 9.367 608 3HD2 LEU 82 3HD2 LEU 82 12.410 0.103 10.864 609 H ASN 83 H ASN 83 7.647 1.928 9.362 610 HA ASN 83 HA ASN 83 8.002 2.296 6.444 611 1HB ASN 83 2HB ASN 83 5.931 3.211 7.743 612 2HB ASN 83 1HB ASN 83 7.044 4.364 8.447 613 1HD2 ASN 83 2HD2 ASN 83 5.411 5.429 5.060 614 2HD2 ASN 83 1HD2 ASN 83 4.719 4.426 6.236 615 H VAL 84 H VAL 84 10.191 2.344 6.222 616 HA VAL 84 HA VAL 84 11.999 3.507 8.041 617 HB VAL 84 HB VAL 84 12.481 2.953 5.086 618 1HG1 VAL 84 1HG1 VAL 84 14.411 3.255 7.399 619 2HG1 VAL 84 3HG1 VAL 84 14.860 2.596 5.827 620 3HG1 VAL 84 2HG1 VAL 84 14.320 4.260 5.954 621 1HG2 VAL 84 1HG2 VAL 84 11.649 0.995 6.508 622 2HG2 VAL 84 3HG2 VAL 84 13.203 0.760 5.700 623 3HG2 VAL 84 2HG2 VAL 84 13.147 1.150 7.424 624 H TYR 85 H TYR 85 10.177 5.079 5.542 625 HA TYR 85 HA TYR 85 11.721 7.524 5.347 626 1HB TYR 85 2HB TYR 85 10.061 6.790 3.615 627 2HB TYR 85 1HB TYR 85 8.797 6.930 4.784 628 HD1 TYR 85 HD1 TYR 85 11.224 8.899 2.762 629 HD2 TYR 85 HD2 TYR 85 7.807 9.019 5.352 630 HE1 TYR 85 HE1 TYR 85 10.852 11.274 2.153 631 HE2 TYR 85 HE2 TYR 85 7.427 11.388 4.754 632 HH TYR 85 HH TYR 85 8.645 12.871 2.170 633 H SER 86 H SER 86 8.572 6.819 6.812 634 HA SER 86 HA SER 86 8.400 9.153 8.422 635 1HB SER 86 2HB SER 86 6.544 7.555 7.566 636 2HB SER 86 1HB SER 86 6.870 6.621 9.006 637 HG SER 86 HG SER 86 5.374 8.084 9.649 638 H TYR 87 H TYR 87 9.740 6.003 9.167 639 HA TYR 87 HA TYR 87 9.958 6.017 11.953 640 1HB TYR 87 2HB TYR 87 10.657 4.126 10.637 641 2HB TYR 87 1HB TYR 87 11.782 5.077 9.728 642 HD1 TYR 87 HD2 TYR 87 11.091 3.604 13.039 643 HD2 TYR 87 HD1 TYR 87 14.018 5.433 10.504 644 HE1 TYR 87 HE2 TYR 87 12.873 2.962 14.643 645 HE2 TYR 87 HE1 TYR 87 15.804 4.803 12.091 646 HH TYR 87 HH TYR 87 15.382 2.553 14.580 647 H ALA 88 H ALA 88 12.376 7.104 9.652 648 HA ALA 88 HA ALA 88 14.160 8.344 11.391 649 1HB ALA 88 2HB ALA 88 14.073 7.624 8.747 650 2HB ALA 88 1HB ALA 88 14.303 9.389 8.695 651 3HB ALA 88 3HB ALA 88 15.427 8.354 9.597 652 H ASN 89 H ASN 89 11.929 9.992 9.169 653 HA ASN 89 HA ASN 89 12.510 12.615 10.066 654 1HB ASN 89 2HB ASN 89 9.810 11.930 8.892 655 2HB ASN 89 1HB ASN 89 10.719 13.436 8.793 656 1HD2 ASN 89 2HD2 ASN 89 12.901 11.319 6.339 657 2HD2 ASN 89 1HD2 ASN 89 13.325 11.678 7.935 658 H GLY 90 H GLY 90 10.225 10.302 11.397 659 1HA GLY 90 2HA GLY 90 8.759 12.085 13.087 660 2HA GLY 90 1HA GLY 90 8.841 10.329 13.219 661 H PHE 91 H PHE 91 11.372 9.781 13.790 662 HA PHE 91 HA PHE 91 11.791 10.014 16.461 663 1HB PHE 91 2HB PHE 91 13.107 8.682 14.587 664 2HB PHE 91 1HB PHE 91 14.279 9.934 14.816 665 HD1 PHE 91 HD1 PHE 91 15.472 10.187 16.934 666 HD2 PHE 91 HD2 PHE 91 12.619 7.021 16.393 667 HE1 PHE 91 HE1 PHE 91 16.354 9.047 18.954 668 HE2 PHE 91 HE2 PHE 91 13.499 5.885 18.410 669 HZ PHE 91 HZ PHE 91 15.366 6.894 19.690 670 H SER 92 H SER 92 13.723 12.126 14.232 671 HA SER 92 HA SER 92 14.889 13.659 16.308 672 1HB SER 92 2HB SER 92 14.392 14.398 13.420 673 2HB SER 92 1HB SER 92 15.184 15.467 14.542 674 HG SER 92 HG SER 92 16.059 13.060 13.370 675 H ASN 93 H ASN 93 12.008 14.528 14.419 676 HA ASN 93 HA ASN 93 11.491 17.013 15.662 677 1HB ASN 93 2HB ASN 93 9.730 15.043 14.166 678 2HB ASN 93 1HB ASN 93 9.057 16.513 14.878 679 1HD2 ASN 93 2HD2 ASN 93 11.599 17.005 11.688 680 2HD2 ASN 93 1HD2 ASN 93 11.725 15.542 12.519 681 H LYS 94 H LYS 94 10.220 13.789 16.408 682 HA LYS 94 HA LYS 94 8.641 14.557 18.621 683 1HB LYS 94 2HB LYS 94 9.890 11.871 17.931 684 2HB LYS 94 1HB LYS 94 8.799 12.101 19.298 685 1HG LYS 94 2HG LYS 94 7.945 12.972 16.554 686 2HG LYS 94 1HG LYS 94 7.890 11.267 16.959 687 1HD LYS 94 2HD LYS 94 6.621 13.177 18.889 688 2HD LYS 94 1HD LYS 94 5.828 12.933 17.343 689 1HE LYS 94 2HE LYS 94 6.649 10.622 19.112 690 2HE LYS 94 1HE LYS 94 5.092 11.416 19.259 691 1HZ LYS 94 1HZ LYS 94 6.112 10.204 16.739 692 2HZ LYS 94 3HZ LYS 94 5.072 9.428 17.818 693 3HZ LYS 94 2HZ LYS 94 4.550 10.821 17.007 694 H CYS 95 H CYS 95 11.996 13.466 18.381 695 HA CYS 95 HA CYS 95 12.702 13.384 21.118 696 1HB CYS 95 2HB CYS 95 14.170 12.579 19.222 697 2HB CYS 95 1HB CYS 95 14.513 14.258 18.838 698 H SER 96 H SER 96 12.807 16.129 18.803 699 HA SER 96 HA SER 96 13.911 18.073 20.518 700 1HB SER 96 2HB SER 96 12.928 18.112 17.894 701 2HB SER 96 1HB SER 96 11.827 19.170 18.763 702 HG SER 96 HG SER 96 13.751 20.220 17.936 703 H SER 97 H SER 97 10.534 17.119 20.089 704 HA SER 97 HA SER 97 9.488 19.003 22.081 705 1HB SER 97 2HB SER 97 8.306 16.869 20.335 706 2HB SER 97 1HB SER 97 7.409 17.412 21.734 707 HG SER 97 HG SER 97 7.865 18.661 19.351 708 H LEU 98 HN LEU 98 10.817 15.801 22.311 709 HA LEU 98 HA LEU 98 9.459 15.127 24.820 710 1HB LEU 98 2HB LEU 98 9.576 13.464 23.085 711 2HB LEU 98 1HB LEU 98 11.271 13.732 22.873 712 HG LEU 98 HG LEU 98 10.380 11.579 24.030 713 1HD1 LEU 98 2HD1 LEU 98 12.794 12.732 23.876 714 2HD1 LEU 98 1HD1 LEU 98 12.584 12.767 25.620 715 3HD1 LEU 98 3HD1 LEU 98 12.506 11.232 24.762 716 1HD2 LEU 98 2HD2 LEU 98 9.131 12.906 25.866 717 2HD2 LEU 98 1HD2 LEU 98 10.191 11.596 26.406 718 3HD2 LEU 98 3HD2 LEU 98 10.740 13.268 26.512 No H/Q in entry = 718 Start of MODEL 4 1 1H THR 1 2H THR 1 0.876 3.088 1.280 2 2H THR 1 1H THR 1 -0.406 3.150 0.176 3 3H THR 1 3H THR 1 -0.076 1.706 0.989 4 HA THR 1 HA THR 1 0.803 1.304 -1.054 5 HB THR 1 HB THR 1 2.185 3.989 -1.135 6 HG1 THR 1 HG1 THR 1 -0.272 3.517 -2.474 7 1HG2 THR 1 2HG2 THR 1 2.923 2.111 -2.654 8 2HG2 THR 1 1HG2 THR 1 1.331 2.181 -3.406 9 3HG2 THR 1 3HG2 THR 1 2.404 3.578 -3.479 10 H ALA 2 H ALA 2 2.530 0.050 -1.157 11 HA ALA 2 HA ALA 2 4.682 0.216 0.879 12 1HB ALA 2 3HB ALA 2 3.184 -1.808 0.635 13 2HB ALA 2 2HB ALA 2 3.946 -2.083 -0.929 14 3HB ALA 2 1HB ALA 2 4.915 -2.138 0.542 15 H CYS 3 H CYS 3 6.843 -0.684 0.104 16 HA CYS 3 HA CYS 3 7.878 0.857 -2.116 17 1HB CYS 3 2HB CYS 3 9.316 -1.475 -0.828 18 2HB CYS 3 1HB CYS 3 10.016 -0.104 -1.646 19 H THR 4 H THR 4 9.169 -0.196 -3.951 20 HA THR 4 HA THR 4 7.774 -2.612 -4.957 21 HB THR 4 HB THR 4 8.137 -1.719 -7.262 22 HG1 THR 4 HG1 THR 4 8.652 0.486 -7.474 23 1HG2 THR 4 1HG2 THR 4 6.485 -0.016 -5.387 24 2HG2 THR 4 3HG2 THR 4 6.286 -0.088 -7.141 25 3HG2 THR 4 2HG2 THR 4 5.989 -1.521 -6.157 26 H ALA 5 H ALA 5 10.533 -1.238 -6.630 27 HA ALA 5 HA ALA 5 12.198 -3.565 -5.805 28 1HB ALA 5 2HB ALA 5 11.260 -3.546 -8.215 29 2HB ALA 5 1HB ALA 5 12.354 -2.201 -8.517 30 3HB ALA 5 3HB ALA 5 12.998 -3.777 -8.052 31 H THR 6 H THR 6 12.597 -0.425 -7.481 32 HA THR 6 HA THR 6 15.223 0.141 -6.558 33 HB THR 6 HB THR 6 13.113 2.178 -7.407 34 HG1 THR 6 HG1 THR 6 13.840 1.774 -9.520 35 1HG2 THR 6 2HG2 THR 6 16.135 2.185 -7.588 36 2HG2 THR 6 1HG2 THR 6 15.064 3.454 -8.183 37 3HG2 THR 6 3HG2 THR 6 15.169 3.127 -6.454 38 H GLN 7 H GLN 7 12.046 1.167 -5.389 39 HA GLN 7 HA GLN 7 12.766 2.815 -3.197 40 1HB GLN 7 2HB GLN 7 10.374 1.529 -4.259 41 2HB GLN 7 1HB GLN 7 10.393 1.414 -2.520 42 1HG GLN 7 2HG GLN 7 9.211 3.391 -3.049 43 2HG GLN 7 1HG GLN 7 10.768 3.909 -2.451 44 1HE2 GLN 7 2HE2 GLN 7 10.803 4.341 -6.508 45 2HE2 GLN 7 1HE2 GLN 7 10.770 2.777 -5.867 46 H GLN 8 H GLN 8 12.205 -0.666 -3.409 47 HA GLN 8 HA GLN 8 12.665 -1.268 -0.656 48 1HB GLN 8 2HB GLN 8 11.354 -2.780 -2.134 49 2HB GLN 8 1HB GLN 8 12.800 -3.108 -3.069 50 1HG GLN 8 2HG GLN 8 13.829 -4.280 -1.282 51 2HG GLN 8 1HG GLN 8 12.685 -3.661 -0.100 52 1HE2 GLN 8 2HE2 GLN 8 11.126 -6.506 -2.643 53 2HE2 GLN 8 1HE2 GLN 8 12.098 -5.297 -3.327 54 H THR 9 H THR 9 14.836 -1.461 -3.443 55 HA THR 9 HA THR 9 17.110 -2.439 -2.039 56 HB THR 9 HB THR 9 18.357 -1.437 -3.999 57 HG1 THR 9 HG1 THR 9 15.805 -1.155 -5.180 58 1HG2 THR 9 3HG2 THR 9 17.862 -3.784 -3.830 59 2HG2 THR 9 2HG2 THR 9 16.261 -3.537 -4.517 60 3HG2 THR 9 1HG2 THR 9 17.698 -3.263 -5.502 61 H ALA 10 H ALA 10 15.808 0.783 -2.485 62 HA ALA 10 HA ALA 10 18.122 2.262 -1.631 63 1HB ALA 10 1HB ALA 10 16.157 3.190 -2.998 64 2HB ALA 10 3HB ALA 10 15.218 3.152 -1.507 65 3HB ALA 10 2HB ALA 10 16.641 4.185 -1.625 66 H ALA 11 H ALA 11 15.097 1.256 -0.055 67 HA ALA 11 HA ALA 11 15.785 2.189 2.585 68 1HB ALA 11 1HB ALA 11 13.833 0.051 1.691 69 2HB ALA 11 3HB ALA 11 13.953 0.651 3.349 70 3HB ALA 11 2HB ALA 11 13.454 1.742 2.055 71 H TYR 12 H TYR 12 16.272 -0.855 0.889 72 HA TYR 12 HA TYR 12 17.234 -2.399 3.100 73 1HB TYR 12 2HB TYR 12 17.059 -2.737 0.152 74 2HB TYR 12 1HB TYR 12 18.340 -3.638 0.941 75 HD1 TYR 12 HD1 TYR 12 14.870 -2.788 2.172 76 HD2 TYR 12 HD2 TYR 12 17.646 -5.837 0.966 77 HE1 TYR 12 HE1 TYR 12 13.251 -4.536 2.858 78 HE2 TYR 12 HE2 TYR 12 16.028 -7.580 1.650 79 HH TYR 12 HH TYR 12 13.935 -7.503 3.512 80 H LYS 13 H LYS 13 18.900 -0.505 0.542 81 HA LYS 13 HA LYS 13 21.563 -1.177 1.208 82 1HB LYS 13 2HB LYS 13 21.076 0.081 -0.820 83 2HB LYS 13 1HB LYS 13 20.374 1.401 0.091 84 1HG LYS 13 2HG LYS 13 22.601 1.934 1.025 85 2HG LYS 13 1HG LYS 13 23.293 0.567 0.170 86 1HD LYS 13 2HD LYS 13 23.717 1.962 -1.526 87 2HD LYS 13 1HD LYS 13 21.997 2.016 -1.846 88 1HE LYS 13 2HE LYS 13 23.338 3.869 0.138 89 2HE LYS 13 1HE LYS 13 23.231 4.246 -1.569 90 1HZ LYS 13 3HZ LYS 13 20.736 3.514 -0.185 91 2HZ LYS 13 2HZ LYS 13 21.423 5.022 0.157 92 3HZ LYS 13 1HZ LYS 13 21.004 4.625 -1.438 93 H THR 14 H THR 14 19.571 1.568 2.291 94 HA THR 14 HA THR 14 21.254 2.678 4.248 95 HB THR 14 HB THR 14 18.224 2.683 4.370 96 HG1 THR 14 HG1 THR 14 18.128 4.080 2.751 97 1HG2 THR 14 2HG2 THR 14 20.326 4.181 5.691 98 2HG2 THR 14 1HG2 THR 14 19.190 5.240 4.856 99 3HG2 THR 14 3HG2 THR 14 18.606 4.081 6.048 100 H LEU 15 H LEU 15 18.441 0.603 4.864 101 HA LEU 15 HA LEU 15 18.826 0.098 7.605 102 1HB LEU 15 2HB LEU 15 16.721 -0.156 6.285 103 2HB LEU 15 1HB LEU 15 17.345 -1.658 5.642 104 HG LEU 15 HG LEU 15 17.666 -2.173 8.270 105 1HD1 LEU 15 3HD1 LEU 15 15.312 -0.272 8.145 106 2HD1 LEU 15 2HD1 LEU 15 15.690 -1.324 9.505 107 3HD1 LEU 15 1HD1 LEU 15 16.803 -0.028 9.060 108 1HD2 LEU 15 2HD2 LEU 15 15.930 -3.036 6.276 109 2HD2 LEU 15 1HD2 LEU 15 16.077 -3.730 7.888 110 3HD2 LEU 15 3HD2 LEU 15 14.839 -2.522 7.559 111 H VAL 16 H VAL 16 19.343 -2.411 5.066 112 HA VAL 16 HA VAL 16 20.556 -4.269 6.737 113 HB VAL 16 HB VAL 16 19.888 -4.156 4.075 114 1HG1 VAL 16 3HG1 VAL 16 22.271 -3.386 3.542 115 2HG1 VAL 16 2HG1 VAL 16 22.745 -5.042 3.935 116 3HG1 VAL 16 1HG1 VAL 16 21.592 -4.735 2.643 117 1HG2 VAL 16 3HG2 VAL 16 19.822 -6.025 5.800 118 2HG2 VAL 16 2HG2 VAL 16 20.085 -6.488 4.126 119 3HG2 VAL 16 1HG2 VAL 16 21.441 -6.444 5.248 120 H SER 17 H SER 17 22.199 -1.642 4.989 121 HA SER 17 HA SER 17 24.859 -2.334 5.702 122 1HB SER 17 2HB SER 17 23.562 0.357 5.147 123 2HB SER 17 1HB SER 17 25.272 0.222 5.529 124 HG SER 17 HG SER 17 23.813 -0.617 3.291 125 H ILE 18 H ILE 18 22.489 -0.269 7.461 126 HA ILE 18 HA ILE 18 24.242 0.120 9.717 127 HB ILE 18 HB ILE 18 21.725 1.141 8.889 128 1HG1 ILE 18 2HG1 ILE 18 23.615 2.474 9.662 129 2HG1 ILE 18 1HG1 ILE 18 22.153 2.879 10.550 130 1HG2 ILE 18 2HG2 ILE 18 21.475 0.019 11.663 131 2HG2 ILE 18 1HG2 ILE 18 20.455 1.295 11.000 132 3HG2 ILE 18 3HG2 ILE 18 20.446 -0.311 10.265 133 1HD1 ILE 18 1HD1 ILE 18 24.355 1.041 11.542 134 2HD1 ILE 18 3HD1 ILE 18 24.126 2.719 12.032 135 3HD1 ILE 18 2HD1 ILE 18 22.916 1.500 12.444 136 H LEU 19 H LEU 19 21.747 -2.325 9.006 137 HA LEU 19 HA LEU 19 21.638 -3.482 11.583 138 1HB LEU 19 2HB LEU 19 21.239 -4.947 8.968 139 2HB LEU 19 1HB LEU 19 20.809 -5.543 10.559 140 HG LEU 19 HG LEU 19 19.685 -2.948 9.499 141 1HD1 LEU 19 3HD1 LEU 19 19.205 -5.559 8.450 142 2HD1 LEU 19 2HD1 LEU 19 17.765 -5.055 9.332 143 3HD1 LEU 19 1HD1 LEU 19 18.409 -4.044 8.036 144 1HD2 LEU 19 2HD2 LEU 19 19.464 -3.421 11.932 145 2HD2 LEU 19 1HD2 LEU 19 17.896 -3.443 11.127 146 3HD2 LEU 19 3HD2 LEU 19 18.692 -4.961 11.549 147 H SER 20 H SER 20 23.959 -4.134 8.948 148 HA SER 20 HA SER 20 25.217 -6.264 10.527 149 1HB SER 20 2HB SER 20 26.637 -6.591 8.517 150 2HB SER 20 1HB SER 20 24.931 -6.667 8.167 151 HG SER 20 HG SER 20 26.846 -4.669 7.556 152 H ASP 21 H ASP 21 25.361 -3.316 11.378 153 HA ASP 21 HA ASP 21 28.300 -2.983 11.544 154 1HB ASP 21 2HB ASP 21 26.892 -1.203 10.432 155 2HB ASP 21 1HB ASP 21 26.159 -0.907 12.003 156 H ALA 22 H ALA 22 29.186 -2.318 13.524 157 HA ALA 22 HA ALA 22 28.119 -3.569 15.878 158 1HB ALA 22 1HB ALA 22 30.551 -1.840 15.368 159 2HB ALA 22 3HB ALA 22 30.141 -2.421 16.983 160 3HB ALA 22 2HB ALA 22 30.480 -3.567 15.694 161 H SER 23 H SER 23 27.740 -0.310 14.618 162 HA SER 23 HA SER 23 27.285 1.200 16.956 163 1HB SER 23 2HB SER 23 27.515 2.196 14.657 164 2HB SER 23 1HB SER 23 25.956 1.527 14.244 165 HG SER 23 HG SER 23 26.604 3.783 15.639 166 H PHE 24 H PHE 24 24.975 -0.621 14.933 167 HA PHE 24 HA PHE 24 22.621 0.009 16.422 168 1HB PHE 24 2HB PHE 24 22.406 -0.663 14.167 169 2HB PHE 24 1HB PHE 24 23.388 -2.078 14.353 170 HD1 PHE 24 HD2 PHE 24 20.086 -0.639 15.528 171 HD2 PHE 24 HD1 PHE 24 22.253 -4.164 14.329 172 HE1 PHE 24 HE2 PHE 24 18.016 -1.966 15.664 173 HE2 PHE 24 HE1 PHE 24 20.188 -5.473 14.469 174 HZ PHE 24 HZ PHE 24 18.056 -4.391 15.131 175 H ASN 25 H ASN 25 24.907 -2.703 16.565 176 HA ASN 25 HA ASN 25 23.600 -4.211 18.602 177 1HB ASN 25 2HB ASN 25 26.183 -4.234 17.251 178 2HB ASN 25 1HB ASN 25 26.387 -4.573 18.941 179 1HD2 ASN 25 2HD2 ASN 25 24.796 -7.470 16.669 180 2HD2 ASN 25 1HD2 ASN 25 25.367 -6.062 15.913 181 H GLN 26 H GLN 26 26.007 -1.606 18.750 182 HA GLN 26 HA GLN 26 26.515 -1.463 21.493 183 1HB GLN 26 2HB GLN 26 27.702 -0.154 19.672 184 2HB GLN 26 1HB GLN 26 26.314 0.918 19.659 185 1HG GLN 26 2HG GLN 26 27.704 2.098 21.070 186 2HG GLN 26 1HG GLN 26 26.881 1.127 22.266 187 1HE2 GLN 26 2HE2 GLN 26 29.859 -0.580 23.192 188 2HE2 GLN 26 1HE2 GLN 26 28.188 -0.412 23.476 189 H CYS 27 H CYS 27 24.061 0.288 19.629 190 HA CYS 27 HA CYS 27 22.799 1.697 21.727 191 1HB CYS 27 2HB CYS 27 21.881 0.821 18.962 192 2HB CYS 27 1HB CYS 27 20.811 1.662 20.058 193 H SER 28 H SER 28 21.890 -1.427 20.227 194 HA SER 28 HA SER 28 19.621 -2.121 21.705 195 1HB SER 28 2HB SER 28 21.859 -3.991 20.858 196 2HB SER 28 1HB SER 28 20.237 -4.471 21.290 197 HG SER 28 HG SER 28 21.160 -3.802 18.918 198 H THR 29 H THR 29 22.996 -2.892 22.545 199 HA THR 29 HA THR 29 22.558 -4.124 25.066 200 HB THR 29 HB THR 29 24.965 -2.746 23.843 201 HG1 THR 29 HG1 THR 29 24.442 -4.680 22.834 202 1HG2 THR 29 2HG2 THR 29 24.803 -4.312 26.428 203 2HG2 THR 29 1HG2 THR 29 26.312 -3.961 25.580 204 3HG2 THR 29 3HG2 THR 29 25.329 -2.645 26.220 205 H ASP 30 H ASP 30 23.167 -0.754 24.249 206 HA ASP 30 HA ASP 30 23.501 0.394 26.795 207 1HB ASP 30 2HB ASP 30 22.840 1.379 24.103 208 2HB ASP 30 1HB ASP 30 22.350 2.404 25.431 209 H SER 31 H SER 31 20.469 0.293 24.917 210 HA SER 31 HA SER 31 18.954 1.107 27.327 211 1HB SER 31 2HB SER 31 18.884 2.383 25.122 212 2HB SER 31 1HB SER 31 17.984 1.026 24.484 213 HG SER 31 HG SER 31 17.241 3.000 26.338 214 H GLY 32 H GLY 32 18.201 -1.096 24.554 215 1HA GLY 32 2HA GLY 32 17.931 -3.523 25.711 216 2HA GLY 32 1HA GLY 32 16.494 -2.700 26.317 217 H TYR 33 H TYR 33 15.729 -1.221 24.096 218 HA TYR 33 HA TYR 33 14.331 -3.135 22.552 219 1HB TYR 33 2HB TYR 33 13.454 -0.927 22.940 220 2HB TYR 33 1HB TYR 33 14.715 -0.200 21.958 221 HD1 TYR 33 HD1 TYR 33 11.775 -2.572 21.787 222 HD2 TYR 33 HD2 TYR 33 14.534 -0.105 19.602 223 HE1 TYR 33 HE1 TYR 33 10.474 -2.905 19.714 224 HE2 TYR 33 HE2 TYR 33 13.218 -0.445 17.535 225 HH TYR 33 HH TYR 33 10.141 -1.506 17.469 226 H SER 34 H SER 34 14.545 -4.033 20.670 227 HA SER 34 HA SER 34 16.841 -3.449 18.901 228 1HB SER 34 2HB SER 34 17.147 -5.869 18.549 229 2HB SER 34 1HB SER 34 17.387 -5.440 20.224 230 HG SER 34 HG SER 34 15.341 -6.327 20.669 231 H MET 35 H MET 35 16.297 -3.297 16.789 232 HA MET 35 HA MET 35 13.497 -3.472 15.986 233 1HB MET 35 2HB MET 35 15.187 -1.675 15.251 234 2HB MET 35 1HB MET 35 15.844 -2.904 14.177 235 1HG MET 35 2HG MET 35 13.472 -3.153 13.247 236 2HG MET 35 1HG MET 35 13.075 -1.668 14.114 237 1HE MET 35 1HE MET 35 13.255 0.475 13.249 238 2HE MET 35 3HE MET 35 14.966 0.668 13.689 239 3HE MET 35 2HE MET 35 14.405 1.113 12.083 240 H LEU 36 H LEU 36 16.318 -5.531 15.663 241 HA LEU 36 HA LEU 36 15.191 -7.154 13.522 242 1HB LEU 36 2HB LEU 36 17.776 -7.184 15.044 243 2HB LEU 36 1HB LEU 36 17.302 -8.572 14.087 244 HG LEU 36 HG LEU 36 17.914 -5.767 13.202 245 1HD1 LEU 36 2HD1 LEU 36 19.652 -7.663 13.533 246 2HD1 LEU 36 1HD1 LEU 36 18.968 -8.352 12.064 247 3HD1 LEU 36 3HD1 LEU 36 19.692 -6.746 12.029 248 1HD2 LEU 36 3HD2 LEU 36 16.577 -7.970 11.577 249 2HD2 LEU 36 2HD2 LEU 36 16.009 -6.315 11.809 250 3HD2 LEU 36 1HD2 LEU 36 17.450 -6.623 10.846 251 H THR 37 H THR 37 14.774 -7.288 16.992 252 HA THR 37 HA THR 37 13.904 -10.118 16.722 253 HB THR 37 HB THR 37 15.015 -8.731 19.190 254 HG1 THR 37 HG1 THR 37 16.204 -10.651 17.455 255 1HG2 THR 37 3HG2 THR 37 14.073 -11.539 18.672 256 2HG2 THR 37 2HG2 THR 37 15.111 -11.108 20.037 257 3HG2 THR 37 1HG2 THR 37 13.496 -10.401 19.894 258 H ALA 38 H ALA 38 13.374 -7.104 18.541 259 HA ALA 38 HA ALA 38 10.840 -7.739 19.650 260 1HB ALA 38 2HB ALA 38 12.550 -5.960 20.264 261 2HB ALA 38 1HB ALA 38 11.798 -4.980 19.008 262 3HB ALA 38 3HB ALA 38 10.838 -5.526 20.387 263 H LYS 39 H LYS 39 8.866 -6.481 19.287 264 HA LYS 39 HA LYS 39 8.198 -6.003 16.427 265 1HB LYS 39 2HB LYS 39 6.642 -7.471 18.572 266 2HB LYS 39 1HB LYS 39 5.846 -6.797 17.156 267 1HG LYS 39 2HG LYS 39 6.287 -8.981 16.470 268 2HG LYS 39 1HG LYS 39 7.648 -8.109 15.798 269 1HD LYS 39 2HD LYS 39 9.143 -9.191 17.102 270 2HD LYS 39 1HD LYS 39 8.149 -9.056 18.539 271 1HE LYS 39 2HE LYS 39 7.754 -11.096 16.324 272 2HE LYS 39 1HE LYS 39 8.552 -11.404 17.858 273 1HZ LYS 39 2HZ LYS 39 6.402 -10.646 18.922 274 2HZ LYS 39 1HZ LYS 39 5.693 -10.755 17.388 275 3HZ LYS 39 3HZ LYS 39 6.346 -12.138 18.109 276 H ALA 40 H ALA 40 6.960 -5.329 19.742 277 HA ALA 40 HA ALA 40 5.615 -2.893 18.978 278 1HB ALA 40 2HB ALA 40 6.327 -4.013 21.706 279 2HB ALA 40 1HB ALA 40 5.363 -2.561 21.458 280 3HB ALA 40 3HB ALA 40 4.767 -4.120 20.887 281 H LEU 41 H LEU 41 6.373 -0.795 19.048 282 HA LEU 41 HA LEU 41 9.140 -0.234 19.101 283 1HB LEU 41 2HB LEU 41 6.707 1.527 19.153 284 2HB LEU 41 1HB LEU 41 8.315 2.228 19.245 285 HG LEU 41 HG LEU 41 7.428 0.331 17.051 286 1HD1 LEU 41 2HD1 LEU 41 7.486 3.355 17.083 287 2HD1 LEU 41 1HD1 LEU 41 7.356 2.384 15.620 288 3HD1 LEU 41 3HD1 LEU 41 6.084 2.312 16.836 289 1HD2 LEU 41 3HD2 LEU 41 9.980 0.930 17.733 290 2HD2 LEU 41 2HD2 LEU 41 9.474 0.649 16.074 291 3HD2 LEU 41 1HD2 LEU 41 9.635 2.299 16.675 292 HA PRO 42 HA PRO 42 10.205 0.408 23.260 293 1HB PRO 42 2HB PRO 42 12.109 2.381 23.121 294 2HB PRO 42 1HB PRO 42 12.371 0.683 22.663 295 1HG PRO 42 2HG PRO 42 12.001 3.060 20.933 296 2HG PRO 42 1HG PRO 42 12.894 1.560 20.631 297 1HD PRO 42 2HD PRO 42 10.369 2.120 19.589 298 2HD PRO 42 1HD PRO 42 11.106 0.512 19.692 299 H THR 43 H THR 43 9.787 1.509 25.090 300 HA THR 43 HA THR 43 7.683 3.454 25.086 301 HB THR 43 HB THR 43 9.122 2.915 27.631 302 HG1 THR 43 HG1 THR 43 8.431 0.810 27.776 303 1HG2 THR 43 3HG2 THR 43 6.891 4.109 27.377 304 2HG2 THR 43 2HG2 THR 43 6.217 2.533 26.974 305 3HG2 THR 43 1HG2 THR 43 6.965 2.793 28.549 306 H THR 44 H THR 44 7.700 5.527 26.196 307 HA THR 44 HA THR 44 9.477 7.407 25.306 308 HB THR 44 HB THR 44 7.278 7.873 26.248 309 HG1 THR 44 HG1 THR 44 7.894 9.847 26.517 310 1HG2 THR 44 2HG2 THR 44 7.507 6.521 28.385 311 2HG2 THR 44 1HG2 THR 44 8.521 7.827 29.003 312 3HG2 THR 44 3HG2 THR 44 6.843 8.142 28.582 313 H ALA 45 H ALA 45 9.880 5.650 28.323 314 HA ALA 45 HA ALA 45 12.150 7.053 29.355 315 1HB ALA 45 1HB ALA 45 10.581 5.229 30.469 316 2HB ALA 45 3HB ALA 45 11.735 4.082 29.799 317 3HB ALA 45 2HB ALA 45 12.269 5.298 30.952 318 H GLN 46 H GLN 46 11.887 4.062 27.393 319 HA GLN 46 HA GLN 46 14.699 3.769 26.966 320 1HB GLN 46 2HB GLN 46 12.293 2.596 25.503 321 2HB GLN 46 1HB GLN 46 13.955 2.253 25.009 322 1HG GLN 46 2HG GLN 46 14.390 1.647 27.462 323 2HG GLN 46 1HG GLN 46 12.647 1.591 27.645 324 1HE2 GLN 46 2HE2 GLN 46 12.644 -1.758 26.540 325 2HE2 GLN 46 1HE2 GLN 46 11.992 -0.589 27.587 326 H TYR 47 H TYR 47 12.170 5.494 25.216 327 HA TYR 47 HA TYR 47 13.615 6.188 22.893 328 1HB TYR 47 2HB TYR 47 11.210 7.286 24.256 329 2HB TYR 47 1HB TYR 47 12.073 8.429 23.251 330 HD1 TYR 47 HD1 TYR 47 12.972 6.786 20.936 331 HD2 TYR 47 HD2 TYR 47 9.304 6.660 23.171 332 HE1 TYR 47 HE1 TYR 47 11.803 5.829 18.984 333 HE2 TYR 47 HE2 TYR 47 8.137 5.703 21.223 334 HH TYR 47 HH TYR 47 9.567 4.256 18.749 335 H LYS 48 H LYS 48 13.259 7.995 25.962 336 HA LYS 48 HA LYS 48 14.884 10.205 25.406 337 1HB LYS 48 2HB LYS 48 14.594 8.815 28.092 338 2HB LYS 48 1HB LYS 48 15.310 10.389 27.874 339 1HG LYS 48 2HG LYS 48 12.444 9.775 27.119 340 2HG LYS 48 1HG LYS 48 12.909 10.241 28.737 341 1HD LYS 48 2HD LYS 48 13.319 11.934 26.242 342 2HD LYS 48 1HD LYS 48 11.997 12.082 27.365 343 1HE LYS 48 2HE LYS 48 13.234 13.573 28.490 344 2HE LYS 48 1HE LYS 48 14.243 12.236 29.015 345 1HZ LYS 48 2HZ LYS 48 14.674 13.740 26.482 346 2HZ LYS 48 1HZ LYS 48 15.449 14.112 27.948 347 3HZ LYS 48 3HZ LYS 48 15.730 12.615 27.205 348 H LEU 49 H LEU 49 15.847 7.120 26.874 349 HA LEU 49 HA LEU 49 18.648 7.643 27.084 350 1HB LEU 49 2HB LEU 49 16.927 5.271 27.172 351 2HB LEU 49 1HB LEU 49 18.526 4.923 26.521 352 HG LEU 49 HG LEU 49 18.055 6.393 29.124 353 1HD1 LEU 49 2HD1 LEU 49 17.076 4.106 29.171 354 2HD1 LEU 49 1HD1 LEU 49 18.648 3.450 28.699 355 3HD1 LEU 49 3HD1 LEU 49 18.465 4.272 30.249 356 1HD2 LEU 49 3HD2 LEU 49 20.473 5.013 27.890 357 2HD2 LEU 49 2HD2 LEU 49 20.322 6.726 28.289 358 3HD2 LEU 49 1HD2 LEU 49 20.402 5.523 29.575 359 H MET 50 H MET 50 16.776 6.158 24.458 360 HA MET 50 HA MET 50 18.837 5.549 22.624 361 1HB MET 50 2HB MET 50 16.135 5.194 22.648 362 2HB MET 50 1HB MET 50 16.255 6.509 21.495 363 1HG MET 50 2HG MET 50 17.074 5.154 19.891 364 2HG MET 50 1HG MET 50 18.246 4.429 20.982 365 1HE MET 50 2HE MET 50 17.667 2.782 22.791 366 2HE MET 50 1HE MET 50 16.709 1.364 22.402 367 3HE MET 50 3HE MET 50 18.092 1.813 21.384 368 H CYS 51 H CYS 51 17.025 8.551 23.159 369 HA CYS 51 HA CYS 51 17.976 10.047 20.948 370 1HB CYS 51 2HB CYS 51 15.989 10.483 22.605 371 2HB CYS 51 1HB CYS 51 17.200 11.366 23.518 372 H ALA 52 H ALA 52 19.602 9.362 23.993 373 HA ALA 52 HA ALA 52 21.862 11.048 23.110 374 1HB ALA 52 3HB ALA 52 20.171 11.706 25.279 375 2HB ALA 52 2HB ALA 52 21.659 11.109 26.010 376 3HB ALA 52 1HB ALA 52 21.714 12.443 24.861 377 H SER 53 H SER 53 22.474 8.899 22.333 378 HA SER 53 HA SER 53 24.282 7.560 24.203 379 1HB SER 53 2HB SER 53 21.838 6.264 23.049 380 2HB SER 53 1HB SER 53 23.272 5.285 23.306 381 HG SER 53 HG SER 53 23.166 5.829 25.512 382 H THR 54 H THR 54 25.018 9.194 22.238 383 HA THR 54 HA THR 54 26.169 9.580 20.345 384 HB THR 54 HB THR 54 28.300 8.258 20.200 385 HG1 THR 54 HG1 THR 54 28.688 6.739 21.683 386 1HG2 THR 54 2HG2 THR 54 27.882 10.374 21.517 387 2HG2 THR 54 1HG2 THR 54 27.710 9.364 22.951 388 3HG2 THR 54 3HG2 THR 54 29.239 9.388 22.063 389 H ALA 55 H ALA 55 26.560 6.051 20.217 390 HA ALA 55 HA ALA 55 26.711 5.714 17.450 391 1HB ALA 55 3HB ALA 55 25.404 3.825 19.430 392 2HB ALA 55 2HB ALA 55 25.876 3.401 17.801 393 3HB ALA 55 1HB ALA 55 27.112 3.813 18.987 394 H CYS 56 H CYS 56 23.849 5.662 19.536 395 HA CYS 56 HA CYS 56 21.948 5.039 17.597 396 1HB CYS 56 2HB CYS 56 21.358 6.715 20.052 397 2HB CYS 56 1HB CYS 56 20.238 5.712 19.160 398 H ASN 57 H ASN 57 23.040 8.230 18.638 399 HA ASN 57 HA ASN 57 21.284 9.844 17.035 400 1HB ASN 57 2HB ASN 57 24.011 10.376 18.262 401 2HB ASN 57 1HB ASN 57 23.107 11.615 17.400 402 1HD2 ASN 57 2HD2 ASN 57 20.714 12.061 20.006 403 2HD2 ASN 57 1HD2 ASN 57 21.036 12.366 18.366 404 H THR 58 H THR 58 24.563 8.672 16.418 405 HA THR 58 HA THR 58 24.867 9.794 13.826 406 HB THR 58 HB THR 58 26.025 7.224 15.010 407 HG1 THR 58 HG1 THR 58 27.631 8.497 15.694 408 1HG2 THR 58 1HG2 THR 58 26.930 8.681 12.505 409 2HG2 THR 58 3HG2 THR 58 27.777 7.350 13.291 410 3HG2 THR 58 2HG2 THR 58 26.196 7.076 12.567 411 H MET 59 H MET 59 23.540 6.707 14.881 412 HA MET 59 HA MET 59 22.801 5.388 12.579 413 1HB MET 59 2HB MET 59 22.047 5.382 15.363 414 2HB MET 59 1HB MET 59 20.654 5.065 14.359 415 1HG MET 59 2HG MET 59 22.881 3.542 13.393 416 2HG MET 59 1HG MET 59 22.732 3.280 15.123 417 1HE MET 59 3HE MET 59 20.035 3.716 15.850 418 2HE MET 59 2HE MET 59 18.794 3.588 14.618 419 3HE MET 59 1HE MET 59 19.140 2.195 15.633 420 H ILE 60 H ILE 60 20.501 7.376 14.392 421 HA ILE 60 HA ILE 60 18.578 7.473 12.273 422 HB ILE 60 HB ILE 60 18.656 9.105 14.827 423 1HG1 ILE 60 2HG1 ILE 60 17.099 6.590 14.160 424 2HG1 ILE 60 1HG1 ILE 60 18.642 6.556 14.986 425 1HG2 ILE 60 3HG2 ILE 60 16.565 8.720 12.671 426 2HG2 ILE 60 2HG2 ILE 60 16.099 9.084 14.328 427 3HG2 ILE 60 1HG2 ILE 60 17.110 10.216 13.430 428 1HD1 ILE 60 2HD1 ILE 60 17.174 8.446 16.416 429 2HD1 ILE 60 1HD1 ILE 60 16.007 7.180 16.034 430 3HD1 ILE 60 3HD1 ILE 60 17.487 6.780 16.900 431 H LYS 61 H LYS 61 20.681 10.030 13.545 432 HA LYS 61 HA LYS 61 19.916 12.071 11.747 433 1HB LYS 61 2HB LYS 61 21.546 12.200 13.757 434 2HB LYS 61 1HB LYS 61 22.786 11.731 12.609 435 1HG LYS 61 2HG LYS 61 22.895 13.790 11.739 436 2HG LYS 61 1HG LYS 61 21.157 13.901 11.522 437 1HD LYS 61 2HD LYS 61 22.550 14.335 14.180 438 2HD LYS 61 1HD LYS 61 22.170 15.630 13.054 439 1HE LYS 61 2HE LYS 61 19.749 14.978 13.203 440 2HE LYS 61 1HE LYS 61 20.184 13.798 14.434 441 1HZ LYS 61 3HZ LYS 61 20.827 16.694 14.671 442 2HZ LYS 61 2HZ LYS 61 19.410 16.004 15.283 443 3HZ LYS 61 1HZ LYS 61 20.927 15.510 15.881 444 H LYS 62 H LYS 62 22.211 9.449 11.246 445 HA LYS 62 HA LYS 62 23.231 10.307 8.699 446 1HB LYS 62 2HB LYS 62 24.418 8.602 10.022 447 2HB LYS 62 1HB LYS 62 23.061 7.499 9.860 448 1HG LYS 62 2HG LYS 62 23.448 7.594 7.335 449 2HG LYS 62 1HG LYS 62 24.953 8.456 7.684 450 1HD LYS 62 2HD LYS 62 25.332 6.470 9.368 451 2HD LYS 62 1HD LYS 62 24.184 5.640 8.332 452 1HE LYS 62 2HE LYS 62 25.965 5.085 7.052 453 2HE LYS 62 1HE LYS 62 25.972 6.759 6.510 454 1HZ LYS 62 3HZ LYS 62 27.439 5.725 8.885 455 2HZ LYS 62 2HZ LYS 62 28.143 6.038 7.380 456 3HZ LYS 62 1HZ LYS 62 27.491 7.312 8.307 457 H ILE 63 H ILE 63 20.688 8.006 9.570 458 HA ILE 63 HA ILE 63 19.834 7.399 6.923 459 HB ILE 63 HB ILE 63 18.259 7.350 9.532 460 1HG1 ILE 63 2HG1 ILE 63 19.452 5.010 8.036 461 2HG1 ILE 63 1HG1 ILE 63 20.416 5.930 9.176 462 1HG2 ILE 63 3HG2 ILE 63 17.655 6.075 6.834 463 2HG2 ILE 63 2HG2 ILE 63 16.800 5.708 8.330 464 3HG2 ILE 63 1HG2 ILE 63 16.703 7.324 7.638 465 1HD1 ILE 63 1HD1 ILE 63 17.777 4.614 9.853 466 2HD1 ILE 63 3HD1 ILE 63 19.365 3.908 10.163 467 3HD1 ILE 63 2HD1 ILE 63 18.891 5.402 10.976 468 H VAL 64 H VAL 64 18.906 10.041 9.121 469 HA VAL 64 HA VAL 64 16.808 11.165 7.575 470 HB VAL 64 HB VAL 64 18.643 12.522 9.546 471 1HG1 VAL 64 2HG1 VAL 64 15.934 13.292 8.426 472 2HG1 VAL 64 1HG1 VAL 64 16.628 14.056 9.853 473 3HG1 VAL 64 3HG1 VAL 64 17.435 14.200 8.292 474 1HG2 VAL 64 2HG2 VAL 64 17.002 10.441 10.166 475 2HG2 VAL 64 1HG2 VAL 64 17.385 11.752 11.276 476 3HG2 VAL 64 3HG2 VAL 64 15.880 11.789 10.361 477 H THR 65 H THR 65 20.230 12.128 7.814 478 HA THR 65 HA THR 65 20.186 14.217 5.949 479 HB THR 65 HB THR 65 22.651 13.487 5.555 480 HG1 THR 65 HG1 THR 65 22.891 11.541 6.403 481 1HG2 THR 65 1HG2 THR 65 22.023 15.446 6.808 482 2HG2 THR 65 3HG2 THR 65 21.716 14.470 8.244 483 3HG2 THR 65 2HG2 THR 65 23.356 14.622 7.613 484 H LEU 66 H LEU 66 20.454 10.752 5.411 485 HA LEU 66 HA LEU 66 21.133 10.781 2.625 486 1HB LEU 66 2HB LEU 66 20.043 8.792 4.548 487 2HB LEU 66 1HB LEU 66 19.697 8.494 2.864 488 HG LEU 66 HG LEU 66 21.759 7.439 3.995 489 1HD1 LEU 66 3HD1 LEU 66 21.310 7.251 1.605 490 2HD1 LEU 66 2HD1 LEU 66 22.088 8.810 1.319 491 3HD1 LEU 66 1HD1 LEU 66 23.036 7.443 1.907 492 1HD2 LEU 66 2HD2 LEU 66 22.644 9.709 4.809 493 2HD2 LEU 66 1HD2 LEU 66 23.809 8.644 4.029 494 3HD2 LEU 66 3HD2 LEU 66 23.120 9.999 3.137 495 H ASN 67 H ASN 67 18.022 10.756 4.311 496 HA ASN 67 HA ASN 67 15.886 11.166 3.709 497 1HB ASN 67 2HB ASN 67 17.100 13.288 2.942 498 2HB ASN 67 1HB ASN 67 16.966 12.655 1.316 499 1HD2 ASN 67 2HD2 ASN 67 13.990 14.634 1.325 500 2HD2 ASN 67 1HD2 ASN 67 15.621 14.633 0.864 501 HA PRO 68 HA PRO 68 15.780 7.630 0.716 502 1HB PRO 68 2HB PRO 68 14.174 6.069 2.252 503 2HB PRO 68 1HB PRO 68 15.943 6.125 2.405 504 1HG PRO 68 2HG PRO 68 13.867 7.334 4.163 505 2HG PRO 68 1HG PRO 68 15.477 6.713 4.581 506 1HD PRO 68 2HD PRO 68 14.864 9.408 4.301 507 2HD PRO 68 1HD PRO 68 16.495 8.716 4.212 508 HA PRO 69 HA PRO 69 11.722 8.573 -0.950 509 1HB PRO 69 2HB PRO 69 11.100 6.331 -2.361 510 2HB PRO 69 1HB PRO 69 12.339 7.494 -2.853 511 1HG PRO 69 2HG PRO 69 12.688 4.773 -1.775 512 2HG PRO 69 1HG PRO 69 13.790 5.755 -2.751 513 1HD PRO 69 2HD PRO 69 13.931 5.344 0.067 514 2HD PRO 69 1HD PRO 69 14.935 6.436 -0.918 515 H ASN 70 H ASN 70 9.541 8.443 -0.552 516 HA ASN 70 HA ASN 70 8.585 7.162 1.817 517 1HB ASN 70 2HB ASN 70 7.761 9.359 1.010 518 2HB ASN 70 1HB ASN 70 6.979 8.553 -0.343 519 1HD2 ASN 70 2HD2 ASN 70 5.318 8.056 3.393 520 2HD2 ASN 70 1HD2 ASN 70 6.947 8.510 3.311 521 H CYS 71 H CYS 71 8.063 5.176 2.061 522 HA CYS 71 HA CYS 71 6.082 3.762 0.690 523 1HB CYS 71 2HB CYS 71 7.223 2.049 -0.511 524 2HB CYS 71 1HB CYS 71 7.797 3.579 -1.135 525 H ASP 72 H ASP 72 5.485 1.917 1.732 526 HA ASP 72 HA ASP 72 6.541 1.528 4.418 527 1HB ASP 72 2HB ASP 72 4.234 0.407 2.837 528 2HB ASP 72 1HB ASP 72 4.680 -0.316 4.383 529 H LEU 73 H LEU 73 7.986 0.041 5.046 530 HA LEU 73 HA LEU 73 8.852 -2.103 3.176 531 1HB LEU 73 2HB LEU 73 10.481 -0.219 3.844 532 2HB LEU 73 1HB LEU 73 10.445 -0.914 5.451 533 HG LEU 73 HG LEU 73 11.142 -3.132 4.309 534 1HD1 LEU 73 1HD1 LEU 73 10.673 -2.123 1.972 535 2HD1 LEU 73 3HD1 LEU 73 12.207 -1.277 2.174 536 3HD1 LEU 73 2HD1 LEU 73 12.158 -3.040 2.177 537 1HD2 LEU 73 3HD2 LEU 73 12.981 -0.727 4.424 538 2HD2 LEU 73 2HD2 LEU 73 12.645 -1.853 5.734 539 3HD2 LEU 73 1HD2 LEU 73 13.541 -2.395 4.314 540 H THR 74 H THR 74 8.490 -4.189 3.838 541 HA THR 74 HA THR 74 7.522 -4.645 6.581 542 HB THR 74 HB THR 74 7.695 -6.969 4.746 543 HG1 THR 74 HG1 THR 74 6.154 -6.328 3.396 544 1HG2 THR 74 2HG2 THR 74 6.768 -7.144 7.001 545 2HG2 THR 74 1HG2 THR 74 5.517 -5.975 6.578 546 3HG2 THR 74 3HG2 THR 74 5.577 -7.538 5.764 547 H VAL 75 H VAL 75 8.442 -5.949 8.049 548 HA VAL 75 HA VAL 75 11.222 -6.865 7.551 549 HB VAL 75 HB VAL 75 9.921 -6.204 10.217 550 1HG1 VAL 75 2HG1 VAL 75 12.815 -6.748 9.491 551 2HG1 VAL 75 1HG1 VAL 75 12.236 -6.253 11.080 552 3HG1 VAL 75 3HG1 VAL 75 11.748 -7.810 10.415 553 1HG2 VAL 75 2HG2 VAL 75 11.712 -4.578 8.400 554 2HG2 VAL 75 1HG2 VAL 75 10.166 -4.110 9.100 555 3HG2 VAL 75 3HG2 VAL 75 11.597 -4.235 10.125 556 HA PRO 76 HA PRO 76 9.283 -10.915 7.969 557 1HB PRO 76 2HB PRO 76 11.455 -12.392 7.279 558 2HB PRO 76 1HB PRO 76 10.394 -11.580 6.113 559 1HG PRO 76 2HG PRO 76 13.117 -10.802 7.021 560 2HG PRO 76 1HG PRO 76 12.318 -10.515 5.463 561 1HD PRO 76 2HD PRO 76 12.605 -8.594 7.462 562 2HD PRO 76 1HD PRO 76 11.443 -8.523 6.121 563 H THR 77 H THR 77 12.337 -10.125 9.665 564 HA THR 77 HA THR 77 12.554 -12.361 11.357 565 HB THR 77 HB THR 77 13.967 -10.938 12.730 566 HG1 THR 77 HG1 THR 77 13.522 -8.696 11.084 567 1HG2 THR 77 2HG2 THR 77 14.814 -11.922 10.591 568 2HG2 THR 77 1HG2 THR 77 14.566 -10.349 9.836 569 3HG2 THR 77 3HG2 THR 77 15.708 -10.518 11.170 570 H SER 78 H SER 78 11.144 -9.206 12.044 571 HA SER 78 HA SER 78 10.014 -9.931 14.626 572 1HB SER 78 2HB SER 78 9.094 -7.582 14.511 573 2HB SER 78 1HB SER 78 10.833 -7.684 14.299 574 HG SER 78 HG SER 78 10.372 -6.577 12.537 575 H GLY 79 H GLY 79 8.712 -9.147 11.444 576 1HA GLY 79 2HA GLY 79 6.817 -10.120 10.362 577 2HA GLY 79 1HA GLY 79 6.238 -10.698 11.937 578 H LEU 80 H LEU 80 7.332 -7.430 11.008 579 HA LEU 80 HA LEU 80 4.638 -6.308 11.395 580 1HB LEU 80 2HB LEU 80 6.763 -6.196 13.300 581 2HB LEU 80 1HB LEU 80 6.592 -4.594 12.636 582 HG LEU 80 HG LEU 80 5.301 -4.867 14.673 583 1HD1 LEU 80 1HD1 LEU 80 4.434 -3.434 12.790 584 2HD1 LEU 80 3HD1 LEU 80 3.309 -4.742 12.422 585 3HD1 LEU 80 2HD1 LEU 80 3.246 -3.937 13.992 586 1HD2 LEU 80 2HD2 LEU 80 4.837 -7.358 14.378 587 2HD2 LEU 80 1HD2 LEU 80 3.475 -6.392 14.941 588 3HD2 LEU 80 3HD2 LEU 80 3.557 -6.897 13.257 589 H VAL 81 H VAL 81 4.446 -4.151 10.543 590 HA VAL 81 HA VAL 81 6.069 -3.640 8.134 591 HB VAL 81 HB VAL 81 3.479 -2.353 9.062 592 1HG1 VAL 81 3HG1 VAL 81 4.872 -2.210 6.378 593 2HG1 VAL 81 2HG1 VAL 81 3.251 -1.597 6.707 594 3HG1 VAL 81 1HG1 VAL 81 4.638 -0.888 7.520 595 1HG2 VAL 81 1HG2 VAL 81 3.909 -4.580 7.044 596 2HG2 VAL 81 3HG2 VAL 81 3.019 -4.680 8.564 597 3HG2 VAL 81 2HG2 VAL 81 2.400 -3.696 7.242 598 H LEU 82 H LEU 82 7.357 -1.815 7.951 599 HA LEU 82 HA LEU 82 7.236 0.276 10.046 600 1HB LEU 82 2HB LEU 82 9.010 -1.331 10.655 601 2HB LEU 82 1HB LEU 82 9.744 -1.101 9.079 602 HG LEU 82 HG LEU 82 10.165 1.306 9.668 603 1HD1 LEU 82 3HD1 LEU 82 8.274 1.440 11.380 604 2HD1 LEU 82 2HD1 LEU 82 9.294 0.497 12.460 605 3HD1 LEU 82 1HD1 LEU 82 9.821 2.091 11.926 606 1HD2 LEU 82 3HD2 LEU 82 11.208 -0.836 11.547 607 2HD2 LEU 82 2HD2 LEU 82 11.953 -0.262 10.054 608 3HD2 LEU 82 1HD2 LEU 82 11.869 0.795 11.457 609 H ASN 83 H ASN 83 7.233 2.290 9.183 610 HA ASN 83 HA ASN 83 7.883 2.598 6.316 611 1HB ASN 83 2HB ASN 83 5.672 3.579 7.253 612 2HB ASN 83 1HB ASN 83 6.680 4.760 8.097 613 1HD2 ASN 83 2HD2 ASN 83 6.298 5.109 4.038 614 2HD2 ASN 83 1HD2 ASN 83 5.694 3.719 4.796 615 H VAL 84 H VAL 84 9.970 2.843 6.073 616 HA VAL 84 HA VAL 84 11.757 3.977 7.978 617 HB VAL 84 HB VAL 84 12.400 3.672 5.026 618 1HG1 VAL 84 1HG1 VAL 84 14.074 3.546 7.549 619 2HG1 VAL 84 3HG1 VAL 84 14.677 3.211 5.927 620 3HG1 VAL 84 2HG1 VAL 84 14.099 4.823 6.338 621 1HG2 VAL 84 2HG2 VAL 84 12.601 1.543 7.198 622 2HG2 VAL 84 1HG2 VAL 84 11.470 1.510 5.853 623 3HG2 VAL 84 3HG2 VAL 84 13.198 1.386 5.552 624 H TYR 85 H TYR 85 9.953 5.478 5.356 625 HA TYR 85 HA TYR 85 11.471 7.921 5.181 626 1HB TYR 85 2HB TYR 85 9.729 7.100 3.516 627 2HB TYR 85 1HB TYR 85 8.475 7.578 4.618 628 HD1 TYR 85 HD2 TYR 85 11.226 8.795 2.473 629 HD2 TYR 85 HD1 TYR 85 7.956 9.951 4.987 630 HE1 TYR 85 HE2 TYR 85 11.397 11.109 1.626 631 HE2 TYR 85 HE1 TYR 85 8.118 12.277 4.143 632 HH TYR 85 HH TYR 85 9.648 13.145 1.421 633 H SER 86 H SER 86 8.425 7.118 6.821 634 HA SER 86 HA SER 86 8.318 9.521 8.389 635 1HB SER 86 2HB SER 86 6.863 6.887 8.784 636 2HB SER 86 1HB SER 86 6.637 8.286 9.819 637 HG SER 86 HG SER 86 5.981 9.449 7.960 638 H TYR 87 H TYR 87 10.090 6.610 8.944 639 HA TYR 87 HA TYR 87 10.461 6.706 11.751 640 1HB TYR 87 2HB TYR 87 11.140 4.866 10.222 641 2HB TYR 87 1HB TYR 87 12.396 5.845 9.560 642 HD1 TYR 87 HD2 TYR 87 11.196 5.106 13.050 643 HD2 TYR 87 HD1 TYR 87 14.476 5.289 10.299 644 HE1 TYR 87 HE2 TYR 87 12.750 4.412 14.869 645 HE2 TYR 87 HE1 TYR 87 16.049 4.594 12.116 646 HH TYR 87 HH TYR 87 15.525 3.135 14.531 647 H ALA 88 H ALA 88 12.589 7.925 9.194 648 HA ALA 88 HA ALA 88 14.390 9.384 10.795 649 1HB ALA 88 1HB ALA 88 13.663 9.649 7.880 650 2HB ALA 88 3HB ALA 88 15.102 10.358 8.626 651 3HB ALA 88 2HB ALA 88 14.899 8.600 8.574 652 H ASN 89 H ASN 89 11.596 10.621 9.004 653 HA ASN 89 HA ASN 89 11.892 13.366 9.850 654 1HB ASN 89 2HB ASN 89 9.296 12.196 8.881 655 2HB ASN 89 1HB ASN 89 9.854 13.849 8.777 656 1HD2 ASN 89 2HD2 ASN 89 12.213 12.745 6.037 657 2HD2 ASN 89 1HD2 ASN 89 12.461 13.456 7.551 658 H GLY 90 H GLY 90 10.119 10.659 11.255 659 1HA GLY 90 2HA GLY 90 8.571 12.329 13.097 660 2HA GLY 90 1HA GLY 90 8.514 10.584 12.943 661 H PHE 91 H PHE 91 11.374 10.100 13.366 662 HA PHE 91 HA PHE 91 11.465 9.929 16.182 663 1HB PHE 91 2HB PHE 91 12.841 8.663 14.395 664 2HB PHE 91 1HB PHE 91 13.998 9.971 14.548 665 HD1 PHE 91 HD2 PHE 91 14.843 10.540 16.942 666 HD2 PHE 91 HD1 PHE 91 12.814 6.881 15.953 667 HE1 PHE 91 HE2 PHE 91 15.750 9.497 18.980 668 HE2 PHE 91 HE1 PHE 91 13.724 5.836 17.994 669 HZ PHE 91 HZ PHE 91 15.191 7.129 19.522 670 H SER 92 H SER 92 13.460 12.128 14.177 671 HA SER 92 HA SER 92 14.653 13.600 16.251 672 1HB SER 92 2HB SER 92 14.094 14.279 13.368 673 2HB SER 92 1HB SER 92 14.694 15.518 14.445 674 HG SER 92 HG SER 92 15.884 13.031 13.722 675 H ASN 93 H ASN 93 11.629 14.456 14.530 676 HA ASN 93 HA ASN 93 11.031 16.827 15.954 677 1HB ASN 93 2HB ASN 93 9.933 15.771 13.814 678 2HB ASN 93 1HB ASN 93 8.857 14.990 14.958 679 1HD2 ASN 93 2HD2 ASN 93 6.849 17.888 14.949 680 2HD2 ASN 93 1HD2 ASN 93 6.915 16.192 14.845 681 H LYS 94 H LYS 94 10.364 13.436 16.747 682 HA LYS 94 HA LYS 94 8.759 14.050 19.083 683 1HB LYS 94 2HB LYS 94 9.653 11.585 17.694 684 2HB LYS 94 1HB LYS 94 9.585 11.439 19.447 685 1HG LYS 94 2HG LYS 94 7.425 10.821 18.706 686 2HG LYS 94 1HG LYS 94 7.254 12.457 19.322 687 1HD LYS 94 2HD LYS 94 7.872 12.889 16.655 688 2HD LYS 94 1HD LYS 94 6.886 11.432 16.592 689 1HE LYS 94 2HE LYS 94 5.211 12.642 18.076 690 2HE LYS 94 1HE LYS 94 6.145 14.103 17.793 691 1HZ LYS 94 3HZ LYS 94 5.246 12.515 15.468 692 2HZ LYS 94 2HZ LYS 94 4.137 13.510 16.277 693 3HZ LYS 94 1HZ LYS 94 5.535 14.179 15.597 694 H CYS 95 H CYS 95 12.164 13.378 18.448 695 HA CYS 95 HA CYS 95 13.018 13.006 21.141 696 1HB CYS 95 2HB CYS 95 14.398 13.437 18.564 697 2HB CYS 95 1HB CYS 95 15.198 14.259 19.885 698 H SER 96 H SER 96 12.636 15.969 19.182 699 HA SER 96 HA SER 96 13.583 17.718 21.277 700 1HB SER 96 2HB SER 96 12.480 19.542 19.871 701 2HB SER 96 1HB SER 96 13.731 18.623 19.058 702 HG SER 96 HG SER 96 12.222 18.026 17.669 703 H SER 97 H SER 97 10.430 16.541 20.232 704 HA SER 97 HA SER 97 8.902 18.104 22.178 705 1HB SER 97 2HB SER 97 8.030 15.895 20.302 706 2HB SER 97 1HB SER 97 6.966 16.869 21.286 707 HG SER 97 HG SER 97 8.252 17.415 18.901 708 H LEU 98 HN LEU 98 10.683 15.213 22.583 709 HA LEU 98 HA LEU 98 8.934 14.354 24.827 710 1HB LEU 98 2HB LEU 98 8.916 12.911 22.786 711 2HB LEU 98 1HB LEU 98 10.609 12.573 23.062 712 HG LEU 98 HG LEU 98 8.574 12.047 25.228 713 1HD1 LEU 98 1HD1 LEU 98 9.188 10.399 22.775 714 2HD1 LEU 98 3HD1 LEU 98 8.542 9.670 24.244 715 3HD1 LEU 98 2HD1 LEU 98 7.606 10.892 23.385 716 1HD2 LEU 98 3HD2 LEU 98 11.364 11.137 24.536 717 2HD2 LEU 98 2HD2 LEU 98 10.686 11.587 26.097 718 3HD2 LEU 98 1HD2 LEU 98 10.306 10.019 25.400 No H/Q in entry = 718 Start of MODEL 5 1 1H THR 1 3H THR 1 5.124 -3.275 2.557 2 2H THR 1 2H THR 1 4.371 -4.776 2.272 3 3H THR 1 1H THR 1 5.620 -4.240 1.261 4 HA THR 1 HA THR 1 3.700 -3.914 0.060 5 HB THR 1 HB THR 1 2.189 -4.198 1.961 6 HG1 THR 1 HG1 THR 1 0.585 -2.681 1.204 7 1HG2 THR 1 2HG2 THR 1 2.991 -1.374 2.645 8 2HG2 THR 1 1HG2 THR 1 1.445 -2.040 3.159 9 3HG2 THR 1 3HG2 THR 1 2.946 -2.792 3.688 10 H ALA 2 H ALA 2 2.826 -1.816 -0.917 11 HA ALA 2 HA ALA 2 3.134 0.147 -1.930 12 1HB ALA 2 1HB ALA 2 3.971 0.750 0.815 13 2HB ALA 2 3HB ALA 2 4.522 1.902 -0.408 14 3HB ALA 2 2HB ALA 2 2.810 1.541 -0.239 15 H CYS 3 H CYS 3 6.427 0.074 -0.397 16 HA CYS 3 HA CYS 3 7.757 1.199 -2.549 17 1HB CYS 3 2HB CYS 3 9.308 -1.036 -1.374 18 2HB CYS 3 1HB CYS 3 9.791 0.588 -1.753 19 H THR 4 H THR 4 8.690 0.671 -4.389 20 HA THR 4 HA THR 4 7.923 -1.864 -5.667 21 HB THR 4 HB THR 4 8.633 -0.710 -7.776 22 HG1 THR 4 HG1 THR 4 10.104 0.728 -7.285 23 1HG2 THR 4 2HG2 THR 4 6.319 -0.554 -6.654 24 2HG2 THR 4 1HG2 THR 4 6.765 1.096 -6.247 25 3HG2 THR 4 3HG2 THR 4 6.687 0.588 -7.935 26 H ALA 5 H ALA 5 10.081 -2.047 -7.583 27 HA ALA 5 HA ALA 5 11.888 -3.674 -6.184 28 1HB ALA 5 1HB ALA 5 11.330 -3.470 -8.781 29 2HB ALA 5 3HB ALA 5 12.817 -2.524 -8.768 30 3HB ALA 5 2HB ALA 5 12.824 -4.191 -8.202 31 H THR 6 H THR 6 12.839 -0.595 -7.772 32 HA THR 6 HA THR 6 15.356 -0.462 -6.481 33 HB THR 6 HB THR 6 14.788 0.647 -8.624 34 HG1 THR 6 HG1 THR 6 16.069 2.125 -6.605 35 1HG2 THR 6 1HG2 THR 6 12.601 1.578 -7.926 36 2HG2 THR 6 3HG2 THR 6 13.450 2.809 -6.996 37 3HG2 THR 6 2HG2 THR 6 13.631 2.741 -8.747 38 H GLN 7 H GLN 7 12.286 1.090 -5.595 39 HA GLN 7 HA GLN 7 13.118 2.707 -3.450 40 1HB GLN 7 2HB GLN 7 10.571 1.301 -4.138 41 2HB GLN 7 1HB GLN 7 10.728 1.972 -2.525 42 1HG GLN 7 2HG GLN 7 11.541 4.122 -3.903 43 2HG GLN 7 1HG GLN 7 10.577 3.364 -5.162 44 1HE2 GLN 7 2HE2 GLN 7 7.617 4.641 -3.771 45 2HE2 GLN 7 1HE2 GLN 7 8.469 4.193 -5.170 46 H GLN 8 H GLN 8 11.936 -0.627 -3.348 47 HA GLN 8 HA GLN 8 12.418 -1.036 -0.589 48 1HB GLN 8 2HB GLN 8 10.946 -2.494 -2.203 49 2HB GLN 8 1HB GLN 8 12.450 -3.369 -2.483 50 1HG GLN 8 2HG GLN 8 12.667 -3.571 0.050 51 2HG GLN 8 1HG GLN 8 10.997 -3.022 0.158 52 1HE2 GLN 8 2HE2 GLN 8 9.646 -6.072 -1.074 53 2HE2 GLN 8 1HE2 GLN 8 9.287 -4.468 -0.672 54 H THR 9 H THR 9 14.401 -2.056 -3.356 55 HA THR 9 HA THR 9 16.389 -3.200 -1.724 56 HB THR 9 HB THR 9 15.964 -3.375 -4.274 57 HG1 THR 9 HG1 THR 9 18.482 -3.859 -3.096 58 1HG2 THR 9 2HG2 THR 9 16.888 -1.147 -4.860 59 2HG2 THR 9 1HG2 THR 9 18.461 -1.674 -4.255 60 3HG2 THR 9 3HG2 THR 9 17.744 -2.471 -5.656 61 H ALA 10 H ALA 10 15.869 0.133 -2.459 62 HA ALA 10 HA ALA 10 18.515 1.130 -1.822 63 1HB ALA 10 3HB ALA 10 16.611 2.420 -3.087 64 2HB ALA 10 2HB ALA 10 15.904 2.692 -1.497 65 3HB ALA 10 1HB ALA 10 17.501 3.332 -1.877 66 H ALA 11 H ALA 11 15.417 0.759 -0.154 67 HA ALA 11 HA ALA 11 16.317 1.537 2.450 68 1HB ALA 11 3HB ALA 11 13.966 -0.173 1.557 69 2HB ALA 11 2HB ALA 11 14.275 0.197 3.255 70 3HB ALA 11 1HB ALA 11 13.935 1.497 2.120 71 H TYR 12 H TYR 12 16.442 -1.510 0.680 72 HA TYR 12 HA TYR 12 17.071 -3.390 2.689 73 1HB TYR 12 2HB TYR 12 17.544 -3.191 -0.224 74 2HB TYR 12 1HB TYR 12 18.771 -4.104 0.603 75 HD1 TYR 12 HD2 TYR 12 15.063 -3.754 0.702 76 HD2 TYR 12 HD1 TYR 12 18.444 -6.379 0.588 77 HE1 TYR 12 HE2 TYR 12 13.519 -5.702 0.657 78 HE2 TYR 12 HE1 TYR 12 16.916 -8.333 0.541 79 HH TYR 12 HH TYR 12 14.369 -8.698 -0.269 80 H LYS 13 H LYS 13 19.380 -1.602 0.589 81 HA LYS 13 HA LYS 13 21.754 -2.275 1.881 82 1HB LYS 13 2HB LYS 13 21.202 -0.776 -0.288 83 2HB LYS 13 1HB LYS 13 21.525 0.526 0.842 84 1HG LYS 13 2HG LYS 13 23.680 -0.980 1.390 85 2HG LYS 13 1HG LYS 13 23.373 -1.567 -0.238 86 1HD LYS 13 2HD LYS 13 24.763 0.193 -0.719 87 2HD LYS 13 1HD LYS 13 23.221 1.021 -0.807 88 1HE LYS 13 2HE LYS 13 23.718 2.340 0.953 89 2HE LYS 13 1HE LYS 13 24.293 0.995 1.920 90 1HZ LYS 13 3HZ LYS 13 25.947 2.126 -0.282 91 2HZ LYS 13 2HZ LYS 13 25.935 2.802 1.270 92 3HZ LYS 13 1HZ LYS 13 26.438 1.198 1.050 93 H THR 14 H THR 14 19.588 0.518 2.588 94 HA THR 14 HA THR 14 21.180 1.608 4.659 95 HB THR 14 HB THR 14 18.176 1.857 4.687 96 HG1 THR 14 HG1 THR 14 18.407 2.485 2.668 97 1HG2 THR 14 2HG2 THR 14 20.423 3.763 5.319 98 2HG2 THR 14 1HG2 THR 14 18.711 4.172 5.328 99 3HG2 THR 14 3HG2 THR 14 19.336 2.987 6.470 100 H LEU 15 H LEU 15 18.177 -0.243 5.186 101 HA LEU 15 HA LEU 15 18.473 -0.632 7.972 102 1HB LEU 15 2HB LEU 15 16.326 -0.785 7.185 103 2HB LEU 15 1HB LEU 15 16.770 -1.762 5.808 104 HG LEU 15 HG LEU 15 17.243 -3.218 8.296 105 1HD1 LEU 15 2HD1 LEU 15 14.623 -1.807 7.986 106 2HD1 LEU 15 1HD1 LEU 15 14.642 -3.439 8.644 107 3HD1 LEU 15 3HD1 LEU 15 15.549 -2.158 9.442 108 1HD2 LEU 15 1HD2 LEU 15 15.358 -3.624 5.942 109 2HD2 LEU 15 3HD2 LEU 15 16.980 -4.298 6.114 110 3HD2 LEU 15 2HD2 LEU 15 15.690 -4.821 7.188 111 H VAL 16 H VAL 16 19.023 -3.071 5.408 112 HA VAL 16 HA VAL 16 19.929 -5.147 7.058 113 HB VAL 16 HB VAL 16 20.653 -4.590 4.152 114 1HG1 VAL 16 1HG1 VAL 16 22.147 -6.219 5.407 115 2HG1 VAL 16 3HG1 VAL 16 20.705 -7.225 5.604 116 3HG1 VAL 16 2HG1 VAL 16 21.314 -6.844 3.980 117 1HG2 VAL 16 3HG2 VAL 16 18.505 -6.250 5.495 118 2HG2 VAL 16 2HG2 VAL 16 18.262 -4.826 4.476 119 3HG2 VAL 16 1HG2 VAL 16 18.865 -6.320 3.768 120 H SER 17 H SER 17 21.962 -2.674 5.395 121 HA SER 17 HA SER 17 24.378 -3.714 6.521 122 1HB SER 17 2HB SER 17 25.525 -1.938 5.521 123 2HB SER 17 1HB SER 17 24.169 -2.233 4.460 124 HG SER 17 HG SER 17 24.896 0.037 5.489 125 H ILE 18 H ILE 18 22.072 -1.421 7.800 126 HA ILE 18 HA ILE 18 23.731 -0.250 9.773 127 HB ILE 18 HB ILE 18 21.137 0.124 9.013 128 1HG1 ILE 18 2HG1 ILE 18 22.721 1.805 9.784 129 2HG1 ILE 18 1HG1 ILE 18 21.131 2.018 10.496 130 1HG2 ILE 18 1HG2 ILE 18 20.189 -1.545 10.525 131 2HG2 ILE 18 3HG2 ILE 18 20.920 -0.718 11.902 132 3HG2 ILE 18 2HG2 ILE 18 19.682 0.087 10.944 133 1HD1 ILE 18 1HD1 ILE 18 23.314 0.515 11.952 134 2HD1 ILE 18 3HD1 ILE 18 23.205 2.272 12.032 135 3HD1 ILE 18 2HD1 ILE 18 21.875 1.278 12.631 136 H LEU 19 H LEU 19 21.653 -3.127 10.161 137 HA LEU 19 HA LEU 19 22.459 -3.546 12.860 138 1HB LEU 19 2HB LEU 19 21.550 -5.903 12.570 139 2HB LEU 19 1HB LEU 19 20.431 -4.582 12.325 140 HG LEU 19 HG LEU 19 21.694 -5.213 9.832 141 1HD1 LEU 19 1HD1 LEU 19 20.997 -7.547 11.491 142 2HD1 LEU 19 3HD1 LEU 19 20.248 -7.552 9.895 143 3HD1 LEU 19 2HD1 LEU 19 21.997 -7.449 10.042 144 1HD2 LEU 19 3HD2 LEU 19 19.378 -4.172 10.421 145 2HD2 LEU 19 2HD2 LEU 19 19.484 -5.240 9.025 146 3HD2 LEU 19 1HD2 LEU 19 18.828 -5.845 10.540 147 H SER 20 H SER 20 24.113 -4.358 9.920 148 HA SER 20 HA SER 20 25.931 -6.209 11.321 149 1HB SER 20 2HB SER 20 26.827 -6.610 8.986 150 2HB SER 20 1HB SER 20 25.146 -7.015 9.214 151 HG SER 20 HG SER 20 26.173 -4.591 8.074 152 H ASP 21 H ASP 21 25.883 -3.197 11.812 153 HA ASP 21 HA ASP 21 28.734 -2.674 11.199 154 1HB ASP 21 2HB ASP 21 26.742 -1.350 10.085 155 2HB ASP 21 1HB ASP 21 26.783 -0.429 11.574 156 H ALA 22 H ALA 22 29.721 -1.018 12.773 157 HA ALA 22 HA ALA 22 29.191 -1.923 15.488 158 1HB ALA 22 1HB ALA 22 31.343 -0.108 14.381 159 2HB ALA 22 3HB ALA 22 31.224 -0.581 16.077 160 3HB ALA 22 2HB ALA 22 31.509 -1.812 14.846 161 H SER 23 H SER 23 27.192 -0.053 14.197 162 HA SER 23 HA SER 23 27.216 2.219 16.095 163 1HB SER 23 2HB SER 23 27.111 2.915 13.772 164 2HB SER 23 1HB SER 23 25.927 1.681 13.393 165 HG SER 23 HG SER 23 25.195 3.954 13.702 166 H PHE 24 H PHE 24 24.930 -0.034 14.512 167 HA PHE 24 HA PHE 24 22.846 0.142 16.415 168 1HB PHE 24 2HB PHE 24 22.809 -0.859 14.017 169 2HB PHE 24 1HB PHE 24 23.412 -2.317 14.740 170 HD1 PHE 24 HD1 PHE 24 20.581 0.102 14.789 171 HD2 PHE 24 HD2 PHE 24 21.913 -3.837 15.875 172 HE1 PHE 24 HE1 PHE 24 18.268 -0.532 15.363 173 HE2 PHE 24 HE2 PHE 24 19.588 -4.456 16.445 174 HZ PHE 24 HZ PHE 24 17.759 -2.807 16.191 175 H ASN 25 H ASN 25 25.707 -1.938 16.361 176 HA ASN 25 HA ASN 25 24.883 -3.639 18.469 177 1HB ASN 25 2HB ASN 25 27.594 -2.983 17.323 178 2HB ASN 25 1HB ASN 25 27.461 -4.014 18.746 179 1HD2 ASN 25 2HD2 ASN 25 26.133 -6.767 16.895 180 2HD2 ASN 25 1HD2 ASN 25 26.341 -6.171 18.470 181 H GLN 26 H GLN 26 26.742 -0.639 18.571 182 HA GLN 26 HA GLN 26 27.220 -0.561 21.353 183 1HB GLN 26 2HB GLN 26 28.477 0.784 19.675 184 2HB GLN 26 1HB GLN 26 27.066 1.774 19.424 185 1HG GLN 26 2HG GLN 26 27.153 2.587 21.699 186 2HG GLN 26 1HG GLN 26 28.497 1.489 22.077 187 1HE2 GLN 26 2HE2 GLN 26 30.932 3.567 20.413 188 2HE2 GLN 26 1HE2 GLN 26 30.655 2.013 21.024 189 H CYS 27 H CYS 27 24.520 0.787 19.499 190 HA CYS 27 HA CYS 27 23.320 1.958 21.904 191 1HB CYS 27 2HB CYS 27 22.908 2.542 19.362 192 2HB CYS 27 1HB CYS 27 21.591 1.387 19.528 193 H SER 28 H SER 28 22.679 -0.938 19.961 194 HA SER 28 HA SER 28 20.464 -1.994 21.331 195 1HB SER 28 2HB SER 28 22.764 -3.343 19.863 196 2HB SER 28 1HB SER 28 21.466 -4.285 20.570 197 HG SER 28 HG SER 28 21.481 -2.601 18.344 198 H THR 29 H THR 29 23.929 -2.476 22.031 199 HA THR 29 HA THR 29 23.650 -4.174 24.256 200 HB THR 29 HB THR 29 25.834 -2.229 23.458 201 HG1 THR 29 HG1 THR 29 25.924 -5.060 23.574 202 1HG2 THR 29 1HG2 THR 29 25.851 -4.134 25.818 203 2HG2 THR 29 3HG2 THR 29 27.287 -3.356 25.148 204 3HG2 THR 29 2HG2 THR 29 26.009 -2.380 25.874 205 H ASP 30 H ASP 30 23.601 -0.638 24.155 206 HA ASP 30 HA ASP 30 23.322 -0.400 27.046 207 1HB ASP 30 2HB ASP 30 23.143 1.702 24.853 208 2HB ASP 30 1HB ASP 30 22.941 2.025 26.562 209 H SER 31 H SER 31 21.144 1.008 24.658 210 HA SER 31 HA SER 31 18.757 -0.340 25.383 211 1HB SER 31 2HB SER 31 19.573 1.660 27.259 212 2HB SER 31 1HB SER 31 18.203 2.320 26.391 213 HG SER 31 HG SER 31 17.667 1.002 28.249 214 H GLY 32 H GLY 32 19.139 -0.319 23.145 215 1HA GLY 32 2HA GLY 32 18.282 2.077 21.634 216 2HA GLY 32 1HA GLY 32 19.313 0.800 21.003 217 H TYR 33 H TYR 33 17.369 -1.216 22.481 218 HA TYR 33 HA TYR 33 15.569 -2.443 22.047 219 1HB TYR 33 2HB TYR 33 14.129 -0.729 22.362 220 2HB TYR 33 1HB TYR 33 14.726 0.233 21.066 221 HD1 TYR 33 HD2 TYR 33 12.311 -2.532 21.879 222 HD2 TYR 33 HD1 TYR 33 14.041 -0.085 18.792 223 HE1 TYR 33 HE2 TYR 33 10.537 -3.227 20.309 224 HE2 TYR 33 HE1 TYR 33 12.270 -0.779 17.230 225 HH TYR 33 HH TYR 33 10.682 -2.989 17.095 226 H SER 34 H SER 34 14.915 -3.954 20.638 227 HA SER 34 HA SER 34 16.588 -4.344 18.311 228 1HB SER 34 2HB SER 34 15.563 -6.582 18.203 229 2HB SER 34 1HB SER 34 16.170 -6.223 19.798 230 HG SER 34 HG SER 34 13.958 -5.783 20.404 231 H MET 35 H MET 35 15.798 -2.534 17.046 232 HA MET 35 HA MET 35 13.154 -2.237 16.039 233 1HB MET 35 2HB MET 35 14.869 -0.477 15.919 234 2HB MET 35 1HB MET 35 15.796 -1.448 14.793 235 1HG MET 35 2HG MET 35 14.589 0.257 13.570 236 2HG MET 35 1HG MET 35 13.898 -1.304 13.176 237 1HE MET 35 1HE MET 35 12.828 1.731 12.871 238 2HE MET 35 3HE MET 35 11.566 2.207 14.027 239 3HE MET 35 2HE MET 35 13.257 2.253 14.493 240 H LEU 36 H LEU 36 15.851 -4.149 14.824 241 HA LEU 36 HA LEU 36 14.563 -4.936 12.376 242 1HB LEU 36 2HB LEU 36 16.471 -6.225 11.903 243 2HB LEU 36 1HB LEU 36 17.042 -4.792 12.733 244 HG LEU 36 HG LEU 36 16.724 -6.524 14.842 245 1HD1 LEU 36 1HD1 LEU 36 17.661 -8.172 12.475 246 2HD1 LEU 36 3HD1 LEU 36 17.726 -8.673 14.161 247 3HD1 LEU 36 2HD1 LEU 36 16.170 -8.432 13.379 248 1HD2 LEU 36 1HD2 LEU 36 18.700 -5.073 14.017 249 2HD2 LEU 36 3HD2 LEU 36 19.086 -6.541 14.916 250 3HD2 LEU 36 2HD2 LEU 36 19.219 -6.519 13.158 251 H THR 37 H THR 37 14.489 -6.440 15.599 252 HA THR 37 HA THR 37 12.751 -8.499 14.408 253 HB THR 37 HB THR 37 15.030 -9.392 14.671 254 HG1 THR 37 HG1 THR 37 14.306 -11.285 15.320 255 1HG2 THR 37 2HG2 THR 37 15.156 -8.085 17.106 256 2HG2 THR 37 1HG2 THR 37 14.926 -9.766 17.571 257 3HG2 THR 37 3HG2 THR 37 16.279 -9.320 16.536 258 H ALA 38 H ALA 38 11.343 -6.708 15.200 259 HA ALA 38 HA ALA 38 10.042 -7.594 17.626 260 1HB ALA 38 3HB ALA 38 11.214 -4.818 17.498 261 2HB ALA 38 2HB ALA 38 10.095 -5.374 18.748 262 3HB ALA 38 1HB ALA 38 11.691 -6.110 18.594 263 H LYS 39 H LYS 39 7.882 -7.035 17.711 264 HA LYS 39 HA LYS 39 6.788 -5.678 15.327 265 1HB LYS 39 2HB LYS 39 5.234 -7.286 15.214 266 2HB LYS 39 1HB LYS 39 6.336 -8.172 16.220 267 1HG LYS 39 2HG LYS 39 4.035 -6.534 17.329 268 2HG LYS 39 1HG LYS 39 3.872 -8.201 16.816 269 1HD LYS 39 2HD LYS 39 5.646 -8.865 18.432 270 2HD LYS 39 1HD LYS 39 5.719 -7.194 19.005 271 1HE LYS 39 2HE LYS 39 3.373 -7.273 19.657 272 2HE LYS 39 1HE LYS 39 3.217 -8.902 19.018 273 1HZ LYS 39 2HZ LYS 39 4.860 -9.641 20.676 274 2HZ LYS 39 1HZ LYS 39 4.926 -8.063 21.310 275 3HZ LYS 39 3HZ LYS 39 3.493 -8.954 21.400 276 H ALA 40 H ALA 40 7.371 -4.767 18.443 277 HA ALA 40 HA ALA 40 5.235 -2.696 18.449 278 1HB ALA 40 1HB ALA 40 4.913 -4.469 20.226 279 2HB ALA 40 3HB ALA 40 6.495 -4.010 20.863 280 3HB ALA 40 2HB ALA 40 5.175 -2.839 20.861 281 H LEU 41 H LEU 41 6.176 -0.684 18.392 282 HA LEU 41 HA LEU 41 8.959 -0.157 18.374 283 1HB LEU 41 2HB LEU 41 6.618 1.688 18.833 284 2HB LEU 41 1HB LEU 41 8.261 2.258 18.637 285 HG LEU 41 HG LEU 41 6.760 0.601 16.583 286 1HD1 LEU 41 1HD1 LEU 41 7.216 3.589 16.756 287 2HD1 LEU 41 3HD1 LEU 41 6.650 2.750 15.312 288 3HD1 LEU 41 2HD1 LEU 41 5.670 2.738 16.773 289 1HD2 LEU 41 2HD2 LEU 41 9.523 1.701 16.774 290 2HD2 LEU 41 1HD2 LEU 41 8.926 0.306 15.877 291 3HD2 LEU 41 3HD2 LEU 41 8.712 1.928 15.227 292 HA PRO 42 HA PRO 42 10.100 0.289 22.619 293 1HB PRO 42 2HB PRO 42 12.000 2.241 22.572 294 2HB PRO 42 1HB PRO 42 12.254 0.580 22.002 295 1HG PRO 42 2HG PRO 42 11.914 3.060 20.433 296 2HG PRO 42 1HG PRO 42 12.744 1.554 20.007 297 1HD PRO 42 2HD PRO 42 10.189 2.308 19.106 298 2HD PRO 42 1HD PRO 42 10.909 0.697 18.978 299 H THR 43 H THR 43 9.375 1.180 24.433 300 HA THR 43 HA THR 43 7.468 3.244 24.535 301 HB THR 43 HB THR 43 7.614 2.964 26.952 302 HG1 THR 43 HG1 THR 43 9.594 0.971 26.581 303 1HG2 THR 43 2HG2 THR 43 7.318 0.606 25.137 304 2HG2 THR 43 1HG2 THR 43 7.156 0.389 26.876 305 3HG2 THR 43 3HG2 THR 43 6.098 1.510 26.029 306 H THR 44 H THR 44 7.479 5.152 25.881 307 HA THR 44 HA THR 44 9.193 7.170 25.201 308 HB THR 44 HB THR 44 7.072 7.601 26.138 309 HG1 THR 44 HG1 THR 44 7.700 9.403 27.039 310 1HG2 THR 44 3HG2 THR 44 7.018 5.765 27.890 311 2HG2 THR 44 2HG2 THR 44 8.059 6.779 28.885 312 3HG2 THR 44 1HG2 THR 44 6.449 7.334 28.460 313 H ALA 45 H ALA 45 9.655 5.048 27.958 314 HA ALA 45 HA ALA 45 11.763 6.378 29.290 315 1HB ALA 45 1HB ALA 45 10.989 3.459 29.068 316 2HB ALA 45 3HB ALA 45 12.355 3.968 30.057 317 3HB ALA 45 2HB ALA 45 10.731 4.539 30.434 318 H GLN 46 H GLN 46 11.889 3.831 26.760 319 HA GLN 46 HA GLN 46 14.738 3.914 26.444 320 1HB GLN 46 2HB GLN 46 12.579 2.831 24.580 321 2HB GLN 46 1HB GLN 46 14.317 2.663 24.300 322 1HG GLN 46 2HG GLN 46 14.376 1.693 26.717 323 2HG GLN 46 1HG GLN 46 12.652 1.440 26.490 324 1HE2 GLN 46 2HE2 GLN 46 15.099 -1.284 24.935 325 2HE2 GLN 46 1HE2 GLN 46 15.563 -0.223 26.171 326 H TYR 47 H TYR 47 12.152 5.893 25.141 327 HA TYR 47 HA TYR 47 13.557 6.951 22.888 328 1HB TYR 47 2HB TYR 47 11.066 7.660 24.362 329 2HB TYR 47 1HB TYR 47 11.899 9.020 23.631 330 HD1 TYR 47 HD2 TYR 47 12.581 8.849 21.160 331 HD2 TYR 47 HD1 TYR 47 9.795 6.204 23.070 332 HE1 TYR 47 HE2 TYR 47 11.681 8.189 18.947 333 HE2 TYR 47 HE1 TYR 47 8.887 5.533 20.881 334 HH TYR 47 HH TYR 47 10.078 5.590 18.278 335 H LYS 48 H LYS 48 13.065 8.257 26.226 336 HA LYS 48 HA LYS 48 14.780 10.458 25.819 337 1HB LYS 48 2HB LYS 48 14.463 11.081 27.989 338 2HB LYS 48 1HB LYS 48 13.078 10.046 27.757 339 1HG LYS 48 2HG LYS 48 15.075 8.339 28.772 340 2HG LYS 48 1HG LYS 48 15.280 9.862 29.649 341 1HD LYS 48 2HD LYS 48 12.702 9.827 29.830 342 2HD LYS 48 1HD LYS 48 12.866 8.115 29.459 343 1HE LYS 48 2HE LYS 48 14.303 9.481 31.771 344 2HE LYS 48 1HE LYS 48 12.765 8.650 31.937 345 1HZ LYS 48 2HZ LYS 48 15.244 7.381 30.898 346 2HZ LYS 48 1HZ LYS 48 14.707 7.266 32.503 347 3HZ LYS 48 3HZ LYS 48 13.766 6.606 31.258 348 H LEU 49 H LEU 49 15.503 7.259 27.084 349 HA LEU 49 HA LEU 49 18.248 7.679 27.729 350 1HB LEU 49 2HB LEU 49 16.649 5.223 26.998 351 2HB LEU 49 1HB LEU 49 18.385 5.123 27.268 352 HG LEU 49 HG LEU 49 16.390 6.217 29.276 353 1HD1 LEU 49 3HD1 LEU 49 16.130 3.775 28.813 354 2HD1 LEU 49 2HD1 LEU 49 17.833 3.553 29.229 355 3HD1 LEU 49 1HD1 LEU 49 16.695 4.105 30.453 356 1HD2 LEU 49 3HD2 LEU 49 19.369 5.883 29.210 357 2HD2 LEU 49 2HD2 LEU 49 18.401 7.123 30.001 358 3HD2 LEU 49 1HD2 LEU 49 18.546 5.524 30.729 359 H MET 50 H MET 50 16.692 6.569 24.722 360 HA MET 50 HA MET 50 19.038 6.121 23.180 361 1HB MET 50 2HB MET 50 16.149 6.595 22.494 362 2HB MET 50 1HB MET 50 17.358 6.601 21.215 363 1HG MET 50 2HG MET 50 18.176 4.368 22.205 364 2HG MET 50 1HG MET 50 16.646 4.328 23.074 365 1HE MET 50 2HE MET 50 14.526 3.819 22.286 366 2HE MET 50 1HE MET 50 14.311 5.269 21.315 367 3HE MET 50 3HE MET 50 13.970 3.671 20.622 368 H CYS 51 H CYS 51 17.077 9.036 23.685 369 HA CYS 51 HA CYS 51 18.158 10.687 21.693 370 1HB CYS 51 2HB CYS 51 16.302 11.036 23.723 371 2HB CYS 51 1HB CYS 51 17.598 12.127 24.202 372 H ALA 52 H ALA 52 19.602 9.660 24.736 373 HA ALA 52 HA ALA 52 21.752 11.649 24.601 374 1HB ALA 52 2HB ALA 52 21.070 9.418 26.573 375 2HB ALA 52 1HB ALA 52 22.559 10.363 26.668 376 3HB ALA 52 3HB ALA 52 21.003 11.159 26.836 377 H SER 53 H SER 53 22.806 8.408 25.428 378 HA SER 53 HA SER 53 24.652 7.303 24.527 379 1HB SER 53 2HB SER 53 23.822 5.872 22.726 380 2HB SER 53 1HB SER 53 22.621 6.120 23.958 381 HG SER 53 HG SER 53 21.449 7.329 22.585 382 H THR 54 H THR 54 25.180 6.883 21.673 383 HA THR 54 HA THR 54 26.272 9.409 20.685 384 HB THR 54 HB THR 54 28.130 7.037 21.176 385 HG1 THR 54 HG1 THR 54 28.924 9.123 22.646 386 1HG2 THR 54 1HG2 THR 54 28.629 8.448 19.230 387 2HG2 THR 54 3HG2 THR 54 28.731 9.861 20.278 388 3HG2 THR 54 2HG2 THR 54 29.897 8.548 20.447 389 H ALA 55 H ALA 55 26.572 5.885 20.286 390 HA ALA 55 HA ALA 55 26.681 5.784 17.482 391 1HB ALA 55 3HB ALA 55 25.896 3.744 19.552 392 2HB ALA 55 2HB ALA 55 25.597 3.413 17.858 393 3HB ALA 55 1HB ALA 55 27.249 3.683 18.417 394 H CYS 56 H CYS 56 23.916 5.831 19.711 395 HA CYS 56 HA CYS 56 22.016 5.100 17.771 396 1HB CYS 56 2HB CYS 56 21.876 5.993 20.510 397 2HB CYS 56 1HB CYS 56 20.606 6.764 19.577 398 H ASN 57 H ASN 57 23.190 8.281 18.722 399 HA ASN 57 HA ASN 57 21.476 9.910 17.059 400 1HB ASN 57 2HB ASN 57 24.323 10.670 17.788 401 2HB ASN 57 1HB ASN 57 22.952 11.734 17.504 402 1HD2 ASN 57 2HD2 ASN 57 21.873 11.521 20.920 403 2HD2 ASN 57 1HD2 ASN 57 21.459 12.108 19.382 404 H THR 58 H THR 58 24.539 8.258 16.534 405 HA THR 58 HA THR 58 25.093 9.315 13.957 406 HB THR 58 HB THR 58 25.812 6.595 15.137 407 HG1 THR 58 HG1 THR 58 27.668 7.499 15.777 408 1HG2 THR 58 3HG2 THR 58 26.910 7.947 12.667 409 2HG2 THR 58 2HG2 THR 58 27.700 6.598 13.490 410 3HG2 THR 58 1HG2 THR 58 26.104 6.380 12.771 411 H MET 59 H MET 59 23.248 6.469 14.974 412 HA MET 59 HA MET 59 22.452 5.418 12.495 413 1HB MET 59 2HB MET 59 20.638 5.533 14.892 414 2HB MET 59 1HB MET 59 20.492 4.461 13.527 415 1HG MET 59 2HG MET 59 22.539 3.285 14.274 416 2HG MET 59 1HG MET 59 22.710 4.423 15.609 417 1HE MET 59 2HE MET 59 19.808 4.935 16.703 418 2HE MET 59 1HE MET 59 18.909 4.153 15.418 419 3HE MET 59 3HE MET 59 18.840 3.521 17.070 420 H ILE 60 H ILE 60 20.439 7.490 14.536 421 HA ILE 60 HA ILE 60 18.408 7.971 12.628 422 HB ILE 60 HB ILE 60 19.157 9.372 15.193 423 1HG1 ILE 60 2HG1 ILE 60 18.131 7.076 15.198 424 2HG1 ILE 60 1HG1 ILE 60 17.217 8.262 16.085 425 1HG2 ILE 60 2HG2 ILE 60 16.836 10.083 13.397 426 2HG2 ILE 60 1HG2 ILE 60 17.029 10.602 15.071 427 3HG2 ILE 60 3HG2 ILE 60 18.193 11.116 13.855 428 1HD1 ILE 60 3HD1 ILE 60 15.743 8.498 14.002 429 2HD1 ILE 60 2HD1 ILE 60 16.611 7.110 13.352 430 3HD1 ILE 60 1HD1 ILE 60 15.670 6.942 14.826 431 H LYS 61 H LYS 61 21.077 10.124 13.541 432 HA LYS 61 HA LYS 61 20.478 12.113 11.591 433 1HB LYS 61 2HB LYS 61 22.082 12.590 13.358 434 2HB LYS 61 1HB LYS 61 23.129 11.293 12.811 435 1HG LYS 61 2HG LYS 61 23.664 12.512 10.777 436 2HG LYS 61 1HG LYS 61 22.494 13.775 11.164 437 1HD LYS 61 2HD LYS 61 24.751 14.499 11.789 438 2HD LYS 61 1HD LYS 61 23.743 14.303 13.220 439 1HE LYS 61 2HE LYS 61 24.899 12.494 13.984 440 2HE LYS 61 1HE LYS 61 25.267 11.891 12.378 441 1HZ LYS 61 2HZ LYS 61 26.804 13.938 12.242 442 2HZ LYS 61 1HZ LYS 61 26.648 13.981 13.936 443 3HZ LYS 61 3HZ LYS 61 27.303 12.617 13.187 444 H LYS 62 H LYS 62 22.214 9.062 11.265 445 HA LYS 62 HA LYS 62 23.272 9.483 8.652 446 1HB LYS 62 2HB LYS 62 22.772 7.074 10.346 447 2HB LYS 62 1HB LYS 62 22.963 6.808 8.622 448 1HG LYS 62 2HG LYS 62 25.127 7.871 8.624 449 2HG LYS 62 1HG LYS 62 24.934 8.368 10.308 450 1HD LYS 62 2HD LYS 62 24.884 6.060 11.054 451 2HD LYS 62 1HD LYS 62 24.934 5.474 9.398 452 1HE LYS 62 2HE LYS 62 27.122 7.214 10.554 453 2HE LYS 62 1HE LYS 62 27.160 5.458 10.668 454 1HZ LYS 62 2HZ LYS 62 26.894 5.412 8.202 455 2HZ LYS 62 1HZ LYS 62 27.103 7.099 8.202 456 3HZ LYS 62 3HZ LYS 62 28.362 6.099 8.733 457 H ILE 63 H ILE 63 20.339 7.802 9.708 458 HA ILE 63 HA ILE 63 19.352 7.268 7.087 459 HB ILE 63 HB ILE 63 17.662 7.579 9.584 460 1HG1 ILE 63 2HG1 ILE 63 19.396 5.902 10.019 461 2HG1 ILE 63 1HG1 ILE 63 17.824 5.143 9.865 462 1HG2 ILE 63 2HG2 ILE 63 17.141 6.122 6.986 463 2HG2 ILE 63 1HG2 ILE 63 16.184 5.902 8.452 464 3HG2 ILE 63 3HG2 ILE 63 16.240 7.478 7.666 465 1HD1 ILE 63 3HD1 ILE 63 18.802 5.036 7.283 466 2HD1 ILE 63 2HD1 ILE 63 20.254 4.805 8.253 467 3HD1 ILE 63 1HD1 ILE 63 18.875 3.718 8.453 468 H VAL 64 H VAL 64 18.810 10.070 9.236 469 HA VAL 64 HA VAL 64 16.883 11.349 7.558 470 HB VAL 64 HB VAL 64 18.762 12.562 9.595 471 1HG1 VAL 64 1HG1 VAL 64 16.645 13.706 7.906 472 2HG1 VAL 64 3HG1 VAL 64 16.428 14.041 9.623 473 3HG1 VAL 64 2HG1 VAL 64 17.918 14.514 8.814 474 1HG2 VAL 64 2HG2 VAL 64 16.938 10.650 10.144 475 2HG2 VAL 64 1HG2 VAL 64 17.315 11.958 11.259 476 3HG2 VAL 64 3HG2 VAL 64 15.892 12.069 10.221 477 H THR 65 H THR 65 20.367 11.908 7.898 478 HA THR 65 HA THR 65 20.707 13.906 5.969 479 HB THR 65 HB THR 65 23.031 13.104 5.807 480 HG1 THR 65 HG1 THR 65 22.124 10.893 7.159 481 1HG2 THR 65 2HG2 THR 65 21.905 13.679 8.527 482 2HG2 THR 65 1HG2 THR 65 23.637 13.580 8.206 483 3HG2 THR 65 3HG2 THR 65 22.656 14.781 7.382 484 H LEU 66 H LEU 66 20.824 10.393 5.570 485 HA LEU 66 HA LEU 66 21.390 10.535 2.758 486 1HB LEU 66 2HB LEU 66 21.685 8.276 2.847 487 2HB LEU 66 1HB LEU 66 21.849 8.635 4.540 488 HG LEU 66 HG LEU 66 19.257 8.022 4.601 489 1HD1 LEU 66 3HD1 LEU 66 20.023 7.419 1.859 490 2HD1 LEU 66 2HD1 LEU 66 19.471 5.967 2.687 491 3HD1 LEU 66 1HD1 LEU 66 18.428 7.380 2.595 492 1HD2 LEU 66 3HD2 LEU 66 21.661 6.206 4.385 493 2HD2 LEU 66 2HD2 LEU 66 20.762 6.689 5.824 494 3HD2 LEU 66 1HD2 LEU 66 20.049 5.559 4.676 495 H ASN 67 H ASN 67 18.416 10.297 4.592 496 HA ASN 67 HA ASN 67 16.237 10.428 4.072 497 1HB ASN 67 2HB ASN 67 17.106 12.623 3.486 498 2HB ASN 67 1HB ASN 67 17.297 12.112 1.818 499 1HD2 ASN 67 2HD2 ASN 67 13.984 12.898 1.028 500 2HD2 ASN 67 1HD2 ASN 67 15.569 12.641 0.490 501 HA PRO 68 HA PRO 68 15.719 7.101 0.987 502 1HB PRO 68 2HB PRO 68 14.022 5.634 2.519 503 2HB PRO 68 1HB PRO 68 15.791 5.586 2.664 504 1HG PRO 68 2HG PRO 68 13.814 6.779 4.509 505 2HG PRO 68 1HG PRO 68 15.475 6.246 4.824 506 1HD PRO 68 2HD PRO 68 14.574 8.917 4.420 507 2HD PRO 68 1HD PRO 68 16.244 8.364 4.634 508 HA PRO 69 HA PRO 69 11.749 8.258 -0.774 509 1HB PRO 69 2HB PRO 69 10.921 5.964 -1.987 510 2HB PRO 69 1HB PRO 69 12.267 6.958 -2.585 511 1HG PRO 69 2HG PRO 69 12.350 4.356 -1.161 512 2HG PRO 69 1HG PRO 69 13.496 5.040 -2.335 513 1HD PRO 69 2HD PRO 69 13.853 4.978 0.435 514 2HD PRO 69 1HD PRO 69 14.776 5.976 -0.713 515 H ASN 70 H ASN 70 9.682 8.526 0.025 516 HA ASN 70 HA ASN 70 8.739 7.176 2.333 517 1HB ASN 70 2HB ASN 70 8.062 9.469 1.828 518 2HB ASN 70 1HB ASN 70 7.183 8.925 0.402 519 1HD2 ASN 70 2HD2 ASN 70 4.314 8.015 2.262 520 2HD2 ASN 70 1HD2 ASN 70 5.015 8.187 0.729 521 H CYS 71 H CYS 71 8.131 5.202 2.468 522 HA CYS 71 HA CYS 71 5.898 4.052 1.118 523 1HB CYS 71 2HB CYS 71 6.879 2.397 -0.278 524 2HB CYS 71 1HB CYS 71 7.657 3.904 -0.710 525 H ASP 72 H ASP 72 5.751 1.591 1.666 526 HA ASP 72 HA ASP 72 6.402 1.353 4.498 527 1HB ASP 72 2HB ASP 72 4.207 0.502 2.892 528 2HB ASP 72 1HB ASP 72 4.871 -0.876 3.738 529 H LEU 73 H LEU 73 7.958 0.137 5.364 530 HA LEU 73 HA LEU 73 9.172 -2.021 3.735 531 1HB LEU 73 2HB LEU 73 10.319 0.168 5.242 532 2HB LEU 73 1HB LEU 73 10.924 -1.353 5.862 533 HG LEU 73 HG LEU 73 12.388 -0.468 4.139 534 1HD1 LEU 73 2HD1 LEU 73 11.045 -3.047 3.793 535 2HD1 LEU 73 1HD1 LEU 73 11.824 -2.447 2.335 536 3HD1 LEU 73 3HD1 LEU 73 12.762 -2.644 3.812 537 1HD2 LEU 73 1HD2 LEU 73 10.126 0.485 2.919 538 2HD2 LEU 73 3HD2 LEU 73 11.717 0.403 2.157 539 3HD2 LEU 73 2HD2 LEU 73 10.545 -0.882 1.886 540 H THR 74 H THR 74 8.277 -3.889 4.296 541 HA THR 74 HA THR 74 7.274 -4.567 6.894 542 HB THR 74 HB THR 74 7.112 -6.889 5.759 543 HG1 THR 74 HG1 THR 74 8.366 -6.731 3.978 544 1HG2 THR 74 1HG2 THR 74 5.635 -4.434 4.836 545 2HG2 THR 74 3HG2 THR 74 5.123 -6.079 4.463 546 3HG2 THR 74 2HG2 THR 74 5.189 -5.537 6.138 547 H VAL 75 H VAL 75 8.015 -6.041 8.421 548 HA VAL 75 HA VAL 75 10.912 -6.530 8.447 549 HB VAL 75 HB VAL 75 8.951 -7.080 10.700 550 1HG1 VAL 75 2HG1 VAL 75 11.221 -8.098 10.914 551 2HG1 VAL 75 1HG1 VAL 75 11.929 -6.499 10.723 552 3HG1 VAL 75 3HG1 VAL 75 10.935 -6.856 12.129 553 1HG2 VAL 75 2HG2 VAL 75 10.416 -4.541 9.944 554 2HG2 VAL 75 1HG2 VAL 75 8.688 -4.750 10.211 555 3HG2 VAL 75 3HG2 VAL 75 9.804 -4.824 11.577 556 HA PRO 76 HA PRO 76 10.005 -10.819 7.267 557 1HB PRO 76 2HB PRO 76 12.577 -11.552 6.796 558 2HB PRO 76 1HB PRO 76 11.594 -10.590 5.682 559 1HG PRO 76 2HG PRO 76 13.857 -9.739 7.366 560 2HG PRO 76 1HG PRO 76 13.202 -8.992 5.900 561 1HD PRO 76 2HD PRO 76 12.746 -8.158 8.589 562 2HD PRO 76 1HD PRO 76 12.000 -7.508 7.114 563 H THR 77 H THR 77 10.431 -10.179 10.261 564 HA THR 77 HA THR 77 10.995 -12.909 11.093 565 HB THR 77 HB THR 77 13.198 -11.922 11.086 566 HG1 THR 77 HG1 THR 77 13.122 -13.344 12.651 567 1HG2 THR 77 1HG2 THR 77 11.929 -9.667 12.504 568 2HG2 THR 77 3HG2 THR 77 13.469 -10.199 13.167 569 3HG2 THR 77 2HG2 THR 77 13.358 -9.709 11.483 570 H SER 78 H SER 78 10.012 -9.655 12.232 571 HA SER 78 HA SER 78 8.802 -10.705 14.632 572 1HB SER 78 2HB SER 78 7.949 -8.407 14.957 573 2HB SER 78 1HB SER 78 9.672 -8.454 14.662 574 HG SER 78 HG SER 78 8.889 -6.879 13.308 575 H GLY 79 H GLY 79 7.499 -9.549 11.559 576 1HA GLY 79 2HA GLY 79 5.562 -10.750 10.575 577 2HA GLY 79 1HA GLY 79 4.915 -10.888 12.204 578 H LEU 80 H LEU 80 6.268 -7.773 11.833 579 HA LEU 80 HA LEU 80 3.668 -6.589 11.108 580 1HB LEU 80 2HB LEU 80 4.854 -6.428 13.578 581 2HB LEU 80 1HB LEU 80 5.455 -4.968 12.808 582 HG LEU 80 HG LEU 80 2.751 -5.042 12.093 583 1HD1 LEU 80 3HD1 LEU 80 3.129 -5.932 14.953 584 2HD1 LEU 80 2HD1 LEU 80 1.670 -5.127 14.390 585 3HD1 LEU 80 1HD1 LEU 80 2.131 -6.686 13.708 586 1HD2 LEU 80 2HD2 LEU 80 4.236 -3.084 12.800 587 2HD2 LEU 80 1HD2 LEU 80 2.578 -3.048 13.399 588 3HD2 LEU 80 3HD2 LEU 80 3.885 -3.542 14.471 589 H VAL 81 H VAL 81 3.898 -4.293 10.352 590 HA VAL 81 HA VAL 81 6.020 -3.985 8.347 591 HB VAL 81 HB VAL 81 3.570 -4.007 7.847 592 1HG1 VAL 81 1HG1 VAL 81 3.573 -1.332 9.234 593 2HG1 VAL 81 3HG1 VAL 81 2.293 -1.892 8.158 594 3HG1 VAL 81 2HG1 VAL 81 2.628 -2.761 9.652 595 1HG2 VAL 81 2HG2 VAL 81 5.440 -2.830 6.448 596 2HG2 VAL 81 1HG2 VAL 81 3.751 -2.509 6.057 597 3HG2 VAL 81 3HG2 VAL 81 4.672 -1.342 7.002 598 H LEU 82 H LEU 82 7.130 -1.932 8.076 599 HA LEU 82 HA LEU 82 6.983 0.005 10.292 600 1HB LEU 82 2HB LEU 82 8.642 -1.651 10.989 601 2HB LEU 82 1HB LEU 82 9.523 -1.414 9.487 602 HG LEU 82 HG LEU 82 9.717 1.066 10.210 603 1HD1 LEU 82 3HD1 LEU 82 7.990 0.853 12.048 604 2HD1 LEU 82 2HD1 LEU 82 9.140 -0.149 12.925 605 3HD1 LEU 82 1HD1 LEU 82 9.529 1.534 12.570 606 1HD2 LEU 82 3HD2 LEU 82 11.107 -1.110 11.807 607 2HD2 LEU 82 2HD2 LEU 82 11.606 -0.496 10.227 608 3HD2 LEU 82 1HD2 LEU 82 11.664 0.554 11.638 609 H ASN 83 H ASN 83 6.962 2.006 9.488 610 HA ASN 83 HA ASN 83 7.816 2.549 6.725 611 1HB ASN 83 2HB ASN 83 5.624 3.445 7.948 612 2HB ASN 83 1HB ASN 83 6.707 4.684 8.554 613 1HD2 ASN 83 2HD2 ASN 83 5.450 4.810 4.705 614 2HD2 ASN 83 1HD2 ASN 83 4.940 3.575 5.745 615 H VAL 84 H VAL 84 9.999 2.463 6.801 616 HA VAL 84 HA VAL 84 11.738 3.510 8.735 617 HB VAL 84 HB VAL 84 12.359 3.112 5.789 618 1HG1 VAL 84 1HG1 VAL 84 14.167 3.237 8.224 619 2HG1 VAL 84 3HG1 VAL 84 14.693 2.786 6.604 620 3HG1 VAL 84 2HG1 VAL 84 14.106 4.417 6.915 621 1HG2 VAL 84 2HG2 VAL 84 12.576 1.236 8.172 622 2HG2 VAL 84 1HG2 VAL 84 11.543 1.027 6.762 623 3HG2 VAL 84 3HG2 VAL 84 13.293 0.911 6.599 624 H TYR 85 H TYR 85 10.395 5.185 5.940 625 HA TYR 85 HA TYR 85 11.978 7.534 6.003 626 1HB TYR 85 2HB TYR 85 10.413 6.973 4.156 627 2HB TYR 85 1HB TYR 85 9.041 7.292 5.171 628 HD1 TYR 85 HD2 TYR 85 12.300 9.043 4.411 629 HD2 TYR 85 HD1 TYR 85 8.037 9.387 4.806 630 HE1 TYR 85 HE2 TYR 85 12.444 11.449 3.868 631 HE2 TYR 85 HE1 TYR 85 8.183 11.792 4.261 632 HH TYR 85 HH TYR 85 9.608 13.471 3.413 633 H SER 86 H SER 86 8.710 7.114 7.281 634 HA SER 86 HA SER 86 8.615 9.493 8.857 635 1HB SER 86 2HB SER 86 6.669 7.873 8.153 636 2HB SER 86 1HB SER 86 7.066 7.020 9.633 637 HG SER 86 HG SER 86 6.520 8.898 10.780 638 H TYR 87 H TYR 87 9.860 6.319 9.667 639 HA TYR 87 HA TYR 87 10.086 6.441 12.447 640 1HB TYR 87 2HB TYR 87 10.636 4.402 11.563 641 2HB TYR 87 1HB TYR 87 11.486 5.082 10.221 642 HD1 TYR 87 HD1 TYR 87 11.974 5.367 13.948 643 HD2 TYR 87 HD2 TYR 87 13.566 4.189 10.136 644 HE1 TYR 87 HE1 TYR 87 14.135 4.788 15.036 645 HE2 TYR 87 HE2 TYR 87 15.734 3.607 11.228 646 HH TYR 87 HH TYR 87 16.226 2.923 14.096 647 H ALA 88 H ALA 88 12.831 7.036 10.304 648 HA ALA 88 HA ALA 88 14.494 8.317 12.211 649 1HB ALA 88 2HB ALA 88 15.268 7.049 10.317 650 2HB ALA 88 1HB ALA 88 14.635 8.264 9.202 651 3HB ALA 88 3HB ALA 88 15.966 8.663 10.295 652 H ASN 89 H ASN 89 12.551 9.746 9.636 653 HA ASN 89 HA ASN 89 13.367 12.452 9.998 654 1HB ASN 89 2HB ASN 89 11.218 11.034 8.544 655 2HB ASN 89 1HB ASN 89 10.776 12.652 9.062 656 1HD2 ASN 89 2HD2 ASN 89 13.549 12.284 6.106 657 2HD2 ASN 89 1HD2 ASN 89 13.001 10.874 6.878 658 H GLY 90 H GLY 90 10.665 10.610 11.423 659 1HA GLY 90 2HA GLY 90 9.578 12.751 13.002 660 2HA GLY 90 1HA GLY 90 9.156 11.049 13.079 661 H PHE 91 H PHE 91 12.091 10.370 13.697 662 HA PHE 91 HA PHE 91 12.047 10.031 16.413 663 1HB PHE 91 2HB PHE 91 13.835 9.279 14.676 664 2HB PHE 91 1HB PHE 91 14.691 10.727 15.138 665 HD1 PHE 91 HD1 PHE 91 13.459 7.451 16.296 666 HD2 PHE 91 HD2 PHE 91 15.641 10.984 17.384 667 HE1 PHE 91 HE1 PHE 91 14.309 6.303 18.316 668 HE2 PHE 91 HE2 PHE 91 16.493 9.833 19.417 669 HZ PHE 91 HZ PHE 91 15.822 7.489 19.878 670 H SER 92 H SER 92 13.639 12.822 14.855 671 HA SER 92 HA SER 92 14.421 14.145 17.230 672 1HB SER 92 2HB SER 92 15.114 15.900 15.929 673 2HB SER 92 1HB SER 92 14.942 14.701 14.682 674 HG SER 92 HG SER 92 13.273 15.849 13.899 675 H ASN 93 H ASN 93 11.339 14.537 15.480 676 HA ASN 93 HA ASN 93 10.200 16.554 17.091 677 1HB ASN 93 2HB ASN 93 9.004 14.406 15.357 678 2HB ASN 93 1HB ASN 93 7.955 15.403 16.355 679 1HD2 ASN 93 2HD2 ASN 93 8.842 18.423 14.480 680 2HD2 ASN 93 1HD2 ASN 93 8.589 17.967 16.095 681 H LYS 94 H LYS 94 9.998 13.014 17.342 682 HA LYS 94 HA LYS 94 8.373 12.970 19.689 683 1HB LYS 94 2HB LYS 94 9.499 10.976 18.041 684 2HB LYS 94 1HB LYS 94 10.286 10.731 19.588 685 1HG LYS 94 2HG LYS 94 8.319 9.384 19.651 686 2HG LYS 94 1HG LYS 94 7.990 10.780 20.659 687 1HD LYS 94 2HD LYS 94 6.029 10.627 19.425 688 2HD LYS 94 1HD LYS 94 6.934 11.793 18.485 689 1HE LYS 94 2HE LYS 94 6.454 10.413 16.730 690 2HE LYS 94 1HE LYS 94 7.807 9.479 17.341 691 1HZ LYS 94 2HZ LYS 94 4.959 8.997 18.113 692 2HZ LYS 94 1HZ LYS 94 5.799 8.163 16.892 693 3HZ LYS 94 3HZ LYS 94 6.319 8.039 18.489 694 H CYS 95 H CYS 95 11.894 12.964 19.273 695 HA CYS 95 HA CYS 95 12.583 12.922 22.035 696 1HB CYS 95 2HB CYS 95 14.023 13.237 19.526 697 2HB CYS 95 1HB CYS 95 14.669 14.300 20.757 698 H SER 96 H SER 96 11.766 15.641 19.930 699 HA SER 96 HA SER 96 12.674 17.717 21.712 700 1HB SER 96 2HB SER 96 12.159 17.817 19.105 701 2HB SER 96 1HB SER 96 10.541 18.218 19.657 702 HG SER 96 HG SER 96 11.531 20.164 19.627 703 H SER 97 H SER 97 9.498 16.358 20.954 704 HA SER 97 HA SER 97 8.182 17.864 23.130 705 1HB SER 97 2HB SER 97 6.944 15.828 21.252 706 2HB SER 97 1HB SER 97 6.110 16.957 22.288 707 HG SER 97 HG SER 97 7.429 17.336 19.859 708 H LEU 98 HN LEU 98 9.865 14.937 23.005 709 HA LEU 98 HA LEU 98 8.621 12.939 24.296 710 1HB LEU 98 2HB LEU 98 11.229 13.570 23.753 711 2HB LEU 98 1HB LEU 98 11.224 13.555 25.503 712 HG LEU 98 HG LEU 98 10.148 11.270 23.837 713 1HD1 LEU 98 1HD1 LEU 98 12.895 12.177 24.340 714 2HD1 LEU 98 3HD1 LEU 98 12.617 10.532 24.898 715 3HD1 LEU 98 2HD1 LEU 98 12.308 10.953 23.221 716 1HD2 LEU 98 1HD2 LEU 98 10.814 11.789 26.729 717 2HD2 LEU 98 3HD2 LEU 98 9.405 10.980 26.062 718 3HD2 LEU 98 2HD2 LEU 98 10.953 10.142 26.117 No H/Q in entry = 718 Start of MODEL 6 1 1H THR 1 3H THR 1 5.078 -4.182 -0.411 2 2H THR 1 2H THR 1 5.104 -3.806 1.249 3 3H THR 1 1H THR 1 4.600 -5.340 0.731 4 HA THR 1 HA THR 1 2.600 -4.585 -0.081 5 HB THR 1 HB THR 1 1.715 -2.974 1.751 6 HG1 THR 1 HG1 THR 1 3.088 -2.297 3.221 7 1HG2 THR 1 3HG2 THR 1 3.045 -5.593 2.493 8 2HG2 THR 1 2HG2 THR 1 1.770 -4.797 3.418 9 3HG2 THR 1 1HG2 THR 1 1.437 -5.403 1.802 10 H ALA 2 H ALA 2 4.277 -1.567 0.885 11 HA ALA 2 HA ALA 2 2.913 -0.103 -1.278 12 1HB ALA 2 1HB ALA 2 4.232 0.664 1.290 13 2HB ALA 2 3HB ALA 2 4.285 1.838 -0.027 14 3HB ALA 2 2HB ALA 2 2.736 1.246 0.565 15 H CYS 3 H CYS 3 6.326 -0.312 -0.080 16 HA CYS 3 HA CYS 3 7.340 0.789 -2.549 17 1HB CYS 3 2HB CYS 3 9.419 -0.832 -1.321 18 2HB CYS 3 1HB CYS 3 9.387 0.881 -1.619 19 H THR 4 H THR 4 8.514 -0.266 -4.254 20 HA THR 4 HA THR 4 8.322 -3.194 -4.421 21 HB THR 4 HB THR 4 7.190 -1.209 -6.409 22 HG1 THR 4 HG1 THR 4 6.027 -2.987 -4.585 23 1HG2 THR 4 1HG2 THR 4 8.344 -2.999 -7.587 24 2HG2 THR 4 3HG2 THR 4 7.408 -4.197 -6.682 25 3HG2 THR 4 2HG2 THR 4 6.593 -3.092 -7.810 26 H ALA 5 H ALA 5 9.925 -4.122 -5.544 27 HA ALA 5 HA ALA 5 12.072 -4.460 -6.145 28 1HB ALA 5 3HB ALA 5 10.959 -2.694 -8.320 29 2HB ALA 5 2HB ALA 5 12.508 -3.528 -8.489 30 3HB ALA 5 1HB ALA 5 11.024 -4.458 -8.277 31 H THR 6 H THR 6 12.483 -1.275 -7.591 32 HA THR 6 HA THR 6 14.943 -0.803 -6.339 33 HB THR 6 HB THR 6 14.329 0.192 -8.486 34 HG1 THR 6 HG1 THR 6 15.647 1.748 -8.113 35 1HG2 THR 6 2HG2 THR 6 11.932 0.825 -7.713 36 2HG2 THR 6 1HG2 THR 6 12.693 2.314 -7.122 37 3HG2 THR 6 3HG2 THR 6 12.780 1.884 -8.832 38 H GLN 7 H GLN 7 11.829 0.783 -5.548 39 HA GLN 7 HA GLN 7 12.730 2.341 -3.408 40 1HB GLN 7 2HB GLN 7 10.009 1.140 -3.928 41 2HB GLN 7 1HB GLN 7 10.317 2.269 -2.609 42 1HG GLN 7 2HG GLN 7 11.213 3.867 -4.326 43 2HG GLN 7 1HG GLN 7 10.643 2.744 -5.553 44 1HE2 GLN 7 2HE2 GLN 7 7.811 4.812 -3.412 45 2HE2 GLN 7 1HE2 GLN 7 9.336 4.609 -2.701 46 H GLN 8 H GLN 8 11.550 -0.981 -3.321 47 HA GLN 8 HA GLN 8 11.737 -1.328 -0.467 48 1HB GLN 8 2HB GLN 8 10.305 -2.742 -2.030 49 2HB GLN 8 1HB GLN 8 11.789 -3.514 -2.583 50 1HG GLN 8 2HG GLN 8 12.268 -4.266 -0.276 51 2HG GLN 8 1HG GLN 8 10.787 -3.496 0.294 52 1HE2 GLN 8 2HE2 GLN 8 8.666 -6.047 -1.004 53 2HE2 GLN 8 1HE2 GLN 8 8.710 -4.483 -0.361 54 H THR 9 H THR 9 13.880 -2.365 -3.094 55 HA THR 9 HA THR 9 15.855 -3.355 -1.276 56 HB THR 9 HB THR 9 15.746 -4.035 -3.711 57 HG1 THR 9 HG1 THR 9 17.653 -4.724 -3.096 58 1HG2 THR 9 3HG2 THR 9 15.599 -1.754 -4.676 59 2HG2 THR 9 2HG2 THR 9 17.242 -1.444 -4.116 60 3HG2 THR 9 1HG2 THR 9 16.950 -2.672 -5.352 61 H ALA 10 H ALA 10 15.075 -0.117 -2.230 62 HA ALA 10 HA ALA 10 17.619 1.124 -1.697 63 1HB ALA 10 2HB ALA 10 14.993 2.014 -2.506 64 2HB ALA 10 1HB ALA 10 15.392 2.862 -1.026 65 3HB ALA 10 3HB ALA 10 16.447 2.995 -2.424 66 H ALA 11 H ALA 11 14.611 0.613 0.084 67 HA ALA 11 HA ALA 11 15.376 1.521 2.666 68 1HB ALA 11 2HB ALA 11 13.514 -0.806 1.980 69 2HB ALA 11 1HB ALA 11 13.634 -0.048 3.563 70 3HB ALA 11 3HB ALA 11 13.014 0.875 2.195 71 H TYR 12 H TYR 12 15.696 -1.642 1.121 72 HA TYR 12 HA TYR 12 16.919 -3.094 3.216 73 1HB TYR 12 2HB TYR 12 17.267 -3.388 0.194 74 2HB TYR 12 1HB TYR 12 18.011 -4.451 1.362 75 HD1 TYR 12 HD1 TYR 12 14.985 -3.726 2.889 76 HD2 TYR 12 HD2 TYR 12 16.552 -5.788 -0.532 77 HE1 TYR 12 HE1 TYR 12 12.992 -5.151 2.856 78 HE2 TYR 12 HE2 TYR 12 14.554 -7.229 -0.578 79 HH TYR 12 HH TYR 12 12.641 -7.818 1.739 80 H LYS 13 H LYS 13 18.709 -1.752 0.402 81 HA LYS 13 HA LYS 13 21.280 -1.912 1.086 82 1HB LYS 13 2HB LYS 13 20.246 -0.681 -0.923 83 2HB LYS 13 1HB LYS 13 20.263 0.756 0.088 84 1HG LYS 13 2HG LYS 13 22.697 0.540 0.378 85 2HG LYS 13 1HG LYS 13 22.688 -0.944 -0.551 86 1HD LYS 13 2HD LYS 13 23.170 0.338 -2.323 87 2HD LYS 13 1HD LYS 13 21.501 0.864 -2.303 88 1HE LYS 13 2HE LYS 13 23.699 2.253 -0.737 89 2HE LYS 13 1HE LYS 13 23.280 2.684 -2.382 90 1HZ LYS 13 3HZ LYS 13 20.859 2.740 -1.219 91 2HZ LYS 13 2HZ LYS 13 21.849 3.195 0.089 92 3HZ LYS 13 1HZ LYS 13 21.877 4.087 -1.351 93 H THR 14 H THR 14 19.204 0.691 2.423 94 HA THR 14 HA THR 14 21.299 1.834 4.042 95 HB THR 14 HB THR 14 18.310 2.069 4.561 96 HG1 THR 14 HG1 THR 14 18.132 2.875 2.655 97 1HG2 THR 14 1HG2 THR 14 20.556 3.455 5.656 98 2HG2 THR 14 3HG2 THR 14 19.632 4.592 4.671 99 3HG2 THR 14 2HG2 THR 14 18.842 3.701 5.956 100 H LEU 15 H LEU 15 18.404 0.171 5.274 101 HA LEU 15 HA LEU 15 19.276 -0.475 7.845 102 1HB LEU 15 2HB LEU 15 16.992 -0.612 7.387 103 2HB LEU 15 1HB LEU 15 17.231 -1.549 5.937 104 HG LEU 15 HG LEU 15 18.129 -3.237 8.005 105 1HD1 LEU 15 3HD1 LEU 15 15.595 -1.761 8.797 106 2HD1 LEU 15 2HD1 LEU 15 16.208 -3.213 9.589 107 3HD1 LEU 15 1HD1 LEU 15 17.126 -1.711 9.666 108 1HD2 LEU 15 3HD2 LEU 15 15.518 -2.976 6.487 109 2HD2 LEU 15 2HD2 LEU 15 16.898 -3.992 6.075 110 3HD2 LEU 15 1HD2 LEU 15 15.910 -4.374 7.486 111 H VAL 16 H VAL 16 19.150 -2.834 5.195 112 HA VAL 16 HA VAL 16 20.539 -4.961 6.273 113 HB VAL 16 HB VAL 16 20.313 -4.005 3.400 114 1HG1 VAL 16 2HG1 VAL 16 21.370 -6.651 4.395 115 2HG1 VAL 16 1HG1 VAL 16 20.857 -6.314 2.734 116 3HG1 VAL 16 3HG1 VAL 16 22.238 -5.452 3.417 117 1HG2 VAL 16 3HG2 VAL 16 18.887 -6.083 5.058 118 2HG2 VAL 16 2HG2 VAL 16 18.192 -4.640 4.317 119 3HG2 VAL 16 1HG2 VAL 16 18.737 -5.976 3.307 120 H SER 17 H SER 17 22.009 -2.137 4.565 121 HA SER 17 HA SER 17 24.698 -3.011 4.557 122 1HB SER 17 2HB SER 17 24.136 -0.991 3.337 123 2HB SER 17 1HB SER 17 23.524 -0.216 4.778 124 HG SER 17 HG SER 17 25.519 0.598 4.545 125 H ILE 18 H ILE 18 22.762 -1.443 7.119 126 HA ILE 18 HA ILE 18 25.095 -1.460 8.913 127 HB ILE 18 HB ILE 18 22.185 -1.020 9.703 128 1HG1 ILE 18 2HG1 ILE 18 24.355 1.021 9.073 129 2HG1 ILE 18 1HG1 ILE 18 22.893 0.730 8.118 130 1HG2 ILE 18 2HG2 ILE 18 24.013 -1.649 11.480 131 2HG2 ILE 18 1HG2 ILE 18 24.610 -0.012 11.199 132 3HG2 ILE 18 3HG2 ILE 18 22.969 -0.259 11.778 133 1HD1 ILE 18 1HD1 ILE 18 21.558 1.276 10.192 134 2HD1 ILE 18 3HD1 ILE 18 23.067 1.803 10.937 135 3HD1 ILE 18 2HD1 ILE 18 22.456 2.638 9.506 136 H LEU 19 H LEU 19 22.315 -2.824 10.573 137 HA LEU 19 HA LEU 19 21.842 -4.743 11.506 138 1HB LEU 19 2HB LEU 19 23.273 -6.145 9.247 139 2HB LEU 19 1HB LEU 19 22.123 -6.852 10.368 140 HG LEU 19 HG LEU 19 21.566 -4.758 8.247 141 1HD1 LEU 19 1HD1 LEU 19 20.793 -7.657 8.618 142 2HD1 LEU 19 3HD1 LEU 19 19.949 -6.586 7.504 143 3HD1 LEU 19 2HD1 LEU 19 21.662 -6.926 7.268 144 1HD2 LEU 19 3HD2 LEU 19 19.678 -5.959 10.314 145 2HD2 LEU 19 2HD2 LEU 19 20.145 -4.260 10.193 146 3HD2 LEU 19 1HD2 LEU 19 19.177 -5.000 8.923 147 H SER 20 H SER 20 25.274 -4.728 10.584 148 HA SER 20 HA SER 20 25.952 -5.758 13.272 149 1HB SER 20 2HB SER 20 25.942 -7.492 11.339 150 2HB SER 20 1HB SER 20 27.357 -6.640 10.743 151 HG SER 20 HG SER 20 28.322 -7.953 12.117 152 H ASP 21 H ASP 21 25.890 -3.038 12.544 153 HA ASP 21 HA ASP 21 28.729 -2.277 12.092 154 1HB ASP 21 2HB ASP 21 26.521 -1.358 10.850 155 2HB ASP 21 1HB ASP 21 26.599 -0.215 12.176 156 H ALA 22 H ALA 22 29.656 -0.668 13.363 157 HA ALA 22 HA ALA 22 29.488 -0.965 16.148 158 1HB ALA 22 2HB ALA 22 30.636 1.315 14.526 159 2HB ALA 22 1HB ALA 22 30.844 1.158 16.269 160 3HB ALA 22 3HB ALA 22 31.507 -0.066 15.186 161 H SER 23 H SER 23 27.815 1.383 14.108 162 HA SER 23 HA SER 23 26.838 3.045 16.213 163 1HB SER 23 2HB SER 23 26.890 3.226 13.469 164 2HB SER 23 1HB SER 23 25.188 2.964 13.781 165 HG SER 23 HG SER 23 25.892 5.214 13.864 166 H PHE 24 H PHE 24 25.021 0.586 14.297 167 HA PHE 24 HA PHE 24 22.740 0.692 16.029 168 1HB PHE 24 2HB PHE 24 22.114 0.012 13.907 169 2HB PHE 24 1HB PHE 24 23.533 -0.904 13.617 170 HD1 PHE 24 HD2 PHE 24 20.158 -0.921 15.115 171 HD2 PHE 24 HD1 PHE 24 23.640 -3.292 14.263 172 HE1 PHE 24 HE2 PHE 24 18.868 -2.984 15.590 173 HE2 PHE 24 HE1 PHE 24 22.345 -5.342 14.742 174 HZ PHE 24 HZ PHE 24 19.969 -5.201 15.403 175 H ASN 25 H ASN 25 25.639 -1.284 16.108 176 HA ASN 25 HA ASN 25 24.746 -3.234 17.992 177 1HB ASN 25 2HB ASN 25 27.104 -2.938 16.681 178 2HB ASN 25 1HB ASN 25 27.551 -2.225 18.225 179 1HD2 ASN 25 2HD2 ASN 25 27.505 -5.363 19.950 180 2HD2 ASN 25 1HD2 ASN 25 27.616 -3.679 20.149 181 H GLN 26 H GLN 26 26.334 -0.089 18.314 182 HA GLN 26 HA GLN 26 26.583 0.019 21.087 183 1HB GLN 26 2HB GLN 26 26.295 2.283 19.120 184 2HB GLN 26 1HB GLN 26 26.420 2.564 20.845 185 1HG GLN 26 2HG GLN 26 28.472 0.862 19.466 186 2HG GLN 26 1HG GLN 26 28.543 2.609 19.333 187 1HE2 GLN 26 2HE2 GLN 26 30.250 1.050 22.499 188 2HE2 GLN 26 1HE2 GLN 26 30.061 0.299 20.989 189 H CYS 27 H CYS 27 23.999 1.601 19.211 190 HA CYS 27 HA CYS 27 22.396 2.507 21.339 191 1HB CYS 27 2HB CYS 27 22.109 2.918 18.841 192 2HB CYS 27 1HB CYS 27 21.289 1.398 18.743 193 H SER 28 H SER 28 22.068 -0.559 19.599 194 HA SER 28 HA SER 28 20.080 -1.812 21.182 195 1HB SER 28 2HB SER 28 22.357 -2.993 19.530 196 2HB SER 28 1HB SER 28 21.121 -3.974 20.283 197 HG SER 28 HG SER 28 21.014 -2.461 18.006 198 H THR 29 H THR 29 23.577 -1.634 21.614 199 HA THR 29 HA THR 29 23.849 -3.386 23.854 200 HB THR 29 HB THR 29 25.550 -1.406 22.422 201 HG1 THR 29 HG1 THR 29 25.938 -4.050 23.305 202 1HG2 THR 29 1HG2 THR 29 26.354 -2.379 25.176 203 2HG2 THR 29 3HG2 THR 29 27.418 -1.585 24.011 204 3HG2 THR 29 2HG2 THR 29 26.058 -0.705 24.703 205 H ASP 30 H ASP 30 22.911 -0.006 23.582 206 HA ASP 30 HA ASP 30 23.348 0.664 26.356 207 1HB ASP 30 2HB ASP 30 21.720 1.913 24.120 208 2HB ASP 30 1HB ASP 30 21.603 2.524 25.766 209 H SER 31 H SER 31 20.684 -0.566 24.412 210 HA SER 31 HA SER 31 19.060 -2.025 24.969 211 1HB SER 31 2HB SER 31 20.391 -2.606 27.059 212 2HB SER 31 1HB SER 31 19.337 -1.494 27.917 213 HG SER 31 HG SER 31 18.873 -4.018 27.129 214 H GLY 32 H GLY 32 17.877 -0.601 23.846 215 1HA GLY 32 2HA GLY 32 15.710 0.721 25.404 216 2HA GLY 32 1HA GLY 32 16.464 1.574 24.058 217 H TYR 33 H TYR 33 16.761 -0.460 22.159 218 HA TYR 33 HA TYR 33 14.402 -2.051 21.813 219 1HB TYR 33 2HB TYR 33 13.381 0.040 21.594 220 2HB TYR 33 1HB TYR 33 14.582 0.628 20.477 221 HD1 TYR 33 HD1 TYR 33 12.201 -2.337 20.699 222 HD2 TYR 33 HD2 TYR 33 13.988 0.757 18.310 223 HE1 TYR 33 HE1 TYR 33 10.876 -3.081 18.734 224 HE2 TYR 33 HE2 TYR 33 12.668 0.017 16.355 225 HH TYR 33 HH TYR 33 10.162 -1.455 16.313 226 H SER 34 H SER 34 14.796 -3.648 20.399 227 HA SER 34 HA SER 34 17.216 -3.608 18.741 228 1HB SER 34 2HB SER 34 16.744 -6.069 18.479 229 2HB SER 34 1HB SER 34 16.995 -5.572 20.144 230 HG SER 34 HG SER 34 15.113 -6.971 19.692 231 H MET 35 H MET 35 16.456 -2.182 17.202 232 HA MET 35 HA MET 35 14.115 -2.290 15.679 233 1HB MET 35 2HB MET 35 15.702 -0.401 15.810 234 2HB MET 35 1HB MET 35 16.817 -1.295 14.799 235 1HG MET 35 2HG MET 35 15.433 0.474 13.644 236 2HG MET 35 1HG MET 35 15.373 -1.120 12.910 237 1HE MET 35 3HE MET 35 13.788 0.903 12.056 238 2HE MET 35 2HE MET 35 12.181 0.203 11.924 239 3HE MET 35 1HE MET 35 12.449 1.534 13.035 240 H LEU 36 H LEU 36 16.775 -4.562 15.330 241 HA LEU 36 HA LEU 36 15.914 -5.198 12.613 242 1HB LEU 36 2HB LEU 36 17.944 -5.938 12.179 243 2HB LEU 36 1HB LEU 36 18.387 -5.080 13.615 244 HG LEU 36 HG LEU 36 19.500 -7.114 13.725 245 1HD1 LEU 36 3HD1 LEU 36 17.629 -6.648 15.688 246 2HD1 LEU 36 2HD1 LEU 36 17.386 -8.342 15.279 247 3HD1 LEU 36 1HD1 LEU 36 18.980 -7.780 15.774 248 1HD2 LEU 36 1HD2 LEU 36 17.922 -8.101 11.866 249 2HD2 LEU 36 3HD2 LEU 36 18.791 -9.183 12.950 250 3HD2 LEU 36 2HD2 LEU 36 17.090 -8.835 13.233 251 H THR 37 H THR 37 15.378 -6.750 15.753 252 HA THR 37 HA THR 37 14.207 -9.028 14.248 253 HB THR 37 HB THR 37 16.026 -9.651 15.755 254 HG1 THR 37 HG1 THR 37 14.974 -11.397 16.220 255 1HG2 THR 37 1HG2 THR 37 15.790 -7.891 17.479 256 2HG2 THR 37 3HG2 THR 37 14.268 -8.617 17.993 257 3HG2 THR 37 2HG2 THR 37 15.775 -9.501 18.199 258 H ALA 38 H ALA 38 13.503 -6.493 16.510 259 HA ALA 38 HA ALA 38 10.687 -7.339 16.880 260 1HB ALA 38 2HB ALA 38 12.567 -5.381 18.245 261 2HB ALA 38 1HB ALA 38 10.889 -5.654 18.741 262 3HB ALA 38 3HB ALA 38 12.088 -6.948 18.873 263 H LYS 39 H LYS 39 9.125 -6.006 15.721 264 HA LYS 39 HA LYS 39 10.250 -3.749 14.379 265 1HB LYS 39 2HB LYS 39 8.528 -5.723 13.274 266 2HB LYS 39 1HB LYS 39 7.725 -4.169 13.163 267 1HG LYS 39 2HG LYS 39 9.198 -4.501 11.215 268 2HG LYS 39 1HG LYS 39 9.672 -3.126 12.211 269 1HD LYS 39 2HD LYS 39 11.317 -4.817 13.339 270 2HD LYS 39 1HD LYS 39 11.034 -5.791 11.913 271 1HE LYS 39 2HE LYS 39 11.691 -3.758 10.529 272 2HE LYS 39 1HE LYS 39 12.201 -3.008 12.037 273 1HZ LYS 39 2HZ LYS 39 13.639 -4.987 12.410 274 2HZ LYS 39 1HZ LYS 39 13.290 -5.496 10.814 275 3HZ LYS 39 3HZ LYS 39 14.079 -4.028 11.096 276 H ALA 40 H ALA 40 7.837 -4.440 16.742 277 HA ALA 40 HA ALA 40 6.097 -2.211 16.464 278 1HB ALA 40 3HB ALA 40 6.841 -3.922 18.848 279 2HB ALA 40 2HB ALA 40 5.552 -2.723 18.880 280 3HB ALA 40 1HB ALA 40 5.438 -4.111 17.798 281 H LEU 41 H LEU 41 6.339 -0.091 17.074 282 HA LEU 41 HA LEU 41 8.807 1.070 17.681 283 1HB LEU 41 2HB LEU 41 5.988 2.108 17.850 284 2HB LEU 41 1HB LEU 41 7.360 3.132 18.261 285 HG LEU 41 HG LEU 41 7.258 1.643 15.631 286 1HD1 LEU 41 2HD1 LEU 41 5.187 3.098 15.952 287 2HD1 LEU 41 1HD1 LEU 41 6.281 4.482 16.012 288 3HD1 LEU 41 3HD1 LEU 41 6.198 3.482 14.564 289 1HD2 LEU 41 3HD2 LEU 41 8.635 4.179 16.579 290 2HD2 LEU 41 2HD2 LEU 41 9.406 2.617 16.296 291 3HD2 LEU 41 1HD2 LEU 41 8.724 3.522 14.947 292 HA PRO 42 HA PRO 42 9.338 0.593 22.019 293 1HB PRO 42 2HB PRO 42 11.089 2.609 22.531 294 2HB PRO 42 1HB PRO 42 11.497 1.065 21.751 295 1HG PRO 42 2HG PRO 42 11.144 3.751 20.532 296 2HG PRO 42 1HG PRO 42 12.192 2.406 20.030 297 1HD PRO 42 2HD PRO 42 9.775 3.044 18.809 298 2HD PRO 42 1HD PRO 42 10.596 1.481 18.696 299 H THR 43 H THR 43 9.372 1.718 24.150 300 HA THR 43 HA THR 43 7.095 3.533 24.479 301 HB THR 43 HB THR 43 8.591 2.371 26.809 302 HG1 THR 43 HG1 THR 43 7.752 0.431 26.528 303 1HG2 THR 43 3HG2 THR 43 5.837 3.366 26.246 304 2HG2 THR 43 2HG2 THR 43 6.067 2.159 27.507 305 3HG2 THR 43 1HG2 THR 43 6.902 3.705 27.609 306 H THR 44 H THR 44 7.163 5.391 25.706 307 HA THR 44 HA THR 44 9.139 7.244 25.284 308 HB THR 44 HB THR 44 6.747 7.595 25.945 309 HG1 THR 44 HG1 THR 44 8.755 9.261 27.025 310 1HG2 THR 44 1HG2 THR 44 7.540 6.615 28.501 311 2HG2 THR 44 3HG2 THR 44 7.167 8.329 28.672 312 3HG2 THR 44 2HG2 THR 44 5.974 7.235 27.999 313 H ALA 45 H ALA 45 8.969 5.156 28.102 314 HA ALA 45 HA ALA 45 10.974 6.438 29.688 315 1HB ALA 45 1HB ALA 45 10.108 3.509 29.670 316 2HB ALA 45 3HB ALA 45 11.057 4.280 30.940 317 3HB ALA 45 2HB ALA 45 9.395 4.780 30.657 318 H GLN 46 H GLN 46 11.144 3.625 27.486 319 HA GLN 46 HA GLN 46 13.985 3.351 27.596 320 1HB GLN 46 2HB GLN 46 12.015 2.403 25.470 321 2HB GLN 46 1HB GLN 46 13.704 1.907 25.565 322 1HG GLN 46 2HG GLN 46 12.908 1.340 28.103 323 2HG GLN 46 1HG GLN 46 11.398 1.073 27.238 324 1HE2 GLN 46 2HE2 GLN 46 12.532 -1.960 25.792 325 2HE2 GLN 46 1HE2 GLN 46 11.240 -0.868 25.953 326 H TYR 47 H TYR 47 11.813 5.269 25.599 327 HA TYR 47 HA TYR 47 13.553 6.113 23.538 328 1HB TYR 47 2HB TYR 47 11.001 7.029 24.678 329 2HB TYR 47 1HB TYR 47 11.974 8.336 24.048 330 HD1 TYR 47 HD2 TYR 47 13.181 7.453 21.598 331 HD2 TYR 47 HD1 TYR 47 9.375 6.319 23.256 332 HE1 TYR 47 HE2 TYR 47 12.369 6.880 19.346 333 HE2 TYR 47 HE1 TYR 47 8.564 5.749 20.993 334 HH TYR 47 HH TYR 47 9.620 5.068 18.754 335 H LYS 48 H LYS 48 12.747 7.940 26.572 336 HA LYS 48 HA LYS 48 14.733 9.916 26.221 337 1HB LYS 48 2HB LYS 48 14.659 10.172 28.791 338 2HB LYS 48 1HB LYS 48 13.264 10.615 27.845 339 1HG LYS 48 2HG LYS 48 12.063 8.663 28.557 340 2HG LYS 48 1HG LYS 48 13.532 7.914 29.214 341 1HD LYS 48 2HD LYS 48 13.767 9.821 30.752 342 2HD LYS 48 1HD LYS 48 12.213 10.437 30.174 343 1HE LYS 48 2HE LYS 48 11.016 8.538 31.008 344 2HE LYS 48 1HE LYS 48 12.490 7.629 31.271 345 1HZ LYS 48 2HZ LYS 48 13.067 9.211 33.063 346 2HZ LYS 48 1HZ LYS 48 11.584 10.015 32.806 347 3HZ LYS 48 3HZ LYS 48 11.594 8.414 33.346 348 H LEU 49 H LEU 49 14.931 6.872 27.984 349 HA LEU 49 HA LEU 49 17.535 7.057 29.044 350 1HB LEU 49 2HB LEU 49 15.780 4.791 28.197 351 2HB LEU 49 1HB LEU 49 17.459 4.439 28.585 352 HG LEU 49 HG LEU 49 15.581 5.928 30.431 353 1HD1 LEU 49 2HD1 LEU 49 14.760 3.630 29.964 354 2HD1 LEU 49 1HD1 LEU 49 16.331 2.989 30.455 355 3HD1 LEU 49 3HD1 LEU 49 15.307 3.813 31.632 356 1HD2 LEU 49 2HD2 LEU 49 18.062 6.192 30.825 357 2HD2 LEU 49 1HD2 LEU 49 17.240 5.368 32.149 358 3HD2 LEU 49 3HD2 LEU 49 18.180 4.441 30.983 359 H MET 50 H MET 50 16.492 5.958 25.821 360 HA MET 50 HA MET 50 19.137 5.269 24.878 361 1HB MET 50 2HB MET 50 16.440 5.443 23.579 362 2HB MET 50 1HB MET 50 17.882 5.376 22.571 363 1HG MET 50 2HG MET 50 18.507 3.394 24.273 364 2HG MET 50 1HG MET 50 16.754 3.306 24.386 365 1HE MET 50 3HE MET 50 15.192 2.721 22.754 366 2HE MET 50 2HE MET 50 15.521 3.872 21.462 367 3HE MET 50 1HE MET 50 15.480 2.155 21.095 368 H CYS 51 H CYS 51 17.034 8.113 24.347 369 HA CYS 51 HA CYS 51 18.435 9.398 22.357 370 1HB CYS 51 2HB CYS 51 16.663 10.427 24.531 371 2HB CYS 51 1HB CYS 51 17.605 11.594 23.618 372 H ALA 52 H ALA 52 19.439 9.291 25.728 373 HA ALA 52 HA ALA 52 21.381 11.366 25.686 374 1HB ALA 52 3HB ALA 52 21.402 8.817 27.328 375 2HB ALA 52 2HB ALA 52 22.409 10.227 27.625 376 3HB ALA 52 1HB ALA 52 20.659 10.345 27.809 377 H SER 53 H SER 53 21.591 8.021 24.607 378 HA SER 53 HA SER 53 24.430 7.824 24.331 379 1HB SER 53 2HB SER 53 22.770 5.901 24.411 380 2HB SER 53 1HB SER 53 22.408 6.271 22.726 381 HG SER 53 HG SER 53 24.296 5.470 22.190 382 H THR 54 H THR 54 25.785 8.578 22.919 383 HA THR 54 HA THR 54 24.964 10.300 20.789 384 HB THR 54 HB THR 54 27.038 10.621 22.102 385 HG1 THR 54 HG1 THR 54 26.942 11.677 20.203 386 1HG2 THR 54 1HG2 THR 54 27.759 8.165 22.066 387 2HG2 THR 54 3HG2 THR 54 28.329 8.466 20.423 388 3HG2 THR 54 2HG2 THR 54 29.019 9.359 21.774 389 H ALA 55 H ALA 55 26.006 6.930 20.818 390 HA ALA 55 HA ALA 55 26.457 6.439 18.108 391 1HB ALA 55 1HB ALA 55 26.686 4.751 20.015 392 2HB ALA 55 3HB ALA 55 24.948 4.491 19.842 393 3HB ALA 55 2HB ALA 55 26.018 4.143 18.495 394 H CYS 56 H CYS 56 23.370 5.901 19.785 395 HA CYS 56 HA CYS 56 21.860 5.307 17.534 396 1HB CYS 56 2HB CYS 56 21.298 5.482 20.230 397 2HB CYS 56 1HB CYS 56 20.253 6.724 19.541 398 H ASN 57 H ASN 57 22.462 8.486 18.933 399 HA ASN 57 HA ASN 57 20.747 10.014 17.202 400 1HB ASN 57 2HB ASN 57 22.791 10.653 19.220 401 2HB ASN 57 1HB ASN 57 22.810 11.776 17.876 402 1HD2 ASN 57 2HD2 ASN 57 19.914 12.114 20.600 403 2HD2 ASN 57 1HD2 ASN 57 21.303 11.172 20.837 404 H THR 58 H THR 58 24.187 9.190 16.908 405 HA THR 58 HA THR 58 24.562 10.645 14.461 406 HB THR 58 HB THR 58 25.985 8.142 15.473 407 HG1 THR 58 HG1 THR 58 26.458 10.893 15.975 408 1HG2 THR 58 1HG2 THR 58 26.317 8.929 13.001 409 2HG2 THR 58 3HG2 THR 58 27.291 10.205 13.730 410 3HG2 THR 58 2HG2 THR 58 27.723 8.515 13.978 411 H MET 59 H MET 59 23.668 7.342 15.230 412 HA MET 59 HA MET 59 23.372 5.949 12.874 413 1HB MET 59 2HB MET 59 22.441 5.808 15.574 414 2HB MET 59 1HB MET 59 21.120 5.407 14.521 415 1HG MET 59 2HG MET 59 22.706 3.722 13.427 416 2HG MET 59 1HG MET 59 23.792 4.053 14.785 417 1HE MET 59 1HE MET 59 20.260 3.232 13.695 418 2HE MET 59 3HE MET 59 19.586 2.216 14.985 419 3HE MET 59 2HE MET 59 19.647 3.958 15.173 420 H ILE 60 H ILE 60 20.655 7.528 14.494 421 HA ILE 60 HA ILE 60 18.896 7.397 12.263 422 HB ILE 60 HB ILE 60 18.670 8.831 14.920 423 1HG1 ILE 60 2HG1 ILE 60 17.489 6.268 13.812 424 2HG1 ILE 60 1HG1 ILE 60 18.858 6.356 14.897 425 1HG2 ILE 60 2HG2 ILE 60 16.656 8.509 12.673 426 2HG2 ILE 60 1HG2 ILE 60 16.163 8.779 14.338 427 3HG2 ILE 60 3HG2 ILE 60 17.120 10.000 13.498 428 1HD1 ILE 60 2HD1 ILE 60 17.111 7.718 16.399 429 2HD1 ILE 60 1HD1 ILE 60 15.964 6.781 15.442 430 3HD1 ILE 60 3HD1 ILE 60 17.172 5.955 16.420 431 H LYS 61 H LYS 61 20.557 10.196 13.673 432 HA LYS 61 HA LYS 61 19.621 12.149 11.859 433 1HB LYS 61 2HB LYS 61 22.319 11.912 13.226 434 2HB LYS 61 1HB LYS 61 21.846 13.330 12.283 435 1HG LYS 61 2HG LYS 61 19.666 13.222 13.732 436 2HG LYS 61 1HG LYS 61 20.675 12.302 14.839 437 1HD LYS 61 2HD LYS 61 21.577 14.979 13.773 438 2HD LYS 61 1HD LYS 61 20.506 14.869 15.167 439 1HE LYS 61 2HE LYS 61 22.121 13.453 16.350 440 2HE LYS 61 1HE LYS 61 23.204 13.490 14.961 441 1HZ LYS 61 1HZ LYS 61 23.120 16.025 15.251 442 2HZ LYS 61 3HZ LYS 61 22.467 15.698 16.783 443 3HZ LYS 61 2HZ LYS 61 24.014 15.124 16.381 444 H LYS 62 H LYS 62 22.224 9.827 11.482 445 HA LYS 62 HA LYS 62 23.247 10.739 8.969 446 1HB LYS 62 2HB LYS 62 24.514 9.187 10.427 447 2HB LYS 62 1HB LYS 62 23.320 7.934 10.147 448 1HG LYS 62 2HG LYS 62 24.095 8.635 7.567 449 2HG LYS 62 1HG LYS 62 25.590 8.796 8.488 450 1HD LYS 62 2HD LYS 62 25.331 6.526 9.368 451 2HD LYS 62 1HD LYS 62 23.800 6.354 8.527 452 1HE LYS 62 2HE LYS 62 25.156 5.296 7.009 453 2HE LYS 62 1HE LYS 62 25.342 6.934 6.401 454 1HZ LYS 62 3HZ LYS 62 27.335 7.067 7.962 455 2HZ LYS 62 2HZ LYS 62 27.192 5.376 8.115 456 3HZ LYS 62 1HZ LYS 62 27.494 6.072 6.601 457 H ILE 63 H ILE 63 20.872 8.238 9.756 458 HA ILE 63 HA ILE 63 20.202 7.490 7.077 459 HB ILE 63 HB ILE 63 18.501 7.359 9.591 460 1HG1 ILE 63 2HG1 ILE 63 20.568 6.040 9.782 461 2HG1 ILE 63 1HG1 ILE 63 19.157 5.007 9.726 462 1HG2 ILE 63 3HG2 ILE 63 18.084 5.968 6.938 463 2HG2 ILE 63 2HG2 ILE 63 17.244 5.552 8.428 464 3HG2 ILE 63 1HG2 ILE 63 17.015 7.144 7.709 465 1HD1 ILE 63 2HD1 ILE 63 20.460 5.554 7.113 466 2HD1 ILE 63 1HD1 ILE 63 21.394 4.592 8.259 467 3HD1 ILE 63 3HD1 ILE 63 19.793 4.054 7.762 468 H VAL 64 H VAL 64 18.959 10.080 9.173 469 HA VAL 64 HA VAL 64 16.849 10.926 7.448 470 HB VAL 64 HB VAL 64 18.403 12.523 9.507 471 1HG1 VAL 64 3HG1 VAL 64 17.011 13.881 7.918 472 2HG1 VAL 64 2HG1 VAL 64 15.594 12.973 8.433 473 3HG1 VAL 64 1HG1 VAL 64 16.449 13.995 9.584 474 1HG2 VAL 64 2HG2 VAL 64 16.562 10.324 9.803 475 2HG2 VAL 64 1HG2 VAL 64 17.420 11.227 11.043 476 3HG2 VAL 64 3HG2 VAL 64 15.841 11.782 10.490 477 H THR 65 H THR 65 20.203 12.030 7.817 478 HA THR 65 HA THR 65 20.107 14.026 5.811 479 HB THR 65 HB THR 65 22.675 13.331 5.602 480 HG1 THR 65 HG1 THR 65 22.512 11.498 6.924 481 1HG2 THR 65 2HG2 THR 65 21.504 14.827 7.945 482 2HG2 THR 65 1HG2 THR 65 23.189 14.900 7.428 483 3HG2 THR 65 3HG2 THR 65 21.916 15.486 6.362 484 H LEU 66 H LEU 66 20.584 10.543 5.556 485 HA LEU 66 HA LEU 66 21.436 10.432 2.833 486 1HB LEU 66 2HB LEU 66 19.761 8.339 4.229 487 2HB LEU 66 1HB LEU 66 20.691 8.129 2.766 488 HG LEU 66 HG LEU 66 21.497 8.055 5.616 489 1HD1 LEU 66 3HD1 LEU 66 21.326 6.075 4.209 490 2HD1 LEU 66 2HD1 LEU 66 22.564 6.724 3.132 491 3HD1 LEU 66 1HD1 LEU 66 22.971 6.311 4.801 492 1HD2 LEU 66 3HD2 LEU 66 22.886 10.005 4.716 493 2HD2 LEU 66 2HD2 LEU 66 23.833 8.614 5.221 494 3HD2 LEU 66 1HD2 LEU 66 23.530 8.892 3.509 495 H ASN 67 H ASN 67 18.237 10.610 4.288 496 HA ASN 67 HA ASN 67 16.153 10.952 3.518 497 1HB ASN 67 2HB ASN 67 17.392 12.928 2.617 498 2HB ASN 67 1HB ASN 67 17.531 12.102 1.087 499 1HD2 ASN 67 2HD2 ASN 67 14.571 14.356 0.868 500 2HD2 ASN 67 1HD2 ASN 67 16.244 14.588 1.042 501 HA PRO 68 HA PRO 68 16.000 7.085 1.012 502 1HB PRO 68 2HB PRO 68 14.412 5.713 2.756 503 2HB PRO 68 1HB PRO 68 16.183 5.800 2.888 504 1HG PRO 68 2HG PRO 68 14.120 7.203 4.519 505 2HG PRO 68 1HG PRO 68 15.747 6.657 4.974 506 1HD PRO 68 2HD PRO 68 15.055 9.287 4.342 507 2HD PRO 68 1HD PRO 68 16.703 8.630 4.389 508 HA PRO 69 HA PRO 69 12.036 8.084 -0.824 509 1HB PRO 69 2HB PRO 69 11.223 5.714 -1.897 510 2HB PRO 69 1HB PRO 69 12.523 6.716 -2.567 511 1HG PRO 69 2HG PRO 69 12.734 4.203 -0.973 512 2HG PRO 69 1HG PRO 69 13.777 4.811 -2.268 513 1HD PRO 69 2HD PRO 69 14.421 4.995 0.416 514 2HD PRO 69 1HD PRO 69 15.082 6.042 -0.858 515 H ASN 70 H ASN 70 10.026 8.482 -0.023 516 HA ASN 70 HA ASN 70 9.066 7.292 2.361 517 1HB ASN 70 2HB ASN 70 6.806 8.371 1.793 518 2HB ASN 70 1HB ASN 70 8.156 9.431 2.086 519 1HD2 ASN 70 2HD2 ASN 70 8.034 10.798 -1.217 520 2HD2 ASN 70 1HD2 ASN 70 8.992 10.652 0.172 521 H CYS 71 H CYS 71 8.394 5.342 2.648 522 HA CYS 71 HA CYS 71 6.190 4.154 1.271 523 1HB CYS 71 2HB CYS 71 7.137 2.536 -0.073 524 2HB CYS 71 1HB CYS 71 8.141 3.927 -0.420 525 H ASP 72 H ASP 72 5.763 1.912 1.906 526 HA ASP 72 HA ASP 72 6.706 1.188 4.628 527 1HB ASP 72 2HB ASP 72 4.039 1.369 3.441 528 2HB ASP 72 1HB ASP 72 4.345 -0.194 4.172 529 H LEU 73 H LEU 73 7.633 -0.713 4.913 530 HA LEU 73 HA LEU 73 7.274 -2.907 3.019 531 1HB LEU 73 2HB LEU 73 9.729 -3.517 3.381 532 2HB LEU 73 1HB LEU 73 9.379 -2.171 2.344 533 HG LEU 73 HG LEU 73 11.352 -1.904 3.799 534 1HD1 LEU 73 3HD1 LEU 73 9.646 0.060 3.130 535 2HD1 LEU 73 2HD1 LEU 73 9.634 0.223 4.885 536 3HD1 LEU 73 1HD1 LEU 73 11.155 0.320 4.003 537 1HD2 LEU 73 3HD2 LEU 73 10.217 -3.106 5.779 538 2HD2 LEU 73 2HD2 LEU 73 11.276 -1.739 6.134 539 3HD2 LEU 73 1HD2 LEU 73 9.530 -1.528 6.160 540 H THR 74 H THR 74 7.384 -5.019 3.820 541 HA THR 74 HA THR 74 6.599 -5.316 6.622 542 HB THR 74 HB THR 74 5.901 -7.564 5.805 543 HG1 THR 74 HG1 THR 74 7.010 -8.081 4.043 544 1HG2 THR 74 3HG2 THR 74 4.669 -5.153 5.444 545 2HG2 THR 74 2HG2 THR 74 4.650 -5.816 3.817 546 3HG2 THR 74 1HG2 THR 74 3.924 -6.723 5.145 547 H VAL 75 H VAL 75 7.578 -6.699 8.093 548 HA VAL 75 HA VAL 75 10.302 -7.664 7.473 549 HB VAL 75 HB VAL 75 9.126 -6.286 9.858 550 1HG1 VAL 75 1HG1 VAL 75 10.872 -8.586 10.174 551 2HG1 VAL 75 3HG1 VAL 75 11.639 -7.117 10.763 552 3HG1 VAL 75 2HG1 VAL 75 10.077 -7.604 11.393 553 1HG2 VAL 75 1HG2 VAL 75 11.019 -5.700 7.845 554 2HG2 VAL 75 3HG2 VAL 75 10.542 -4.693 9.208 555 3HG2 VAL 75 2HG2 VAL 75 11.910 -5.795 9.353 556 HA PRO 76 HA PRO 76 8.461 -11.660 8.381 557 1HB PRO 76 2HB PRO 76 10.660 -13.184 7.858 558 2HB PRO 76 1HB PRO 76 9.629 -12.489 6.595 559 1HG PRO 76 2HG PRO 76 12.346 -11.668 7.427 560 2HG PRO 76 1HG PRO 76 11.507 -11.433 5.886 561 1HD PRO 76 2HD PRO 76 11.851 -9.462 7.891 562 2HD PRO 76 1HD PRO 76 10.815 -9.355 6.456 563 H THR 77 H THR 77 11.607 -10.787 9.851 564 HA THR 77 HA THR 77 11.584 -12.758 11.901 565 HB THR 77 HB THR 77 13.676 -11.702 11.348 566 HG1 THR 77 HG1 THR 77 13.015 -10.916 13.990 567 1HG2 THR 77 3HG2 THR 77 12.696 -9.417 10.792 568 2HG2 THR 77 2HG2 THR 77 12.811 -9.065 12.517 569 3HG2 THR 77 1HG2 THR 77 14.262 -9.438 11.595 570 H SER 78 H SER 78 10.715 -9.275 12.252 571 HA SER 78 HA SER 78 9.490 -9.815 14.820 572 1HB SER 78 2HB SER 78 10.300 -7.445 14.488 573 2HB SER 78 1HB SER 78 9.270 -7.271 13.102 574 HG SER 78 HG SER 78 7.499 -7.478 14.435 575 H GLY 79 H GLY 79 8.317 -9.314 11.527 576 1HA GLY 79 2HA GLY 79 6.419 -10.348 10.555 577 2HA GLY 79 1HA GLY 79 5.812 -10.722 12.171 578 H LEU 80 H LEU 80 6.902 -7.461 11.349 579 HA LEU 80 HA LEU 80 4.090 -6.522 11.330 580 1HB LEU 80 2HB LEU 80 5.993 -6.006 13.293 581 2HB LEU 80 1HB LEU 80 6.039 -4.567 12.290 582 HG LEU 80 HG LEU 80 3.350 -4.932 12.500 583 1HD1 LEU 80 3HD1 LEU 80 4.498 -6.527 14.634 584 2HD1 LEU 80 2HD1 LEU 80 3.541 -5.200 15.286 585 3HD1 LEU 80 1HD1 LEU 80 2.815 -6.331 14.156 586 1HD2 LEU 80 2HD2 LEU 80 5.168 -3.431 14.412 587 2HD2 LEU 80 1HD2 LEU 80 4.506 -2.821 12.895 588 3HD2 LEU 80 3HD2 LEU 80 3.435 -3.163 14.251 589 H VAL 81 H VAL 81 3.880 -4.284 10.376 590 HA VAL 81 HA VAL 81 5.495 -3.979 7.887 591 HB VAL 81 HB VAL 81 2.687 -3.049 8.525 592 1HG1 VAL 81 1HG1 VAL 81 4.234 -3.077 5.919 593 2HG1 VAL 81 3HG1 VAL 81 2.504 -2.735 6.039 594 3HG1 VAL 81 2HG1 VAL 81 3.669 -1.670 6.822 595 1HG2 VAL 81 1HG2 VAL 81 3.522 -5.436 6.843 596 2HG2 VAL 81 3HG2 VAL 81 2.694 -5.496 8.395 597 3HG2 VAL 81 2HG2 VAL 81 1.878 -4.825 6.989 598 H LEU 82 H LEU 82 6.783 -2.202 7.950 599 HA LEU 82 HA LEU 82 5.957 0.196 9.510 600 1HB LEU 82 2HB LEU 82 7.620 -1.005 10.839 601 2HB LEU 82 1HB LEU 82 8.709 -1.062 9.469 602 HG LEU 82 HG LEU 82 8.971 1.452 9.612 603 1HD1 LEU 82 3HD1 LEU 82 6.582 1.620 10.809 604 2HD1 LEU 82 2HD1 LEU 82 7.520 1.326 12.266 605 3HD1 LEU 82 1HD1 LEU 82 7.876 2.729 11.258 606 1HD2 LEU 82 1HD2 LEU 82 10.349 -0.234 10.930 607 2HD2 LEU 82 3HD2 LEU 82 10.321 1.413 11.560 608 3HD2 LEU 82 2HD2 LEU 82 9.335 0.160 12.318 609 H ASN 83 H ASN 83 6.860 2.140 8.786 610 HA ASN 83 HA ASN 83 7.223 2.369 5.897 611 1HB ASN 83 2HB ASN 83 5.851 3.863 7.474 612 2HB ASN 83 1HB ASN 83 7.363 4.496 8.099 613 1HD2 ASN 83 2HD2 ASN 83 5.988 5.719 4.447 614 2HD2 ASN 83 1HD2 ASN 83 5.240 4.405 5.230 615 H VAL 84 H VAL 84 9.304 4.683 7.087 616 HA VAL 84 HA VAL 84 11.499 3.499 8.078 617 HB VAL 84 HB VAL 84 11.233 2.742 5.277 618 1HG1 VAL 84 1HG1 VAL 84 13.854 4.106 5.902 619 2HG1 VAL 84 3HG1 VAL 84 13.561 3.042 4.528 620 3HG1 VAL 84 2HG1 VAL 84 12.708 4.576 4.642 621 1HG2 VAL 84 1HG2 VAL 84 11.977 1.437 7.416 622 2HG2 VAL 84 3HG2 VAL 84 12.645 1.015 5.839 623 3HG2 VAL 84 2HG2 VAL 84 13.580 1.998 6.960 624 H TYR 85 H TYR 85 10.582 5.649 5.461 625 HA TYR 85 HA TYR 85 12.410 7.821 5.710 626 1HB TYR 85 2HB TYR 85 10.765 7.364 3.820 627 2HB TYR 85 1HB TYR 85 9.470 7.844 4.875 628 HD1 TYR 85 HD2 TYR 85 12.845 9.282 3.913 629 HD2 TYR 85 HD1 TYR 85 8.624 9.936 4.364 630 HE1 TYR 85 HE2 TYR 85 13.116 11.618 3.166 631 HE2 TYR 85 HE1 TYR 85 8.902 12.273 3.614 632 HH TYR 85 HH TYR 85 11.185 13.417 1.955 633 H SER 86 H SER 86 9.107 7.332 6.929 634 HA SER 86 HA SER 86 9.074 9.597 8.694 635 1HB SER 86 2HB SER 86 7.216 7.194 8.534 636 2HB SER 86 1HB SER 86 6.950 8.595 9.557 637 HG SER 86 HG SER 86 6.323 9.668 7.824 638 H TYR 87 H TYR 87 10.112 6.284 9.156 639 HA TYR 87 HA TYR 87 9.981 6.005 11.953 640 1HB TYR 87 2HB TYR 87 10.608 4.061 11.058 641 2HB TYR 87 1HB TYR 87 11.429 4.759 9.704 642 HD1 TYR 87 HD2 TYR 87 11.888 4.448 13.449 643 HD2 TYR 87 HD1 TYR 87 13.610 4.159 9.520 644 HE1 TYR 87 HE2 TYR 87 14.037 3.696 14.452 645 HE2 TYR 87 HE1 TYR 87 15.755 3.407 10.516 646 HH TYR 87 HH TYR 87 16.624 3.836 13.531 647 H ALA 88 H ALA 88 12.860 6.859 10.113 648 HA ALA 88 HA ALA 88 14.417 7.798 12.297 649 1HB ALA 88 1HB ALA 88 15.279 6.850 10.234 650 2HB ALA 88 3HB ALA 88 14.651 8.222 9.330 651 3HB ALA 88 2HB ALA 88 15.961 8.466 10.500 652 H ASN 89 H ASN 89 12.377 9.505 9.979 653 HA ASN 89 HA ASN 89 13.130 12.191 10.625 654 1HB ASN 89 2HB ASN 89 11.546 11.068 8.702 655 2HB ASN 89 1HB ASN 89 10.326 11.703 9.782 656 1HD2 ASN 89 2HD2 ASN 89 11.919 14.213 7.211 657 2HD2 ASN 89 1HD2 ASN 89 11.867 12.542 7.005 658 H GLY 90 H GLY 90 10.472 10.129 11.853 659 1HA GLY 90 2HA GLY 90 9.255 11.994 13.625 660 2HA GLY 90 1HA GLY 90 9.053 10.264 13.634 661 H PHE 91 H PHE 91 11.684 9.449 14.218 662 HA PHE 91 HA PHE 91 11.864 9.407 17.001 663 1HB PHE 91 2HB PHE 91 13.138 8.050 15.223 664 2HB PHE 91 1HB PHE 91 14.299 9.354 15.217 665 HD1 PHE 91 HD2 PHE 91 15.281 9.991 17.669 666 HD2 PHE 91 HD1 PHE 91 13.408 6.254 16.647 667 HE1 PHE 91 HE2 PHE 91 16.400 8.915 19.573 668 HE2 PHE 91 HE1 PHE 91 14.535 5.183 18.554 669 HZ PHE 91 HZ PHE 91 16.033 6.494 20.030 670 H SER 92 H SER 92 13.857 11.450 14.849 671 HA SER 92 HA SER 92 15.168 12.929 16.828 672 1HB SER 92 2HB SER 92 15.814 14.484 15.009 673 2HB SER 92 1HB SER 92 16.065 12.810 14.599 674 HG SER 92 HG SER 92 14.397 12.938 13.157 675 H ASN 93 H ASN 93 12.398 14.213 14.899 676 HA ASN 93 HA ASN 93 12.273 16.603 16.371 677 1HB ASN 93 2HB ASN 93 10.055 16.994 15.442 678 2HB ASN 93 1HB ASN 93 11.110 16.336 14.218 679 1HD2 ASN 93 2HD2 ASN 93 7.717 14.355 15.217 680 2HD2 ASN 93 1HD2 ASN 93 8.131 15.806 15.997 681 H LYS 94 H LYS 94 10.487 13.568 17.057 682 HA LYS 94 HA LYS 94 9.312 14.758 19.378 683 1HB LYS 94 2HB LYS 94 8.181 12.783 19.842 684 2HB LYS 94 1HB LYS 94 8.295 12.822 18.099 685 1HG LYS 94 2HG LYS 94 10.414 11.295 18.502 686 2HG LYS 94 1HG LYS 94 9.637 10.995 20.076 687 1HD LYS 94 2HD LYS 94 7.460 10.762 18.674 688 2HD LYS 94 1HD LYS 94 8.558 10.481 17.334 689 1HE LYS 94 2HE LYS 94 8.406 8.305 17.969 690 2HE LYS 94 1HE LYS 94 9.573 8.748 19.200 691 1HZ LYS 94 3HZ LYS 94 6.689 9.107 19.783 692 2HZ LYS 94 2HZ LYS 94 7.366 7.555 19.819 693 3HZ LYS 94 1HZ LYS 94 7.979 8.761 20.827 694 H CYS 95 H CYS 95 12.339 13.009 18.966 695 HA CYS 95 HA CYS 95 12.770 12.567 21.784 696 1HB CYS 95 2HB CYS 95 14.166 11.312 20.193 697 2HB CYS 95 1HB CYS 95 14.735 12.797 19.461 698 H SER 96 H SER 96 13.539 15.175 19.509 699 HA SER 96 HA SER 96 14.996 16.932 21.164 700 1HB SER 96 2HB SER 96 14.391 17.035 18.569 701 2HB SER 96 1HB SER 96 13.017 17.958 19.147 702 HG SER 96 HG SER 96 14.387 19.574 19.196 703 H SER 97 H SER 97 11.515 16.505 20.715 704 HA SER 97 HA SER 97 10.791 18.638 22.606 705 1HB SER 97 2HB SER 97 9.558 17.903 20.410 706 2HB SER 97 1HB SER 97 8.828 16.694 21.442 707 HG SER 97 HG SER 97 7.970 18.363 22.687 708 H LEU 98 HN LEU 98 11.449 15.266 22.926 709 HA LEU 98 HA LEU 98 9.796 14.925 25.334 710 1HB LEU 98 2HB LEU 98 9.818 13.268 23.500 711 2HB LEU 98 1HB LEU 98 11.531 13.003 23.748 712 HG LEU 98 HG LEU 98 9.513 12.517 25.956 713 1HD1 LEU 98 2HD1 LEU 98 10.344 10.717 23.668 714 2HD1 LEU 98 1HD1 LEU 98 9.649 10.088 25.161 715 3HD1 LEU 98 3HD1 LEU 98 8.705 11.172 24.137 716 1HD2 LEU 98 1HD2 LEU 98 12.361 11.763 25.352 717 2HD2 LEU 98 3HD2 LEU 98 11.661 12.320 26.870 718 3HD2 LEU 98 2HD2 LEU 98 11.386 10.662 26.327 No H/Q in entry = 718 Start of MODEL 7 1 1H THR 1 3H THR 1 0.289 3.608 0.293 2 2H THR 1 2H THR 1 -1.073 2.786 -0.313 3 3H THR 1 1H THR 1 -0.296 2.239 1.093 4 HA THR 1 HA THR 1 0.353 0.798 -0.561 5 HB THR 1 HB THR 1 -0.397 2.316 -2.384 6 HG1 THR 1 HG1 THR 1 0.453 0.791 -3.446 7 1HG2 THR 1 1HG2 THR 1 2.340 3.558 -2.025 8 2HG2 THR 1 3HG2 THR 1 1.373 3.728 -3.492 9 3HG2 THR 1 2HG2 THR 1 0.768 4.357 -1.964 10 H ALA 2 H ALA 2 2.458 -0.013 -0.951 11 HA ALA 2 HA ALA 2 4.557 1.045 0.867 12 1HB ALA 2 1HB ALA 2 3.629 -1.171 1.351 13 2HB ALA 2 3HB ALA 2 4.065 -1.715 -0.264 14 3HB ALA 2 2HB ALA 2 5.324 -1.300 0.892 15 H CYS 3 H CYS 3 6.838 0.000 0.052 16 HA CYS 3 HA CYS 3 7.522 1.413 -2.383 17 1HB CYS 3 2HB CYS 3 9.368 -0.524 -0.975 18 2HB CYS 3 1HB CYS 3 9.789 0.845 -1.961 19 H THR 4 H THR 4 8.872 0.282 -4.193 20 HA THR 4 HA THR 4 7.624 -2.325 -4.849 21 HB THR 4 HB THR 4 8.496 -0.132 -6.778 22 HG1 THR 4 HG1 THR 4 6.628 0.645 -5.980 23 1HG2 THR 4 1HG2 THR 4 6.975 -2.697 -7.225 24 2HG2 THR 4 3HG2 THR 4 7.183 -1.424 -8.425 25 3HG2 THR 4 2HG2 THR 4 8.585 -2.310 -7.828 26 H ALA 5 H ALA 5 10.229 -1.347 -6.978 27 HA ALA 5 HA ALA 5 11.913 -3.425 -5.708 28 1HB ALA 5 3HB ALA 5 11.150 -3.549 -8.175 29 2HB ALA 5 2HB ALA 5 12.372 -2.314 -8.483 30 3HB ALA 5 1HB ALA 5 12.841 -3.876 -7.820 31 H THR 6 H THR 6 12.597 -0.399 -7.529 32 HA THR 6 HA THR 6 15.174 0.028 -6.494 33 HB THR 6 HB THR 6 14.788 2.445 -7.274 34 HG1 THR 6 HG1 THR 6 12.717 2.910 -7.361 35 1HG2 THR 6 2HG2 THR 6 14.130 0.199 -9.180 36 2HG2 THR 6 1HG2 THR 6 14.657 1.813 -9.647 37 3HG2 THR 6 3HG2 THR 6 15.747 0.757 -8.746 38 H GLN 7 H GLN 7 12.075 1.278 -5.330 39 HA GLN 7 HA GLN 7 13.078 2.867 -3.208 40 1HB GLN 7 2HB GLN 7 10.381 1.683 -3.840 41 2HB GLN 7 1HB GLN 7 10.639 2.491 -2.295 42 1HG GLN 7 2HG GLN 7 11.208 4.548 -3.344 43 2HG GLN 7 1HG GLN 7 11.386 3.797 -4.916 44 1HE2 GLN 7 2HE2 GLN 7 7.948 4.173 -5.703 45 2HE2 GLN 7 1HE2 GLN 7 9.464 3.636 -6.238 46 H GLN 8 H GLN 8 11.831 -0.440 -3.166 47 HA GLN 8 HA GLN 8 12.361 -0.926 -0.407 48 1HB GLN 8 2HB GLN 8 10.846 -2.452 -1.860 49 2HB GLN 8 1HB GLN 8 12.335 -3.159 -2.474 50 1HG GLN 8 2HG GLN 8 13.005 -3.793 -0.214 51 2HG GLN 8 1HG GLN 8 11.560 -3.040 0.449 52 1HE2 GLN 8 2HE2 GLN 8 11.062 -6.553 -1.643 53 2HE2 GLN 8 1HE2 GLN 8 12.340 -5.536 -2.107 54 H THR 9 H THR 9 14.440 -1.392 -3.235 55 HA THR 9 HA THR 9 16.557 -2.658 -1.786 56 HB THR 9 HB THR 9 17.929 -1.915 -3.774 57 HG1 THR 9 HG1 THR 9 17.072 -0.677 -5.213 58 1HG2 THR 9 1HG2 THR 9 15.542 -3.709 -4.091 59 2HG2 THR 9 3HG2 THR 9 16.748 -3.514 -5.364 60 3HG2 THR 9 2HG2 THR 9 17.224 -4.141 -3.790 61 H ALA 10 H ALA 10 15.574 0.702 -2.122 62 HA ALA 10 HA ALA 10 18.133 1.816 -1.368 63 1HB ALA 10 1HB ALA 10 15.342 3.052 -1.234 64 2HB ALA 10 3HB ALA 10 16.853 3.938 -1.045 65 3HB ALA 10 2HB ALA 10 16.449 3.199 -2.593 66 H ALA 11 H ALA 11 15.064 1.246 0.325 67 HA ALA 11 HA ALA 11 15.949 1.932 2.965 68 1HB ALA 11 1HB ALA 11 13.512 1.496 2.177 69 2HB ALA 11 3HB ALA 11 13.879 -0.216 2.376 70 3HB ALA 11 2HB ALA 11 13.942 0.868 3.768 71 H TYR 12 H TYR 12 15.907 -1.052 1.103 72 HA TYR 12 HA TYR 12 16.944 -2.842 3.048 73 1HB TYR 12 2HB TYR 12 16.442 -2.909 0.144 74 2HB TYR 12 1HB TYR 12 17.845 -3.856 0.607 75 HD1 TYR 12 HD2 TYR 12 14.299 -3.223 1.668 76 HD2 TYR 12 HD1 TYR 12 17.579 -5.988 1.459 77 HE1 TYR 12 HE2 TYR 12 12.842 -5.000 2.559 78 HE2 TYR 12 HE1 TYR 12 16.131 -7.776 2.351 79 HH TYR 12 HH TYR 12 13.739 -7.560 3.963 80 H LYS 13 H LYS 13 18.567 -0.764 0.638 81 HA LYS 13 HA LYS 13 21.211 -1.679 0.982 82 1HB LYS 13 2HB LYS 13 20.569 -0.259 -0.878 83 2HB LYS 13 1HB LYS 13 20.158 1.061 0.186 84 1HG LYS 13 2HG LYS 13 22.460 1.417 0.754 85 2HG LYS 13 1HG LYS 13 22.962 -0.082 -0.023 86 1HD LYS 13 2HD LYS 13 21.540 1.523 -1.941 87 2HD LYS 13 1HD LYS 13 22.744 2.527 -1.151 88 1HE LYS 13 2HE LYS 13 24.525 1.317 -1.986 89 2HE LYS 13 1HE LYS 13 23.618 -0.185 -2.058 90 1HZ LYS 13 1HZ LYS 13 23.004 2.076 -3.880 91 2HZ LYS 13 3HZ LYS 13 24.235 0.970 -4.231 92 3HZ LYS 13 2HZ LYS 13 22.638 0.428 -4.064 93 H THR 14 H THR 14 19.394 0.810 2.804 94 HA THR 14 HA THR 14 21.672 1.434 4.485 95 HB THR 14 HB THR 14 18.830 2.132 5.289 96 HG1 THR 14 HG1 THR 14 18.842 3.843 3.874 97 1HG2 THR 14 2HG2 THR 14 21.487 3.542 5.492 98 2HG2 THR 14 1HG2 THR 14 19.948 4.154 6.099 99 3HG2 THR 14 3HG2 THR 14 20.649 2.692 6.795 100 H LEU 15 H LEU 15 18.662 -0.398 5.068 101 HA LEU 15 HA LEU 15 19.192 -1.271 7.698 102 1HB LEU 15 2HB LEU 15 17.024 -1.450 6.616 103 2HB LEU 15 1HB LEU 15 17.647 -2.594 5.452 104 HG LEU 15 HG LEU 15 17.886 -3.331 8.346 105 1HD1 LEU 15 3HD1 LEU 15 15.292 -3.059 6.829 106 2HD1 LEU 15 2HD1 LEU 15 15.480 -4.283 8.081 107 3HD1 LEU 15 1HD1 LEU 15 15.649 -2.579 8.488 108 1HD2 LEU 15 3HD2 LEU 15 17.315 -4.714 5.719 109 2HD2 LEU 15 2HD2 LEU 15 18.632 -5.023 6.855 110 3HD2 LEU 15 1HD2 LEU 15 16.986 -5.510 7.254 111 H VAL 16 H VAL 16 20.155 -2.951 4.648 112 HA VAL 16 HA VAL 16 21.394 -5.152 5.900 113 HB VAL 16 HB VAL 16 22.428 -5.601 3.807 114 1HG1 VAL 16 1HG1 VAL 16 19.551 -4.849 3.879 115 2HG1 VAL 16 3HG1 VAL 16 20.224 -5.660 2.457 116 3HG1 VAL 16 2HG1 VAL 16 20.299 -6.438 4.060 117 1HG2 VAL 16 1HG2 VAL 16 21.557 -2.847 2.984 118 2HG2 VAL 16 3HG2 VAL 16 23.002 -3.744 2.520 119 3HG2 VAL 16 2HG2 VAL 16 21.458 -4.128 1.774 120 H SER 17 H SER 17 22.647 -2.135 4.618 121 HA SER 17 HA SER 17 25.381 -2.552 5.119 122 1HB SER 17 2HB SER 17 25.739 -0.233 4.825 123 2HB SER 17 1HB SER 17 24.264 -0.492 3.949 124 HG SER 17 HG SER 17 24.323 1.373 5.349 125 H ILE 18 H ILE 18 22.764 -1.870 7.402 126 HA ILE 18 HA ILE 18 24.799 -1.627 9.533 127 HB ILE 18 HB ILE 18 21.799 -1.716 10.014 128 1HG1 ILE 18 2HG1 ILE 18 23.609 0.720 9.684 129 2HG1 ILE 18 1HG1 ILE 18 22.241 0.280 8.648 130 1HG2 ILE 18 1HG2 ILE 18 23.640 -2.143 11.860 131 2HG2 ILE 18 3HG2 ILE 18 23.857 -0.392 11.779 132 3HG2 ILE 18 2HG2 ILE 18 22.290 -1.073 12.201 133 1HD1 ILE 18 2HD1 ILE 18 20.831 0.296 10.794 134 2HD1 ILE 18 1HD1 ILE 18 22.176 1.152 11.530 135 3HD1 ILE 18 3HD1 ILE 18 21.330 1.876 10.159 136 H LEU 19 H LEU 19 22.217 -3.445 10.909 137 HA LEU 19 HA LEU 19 21.873 -5.456 11.641 138 1HB LEU 19 2HB LEU 19 23.544 -6.309 9.261 139 2HB LEU 19 1HB LEU 19 22.759 -7.450 10.353 140 HG LEU 19 HG LEU 19 21.265 -5.232 8.944 141 1HD1 LEU 19 1HD1 LEU 19 22.320 -6.882 7.358 142 2HD1 LEU 19 3HD1 LEU 19 21.374 -8.146 8.148 143 3HD1 LEU 19 2HD1 LEU 19 20.558 -6.827 7.304 144 1HD2 LEU 19 3HD2 LEU 19 20.387 -7.767 10.370 145 2HD2 LEU 19 2HD2 LEU 19 20.134 -6.116 10.931 146 3HD2 LEU 19 1HD2 LEU 19 19.306 -6.691 9.485 147 H SER 20 H SER 20 25.249 -5.310 10.714 148 HA SER 20 HA SER 20 26.086 -6.104 13.447 149 1HB SER 20 2HB SER 20 27.943 -7.390 12.400 150 2HB SER 20 1HB SER 20 26.372 -8.001 11.953 151 HG SER 20 HG SER 20 26.665 -7.127 9.914 152 H ASP 21 H ASP 21 25.729 -3.391 12.589 153 HA ASP 21 HA ASP 21 28.508 -2.415 12.292 154 1HB ASP 21 2HB ASP 21 26.695 -1.548 10.695 155 2HB ASP 21 1HB ASP 21 25.955 -0.791 12.086 156 H ALA 22 H ALA 22 29.378 -1.077 13.792 157 HA ALA 22 HA ALA 22 28.817 -1.446 16.488 158 1HB ALA 22 1HB ALA 22 30.349 0.785 15.135 159 2HB ALA 22 3HB ALA 22 30.268 0.593 16.890 160 3HB ALA 22 2HB ALA 22 30.981 -0.674 15.897 161 H SER 23 H SER 23 27.557 1.121 14.432 162 HA SER 23 HA SER 23 26.445 2.857 16.346 163 1HB SER 23 2HB SER 23 26.607 3.173 13.801 164 2HB SER 23 1HB SER 23 25.154 2.204 13.680 165 HG SER 23 HG SER 23 24.041 3.854 14.452 166 H PHE 24 H PHE 24 24.886 0.053 14.751 167 HA PHE 24 HA PHE 24 22.553 0.260 16.471 168 1HB PHE 24 2HB PHE 24 22.068 -0.290 14.190 169 2HB PHE 24 1HB PHE 24 23.290 -1.483 14.097 170 HD1 PHE 24 HD2 PHE 24 20.080 -0.762 15.922 171 HD2 PHE 24 HD1 PHE 24 22.717 -3.757 14.312 172 HE1 PHE 24 HE2 PHE 24 18.414 -2.509 16.441 173 HE2 PHE 24 HE1 PHE 24 21.048 -5.498 14.835 174 HZ PHE 24 HZ PHE 24 18.895 -4.882 15.898 175 H ASN 25 H ASN 25 25.476 -1.649 16.484 176 HA ASN 25 HA ASN 25 24.541 -3.631 18.364 177 1HB ASN 25 2HB ASN 25 27.124 -2.936 17.070 178 2HB ASN 25 1HB ASN 25 27.282 -3.566 18.696 179 1HD2 ASN 25 2HD2 ASN 25 26.871 -6.880 17.550 180 2HD2 ASN 25 1HD2 ASN 25 27.598 -5.842 18.673 181 H GLN 26 H GLN 26 26.264 -0.560 18.600 182 HA GLN 26 HA GLN 26 26.697 -0.602 21.436 183 1HB GLN 26 2HB GLN 26 26.705 1.698 19.458 184 2HB GLN 26 1HB GLN 26 26.987 1.937 21.167 185 1HG GLN 26 2HG GLN 26 28.662 0.123 19.418 186 2HG GLN 26 1HG GLN 26 29.017 1.814 19.689 187 1HE2 GLN 26 2HE2 GLN 26 30.180 -0.876 22.473 188 2HE2 GLN 26 1HE2 GLN 26 29.486 -1.394 21.019 189 H CYS 27 H CYS 27 24.326 1.153 19.435 190 HA CYS 27 HA CYS 27 22.760 2.392 21.411 191 1HB CYS 27 2HB CYS 27 22.460 2.486 18.872 192 2HB CYS 27 1HB CYS 27 21.621 0.966 18.984 193 H SER 28 H SER 28 22.389 -0.840 20.058 194 HA SER 28 HA SER 28 20.293 -1.807 21.721 195 1HB SER 28 2HB SER 28 22.452 -3.320 20.197 196 2HB SER 28 1HB SER 28 21.034 -4.052 20.918 197 HG SER 28 HG SER 28 21.303 -2.462 18.631 198 H THR 29 H THR 29 23.822 -1.775 22.248 199 HA THR 29 HA THR 29 23.808 -3.541 24.465 200 HB THR 29 HB THR 29 25.788 -2.258 22.921 201 HG1 THR 29 HG1 THR 29 26.033 -4.322 23.375 202 1HG2 THR 29 2HG2 THR 29 25.969 -0.567 24.849 203 2HG2 THR 29 1HG2 THR 29 26.518 -1.919 25.839 204 3HG2 THR 29 3HG2 THR 29 27.439 -1.422 24.422 205 H ASP 30 H ASP 30 23.718 0.011 24.448 206 HA ASP 30 HA ASP 30 23.701 0.289 27.263 207 1HB ASP 30 2HB ASP 30 22.940 2.621 26.799 208 2HB ASP 30 1HB ASP 30 24.470 2.172 26.123 209 H SER 31 H SER 31 20.998 0.359 24.955 210 HA SER 31 HA SER 31 19.195 0.283 27.327 211 1HB SER 31 2HB SER 31 18.851 2.030 25.427 212 2HB SER 31 1HB SER 31 18.150 0.683 24.544 213 HG SER 31 HG SER 31 16.616 0.477 26.167 214 H GLY 32 H GLY 32 19.303 -1.414 24.121 215 1HA GLY 32 2HA GLY 32 19.209 -3.864 24.072 216 2HA GLY 32 1HA GLY 32 18.254 -3.794 25.538 217 H TYR 33 H TYR 33 17.578 -1.739 22.740 218 HA TYR 33 HA TYR 33 14.942 -3.037 22.462 219 1HB TYR 33 2HB TYR 33 14.724 -0.657 22.740 220 2HB TYR 33 1HB TYR 33 16.001 -0.327 21.579 221 HD1 TYR 33 HD1 TYR 33 12.758 -2.292 21.617 222 HD2 TYR 33 HD2 TYR 33 15.286 0.518 19.572 223 HE1 TYR 33 HE1 TYR 33 11.106 -2.130 19.794 224 HE2 TYR 33 HE2 TYR 33 13.627 0.685 17.743 225 HH TYR 33 HH TYR 33 11.103 0.284 17.469 226 H SER 34 H SER 34 14.815 -4.582 21.003 227 HA SER 34 HA SER 34 16.699 -4.737 18.756 228 1HB SER 34 2HB SER 34 14.663 -6.814 19.628 229 2HB SER 34 1HB SER 34 16.011 -7.045 18.537 230 HG SER 34 HG SER 34 16.330 -7.749 20.778 231 H MET 35 H MET 35 15.954 -3.210 17.333 232 HA MET 35 HA MET 35 13.211 -3.036 16.487 233 1HB MET 35 2HB MET 35 13.910 -1.308 14.975 234 2HB MET 35 1HB MET 35 14.784 -1.106 16.475 235 1HG MET 35 2HG MET 35 16.672 -1.023 15.247 236 2HG MET 35 1HG MET 35 16.450 -2.729 14.885 237 1HE MET 35 1HE MET 35 14.904 0.699 14.079 238 2HE MET 35 3HE MET 35 16.489 0.909 13.309 239 3HE MET 35 2HE MET 35 15.030 0.842 12.332 240 H LEU 36 H LEU 36 15.895 -4.951 15.318 241 HA LEU 36 HA LEU 36 14.376 -5.727 12.907 242 1HB LEU 36 2HB LEU 36 17.280 -6.149 13.652 243 2HB LEU 36 1HB LEU 36 16.544 -6.722 12.159 244 HG LEU 36 HG LEU 36 16.458 -3.826 13.002 245 1HD1 LEU 36 2HD1 LEU 36 18.809 -4.652 12.774 246 2HD1 LEU 36 1HD1 LEU 36 18.433 -5.084 11.102 247 3HD1 LEU 36 3HD1 LEU 36 18.367 -3.400 11.612 248 1HD2 LEU 36 2HD2 LEU 36 16.100 -5.216 10.320 249 2HD2 LEU 36 1HD2 LEU 36 14.827 -4.441 11.267 250 3HD2 LEU 36 3HD2 LEU 36 16.117 -3.472 10.560 251 H THR 37 H THR 37 13.802 -6.760 15.738 252 HA THR 37 HA THR 37 13.617 -9.616 15.026 253 HB THR 37 HB THR 37 14.710 -8.449 17.611 254 HG1 THR 37 HG1 THR 37 15.843 -10.074 15.585 255 1HG2 THR 37 1HG2 THR 37 13.532 -11.120 17.048 256 2HG2 THR 37 3HG2 THR 37 14.952 -11.039 18.099 257 3HG2 THR 37 2HG2 THR 37 13.490 -10.141 18.514 258 H ALA 38 H ALA 38 12.731 -7.075 17.352 259 HA ALA 38 HA ALA 38 10.111 -8.213 17.985 260 1HB ALA 38 2HB ALA 38 11.754 -7.187 19.597 261 2HB ALA 38 1HB ALA 38 11.368 -5.632 18.873 262 3HB ALA 38 3HB ALA 38 10.100 -6.555 19.691 263 H LYS 39 H LYS 39 8.191 -6.925 17.852 264 HA LYS 39 HA LYS 39 8.116 -4.863 15.725 265 1HB LYS 39 2HB LYS 39 5.861 -5.766 15.140 266 2HB LYS 39 1HB LYS 39 7.187 -6.851 14.788 267 1HG LYS 39 2HG LYS 39 5.826 -7.174 17.432 268 2HG LYS 39 1HG LYS 39 4.903 -7.611 15.998 269 1HD LYS 39 2HD LYS 39 7.059 -8.919 15.309 270 2HD LYS 39 1HD LYS 39 7.465 -8.818 17.016 271 1HE LYS 39 2HE LYS 39 4.760 -9.822 16.131 272 2HE LYS 39 1HE LYS 39 6.153 -10.891 16.164 273 1HZ LYS 39 1HZ LYS 39 5.235 -9.296 18.504 274 2HZ LYS 39 3HZ LYS 39 4.812 -10.911 18.231 275 3HZ LYS 39 2HZ LYS 39 6.437 -10.503 18.487 276 H ALA 40 H ALA 40 8.416 -4.270 18.502 277 HA ALA 40 HA ALA 40 5.903 -2.775 19.062 278 1HB ALA 40 3HB ALA 40 7.634 -4.320 21.004 279 2HB ALA 40 2HB ALA 40 6.407 -3.159 21.502 280 3HB ALA 40 1HB ALA 40 5.937 -4.612 20.615 281 H LEU 41 H LEU 41 6.313 -0.584 19.189 282 HA LEU 41 HA LEU 41 8.975 0.471 19.146 283 1HB LEU 41 2HB LEU 41 6.272 1.796 19.443 284 2HB LEU 41 1HB LEU 41 7.759 2.723 19.535 285 HG LEU 41 HG LEU 41 6.978 0.970 17.183 286 1HD1 LEU 41 2HD1 LEU 41 5.478 2.937 17.431 287 2HD1 LEU 41 1HD1 LEU 41 6.893 3.994 17.392 288 3HD1 LEU 41 3HD1 LEU 41 6.480 3.013 15.986 289 1HD2 LEU 41 1HD2 LEU 41 9.307 2.778 17.785 290 2HD2 LEU 41 3HD2 LEU 41 9.295 1.172 17.057 291 3HD2 LEU 41 2HD2 LEU 41 8.768 2.567 16.117 292 HA PRO 42 HA PRO 42 9.769 0.611 23.442 293 1HB PRO 42 2HB PRO 42 11.888 2.328 23.516 294 2HB PRO 42 1HB PRO 42 11.957 0.629 23.000 295 1HG PRO 42 2HG PRO 42 12.081 3.076 21.346 296 2HG PRO 42 1HG PRO 42 12.673 1.441 21.013 297 1HD PRO 42 2HD PRO 42 10.290 2.585 19.986 298 2HD PRO 42 1HD PRO 42 10.810 0.893 19.856 299 H THR 43 H THR 43 9.450 1.657 25.339 300 HA THR 43 HA THR 43 7.557 3.729 25.469 301 HB THR 43 HB THR 43 9.323 2.995 27.796 302 HG1 THR 43 HG1 THR 43 8.332 1.095 27.974 303 1HG2 THR 43 1HG2 THR 43 6.454 3.894 27.532 304 2HG2 THR 43 3HG2 THR 43 7.080 3.139 28.998 305 3HG2 THR 43 2HG2 THR 43 7.765 4.659 28.436 306 H THR 44 H THR 44 7.650 5.765 26.404 307 HA THR 44 HA THR 44 9.326 7.620 25.289 308 HB THR 44 HB THR 44 7.155 8.098 26.313 309 HG1 THR 44 HG1 THR 44 9.211 9.815 27.218 310 1HG2 THR 44 3HG2 THR 44 8.596 8.020 28.980 311 2HG2 THR 44 2HG2 THR 44 6.998 8.693 28.717 312 3HG2 THR 44 1HG2 THR 44 7.272 6.977 28.458 313 H ALA 45 H ALA 45 9.927 5.944 28.322 314 HA ALA 45 HA ALA 45 12.137 7.499 29.260 315 1HB ALA 45 3HB ALA 45 11.411 4.556 29.687 316 2HB ALA 45 2HB ALA 45 12.727 5.358 30.538 317 3HB ALA 45 1HB ALA 45 11.065 5.889 30.785 318 H GLN 46 H GLN 46 12.097 4.330 27.524 319 HA GLN 46 HA GLN 46 14.807 4.160 26.892 320 1HB GLN 46 2HB GLN 46 12.363 3.133 25.399 321 2HB GLN 46 1HB GLN 46 14.001 2.850 24.805 322 1HG GLN 46 2HG GLN 46 14.361 2.142 27.369 323 2HG GLN 46 1HG GLN 46 12.663 1.736 27.217 324 1HE2 GLN 46 2HE2 GLN 46 14.362 -1.362 26.332 325 2HE2 GLN 46 1HE2 GLN 46 13.939 -0.473 27.714 326 H TYR 47 H TYR 47 12.263 5.917 25.201 327 HA TYR 47 HA TYR 47 13.673 6.767 22.922 328 1HB TYR 47 2HB TYR 47 11.277 7.748 24.383 329 2HB TYR 47 1HB TYR 47 12.095 8.953 23.421 330 HD1 TYR 47 HD1 TYR 47 12.797 8.010 20.934 331 HD2 TYR 47 HD2 TYR 47 9.586 6.568 23.397 332 HE1 TYR 47 HE1 TYR 47 11.657 7.116 18.942 333 HE2 TYR 47 HE2 TYR 47 8.448 5.673 21.411 334 HH TYR 47 HH TYR 47 8.420 5.728 19.038 335 H LYS 48 H LYS 48 13.443 8.383 26.149 336 HA LYS 48 HA LYS 48 15.170 10.473 25.314 337 1HB LYS 48 2HB LYS 48 15.521 11.064 27.782 338 2HB LYS 48 1HB LYS 48 13.932 11.276 27.097 339 1HG LYS 48 2HG LYS 48 13.346 9.009 28.118 340 2HG LYS 48 1HG LYS 48 14.887 9.127 29.000 341 1HD LYS 48 2HD LYS 48 14.103 11.490 29.653 342 2HD LYS 48 1HD LYS 48 12.515 10.962 29.117 343 1HE LYS 48 2HE LYS 48 12.148 9.864 31.042 344 2HE LYS 48 1HE LYS 48 13.637 8.950 30.856 345 1HZ LYS 48 2HZ LYS 48 13.415 11.682 32.030 346 2HZ LYS 48 1HZ LYS 48 13.637 10.254 32.914 347 3HZ LYS 48 3HZ LYS 48 14.853 10.797 31.872 348 H LEU 49 H LEU 49 16.084 7.636 27.319 349 HA LEU 49 HA LEU 49 18.811 8.298 27.509 350 1HB LEU 49 2HB LEU 49 17.506 5.557 27.228 351 2HB LEU 49 1HB LEU 49 19.130 5.860 27.815 352 HG LEU 49 HG LEU 49 18.158 5.697 29.682 353 1HD1 LEU 49 2HD1 LEU 49 17.348 8.551 29.275 354 2HD1 LEU 49 1HD1 LEU 49 17.271 7.733 30.833 355 3HD1 LEU 49 3HD1 LEU 49 18.826 7.941 30.027 356 1HD2 LEU 49 1HD2 LEU 49 15.786 5.482 28.423 357 2HD2 LEU 49 3HD2 LEU 49 16.033 5.302 30.160 358 3HD2 LEU 49 2HD2 LEU 49 15.499 6.848 29.506 359 H MET 50 H MET 50 16.964 6.702 24.925 360 HA MET 50 HA MET 50 19.107 6.031 23.143 361 1HB MET 50 2HB MET 50 16.128 6.472 22.798 362 2HB MET 50 1HB MET 50 17.147 6.292 21.382 363 1HG MET 50 2HG MET 50 17.796 4.075 22.012 364 2HG MET 50 1HG MET 50 17.128 4.266 23.631 365 1HE MET 50 1HE MET 50 16.831 3.797 20.078 366 2HE MET 50 3HE MET 50 15.356 2.837 19.858 367 3HE MET 50 2HE MET 50 15.305 4.583 19.700 368 H CYS 51 H CYS 51 17.111 8.944 23.641 369 HA CYS 51 HA CYS 51 18.297 10.441 21.445 370 1HB CYS 51 2HB CYS 51 15.891 10.558 22.735 371 2HB CYS 51 1HB CYS 51 16.747 11.855 23.559 372 H ALA 52 H ALA 52 19.894 9.452 23.994 373 HA ALA 52 HA ALA 52 21.421 11.906 24.543 374 1HB ALA 52 3HB ALA 52 19.936 11.234 26.424 375 2HB ALA 52 2HB ALA 52 20.770 9.685 26.485 376 3HB ALA 52 1HB ALA 52 21.649 11.170 26.837 377 H SER 53 H SER 53 21.593 8.538 23.557 378 HA SER 53 HA SER 53 24.466 8.256 24.089 379 1HB SER 53 2HB SER 53 23.985 5.870 23.277 380 2HB SER 53 1HB SER 53 23.201 6.374 24.754 381 HG SER 53 HG SER 53 21.563 5.546 23.578 382 H THR 54 H THR 54 25.996 8.259 22.585 383 HA THR 54 HA THR 54 25.816 9.621 20.155 384 HB THR 54 HB THR 54 28.054 8.653 19.625 385 HG1 THR 54 HG1 THR 54 28.121 6.646 20.426 386 1HG2 THR 54 2HG2 THR 54 27.791 10.596 21.140 387 2HG2 THR 54 1HG2 THR 54 27.814 9.489 22.514 388 3HG2 THR 54 3HG2 THR 54 29.238 9.643 21.478 389 H ALA 55 H ALA 55 26.011 6.141 20.618 390 HA ALA 55 HA ALA 55 26.013 5.118 18.035 391 1HB ALA 55 1HB ALA 55 26.254 3.801 20.118 392 2HB ALA 55 3HB ALA 55 24.510 3.943 20.356 393 3HB ALA 55 2HB ALA 55 25.128 3.093 18.947 394 H CYS 56 H CYS 56 23.114 5.632 19.997 395 HA CYS 56 HA CYS 56 21.292 4.872 18.000 396 1HB CYS 56 2HB CYS 56 20.703 6.724 20.338 397 2HB CYS 56 1HB CYS 56 19.512 5.741 19.476 398 H ASN 57 H ASN 57 22.488 8.091 18.829 399 HA ASN 57 HA ASN 57 20.993 9.703 16.987 400 1HB ASN 57 2HB ASN 57 23.704 10.025 18.229 401 2HB ASN 57 1HB ASN 57 23.165 11.110 16.951 402 1HD2 ASN 57 2HD2 ASN 57 20.749 11.590 20.210 403 2HD2 ASN 57 1HD2 ASN 57 20.745 10.082 19.461 404 H THR 58 H THR 58 24.038 7.953 16.611 405 HA THR 58 HA THR 58 24.664 8.727 14.003 406 HB THR 58 HB THR 58 25.299 6.108 15.407 407 HG1 THR 58 HG1 THR 58 26.951 7.121 16.228 408 1HG2 THR 58 3HG2 THR 58 25.535 6.040 12.865 409 2HG2 THR 58 2HG2 THR 58 26.806 7.240 13.035 410 3HG2 THR 58 1HG2 THR 58 26.969 5.663 13.800 411 H MET 59 H MET 59 22.719 5.987 15.088 412 HA MET 59 HA MET 59 22.072 4.686 12.694 413 1HB MET 59 2HB MET 59 20.258 5.068 15.051 414 2HB MET 59 1HB MET 59 20.038 3.894 13.773 415 1HG MET 59 2HG MET 59 22.207 2.838 14.560 416 2HG MET 59 1HG MET 59 22.200 3.959 15.910 417 1HE MET 59 1HE MET 59 19.179 4.276 16.699 418 2HE MET 59 3HE MET 59 18.458 3.413 15.326 419 3HE MET 59 2HE MET 59 18.259 2.803 16.957 420 H ILE 60 H ILE 60 19.997 6.952 14.443 421 HA ILE 60 HA ILE 60 18.073 7.203 12.363 422 HB ILE 60 HB ILE 60 18.433 8.966 14.786 423 1HG1 ILE 60 2HG1 ILE 60 18.017 6.557 15.300 424 2HG1 ILE 60 1HG1 ILE 60 16.759 7.591 15.890 425 1HG2 ILE 60 3HG2 ILE 60 16.994 9.947 12.913 426 2HG2 ILE 60 2HG2 ILE 60 15.871 8.624 13.217 427 3HG2 ILE 60 1HG2 ILE 60 16.239 9.776 14.492 428 1HD1 ILE 60 2HD1 ILE 60 16.169 6.611 13.201 429 2HD1 ILE 60 1HD1 ILE 60 16.480 5.305 14.345 430 3HD1 ILE 60 3HD1 ILE 60 15.221 6.488 14.683 431 H LYS 61 H LYS 61 20.305 9.724 13.528 432 HA LYS 61 HA LYS 61 19.828 11.610 11.507 433 1HB LYS 61 2HB LYS 61 22.566 11.073 12.709 434 2HB LYS 61 1HB LYS 61 22.085 12.536 11.852 435 1HG LYS 61 2HG LYS 61 20.279 11.862 14.059 436 2HG LYS 61 1HG LYS 61 21.938 12.083 14.587 437 1HD LYS 61 2HD LYS 61 21.499 14.298 14.619 438 2HD LYS 61 1HD LYS 61 21.527 14.240 12.861 439 1HE LYS 61 2HE LYS 61 19.117 13.882 12.793 440 2HE LYS 61 1HE LYS 61 19.063 13.739 14.547 441 1HZ LYS 61 1HZ LYS 61 19.839 16.058 14.696 442 2HZ LYS 61 3HZ LYS 61 19.799 16.186 13.010 443 3HZ LYS 61 2HZ LYS 61 18.364 15.935 13.874 444 H LYS 62 H LYS 62 21.859 8.745 11.231 445 HA LYS 62 HA LYS 62 22.970 9.363 8.644 446 1HB LYS 62 2HB LYS 62 23.972 7.654 10.094 447 2HB LYS 62 1HB LYS 62 22.495 6.713 10.052 448 1HG LYS 62 2HG LYS 62 22.866 6.502 7.534 449 2HG LYS 62 1HG LYS 62 24.473 7.188 7.813 450 1HD LYS 62 2HD LYS 62 25.257 5.347 8.897 451 2HD LYS 62 1HD LYS 62 23.720 5.006 9.668 452 1HE LYS 62 2HE LYS 62 23.796 3.235 8.204 453 2HE LYS 62 1HE LYS 62 22.968 4.411 7.193 454 1HZ LYS 62 1HZ LYS 62 25.448 5.023 6.555 455 2HZ LYS 62 3HZ LYS 62 25.722 3.428 7.044 456 3HZ LYS 62 2HZ LYS 62 24.626 3.759 5.786 457 H ILE 63 H ILE 63 20.239 7.322 9.603 458 HA ILE 63 HA ILE 63 19.232 6.676 7.011 459 HB ILE 63 HB ILE 63 17.782 6.964 9.661 460 1HG1 ILE 63 2HG1 ILE 63 19.721 5.226 9.286 461 2HG1 ILE 63 1HG1 ILE 63 18.277 4.779 10.153 462 1HG2 ILE 63 3HG2 ILE 63 16.780 5.885 7.058 463 2HG2 ILE 63 2HG2 ILE 63 16.151 5.281 8.585 464 3HG2 ILE 63 1HG2 ILE 63 16.005 6.991 8.190 465 1HD1 ILE 63 3HD1 ILE 63 18.320 4.281 7.208 466 2HD1 ILE 63 2HD1 ILE 63 19.340 3.260 8.226 467 3HD1 ILE 63 1HD1 ILE 63 17.601 3.320 8.499 468 H VAL 64 H VAL 64 18.741 9.547 9.041 469 HA VAL 64 HA VAL 64 16.628 10.749 7.507 470 HB VAL 64 HB VAL 64 18.524 12.022 9.477 471 1HG1 VAL 64 3HG1 VAL 64 16.204 12.980 7.985 472 2HG1 VAL 64 2HG1 VAL 64 15.985 13.191 9.713 473 3HG1 VAL 64 1HG1 VAL 64 17.382 13.905 8.912 474 1HG2 VAL 64 1HG2 VAL 64 16.810 9.934 10.106 475 2HG2 VAL 64 3HG2 VAL 64 17.366 11.147 11.245 476 3HG2 VAL 64 2HG2 VAL 64 15.813 11.332 10.448 477 H THR 65 H THR 65 20.118 11.355 7.716 478 HA THR 65 HA THR 65 20.272 13.493 5.897 479 HB THR 65 HB THR 65 22.676 12.617 5.559 480 HG1 THR 65 HG1 THR 65 22.994 10.716 6.346 481 1HG2 THR 65 2HG2 THR 65 21.654 13.523 8.228 482 2HG2 THR 65 1HG2 THR 65 23.369 13.410 7.844 483 3HG2 THR 65 3HG2 THR 65 22.334 14.516 6.939 484 H LEU 66 H LEU 66 20.343 10.009 5.364 485 HA LEU 66 HA LEU 66 21.023 10.031 2.594 486 1HB LEU 66 2HB LEU 66 19.277 7.994 4.012 487 2HB LEU 66 1HB LEU 66 19.965 7.815 2.417 488 HG LEU 66 HG LEU 66 21.342 7.760 5.095 489 1HD1 LEU 66 3HD1 LEU 66 21.184 5.876 2.740 490 2HD1 LEU 66 2HD1 LEU 66 22.234 5.621 4.133 491 3HD1 LEU 66 1HD1 LEU 66 20.482 5.656 4.343 492 1HD2 LEU 66 1HD2 LEU 66 22.703 7.922 2.373 493 2HD2 LEU 66 3HD2 LEU 66 22.791 9.153 3.634 494 3HD2 LEU 66 2HD2 LEU 66 23.511 7.569 3.901 495 H ASN 67 H ASN 67 17.939 10.373 4.270 496 HA ASN 67 HA ASN 67 15.842 10.932 3.653 497 1HB ASN 67 2HB ASN 67 17.648 12.517 1.953 498 2HB ASN 67 1HB ASN 67 16.045 12.334 1.265 499 1HD2 ASN 67 2HD2 ASN 67 16.510 14.987 4.211 500 2HD2 ASN 67 1HD2 ASN 67 17.835 14.324 3.380 501 HA PRO 68 HA PRO 68 15.476 7.329 0.761 502 1HB PRO 68 2HB PRO 68 13.793 5.903 2.344 503 2HB PRO 68 1HB PRO 68 15.560 5.867 2.501 504 1HG PRO 68 2HG PRO 68 13.563 7.283 4.198 505 2HG PRO 68 1HG PRO 68 15.093 6.520 4.669 506 1HD PRO 68 2HD PRO 68 14.772 9.244 4.338 507 2HD PRO 68 1HD PRO 68 16.329 8.397 4.219 508 HA PRO 69 HA PRO 69 11.482 8.410 -0.893 509 1HB PRO 69 2HB PRO 69 10.473 6.070 -1.857 510 2HB PRO 69 1HB PRO 69 11.817 6.947 -2.612 511 1HG PRO 69 2HG PRO 69 11.889 4.463 -0.991 512 2HG PRO 69 1HG PRO 69 12.986 5.007 -2.271 513 1HD PRO 69 2HD PRO 69 13.519 5.152 0.476 514 2HD PRO 69 1HD PRO 69 14.395 6.023 -0.801 515 H ASN 70 H ASN 70 9.227 8.455 -0.528 516 HA ASN 70 HA ASN 70 8.369 7.600 2.127 517 1HB ASN 70 2HB ASN 70 6.129 8.719 0.716 518 2HB ASN 70 1HB ASN 70 6.983 9.353 2.096 519 1HD2 ASN 70 2HD2 ASN 70 7.695 10.924 -1.621 520 2HD2 ASN 70 1HD2 ASN 70 6.916 9.420 -1.517 521 H CYS 71 H CYS 71 7.924 5.523 2.295 522 HA CYS 71 HA CYS 71 5.564 4.372 1.331 523 1HB CYS 71 2HB CYS 71 6.495 2.564 -0.128 524 2HB CYS 71 1HB CYS 71 6.491 4.159 -0.853 525 H ASP 72 H ASP 72 5.089 2.391 2.278 526 HA ASP 72 HA ASP 72 6.393 1.776 4.719 527 1HB ASP 72 2HB ASP 72 4.379 0.185 3.150 528 2HB ASP 72 1HB ASP 72 4.988 -0.306 4.711 529 H LEU 73 H LEU 73 7.774 0.185 5.408 530 HA LEU 73 HA LEU 73 8.903 -1.620 3.351 531 1HB LEU 73 2HB LEU 73 10.278 0.445 4.612 532 2HB LEU 73 1HB LEU 73 10.681 -0.935 5.608 533 HG LEU 73 HG LEU 73 12.341 -0.635 3.880 534 1HD1 LEU 73 3HD1 LEU 73 11.797 -2.942 4.564 535 2HD1 LEU 73 2HD1 LEU 73 10.665 -3.058 3.217 536 3HD1 LEU 73 1HD1 LEU 73 12.388 -2.843 2.904 537 1HD2 LEU 73 3HD2 LEU 73 9.959 -0.643 2.037 538 2HD2 LEU 73 2HD2 LEU 73 11.332 0.456 2.072 539 3HD2 LEU 73 1HD2 LEU 73 11.530 -1.177 1.446 540 H THR 74 H THR 74 8.008 -3.524 3.817 541 HA THR 74 HA THR 74 7.129 -4.379 6.402 542 HB THR 74 HB THR 74 7.832 -6.342 4.265 543 HG1 THR 74 HG1 THR 74 5.568 -4.611 4.185 544 1HG2 THR 74 3HG2 THR 74 6.835 -7.153 6.391 545 2HG2 THR 74 2HG2 THR 74 5.363 -6.256 6.000 546 3HG2 THR 74 1HG2 THR 74 5.904 -7.566 4.956 547 H VAL 75 H VAL 75 8.014 -5.867 7.797 548 HA VAL 75 HA VAL 75 10.949 -6.284 7.620 549 HB VAL 75 HB VAL 75 9.241 -6.210 10.130 550 1HG1 VAL 75 2HG1 VAL 75 12.250 -6.164 9.722 551 2HG1 VAL 75 1HG1 VAL 75 11.439 -5.921 11.266 552 3HG1 VAL 75 3HG1 VAL 75 11.314 -7.474 10.442 553 1HG2 VAL 75 1HG2 VAL 75 11.011 -4.088 8.875 554 2HG2 VAL 75 3HG2 VAL 75 9.268 -3.997 9.113 555 3HG2 VAL 75 2HG2 VAL 75 10.345 -3.989 10.506 556 HA PRO 76 HA PRO 76 9.695 -10.598 7.265 557 1HB PRO 76 2HB PRO 76 12.133 -11.595 6.594 558 2HB PRO 76 1HB PRO 76 11.035 -10.799 5.452 559 1HG PRO 76 2HG PRO 76 13.532 -9.759 6.669 560 2HG PRO 76 1HG PRO 76 12.760 -9.336 5.130 561 1HD PRO 76 2HD PRO 76 12.644 -7.803 7.476 562 2HD PRO 76 1HD PRO 76 11.617 -7.604 6.044 563 H THR 77 H THR 77 12.024 -9.379 9.594 564 HA THR 77 HA THR 77 12.504 -11.905 10.950 565 HB THR 77 HB THR 77 13.488 -10.250 12.695 566 HG1 THR 77 HG1 THR 77 14.077 -8.222 11.691 567 1HG2 THR 77 3HG2 THR 77 14.666 -11.623 10.811 568 2HG2 THR 77 2HG2 THR 77 14.909 -10.031 10.079 569 3HG2 THR 77 1HG2 THR 77 15.549 -10.373 11.689 570 H SER 78 H SER 78 11.083 -8.812 12.031 571 HA SER 78 HA SER 78 9.673 -10.032 14.226 572 1HB SER 78 2HB SER 78 8.851 -7.878 14.781 573 2HB SER 78 1HB SER 78 10.481 -7.643 14.225 574 HG SER 78 HG SER 78 9.691 -6.552 12.521 575 H GLY 79 H GLY 79 8.595 -8.943 11.048 576 1HA GLY 79 2HA GLY 79 6.842 -10.162 9.878 577 2HA GLY 79 1HA GLY 79 6.057 -10.446 11.420 578 H LEU 80 H LEU 80 6.777 -7.353 11.924 579 HA LEU 80 HA LEU 80 4.223 -6.326 10.914 580 1HB LEU 80 2HB LEU 80 5.491 -6.126 13.301 581 2HB LEU 80 1HB LEU 80 6.004 -4.624 12.559 582 HG LEU 80 HG LEU 80 3.254 -4.749 12.021 583 1HD1 LEU 80 2HD1 LEU 80 3.836 -5.685 14.846 584 2HD1 LEU 80 1HD1 LEU 80 2.286 -5.060 14.302 585 3HD1 LEU 80 3HD1 LEU 80 2.917 -6.555 13.616 586 1HD2 LEU 80 1HD2 LEU 80 4.766 -2.807 12.772 587 2HD2 LEU 80 3HD2 LEU 80 3.127 -2.828 13.421 588 3HD2 LEU 80 2HD2 LEU 80 4.475 -3.364 14.419 589 H VAL 81 H VAL 81 4.331 -3.880 10.360 590 HA VAL 81 HA VAL 81 6.176 -3.479 8.079 591 HB VAL 81 HB VAL 81 3.544 -2.169 8.829 592 1HG1 VAL 81 2HG1 VAL 81 5.378 -1.634 6.487 593 2HG1 VAL 81 1HG1 VAL 81 3.668 -1.208 6.480 594 3HG1 VAL 81 3HG1 VAL 81 4.753 -0.480 7.662 595 1HG2 VAL 81 1HG2 VAL 81 3.302 -4.463 7.963 596 2HG2 VAL 81 3HG2 VAL 81 2.689 -3.287 6.801 597 3HG2 VAL 81 2HG2 VAL 81 4.262 -4.034 6.548 598 H LEU 82 H LEU 82 7.693 -1.925 8.103 599 HA LEU 82 HA LEU 82 7.714 0.155 10.225 600 1HB LEU 82 2HB LEU 82 9.379 -1.596 10.731 601 2HB LEU 82 1HB LEU 82 10.054 -1.414 9.121 602 HG LEU 82 HG LEU 82 10.713 0.911 9.675 603 1HD1 LEU 82 3HD1 LEU 82 9.653 0.218 12.428 604 2HD1 LEU 82 2HD1 LEU 82 10.670 1.614 12.071 605 3HD1 LEU 82 1HD1 LEU 82 9.061 1.492 11.362 606 1HD2 LEU 82 1HD2 LEU 82 12.151 -1.179 10.163 607 2HD2 LEU 82 3HD2 LEU 82 12.610 0.331 10.954 608 3HD2 LEU 82 2HD2 LEU 82 11.734 -0.906 11.853 609 H ASN 83 H ASN 83 7.460 2.071 9.309 610 HA ASN 83 HA ASN 83 8.179 2.579 6.504 611 1HB ASN 83 2HB ASN 83 6.005 3.367 7.767 612 2HB ASN 83 1HB ASN 83 7.038 4.614 8.425 613 1HD2 ASN 83 2HD2 ASN 83 5.249 5.589 5.172 614 2HD2 ASN 83 1HD2 ASN 83 4.666 4.714 6.497 615 H VAL 84 H VAL 84 10.390 2.603 6.479 616 HA VAL 84 HA VAL 84 12.138 3.821 8.347 617 HB VAL 84 HB VAL 84 12.680 3.282 5.395 618 1HG1 VAL 84 2HG1 VAL 84 14.620 3.676 7.696 619 2HG1 VAL 84 1HG1 VAL 84 15.068 3.166 6.073 620 3HG1 VAL 84 3HG1 VAL 84 14.392 4.772 6.336 621 1HG2 VAL 84 3HG2 VAL 84 13.172 1.573 7.852 622 2HG2 VAL 84 2HG2 VAL 84 12.092 1.198 6.511 623 3HG2 VAL 84 1HG2 VAL 84 13.833 1.230 6.256 624 H TYR 85 H TYR 85 10.453 5.254 5.612 625 HA TYR 85 HA TYR 85 11.912 7.724 5.477 626 1HB TYR 85 2HB TYR 85 10.314 6.944 3.698 627 2HB TYR 85 1HB TYR 85 8.985 7.194 4.793 628 HD1 TYR 85 HD1 TYR 85 11.932 9.118 3.424 629 HD2 TYR 85 HD2 TYR 85 7.848 9.206 4.744 630 HE1 TYR 85 HE1 TYR 85 11.788 11.504 2.798 631 HE2 TYR 85 HE2 TYR 85 7.697 11.594 4.119 632 HH TYR 85 HH TYR 85 10.341 13.523 3.508 633 H SER 86 H SER 86 8.697 7.052 6.870 634 HA SER 86 HA SER 86 8.588 9.457 8.412 635 1HB SER 86 2HB SER 86 6.589 8.701 9.425 636 2HB SER 86 1HB SER 86 6.564 7.961 7.844 637 HG SER 86 HG SER 86 6.051 6.515 9.598 638 H TYR 87 H TYR 87 10.212 6.523 9.137 639 HA TYR 87 HA TYR 87 10.498 6.757 11.961 640 1HB TYR 87 2HB TYR 87 11.106 4.781 10.426 641 2HB TYR 87 1HB TYR 87 12.542 5.652 10.037 642 HD1 TYR 87 HD1 TYR 87 10.877 5.483 13.441 643 HD2 TYR 87 HD2 TYR 87 14.209 4.471 10.944 644 HE1 TYR 87 HE1 TYR 87 12.118 4.665 15.427 645 HE2 TYR 87 HE2 TYR 87 15.466 3.646 12.923 646 HH TYR 87 HH TYR 87 14.925 4.394 15.885 647 H ALA 88 H ALA 88 12.603 7.748 9.262 648 HA ALA 88 HA ALA 88 14.701 8.903 10.749 649 1HB ALA 88 1HB ALA 88 14.352 8.315 8.174 650 2HB ALA 88 3HB ALA 88 13.981 10.039 8.083 651 3HB ALA 88 2HB ALA 88 15.548 9.488 8.697 652 H ASN 89 H ASN 89 12.198 10.746 9.045 653 HA ASN 89 HA ASN 89 12.747 13.145 10.534 654 1HB ASN 89 2HB ASN 89 10.443 13.957 9.573 655 2HB ASN 89 1HB ASN 89 11.800 13.754 8.496 656 1HD2 ASN 89 2HD2 ASN 89 10.206 11.257 6.583 657 2HD2 ASN 89 1HD2 ASN 89 11.622 12.156 6.823 658 H GLY 90 H GLY 90 10.557 10.498 11.168 659 1HA GLY 90 2HA GLY 90 8.807 11.770 13.028 660 2HA GLY 90 1HA GLY 90 9.057 10.044 12.851 661 H PHE 91 H PHE 91 11.628 9.607 13.621 662 HA PHE 91 HA PHE 91 11.703 9.576 16.405 663 1HB PHE 91 2HB PHE 91 13.350 8.399 14.671 664 2HB PHE 91 1HB PHE 91 14.287 9.851 14.886 665 HD1 PHE 91 HD1 PHE 91 12.936 6.853 16.606 666 HD2 PHE 91 HD2 PHE 91 15.476 10.302 16.927 667 HE1 PHE 91 HE1 PHE 91 13.926 5.936 18.688 668 HE2 PHE 91 HE2 PHE 91 16.462 9.383 19.005 669 HZ PHE 91 HZ PHE 91 15.691 7.203 19.890 670 H SER 92 H SER 92 13.497 11.901 14.348 671 HA SER 92 HA SER 92 14.491 13.521 16.434 672 1HB SER 92 2HB SER 92 13.885 14.366 13.572 673 2HB SER 92 1HB SER 92 14.796 15.300 14.736 674 HG SER 92 HG SER 92 15.456 12.949 13.355 675 H ASN 93 H ASN 93 11.444 14.004 14.583 676 HA ASN 93 HA ASN 93 10.651 16.415 15.847 677 1HB ASN 93 2HB ASN 93 9.657 15.346 13.753 678 2HB ASN 93 1HB ASN 93 8.765 14.274 14.809 679 1HD2 ASN 93 2HD2 ASN 93 6.158 16.652 14.683 680 2HD2 ASN 93 1HD2 ASN 93 6.643 15.053 14.382 681 H LYS 94 H LYS 94 9.693 13.043 16.694 682 HA LYS 94 HA LYS 94 8.365 13.941 19.090 683 1HB LYS 94 2HB LYS 94 8.145 11.535 19.713 684 2HB LYS 94 1HB LYS 94 7.514 11.918 18.127 685 1HG LYS 94 2HG LYS 94 10.139 11.146 17.605 686 2HG LYS 94 1HG LYS 94 9.650 10.091 18.929 687 1HD LYS 94 2HD LYS 94 7.464 9.763 17.519 688 2HD LYS 94 1HD LYS 94 8.463 10.314 16.175 689 1HE LYS 94 2HE LYS 94 10.145 8.569 16.731 690 2HE LYS 94 1HE LYS 94 9.099 8.009 18.021 691 1HZ LYS 94 3HZ LYS 94 7.384 7.598 16.202 692 2HZ LYS 94 2HZ LYS 94 8.648 7.847 15.087 693 3HZ LYS 94 1HZ LYS 94 8.748 6.601 16.238 694 H CYS 95 H CYS 95 11.679 13.314 18.445 695 HA CYS 95 HA CYS 95 12.511 12.666 21.134 696 1HB CYS 95 2HB CYS 95 13.811 12.845 18.564 697 2HB CYS 95 1HB CYS 95 14.671 13.882 19.679 698 H SER 96 H SER 96 12.338 15.664 19.191 699 HA SER 96 HA SER 96 13.489 17.327 21.247 700 1HB SER 96 2HB SER 96 12.620 19.252 19.823 701 2HB SER 96 1HB SER 96 13.684 18.160 18.982 702 HG SER 96 HG SER 96 10.926 18.614 18.714 703 H SER 97 H SER 97 10.203 16.585 20.195 704 HA SER 97 HA SER 97 8.949 18.198 22.284 705 1HB SER 97 2HB SER 97 7.675 16.245 20.353 706 2HB SER 97 1HB SER 97 6.839 17.401 21.368 707 HG SER 97 HG SER 97 7.165 18.181 19.229 708 H LEU 98 HN LEU 98 10.268 15.071 22.366 709 HA LEU 98 HA LEU 98 8.716 13.314 23.702 710 1HB LEU 98 2HB LEU 98 11.142 13.171 22.973 711 2HB LEU 98 1HB LEU 98 11.557 13.906 24.488 712 HG LEU 98 HG LEU 98 11.851 11.423 24.281 713 1HD1 LEU 98 1HD1 LEU 98 11.431 12.740 26.497 714 2HD1 LEU 98 3HD1 LEU 98 9.919 11.829 26.512 715 3HD1 LEU 98 2HD1 LEU 98 11.463 10.975 26.487 716 1HD2 LEU 98 2HD2 LEU 98 9.686 10.979 23.075 717 2HD2 LEU 98 1HD2 LEU 98 9.996 9.922 24.451 718 3HD2 LEU 98 3HD2 LEU 98 8.853 11.254 24.609 No H/Q in entry = 718 Start of MODEL 8 1 1H THR 1 1H THR 1 2.231 -3.660 0.776 2 2H THR 1 3H THR 1 2.481 -3.771 2.446 3 3H THR 1 2H THR 1 1.867 -2.334 1.767 4 HA THR 1 HA THR 1 4.154 -2.015 2.318 5 HB THR 1 HB THR 1 4.507 -4.498 0.610 6 HG1 THR 1 HG1 THR 1 5.393 -4.093 3.277 7 1HG2 THR 1 2HG2 THR 1 6.467 -2.369 1.176 8 2HG2 THR 1 1HG2 THR 1 7.016 -3.979 1.641 9 3HG2 THR 1 3HG2 THR 1 6.510 -3.665 -0.016 10 H ALA 2 H ALA 2 4.648 -0.194 1.284 11 HA ALA 2 HA ALA 2 3.695 0.230 -1.460 12 1HB ALA 2 3HB ALA 2 4.050 1.928 0.825 13 2HB ALA 2 2HB ALA 2 5.004 2.583 -0.511 14 3HB ALA 2 1HB ALA 2 3.280 2.292 -0.715 15 H CYS 3 H CYS 3 6.813 -0.074 0.188 16 HA CYS 3 HA CYS 3 8.344 0.820 -2.092 17 1HB CYS 3 2HB CYS 3 9.755 -1.173 -0.447 18 2HB CYS 3 1HB CYS 3 10.277 0.378 -1.001 19 H THR 4 H THR 4 9.086 -0.232 -3.800 20 HA THR 4 HA THR 4 8.933 -3.152 -4.016 21 HB THR 4 HB THR 4 7.409 -1.157 -5.688 22 HG1 THR 4 HG1 THR 4 6.734 -3.165 -3.974 23 1HG2 THR 4 2HG2 THR 4 8.190 -3.931 -6.577 24 2HG2 THR 4 1HG2 THR 4 6.914 -2.960 -7.320 25 3HG2 THR 4 3HG2 THR 4 8.589 -2.406 -7.368 26 H ALA 5 H ALA 5 10.542 -3.992 -5.107 27 HA ALA 5 HA ALA 5 12.621 -4.258 -5.884 28 1HB ALA 5 3HB ALA 5 11.436 -2.445 -7.988 29 2HB ALA 5 2HB ALA 5 12.958 -3.306 -8.200 30 3HB ALA 5 1HB ALA 5 11.463 -4.208 -7.972 31 H THR 6 H THR 6 12.724 -0.954 -7.136 32 HA THR 6 HA THR 6 15.294 -0.350 -6.176 33 HB THR 6 HB THR 6 14.668 2.048 -6.730 34 HG1 THR 6 HG1 THR 6 12.662 2.508 -7.060 35 1HG2 THR 6 1HG2 THR 6 15.459 0.081 -8.317 36 2HG2 THR 6 3HG2 THR 6 13.875 0.340 -9.046 37 3HG2 THR 6 2HG2 THR 6 15.036 1.665 -8.956 38 H GLN 7 H GLN 7 12.179 0.890 -4.946 39 HA GLN 7 HA GLN 7 13.209 2.355 -2.752 40 1HB GLN 7 2HB GLN 7 10.519 1.056 -3.222 41 2HB GLN 7 1HB GLN 7 10.863 1.912 -1.727 42 1HG GLN 7 2HG GLN 7 10.772 3.951 -2.712 43 2HG GLN 7 1HG GLN 7 11.630 3.404 -4.148 44 1HE2 GLN 7 2HE2 GLN 7 7.534 2.951 -4.113 45 2HE2 GLN 7 1HE2 GLN 7 8.343 2.930 -2.626 46 H GLN 8 H GLN 8 12.291 -1.035 -3.009 47 HA GLN 8 HA GLN 8 12.752 -1.712 -0.263 48 1HB GLN 8 2HB GLN 8 11.335 -3.094 -1.810 49 2HB GLN 8 1HB GLN 8 12.798 -3.558 -2.676 50 1HG GLN 8 2HG GLN 8 13.655 -4.730 -0.816 51 2HG GLN 8 1HG GLN 8 12.499 -4.001 0.290 52 1HE2 GLN 8 2HE2 GLN 8 10.732 -7.042 -0.042 53 2HE2 GLN 8 1HE2 GLN 8 11.684 -6.082 0.979 54 H THR 9 H THR 9 14.852 -1.919 -3.128 55 HA THR 9 HA THR 9 17.045 -3.057 -1.702 56 HB THR 9 HB THR 9 18.355 -2.339 -3.715 57 HG1 THR 9 HG1 THR 9 17.546 -0.970 -5.007 58 1HG2 THR 9 2HG2 THR 9 15.918 -4.061 -4.048 59 2HG2 THR 9 1HG2 THR 9 17.132 -3.875 -5.312 60 3HG2 THR 9 3HG2 THR 9 17.592 -4.546 -3.750 61 H ALA 10 H ALA 10 15.832 0.195 -1.904 62 HA ALA 10 HA ALA 10 18.309 1.538 -1.226 63 1HB ALA 10 2HB ALA 10 16.276 2.698 -2.322 64 2HB ALA 10 1HB ALA 10 15.485 2.575 -0.755 65 3HB ALA 10 3HB ALA 10 16.953 3.531 -0.923 66 H ALA 11 H ALA 11 15.383 0.536 0.507 67 HA ALA 11 HA ALA 11 16.234 1.262 3.153 68 1HB ALA 11 2HB ALA 11 14.155 -0.682 2.115 69 2HB ALA 11 1HB ALA 11 14.480 -0.531 3.841 70 3HB ALA 11 3HB ALA 11 13.897 0.861 2.930 71 H TYR 12 H TYR 12 16.395 -1.731 1.293 72 HA TYR 12 HA TYR 12 17.580 -3.447 3.219 73 1HB TYR 12 2HB TYR 12 17.274 -3.435 0.260 74 2HB TYR 12 1HB TYR 12 18.690 -4.293 0.823 75 HD1 TYR 12 HD2 TYR 12 17.817 -5.651 3.271 76 HD2 TYR 12 HD1 TYR 12 15.656 -4.904 -0.370 77 HE1 TYR 12 HE2 TYR 12 16.372 -7.588 3.731 78 HE2 TYR 12 HE1 TYR 12 14.208 -6.842 0.085 79 HH TYR 12 HH TYR 12 13.911 -8.313 3.012 80 H LYS 13 H LYS 13 19.171 -1.715 0.525 81 HA LYS 13 HA LYS 13 21.823 -2.030 0.984 82 1HB LYS 13 2HB LYS 13 20.735 -0.711 -0.825 83 2HB LYS 13 1HB LYS 13 20.555 0.632 0.291 84 1HG LYS 13 2HG LYS 13 23.135 0.405 0.601 85 2HG LYS 13 1HG LYS 13 23.070 -0.546 -0.886 86 1HD LYS 13 2HD LYS 13 23.275 1.488 -1.890 87 2HD LYS 13 1HD LYS 13 21.535 1.543 -1.652 88 1HE LYS 13 2HE LYS 13 22.012 3.533 -0.628 89 2HE LYS 13 1HE LYS 13 22.350 2.503 0.760 90 1HZ LYS 13 2HZ LYS 13 24.359 3.379 -1.246 91 2HZ LYS 13 1HZ LYS 13 24.155 4.069 0.291 92 3HZ LYS 13 3HZ LYS 13 24.669 2.462 0.154 93 H THR 14 H THR 14 19.767 0.324 2.698 94 HA THR 14 HA THR 14 21.787 1.563 4.302 95 HB THR 14 HB THR 14 18.790 1.214 4.691 96 HG1 THR 14 HG1 THR 14 18.834 2.480 3.003 97 1HG2 THR 14 3HG2 THR 14 19.965 2.027 6.798 98 2HG2 THR 14 2HG2 THR 14 20.442 3.453 5.868 99 3HG2 THR 14 1HG2 THR 14 18.740 3.099 6.125 100 H LEU 15 H LEU 15 19.323 -0.828 5.358 101 HA LEU 15 HA LEU 15 20.407 -1.506 7.848 102 1HB LEU 15 2HB LEU 15 18.174 -2.147 7.336 103 2HB LEU 15 1HB LEU 15 18.670 -3.035 5.915 104 HG LEU 15 HG LEU 15 20.012 -4.237 8.130 105 1HD1 LEU 15 2HD1 LEU 15 17.057 -3.804 8.637 106 2HD1 LEU 15 1HD1 LEU 15 18.088 -4.928 9.511 107 3HD1 LEU 15 3HD1 LEU 15 18.374 -3.195 9.640 108 1HD2 LEU 15 2HD2 LEU 15 19.162 -5.326 6.027 109 2HD2 LEU 15 1HD2 LEU 15 18.716 -6.183 7.500 110 3HD2 LEU 15 3HD2 LEU 15 17.528 -5.181 6.671 111 H VAL 16 H VAL 16 20.946 -3.347 4.804 112 HA VAL 16 HA VAL 16 22.704 -5.245 5.813 113 HB VAL 16 HB VAL 16 23.375 -5.648 3.555 114 1HG1 VAL 16 3HG1 VAL 16 21.241 -6.436 4.453 115 2HG1 VAL 16 2HG1 VAL 16 20.447 -5.011 3.767 116 3HG1 VAL 16 1HG1 VAL 16 21.175 -6.222 2.696 117 1HG2 VAL 16 1HG2 VAL 16 21.963 -3.063 2.863 118 2HG2 VAL 16 3HG2 VAL 16 23.528 -3.638 2.290 119 3HG2 VAL 16 2HG2 VAL 16 22.043 -4.374 1.695 120 H SER 17 H SER 17 23.439 -2.160 4.268 121 HA SER 17 HA SER 17 26.247 -2.153 4.328 122 1HB SER 17 2HB SER 17 24.208 0.066 4.581 123 2HB SER 17 1HB SER 17 25.872 0.420 4.975 124 HG SER 17 HG SER 17 26.254 0.448 2.900 125 H ILE 18 H ILE 18 23.879 -1.677 6.976 126 HA ILE 18 HA ILE 18 26.169 -1.183 8.778 127 HB ILE 18 HB ILE 18 23.328 -1.466 9.791 128 1HG1 ILE 18 2HG1 ILE 18 24.770 1.085 8.917 129 2HG1 ILE 18 1HG1 ILE 18 23.376 0.368 8.102 130 1HG2 ILE 18 2HG2 ILE 18 25.995 -0.912 10.867 131 2HG2 ILE 18 1HG2 ILE 18 24.867 0.369 11.295 132 3HG2 ILE 18 3HG2 ILE 18 24.510 -1.301 11.721 133 1HD1 ILE 18 2HD1 ILE 18 23.393 1.297 10.981 134 2HD1 ILE 18 1HD1 ILE 18 22.674 2.184 9.625 135 3HD1 ILE 18 3HD1 ILE 18 22.019 0.618 10.114 136 H LEU 19 H LEU 19 24.033 -3.062 10.665 137 HA LEU 19 HA LEU 19 24.072 -5.002 11.610 138 1HB LEU 19 2HB LEU 19 24.925 -6.037 8.886 139 2HB LEU 19 1HB LEU 19 24.361 -7.048 10.212 140 HG LEU 19 HG LEU 19 22.775 -4.800 8.954 141 1HD1 LEU 19 2HD1 LEU 19 22.996 -6.723 7.430 142 2HD1 LEU 19 1HD1 LEU 19 22.387 -7.790 8.699 143 3HD1 LEU 19 3HD1 LEU 19 21.344 -6.541 8.022 144 1HD2 LEU 19 1HD2 LEU 19 22.130 -6.787 11.147 145 2HD2 LEU 19 3HD2 LEU 19 22.011 -5.027 11.193 146 3HD2 LEU 19 2HD2 LEU 19 20.873 -5.957 10.227 147 H SER 20 H SER 20 27.097 -4.614 9.842 148 HA SER 20 HA SER 20 28.642 -5.764 12.097 149 1HB SER 20 2HB SER 20 28.564 -6.365 9.328 150 2HB SER 20 1HB SER 20 30.087 -5.545 9.605 151 HG SER 20 HG SER 20 30.241 -7.809 10.008 152 H ASP 21 H ASP 21 27.719 -2.735 11.470 153 HA ASP 21 HA ASP 21 30.325 -1.411 11.194 154 1HB ASP 21 2HB ASP 21 28.161 -0.494 10.218 155 2HB ASP 21 1HB ASP 21 27.661 -0.134 11.863 156 H ALA 22 H ALA 22 27.973 -2.073 13.698 157 HA ALA 22 HA ALA 22 28.444 -2.535 15.922 158 1HB ALA 22 3HB ALA 22 30.482 -0.281 15.830 159 2HB ALA 22 2HB ALA 22 29.918 -1.053 17.311 160 3HB ALA 22 1HB ALA 22 30.807 -1.995 16.112 161 H SER 23 H SER 23 28.450 0.827 14.853 162 HA SER 23 HA SER 23 27.137 2.234 16.779 163 1HB SER 23 2HB SER 23 27.933 3.135 14.643 164 2HB SER 23 1HB SER 23 26.608 2.366 13.805 165 HG SER 23 HG SER 23 25.531 4.102 14.291 166 H PHE 24 H PHE 24 25.366 0.428 14.267 167 HA PHE 24 HA PHE 24 22.743 0.870 15.279 168 1HB PHE 24 2HB PHE 24 23.712 -0.017 12.944 169 2HB PHE 24 1HB PHE 24 23.527 -1.556 13.649 170 HD1 PHE 24 HD1 PHE 24 21.500 1.548 12.916 171 HD2 PHE 24 HD2 PHE 24 21.511 -2.718 13.472 172 HE1 PHE 24 HE1 PHE 24 19.132 1.442 12.212 173 HE2 PHE 24 HE2 PHE 24 19.145 -2.807 12.768 174 HZ PHE 24 HZ PHE 24 17.951 -0.736 12.137 175 H ASN 25 H ASN 25 24.676 -2.145 15.498 176 HA ASN 25 HA ASN 25 23.047 -3.521 17.333 177 1HB ASN 25 2HB ASN 25 25.461 -4.064 16.119 178 2HB ASN 25 1HB ASN 25 25.939 -3.868 17.793 179 1HD2 ASN 25 2HD2 ASN 25 24.912 -7.180 18.467 180 2HD2 ASN 25 1HD2 ASN 25 26.097 -5.982 18.675 181 H GLN 26 H GLN 26 25.618 -1.192 17.900 182 HA GLN 26 HA GLN 26 25.821 -1.384 20.685 183 1HB GLN 26 2HB GLN 26 27.517 -0.276 19.216 184 2HB GLN 26 1HB GLN 26 26.399 1.060 18.985 185 1HG GLN 26 2HG GLN 26 27.953 1.706 20.708 186 2HG GLN 26 1HG GLN 26 26.413 1.399 21.492 187 1HE2 GLN 26 2HE2 GLN 26 29.597 -1.009 22.336 188 2HE2 GLN 26 1HE2 GLN 26 29.718 0.124 21.078 189 H CYS 27 H CYS 27 23.787 0.744 18.690 190 HA CYS 27 HA CYS 27 22.636 2.283 20.828 191 1HB CYS 27 2HB CYS 27 22.303 2.849 18.400 192 2HB CYS 27 1HB CYS 27 21.360 1.404 18.199 193 H SER 28 H SER 28 21.427 -0.542 19.069 194 HA SER 28 HA SER 28 19.198 -1.226 20.639 195 1HB SER 28 2HB SER 28 19.788 -2.206 18.419 196 2HB SER 28 1HB SER 28 21.064 -3.132 19.178 197 HG SER 28 HG SER 28 18.821 -4.098 18.790 198 H THR 29 H THR 29 22.610 -2.008 21.233 199 HA THR 29 HA THR 29 22.137 -3.773 23.475 200 HB THR 29 HB THR 29 24.671 -2.351 22.568 201 HG1 THR 29 HG1 THR 29 23.724 -4.031 21.150 202 1HG2 THR 29 2HG2 THR 29 24.176 -3.719 25.010 203 2HG2 THR 29 1HG2 THR 29 25.215 -4.749 24.033 204 3HG2 THR 29 3HG2 THR 29 25.702 -3.093 24.395 205 H ASP 30 H ASP 30 23.333 -0.457 23.206 206 HA ASP 30 HA ASP 30 23.688 0.290 25.842 207 1HB ASP 30 2HB ASP 30 23.101 1.716 23.338 208 2HB ASP 30 1HB ASP 30 22.638 2.589 24.787 209 H SER 31 H SER 31 20.606 0.446 24.100 210 HA SER 31 HA SER 31 19.220 1.036 26.652 211 1HB SER 31 2HB SER 31 18.721 2.554 24.687 212 2HB SER 31 1HB SER 31 18.026 1.170 23.862 213 HG SER 31 HG SER 31 16.948 2.764 25.788 214 H GLY 32 H GLY 32 18.361 -1.044 23.794 215 1HA GLY 32 2HA GLY 32 18.377 -3.531 24.781 216 2HA GLY 32 1HA GLY 32 16.974 -2.898 25.632 217 H TYR 33 H TYR 33 15.948 -1.260 23.545 218 HA TYR 33 HA TYR 33 14.425 -3.140 22.066 219 1HB TYR 33 2HB TYR 33 13.437 -1.048 22.638 220 2HB TYR 33 1HB TYR 33 14.706 -0.162 21.859 221 HD1 TYR 33 HD2 TYR 33 11.831 -2.524 21.038 222 HD2 TYR 33 HD1 TYR 33 14.519 0.546 19.666 223 HE1 TYR 33 HE2 TYR 33 10.607 -2.357 18.923 224 HE2 TYR 33 HE1 TYR 33 13.286 0.705 17.557 225 HH TYR 33 HH TYR 33 10.931 0.170 16.715 226 H SER 34 H SER 34 14.554 -3.950 20.130 227 HA SER 34 HA SER 34 16.911 -3.427 18.405 228 1HB SER 34 2HB SER 34 16.450 -5.768 19.278 229 2HB SER 34 1HB SER 34 14.953 -5.762 18.357 230 HG SER 34 HG SER 34 16.381 -6.606 16.942 231 H MET 35 H MET 35 16.585 -2.855 16.235 232 HA MET 35 HA MET 35 13.853 -1.923 15.536 233 1HB MET 35 2HB MET 35 15.926 -0.345 15.664 234 2HB MET 35 1HB MET 35 16.342 -1.040 14.105 235 1HG MET 35 2HG MET 35 13.635 -0.378 13.846 236 2HG MET 35 1HG MET 35 14.325 0.953 14.774 237 1HE MET 35 1HE MET 35 13.413 -0.333 11.686 238 2HE MET 35 3HE MET 35 14.469 0.321 10.420 239 3HE MET 35 2HE MET 35 14.906 -1.157 11.263 240 H LEU 36 H LEU 36 16.382 -4.039 14.298 241 HA LEU 36 HA LEU 36 15.020 -4.318 11.761 242 1HB LEU 36 2HB LEU 36 16.793 -5.812 11.077 243 2HB LEU 36 1HB LEU 36 17.433 -4.368 11.814 244 HG LEU 36 HG LEU 36 17.382 -6.037 13.980 245 1HD1 LEU 36 2HD1 LEU 36 16.667 -7.871 12.188 246 2HD1 LEU 36 1HD1 LEU 36 18.391 -7.863 11.827 247 3HD1 LEU 36 3HD1 LEU 36 17.835 -8.250 13.450 248 1HD2 LEU 36 3HD2 LEU 36 19.387 -5.279 11.906 249 2HD2 LEU 36 2HD2 LEU 36 19.387 -4.963 13.641 250 3HD2 LEU 36 1HD2 LEU 36 19.849 -6.551 13.036 251 H THR 37 H THR 37 15.145 -6.426 14.642 252 HA THR 37 HA THR 37 12.908 -7.942 13.452 253 HB THR 37 HB THR 37 15.434 -8.990 14.780 254 HG1 THR 37 HG1 THR 37 14.133 -9.661 12.345 255 1HG2 THR 37 3HG2 THR 37 12.789 -10.391 14.486 256 2HG2 THR 37 2HG2 THR 37 14.301 -11.299 14.398 257 3HG2 THR 37 1HG2 THR 37 13.905 -10.390 15.854 258 H ALA 38 H ALA 38 11.717 -6.375 14.549 259 HA ALA 38 HA ALA 38 10.892 -7.176 17.193 260 1HB ALA 38 1HB ALA 38 12.947 -5.539 17.392 261 2HB ALA 38 3HB ALA 38 11.726 -4.309 17.071 262 3HB ALA 38 2HB ALA 38 11.564 -5.368 18.473 263 H LYS 39 H LYS 39 9.018 -5.987 17.932 264 HA LYS 39 HA LYS 39 7.044 -5.585 15.961 265 1HB LYS 39 2HB LYS 39 7.075 -4.948 18.910 266 2HB LYS 39 1HB LYS 39 5.691 -4.587 17.891 267 1HG LYS 39 2HG LYS 39 5.031 -6.671 18.437 268 2HG LYS 39 1HG LYS 39 6.140 -7.181 17.176 269 1HD LYS 39 2HD LYS 39 7.617 -8.073 18.669 270 2HD LYS 39 1HD LYS 39 7.380 -6.780 19.844 271 1HE LYS 39 2HE LYS 39 5.005 -7.861 20.144 272 2HE LYS 39 1HE LYS 39 5.763 -9.278 19.432 273 1HZ LYS 39 3HZ LYS 39 6.901 -7.856 21.787 274 2HZ LYS 39 2HZ LYS 39 5.788 -9.123 21.916 275 3HZ LYS 39 1HZ LYS 39 7.302 -9.400 21.212 276 H ALA 40 H ALA 40 7.975 -2.848 18.200 277 HA ALA 40 HA ALA 40 8.412 -1.044 15.973 278 1HB ALA 40 1HB ALA 40 5.984 -1.341 15.872 279 2HB ALA 40 3HB ALA 40 5.858 -0.697 17.509 280 3HB ALA 40 2HB ALA 40 6.460 0.325 16.197 281 H LEU 41 H LEU 41 8.172 1.334 16.752 282 HA LEU 41 HA LEU 41 10.117 2.151 18.401 283 1HB LEU 41 2HB LEU 41 7.482 3.539 17.892 284 2HB LEU 41 1HB LEU 41 8.877 4.350 18.582 285 HG LEU 41 HG LEU 41 9.271 2.837 16.026 286 1HD1 LEU 41 1HD1 LEU 41 7.190 4.097 15.613 287 2HD1 LEU 41 3HD1 LEU 41 8.015 5.581 16.086 288 3HD1 LEU 41 2HD1 LEU 41 8.543 4.699 14.657 289 1HD2 LEU 41 3HD2 LEU 41 11.049 4.153 17.406 290 2HD2 LEU 41 2HD2 LEU 41 10.994 4.368 15.656 291 3HD2 LEU 41 1HD2 LEU 41 10.283 5.583 16.709 292 HA PRO 42 HA PRO 42 8.944 0.943 22.511 293 1HB PRO 42 2HB PRO 42 10.999 2.065 23.866 294 2HB PRO 42 1HB PRO 42 11.082 0.564 22.922 295 1HG PRO 42 2HG PRO 42 12.096 3.271 22.221 296 2HG PRO 42 1HG PRO 42 12.719 1.670 21.765 297 1HD PRO 42 2HD PRO 42 11.190 3.324 20.135 298 2HD PRO 42 1HD PRO 42 11.448 1.587 19.877 299 H THR 43 H THR 43 9.023 1.943 24.849 300 HA THR 43 HA THR 43 7.131 4.120 24.965 301 HB THR 43 HB THR 43 7.212 3.519 27.442 302 HG1 THR 43 HG1 THR 43 8.851 2.288 27.889 303 1HG2 THR 43 3HG2 THR 43 6.374 1.514 25.346 304 2HG2 THR 43 2HG2 THR 43 5.910 1.425 27.051 305 3HG2 THR 43 1HG2 THR 43 5.395 2.799 26.066 306 H THR 44 H THR 44 7.307 5.953 26.179 307 HA THR 44 HA THR 44 9.186 7.776 25.884 308 HB THR 44 HB THR 44 7.065 8.287 26.748 309 HG1 THR 44 HG1 THR 44 7.938 10.040 27.434 310 1HG2 THR 44 1HG2 THR 44 6.957 6.358 28.397 311 2HG2 THR 44 3HG2 THR 44 7.864 7.384 29.506 312 3HG2 THR 44 2HG2 THR 44 6.279 7.894 28.933 313 H ALA 45 H ALA 45 9.462 5.708 28.746 314 HA ALA 45 HA ALA 45 11.766 7.007 29.819 315 1HB ALA 45 1HB ALA 45 10.437 4.362 30.288 316 2HB ALA 45 3HB ALA 45 12.034 4.631 30.985 317 3HB ALA 45 2HB ALA 45 10.703 5.690 31.423 318 H GLN 46 H GLN 46 11.577 3.880 28.029 319 HA GLN 46 HA GLN 46 14.375 3.503 27.690 320 1HB GLN 46 2HB GLN 46 12.098 2.026 27.019 321 2HB GLN 46 1HB GLN 46 12.587 2.540 25.447 322 1HG GLN 46 2HG GLN 46 14.912 1.732 25.980 323 2HG GLN 46 1HG GLN 46 14.247 0.997 27.431 324 1HE2 GLN 46 2HE2 GLN 46 13.764 -1.932 25.456 325 2HE2 GLN 46 1HE2 GLN 46 14.491 -1.267 26.857 326 H TYR 47 H TYR 47 11.943 5.177 25.771 327 HA TYR 47 HA TYR 47 13.295 6.020 23.454 328 1HB TYR 47 2HB TYR 47 10.904 6.710 24.894 329 2HB TYR 47 1HB TYR 47 11.722 8.199 24.549 330 HD1 TYR 47 HD1 TYR 47 12.699 8.060 21.843 331 HD2 TYR 47 HD2 TYR 47 9.223 6.195 23.530 332 HE1 TYR 47 HE1 TYR 47 11.665 7.975 19.607 333 HE2 TYR 47 HE2 TYR 47 8.179 6.100 21.315 334 HH TYR 47 HH TYR 47 9.725 6.340 18.524 335 H LYS 48 H LYS 48 13.083 7.614 26.632 336 HA LYS 48 HA LYS 48 14.661 9.872 26.205 337 1HB LYS 48 2HB LYS 48 13.242 8.880 28.337 338 2HB LYS 48 1HB LYS 48 14.887 8.684 28.906 339 1HG LYS 48 2HG LYS 48 14.810 10.847 29.530 340 2HG LYS 48 1HG LYS 48 14.862 11.262 27.826 341 1HD LYS 48 2HD LYS 48 12.735 11.987 27.840 342 2HD LYS 48 1HD LYS 48 12.160 10.523 28.616 343 1HE LYS 48 2HE LYS 48 11.611 12.273 30.099 344 2HE LYS 48 1HE LYS 48 13.024 11.513 30.816 345 1HZ LYS 48 1HZ LYS 48 13.175 13.934 29.074 346 2HZ LYS 48 3HZ LYS 48 13.003 14.002 30.753 347 3HZ LYS 48 2HZ LYS 48 14.391 13.296 30.082 348 H LEU 49 H LEU 49 15.674 6.740 27.507 349 HA LEU 49 HA LEU 49 18.459 7.306 27.766 350 1HB LEU 49 2HB LEU 49 16.861 4.794 27.438 351 2HB LEU 49 1HB LEU 49 18.610 4.682 27.331 352 HG LEU 49 HG LEU 49 17.143 5.957 29.651 353 1HD1 LEU 49 1HD1 LEU 49 16.522 3.571 29.333 354 2HD1 LEU 49 3HD1 LEU 49 18.227 3.139 29.463 355 3HD1 LEU 49 2HD1 LEU 49 17.390 3.864 30.842 356 1HD2 LEU 49 3HD2 LEU 49 19.591 6.535 29.366 357 2HD2 LEU 49 2HD2 LEU 49 19.270 5.628 30.844 358 3HD2 LEU 49 1HD2 LEU 49 19.958 4.812 29.443 359 H MET 50 H MET 50 16.581 6.249 24.972 360 HA MET 50 HA MET 50 18.792 5.761 23.181 361 1HB MET 50 2HB MET 50 15.820 5.876 22.974 362 2HB MET 50 1HB MET 50 16.727 6.092 21.491 363 1HG MET 50 2HG MET 50 17.976 3.911 22.718 364 2HG MET 50 1HG MET 50 16.262 3.666 23.038 365 1HE MET 50 2HE MET 50 18.073 1.815 21.516 366 2HE MET 50 1HE MET 50 16.377 1.356 21.382 367 3HE MET 50 3HE MET 50 17.399 1.452 19.933 368 H CYS 51 H CYS 51 16.693 8.648 23.683 369 HA CYS 51 HA CYS 51 17.600 10.150 21.479 370 1HB CYS 51 2HB CYS 51 16.587 11.112 24.151 371 2HB CYS 51 1HB CYS 51 17.015 12.195 22.850 372 H ALA 52 H ALA 52 19.209 9.618 24.563 373 HA ALA 52 HA ALA 52 21.149 11.764 24.228 374 1HB ALA 52 3HB ALA 52 20.747 9.667 26.336 375 2HB ALA 52 2HB ALA 52 22.202 10.658 26.286 376 3HB ALA 52 1HB ALA 52 20.627 11.421 26.473 377 H SER 53 H SER 53 21.572 8.259 24.483 378 HA SER 53 HA SER 53 24.222 7.947 24.083 379 1HB SER 53 2HB SER 53 22.649 6.111 24.500 380 2HB SER 53 1HB SER 53 22.163 6.138 22.819 381 HG SER 53 HG SER 53 24.435 5.125 24.024 382 H THR 54 H THR 54 25.748 8.056 22.700 383 HA THR 54 HA THR 54 25.699 9.570 20.327 384 HB THR 54 HB THR 54 27.837 7.558 21.028 385 HG1 THR 54 HG1 THR 54 27.545 10.170 22.111 386 1HG2 THR 54 2HG2 THR 54 27.985 10.240 19.637 387 2HG2 THR 54 1HG2 THR 54 29.362 9.227 20.060 388 3HG2 THR 54 3HG2 THR 54 28.176 8.655 18.893 389 H ALA 55 H ALA 55 25.869 6.017 20.774 390 HA ALA 55 HA ALA 55 26.218 5.212 18.098 391 1HB ALA 55 1HB ALA 55 24.664 3.864 20.328 392 2HB ALA 55 3HB ALA 55 24.986 3.114 18.767 393 3HB ALA 55 2HB ALA 55 26.326 3.523 19.842 394 H CYS 56 H CYS 56 23.243 5.656 19.941 395 HA CYS 56 HA CYS 56 21.432 5.092 17.903 396 1HB CYS 56 2HB CYS 56 20.935 6.873 20.315 397 2HB CYS 56 1HB CYS 56 19.686 6.127 19.324 398 H ASN 57 H ASN 57 22.754 8.218 18.886 399 HA ASN 57 HA ASN 57 21.298 9.911 17.088 400 1HB ASN 57 2HB ASN 57 24.161 10.281 18.043 401 2HB ASN 57 1HB ASN 57 23.161 11.519 17.317 402 1HD2 ASN 57 2HD2 ASN 57 21.100 11.532 20.479 403 2HD2 ASN 57 1HD2 ASN 57 20.706 11.264 18.848 404 H THR 58 H THR 58 24.295 8.086 16.628 405 HA THR 58 HA THR 58 24.887 9.035 14.019 406 HB THR 58 HB THR 58 25.536 6.354 15.278 407 HG1 THR 58 HG1 THR 58 26.725 8.873 15.556 408 1HG2 THR 58 3HG2 THR 58 26.434 7.637 12.758 409 2HG2 THR 58 2HG2 THR 58 27.645 6.778 13.703 410 3HG2 THR 58 1HG2 THR 58 26.207 5.932 13.142 411 H MET 59 H MET 59 22.957 6.271 15.068 412 HA MET 59 HA MET 59 22.240 5.083 12.621 413 1HB MET 59 2HB MET 59 20.546 5.424 15.076 414 2HB MET 59 1HB MET 59 20.123 4.407 13.727 415 1HG MET 59 2HG MET 59 22.251 3.101 14.240 416 2HG MET 59 1HG MET 59 22.371 4.049 15.727 417 1HE MET 59 3HE MET 59 19.606 4.605 16.781 418 2HE MET 59 2HE MET 59 18.629 4.123 15.407 419 3HE MET 59 1HE MET 59 18.453 3.264 16.926 420 H ILE 60 H ILE 60 20.204 7.308 14.474 421 HA ILE 60 HA ILE 60 18.271 7.753 12.446 422 HB ILE 60 HB ILE 60 18.899 9.133 15.037 423 1HG1 ILE 60 2HG1 ILE 60 17.960 6.844 15.062 424 2HG1 ILE 60 1HG1 ILE 60 16.911 8.009 15.837 425 1HG2 ILE 60 3HG2 ILE 60 16.598 9.817 13.193 426 2HG2 ILE 60 2HG2 ILE 60 16.714 10.289 14.890 427 3HG2 ILE 60 1HG2 ILE 60 17.899 10.888 13.729 428 1HD1 ILE 60 2HD1 ILE 60 16.548 7.149 12.950 429 2HD1 ILE 60 1HD1 ILE 60 15.787 6.319 14.305 430 3HD1 ILE 60 3HD1 ILE 60 15.399 8.003 13.976 431 H LYS 61 H LYS 61 20.787 9.983 13.572 432 HA LYS 61 HA LYS 61 20.398 12.067 11.720 433 1HB LYS 61 2HB LYS 61 21.957 12.088 13.649 434 2HB LYS 61 1HB LYS 61 23.015 10.998 12.774 435 1HG LYS 61 2HG LYS 61 22.671 13.082 10.971 436 2HG LYS 61 1HG LYS 61 22.724 13.913 12.528 437 1HD LYS 61 2HD LYS 61 24.739 11.901 11.526 438 2HD LYS 61 1HD LYS 61 24.987 13.645 11.640 439 1HE LYS 61 2HE LYS 61 24.328 13.276 14.168 440 2HE LYS 61 1HE LYS 61 24.782 11.612 13.847 441 1HZ LYS 61 3HZ LYS 61 26.567 13.933 13.288 442 2HZ LYS 61 2HZ LYS 61 26.587 13.033 14.728 443 3HZ LYS 61 1HZ LYS 61 26.972 12.281 13.252 444 H LYS 62 H LYS 62 22.208 9.066 11.251 445 HA LYS 62 HA LYS 62 23.213 9.637 8.628 446 1HB LYS 62 2HB LYS 62 22.921 7.147 10.254 447 2HB LYS 62 1HB LYS 62 22.997 6.926 8.514 448 1HG LYS 62 2HG LYS 62 25.074 8.412 8.537 449 2HG LYS 62 1HG LYS 62 25.054 8.251 10.287 450 1HD LYS 62 2HD LYS 62 26.204 6.333 10.059 451 2HD LYS 62 1HD LYS 62 24.774 5.621 9.343 452 1HE LYS 62 2HE LYS 62 26.204 5.233 7.613 453 2HE LYS 62 1HE LYS 62 25.752 6.866 7.154 454 1HZ LYS 62 3HZ LYS 62 28.140 6.144 8.794 455 2HZ LYS 62 2HZ LYS 62 28.153 6.487 7.133 456 3HZ LYS 62 1HZ LYS 62 27.743 7.698 8.242 457 H ILE 63 H ILE 63 20.378 7.804 9.674 458 HA ILE 63 HA ILE 63 19.290 7.270 7.111 459 HB ILE 63 HB ILE 63 17.774 7.644 9.721 460 1HG1 ILE 63 2HG1 ILE 63 19.566 5.854 9.751 461 2HG1 ILE 63 1HG1 ILE 63 17.949 5.271 10.066 462 1HG2 ILE 63 2HG2 ILE 63 16.934 6.251 7.170 463 2HG2 ILE 63 1HG2 ILE 63 16.045 6.196 8.691 464 3HG2 ILE 63 3HG2 ILE 63 16.245 7.725 7.837 465 1HD1 ILE 63 1HD1 ILE 63 18.917 5.192 7.244 466 2HD1 ILE 63 3HD1 ILE 63 19.632 4.053 8.386 467 3HD1 ILE 63 2HD1 ILE 63 17.890 4.052 8.114 468 H VAL 64 H VAL 64 19.030 10.176 9.137 469 HA VAL 64 HA VAL 64 17.036 11.499 7.551 470 HB VAL 64 HB VAL 64 19.071 12.661 9.490 471 1HG1 VAL 64 2HG1 VAL 64 17.193 13.944 7.702 472 2HG1 VAL 64 1HG1 VAL 64 16.718 14.254 9.366 473 3HG1 VAL 64 3HG1 VAL 64 18.334 14.688 8.812 474 1HG2 VAL 64 2HG2 VAL 64 17.479 11.043 10.519 475 2HG2 VAL 64 1HG2 VAL 64 17.202 12.691 11.088 476 3HG2 VAL 64 3HG2 VAL 64 16.140 11.988 9.870 477 H THR 65 H THR 65 20.551 11.891 7.748 478 HA THR 65 HA THR 65 20.872 13.755 5.627 479 HB THR 65 HB THR 65 22.939 11.612 6.201 480 HG1 THR 65 HG1 THR 65 22.587 14.032 7.668 481 1HG2 THR 65 1HG2 THR 65 23.125 14.473 5.253 482 2HG2 THR 65 3HG2 THR 65 24.520 13.489 5.695 483 3HG2 THR 65 2HG2 THR 65 23.500 13.017 4.338 484 H LEU 66 H LEU 66 20.441 10.276 5.595 485 HA LEU 66 HA LEU 66 21.084 9.777 2.817 486 1HB LEU 66 2HB LEU 66 19.990 8.249 5.105 487 2HB LEU 66 1HB LEU 66 19.349 7.777 3.557 488 HG LEU 66 HG LEU 66 21.304 6.478 4.368 489 1HD1 LEU 66 1HD1 LEU 66 20.727 7.319 1.777 490 2HD1 LEU 66 3HD1 LEU 66 22.475 7.508 1.920 491 3HD1 LEU 66 2HD1 LEU 66 21.725 5.947 2.245 492 1HD2 LEU 66 1HD2 LEU 66 22.724 9.112 3.946 493 2HD2 LEU 66 3HD2 LEU 66 22.735 8.085 5.378 494 3HD2 LEU 66 2HD2 LEU 66 23.582 7.575 3.917 495 H ASN 67 H ASN 67 18.120 10.344 4.655 496 HA ASN 67 HA ASN 67 15.966 10.627 4.166 497 1HB ASN 67 2HB ASN 67 15.589 12.346 2.198 498 2HB ASN 67 1HB ASN 67 16.314 12.838 3.710 499 1HD2 ASN 67 2HD2 ASN 67 18.478 13.025 0.257 500 2HD2 ASN 67 1HD2 ASN 67 16.949 12.287 0.252 501 HA PRO 68 HA PRO 68 15.574 7.285 1.088 502 1HB PRO 68 2HB PRO 68 13.905 5.782 2.626 503 2HB PRO 68 1HB PRO 68 15.679 5.733 2.732 504 1HG PRO 68 2HG PRO 68 13.721 7.037 4.569 505 2HG PRO 68 1HG PRO 68 15.294 6.291 4.930 506 1HD PRO 68 2HD PRO 68 14.872 9.024 4.730 507 2HD PRO 68 1HD PRO 68 16.449 8.226 4.559 508 HA PRO 69 HA PRO 69 11.688 8.450 -0.675 509 1HB PRO 69 2HB PRO 69 10.880 6.179 -1.968 510 2HB PRO 69 1HB PRO 69 12.204 7.224 -2.520 511 1HG PRO 69 2HG PRO 69 12.349 4.565 -1.201 512 2HG PRO 69 1HG PRO 69 13.474 5.334 -2.338 513 1HD PRO 69 2HD PRO 69 13.835 5.182 0.439 514 2HD PRO 69 1HD PRO 69 14.725 6.252 -0.669 515 H ASN 70 H ASN 70 9.427 8.408 -0.455 516 HA ASN 70 HA ASN 70 8.428 7.502 2.075 517 1HB ASN 70 2HB ASN 70 7.726 9.585 0.620 518 2HB ASN 70 1HB ASN 70 6.560 8.463 -0.074 519 1HD2 ASN 70 2HD2 ASN 70 4.559 8.371 2.876 520 2HD2 ASN 70 1HD2 ASN 70 4.806 7.666 1.356 521 H CYS 71 H CYS 71 8.118 5.424 2.455 522 HA CYS 71 HA CYS 71 6.041 3.950 1.153 523 1HB CYS 71 2HB CYS 71 7.238 2.256 0.045 524 2HB CYS 71 1HB CYS 71 7.943 3.768 -0.485 525 H ASP 72 H ASP 72 5.734 1.773 1.995 526 HA ASP 72 HA ASP 72 6.390 1.617 4.868 527 1HB ASP 72 2HB ASP 72 4.196 0.501 3.158 528 2HB ASP 72 1HB ASP 72 4.466 -0.079 4.796 529 H LEU 73 H LEU 73 7.353 -0.073 5.810 530 HA LEU 73 HA LEU 73 8.280 -2.374 4.175 531 1HB LEU 73 2HB LEU 73 9.918 -0.445 5.076 532 2HB LEU 73 1HB LEU 73 9.860 -1.438 6.523 533 HG LEU 73 HG LEU 73 10.431 -2.691 3.836 534 1HD1 LEU 73 2HD1 LEU 73 12.373 -1.277 5.676 535 2HD1 LEU 73 1HD1 LEU 73 12.881 -2.484 4.498 536 3HD1 LEU 73 3HD1 LEU 73 12.115 -0.989 3.954 537 1HD2 LEU 73 3HD2 LEU 73 10.860 -3.386 6.741 538 2HD2 LEU 73 2HD2 LEU 73 10.084 -4.346 5.484 539 3HD2 LEU 73 1HD2 LEU 73 11.834 -4.152 5.488 540 H THR 74 H THR 74 7.265 -4.190 4.878 541 HA THR 74 HA THR 74 6.209 -4.471 7.594 542 HB THR 74 HB THR 74 5.405 -6.667 6.640 543 HG1 THR 74 HG1 THR 74 6.832 -6.878 4.911 544 1HG2 THR 74 1HG2 THR 74 4.454 -3.999 6.002 545 2HG2 THR 74 3HG2 THR 74 3.954 -5.195 4.803 546 3HG2 THR 74 2HG2 THR 74 3.561 -5.438 6.498 547 H VAL 75 H VAL 75 7.442 -5.472 9.146 548 HA VAL 75 HA VAL 75 9.898 -6.873 8.433 549 HB VAL 75 HB VAL 75 8.733 -6.378 11.209 550 1HG1 VAL 75 2HG1 VAL 75 10.485 -8.146 11.094 551 2HG1 VAL 75 1HG1 VAL 75 11.579 -6.986 10.338 552 3HG1 VAL 75 3HG1 VAL 75 11.017 -6.724 11.989 553 1HG2 VAL 75 1HG2 VAL 75 9.238 -4.284 9.828 554 2HG2 VAL 75 3HG2 VAL 75 10.126 -4.424 11.347 555 3HG2 VAL 75 2HG2 VAL 75 10.919 -4.808 9.817 556 HA PRO 76 HA PRO 76 7.488 -10.674 8.393 557 1HB PRO 76 2HB PRO 76 9.420 -12.281 7.351 558 2HB PRO 76 1HB PRO 76 8.406 -11.195 6.387 559 1HG PRO 76 2HG PRO 76 11.256 -10.868 7.184 560 2HG PRO 76 1HG PRO 76 10.404 -10.269 5.748 561 1HD PRO 76 2HD PRO 76 11.037 -8.709 7.967 562 2HD PRO 76 1HD PRO 76 9.818 -8.320 6.733 563 H THR 77 H THR 77 10.621 -10.387 10.063 564 HA THR 77 HA THR 77 10.505 -12.895 11.445 565 HB THR 77 HB THR 77 12.308 -11.910 12.806 566 HG1 THR 77 HG1 THR 77 12.191 -9.553 11.236 567 1HG2 THR 77 3HG2 THR 77 12.575 -11.563 9.833 568 2HG2 THR 77 2HG2 THR 77 13.932 -11.550 10.962 569 3HG2 THR 77 1HG2 THR 77 12.937 -13.000 10.794 570 H SER 78 H SER 78 9.884 -9.560 12.513 571 HA SER 78 HA SER 78 8.730 -10.402 15.045 572 1HB SER 78 2HB SER 78 8.000 -7.930 15.202 573 2HB SER 78 1HB SER 78 9.707 -8.305 15.280 574 HG SER 78 HG SER 78 8.651 -6.581 13.721 575 H GLY 79 H GLY 79 7.357 -9.278 11.997 576 1HA GLY 79 2HA GLY 79 5.209 -9.966 11.178 577 2HA GLY 79 1HA GLY 79 4.714 -10.296 12.835 578 H LEU 80 H LEU 80 6.276 -7.205 12.348 579 HA LEU 80 HA LEU 80 3.634 -5.851 12.364 580 1HB LEU 80 2HB LEU 80 5.319 -5.890 14.473 581 2HB LEU 80 1HB LEU 80 5.949 -4.480 13.632 582 HG LEU 80 HG LEU 80 3.029 -4.456 13.732 583 1HD1 LEU 80 1HD1 LEU 80 3.794 -5.695 15.925 584 2HD1 LEU 80 3HD1 LEU 80 4.262 -4.072 16.433 585 3HD1 LEU 80 2HD1 LEU 80 2.591 -4.414 15.998 586 1HD2 LEU 80 1HD2 LEU 80 5.059 -2.620 13.520 587 2HD2 LEU 80 3HD2 LEU 80 3.394 -2.216 13.934 588 3HD2 LEU 80 2HD2 LEU 80 4.593 -2.427 15.207 589 H VAL 81 H VAL 81 3.651 -3.665 11.573 590 HA VAL 81 HA VAL 81 5.338 -3.334 9.162 591 HB VAL 81 HB VAL 81 2.692 -2.061 9.909 592 1HG1 VAL 81 3HG1 VAL 81 4.357 -1.867 7.389 593 2HG1 VAL 81 2HG1 VAL 81 2.645 -1.435 7.454 594 3HG1 VAL 81 1HG1 VAL 81 3.817 -0.542 8.417 595 1HG2 VAL 81 3HG2 VAL 81 3.385 -4.226 7.916 596 2HG2 VAL 81 2HG2 VAL 81 2.437 -4.437 9.385 597 3HG2 VAL 81 1HG2 VAL 81 1.805 -3.465 8.058 598 H LEU 82 H LEU 82 6.577 -1.580 8.782 599 HA LEU 82 HA LEU 82 6.579 0.794 10.509 600 1HB LEU 82 2HB LEU 82 8.231 -0.703 11.589 601 2HB LEU 82 1HB LEU 82 9.043 -0.922 10.050 602 HG LEU 82 HG LEU 82 9.662 1.487 10.047 603 1HD1 LEU 82 2HD1 LEU 82 8.137 1.492 12.651 604 2HD1 LEU 82 1HD1 LEU 82 9.409 2.666 12.321 605 3HD1 LEU 82 3HD1 LEU 82 7.979 2.604 11.290 606 1HD2 LEU 82 1HD2 LEU 82 10.378 0.003 12.591 607 2HD2 LEU 82 3HD2 LEU 82 11.184 -0.158 11.032 608 3HD2 LEU 82 2HD2 LEU 82 11.273 1.361 11.913 609 H ASN 83 H ASN 83 6.709 2.531 9.218 610 HA ASN 83 HA ASN 83 6.865 2.422 6.401 611 1HB ASN 83 2HB ASN 83 5.808 4.225 7.855 612 2HB ASN 83 1HB ASN 83 7.410 4.914 8.028 613 1HD2 ASN 83 2HD2 ASN 83 5.426 5.203 4.441 614 2HD2 ASN 83 1HD2 ASN 83 4.908 4.086 5.602 615 H VAL 84 H VAL 84 9.313 4.305 7.956 616 HA VAL 84 HA VAL 84 11.541 3.620 7.981 617 HB VAL 84 HB VAL 84 10.978 2.814 5.190 618 1HG1 VAL 84 1HG1 VAL 84 12.664 4.605 4.749 619 2HG1 VAL 84 3HG1 VAL 84 13.757 3.812 5.880 620 3HG1 VAL 84 2HG1 VAL 84 13.284 3.000 4.391 621 1HG2 VAL 84 2HG2 VAL 84 11.545 1.398 7.302 622 2HG2 VAL 84 1HG2 VAL 84 12.233 0.931 5.753 623 3HG2 VAL 84 3HG2 VAL 84 13.214 1.817 6.919 624 H TYR 85 H TYR 85 9.923 5.649 5.606 625 HA TYR 85 HA TYR 85 11.903 7.788 5.681 626 1HB TYR 85 2HB TYR 85 10.298 7.491 3.749 627 2HB TYR 85 1HB TYR 85 8.974 7.906 4.794 628 HD1 TYR 85 HD1 TYR 85 12.382 9.337 3.981 629 HD2 TYR 85 HD2 TYR 85 8.214 10.112 4.645 630 HE1 TYR 85 HE1 TYR 85 12.760 11.744 3.554 631 HE2 TYR 85 HE2 TYR 85 8.593 12.519 4.216 632 HH TYR 85 HH TYR 85 11.023 14.067 4.467 633 H SER 86 H SER 86 8.562 7.432 6.845 634 HA SER 86 HA SER 86 8.575 9.694 8.579 635 1HB SER 86 2HB SER 86 6.811 7.219 8.728 636 2HB SER 86 1HB SER 86 6.555 8.689 9.646 637 HG SER 86 HG SER 86 5.837 9.655 7.837 638 H TYR 87 H TYR 87 10.005 6.576 9.074 639 HA TYR 87 HA TYR 87 10.042 6.297 11.876 640 1HB TYR 87 2HB TYR 87 10.876 4.428 10.959 641 2HB TYR 87 1HB TYR 87 11.474 5.227 9.552 642 HD1 TYR 87 HD2 TYR 87 12.283 4.857 13.232 643 HD2 TYR 87 HD1 TYR 87 13.755 5.074 9.198 644 HE1 TYR 87 HE2 TYR 87 14.590 4.442 14.045 645 HE2 TYR 87 HE1 TYR 87 16.050 4.659 10.023 646 HH TYR 87 HH TYR 87 17.294 5.077 12.305 647 H ALA 88 H ALA 88 12.660 7.492 9.857 648 HA ALA 88 HA ALA 88 14.308 8.602 11.892 649 1HB ALA 88 3HB ALA 88 14.118 8.937 8.915 650 2HB ALA 88 2HB ALA 88 15.445 9.625 9.865 651 3HB ALA 88 1HB ALA 88 15.182 7.868 9.818 652 H ASN 89 H ASN 89 12.141 10.164 9.578 653 HA ASN 89 HA ASN 89 12.509 12.871 10.394 654 1HB ASN 89 2HB ASN 89 10.352 11.394 8.895 655 2HB ASN 89 1HB ASN 89 10.063 13.042 9.401 656 1HD2 ASN 89 2HD2 ASN 89 13.318 13.118 6.972 657 2HD2 ASN 89 1HD2 ASN 89 13.463 12.404 8.499 658 H GLY 90 H GLY 90 10.222 10.382 11.513 659 1HA GLY 90 2HA GLY 90 8.820 12.095 13.354 660 2HA GLY 90 1HA GLY 90 8.685 10.344 13.242 661 H PHE 91 H PHE 91 11.532 9.776 13.704 662 HA PHE 91 HA PHE 91 11.688 9.444 16.451 663 1HB PHE 91 2HB PHE 91 13.262 8.531 14.555 664 2HB PHE 91 1HB PHE 91 14.238 9.939 14.917 665 HD1 PHE 91 HD2 PHE 91 14.856 10.312 17.471 666 HD2 PHE 91 HD1 PHE 91 13.476 6.588 15.826 667 HE1 PHE 91 HE2 PHE 91 15.809 9.105 19.397 668 HE2 PHE 91 HE1 PHE 91 14.434 5.381 17.759 669 HZ PHE 91 HZ PHE 91 15.608 6.640 19.554 670 H SER 92 H SER 92 13.496 12.005 14.680 671 HA SER 92 HA SER 92 14.448 13.390 16.926 672 1HB SER 92 2HB SER 92 15.176 13.833 14.568 673 2HB SER 92 1HB SER 92 13.653 14.672 14.296 674 HG SER 92 HG SER 92 14.534 16.350 15.276 675 H ASN 93 H ASN 93 11.366 13.877 15.177 676 HA ASN 93 HA ASN 93 10.365 16.103 16.564 677 1HB ASN 93 2HB ASN 93 9.373 14.792 14.514 678 2HB ASN 93 1HB ASN 93 8.535 13.840 15.729 679 1HD2 ASN 93 2HD2 ASN 93 7.047 17.431 14.773 680 2HD2 ASN 93 1HD2 ASN 93 8.240 16.664 13.839 681 H LYS 94 H LYS 94 9.944 12.632 17.293 682 HA LYS 94 HA LYS 94 8.494 13.028 19.728 683 1HB LYS 94 2HB LYS 94 9.419 10.731 18.223 684 2HB LYS 94 1HB LYS 94 9.811 10.517 19.925 685 1HG LYS 94 2HG LYS 94 7.661 10.243 20.515 686 2HG LYS 94 1HG LYS 94 7.128 11.622 19.564 687 1HD LYS 94 2HD LYS 94 6.871 10.338 17.611 688 2HD LYS 94 1HD LYS 94 7.858 9.013 18.227 689 1HE LYS 94 2HE LYS 94 5.676 9.447 20.043 690 2HE LYS 94 1HE LYS 94 5.028 9.347 18.419 691 1HZ LYS 94 1HZ LYS 94 6.965 7.278 18.858 692 2HZ LYS 94 3HZ LYS 94 5.778 7.267 20.066 693 3HZ LYS 94 2HZ LYS 94 5.320 7.159 18.443 694 H CYS 95 H CYS 95 11.949 12.751 19.074 695 HA CYS 95 HA CYS 95 12.822 12.525 21.806 696 1HB CYS 95 2HB CYS 95 14.142 13.231 19.217 697 2HB CYS 95 1HB CYS 95 14.918 13.861 20.634 698 H SER 96 H SER 96 12.233 15.301 19.647 699 HA SER 96 HA SER 96 13.015 17.385 21.433 700 1HB SER 96 2HB SER 96 11.011 17.514 19.147 701 2HB SER 96 1HB SER 96 11.759 18.884 19.944 702 HG SER 96 HG SER 96 13.057 18.560 18.240 703 H SER 97 H SER 97 9.908 15.902 20.662 704 HA SER 97 HA SER 97 8.277 17.471 22.433 705 1HB SER 97 2HB SER 97 7.625 15.985 20.371 706 2HB SER 97 1HB SER 97 7.566 14.683 21.539 707 HG SER 97 HG SER 97 5.665 16.357 21.009 708 H LEU 98 HN LEU 98 10.132 14.507 22.894 709 HA LEU 98 HA LEU 98 9.019 13.468 25.244 710 1HB LEU 98 2HB LEU 98 10.760 12.495 23.641 711 2HB LEU 98 1HB LEU 98 11.946 13.400 24.560 712 HG LEU 98 HG LEU 98 11.040 12.180 26.629 713 1HD1 LEU 98 3HD1 LEU 98 9.814 10.467 24.440 714 2HD1 LEU 98 2HD1 LEU 98 9.946 9.995 26.135 715 3HD1 LEU 98 1HD1 LEU 98 8.934 11.364 25.677 716 1HD2 LEU 98 1HD2 LEU 98 12.403 10.685 24.367 717 2HD2 LEU 98 3HD2 LEU 98 13.181 11.594 25.667 718 3HD2 LEU 98 2HD2 LEU 98 12.318 10.098 26.028 No H/Q in entry = 718 Start of MODEL 9 1 1H THR 1 2H THR 1 1.702 0.259 -0.711 2 2H THR 1 1H THR 1 2.259 -0.956 -1.763 3 3H THR 1 3H THR 1 0.601 -0.719 -1.550 4 HA THR 1 HA THR 1 0.699 -1.448 0.690 5 HB THR 1 HB THR 1 1.685 -3.813 0.281 6 HG1 THR 1 HG1 THR 1 1.727 -3.549 -2.424 7 1HG2 THR 1 1HG2 THR 1 -0.718 -2.917 -0.037 8 2HG2 THR 1 3HG2 THR 1 -0.363 -2.950 -1.763 9 3HG2 THR 1 2HG2 THR 1 -0.302 -4.435 -0.820 10 H ALA 2 H ALA 2 3.976 -2.274 -0.539 11 HA ALA 2 HA ALA 2 5.270 -0.862 1.667 12 1HB ALA 2 3HB ALA 2 5.081 -3.865 1.451 13 2HB ALA 2 2HB ALA 2 6.522 -3.141 2.174 14 3HB ALA 2 1HB ALA 2 4.932 -2.843 2.880 15 H CYS 3 H CYS 3 6.010 0.349 -0.078 16 HA CYS 3 HA CYS 3 7.464 1.117 -1.701 17 1HB CYS 3 2HB CYS 3 9.088 -1.253 -0.818 18 2HB CYS 3 1HB CYS 3 9.732 0.175 -1.603 19 H THR 4 H THR 4 8.942 0.035 -3.742 20 HA THR 4 HA THR 4 7.309 -2.067 -5.002 21 HB THR 4 HB THR 4 8.338 0.488 -6.317 22 HG1 THR 4 HG1 THR 4 5.667 -0.372 -5.847 23 1HG2 THR 4 2HG2 THR 4 7.860 -2.016 -7.483 24 2HG2 THR 4 1HG2 THR 4 6.437 -1.050 -7.864 25 3HG2 THR 4 3HG2 THR 4 8.042 -0.475 -8.314 26 H ALA 5 H ALA 5 10.082 -0.748 -6.727 27 HA ALA 5 HA ALA 5 11.556 -3.240 -6.031 28 1HB ALA 5 1HB ALA 5 11.425 -1.688 -8.635 29 2HB ALA 5 3HB ALA 5 12.709 -2.848 -8.296 30 3HB ALA 5 2HB ALA 5 11.033 -3.382 -8.355 31 H THR 6 H THR 6 12.355 0.002 -7.376 32 HA THR 6 HA THR 6 14.965 0.037 -6.231 33 HB THR 6 HB THR 6 14.934 2.516 -6.838 34 HG1 THR 6 HG1 THR 6 12.783 3.047 -6.717 35 1HG2 THR 6 2HG2 THR 6 15.629 0.693 -8.403 36 2HG2 THR 6 1HG2 THR 6 14.020 0.741 -9.109 37 3HG2 THR 6 3HG2 THR 6 15.064 2.161 -9.182 38 H GLN 7 H GLN 7 11.875 1.374 -5.123 39 HA GLN 7 HA GLN 7 12.733 2.810 -2.855 40 1HB GLN 7 2HB GLN 7 10.203 1.616 -3.793 41 2HB GLN 7 1HB GLN 7 10.294 1.821 -2.065 42 1HG GLN 7 2HG GLN 7 9.672 3.970 -2.382 43 2HG GLN 7 1HG GLN 7 11.261 4.244 -3.078 44 1HE2 GLN 7 2HE2 GLN 7 8.013 4.157 -5.544 45 2HE2 GLN 7 1HE2 GLN 7 7.807 3.801 -3.893 46 H GLN 8 H GLN 8 11.665 -0.567 -3.044 47 HA GLN 8 HA GLN 8 12.187 -1.191 -0.322 48 1HB GLN 8 2HB GLN 8 10.679 -2.542 -1.918 49 2HB GLN 8 1HB GLN 8 12.158 -3.269 -2.525 50 1HG GLN 8 2HG GLN 8 12.718 -4.026 -0.228 51 2HG GLN 8 1HG GLN 8 11.219 -3.343 0.367 52 1HE2 GLN 8 2HE2 GLN 8 11.055 -6.784 -1.881 53 2HE2 GLN 8 1HE2 GLN 8 12.463 -5.843 -1.950 54 H THR 9 H THR 9 14.215 -1.885 -3.154 55 HA THR 9 HA THR 9 16.307 -2.948 -1.491 56 HB THR 9 HB THR 9 16.377 -3.655 -3.780 57 HG1 THR 9 HG1 THR 9 18.515 -3.340 -4.187 58 1HG2 THR 9 1HG2 THR 9 15.846 -0.898 -4.344 59 2HG2 THR 9 3HG2 THR 9 17.272 -1.413 -5.247 60 3HG2 THR 9 2HG2 THR 9 15.751 -2.292 -5.414 61 H ALA 10 H ALA 10 15.481 0.365 -2.198 62 HA ALA 10 HA ALA 10 18.043 1.526 -1.572 63 1HB ALA 10 2HB ALA 10 15.208 2.668 -1.411 64 2HB ALA 10 1HB ALA 10 16.656 3.612 -1.077 65 3HB ALA 10 3HB ALA 10 16.385 2.969 -2.691 66 H ALA 11 H ALA 11 15.052 0.818 0.191 67 HA ALA 11 HA ALA 11 15.854 1.587 2.808 68 1HB ALA 11 3HB ALA 11 13.861 -0.525 1.863 69 2HB ALA 11 2HB ALA 11 14.116 -0.165 3.568 70 3HB ALA 11 1HB ALA 11 13.509 1.083 2.487 71 H TYR 12 H TYR 12 16.137 -1.434 1.001 72 HA TYR 12 HA TYR 12 17.320 -3.147 2.910 73 1HB TYR 12 2HB TYR 12 17.585 -2.994 -0.113 74 2HB TYR 12 1HB TYR 12 18.566 -4.096 0.806 75 HD1 TYR 12 HD2 TYR 12 15.196 -3.558 2.155 76 HD2 TYR 12 HD1 TYR 12 17.567 -5.801 -0.648 77 HE1 TYR 12 HE2 TYR 12 13.428 -5.266 2.045 78 HE2 TYR 12 HE1 TYR 12 15.795 -7.516 -0.761 79 HH TYR 12 HH TYR 12 13.695 -8.126 1.238 80 H LYS 13 H LYS 13 19.155 -1.433 0.337 81 HA LYS 13 HA LYS 13 21.711 -1.666 1.067 82 1HB LYS 13 2HB LYS 13 20.461 -0.196 -0.744 83 2HB LYS 13 1HB LYS 13 20.861 1.111 0.360 84 1HG LYS 13 2HG LYS 13 23.181 -0.573 0.014 85 2HG LYS 13 1HG LYS 13 22.537 -0.147 -1.566 86 1HD LYS 13 2HD LYS 13 22.671 2.202 -1.080 87 2HD LYS 13 1HD LYS 13 23.073 1.896 0.608 88 1HE LYS 13 2HE LYS 13 25.222 1.012 0.026 89 2HE LYS 13 1HE LYS 13 24.811 0.946 -1.682 90 1HZ LYS 13 3HZ LYS 13 24.495 3.497 -1.390 91 2HZ LYS 13 2HZ LYS 13 25.455 3.288 -0.011 92 3HZ LYS 13 1HZ LYS 13 26.058 2.869 -1.543 93 H THR 14 H THR 14 19.602 0.866 2.520 94 HA THR 14 HA THR 14 21.615 1.878 4.295 95 HB THR 14 HB THR 14 18.684 2.108 4.998 96 HG1 THR 14 HG1 THR 14 18.322 2.729 2.999 97 1HG2 THR 14 3HG2 THR 14 21.164 3.755 5.283 98 2HG2 THR 14 2HG2 THR 14 19.608 4.567 5.218 99 3HG2 THR 14 1HG2 THR 14 19.919 3.362 6.465 100 H LEU 15 H LEU 15 18.831 -0.222 4.931 101 HA LEU 15 HA LEU 15 19.237 -0.913 7.599 102 1HB LEU 15 2HB LEU 15 17.209 -1.418 6.392 103 2HB LEU 15 1HB LEU 15 18.063 -2.476 5.295 104 HG LEU 15 HG LEU 15 18.590 -3.561 7.832 105 1HD1 LEU 15 2HD1 LEU 15 16.621 -1.914 8.468 106 2HD1 LEU 15 1HD1 LEU 15 15.626 -3.153 7.711 107 3HD1 LEU 15 3HD1 LEU 15 16.633 -3.561 9.097 108 1HD2 LEU 15 3HD2 LEU 15 16.472 -4.262 5.763 109 2HD2 LEU 15 2HD2 LEU 15 18.130 -4.861 5.807 110 3HD2 LEU 15 1HD2 LEU 15 16.994 -5.330 7.064 111 H VAL 16 H VAL 16 20.310 -2.946 4.831 112 HA VAL 16 HA VAL 16 21.801 -4.797 6.278 113 HB VAL 16 HB VAL 16 22.868 -5.337 4.142 114 1HG1 VAL 16 1HG1 VAL 16 20.687 -6.124 5.026 115 2HG1 VAL 16 3HG1 VAL 16 19.896 -4.885 4.048 116 3HG1 VAL 16 2HG1 VAL 16 20.775 -6.204 3.248 117 1HG2 VAL 16 1HG2 VAL 16 22.299 -2.827 3.104 118 2HG2 VAL 16 3HG2 VAL 16 22.519 -4.263 2.109 119 3HG2 VAL 16 2HG2 VAL 16 20.906 -3.748 2.544 120 H SER 17 H SER 17 22.757 -1.820 4.827 121 HA SER 17 HA SER 17 25.581 -1.897 5.185 122 1HB SER 17 2HB SER 17 23.610 0.406 5.103 123 2HB SER 17 1HB SER 17 25.181 0.725 5.795 124 HG SER 17 HG SER 17 26.115 0.125 3.836 125 H ILE 18 H ILE 18 22.909 -1.262 7.443 126 HA ILE 18 HA ILE 18 24.796 -0.975 9.714 127 HB ILE 18 HB ILE 18 22.156 -0.011 9.008 128 1HG1 ILE 18 2HG1 ILE 18 24.140 1.331 9.510 129 2HG1 ILE 18 1HG1 ILE 18 22.720 1.810 10.419 130 1HG2 ILE 18 2HG2 ILE 18 21.329 -1.656 10.716 131 2HG2 ILE 18 1HG2 ILE 18 22.255 -0.752 11.917 132 3HG2 ILE 18 3HG2 ILE 18 20.955 0.037 11.029 133 1HD1 ILE 18 3HD1 ILE 18 24.983 0.093 11.487 134 2HD1 ILE 18 2HD1 ILE 18 24.767 1.808 11.815 135 3HD1 ILE 18 1HD1 ILE 18 23.582 0.643 12.406 136 H LEU 19 H LEU 19 23.583 -2.272 11.856 137 HA LEU 19 HA LEU 19 22.940 -4.207 12.834 138 1HB LEU 19 2HB LEU 19 23.164 -5.798 10.265 139 2HB LEU 19 1HB LEU 19 22.411 -6.272 11.766 140 HG LEU 19 HG LEU 19 21.370 -4.234 9.754 141 1HD1 LEU 19 1HD1 LEU 19 20.529 -6.980 10.659 142 2HD1 LEU 19 3HD1 LEU 19 19.413 -5.873 9.857 143 3HD1 LEU 19 2HD1 LEU 19 20.868 -6.409 9.019 144 1HD2 LEU 19 3HD2 LEU 19 20.329 -5.017 12.507 145 2HD2 LEU 19 2HD2 LEU 19 20.801 -3.395 11.990 146 3HD2 LEU 19 1HD2 LEU 19 19.364 -4.162 11.304 147 H SER 20 H SER 20 25.295 -4.838 10.243 148 HA SER 20 HA SER 20 27.009 -6.415 12.041 149 1HB SER 20 2HB SER 20 26.399 -6.796 9.475 150 2HB SER 20 1HB SER 20 27.727 -5.688 9.220 151 HG SER 20 HG SER 20 28.022 -8.169 9.490 152 H ASP 21 H ASP 21 26.604 -3.265 12.069 153 HA ASP 21 HA ASP 21 29.381 -2.271 11.916 154 1HB ASP 21 2HB ASP 21 27.248 -1.318 10.760 155 2HB ASP 21 1HB ASP 21 26.860 -0.678 12.339 156 H ALA 22 H ALA 22 30.248 -1.180 13.679 157 HA ALA 22 HA ALA 22 29.815 -2.122 16.291 158 1HB ALA 22 3HB ALA 22 31.947 -1.110 15.532 159 2HB ALA 22 2HB ALA 22 31.175 0.475 15.511 160 3HB ALA 22 1HB ALA 22 31.374 -0.384 17.030 161 H SER 23 H SER 23 28.493 0.772 14.752 162 HA SER 23 HA SER 23 27.466 2.165 16.949 163 1HB SER 23 2HB SER 23 27.486 2.716 14.382 164 2HB SER 23 1HB SER 23 25.890 1.989 14.392 165 HG SER 23 HG SER 23 25.180 3.689 15.556 166 H PHE 24 H PHE 24 25.646 -0.232 14.996 167 HA PHE 24 HA PHE 24 23.287 -0.265 16.528 168 1HB PHE 24 2HB PHE 24 23.400 -1.160 14.230 169 2HB PHE 24 1HB PHE 24 24.481 -2.417 14.755 170 HD1 PHE 24 HD2 PHE 24 20.958 -1.156 15.073 171 HD2 PHE 24 HD1 PHE 24 23.670 -4.442 15.682 172 HE1 PHE 24 HE2 PHE 24 19.041 -2.655 15.541 173 HE2 PHE 24 HE1 PHE 24 21.749 -5.926 16.146 174 HZ PHE 24 HZ PHE 24 19.438 -5.041 16.075 175 H ASN 25 H ASN 25 26.221 -2.126 17.018 176 HA ASN 25 HA ASN 25 25.243 -3.889 19.057 177 1HB ASN 25 2HB ASN 25 27.918 -3.019 18.037 178 2HB ASN 25 1HB ASN 25 27.831 -3.788 19.618 179 1HD2 ASN 25 2HD2 ASN 25 27.139 -6.984 18.304 180 2HD2 ASN 25 1HD2 ASN 25 27.392 -6.042 19.697 181 H GLN 26 H GLN 26 26.788 -0.721 19.233 182 HA GLN 26 HA GLN 26 26.998 -0.506 22.077 183 1HB GLN 26 2HB GLN 26 26.745 1.762 20.086 184 2HB GLN 26 1HB GLN 26 27.286 1.931 21.735 185 1HG GLN 26 2HG GLN 26 28.749 0.362 19.572 186 2HG GLN 26 1HG GLN 26 29.116 2.016 20.029 187 1HE2 GLN 26 2HE2 GLN 26 30.999 1.002 22.870 188 2HE2 GLN 26 1HE2 GLN 26 30.420 2.335 22.003 189 H CYS 27 H CYS 27 24.499 0.505 19.758 190 HA CYS 27 HA CYS 27 22.837 1.778 21.732 191 1HB CYS 27 2HB CYS 27 22.665 2.040 19.132 192 2HB CYS 27 1HB CYS 27 21.614 0.643 19.226 193 H SER 28 H SER 28 22.552 -1.370 20.090 194 HA SER 28 HA SER 28 20.240 -2.343 21.326 195 1HB SER 28 2HB SER 28 21.224 -4.687 20.911 196 2HB SER 28 1HB SER 28 21.062 -3.624 19.533 197 HG SER 28 HG SER 28 23.158 -3.703 19.332 198 H THR 29 H THR 29 23.559 -2.557 22.512 199 HA THR 29 HA THR 29 23.056 -4.071 24.891 200 HB THR 29 HB THR 29 25.238 -2.112 24.151 201 HG1 THR 29 HG1 THR 29 25.840 -3.761 22.989 202 1HG2 THR 29 2HG2 THR 29 25.113 -3.999 26.507 203 2HG2 THR 29 1HG2 THR 29 26.608 -3.293 25.905 204 3HG2 THR 29 3HG2 THR 29 25.335 -2.252 26.533 205 H ASP 30 H ASP 30 23.127 -0.575 24.290 206 HA ASP 30 HA ASP 30 22.771 0.231 27.003 207 1HB ASP 30 2HB ASP 30 22.757 1.619 24.393 208 2HB ASP 30 1HB ASP 30 21.876 2.390 25.697 209 H SER 31 H SER 31 20.389 0.483 24.401 210 HA SER 31 HA SER 31 18.190 0.823 26.307 211 1HB SER 31 2HB SER 31 18.691 2.034 23.963 212 2HB SER 31 1HB SER 31 17.733 0.699 23.361 213 HG SER 31 HG SER 31 16.058 1.702 24.132 214 H GLY 32 H GLY 32 18.555 -1.287 23.401 215 1HA GLY 32 2HA GLY 32 18.380 -3.785 23.928 216 2HA GLY 32 1HA GLY 32 16.926 -3.351 24.804 217 H TYR 33 H TYR 33 16.012 -1.375 22.781 218 HA TYR 33 HA TYR 33 14.429 -3.008 21.154 219 1HB TYR 33 2HB TYR 33 13.897 -0.625 21.693 220 2HB TYR 33 1HB TYR 33 15.210 -0.132 20.635 221 HD1 TYR 33 HD1 TYR 33 12.191 -2.451 20.384 222 HD2 TYR 33 HD2 TYR 33 14.567 0.637 18.572 223 HE1 TYR 33 HE1 TYR 33 10.697 -2.436 18.430 224 HE2 TYR 33 HE2 TYR 33 13.066 0.647 16.621 225 HH TYR 33 HH TYR 33 11.438 -1.090 15.489 226 H SER 34 H SER 34 14.895 -4.194 19.456 227 HA SER 34 HA SER 34 17.246 -3.583 17.744 228 1HB SER 34 2HB SER 34 17.570 -5.578 19.128 229 2HB SER 34 1HB SER 34 16.039 -6.238 18.595 230 HG SER 34 HG SER 34 16.931 -6.673 16.644 231 H MET 35 H MET 35 16.372 -2.560 16.069 232 HA MET 35 HA MET 35 13.833 -2.742 14.946 233 1HB MET 35 2HB MET 35 14.655 -1.466 13.101 234 2HB MET 35 1HB MET 35 15.510 -0.935 14.531 235 1HG MET 35 2HG MET 35 17.245 -2.821 13.623 236 2HG MET 35 1HG MET 35 16.518 -2.318 12.104 237 1HE MET 35 2HE MET 35 16.973 -0.129 10.884 238 2HE MET 35 1HE MET 35 15.963 0.660 12.096 239 3HE MET 35 3HE MET 35 17.544 1.334 11.667 240 H LEU 36 H LEU 36 16.617 -4.732 14.166 241 HA LEU 36 HA LEU 36 15.623 -5.953 11.827 242 1HB LEU 36 2HB LEU 36 17.651 -6.870 11.782 243 2HB LEU 36 1HB LEU 36 17.980 -6.017 13.256 244 HG LEU 36 HG LEU 36 16.982 -8.193 14.396 245 1HD1 LEU 36 3HD1 LEU 36 17.518 -9.041 11.561 246 2HD1 LEU 36 2HD1 LEU 36 17.816 -10.170 12.881 247 3HD1 LEU 36 1HD1 LEU 36 16.204 -9.516 12.633 248 1HD2 LEU 36 1HD2 LEU 36 19.373 -7.276 14.359 249 2HD2 LEU 36 3HD2 LEU 36 19.196 -9.010 14.620 250 3HD2 LEU 36 2HD2 LEU 36 19.666 -8.399 13.032 251 H THR 37 H THR 37 15.029 -6.883 15.224 252 HA THR 37 HA THR 37 12.967 -8.722 14.203 253 HB THR 37 HB THR 37 15.053 -9.925 14.538 254 HG1 THR 37 HG1 THR 37 12.963 -10.705 16.279 255 1HG2 THR 37 1HG2 THR 37 15.823 -8.549 16.576 256 2HG2 THR 37 3HG2 THR 37 14.794 -9.621 17.527 257 3HG2 THR 37 2HG2 THR 37 16.131 -10.281 16.594 258 H ALA 38 H ALA 38 12.203 -6.352 15.017 259 HA ALA 38 HA ALA 38 10.809 -6.845 17.601 260 1HB ALA 38 1HB ALA 38 12.704 -5.335 18.010 261 2HB ALA 38 3HB ALA 38 12.058 -4.218 16.806 262 3HB ALA 38 2HB ALA 38 11.147 -4.546 18.283 263 H LYS 39 H LYS 39 8.862 -5.681 17.899 264 HA LYS 39 HA LYS 39 7.198 -5.503 15.601 265 1HB LYS 39 2HB LYS 39 6.821 -4.891 18.508 266 2HB LYS 39 1HB LYS 39 5.661 -4.230 17.378 267 1HG LYS 39 2HG LYS 39 4.592 -6.198 17.613 268 2HG LYS 39 1HG LYS 39 5.804 -6.845 16.529 269 1HD LYS 39 2HD LYS 39 5.982 -8.338 18.280 270 2HD LYS 39 1HD LYS 39 7.194 -7.164 18.765 271 1HE LYS 39 2HE LYS 39 5.944 -7.549 20.723 272 2HE LYS 39 1HE LYS 39 5.296 -6.036 20.110 273 1HZ LYS 39 3HZ LYS 39 3.512 -7.399 19.018 274 2HZ LYS 39 2HZ LYS 39 4.102 -8.752 19.863 275 3HZ LYS 39 1HZ LYS 39 3.480 -7.422 20.709 276 H ALA 40 H ALA 40 7.754 -2.682 17.836 277 HA ALA 40 HA ALA 40 8.499 -0.940 15.624 278 1HB ALA 40 2HB ALA 40 5.990 -1.230 15.502 279 2HB ALA 40 1HB ALA 40 5.906 -0.332 17.021 280 3HB ALA 40 3HB ALA 40 6.579 0.427 15.577 281 H LEU 41 H LEU 41 8.190 1.471 16.486 282 HA LEU 41 HA LEU 41 10.119 2.303 18.090 283 1HB LEU 41 2HB LEU 41 7.365 3.500 17.867 284 2HB LEU 41 1HB LEU 41 8.711 4.339 18.627 285 HG LEU 41 HG LEU 41 8.969 3.235 15.823 286 1HD1 LEU 41 3HD1 LEU 41 7.456 5.628 16.724 287 2HD1 LEU 41 2HD1 LEU 41 8.422 5.746 15.250 288 3HD1 LEU 41 1HD1 LEU 41 7.152 4.535 15.377 289 1HD2 LEU 41 3HD2 LEU 41 10.957 4.053 17.174 290 2HD2 LEU 41 2HD2 LEU 41 10.702 4.901 15.649 291 3HD2 LEU 41 1HD2 LEU 41 10.218 5.652 17.160 292 HA PRO 42 HA PRO 42 9.308 0.742 22.147 293 1HB PRO 42 2HB PRO 42 11.312 2.034 23.475 294 2HB PRO 42 1HB PRO 42 11.528 0.563 22.498 295 1HG PRO 42 2HG PRO 42 12.162 3.403 21.803 296 2HG PRO 42 1HG PRO 42 13.004 1.905 21.340 297 1HD PRO 42 2HD PRO 42 11.309 3.248 19.657 298 2HD PRO 42 1HD PRO 42 11.640 1.501 19.548 299 H THR 43 H THR 43 9.221 1.694 24.503 300 HA THR 43 HA THR 43 7.165 3.683 24.641 301 HB THR 43 HB THR 43 7.294 3.240 27.057 302 HG1 THR 43 HG1 THR 43 9.166 1.188 26.746 303 1HG2 THR 43 2HG2 THR 43 5.960 1.847 25.479 304 2HG2 THR 43 1HG2 THR 43 7.270 0.674 25.450 305 3HG2 THR 43 3HG2 THR 43 6.417 1.011 26.957 306 H THR 44 H THR 44 7.395 5.408 26.485 307 HA THR 44 HA THR 44 9.242 7.336 25.605 308 HB THR 44 HB THR 44 7.100 7.875 26.482 309 HG1 THR 44 HG1 THR 44 7.728 9.761 27.241 310 1HG2 THR 44 2HG2 THR 44 7.090 6.236 28.429 311 2HG2 THR 44 1HG2 THR 44 8.095 7.397 29.291 312 3HG2 THR 44 3HG2 THR 44 6.473 7.849 28.788 313 H ALA 45 H ALA 45 9.642 5.198 28.372 314 HA ALA 45 HA ALA 45 11.912 6.471 29.553 315 1HB ALA 45 1HB ALA 45 11.098 3.539 29.620 316 2HB ALA 45 3HB ALA 45 12.337 4.258 30.644 317 3HB ALA 45 2HB ALA 45 10.658 4.767 30.804 318 H GLN 46 H GLN 46 11.897 3.554 27.432 319 HA GLN 46 HA GLN 46 14.705 3.487 27.003 320 1HB GLN 46 2HB GLN 46 12.514 2.518 25.118 321 2HB GLN 46 1HB GLN 46 14.211 2.073 25.007 322 1HG GLN 46 2HG GLN 46 12.841 1.559 27.616 323 2HG GLN 46 1HG GLN 46 12.397 0.546 26.254 324 1HE2 GLN 46 2HE2 GLN 46 15.489 -1.218 26.255 325 2HE2 GLN 46 1HE2 GLN 46 14.085 -0.906 25.359 326 H TYR 47 H TYR 47 12.127 5.272 25.417 327 HA TYR 47 HA TYR 47 13.390 6.341 23.145 328 1HB TYR 47 2HB TYR 47 10.988 6.875 24.693 329 2HB TYR 47 1HB TYR 47 11.758 8.383 24.255 330 HD1 TYR 47 HD2 TYR 47 10.595 5.120 22.785 331 HD2 TYR 47 HD1 TYR 47 11.552 9.265 22.149 332 HE1 TYR 47 HE2 TYR 47 9.695 4.962 20.509 333 HE2 TYR 47 HE1 TYR 47 10.652 9.123 19.860 334 HH TYR 47 HH TYR 47 8.707 7.285 18.744 335 H LYS 48 H LYS 48 13.128 7.667 26.468 336 HA LYS 48 HA LYS 48 14.620 10.029 26.141 337 1HB LYS 48 2HB LYS 48 14.438 8.274 28.625 338 2HB LYS 48 1HB LYS 48 15.142 9.873 28.611 339 1HG LYS 48 2HG LYS 48 12.293 9.424 27.734 340 2HG LYS 48 1HG LYS 48 12.703 9.528 29.428 341 1HD LYS 48 2HD LYS 48 13.056 11.673 27.316 342 2HD LYS 48 1HD LYS 48 11.943 11.675 28.666 343 1HE LYS 48 2HE LYS 48 14.229 11.429 30.057 344 2HE LYS 48 1HE LYS 48 14.874 12.219 28.626 345 1HZ LYS 48 2HZ LYS 48 12.522 13.275 30.107 346 2HZ LYS 48 1HZ LYS 48 14.120 13.720 30.471 347 3HZ LYS 48 3HZ LYS 48 13.476 14.069 28.951 348 H LEU 49 H LEU 49 15.733 6.821 27.146 349 HA LEU 49 HA LEU 49 18.525 7.435 27.317 350 1HB LEU 49 2HB LEU 49 16.944 4.930 26.992 351 2HB LEU 49 1HB LEU 49 18.676 4.827 26.663 352 HG LEU 49 HG LEU 49 17.606 6.072 29.170 353 1HD1 LEU 49 1HD1 LEU 49 16.733 3.655 28.689 354 2HD1 LEU 49 3HD1 LEU 49 18.379 3.170 29.106 355 3HD1 LEU 49 2HD1 LEU 49 17.390 4.041 30.276 356 1HD2 LEU 49 1HD2 LEU 49 20.213 4.698 28.428 357 2HD2 LEU 49 3HD2 LEU 49 19.992 6.386 28.889 358 3HD2 LEU 49 2HD2 LEU 49 19.791 5.112 30.084 359 H MET 50 H MET 50 16.520 6.431 24.558 360 HA MET 50 HA MET 50 18.665 6.111 22.683 361 1HB MET 50 2HB MET 50 15.710 6.017 22.578 362 2HB MET 50 1HB MET 50 16.531 6.415 21.079 363 1HG MET 50 2HG MET 50 17.733 4.402 21.040 364 2HG MET 50 1HG MET 50 17.447 4.088 22.750 365 1HE MET 50 1HE MET 50 15.873 4.756 19.372 366 2HE MET 50 3HE MET 50 16.156 3.013 19.184 367 3HE MET 50 2HE MET 50 14.521 3.641 19.249 368 H CYS 51 H CYS 51 16.618 8.969 23.428 369 HA CYS 51 HA CYS 51 17.282 10.426 21.092 370 1HB CYS 51 2HB CYS 51 16.786 11.726 23.776 371 2HB CYS 51 1HB CYS 51 16.617 12.456 22.194 372 H ALA 52 H ALA 52 19.040 10.188 24.142 373 HA ALA 52 HA ALA 52 21.095 12.107 23.369 374 1HB ALA 52 1HB ALA 52 20.422 11.913 25.730 375 2HB ALA 52 3HB ALA 52 21.008 10.248 25.748 376 3HB ALA 52 2HB ALA 52 22.136 11.579 25.508 377 H SER 53 H SER 53 21.105 8.608 23.915 378 HA SER 53 HA SER 53 23.605 7.775 23.660 379 1HB SER 53 2HB SER 53 22.808 5.684 22.585 380 2HB SER 53 1HB SER 53 21.822 6.231 23.908 381 HG SER 53 HG SER 53 20.937 7.207 21.482 382 H THR 54 H THR 54 25.293 8.341 22.478 383 HA THR 54 HA THR 54 25.255 9.564 19.969 384 HB THR 54 HB THR 54 27.108 9.747 21.570 385 HG1 THR 54 HG1 THR 54 28.569 10.049 20.033 386 1HG2 THR 54 3HG2 THR 54 27.883 6.955 20.690 387 2HG2 THR 54 2HG2 THR 54 28.873 8.028 21.665 388 3HG2 THR 54 1HG2 THR 54 27.356 7.414 22.309 389 H ALA 55 H ALA 55 25.557 6.109 20.667 390 HA ALA 55 HA ALA 55 26.259 5.174 18.085 391 1HB ALA 55 1HB ALA 55 25.942 3.891 20.426 392 2HB ALA 55 3HB ALA 55 24.388 3.497 19.688 393 3HB ALA 55 2HB ALA 55 25.880 3.061 18.872 394 H CYS 56 H CYS 56 23.061 5.262 19.574 395 HA CYS 56 HA CYS 56 21.690 4.534 17.243 396 1HB CYS 56 2HB CYS 56 20.918 5.306 19.956 397 2HB CYS 56 1HB CYS 56 19.734 5.842 18.760 398 H ASN 57 H ASN 57 22.625 7.658 18.476 399 HA ASN 57 HA ASN 57 21.114 9.424 16.815 400 1HB ASN 57 2HB ASN 57 23.556 9.560 18.505 401 2HB ASN 57 1HB ASN 57 23.526 10.719 17.191 402 1HD2 ASN 57 2HD2 ASN 57 20.570 11.122 20.032 403 2HD2 ASN 57 1HD2 ASN 57 21.154 9.546 19.750 404 H THR 58 H THR 58 24.247 7.849 16.337 405 HA THR 58 HA THR 58 24.906 8.949 13.812 406 HB THR 58 HB THR 58 25.560 6.204 14.957 407 HG1 THR 58 HG1 THR 58 26.907 8.684 15.140 408 1HG2 THR 58 1HG2 THR 58 26.830 7.671 12.644 409 2HG2 THR 58 3HG2 THR 58 27.581 6.306 13.467 410 3HG2 THR 58 2HG2 THR 58 26.055 6.082 12.623 411 H MET 59 H MET 59 23.359 5.865 14.598 412 HA MET 59 HA MET 59 22.652 4.799 12.144 413 1HB MET 59 2HB MET 59 21.088 4.882 14.697 414 2HB MET 59 1HB MET 59 20.492 4.057 13.286 415 1HG MET 59 2HG MET 59 22.842 2.836 13.435 416 2HG MET 59 1HG MET 59 22.754 3.353 15.120 417 1HE MET 59 3HE MET 59 19.774 3.695 15.434 418 2HE MET 59 2HE MET 59 18.748 2.632 14.502 419 3HE MET 59 1HE MET 59 19.202 2.171 16.132 420 H ILE 60 H ILE 60 20.440 6.800 14.036 421 HA ILE 60 HA ILE 60 18.522 7.160 11.966 422 HB ILE 60 HB ILE 60 18.784 8.735 14.551 423 1HG1 ILE 60 2HG1 ILE 60 17.121 6.276 13.895 424 2HG1 ILE 60 1HG1 ILE 60 18.646 6.214 14.760 425 1HG2 ILE 60 2HG2 ILE 60 16.727 8.572 12.375 426 2HG2 ILE 60 1HG2 ILE 60 16.165 8.677 14.044 427 3HG2 ILE 60 3HG2 ILE 60 17.206 9.941 13.390 428 1HD1 ILE 60 3HD1 ILE 60 17.213 8.156 16.141 429 2HD1 ILE 60 2HD1 ILE 60 15.997 6.953 15.717 430 3HD1 ILE 60 1HD1 ILE 60 17.431 6.472 16.629 431 H LYS 61 H LYS 61 20.776 9.557 13.295 432 HA LYS 61 HA LYS 61 20.160 11.664 11.543 433 1HB LYS 61 2HB LYS 61 21.813 11.637 13.528 434 2HB LYS 61 1HB LYS 61 23.012 11.082 12.371 435 1HG LYS 61 2HG LYS 61 23.052 13.093 11.232 436 2HG LYS 61 1HG LYS 61 21.422 13.547 11.693 437 1HD LYS 61 2HD LYS 61 23.782 13.461 13.600 438 2HD LYS 61 1HD LYS 61 23.216 14.913 12.783 439 1HE LYS 61 2HE LYS 61 20.910 14.282 13.906 440 2HE LYS 61 1HE LYS 61 21.922 13.323 14.975 441 1HZ LYS 61 1HZ LYS 61 23.229 15.365 15.437 442 2HZ LYS 61 3HZ LYS 61 22.124 16.265 14.519 443 3HZ LYS 61 2HZ LYS 61 21.614 15.477 15.931 444 H LYS 62 H LYS 62 22.335 8.941 10.993 445 HA LYS 62 HA LYS 62 23.370 9.668 8.447 446 1HB LYS 62 2HB LYS 62 24.344 7.862 9.803 447 2HB LYS 62 1HB LYS 62 22.893 6.907 9.614 448 1HG LYS 62 2HG LYS 62 23.515 7.262 6.998 449 2HG LYS 62 1HG LYS 62 25.133 7.385 7.694 450 1HD LYS 62 2HD LYS 62 24.852 5.249 8.828 451 2HD LYS 62 1HD LYS 62 23.194 5.141 8.258 452 1HE LYS 62 2HE LYS 62 23.898 4.097 6.413 453 2HE LYS 62 1HE LYS 62 24.818 5.511 5.940 454 1HZ LYS 62 2HZ LYS 62 26.574 4.558 7.567 455 2HZ LYS 62 1HZ LYS 62 25.688 3.110 7.406 456 3HZ LYS 62 3HZ LYS 62 26.397 3.827 6.049 457 H ILE 63 H ILE 63 20.549 7.680 9.284 458 HA ILE 63 HA ILE 63 19.705 7.220 6.603 459 HB ILE 63 HB ILE 63 17.940 7.216 9.090 460 1HG1 ILE 63 2HG1 ILE 63 19.179 4.835 7.686 461 2HG1 ILE 63 1HG1 ILE 63 19.995 5.642 9.010 462 1HG2 ILE 63 1HG2 ILE 63 17.511 6.378 6.232 463 2HG2 ILE 63 3HG2 ILE 63 16.776 5.419 7.516 464 3HG2 ILE 63 2HG2 ILE 63 16.381 7.123 7.363 465 1HD1 ILE 63 1HD1 ILE 63 17.970 5.238 10.424 466 2HD1 ILE 63 3HD1 ILE 63 17.294 4.297 9.087 467 3HD1 ILE 63 2HD1 ILE 63 18.783 3.764 9.876 468 H VAL 64 H VAL 64 18.985 9.847 8.872 469 HA VAL 64 HA VAL 64 16.996 11.237 7.376 470 HB VAL 64 HB VAL 64 19.025 12.311 9.363 471 1HG1 VAL 64 3HG1 VAL 64 17.924 14.127 8.100 472 2HG1 VAL 64 2HG1 VAL 64 16.347 13.462 8.521 473 3HG1 VAL 64 1HG1 VAL 64 17.400 14.104 9.782 474 1HG2 VAL 64 3HG2 VAL 64 17.216 10.423 10.004 475 2HG2 VAL 64 2HG2 VAL 64 17.673 11.722 11.099 476 3HG2 VAL 64 1HG2 VAL 64 16.194 11.858 10.145 477 H THR 65 H THR 65 20.517 11.504 7.508 478 HA THR 65 HA THR 65 20.887 13.729 5.783 479 HB THR 65 HB THR 65 22.896 11.468 5.818 480 HG1 THR 65 HG1 THR 65 22.352 13.271 7.928 481 1HG2 THR 65 1HG2 THR 65 22.972 14.414 5.328 482 2HG2 THR 65 3HG2 THR 65 24.430 13.584 5.870 483 3HG2 THR 65 2HG2 THR 65 23.640 13.095 4.377 484 H LEU 66 H LEU 66 20.674 10.278 5.064 485 HA LEU 66 HA LEU 66 21.124 10.484 2.249 486 1HB LEU 66 2HB LEU 66 19.400 8.389 3.583 487 2HB LEU 66 1HB LEU 66 20.175 8.278 2.017 488 HG LEU 66 HG LEU 66 21.406 8.109 4.768 489 1HD1 LEU 66 1HD1 LEU 66 20.447 6.093 3.684 490 2HD1 LEU 66 3HD1 LEU 66 21.560 6.313 2.335 491 3HD1 LEU 66 2HD1 LEU 66 22.185 5.961 3.944 492 1HD2 LEU 66 1HD2 LEU 66 22.829 8.481 2.103 493 2HD2 LEU 66 3HD2 LEU 66 22.972 9.510 3.524 494 3HD2 LEU 66 2HD2 LEU 66 23.629 7.877 3.554 495 H ASN 67 H ASN 67 18.185 10.733 4.186 496 HA ASN 67 HA ASN 67 16.056 11.378 3.770 497 1HB ASN 67 2HB ASN 67 17.569 13.321 2.692 498 2HB ASN 67 1HB ASN 67 16.767 12.779 1.215 499 1HD2 ASN 67 2HD2 ASN 67 13.471 13.757 2.444 500 2HD2 ASN 67 1HD2 ASN 67 14.181 12.538 1.505 501 HA PRO 68 HA PRO 68 15.499 7.926 0.782 502 1HB PRO 68 2HB PRO 68 13.982 6.400 2.443 503 2HB PRO 68 1HB PRO 68 15.760 6.370 2.415 504 1HG PRO 68 2HG PRO 68 13.928 7.638 4.394 505 2HG PRO 68 1HG PRO 68 15.537 6.922 4.636 506 1HD PRO 68 2HD PRO 68 15.045 9.652 4.469 507 2HD PRO 68 1HD PRO 68 16.624 8.885 4.199 508 HA PRO 69 HA PRO 69 11.368 9.025 -0.456 509 1HB PRO 69 2HB PRO 69 10.551 6.821 -1.802 510 2HB PRO 69 1HB PRO 69 11.796 7.926 -2.401 511 1HG PRO 69 2HG PRO 69 12.128 5.185 -1.336 512 2HG PRO 69 1HG PRO 69 13.181 6.115 -2.421 513 1HD PRO 69 2HD PRO 69 13.558 5.715 0.371 514 2HD PRO 69 1HD PRO 69 14.500 6.763 -0.711 515 H ASN 70 H ASN 70 9.072 8.568 -0.179 516 HA ASN 70 HA ASN 70 8.513 7.213 2.342 517 1HB ASN 70 2HB ASN 70 7.478 9.455 1.846 518 2HB ASN 70 1HB ASN 70 6.474 8.655 0.632 519 1HD2 ASN 70 2HD2 ASN 70 4.113 7.934 3.158 520 2HD2 ASN 70 1HD2 ASN 70 4.382 8.509 1.584 521 H CYS 71 H CYS 71 8.075 5.264 2.483 522 HA CYS 71 HA CYS 71 6.031 3.885 1.174 523 1HB CYS 71 2HB CYS 71 7.163 2.221 -0.108 524 2HB CYS 71 1HB CYS 71 7.733 3.768 -0.682 525 H ASP 72 H ASP 72 5.764 1.681 1.950 526 HA ASP 72 HA ASP 72 6.531 1.537 4.767 527 1HB ASP 72 2HB ASP 72 4.442 0.318 3.068 528 2HB ASP 72 1HB ASP 72 5.006 -0.669 4.409 529 H LEU 73 H LEU 73 7.813 0.041 5.718 530 HA LEU 73 HA LEU 73 9.075 -2.022 4.001 531 1HB LEU 73 2HB LEU 73 10.384 0.165 4.957 532 2HB LEU 73 1HB LEU 73 10.598 -0.920 6.316 533 HG LEU 73 HG LEU 73 12.487 -1.071 4.786 534 1HD1 LEU 73 2HD1 LEU 73 11.774 -3.064 6.041 535 2HD1 LEU 73 1HD1 LEU 73 10.795 -3.570 4.664 536 3HD1 LEU 73 3HD1 LEU 73 12.554 -3.479 4.509 537 1HD2 LEU 73 2HD2 LEU 73 11.328 -0.491 2.661 538 2HD2 LEU 73 1HD2 LEU 73 12.237 -1.994 2.514 539 3HD2 LEU 73 3HD2 LEU 73 10.484 -2.038 2.705 540 H THR 74 H THR 74 7.967 -3.764 4.583 541 HA THR 74 HA THR 74 7.126 -4.270 7.302 542 HB THR 74 HB THR 74 7.092 -6.447 5.246 543 HG1 THR 74 HG1 THR 74 6.117 -4.992 3.999 544 1HG2 THR 74 3HG2 THR 74 5.445 -5.649 7.610 545 2HG2 THR 74 2HG2 THR 74 4.751 -6.661 6.344 546 3HG2 THR 74 1HG2 THR 74 6.174 -7.211 7.229 547 H VAL 75 H VAL 75 7.731 -5.905 8.670 548 HA VAL 75 HA VAL 75 10.463 -7.022 8.326 549 HB VAL 75 HB VAL 75 9.037 -6.204 10.892 550 1HG1 VAL 75 3HG1 VAL 75 10.618 -8.184 11.158 551 2HG1 VAL 75 2HG1 VAL 75 11.923 -7.104 10.682 552 3HG1 VAL 75 1HG1 VAL 75 10.991 -6.770 12.131 553 1HG2 VAL 75 2HG2 VAL 75 11.321 -4.976 9.339 554 2HG2 VAL 75 1HG2 VAL 75 9.769 -4.254 9.725 555 3HG2 VAL 75 3HG2 VAL 75 10.951 -4.528 11.003 556 HA PRO 76 HA PRO 76 7.972 -10.796 8.441 557 1HB PRO 76 2HB PRO 76 9.904 -12.486 7.574 558 2HB PRO 76 1HB PRO 76 8.936 -11.451 6.505 559 1HG PRO 76 2HG PRO 76 11.764 -11.169 7.319 560 2HG PRO 76 1HG PRO 76 10.931 -10.565 5.873 561 1HD PRO 76 2HD PRO 76 11.631 -9.027 8.125 562 2HD PRO 76 1HD PRO 76 10.551 -8.545 6.805 563 H THR 77 H THR 77 10.886 -10.315 10.387 564 HA THR 77 HA THR 77 10.336 -12.816 11.849 565 HB THR 77 HB THR 77 12.581 -12.349 10.873 566 HG1 THR 77 HG1 THR 77 12.873 -13.847 12.306 567 1HG2 THR 77 1HG2 THR 77 12.557 -10.120 12.866 568 2HG2 THR 77 3HG2 THR 77 14.079 -10.903 12.432 569 3HG2 THR 77 2HG2 THR 77 13.095 -10.136 11.189 570 H SER 78 H SER 78 8.853 -10.105 12.193 571 HA SER 78 HA SER 78 8.823 -10.226 15.148 572 1HB SER 78 2HB SER 78 8.887 -7.934 15.482 573 2HB SER 78 1HB SER 78 10.104 -8.196 14.265 574 HG SER 78 HG SER 78 8.718 -7.306 12.762 575 H GLY 79 H GLY 79 6.952 -9.338 12.293 576 1HA GLY 79 2HA GLY 79 4.656 -9.939 11.950 577 2HA GLY 79 1HA GLY 79 4.431 -9.997 13.702 578 H LEU 80 H LEU 80 5.882 -7.457 11.592 579 HA LEU 80 HA LEU 80 3.810 -5.561 11.890 580 1HB LEU 80 2HB LEU 80 5.201 -5.749 14.247 581 2HB LEU 80 1HB LEU 80 6.065 -4.455 13.441 582 HG LEU 80 HG LEU 80 3.221 -4.082 13.087 583 1HD1 LEU 80 1HD1 LEU 80 4.142 -4.771 15.838 584 2HD1 LEU 80 3HD1 LEU 80 2.936 -3.500 15.636 585 3HD1 LEU 80 2HD1 LEU 80 2.613 -5.120 15.032 586 1HD2 LEU 80 2HD2 LEU 80 5.552 -2.527 13.520 587 2HD2 LEU 80 1HD2 LEU 80 3.919 -1.933 13.260 588 3HD2 LEU 80 3HD2 LEU 80 4.503 -2.196 14.896 589 H VAL 81 H VAL 81 4.387 -3.409 11.141 590 HA VAL 81 HA VAL 81 6.441 -3.427 9.020 591 HB VAL 81 HB VAL 81 3.945 -3.160 8.657 592 1HG1 VAL 81 2HG1 VAL 81 3.478 -1.505 10.405 593 2HG1 VAL 81 1HG1 VAL 81 4.440 -0.315 9.531 594 3HG1 VAL 81 3HG1 VAL 81 2.962 -0.960 8.816 595 1HG2 VAL 81 3HG2 VAL 81 5.769 -2.636 6.987 596 2HG2 VAL 81 2HG2 VAL 81 4.258 -1.755 6.750 597 3HG2 VAL 81 1HG2 VAL 81 5.635 -0.945 7.479 598 H LEU 82 H LEU 82 7.635 -1.510 8.583 599 HA LEU 82 HA LEU 82 7.999 0.464 10.738 600 1HB LEU 82 2HB LEU 82 9.793 -1.213 11.043 601 2HB LEU 82 1HB LEU 82 10.227 -1.060 9.347 602 HG LEU 82 HG LEU 82 10.907 1.291 9.750 603 1HD1 LEU 82 1HD1 LEU 82 10.137 0.648 12.608 604 2HD1 LEU 82 3HD1 LEU 82 11.158 2.015 12.168 605 3HD1 LEU 82 2HD1 LEU 82 9.494 1.941 11.598 606 1HD2 LEU 82 2HD2 LEU 82 12.464 -0.730 10.111 607 2HD2 LEU 82 1HD2 LEU 82 12.959 0.792 10.844 608 3HD2 LEU 82 3HD2 LEU 82 12.220 -0.463 11.834 609 H ASN 83 H ASN 83 7.861 2.451 9.913 610 HA ASN 83 HA ASN 83 7.977 2.882 6.994 611 1HB ASN 83 2HB ASN 83 6.310 3.893 9.007 612 2HB ASN 83 1HB ASN 83 7.411 5.223 8.688 613 1HD2 ASN 83 2HD2 ASN 83 6.119 5.749 5.358 614 2HD2 ASN 83 1HD2 ASN 83 7.499 6.018 6.299 615 H VAL 84 H VAL 84 10.225 2.792 6.598 616 HA VAL 84 HA VAL 84 12.284 3.994 8.117 617 HB VAL 84 HB VAL 84 12.401 3.597 5.113 618 1HG1 VAL 84 1HG1 VAL 84 14.546 3.690 7.250 619 2HG1 VAL 84 3HG1 VAL 84 14.837 3.252 5.568 620 3HG1 VAL 84 2HG1 VAL 84 14.286 4.874 5.975 621 1HG2 VAL 84 2HG2 VAL 84 11.731 1.511 6.499 622 2HG2 VAL 84 1HG2 VAL 84 13.125 1.358 5.441 623 3HG2 VAL 84 3HG2 VAL 84 13.359 1.596 7.171 624 H TYR 85 H TYR 85 10.271 5.528 5.687 625 HA TYR 85 HA TYR 85 11.766 7.960 5.349 626 1HB TYR 85 2HB TYR 85 9.917 7.202 3.818 627 2HB TYR 85 1HB TYR 85 8.757 7.510 5.076 628 HD1 TYR 85 HD2 TYR 85 11.532 9.244 3.272 629 HD2 TYR 85 HD1 TYR 85 7.654 9.631 5.073 630 HE1 TYR 85 HE2 TYR 85 11.414 11.598 2.517 631 HE2 TYR 85 HE1 TYR 85 7.540 11.986 4.318 632 HH TYR 85 HH TYR 85 10.156 13.707 3.321 633 H SER 86 H SER 86 8.768 7.351 7.167 634 HA SER 86 HA SER 86 8.948 9.733 8.749 635 1HB SER 86 2HB SER 86 6.876 7.924 8.312 636 2HB SER 86 1HB SER 86 7.308 7.642 9.990 637 HG SER 86 HG SER 86 6.410 9.514 10.437 638 H TYR 87 H TYR 87 10.620 6.787 9.176 639 HA TYR 87 HA TYR 87 10.943 6.717 12.006 640 1HB TYR 87 2HB TYR 87 11.577 4.888 10.463 641 2HB TYR 87 1HB TYR 87 12.809 5.858 9.749 642 HD1 TYR 87 HD1 TYR 87 11.760 4.835 13.216 643 HD2 TYR 87 HD2 TYR 87 14.961 5.491 10.435 644 HE1 TYR 87 HE1 TYR 87 13.406 4.079 14.933 645 HE2 TYR 87 HE2 TYR 87 16.607 4.737 12.142 646 HH TYR 87 HH TYR 87 16.291 4.690 15.138 647 H ALA 88 H ALA 88 13.100 7.910 9.481 648 HA ALA 88 HA ALA 88 15.065 9.222 10.949 649 1HB ALA 88 1HB ALA 88 13.973 9.459 8.187 650 2HB ALA 88 3HB ALA 88 15.249 10.553 8.720 651 3HB ALA 88 2HB ALA 88 15.519 8.799 8.724 652 H ASN 89 H ASN 89 12.421 10.910 9.313 653 HA ASN 89 HA ASN 89 12.923 13.345 10.780 654 1HB ASN 89 2HB ASN 89 10.714 14.138 9.577 655 2HB ASN 89 1HB ASN 89 12.224 13.982 8.721 656 1HD2 ASN 89 2HD2 ASN 89 10.981 11.473 6.528 657 2HD2 ASN 89 1HD2 ASN 89 12.333 12.382 6.987 658 H GLY 90 H GLY 90 10.676 10.728 11.351 659 1HA GLY 90 2HA GLY 90 8.938 12.233 13.112 660 2HA GLY 90 1HA GLY 90 8.902 10.504 12.824 661 H PHE 91 H PHE 91 11.455 9.712 13.702 662 HA PHE 91 HA PHE 91 11.318 9.307 16.434 663 1HB PHE 91 2HB PHE 91 12.925 8.201 14.906 664 2HB PHE 91 1HB PHE 91 13.854 9.667 14.812 665 HD1 PHE 91 HD2 PHE 91 12.803 6.903 17.087 666 HD2 PHE 91 HD1 PHE 91 15.332 10.346 16.576 667 HE1 PHE 91 HE2 PHE 91 14.089 6.279 19.100 668 HE2 PHE 91 HE1 PHE 91 16.613 9.723 18.580 669 HZ PHE 91 HZ PHE 91 15.994 7.681 19.859 670 H SER 92 H SER 92 13.505 11.701 15.005 671 HA SER 92 HA SER 92 14.258 13.040 17.371 672 1HB SER 92 2HB SER 92 15.255 13.220 14.942 673 2HB SER 92 1HB SER 92 14.123 14.556 14.770 674 HG SER 92 HG SER 92 15.581 15.658 15.861 675 H ASN 93 H ASN 93 11.580 13.808 15.168 676 HA ASN 93 HA ASN 93 10.670 16.213 16.317 677 1HB ASN 93 2HB ASN 93 9.934 15.128 14.131 678 2HB ASN 93 1HB ASN 93 8.940 14.042 15.080 679 1HD2 ASN 93 2HD2 ASN 93 6.363 16.431 15.503 680 2HD2 ASN 93 1HD2 ASN 93 6.876 14.845 15.798 681 H LYS 94 H LYS 94 9.702 12.802 17.073 682 HA LYS 94 HA LYS 94 8.069 13.646 19.305 683 1HB LYS 94 2HB LYS 94 7.657 11.687 17.742 684 2HB LYS 94 1HB LYS 94 8.972 10.850 18.561 685 1HG LYS 94 2HG LYS 94 6.995 11.980 20.425 686 2HG LYS 94 1HG LYS 94 6.305 10.777 19.320 687 1HD LYS 94 2HD LYS 94 8.336 9.367 19.767 688 2HD LYS 94 1HD LYS 94 8.710 10.450 21.097 689 1HE LYS 94 2HE LYS 94 6.753 9.814 22.312 690 2HE LYS 94 1HE LYS 94 6.012 9.093 20.889 691 1HZ LYS 94 1HZ LYS 94 8.461 8.056 22.221 692 2HZ LYS 94 3HZ LYS 94 6.914 7.410 22.425 693 3HZ LYS 94 2HZ LYS 94 7.642 7.350 20.908 694 H CYS 95 H CYS 95 11.511 13.144 18.999 695 HA CYS 95 HA CYS 95 11.902 12.283 21.745 696 1HB CYS 95 2HB CYS 95 13.741 13.051 19.496 697 2HB CYS 95 1HB CYS 95 14.315 13.483 21.091 698 H SER 96 H SER 96 12.260 15.401 19.987 699 HA SER 96 HA SER 96 12.691 16.950 22.357 700 1HB SER 96 2HB SER 96 13.147 17.673 19.874 701 2HB SER 96 1HB SER 96 11.451 18.117 19.857 702 HG SER 96 HG SER 96 13.070 19.780 20.495 703 H SER 97 H SER 97 9.781 16.042 20.581 704 HA SER 97 HA SER 97 7.972 17.544 22.353 705 1HB SER 97 2HB SER 97 7.438 15.858 19.905 706 2HB SER 97 1HB SER 97 6.212 16.715 20.810 707 HG SER 97 HG SER 97 7.220 18.662 20.213 708 H LEU 98 HN LEU 98 9.414 14.566 22.787 709 HA LEU 98 HA LEU 98 7.708 12.581 23.307 710 1HB LEU 98 2HB LEU 98 10.186 12.756 23.756 711 2HB LEU 98 1HB LEU 98 9.764 13.445 25.315 712 HG LEU 98 HG LEU 98 8.379 11.357 25.742 713 1HD1 LEU 98 3HD1 LEU 98 9.807 10.531 23.209 714 2HD1 LEU 98 2HD1 LEU 98 9.225 9.351 24.384 715 3HD1 LEU 98 1HD1 LEU 98 8.083 10.423 23.574 716 1HD2 LEU 98 1HD2 LEU 98 10.621 11.703 26.717 717 2HD2 LEU 98 3HD2 LEU 98 10.343 10.003 26.336 718 3HD2 LEU 98 2HD2 LEU 98 11.353 10.988 25.276 No H/Q in entry = 718 Start of MODEL 10 1 1H THR 1 2H THR 1 2.190 -5.944 -0.385 2 2H THR 1 1H THR 1 2.401 -6.361 -2.019 3 3H THR 1 3H THR 1 2.682 -7.515 -0.813 4 HA THR 1 HA THR 1 4.581 -6.433 -0.038 5 HB THR 1 HB THR 1 5.947 -6.150 -2.235 6 HG1 THR 1 HG1 THR 1 4.935 -6.447 -4.072 7 1HG2 THR 1 1HG2 THR 1 5.702 -8.258 -0.815 8 2HG2 THR 1 3HG2 THR 1 4.498 -8.777 -1.995 9 3HG2 THR 1 2HG2 THR 1 6.155 -8.476 -2.501 10 H ALA 2 H ALA 2 5.662 -4.597 0.461 11 HA ALA 2 HA ALA 2 4.408 -2.054 -0.270 12 1HB ALA 2 2HB ALA 2 4.787 -2.679 2.066 13 2HB ALA 2 1HB ALA 2 6.530 -2.651 1.795 14 3HB ALA 2 3HB ALA 2 5.585 -1.171 1.639 15 H CYS 3 H CYS 3 6.126 -0.072 -0.332 16 HA CYS 3 HA CYS 3 7.396 1.107 -1.872 17 1HB CYS 3 2HB CYS 3 9.291 -1.168 -1.220 18 2HB CYS 3 1HB CYS 3 9.763 0.299 -2.012 19 H THR 4 H THR 4 9.383 -0.231 -3.803 20 HA THR 4 HA THR 4 8.082 -1.936 -5.571 21 HB THR 4 HB THR 4 7.556 0.981 -5.915 22 HG1 THR 4 HG1 THR 4 6.242 -1.410 -6.678 23 1HG2 THR 4 3HG2 THR 4 8.269 -0.716 -8.308 24 2HG2 THR 4 2HG2 THR 4 7.381 0.811 -8.403 25 3HG2 THR 4 1HG2 THR 4 9.036 0.780 -7.782 26 H ALA 5 H ALA 5 9.838 -3.010 -6.013 27 HA ALA 5 HA ALA 5 12.020 -3.600 -6.170 28 1HB ALA 5 1HB ALA 5 11.257 -2.115 -8.642 29 2HB ALA 5 3HB ALA 5 12.896 -2.746 -8.489 30 3HB ALA 5 2HB ALA 5 11.522 -3.835 -8.382 31 H THR 6 H THR 6 12.588 -0.380 -7.558 32 HA THR 6 HA THR 6 15.177 -0.068 -6.468 33 HB THR 6 HB THR 6 14.884 2.380 -7.001 34 HG1 THR 6 HG1 THR 6 12.429 1.813 -8.233 35 1HG2 THR 6 2HG2 THR 6 15.585 0.504 -8.651 36 2HG2 THR 6 1HG2 THR 6 14.008 0.776 -9.388 37 3HG2 THR 6 3HG2 THR 6 15.171 2.095 -9.278 38 H GLN 7 H GLN 7 12.073 1.252 -5.352 39 HA GLN 7 HA GLN 7 12.903 2.704 -3.089 40 1HB GLN 7 2HB GLN 7 10.370 1.268 -3.800 41 2HB GLN 7 1HB GLN 7 10.537 1.984 -2.218 42 1HG GLN 7 2HG GLN 7 10.430 4.119 -3.034 43 2HG GLN 7 1HG GLN 7 11.185 3.705 -4.576 44 1HE2 GLN 7 2HE2 GLN 7 8.060 3.236 -6.180 45 2HE2 GLN 7 1HE2 GLN 7 9.734 3.438 -6.356 46 H GLN 8 H GLN 8 12.325 -0.750 -3.470 47 HA GLN 8 HA GLN 8 12.461 -1.457 -0.681 48 1HB GLN 8 2HB GLN 8 12.761 -3.148 -3.183 49 2HB GLN 8 1HB GLN 8 12.748 -3.806 -1.564 50 1HG GLN 8 2HG GLN 8 10.453 -2.074 -2.399 51 2HG GLN 8 1HG GLN 8 10.548 -3.711 -3.048 52 1HE2 GLN 8 2HE2 GLN 8 10.179 -5.180 0.297 53 2HE2 GLN 8 1HE2 GLN 8 11.035 -5.502 -1.132 54 H THR 9 H THR 9 14.781 -2.172 -3.259 55 HA THR 9 HA THR 9 16.848 -2.941 -1.458 56 HB THR 9 HB THR 9 16.761 -3.535 -3.890 57 HG1 THR 9 HG1 THR 9 18.747 -3.957 -3.174 58 1HG2 THR 9 2HG2 THR 9 16.121 -1.345 -4.699 59 2HG2 THR 9 1HG2 THR 9 17.692 -0.697 -4.212 60 3HG2 THR 9 3HG2 THR 9 17.605 -1.907 -5.499 61 H ALA 10 H ALA 10 15.790 0.259 -2.335 62 HA ALA 10 HA ALA 10 18.230 1.655 -1.629 63 1HB ALA 10 3HB ALA 10 15.334 2.648 -1.754 64 2HB ALA 10 2HB ALA 10 16.735 3.696 -1.589 65 3HB ALA 10 1HB ALA 10 16.496 2.776 -3.074 66 H ALA 11 H ALA 11 15.121 0.880 -0.092 67 HA ALA 11 HA ALA 11 15.634 1.922 2.499 68 1HB ALA 11 3HB ALA 11 13.988 -0.507 1.655 69 2HB ALA 11 2HB ALA 11 13.936 0.200 3.265 70 3HB ALA 11 1HB ALA 11 13.374 1.130 1.872 71 H TYR 12 H TYR 12 16.287 -1.197 0.990 72 HA TYR 12 HA TYR 12 17.484 -2.625 3.098 73 1HB TYR 12 2HB TYR 12 17.867 -2.756 0.095 74 2HB TYR 12 1HB TYR 12 18.770 -3.787 1.184 75 HD1 TYR 12 HD2 TYR 12 15.270 -2.823 1.898 76 HD2 TYR 12 HD1 TYR 12 17.877 -5.796 0.248 77 HE1 TYR 12 HE2 TYR 12 13.392 -4.430 1.928 78 HE2 TYR 12 HE1 TYR 12 16.000 -7.426 0.268 79 HH TYR 12 HH TYR 12 13.017 -6.830 0.306 80 H LYS 13 H LYS 13 18.933 -0.435 0.666 81 HA LYS 13 HA LYS 13 21.638 -0.734 1.241 82 1HB LYS 13 2HB LYS 13 20.384 0.760 -0.522 83 2HB LYS 13 1HB LYS 13 20.527 2.020 0.693 84 1HG LYS 13 2HG LYS 13 23.105 0.829 0.480 85 2HG LYS 13 1HG LYS 13 22.496 0.988 -1.154 86 1HD LYS 13 2HD LYS 13 23.698 2.989 -0.661 87 2HD LYS 13 1HD LYS 13 22.004 3.407 -0.687 88 1HE LYS 13 2HE LYS 13 23.097 4.522 1.164 89 2HE LYS 13 1HE LYS 13 21.979 3.339 1.811 90 1HZ LYS 13 2HZ LYS 13 24.856 2.712 1.410 91 2HZ LYS 13 1HZ LYS 13 24.310 3.474 2.819 92 3HZ LYS 13 3HZ LYS 13 23.745 1.928 2.430 93 H THR 14 H THR 14 19.456 1.784 2.688 94 HA THR 14 HA THR 14 21.474 2.287 4.700 95 HB THR 14 HB THR 14 20.003 4.057 3.873 96 HG1 THR 14 HG1 THR 14 20.561 4.974 5.628 97 1HG2 THR 14 1HG2 THR 14 17.813 2.580 4.177 98 2HG2 THR 14 3HG2 THR 14 17.826 3.311 5.787 99 3HG2 THR 14 2HG2 THR 14 17.771 4.333 4.354 100 H LEU 15 H LEU 15 18.345 0.658 5.040 101 HA LEU 15 HA LEU 15 18.376 -0.016 7.762 102 1HB LEU 15 2HB LEU 15 17.222 -1.352 5.326 103 2HB LEU 15 1HB LEU 15 17.183 -2.179 6.850 104 HG LEU 15 HG LEU 15 15.645 -0.591 7.759 105 1HD1 LEU 15 1HD1 LEU 15 16.856 1.435 6.485 106 2HD1 LEU 15 3HD1 LEU 15 15.546 1.155 5.340 107 3HD1 LEU 15 2HD1 LEU 15 15.189 1.538 7.021 108 1HD2 LEU 15 2HD2 LEU 15 14.746 -2.222 6.168 109 2HD2 LEU 15 1HD2 LEU 15 13.816 -0.729 6.141 110 3HD2 LEU 15 3HD2 LEU 15 14.969 -1.073 4.854 111 H VAL 16 H VAL 16 19.341 -2.222 5.112 112 HA VAL 16 HA VAL 16 20.532 -4.211 6.698 113 HB VAL 16 HB VAL 16 21.298 -3.558 3.819 114 1HG1 VAL 16 3HG1 VAL 16 22.717 -5.264 4.922 115 2HG1 VAL 16 2HG1 VAL 16 21.249 -6.178 5.332 116 3HG1 VAL 16 1HG1 VAL 16 21.707 -5.947 3.641 117 1HG2 VAL 16 1HG2 VAL 16 18.753 -3.925 4.250 118 2HG2 VAL 16 3HG2 VAL 16 19.546 -4.920 3.031 119 3HG2 VAL 16 2HG2 VAL 16 19.210 -5.582 4.628 120 H SER 17 H SER 17 22.079 -1.329 5.183 121 HA SER 17 HA SER 17 24.748 -1.920 5.948 122 1HB SER 17 2HB SER 17 23.332 0.738 5.583 123 2HB SER 17 1HB SER 17 25.020 0.628 6.017 124 HG SER 17 HG SER 17 23.672 -0.118 3.655 125 H ILE 18 H ILE 18 22.035 -0.697 7.840 126 HA ILE 18 HA ILE 18 23.753 -0.389 10.208 127 HB ILE 18 HB ILE 18 21.432 1.107 9.123 128 1HG1 ILE 18 2HG1 ILE 18 23.719 1.957 9.180 129 2HG1 ILE 18 1HG1 ILE 18 22.622 2.967 10.121 130 1HG2 ILE 18 2HG2 ILE 18 21.601 0.550 12.074 131 2HG2 ILE 18 1HG2 ILE 18 21.054 2.121 11.490 132 3HG2 ILE 18 3HG2 ILE 18 20.165 0.657 11.057 133 1HD1 ILE 18 1HD1 ILE 18 23.710 0.892 11.810 134 2HD1 ILE 18 3HD1 ILE 18 25.026 1.752 11.016 135 3HD1 ILE 18 2HD1 ILE 18 23.841 2.628 12.000 136 H LEU 19 H LEU 19 23.732 -2.761 10.105 137 HA LEU 19 HA LEU 19 21.752 -3.808 12.009 138 1HB LEU 19 2HB LEU 19 22.127 -4.941 9.241 139 2HB LEU 19 1HB LEU 19 21.537 -5.931 10.568 140 HG LEU 19 HG LEU 19 20.269 -3.371 9.570 141 1HD1 LEU 19 1HD1 LEU 19 20.193 -5.731 8.286 142 2HD1 LEU 19 3HD1 LEU 19 18.858 -5.971 9.413 143 3HD1 LEU 19 2HD1 LEU 19 18.841 -4.600 8.304 144 1HD2 LEU 19 1HD2 LEU 19 19.584 -5.274 11.817 145 2HD2 LEU 19 3HD2 LEU 19 19.666 -3.513 11.844 146 3HD2 LEU 19 2HD2 LEU 19 18.327 -4.313 11.027 147 H SER 20 H SER 20 24.400 -5.050 9.923 148 HA SER 20 HA SER 20 25.528 -6.540 12.234 149 1HB SER 20 2HB SER 20 24.870 -7.420 9.812 150 2HB SER 20 1HB SER 20 26.446 -6.797 9.386 151 HG SER 20 HG SER 20 27.339 -8.367 10.517 152 H ASP 21 H ASP 21 25.880 -3.744 12.276 153 HA ASP 21 HA ASP 21 28.764 -3.295 11.703 154 1HB ASP 21 2HB ASP 21 26.848 -2.015 10.514 155 2HB ASP 21 1HB ASP 21 26.708 -1.133 12.029 156 H ALA 22 H ALA 22 29.861 -1.784 13.262 157 HA ALA 22 HA ALA 22 29.280 -2.494 16.013 158 1HB ALA 22 1HB ALA 22 31.549 -1.300 14.574 159 2HB ALA 22 3HB ALA 22 31.356 -0.761 16.244 160 3HB ALA 22 2HB ALA 22 31.510 -2.475 15.886 161 H SER 23 H SER 23 27.547 -0.288 14.471 162 HA SER 23 HA SER 23 27.615 1.826 16.537 163 1HB SER 23 2HB SER 23 27.720 2.368 14.047 164 2HB SER 23 1HB SER 23 26.092 1.735 13.911 165 HG SER 23 HG SER 23 25.567 3.717 14.460 166 H PHE 24 H PHE 24 25.286 -0.222 14.766 167 HA PHE 24 HA PHE 24 23.035 0.243 16.438 168 1HB PHE 24 2HB PHE 24 22.641 -0.519 14.213 169 2HB PHE 24 1HB PHE 24 23.763 -1.839 14.340 170 HD1 PHE 24 HD1 PHE 24 20.475 -0.565 15.610 171 HD2 PHE 24 HD2 PHE 24 22.911 -4.030 14.884 172 HE1 PHE 24 HE1 PHE 24 18.566 -2.031 16.141 173 HE2 PHE 24 HE2 PHE 24 20.995 -5.492 15.418 174 HZ PHE 24 HZ PHE 24 18.820 -4.504 16.046 175 H ASN 25 H ASN 25 25.469 -2.382 16.391 176 HA ASN 25 HA ASN 25 24.479 -3.842 18.619 177 1HB ASN 25 2HB ASN 25 26.938 -3.854 17.012 178 2HB ASN 25 1HB ASN 25 27.283 -4.131 18.703 179 1HD2 ASN 25 2HD2 ASN 25 25.718 -7.351 18.757 180 2HD2 ASN 25 1HD2 ASN 25 26.288 -6.095 19.745 181 H GLN 26 H GLN 26 26.736 -1.141 18.397 182 HA GLN 26 HA GLN 26 27.530 -0.942 21.115 183 1HB GLN 26 2HB GLN 26 28.659 0.150 19.148 184 2HB GLN 26 1HB GLN 26 27.363 1.332 19.126 185 1HG GLN 26 2HG GLN 26 28.823 2.505 20.417 186 2HG GLN 26 1HG GLN 26 28.151 1.542 21.721 187 1HE2 GLN 26 2HE2 GLN 26 31.178 -0.310 22.187 188 2HE2 GLN 26 1HE2 GLN 26 29.535 -0.234 22.595 189 H CYS 27 H CYS 27 24.834 0.617 19.420 190 HA CYS 27 HA CYS 27 24.015 2.095 21.774 191 1HB CYS 27 2HB CYS 27 23.314 2.559 19.212 192 2HB CYS 27 1HB CYS 27 21.932 1.566 19.669 193 H SER 28 H SER 28 22.655 -0.761 20.111 194 HA SER 28 HA SER 28 20.545 -1.427 21.745 195 1HB SER 28 2HB SER 28 21.640 -2.658 19.634 196 2HB SER 28 1HB SER 28 22.272 -3.705 20.886 197 HG SER 28 HG SER 28 20.317 -4.554 20.509 198 H THR 29 H THR 29 23.932 -2.288 22.415 199 HA THR 29 HA THR 29 23.626 -3.924 24.670 200 HB THR 29 HB THR 29 25.819 -2.047 23.808 201 HG1 THR 29 HG1 THR 29 25.457 -3.986 22.627 202 1HG2 THR 29 3HG2 THR 29 25.939 -3.960 26.157 203 2HG2 THR 29 2HG2 THR 29 27.332 -3.180 25.414 204 3HG2 THR 29 1HG2 THR 29 26.111 -2.206 26.227 205 H ASP 30 H ASP 30 24.182 -0.433 24.773 206 HA ASP 30 HA ASP 30 23.746 -0.169 27.622 207 1HB ASP 30 2HB ASP 30 23.782 2.051 25.588 208 2HB ASP 30 1HB ASP 30 24.037 2.203 27.312 209 H SER 31 H SER 31 22.017 1.233 24.893 210 HA SER 31 HA SER 31 19.375 0.632 25.551 211 1HB SER 31 2HB SER 31 20.454 3.085 26.889 212 2HB SER 31 1HB SER 31 18.895 3.275 26.089 213 HG SER 31 HG SER 31 18.320 2.442 28.030 214 H GLY 32 H GLY 32 19.472 0.218 23.421 215 1HA GLY 32 2HA GLY 32 19.307 2.506 21.555 216 2HA GLY 32 1HA GLY 32 20.327 1.144 21.157 217 H TYR 33 H TYR 33 17.954 -0.538 22.481 218 HA TYR 33 HA TYR 33 16.144 -1.665 21.904 219 1HB TYR 33 2HB TYR 33 14.682 -0.039 21.836 220 2HB TYR 33 1HB TYR 33 15.729 1.023 20.970 221 HD1 TYR 33 HD1 TYR 33 12.977 -1.480 20.597 222 HD2 TYR 33 HD2 TYR 33 15.687 1.194 18.580 223 HE1 TYR 33 HE1 TYR 33 11.647 -1.670 18.558 224 HE2 TYR 33 HE2 TYR 33 14.355 1.008 16.535 225 HH TYR 33 HH TYR 33 11.662 0.380 16.168 226 H SER 34 H SER 34 15.156 -3.099 20.374 227 HA SER 34 HA SER 34 17.116 -4.012 18.379 228 1HB SER 34 2HB SER 34 14.634 -5.468 19.371 229 2HB SER 34 1HB SER 34 15.858 -6.101 18.297 230 HG SER 34 HG SER 34 16.759 -6.700 20.118 231 H MET 35 H MET 35 16.930 -3.309 16.387 232 HA MET 35 HA MET 35 14.365 -2.458 15.237 233 1HB MET 35 2HB MET 35 16.628 -1.228 15.161 234 2HB MET 35 1HB MET 35 17.083 -2.386 13.928 235 1HG MET 35 2HG MET 35 15.582 -1.499 12.376 236 2HG MET 35 1HG MET 35 14.514 -0.850 13.630 237 1HE MET 35 1HE MET 35 17.273 -0.455 11.290 238 2HE MET 35 3HE MET 35 16.229 0.929 10.904 239 3HE MET 35 2HE MET 35 17.867 1.186 11.472 240 H LEU 36 H LEU 36 16.760 -5.017 14.814 241 HA LEU 36 HA LEU 36 15.358 -6.130 12.522 242 1HB LEU 36 2HB LEU 36 17.293 -7.214 11.983 243 2HB LEU 36 1HB LEU 36 17.889 -5.832 12.828 244 HG LEU 36 HG LEU 36 19.208 -7.640 13.446 245 1HD1 LEU 36 2HD1 LEU 36 17.267 -7.126 15.680 246 2HD1 LEU 36 1HD1 LEU 36 18.755 -8.058 15.869 247 3HD1 LEU 36 3HD1 LEU 36 18.831 -6.371 15.371 248 1HD2 LEU 36 2HD2 LEU 36 17.261 -9.347 12.781 249 2HD2 LEU 36 1HD2 LEU 36 18.616 -9.812 13.800 250 3HD2 LEU 36 3HD2 LEU 36 17.067 -9.410 14.535 251 H THR 37 H THR 37 15.014 -6.647 15.855 252 HA THR 37 HA THR 37 13.291 -8.929 15.317 253 HB THR 37 HB THR 37 15.483 -9.910 15.644 254 HG1 THR 37 HG1 THR 37 14.855 -11.404 17.203 255 1HG2 THR 37 3HG2 THR 37 15.485 -8.303 18.171 256 2HG2 THR 37 2HG2 THR 37 16.308 -9.866 18.154 257 3HG2 THR 37 1HG2 THR 37 16.787 -8.605 17.021 258 H ALA 38 H ALA 38 12.202 -6.645 15.855 259 HA ALA 38 HA ALA 38 10.900 -7.000 18.460 260 1HB ALA 38 1HB ALA 38 12.921 -5.405 18.683 261 2HB ALA 38 3HB ALA 38 11.924 -4.259 17.795 262 3HB ALA 38 2HB ALA 38 11.375 -4.886 19.350 263 H LYS 39 H LYS 39 9.015 -5.389 18.684 264 HA LYS 39 HA LYS 39 7.435 -5.303 16.218 265 1HB LYS 39 2HB LYS 39 6.927 -4.812 19.151 266 2HB LYS 39 1HB LYS 39 5.771 -4.230 17.987 267 1HG LYS 39 2HG LYS 39 4.873 -6.287 18.379 268 2HG LYS 39 1HG LYS 39 5.953 -6.733 17.063 269 1HD LYS 39 2HD LYS 39 7.618 -7.546 18.630 270 2HD LYS 39 1HD LYS 39 6.704 -6.914 19.997 271 1HE LYS 39 2HE LYS 39 5.263 -8.652 20.021 272 2HE LYS 39 1HE LYS 39 5.128 -8.700 18.273 273 1HZ LYS 39 3HZ LYS 39 7.310 -9.829 18.203 274 2HZ LYS 39 2HZ LYS 39 7.338 -9.853 19.911 275 3HZ LYS 39 1HZ LYS 39 6.152 -10.705 19.064 276 H ALA 40 H ALA 40 9.563 -3.671 15.826 277 HA ALA 40 HA ALA 40 10.448 -1.674 15.566 278 1HB ALA 40 1HB ALA 40 7.777 -1.314 14.180 279 2HB ALA 40 3HB ALA 40 9.184 -0.271 13.954 280 3HB ALA 40 2HB ALA 40 9.280 -1.968 13.513 281 H LEU 41 H LEU 41 7.615 0.365 15.709 282 HA LEU 41 HA LEU 41 8.665 2.252 17.355 283 1HB LEU 41 2HB LEU 41 5.822 1.408 16.896 284 2HB LEU 41 1HB LEU 41 6.193 2.799 17.909 285 HG LEU 41 HG LEU 41 7.384 2.521 15.148 286 1HD1 LEU 41 3HD1 LEU 41 4.699 3.724 15.851 287 2HD1 LEU 41 2HD1 LEU 41 5.570 4.066 14.358 288 3HD1 LEU 41 1HD1 LEU 41 5.027 2.428 14.699 289 1HD2 LEU 41 1HD2 LEU 41 6.944 4.762 17.124 290 2HD2 LEU 41 3HD2 LEU 41 8.462 4.179 16.444 291 3HD2 LEU 41 2HD2 LEU 41 7.334 5.074 15.431 292 HA PRO 42 HA PRO 42 8.876 -0.008 21.247 293 1HB PRO 42 2HB PRO 42 10.919 1.414 22.336 294 2HB PRO 42 1HB PRO 42 11.108 0.061 21.205 295 1HG PRO 42 2HG PRO 42 11.512 2.943 20.729 296 2HG PRO 42 1HG PRO 42 12.167 1.549 19.852 297 1HD PRO 42 2HD PRO 42 9.963 3.162 19.040 298 2HD PRO 42 1HD PRO 42 10.543 1.677 18.269 299 H THR 43 H THR 43 9.104 0.892 23.691 300 HA THR 43 HA THR 43 6.921 2.685 24.209 301 HB THR 43 HB THR 43 7.537 2.221 26.594 302 HG1 THR 43 HG1 THR 43 9.578 1.646 26.670 303 1HG2 THR 43 1HG2 THR 43 5.879 0.880 25.252 304 2HG2 THR 43 3HG2 THR 43 7.169 -0.285 24.950 305 3HG2 THR 43 2HG2 THR 43 6.617 0.014 26.596 306 H THR 44 H THR 44 6.937 4.596 25.310 307 HA THR 44 HA THR 44 8.877 6.493 24.710 308 HB THR 44 HB THR 44 6.560 6.986 25.162 309 HG1 THR 44 HG1 THR 44 8.620 8.471 26.241 310 1HG2 THR 44 3HG2 THR 44 7.200 6.620 28.095 311 2HG2 THR 44 2HG2 THR 44 5.722 7.322 27.458 312 3HG2 THR 44 1HG2 THR 44 6.092 5.635 27.140 313 H ALA 45 H ALA 45 8.705 4.627 27.700 314 HA ALA 45 HA ALA 45 10.605 6.109 29.218 315 1HB ALA 45 2HB ALA 45 9.235 3.579 29.507 316 2HB ALA 45 1HB ALA 45 10.943 3.310 29.825 317 3HB ALA 45 3HB ALA 45 10.058 4.520 30.748 318 H GLN 46 H GLN 46 11.213 3.033 27.462 319 HA GLN 46 HA GLN 46 14.001 3.206 27.460 320 1HB GLN 46 2HB GLN 46 12.062 1.713 25.712 321 2HB GLN 46 1HB GLN 46 13.737 1.829 25.171 322 1HG GLN 46 2HG GLN 46 14.566 0.860 27.222 323 2HG GLN 46 1HG GLN 46 12.972 0.922 27.956 324 1HE2 GLN 46 2HE2 GLN 46 13.800 -2.110 25.326 325 2HE2 GLN 46 1HE2 GLN 46 14.837 -0.775 25.354 326 H TYR 47 H TYR 47 11.695 4.626 25.198 327 HA TYR 47 HA TYR 47 13.389 5.594 23.203 328 1HB TYR 47 2HB TYR 47 10.719 6.239 24.172 329 2HB TYR 47 1HB TYR 47 11.558 7.680 23.641 330 HD1 TYR 47 HD1 TYR 47 13.032 7.112 21.314 331 HD2 TYR 47 HD2 TYR 47 9.382 5.287 22.637 332 HE1 TYR 47 HE1 TYR 47 12.496 6.478 18.971 333 HE2 TYR 47 HE2 TYR 47 8.834 4.648 20.303 334 HH TYR 47 HH TYR 47 9.574 5.680 17.893 335 H LYS 48 H LYS 48 12.449 7.292 26.243 336 HA LYS 48 HA LYS 48 14.126 9.499 25.742 337 1HB LYS 48 2HB LYS 48 14.209 9.730 28.400 338 2HB LYS 48 1HB LYS 48 12.852 10.266 27.446 339 1HG LYS 48 2HG LYS 48 11.749 8.028 27.997 340 2HG LYS 48 1HG LYS 48 13.098 7.754 29.115 341 1HD LYS 48 2HD LYS 48 12.530 10.135 29.972 342 2HD LYS 48 1HD LYS 48 10.969 9.847 29.207 343 1HE LYS 48 2HE LYS 48 11.674 7.505 30.714 344 2HE LYS 48 1HE LYS 48 11.877 8.904 31.757 345 1HZ LYS 48 3HZ LYS 48 9.408 8.550 30.152 346 2HZ LYS 48 2HZ LYS 48 9.608 7.768 31.640 347 3HZ LYS 48 1HZ LYS 48 9.641 9.463 31.560 348 H LEU 49 H LEU 49 14.885 6.558 27.626 349 HA LEU 49 HA LEU 49 17.517 7.289 28.326 350 1HB LEU 49 2HB LEU 49 16.162 4.665 27.739 351 2HB LEU 49 1HB LEU 49 17.826 4.754 28.297 352 HG LEU 49 HG LEU 49 16.581 4.360 30.071 353 1HD1 LEU 49 3HD1 LEU 49 18.151 6.343 30.444 354 2HD1 LEU 49 2HD1 LEU 49 16.674 7.299 30.588 355 3HD1 LEU 49 1HD1 LEU 49 16.977 5.979 31.709 356 1HD2 LEU 49 2HD2 LEU 49 14.342 4.830 29.331 357 2HD2 LEU 49 1HD2 LEU 49 14.610 5.398 30.971 358 3HD2 LEU 49 3HD2 LEU 49 14.587 6.555 29.636 359 H MET 50 H MET 50 16.241 5.871 25.319 360 HA MET 50 HA MET 50 18.628 5.221 23.928 361 1HB MET 50 2HB MET 50 15.795 5.406 23.314 362 2HB MET 50 1HB MET 50 16.733 6.067 22.004 363 1HG MET 50 2HG MET 50 17.084 3.988 21.275 364 2HG MET 50 1HG MET 50 17.982 3.609 22.742 365 1HE MET 50 2HE MET 50 17.242 2.865 24.724 366 2HE MET 50 1HE MET 50 15.772 1.981 25.095 367 3HE MET 50 3HE MET 50 17.008 1.256 24.048 368 H CYS 51 H CYS 51 16.606 8.185 23.799 369 HA CYS 51 HA CYS 51 18.044 9.608 21.869 370 1HB CYS 51 2HB CYS 51 16.108 10.360 23.996 371 2HB CYS 51 1HB CYS 51 17.096 11.655 23.343 372 H ALA 52 H ALA 52 18.953 9.123 25.223 373 HA ALA 52 HA ALA 52 20.807 11.312 25.417 374 1HB ALA 52 1HB ALA 52 19.793 10.309 27.425 375 2HB ALA 52 3HB ALA 52 20.651 8.803 27.094 376 3HB ALA 52 2HB ALA 52 21.556 10.262 27.490 377 H SER 53 H SER 53 21.212 7.934 24.442 378 HA SER 53 HA SER 53 24.104 8.055 24.469 379 1HB SER 53 2HB SER 53 22.582 5.974 24.793 380 2HB SER 53 1HB SER 53 22.571 5.908 23.041 381 HG SER 53 HG SER 53 24.517 5.211 24.800 382 H THR 54 H THR 54 25.395 8.812 22.998 383 HA THR 54 HA THR 54 24.619 10.011 20.576 384 HB THR 54 HB THR 54 26.584 10.582 21.969 385 HG1 THR 54 HG1 THR 54 27.168 10.156 19.229 386 1HG2 THR 54 3HG2 THR 54 27.895 8.173 20.680 387 2HG2 THR 54 2HG2 THR 54 28.734 9.435 21.576 388 3HG2 THR 54 1HG2 THR 54 27.562 8.413 22.395 389 H ALA 55 H ALA 55 25.478 6.659 21.117 390 HA ALA 55 HA ALA 55 26.235 5.907 18.473 391 1HB ALA 55 2HB ALA 55 26.384 4.388 20.543 392 2HB ALA 55 1HB ALA 55 24.660 4.118 20.330 393 3HB ALA 55 3HB ALA 55 25.775 3.644 19.058 394 H CYS 56 H CYS 56 23.099 6.070 20.066 395 HA CYS 56 HA CYS 56 21.650 4.991 17.905 396 1HB CYS 56 2HB CYS 56 20.819 6.347 20.452 397 2HB CYS 56 1HB CYS 56 19.609 6.179 19.178 398 H ASN 57 H ASN 57 22.370 8.299 18.871 399 HA ASN 57 HA ASN 57 20.808 9.750 16.946 400 1HB ASN 57 2HB ASN 57 23.548 10.460 18.070 401 2HB ASN 57 1HB ASN 57 22.489 11.580 17.239 402 1HD2 ASN 57 2HD2 ASN 57 20.322 11.877 20.175 403 2HD2 ASN 57 1HD2 ASN 57 20.214 11.922 18.481 404 H THR 58 H THR 58 24.135 8.515 16.749 405 HA THR 58 HA THR 58 24.648 9.303 14.097 406 HB THR 58 HB THR 58 25.648 6.867 15.603 407 HG1 THR 58 HG1 THR 58 27.001 9.322 15.106 408 1HG2 THR 58 1HG2 THR 58 26.390 7.917 12.899 409 2HG2 THR 58 3HG2 THR 58 27.646 7.223 13.922 410 3HG2 THR 58 2HG2 THR 58 26.254 6.250 13.461 411 H MET 59 H MET 59 23.023 6.382 15.265 412 HA MET 59 HA MET 59 22.645 5.119 12.740 413 1HB MET 59 2HB MET 59 20.475 4.942 14.781 414 2HB MET 59 1HB MET 59 20.933 3.764 13.584 415 1HG MET 59 2HG MET 59 22.970 3.260 14.923 416 2HG MET 59 1HG MET 59 22.481 4.487 16.088 417 1HE MET 59 3HE MET 59 19.734 4.433 16.799 418 2HE MET 59 2HE MET 59 18.989 3.463 15.542 419 3HE MET 59 1HE MET 59 18.935 2.899 17.204 420 H ILE 60 H ILE 60 20.197 7.011 14.478 421 HA ILE 60 HA ILE 60 18.384 7.083 12.271 422 HB ILE 60 HB ILE 60 18.434 8.834 14.715 423 1HG1 ILE 60 2HG1 ILE 60 18.170 6.403 15.167 424 2HG1 ILE 60 1HG1 ILE 60 16.762 7.289 15.642 425 1HG2 ILE 60 2HG2 ILE 60 16.778 9.059 12.377 426 2HG2 ILE 60 1HG2 ILE 60 15.775 8.511 13.704 427 3HG2 ILE 60 3HG2 ILE 60 16.706 9.993 13.873 428 1HD1 ILE 60 2HD1 ILE 60 16.908 6.012 12.915 429 2HD1 ILE 60 1HD1 ILE 60 16.473 5.071 14.341 430 3HD1 ILE 60 3HD1 ILE 60 15.479 6.440 13.847 431 H LYS 61 H LYS 61 20.608 9.575 13.399 432 HA LYS 61 HA LYS 61 19.980 11.612 11.538 433 1HB LYS 61 2HB LYS 61 21.443 12.081 13.413 434 2HB LYS 61 1HB LYS 61 22.573 10.846 12.915 435 1HG LYS 61 2HG LYS 61 22.120 13.012 10.942 436 2HG LYS 61 1HG LYS 61 22.863 13.511 12.454 437 1HD LYS 61 2HD LYS 61 23.876 11.306 10.636 438 2HD LYS 61 1HD LYS 61 24.546 12.923 10.760 439 1HE LYS 61 2HE LYS 61 24.494 11.992 13.409 440 2HE LYS 61 1HE LYS 61 24.994 10.601 12.460 441 1HZ LYS 61 2HZ LYS 61 26.260 13.272 12.144 442 2HZ LYS 61 1HZ LYS 61 26.797 12.147 13.286 443 3HZ LYS 61 3HZ LYS 61 26.853 11.756 11.646 444 H LYS 62 H LYS 62 22.053 8.792 11.205 445 HA LYS 62 HA LYS 62 23.091 9.400 8.593 446 1HB LYS 62 2HB LYS 62 23.062 6.972 10.334 447 2HB LYS 62 1HB LYS 62 23.234 6.687 8.613 448 1HG LYS 62 2HG LYS 62 25.109 8.495 8.720 449 2HG LYS 62 1HG LYS 62 25.080 8.191 10.460 450 1HD LYS 62 2HD LYS 62 25.675 5.929 10.215 451 2HD LYS 62 1HD LYS 62 25.237 5.896 8.518 452 1HE LYS 62 2HE LYS 62 27.189 7.167 7.912 453 2HE LYS 62 1HE LYS 62 27.563 7.514 9.597 454 1HZ LYS 62 3HZ LYS 62 27.453 4.736 8.540 455 2HZ LYS 62 2HZ LYS 62 28.862 5.670 8.475 456 3HZ LYS 62 1HZ LYS 62 28.178 5.274 9.973 457 H ILE 63 H ILE 63 20.395 7.398 9.683 458 HA ILE 63 HA ILE 63 19.428 6.521 7.147 459 HB ILE 63 HB ILE 63 17.927 7.028 9.726 460 1HG1 ILE 63 2HG1 ILE 63 19.817 5.330 9.829 461 2HG1 ILE 63 1HG1 ILE 63 18.246 4.783 10.351 462 1HG2 ILE 63 3HG2 ILE 63 16.411 6.875 7.771 463 2HG2 ILE 63 2HG2 ILE 63 16.975 5.222 7.521 464 3HG2 ILE 63 1HG2 ILE 63 16.147 5.656 9.012 465 1HD1 ILE 63 1HD1 ILE 63 18.470 4.117 7.593 466 2HD1 ILE 63 3HD1 ILE 63 20.007 3.705 8.354 467 3HD1 ILE 63 2HD1 ILE 63 18.508 3.029 8.978 468 H VAL 64 H VAL 64 18.719 9.452 9.054 469 HA VAL 64 HA VAL 64 16.704 10.538 7.356 470 HB VAL 64 HB VAL 64 18.471 11.931 9.381 471 1HG1 VAL 64 2HG1 VAL 64 17.224 13.447 7.801 472 2HG1 VAL 64 1HG1 VAL 64 15.718 12.753 8.393 473 3HG1 VAL 64 3HG1 VAL 64 16.767 13.645 9.488 474 1HG2 VAL 64 2HG2 VAL 64 16.823 9.922 10.102 475 2HG2 VAL 64 1HG2 VAL 64 17.017 11.358 11.090 476 3HG2 VAL 64 3HG2 VAL 64 15.637 11.215 10.017 477 H THR 65 H THR 65 20.068 11.614 7.800 478 HA THR 65 HA THR 65 20.308 13.473 5.786 479 HB THR 65 HB THR 65 22.675 12.813 5.640 480 HG1 THR 65 HG1 THR 65 21.885 10.597 7.131 481 1HG2 THR 65 2HG2 THR 65 21.553 13.293 8.391 482 2HG2 THR 65 1HG2 THR 65 23.283 13.181 8.082 483 3HG2 THR 65 3HG2 THR 65 22.333 14.419 7.283 484 H LEU 66 H LEU 66 20.621 9.973 5.499 485 HA LEU 66 HA LEU 66 21.372 9.609 2.827 486 1HB LEU 66 2HB LEU 66 20.040 8.025 4.895 487 2HB LEU 66 1HB LEU 66 19.439 7.639 3.307 488 HG LEU 66 HG LEU 66 21.231 6.205 4.162 489 1HD1 LEU 66 1HD1 LEU 66 21.811 7.687 1.605 490 2HD1 LEU 66 3HD1 LEU 66 22.696 6.244 2.110 491 3HD1 LEU 66 2HD1 LEU 66 20.960 6.154 1.820 492 1HD2 LEU 66 3HD2 LEU 66 22.528 8.525 4.930 493 2HD2 LEU 66 2HD2 LEU 66 23.233 6.915 4.891 494 3HD2 LEU 66 1HD2 LEU 66 23.459 8.000 3.525 495 H ASN 67 H ASN 67 18.180 10.211 4.195 496 HA ASN 67 HA ASN 67 16.197 10.946 3.429 497 1HB ASN 67 2HB ASN 67 17.860 12.571 2.317 498 2HB ASN 67 1HB ASN 67 17.518 11.696 0.830 499 1HD2 ASN 67 2HD2 ASN 67 14.219 13.073 0.527 500 2HD2 ASN 67 1HD2 ASN 67 15.203 11.788 0.020 501 HA PRO 68 HA PRO 68 15.476 6.990 1.148 502 1HB PRO 68 2HB PRO 68 13.738 5.955 2.968 503 2HB PRO 68 1HB PRO 68 15.502 5.770 3.063 504 1HG PRO 68 2HG PRO 68 13.717 7.575 4.640 505 2HG PRO 68 1HG PRO 68 15.223 6.757 5.125 506 1HD PRO 68 2HD PRO 68 15.052 9.431 4.427 507 2HD PRO 68 1HD PRO 68 16.539 8.457 4.388 508 HA PRO 69 HA PRO 69 11.585 8.486 -0.545 509 1HB PRO 69 2HB PRO 69 10.885 6.356 -2.108 510 2HB PRO 69 1HB PRO 69 12.187 7.483 -2.522 511 1HG PRO 69 2HG PRO 69 12.391 4.695 -1.570 512 2HG PRO 69 1HG PRO 69 13.557 5.672 -2.481 513 1HD PRO 69 2HD PRO 69 13.628 5.102 0.306 514 2HD PRO 69 1HD PRO 69 14.695 6.198 -0.597 515 H ASN 70 H ASN 70 9.445 8.480 0.018 516 HA ASN 70 HA ASN 70 8.533 6.970 2.213 517 1HB ASN 70 2HB ASN 70 6.366 8.098 1.934 518 2HB ASN 70 1HB ASN 70 7.708 9.212 1.903 519 1HD2 ASN 70 2HD2 ASN 70 5.131 9.534 -1.033 520 2HD2 ASN 70 1HD2 ASN 70 4.784 9.000 0.534 521 H CYS 71 H CYS 71 7.943 5.024 2.329 522 HA CYS 71 HA CYS 71 5.808 3.768 1.049 523 1HB CYS 71 2HB CYS 71 6.869 2.064 -0.340 524 2HB CYS 71 1HB CYS 71 7.166 3.658 -1.003 525 H ASP 72 H ASP 72 5.318 1.708 1.949 526 HA ASP 72 HA ASP 72 6.379 1.280 4.520 527 1HB ASP 72 2HB ASP 72 4.446 -0.351 2.927 528 2HB ASP 72 1HB ASP 72 4.958 -0.798 4.544 529 H LEU 73 H LEU 73 7.309 -0.519 5.552 530 HA LEU 73 HA LEU 73 8.770 -2.501 3.959 531 1HB LEU 73 2HB LEU 73 10.087 -0.224 4.583 532 2HB LEU 73 1HB LEU 73 10.356 -1.100 6.069 533 HG LEU 73 HG LEU 73 12.199 -1.370 4.525 534 1HD1 LEU 73 3HD1 LEU 73 11.644 -3.244 6.036 535 2HD1 LEU 73 2HD1 LEU 73 10.739 -4.000 4.727 536 3HD1 LEU 73 1HD1 LEU 73 12.478 -3.745 4.567 537 1HD2 LEU 73 2HD2 LEU 73 10.508 -1.297 2.454 538 2HD2 LEU 73 1HD2 LEU 73 12.085 -2.081 2.348 539 3HD2 LEU 73 3HD2 LEU 73 10.636 -3.050 2.613 540 H THR 74 H THR 74 7.569 -4.118 4.802 541 HA THR 74 HA THR 74 6.980 -4.471 7.633 542 HB THR 74 HB THR 74 6.751 -6.716 5.693 543 HG1 THR 74 HG1 THR 74 5.689 -5.360 4.447 544 1HG2 THR 74 2HG2 THR 74 5.288 -5.842 8.154 545 2HG2 THR 74 1HG2 THR 74 4.489 -6.889 6.989 546 3HG2 THR 74 3HG2 THR 74 5.985 -7.407 7.758 547 H VAL 75 H VAL 75 7.775 -6.011 9.013 548 HA VAL 75 HA VAL 75 10.404 -7.201 8.386 549 HB VAL 75 HB VAL 75 9.097 -6.832 11.122 550 1HG1 VAL 75 3HG1 VAL 75 11.970 -7.446 10.321 551 2HG1 VAL 75 2HG1 VAL 75 11.408 -7.193 11.971 552 3HG1 VAL 75 1HG1 VAL 75 10.857 -8.599 11.061 553 1HG2 VAL 75 3HG2 VAL 75 9.658 -4.656 9.959 554 2HG2 VAL 75 2HG2 VAL 75 10.579 -4.928 11.446 555 3HG2 VAL 75 1HG2 VAL 75 11.332 -5.208 9.875 556 HA PRO 76 HA PRO 76 8.152 -11.096 8.095 557 1HB PRO 76 2HB PRO 76 10.294 -12.738 7.803 558 2HB PRO 76 1HB PRO 76 9.639 -11.734 6.495 559 1HG PRO 76 2HG PRO 76 12.062 -11.265 8.181 560 2HG PRO 76 1HG PRO 76 11.799 -10.898 6.462 561 1HD PRO 76 2HD PRO 76 11.658 -8.975 8.413 562 2HD PRO 76 1HD PRO 76 10.758 -8.898 6.883 563 H THR 77 H THR 77 10.927 -10.873 10.352 564 HA THR 77 HA THR 77 10.160 -13.160 11.903 565 HB THR 77 HB THR 77 11.940 -11.094 13.132 566 HG1 THR 77 HG1 THR 77 13.221 -11.121 11.477 567 1HG2 THR 77 2HG2 THR 77 11.858 -14.091 12.959 568 2HG2 THR 77 1HG2 THR 77 13.180 -13.187 13.712 569 3HG2 THR 77 3HG2 THR 77 11.542 -13.072 14.367 570 H SER 78 H SER 78 9.903 -9.665 12.643 571 HA SER 78 HA SER 78 8.418 -10.204 15.078 572 1HB SER 78 2HB SER 78 8.230 -7.786 15.381 573 2HB SER 78 1HB SER 78 9.870 -8.218 14.997 574 HG SER 78 HG SER 78 9.361 -6.487 13.724 575 H GLY 79 H GLY 79 7.487 -9.178 11.844 576 1HA GLY 79 2HA GLY 79 5.364 -9.743 10.864 577 2HA GLY 79 1HA GLY 79 4.665 -9.818 12.474 578 H LEU 80 H LEU 80 6.155 -7.113 13.038 579 HA LEU 80 HA LEU 80 3.922 -5.442 12.304 580 1HB LEU 80 2HB LEU 80 5.636 -5.446 14.386 581 2HB LEU 80 1HB LEU 80 6.386 -4.206 13.389 582 HG LEU 80 HG LEU 80 3.497 -3.813 13.528 583 1HD1 LEU 80 1HD1 LEU 80 4.991 -3.885 16.157 584 2HD1 LEU 80 3HD1 LEU 80 3.458 -3.055 15.913 585 3HD1 LEU 80 2HD1 LEU 80 3.538 -4.800 15.732 586 1HD2 LEU 80 2HD2 LEU 80 5.375 -2.170 12.925 587 2HD2 LEU 80 1HD2 LEU 80 4.114 -1.567 13.999 588 3HD2 LEU 80 3HD2 LEU 80 5.673 -2.052 14.658 589 H VAL 81 H VAL 81 4.122 -3.436 11.237 590 HA VAL 81 HA VAL 81 5.932 -3.478 8.879 591 HB VAL 81 HB VAL 81 3.244 -2.129 9.294 592 1HG1 VAL 81 2HG1 VAL 81 5.006 -2.239 6.837 593 2HG1 VAL 81 1HG1 VAL 81 3.294 -1.821 6.811 594 3HG1 VAL 81 3HG1 VAL 81 4.431 -0.800 7.686 595 1HG2 VAL 81 2HG2 VAL 81 3.288 -4.682 9.036 596 2HG2 VAL 81 1HG2 VAL 81 2.292 -3.782 7.896 597 3HG2 VAL 81 3HG2 VAL 81 3.865 -4.389 7.394 598 H LEU 82 H LEU 82 7.089 -1.664 8.334 599 HA LEU 82 HA LEU 82 6.951 0.815 9.897 600 1HB LEU 82 2HB LEU 82 8.534 -0.735 11.097 601 2HB LEU 82 1HB LEU 82 9.509 -0.814 9.641 602 HG LEU 82 HG LEU 82 9.832 1.680 9.814 603 1HD1 LEU 82 3HD1 LEU 82 8.410 1.247 12.463 604 2HD1 LEU 82 2HD1 LEU 82 9.386 2.668 12.089 605 3HD1 LEU 82 1HD1 LEU 82 7.929 2.340 11.160 606 1HD2 LEU 82 2HD2 LEU 82 11.490 0.042 10.751 607 2HD2 LEU 82 1HD2 LEU 82 11.468 1.585 11.602 608 3HD2 LEU 82 3HD2 LEU 82 10.676 0.180 12.309 609 H ASN 83 H ASN 83 6.737 2.353 8.235 610 HA ASN 83 HA ASN 83 7.699 1.763 5.603 611 1HB ASN 83 2HB ASN 83 6.490 3.535 4.872 612 2HB ASN 83 1HB ASN 83 5.575 3.089 6.274 613 1HD2 ASN 83 2HD2 ASN 83 6.251 6.849 6.081 614 2HD2 ASN 83 1HD2 ASN 83 5.715 5.762 4.899 615 H VAL 84 H VAL 84 9.442 2.984 8.134 616 HA VAL 84 HA VAL 84 11.475 3.742 8.340 617 HB VAL 84 HB VAL 84 11.685 3.001 5.428 618 1HG1 VAL 84 1HG1 VAL 84 13.964 3.688 7.317 619 2HG1 VAL 84 3HG1 VAL 84 14.137 3.020 5.693 620 3HG1 VAL 84 2HG1 VAL 84 13.486 4.644 5.912 621 1HG2 VAL 84 2HG2 VAL 84 11.259 1.195 7.083 622 2HG2 VAL 84 1HG2 VAL 84 12.824 1.035 6.300 623 3HG2 VAL 84 3HG2 VAL 84 12.730 1.671 7.940 624 H TYR 85 H TYR 85 9.864 5.330 5.627 625 HA TYR 85 HA TYR 85 11.323 7.742 5.540 626 1HB TYR 85 2HB TYR 85 9.617 6.926 3.892 627 2HB TYR 85 1HB TYR 85 8.336 7.381 4.965 628 HD1 TYR 85 HD1 TYR 85 7.938 9.842 5.503 629 HD2 TYR 85 HD2 TYR 85 10.946 8.554 2.730 630 HE1 TYR 85 HE1 TYR 85 8.134 12.153 4.639 631 HE2 TYR 85 HE2 TYR 85 11.146 10.860 1.860 632 HH TYR 85 HH TYR 85 10.628 13.283 2.946 633 H SER 86 H SER 86 8.179 7.165 7.135 634 HA SER 86 HA SER 86 8.181 9.576 8.658 635 1HB SER 86 2HB SER 86 6.670 6.998 9.269 636 2HB SER 86 1HB SER 86 6.394 8.536 10.054 637 HG SER 86 HG SER 86 5.095 8.903 8.410 638 H TYR 87 H TYR 87 9.643 6.517 9.340 639 HA TYR 87 HA TYR 87 10.215 6.652 12.101 640 1HB TYR 87 2HB TYR 87 10.566 4.737 10.508 641 2HB TYR 87 1HB TYR 87 11.912 5.607 9.845 642 HD1 TYR 87 HD2 TYR 87 10.711 4.822 13.304 643 HD2 TYR 87 HD1 TYR 87 13.927 4.879 10.470 644 HE1 TYR 87 HE2 TYR 87 12.252 3.901 15.042 645 HE2 TYR 87 HE1 TYR 87 15.480 3.960 12.195 646 HH TYR 87 HH TYR 87 14.817 2.408 14.597 647 H ALA 88 H ALA 88 12.289 7.518 9.358 648 HA ALA 88 HA ALA 88 14.483 8.616 10.680 649 1HB ALA 88 1HB ALA 88 13.949 8.008 8.169 650 2HB ALA 88 3HB ALA 88 13.643 9.745 8.046 651 3HB ALA 88 2HB ALA 88 15.231 9.158 8.577 652 H ASN 89 H ASN 89 11.854 10.481 9.233 653 HA ASN 89 HA ASN 89 12.691 12.929 10.521 654 1HB ASN 89 2HB ASN 89 9.952 13.034 9.435 655 2HB ASN 89 1HB ASN 89 11.314 14.085 9.184 656 1HD2 ASN 89 2HD2 ASN 89 12.490 11.938 6.379 657 2HD2 ASN 89 1HD2 ASN 89 13.192 12.576 7.784 658 H GLY 90 H GLY 90 10.586 10.397 11.568 659 1HA GLY 90 2HA GLY 90 9.053 11.992 13.433 660 2HA GLY 90 1HA GLY 90 9.093 10.235 13.329 661 H PHE 91 H PHE 91 11.772 9.665 13.754 662 HA PHE 91 HA PHE 91 12.136 9.556 16.495 663 1HB PHE 91 2HB PHE 91 13.604 8.494 14.488 664 2HB PHE 91 1HB PHE 91 14.649 9.816 14.886 665 HD1 PHE 91 HD1 PHE 91 15.380 10.081 17.357 666 HD2 PHE 91 HD2 PHE 91 13.604 6.496 15.783 667 HE1 PHE 91 HE1 PHE 91 16.300 8.787 19.256 668 HE2 PHE 91 HE2 PHE 91 14.527 5.211 17.681 669 HZ PHE 91 HZ PHE 91 15.877 6.354 19.423 670 H SER 92 H SER 92 13.683 11.974 14.358 671 HA SER 92 HA SER 92 15.013 13.484 16.365 672 1HB SER 92 2HB SER 92 13.969 14.517 13.688 673 2HB SER 92 1HB SER 92 15.108 15.325 14.741 674 HG SER 92 HG SER 92 16.038 14.181 12.977 675 H ASN 93 H ASN 93 11.885 14.291 14.891 676 HA ASN 93 HA ASN 93 11.288 16.560 16.426 677 1HB ASN 93 2HB ASN 93 10.019 15.811 14.396 678 2HB ASN 93 1HB ASN 93 9.175 14.631 15.374 679 1HD2 ASN 93 2HD2 ASN 93 6.807 17.153 16.309 680 2HD2 ASN 93 1HD2 ASN 93 7.047 15.528 15.986 681 H LYS 94 H LYS 94 10.261 13.190 17.056 682 HA LYS 94 HA LYS 94 9.105 13.960 19.561 683 1HB LYS 94 2HB LYS 94 8.643 11.620 19.997 684 2HB LYS 94 1HB LYS 94 8.272 11.961 18.318 685 1HG LYS 94 2HG LYS 94 9.494 10.108 17.899 686 2HG LYS 94 1HG LYS 94 10.868 11.186 18.113 687 1HD LYS 94 2HD LYS 94 11.516 9.664 19.685 688 2HD LYS 94 1HD LYS 94 10.420 10.569 20.712 689 1HE LYS 94 2HE LYS 94 9.475 8.186 19.089 690 2HE LYS 94 1HE LYS 94 10.158 8.029 20.695 691 1HZ LYS 94 2HZ LYS 94 8.388 9.462 21.546 692 2HZ LYS 94 1HZ LYS 94 7.719 9.586 19.987 693 3HZ LYS 94 3HZ LYS 94 7.773 8.093 20.770 694 H CYS 95 H CYS 95 12.359 13.119 18.677 695 HA CYS 95 HA CYS 95 13.302 12.417 21.296 696 1HB CYS 95 2HB CYS 95 14.542 11.965 19.101 697 2HB CYS 95 1HB CYS 95 14.956 13.675 19.067 698 H SER 96 H SER 96 13.163 15.476 19.424 699 HA SER 96 HA SER 96 14.397 17.160 21.341 700 1HB SER 96 2HB SER 96 13.816 17.796 18.921 701 2HB SER 96 1HB SER 96 12.151 17.953 19.437 702 HG SER 96 HG SER 96 12.822 19.931 19.825 703 H SER 97 H SER 97 11.055 16.201 20.798 704 HA SER 97 HA SER 97 9.772 17.641 22.922 705 1HB SER 97 2HB SER 97 8.695 16.552 20.869 706 2HB SER 97 1HB SER 97 8.886 15.015 21.695 707 HG SER 97 HG SER 97 7.289 15.585 23.025 708 H LEU 98 HN LEU 98 11.332 14.435 22.795 709 HA LEU 98 HA LEU 98 10.428 13.538 25.353 710 1HB LEU 98 2HB LEU 98 12.345 12.571 23.284 711 2HB LEU 98 1HB LEU 98 12.590 11.965 24.910 712 HG LEU 98 HG LEU 98 9.907 11.855 23.519 713 1HD1 LEU 98 2HD1 LEU 98 11.840 10.637 22.306 714 2HD1 LEU 98 1HD1 LEU 98 11.882 9.577 23.711 715 3HD1 LEU 98 3HD1 LEU 98 10.424 9.679 22.729 716 1HD2 LEU 98 3HD2 LEU 98 11.161 10.401 25.870 717 2HD2 LEU 98 2HD2 LEU 98 9.869 11.593 25.953 718 3HD2 LEU 98 1HD2 LEU 98 9.570 10.029 25.209 No H/Q in entry = 718 Start of MODEL 11 1 1H THR 1 1H THR 1 2.867 -4.021 -1.116 2 2H THR 1 3H THR 1 3.867 -4.817 -0.004 3 3H THR 1 2H THR 1 2.196 -5.104 -0.007 4 HA THR 1 HA THR 1 1.687 -2.949 0.680 5 HB THR 1 HB THR 1 3.882 -3.936 2.537 6 HG1 THR 1 HG1 THR 1 2.690 -5.624 2.951 7 1HG2 THR 1 2HG2 THR 1 2.284 -1.768 2.857 8 2HG2 THR 1 1HG2 THR 1 1.261 -3.014 3.569 9 3HG2 THR 1 3HG2 THR 1 2.890 -2.747 4.184 10 H ALA 2 H ALA 2 2.069 -1.077 -0.138 11 HA ALA 2 HA ALA 2 2.960 0.773 -0.982 12 1HB ALA 2 2HB ALA 2 2.838 1.193 1.404 13 2HB ALA 2 1HB ALA 2 4.521 0.684 1.573 14 3HB ALA 2 3HB ALA 2 4.122 2.124 0.634 15 H CYS 3 H CYS 3 6.242 0.378 0.360 16 HA CYS 3 HA CYS 3 7.416 1.112 -2.042 17 1HB CYS 3 2HB CYS 3 9.016 -0.736 -0.331 18 2HB CYS 3 1HB CYS 3 9.533 0.607 -1.288 19 H THR 4 H THR 4 8.506 0.156 -3.722 20 HA THR 4 HA THR 4 8.250 -2.744 -4.196 21 HB THR 4 HB THR 4 7.337 -0.527 -6.053 22 HG1 THR 4 HG1 THR 4 5.379 -1.011 -5.433 23 1HG2 THR 4 3HG2 THR 4 8.356 -2.347 -7.305 24 2HG2 THR 4 2HG2 THR 4 7.309 -3.507 -6.477 25 3HG2 THR 4 1HG2 THR 4 6.608 -2.294 -7.561 26 H ALA 5 H ALA 5 9.927 -3.588 -5.319 27 HA ALA 5 HA ALA 5 12.082 -3.920 -5.876 28 1HB ALA 5 2HB ALA 5 11.092 -1.972 -7.929 29 2HB ALA 5 1HB ALA 5 12.571 -2.913 -8.115 30 3HB ALA 5 3HB ALA 5 11.012 -3.730 -7.973 31 H THR 6 H THR 6 12.721 -0.722 -7.151 32 HA THR 6 HA THR 6 15.168 -0.467 -5.816 33 HB THR 6 HB THR 6 15.113 1.935 -6.652 34 HG1 THR 6 HG1 THR 6 12.997 2.439 -6.880 35 1HG2 THR 6 2HG2 THR 6 14.676 -0.399 -8.506 36 2HG2 THR 6 1HG2 THR 6 15.205 1.187 -9.049 37 3HG2 THR 6 3HG2 THR 6 16.205 0.262 -7.932 38 H GLN 7 H GLN 7 12.035 0.712 -4.834 39 HA GLN 7 HA GLN 7 12.841 2.564 -2.819 40 1HB GLN 7 2HB GLN 7 10.332 1.022 -3.399 41 2HB GLN 7 1HB GLN 7 10.452 2.028 -1.954 42 1HG GLN 7 2HG GLN 7 10.389 3.994 -3.151 43 2HG GLN 7 1HG GLN 7 11.312 3.326 -4.485 44 1HE2 GLN 7 2HE2 GLN 7 7.231 2.864 -4.575 45 2HE2 GLN 7 1HE2 GLN 7 7.964 3.160 -3.067 46 H GLN 8 H GLN 8 11.525 -0.703 -2.377 47 HA GLN 8 HA GLN 8 12.157 -1.002 0.311 48 1HB GLN 8 2HB GLN 8 10.499 -2.350 -0.759 49 2HB GLN 8 1HB GLN 8 11.674 -3.014 -1.897 50 1HG GLN 8 2HG GLN 8 12.460 -4.525 -0.351 51 2HG GLN 8 1HG GLN 8 12.075 -3.530 1.061 52 1HE2 GLN 8 2HE2 GLN 8 9.033 -5.689 -0.692 53 2HE2 GLN 8 1HE2 GLN 8 10.345 -5.223 -1.666 54 H THR 9 H THR 9 14.165 -1.842 -2.492 55 HA THR 9 HA THR 9 16.237 -3.145 -1.031 56 HB THR 9 HB THR 9 17.676 -2.394 -2.970 57 HG1 THR 9 HG1 THR 9 16.739 -0.880 -4.101 58 1HG2 THR 9 1HG2 THR 9 15.808 -4.471 -2.722 59 2HG2 THR 9 3HG2 THR 9 15.806 -3.990 -4.423 60 3HG2 THR 9 2HG2 THR 9 17.310 -4.456 -3.639 61 H ALA 10 H ALA 10 15.610 0.246 -1.806 62 HA ALA 10 HA ALA 10 18.055 1.407 -0.944 63 1HB ALA 10 1HB ALA 10 16.000 2.423 -2.226 64 2HB ALA 10 3HB ALA 10 15.339 2.710 -0.618 65 3HB ALA 10 2HB ALA 10 16.859 3.470 -1.099 66 H ALA 11 H ALA 11 14.950 0.917 0.705 67 HA ALA 11 HA ALA 11 15.557 1.783 3.320 68 1HB ALA 11 3HB ALA 11 13.258 1.049 2.294 69 2HB ALA 11 2HB ALA 11 13.706 -0.555 2.864 70 3HB ALA 11 1HB ALA 11 13.544 0.778 4.007 71 H TYR 12 H TYR 12 15.887 -1.381 1.814 72 HA TYR 12 HA TYR 12 16.884 -2.830 4.071 73 1HB TYR 12 2HB TYR 12 16.811 -3.291 1.068 74 2HB TYR 12 1HB TYR 12 17.895 -4.266 2.042 75 HD1 TYR 12 HD1 TYR 12 14.719 -3.235 3.664 76 HD2 TYR 12 HD2 TYR 12 16.649 -6.205 1.231 77 HE1 TYR 12 HE1 TYR 12 12.904 -4.812 4.154 78 HE2 TYR 12 HE2 TYR 12 14.821 -7.792 1.726 79 HH TYR 12 HH TYR 12 13.020 -7.879 3.951 80 H LYS 13 H LYS 13 18.892 -1.850 1.202 81 HA LYS 13 HA LYS 13 21.422 -2.056 1.944 82 1HB LYS 13 2HB LYS 13 20.603 -0.954 -0.084 83 2HB LYS 13 1HB LYS 13 20.195 0.482 0.833 84 1HG LYS 13 2HG LYS 13 22.823 0.285 1.467 85 2HG LYS 13 1HG LYS 13 22.851 -0.523 -0.090 86 1HD LYS 13 2HD LYS 13 23.252 1.691 -0.665 87 2HD LYS 13 1HD LYS 13 21.517 1.574 -0.923 88 1HE LYS 13 2HE LYS 13 21.033 2.758 1.070 89 2HE LYS 13 1HE LYS 13 22.628 2.453 1.733 90 1HZ LYS 13 2HZ LYS 13 22.214 4.129 -0.690 91 2HZ LYS 13 1HZ LYS 13 22.200 4.761 0.888 92 3HZ LYS 13 3HZ LYS 13 23.600 4.018 0.300 93 H THR 14 H THR 14 19.477 0.728 3.089 94 HA THR 14 HA THR 14 21.415 1.937 4.791 95 HB THR 14 HB THR 14 18.373 1.992 4.915 96 HG1 THR 14 HG1 THR 14 18.729 2.885 3.022 97 1HG2 THR 14 3HG2 THR 14 20.465 3.579 6.341 98 2HG2 THR 14 2HG2 THR 14 18.971 4.387 5.852 99 3HG2 THR 14 1HG2 THR 14 18.906 2.983 6.906 100 H LEU 15 H LEU 15 18.508 0.142 5.861 101 HA LEU 15 HA LEU 15 19.314 -0.351 8.515 102 1HB LEU 15 2HB LEU 15 16.988 -0.488 7.868 103 2HB LEU 15 1HB LEU 15 17.321 -1.778 6.729 104 HG LEU 15 HG LEU 15 18.136 -3.092 8.857 105 1HD1 LEU 15 3HD1 LEU 15 18.020 -1.031 10.305 106 2HD1 LEU 15 2HD1 LEU 15 16.265 -1.097 10.149 107 3HD1 LEU 15 1HD1 LEU 15 17.133 -2.420 10.931 108 1HD2 LEU 15 2HD2 LEU 15 16.124 -3.637 7.518 109 2HD2 LEU 15 1HD2 LEU 15 15.825 -3.868 9.240 110 3HD2 LEU 15 3HD2 LEU 15 15.201 -2.435 8.421 111 H VAL 16 H VAL 16 19.266 -2.784 5.910 112 HA VAL 16 HA VAL 16 20.449 -4.973 7.018 113 HB VAL 16 HB VAL 16 20.816 -3.846 4.215 114 1HG1 VAL 16 1HG1 VAL 16 21.355 -6.648 5.213 115 2HG1 VAL 16 3HG1 VAL 16 21.319 -6.150 3.518 116 3HG1 VAL 16 2HG1 VAL 16 22.556 -5.498 4.599 117 1HG2 VAL 16 2HG2 VAL 16 18.906 -5.919 5.335 118 2HG2 VAL 16 1HG2 VAL 16 18.481 -4.337 4.687 119 3HG2 VAL 16 3HG2 VAL 16 19.121 -5.585 3.621 120 H SER 17 H SER 17 22.299 -2.242 5.535 121 HA SER 17 HA SER 17 24.881 -3.289 6.225 122 1HB SER 17 2HB SER 17 23.959 -0.506 5.456 123 2HB SER 17 1HB SER 17 25.603 -0.819 5.994 124 HG SER 17 HG SER 17 25.722 -1.184 3.858 125 H ILE 18 H ILE 18 22.568 -1.269 8.003 126 HA ILE 18 HA ILE 18 24.541 -0.835 10.140 127 HB ILE 18 HB ILE 18 22.628 0.721 9.083 128 1HG1 ILE 18 2HG1 ILE 18 24.575 1.032 10.895 129 2HG1 ILE 18 1HG1 ILE 18 23.480 2.300 10.412 130 1HG2 ILE 18 2HG2 ILE 18 20.778 -0.632 10.078 131 2HG2 ILE 18 1HG2 ILE 18 21.180 0.137 11.606 132 3HG2 ILE 18 3HG2 ILE 18 20.709 1.123 10.223 133 1HD1 ILE 18 3HD1 ILE 18 22.533 0.665 12.687 134 2HD1 ILE 18 2HD1 ILE 18 24.015 1.570 12.997 135 3HD1 ILE 18 1HD1 ILE 18 22.559 2.413 12.482 136 H LEU 19 H LEU 19 24.546 -3.332 10.116 137 HA LEU 19 HA LEU 19 22.945 -4.296 12.418 138 1HB LEU 19 2HB LEU 19 23.489 -5.903 9.912 139 2HB LEU 19 1HB LEU 19 22.778 -6.535 11.381 140 HG LEU 19 HG LEU 19 21.575 -4.316 9.704 141 1HD1 LEU 19 3HD1 LEU 19 20.956 -7.278 9.804 142 2HD1 LEU 19 2HD1 LEU 19 19.956 -6.076 8.992 143 3HD1 LEU 19 1HD1 LEU 19 21.599 -6.377 8.432 144 1HD2 LEU 19 2HD2 LEU 19 21.000 -4.914 12.336 145 2HD2 LEU 19 1HD2 LEU 19 19.846 -4.231 11.194 146 3HD2 LEU 19 3HD2 LEU 19 19.867 -5.966 11.486 147 H SER 20 H SER 20 25.711 -5.388 10.360 148 HA SER 20 HA SER 20 27.036 -6.495 12.765 149 1HB SER 20 2HB SER 20 26.896 -7.280 9.974 150 2HB SER 20 1HB SER 20 28.567 -6.991 10.379 151 HG SER 20 HG SER 20 26.719 -8.830 11.430 152 H ASP 21 H ASP 21 26.976 -3.938 13.057 153 HA ASP 21 HA ASP 21 29.692 -2.856 12.485 154 1HB ASP 21 2HB ASP 21 27.753 -1.958 11.104 155 2HB ASP 21 1HB ASP 21 27.124 -1.273 12.579 156 H ALA 22 H ALA 22 30.296 -1.154 14.024 157 HA ALA 22 HA ALA 22 29.609 -1.818 16.785 158 1HB ALA 22 2HB ALA 22 31.671 0.071 15.582 159 2HB ALA 22 1HB ALA 22 31.497 -0.232 17.307 160 3HB ALA 22 3HB ALA 22 31.964 -1.540 16.225 161 H SER 23 H SER 23 27.788 -0.035 14.780 162 HA SER 23 HA SER 23 27.356 2.284 16.563 163 1HB SER 23 2HB SER 23 27.739 2.732 14.152 164 2HB SER 23 1HB SER 23 26.406 1.682 13.733 165 HG SER 23 HG SER 23 25.210 3.422 13.984 166 H PHE 24 H PHE 24 25.428 -0.108 14.718 167 HA PHE 24 HA PHE 24 22.989 0.197 16.159 168 1HB PHE 24 2HB PHE 24 23.266 -0.873 13.851 169 2HB PHE 24 1HB PHE 24 23.965 -2.270 14.631 170 HD1 PHE 24 HD2 PHE 24 20.871 -0.305 14.097 171 HD2 PHE 24 HD1 PHE 24 22.545 -3.868 15.825 172 HE1 PHE 24 HE2 PHE 24 18.597 -1.229 14.391 173 HE2 PHE 24 HE1 PHE 24 20.266 -4.788 16.115 174 HZ PHE 24 HZ PHE 24 18.293 -3.474 15.402 175 H ASN 25 H ASN 25 25.681 -2.150 16.456 176 HA ASN 25 HA ASN 25 24.686 -3.639 18.650 177 1HB ASN 25 2HB ASN 25 27.022 -3.760 17.168 178 2HB ASN 25 1HB ASN 25 27.611 -3.161 18.699 179 1HD2 ASN 25 2HD2 ASN 25 27.957 -6.726 19.112 180 2HD2 ASN 25 1HD2 ASN 25 28.784 -5.397 18.463 181 H GLN 26 H GLN 26 26.887 -0.862 18.620 182 HA GLN 26 HA GLN 26 27.163 -0.488 21.359 183 1HB GLN 26 2HB GLN 26 28.539 0.655 19.553 184 2HB GLN 26 1HB GLN 26 27.229 1.804 19.367 185 1HG GLN 26 2HG GLN 26 28.589 2.937 20.819 186 2HG GLN 26 1HG GLN 26 27.584 2.097 21.984 187 1HE2 GLN 26 2HE2 GLN 26 31.517 1.456 22.128 188 2HE2 GLN 26 1HE2 GLN 26 30.828 2.790 21.345 189 H CYS 27 H CYS 27 24.633 0.767 19.225 190 HA CYS 27 HA CYS 27 23.357 2.529 21.105 191 1HB CYS 27 2HB CYS 27 22.901 2.645 18.687 192 2HB CYS 27 1HB CYS 27 22.251 1.035 18.709 193 H SER 28 H SER 28 22.349 -0.648 19.929 194 HA SER 28 HA SER 28 20.284 -1.246 21.680 195 1HB SER 28 2HB SER 28 22.228 -3.243 20.498 196 2HB SER 28 1HB SER 28 20.668 -3.625 21.186 197 HG SER 28 HG SER 28 19.731 -2.304 19.522 198 H THR 29 H THR 29 23.732 -1.877 22.329 199 HA THR 29 HA THR 29 23.485 -3.374 24.685 200 HB THR 29 HB THR 29 25.636 -1.446 23.799 201 HG1 THR 29 HG1 THR 29 25.515 -4.288 23.698 202 1HG2 THR 29 3HG2 THR 29 25.834 -1.820 26.244 203 2HG2 THR 29 2HG2 THR 29 25.873 -3.561 25.964 204 3HG2 THR 29 1HG2 THR 29 27.170 -2.538 25.348 205 H ASP 30 H ASP 30 23.704 0.142 24.431 206 HA ASP 30 HA ASP 30 23.416 0.670 27.249 207 1HB ASP 30 2HB ASP 30 23.231 2.420 24.804 208 2HB ASP 30 1HB ASP 30 22.982 3.039 26.427 209 H SER 31 H SER 31 21.099 0.694 24.605 210 HA SER 31 HA SER 31 18.811 -0.196 25.444 211 1HB SER 31 2HB SER 31 19.129 2.446 26.852 212 2HB SER 31 1HB SER 31 17.575 2.158 26.096 213 HG SER 31 HG SER 31 18.739 1.056 28.321 214 H GLY 32 H GLY 32 18.986 -0.450 23.266 215 1HA GLY 32 2HA GLY 32 18.191 1.800 21.498 216 2HA GLY 32 1HA GLY 32 19.351 0.578 21.038 217 H TYR 33 H TYR 33 17.064 -1.257 22.596 218 HA TYR 33 HA TYR 33 15.435 -2.619 21.985 219 1HB TYR 33 2HB TYR 33 14.059 -0.855 22.092 220 2HB TYR 33 1HB TYR 33 14.738 -0.038 20.731 221 HD1 TYR 33 HD1 TYR 33 12.283 -2.792 21.660 222 HD2 TYR 33 HD2 TYR 33 13.998 -0.379 18.531 223 HE1 TYR 33 HE1 TYR 33 10.537 -3.534 20.099 224 HE2 TYR 33 HE2 TYR 33 12.242 -1.130 16.975 225 HH TYR 33 HH TYR 33 10.466 -3.707 17.320 226 H SER 34 H SER 34 14.737 -4.194 20.560 227 HA SER 34 HA SER 34 16.568 -4.755 18.377 228 1HB SER 34 2HB SER 34 15.340 -6.995 18.339 229 2HB SER 34 1HB SER 34 16.191 -6.603 19.816 230 HG SER 34 HG SER 34 14.216 -7.162 20.557 231 H MET 35 H MET 35 16.029 -3.313 16.771 232 HA MET 35 HA MET 35 13.344 -3.020 15.708 233 1HB MET 35 2HB MET 35 15.206 -1.278 15.637 234 2HB MET 35 1HB MET 35 15.952 -2.244 14.376 235 1HG MET 35 2HG MET 35 14.758 -0.765 13.086 236 2HG MET 35 1HG MET 35 13.517 -2.001 13.270 237 1HE MET 35 1HE MET 35 14.382 1.495 13.403 238 2HE MET 35 3HE MET 35 12.842 1.162 12.586 239 3HE MET 35 2HE MET 35 12.894 2.230 13.979 240 H LEU 36 H LEU 36 16.248 -4.747 14.680 241 HA LEU 36 HA LEU 36 15.019 -5.846 12.335 242 1HB LEU 36 2HB LEU 36 17.062 -6.673 11.738 243 2HB LEU 36 1HB LEU 36 17.467 -5.270 12.666 244 HG LEU 36 HG LEU 36 19.042 -6.809 13.319 245 1HD1 LEU 36 3HD1 LEU 36 17.999 -5.995 15.353 246 2HD1 LEU 36 2HD1 LEU 36 16.888 -7.366 15.347 247 3HD1 LEU 36 1HD1 LEU 36 18.618 -7.633 15.558 248 1HD2 LEU 36 2HD2 LEU 36 17.463 -8.698 12.160 249 2HD2 LEU 36 1HD2 LEU 36 18.926 -9.054 13.071 250 3HD2 LEU 36 3HD2 LEU 36 17.352 -9.171 13.854 251 H THR 37 H THR 37 14.551 -7.022 15.554 252 HA THR 37 HA THR 37 13.807 -9.660 14.406 253 HB THR 37 HB THR 37 14.659 -9.024 17.255 254 HG1 THR 37 HG1 THR 37 16.641 -9.537 16.656 255 1HG2 THR 37 2HG2 THR 37 13.946 -11.577 15.829 256 2HG2 THR 37 1HG2 THR 37 14.939 -11.567 17.288 257 3HG2 THR 37 3HG2 THR 37 13.293 -10.935 17.339 258 H ALA 38 H ALA 38 13.006 -7.249 16.901 259 HA ALA 38 HA ALA 38 10.361 -8.244 17.466 260 1HB ALA 38 3HB ALA 38 11.941 -7.055 19.008 261 2HB ALA 38 2HB ALA 38 11.544 -5.575 18.140 262 3HB ALA 38 1HB ALA 38 10.276 -6.459 19.005 263 H LYS 39 H LYS 39 8.419 -7.109 17.188 264 HA LYS 39 HA LYS 39 8.193 -5.441 14.752 265 1HB LYS 39 2HB LYS 39 6.103 -6.381 14.340 266 2HB LYS 39 1HB LYS 39 7.146 -7.712 14.773 267 1HG LYS 39 2HG LYS 39 5.297 -6.422 16.805 268 2HG LYS 39 1HG LYS 39 4.718 -7.615 15.663 269 1HD LYS 39 2HD LYS 39 6.882 -8.940 16.593 270 2HD LYS 39 1HD LYS 39 6.510 -7.958 18.005 271 1HE LYS 39 2HE LYS 39 5.223 -9.850 18.411 272 2HE LYS 39 1HE LYS 39 4.047 -8.813 17.615 273 1HZ LYS 39 2HZ LYS 39 5.682 -10.922 16.301 274 2HZ LYS 39 1HZ LYS 39 4.029 -11.044 16.687 275 3HZ LYS 39 3HZ LYS 39 4.547 -9.934 15.518 276 H ALA 40 H ALA 40 7.251 -5.460 18.151 277 HA ALA 40 HA ALA 40 5.561 -3.073 17.931 278 1HB ALA 40 2HB ALA 40 6.457 -4.664 20.346 279 2HB ALA 40 1HB ALA 40 5.305 -3.329 20.369 280 3HB ALA 40 3HB ALA 40 4.901 -4.823 19.515 281 H LEU 41 H LEU 41 6.417 -1.095 18.022 282 HA LEU 41 HA LEU 41 9.070 -0.331 18.339 283 1HB LEU 41 2HB LEU 41 6.535 1.245 18.747 284 2HB LEU 41 1HB LEU 41 8.122 1.989 18.798 285 HG LEU 41 HG LEU 41 7.195 0.350 16.425 286 1HD1 LEU 41 1HD1 LEU 41 6.631 3.211 17.141 287 2HD1 LEU 41 3HD1 LEU 41 6.840 2.757 15.450 288 3HD1 LEU 41 2HD1 LEU 41 5.566 2.012 16.409 289 1HD2 LEU 41 1HD2 LEU 41 9.316 2.495 16.830 290 2HD2 LEU 41 3HD2 LEU 41 9.601 0.784 16.508 291 3HD2 LEU 41 2HD2 LEU 41 8.885 1.806 15.266 292 HA PRO 42 HA PRO 42 9.988 -0.189 22.652 293 1HB PRO 42 2HB PRO 42 11.737 1.883 22.841 294 2HB PRO 42 1HB PRO 42 12.140 0.297 22.147 295 1HG PRO 42 2HG PRO 42 11.606 2.867 20.768 296 2HG PRO 42 1HG PRO 42 12.657 1.522 20.284 297 1HD PRO 42 2HD PRO 42 10.139 2.004 19.217 298 2HD PRO 42 1HD PRO 42 11.000 0.456 19.142 299 H THR 43 H THR 43 9.757 0.911 24.635 300 HA THR 43 HA THR 43 7.558 2.786 24.773 301 HB THR 43 HB THR 43 9.174 2.065 27.200 302 HG1 THR 43 HG1 THR 43 8.188 0.046 27.339 303 1HG2 THR 43 1HG2 THR 43 7.249 3.545 27.429 304 2HG2 THR 43 3HG2 THR 43 6.197 2.313 26.733 305 3HG2 THR 43 2HG2 THR 43 6.987 2.027 28.283 306 H THR 44 H THR 44 7.617 4.824 25.687 307 HA THR 44 HA THR 44 9.335 6.741 24.889 308 HB THR 44 HB THR 44 7.178 7.229 25.702 309 HG1 THR 44 HG1 THR 44 9.117 8.649 27.204 310 1HG2 THR 44 2HG2 THR 44 6.935 5.687 27.572 311 2HG2 THR 44 1HG2 THR 44 8.091 6.620 28.523 312 3HG2 THR 44 3HG2 THR 44 6.544 7.325 28.063 313 H ALA 45 H ALA 45 9.803 4.988 27.899 314 HA ALA 45 HA ALA 45 11.828 6.527 29.104 315 1HB ALA 45 2HB ALA 45 11.494 3.492 29.143 316 2HB ALA 45 1HB ALA 45 12.489 4.408 30.267 317 3HB ALA 45 3HB ALA 45 10.741 4.624 30.263 318 H GLN 46 H GLN 46 12.121 3.784 26.852 319 HA GLN 46 HA GLN 46 14.959 3.946 26.500 320 1HB GLN 46 2HB GLN 46 12.825 2.591 24.808 321 2HB GLN 46 1HB GLN 46 14.565 2.460 24.519 322 1HG GLN 46 2HG GLN 46 14.508 1.864 27.155 323 2HG GLN 46 1HG GLN 46 12.924 1.276 26.694 324 1HE2 GLN 46 2HE2 GLN 46 14.559 -1.751 25.961 325 2HE2 GLN 46 1HE2 GLN 46 13.446 -0.947 26.965 326 H TYR 47 H TYR 47 12.254 5.497 24.856 327 HA TYR 47 HA TYR 47 13.544 6.426 22.520 328 1HB TYR 47 2HB TYR 47 11.084 7.085 23.974 329 2HB TYR 47 1HB TYR 47 11.810 8.514 23.260 330 HD1 TYR 47 HD2 TYR 47 12.385 8.501 20.787 331 HD2 TYR 47 HD1 TYR 47 9.956 5.466 22.643 332 HE1 TYR 47 HE2 TYR 47 11.520 7.839 18.564 333 HE2 TYR 47 HE1 TYR 47 9.095 4.808 20.416 334 HH TYR 47 HH TYR 47 9.075 6.535 17.872 335 H LYS 48 H LYS 48 13.084 8.185 25.646 336 HA LYS 48 HA LYS 48 14.760 10.332 24.912 337 1HB LYS 48 2HB LYS 48 14.571 11.172 27.100 338 2HB LYS 48 1HB LYS 48 13.068 10.348 26.783 339 1HG LYS 48 2HG LYS 48 14.313 8.354 28.055 340 2HG LYS 48 1HG LYS 48 15.250 9.702 28.728 341 1HD LYS 48 2HD LYS 48 12.937 10.845 28.987 342 2HD LYS 48 1HD LYS 48 12.301 9.212 28.882 343 1HE LYS 48 2HE LYS 48 14.457 9.972 30.878 344 2HE LYS 48 1HE LYS 48 12.757 10.191 31.232 345 1HZ LYS 48 3HZ LYS 48 12.982 7.575 30.335 346 2HZ LYS 48 2HZ LYS 48 14.327 7.824 31.328 347 3HZ LYS 48 1HZ LYS 48 12.769 8.103 31.927 348 H LEU 49 H LEU 49 15.504 7.339 26.602 349 HA LEU 49 HA LEU 49 18.223 7.805 27.266 350 1HB LEU 49 2HB LEU 49 16.683 5.305 26.572 351 2HB LEU 49 1HB LEU 49 18.380 5.227 27.029 352 HG LEU 49 HG LEU 49 16.234 6.523 28.719 353 1HD1 LEU 49 2HD1 LEU 49 16.004 3.980 28.273 354 2HD1 LEU 49 1HD1 LEU 49 17.435 3.827 29.291 355 3HD1 LEU 49 3HD1 LEU 49 15.963 4.546 29.941 356 1HD2 LEU 49 3HD2 LEU 49 18.980 6.768 28.892 357 2HD2 LEU 49 2HD2 LEU 49 17.872 6.959 30.246 358 3HD2 LEU 49 1HD2 LEU 49 18.667 5.413 29.977 359 H MET 50 H MET 50 16.850 6.415 24.322 360 HA MET 50 HA MET 50 19.181 5.879 22.823 361 1HB MET 50 2HB MET 50 16.352 6.570 21.972 362 2HB MET 50 1HB MET 50 17.607 6.220 20.805 363 1HG MET 50 2HG MET 50 17.759 3.974 21.460 364 2HG MET 50 1HG MET 50 17.012 4.276 23.031 365 1HE MET 50 1HE MET 50 15.869 2.252 22.628 366 2HE MET 50 3HE MET 50 14.168 2.278 22.113 367 3HE MET 50 2HE MET 50 15.431 1.810 20.985 368 H CYS 51 H CYS 51 17.049 8.732 22.914 369 HA CYS 51 HA CYS 51 18.204 10.346 20.994 370 1HB CYS 51 2HB CYS 51 16.740 11.054 23.539 371 2HB CYS 51 1HB CYS 51 17.259 12.285 22.386 372 H ALA 52 H ALA 52 19.452 9.818 24.242 373 HA ALA 52 HA ALA 52 21.797 11.525 23.636 374 1HB ALA 52 1HB ALA 52 20.213 12.437 25.397 375 2HB ALA 52 3HB ALA 52 20.624 11.041 26.396 376 3HB ALA 52 2HB ALA 52 21.867 12.201 25.945 377 H SER 53 H SER 53 21.749 8.847 22.854 378 HA SER 53 HA SER 53 23.530 7.354 24.707 379 1HB SER 53 2HB SER 53 21.328 6.338 23.937 380 2HB SER 53 1HB SER 53 22.006 6.278 22.327 381 HG SER 53 HG SER 53 22.406 4.307 23.316 382 H THR 54 H THR 54 23.886 9.307 21.958 383 HA THR 54 HA THR 54 25.556 9.781 20.587 384 HB THR 54 HB THR 54 27.250 7.631 21.930 385 HG1 THR 54 HG1 THR 54 26.867 10.360 22.639 386 1HG2 THR 54 3HG2 THR 54 27.935 9.975 20.159 387 2HG2 THR 54 2HG2 THR 54 29.117 9.191 21.203 388 3HG2 THR 54 1HG2 THR 54 28.321 8.269 19.933 389 H ALA 55 H ALA 55 26.049 6.235 20.848 390 HA ALA 55 HA ALA 55 26.379 5.641 18.141 391 1HB ALA 55 3HB ALA 55 26.705 4.018 20.046 392 2HB ALA 55 2HB ALA 55 24.952 3.847 20.095 393 3HB ALA 55 1HB ALA 55 25.837 3.360 18.654 394 H CYS 56 H CYS 56 23.368 5.624 19.983 395 HA CYS 56 HA CYS 56 21.664 4.650 18.002 396 1HB CYS 56 2HB CYS 56 20.897 6.569 20.235 397 2HB CYS 56 1HB CYS 56 19.769 5.588 19.308 398 H ASN 57 H ASN 57 22.290 8.008 18.846 399 HA ASN 57 HA ASN 57 20.764 9.349 16.819 400 1HB ASN 57 2HB ASN 57 22.144 10.143 19.028 401 2HB ASN 57 1HB ASN 57 23.311 10.584 17.807 402 1HD2 ASN 57 2HD2 ASN 57 20.544 13.199 18.622 403 2HD2 ASN 57 1HD2 ASN 57 21.217 12.071 19.698 404 H THR 58 H THR 58 24.031 8.010 16.760 405 HA THR 58 HA THR 58 24.920 9.094 14.291 406 HB THR 58 HB THR 58 25.509 6.376 15.490 407 HG1 THR 58 HG1 THR 58 26.513 8.882 16.178 408 1HG2 THR 58 3HG2 THR 58 27.024 7.993 13.448 409 2HG2 THR 58 2HG2 THR 58 27.763 6.679 14.359 410 3HG2 THR 58 1HG2 THR 58 26.393 6.353 13.303 411 H MET 59 H MET 59 23.228 6.078 15.059 412 HA MET 59 HA MET 59 22.870 5.011 12.480 413 1HB MET 59 2HB MET 59 20.551 4.731 14.324 414 2HB MET 59 1HB MET 59 21.227 3.570 13.223 415 1HG MET 59 2HG MET 59 22.985 3.059 14.855 416 2HG MET 59 1HG MET 59 22.430 4.375 15.895 417 1HE MET 59 1HE MET 59 19.771 4.530 16.542 418 2HE MET 59 3HE MET 59 18.989 3.682 15.197 419 3HE MET 59 2HE MET 59 18.778 3.114 16.840 420 H ILE 60 H ILE 60 20.463 6.887 14.285 421 HA ILE 60 HA ILE 60 18.639 7.148 12.155 422 HB ILE 60 HB ILE 60 18.824 8.969 14.572 423 1HG1 ILE 60 2HG1 ILE 60 18.349 6.896 15.561 424 2HG1 ILE 60 1HG1 ILE 60 16.782 7.516 15.254 425 1HG2 ILE 60 2HG2 ILE 60 17.439 9.872 12.709 426 2HG2 ILE 60 1HG2 ILE 60 16.457 8.407 12.766 427 3HG2 ILE 60 3HG2 ILE 60 16.507 9.493 14.151 428 1HD1 ILE 60 3HD1 ILE 60 18.167 5.584 13.378 429 2HD1 ILE 60 2HD1 ILE 60 17.095 5.095 14.680 430 3HD1 ILE 60 1HD1 ILE 60 16.476 6.086 13.358 431 H LYS 61 H LYS 61 20.914 9.619 13.279 432 HA LYS 61 HA LYS 61 20.360 11.567 11.294 433 1HB LYS 61 2HB LYS 61 23.061 10.898 12.526 434 2HB LYS 61 1HB LYS 61 22.753 12.324 11.536 435 1HG LYS 61 2HG LYS 61 20.805 12.742 13.226 436 2HG LYS 61 1HG LYS 61 21.714 11.657 14.267 437 1HD LYS 61 2HD LYS 61 22.801 14.204 13.023 438 2HD LYS 61 1HD LYS 61 22.241 14.054 14.684 439 1HE LYS 61 2HE LYS 61 23.983 12.117 14.845 440 2HE LYS 61 1HE LYS 61 24.665 12.825 13.392 441 1HZ LYS 61 3HZ LYS 61 24.631 15.019 14.784 442 2HZ LYS 61 2HZ LYS 61 24.491 13.969 16.108 443 3HZ LYS 61 1HZ LYS 61 25.833 13.866 15.087 444 H LYS 62 H LYS 62 22.407 8.718 11.076 445 HA LYS 62 HA LYS 62 23.497 9.147 8.484 446 1HB LYS 62 2HB LYS 62 24.281 7.420 10.158 447 2HB LYS 62 1HB LYS 62 22.883 6.445 9.726 448 1HG LYS 62 2HG LYS 62 23.833 6.829 7.255 449 2HG LYS 62 1HG LYS 62 25.334 7.078 8.136 450 1HD LYS 62 2HD LYS 62 25.447 4.898 8.866 451 2HD LYS 62 1HD LYS 62 23.700 4.681 8.852 452 1HE LYS 62 2HE LYS 62 23.655 4.457 6.468 453 2HE LYS 62 1HE LYS 62 25.329 4.975 6.316 454 1HZ LYS 62 1HZ LYS 62 24.833 2.611 7.980 455 2HZ LYS 62 3HZ LYS 62 24.600 2.420 6.311 456 3HZ LYS 62 2HZ LYS 62 26.101 2.952 6.911 457 H ILE 63 H ILE 63 20.573 7.387 9.456 458 HA ILE 63 HA ILE 63 19.753 6.708 6.798 459 HB ILE 63 HB ILE 63 17.904 7.029 9.202 460 1HG1 ILE 63 2HG1 ILE 63 19.660 4.728 8.279 461 2HG1 ILE 63 1HG1 ILE 63 19.667 5.529 9.829 462 1HG2 ILE 63 1HG2 ILE 63 17.338 6.499 6.502 463 2HG2 ILE 63 3HG2 ILE 63 17.241 4.933 7.308 464 3HG2 ILE 63 2HG2 ILE 63 16.258 6.277 7.878 465 1HD1 ILE 63 3HD1 ILE 63 17.318 4.592 10.177 466 2HD1 ILE 63 2HD1 ILE 63 17.602 3.609 8.740 467 3HD1 ILE 63 1HD1 ILE 63 18.625 3.409 10.158 468 H VAL 64 H VAL 64 18.948 9.474 8.863 469 HA VAL 64 HA VAL 64 17.094 10.786 7.207 470 HB VAL 64 HB VAL 64 19.117 11.968 9.143 471 1HG1 VAL 64 2HG1 VAL 64 16.625 13.163 7.903 472 2HG1 VAL 64 1HG1 VAL 64 17.434 13.847 9.305 473 3HG1 VAL 64 3HG1 VAL 64 18.275 13.761 7.759 474 1HG2 VAL 64 2HG2 VAL 64 17.454 10.253 10.033 475 2HG2 VAL 64 1HG2 VAL 64 17.409 11.833 10.803 476 3HG2 VAL 64 3HG2 VAL 64 16.184 11.397 9.616 477 H THR 65 H THR 65 20.604 11.215 7.366 478 HA THR 65 HA THR 65 20.865 13.081 5.279 479 HB THR 65 HB THR 65 23.194 11.902 4.994 480 HG1 THR 65 HG1 THR 65 22.658 11.007 7.611 481 1HG2 THR 65 1HG2 THR 65 22.832 14.154 5.910 482 2HG2 THR 65 3HG2 THR 65 22.616 13.449 7.513 483 3HG2 THR 65 2HG2 THR 65 24.163 13.305 6.683 484 H LEU 66 H LEU 66 20.642 9.559 5.139 485 HA LEU 66 HA LEU 66 21.219 9.321 2.328 486 1HB LEU 66 2HB LEU 66 19.500 7.439 3.948 487 2HB LEU 66 1HB LEU 66 20.216 7.104 2.389 488 HG LEU 66 HG LEU 66 21.524 7.319 5.084 489 1HD1 LEU 66 1HD1 LEU 66 21.392 5.177 2.975 490 2HD1 LEU 66 3HD1 LEU 66 22.466 5.100 4.377 491 3HD1 LEU 66 2HD1 LEU 66 20.720 5.159 4.602 492 1HD2 LEU 66 2HD2 LEU 66 22.939 8.580 3.411 493 2HD2 LEU 66 1HD2 LEU 66 23.726 7.159 4.084 494 3HD2 LEU 66 3HD2 LEU 66 23.042 7.097 2.461 495 H ASN 67 H ASN 67 18.254 9.988 4.076 496 HA ASN 67 HA ASN 67 16.162 10.315 3.617 497 1HB ASN 67 2HB ASN 67 15.630 12.049 1.984 498 2HB ASN 67 1HB ASN 67 17.059 12.420 2.916 499 1HD2 ASN 67 2HD2 ASN 67 17.279 12.139 -1.144 500 2HD2 ASN 67 1HD2 ASN 67 15.830 11.761 -0.349 501 HA PRO 68 HA PRO 68 15.227 6.823 0.946 502 1HB PRO 68 2HB PRO 68 13.502 5.637 2.693 503 2HB PRO 68 1HB PRO 68 15.261 5.413 2.729 504 1HG PRO 68 2HG PRO 68 13.540 6.997 4.553 505 2HG PRO 68 1HG PRO 68 15.113 6.228 4.853 506 1HD PRO 68 2HD PRO 68 14.714 8.965 4.369 507 2HD PRO 68 1HD PRO 68 16.269 8.113 4.340 508 HA PRO 69 HA PRO 69 11.358 8.172 -0.748 509 1HB PRO 69 2HB PRO 69 10.207 5.873 -1.642 510 2HB PRO 69 1HB PRO 69 11.611 6.636 -2.410 511 1HG PRO 69 2HG PRO 69 11.508 4.204 -0.711 512 2HG PRO 69 1HG PRO 69 12.652 4.643 -1.992 513 1HD PRO 69 2HD PRO 69 13.143 4.837 0.757 514 2HD PRO 69 1HD PRO 69 14.104 5.598 -0.528 515 H ASN 70 H ASN 70 9.202 8.524 -0.371 516 HA ASN 70 HA ASN 70 8.152 7.899 2.243 517 1HB ASN 70 2HB ASN 70 7.736 10.089 1.120 518 2HB ASN 70 1HB ASN 70 6.835 9.272 -0.138 519 1HD2 ASN 70 2HD2 ASN 70 4.803 10.486 3.047 520 2HD2 ASN 70 1HD2 ASN 70 6.304 11.131 2.592 521 H CYS 71 H CYS 71 7.817 5.809 2.481 522 HA CYS 71 HA CYS 71 5.460 4.588 1.680 523 1HB CYS 71 2HB CYS 71 6.176 2.747 0.255 524 2HB CYS 71 1HB CYS 71 6.441 4.289 -0.537 525 H ASP 72 H ASP 72 5.031 2.690 2.585 526 HA ASP 72 HA ASP 72 6.275 2.074 5.084 527 1HB ASP 72 2HB ASP 72 4.073 0.675 3.561 528 2HB ASP 72 1HB ASP 72 4.572 0.246 5.183 529 H LEU 73 H LEU 73 7.797 0.624 5.552 530 HA LEU 73 HA LEU 73 8.653 -1.385 3.548 531 1HB LEU 73 2HB LEU 73 10.461 0.053 3.956 532 2HB LEU 73 1HB LEU 73 10.080 0.231 5.655 533 HG LEU 73 HG LEU 73 10.765 -2.277 5.841 534 1HD1 LEU 73 1HD1 LEU 73 11.384 -1.709 3.019 535 2HD1 LEU 73 3HD1 LEU 73 12.706 -2.448 3.923 536 3HD1 LEU 73 2HD1 LEU 73 11.141 -3.246 3.845 537 1HD2 LEU 73 3HD2 LEU 73 12.407 0.171 5.603 538 2HD2 LEU 73 2HD2 LEU 73 12.326 -1.011 6.901 539 3HD2 LEU 73 1HD2 LEU 73 13.313 -1.337 5.481 540 H THR 74 H THR 74 8.233 -3.446 3.958 541 HA THR 74 HA THR 74 7.216 -4.238 6.603 542 HB THR 74 HB THR 74 7.256 -6.168 4.341 543 HG1 THR 74 HG1 THR 74 6.335 -4.523 3.225 544 1HG2 THR 74 2HG2 THR 74 5.476 -5.615 6.684 545 2HG2 THR 74 1HG2 THR 74 4.929 -6.616 5.343 546 3HG2 THR 74 3HG2 THR 74 6.354 -7.085 6.266 547 H VAL 75 H VAL 75 7.988 -5.836 7.791 548 HA VAL 75 HA VAL 75 10.720 -6.835 7.220 549 HB VAL 75 HB VAL 75 9.468 -6.410 9.959 550 1HG1 VAL 75 2HG1 VAL 75 12.290 -7.107 9.081 551 2HG1 VAL 75 1HG1 VAL 75 11.887 -6.601 10.714 552 3HG1 VAL 75 3HG1 VAL 75 11.217 -8.097 10.065 553 1HG2 VAL 75 3HG2 VAL 75 9.985 -4.279 8.613 554 2HG2 VAL 75 2HG2 VAL 75 10.799 -4.408 10.174 555 3HG2 VAL 75 1HG2 VAL 75 11.670 -4.776 8.688 556 HA PRO 76 HA PRO 76 8.512 -10.776 7.206 557 1HB PRO 76 2HB PRO 76 10.564 -12.266 6.191 558 2HB PRO 76 1HB PRO 76 9.518 -11.241 5.190 559 1HG PRO 76 2HG PRO 76 12.318 -10.776 6.044 560 2HG PRO 76 1HG PRO 76 11.461 -10.197 4.607 561 1HD PRO 76 2HD PRO 76 11.991 -8.664 6.892 562 2HD PRO 76 1HD PRO 76 10.833 -8.260 5.609 563 H THR 77 H THR 77 11.701 -10.266 8.695 564 HA THR 77 HA THR 77 11.627 -12.671 10.275 565 HB THR 77 HB THR 77 13.710 -11.687 9.412 566 HG1 THR 77 HG1 THR 77 13.675 -11.961 12.218 567 1HG2 THR 77 1HG2 THR 77 13.176 -9.461 11.366 568 2HG2 THR 77 3HG2 THR 77 14.771 -9.792 10.689 569 3HG2 THR 77 2HG2 THR 77 13.441 -9.353 9.627 570 H SER 78 H SER 78 10.059 -9.670 10.764 571 HA SER 78 HA SER 78 9.782 -10.230 13.665 572 1HB SER 78 2HB SER 78 9.177 -7.939 14.038 573 2HB SER 78 1HB SER 78 10.653 -7.939 13.111 574 HG SER 78 HG SER 78 9.099 -6.457 12.268 575 H GLY 79 H GLY 79 7.901 -9.429 10.793 576 1HA GLY 79 2HA GLY 79 5.810 -10.449 10.212 577 2HA GLY 79 1HA GLY 79 5.539 -10.841 11.904 578 H LEU 80 H LEU 80 6.239 -7.783 10.164 579 HA LEU 80 HA LEU 80 3.706 -6.573 10.529 580 1HB LEU 80 2HB LEU 80 5.092 -6.624 12.880 581 2HB LEU 80 1HB LEU 80 5.548 -5.048 12.254 582 HG LEU 80 HG LEU 80 3.082 -4.557 11.974 583 1HD1 LEU 80 2HD1 LEU 80 2.760 -7.116 13.573 584 2HD1 LEU 80 1HD1 LEU 80 1.486 -5.945 13.243 585 3HD1 LEU 80 3HD1 LEU 80 2.211 -6.853 11.922 586 1HD2 LEU 80 2HD2 LEU 80 4.548 -4.001 14.051 587 2HD2 LEU 80 1HD2 LEU 80 2.797 -3.893 14.191 588 3HD2 LEU 80 3HD2 LEU 80 3.641 -5.292 14.842 589 H VAL 81 H VAL 81 3.721 -4.209 9.990 590 HA VAL 81 HA VAL 81 5.768 -3.518 7.946 591 HB VAL 81 HB VAL 81 2.892 -2.593 8.247 592 1HG1 VAL 81 1HG1 VAL 81 4.998 -1.856 6.221 593 2HG1 VAL 81 3HG1 VAL 81 3.274 -1.655 5.907 594 3HG1 VAL 81 2HG1 VAL 81 4.026 -0.792 7.238 595 1HG2 VAL 81 2HG2 VAL 81 3.385 -4.996 7.308 596 2HG2 VAL 81 1HG2 VAL 81 2.281 -3.939 6.435 597 3HG2 VAL 81 3HG2 VAL 81 3.939 -4.125 5.875 598 H LEU 82 H LEU 82 6.805 -1.543 8.078 599 HA LEU 82 HA LEU 82 6.047 0.428 10.139 600 1HB LEU 82 2HB LEU 82 7.683 -0.954 11.243 601 2HB LEU 82 1HB LEU 82 8.763 -0.857 9.870 602 HG LEU 82 HG LEU 82 9.094 1.584 10.341 603 1HD1 LEU 82 3HD1 LEU 82 7.281 0.995 12.710 604 2HD1 LEU 82 2HD1 LEU 82 8.338 2.401 12.610 605 3HD1 LEU 82 1HD1 LEU 82 7.031 2.204 11.452 606 1HD2 LEU 82 2HD2 LEU 82 9.631 -0.486 12.463 607 2HD2 LEU 82 1HD2 LEU 82 10.743 0.227 11.294 608 3HD2 LEU 82 3HD2 LEU 82 10.172 1.180 12.661 609 H ASN 83 H ASN 83 6.239 2.490 9.497 610 HA ASN 83 HA ASN 83 7.189 3.053 6.794 611 1HB ASN 83 2HB ASN 83 5.013 4.047 7.617 612 2HB ASN 83 1HB ASN 83 5.941 5.024 8.759 613 1HD2 ASN 83 2HD2 ASN 83 6.096 5.963 4.772 614 2HD2 ASN 83 1HD2 ASN 83 5.476 4.453 5.237 615 H VAL 84 H VAL 84 9.329 3.028 6.761 616 HA VAL 84 HA VAL 84 10.992 4.135 8.799 617 HB VAL 84 HB VAL 84 11.610 3.003 6.065 618 1HG1 VAL 84 3HG1 VAL 84 13.357 4.711 6.581 619 2HG1 VAL 84 2HG1 VAL 84 13.662 3.896 8.113 620 3HG1 VAL 84 1HG1 VAL 84 13.987 3.064 6.593 621 1HG2 VAL 84 3HG2 VAL 84 11.898 2.095 8.923 622 2HG2 VAL 84 2HG2 VAL 84 10.994 1.331 7.619 623 3HG2 VAL 84 1HG2 VAL 84 12.753 1.295 7.605 624 H TYR 85 H TYR 85 9.790 5.528 5.785 625 HA TYR 85 HA TYR 85 11.532 7.682 5.421 626 1HB TYR 85 2HB TYR 85 9.570 7.164 3.895 627 2HB TYR 85 1HB TYR 85 8.530 7.904 5.085 628 HD1 TYR 85 HD1 TYR 85 11.904 8.895 3.730 629 HD2 TYR 85 HD2 TYR 85 7.795 9.994 4.325 630 HE1 TYR 85 HE1 TYR 85 12.384 11.128 2.815 631 HE2 TYR 85 HE2 TYR 85 8.276 12.246 3.399 632 HH TYR 85 HH TYR 85 10.281 13.154 1.646 633 H SER 86 H SER 86 8.471 7.893 7.185 634 HA SER 86 HA SER 86 9.051 10.425 8.420 635 1HB SER 86 2HB SER 86 6.727 9.069 8.092 636 2HB SER 86 1HB SER 86 7.062 8.648 9.756 637 HG SER 86 HG SER 86 6.513 10.626 10.268 638 H TYR 87 H TYR 87 9.643 7.164 9.531 639 HA TYR 87 HA TYR 87 10.124 7.461 12.237 640 1HB TYR 87 2HB TYR 87 10.299 5.298 11.221 641 2HB TYR 87 1HB TYR 87 11.589 5.816 10.179 642 HD1 TYR 87 HD2 TYR 87 10.823 5.740 13.857 643 HD2 TYR 87 HD1 TYR 87 13.736 5.215 10.747 644 HE1 TYR 87 HE2 TYR 87 12.503 5.068 15.552 645 HE2 TYR 87 HE1 TYR 87 15.424 4.545 12.434 646 HH TYR 87 HH TYR 87 14.742 3.573 15.483 647 H ALA 88 H ALA 88 12.799 7.504 9.919 648 HA ALA 88 HA ALA 88 14.678 8.675 11.691 649 1HB ALA 88 3HB ALA 88 14.503 7.868 8.867 650 2HB ALA 88 2HB ALA 88 15.717 9.107 9.181 651 3HB ALA 88 1HB ALA 88 15.770 7.557 10.046 652 H ASN 89 H ASN 89 12.995 10.145 8.956 653 HA ASN 89 HA ASN 89 13.856 12.767 9.120 654 1HB ASN 89 2HB ASN 89 11.878 11.440 7.674 655 2HB ASN 89 1HB ASN 89 11.006 12.709 8.523 656 1HD2 ASN 89 2HD2 ASN 89 13.735 13.754 5.661 657 2HD2 ASN 89 1HD2 ASN 89 13.764 12.170 6.248 658 H GLY 90 H GLY 90 11.518 11.302 11.355 659 1HA GLY 90 2HA GLY 90 11.266 13.926 12.744 660 2HA GLY 90 1HA GLY 90 9.967 12.773 12.639 661 H PHE 91 H PHE 91 12.794 11.003 13.341 662 HA PHE 91 HA PHE 91 12.113 10.049 15.832 663 1HB PHE 91 2HB PHE 91 14.080 9.311 14.375 664 2HB PHE 91 1HB PHE 91 15.000 10.591 15.108 665 HD1 PHE 91 HD2 PHE 91 12.928 7.572 16.021 666 HD2 PHE 91 HD1 PHE 91 16.210 10.150 17.042 667 HE1 PHE 91 HE2 PHE 91 13.533 6.066 17.883 668 HE2 PHE 91 HE1 PHE 91 16.815 8.640 18.906 669 HZ PHE 91 HZ PHE 91 15.483 6.594 19.336 670 H SER 92 H SER 92 14.447 12.684 15.412 671 HA SER 92 HA SER 92 14.613 13.353 18.193 672 1HB SER 92 2HB SER 92 15.522 14.868 15.729 673 2HB SER 92 1HB SER 92 15.822 15.427 17.366 674 HG SER 92 HG SER 92 17.312 13.888 17.559 675 H ASN 93 H ASN 93 12.655 14.840 15.607 676 HA ASN 93 HA ASN 93 11.670 17.044 17.084 677 1HB ASN 93 2HB ASN 93 11.387 16.530 14.561 678 2HB ASN 93 1HB ASN 93 9.989 15.571 15.036 679 1HD2 ASN 93 2HD2 ASN 93 7.963 18.473 15.478 680 2HD2 ASN 93 1HD2 ASN 93 7.998 16.774 15.432 681 H LYS 94 H LYS 94 10.316 13.737 16.741 682 HA LYS 94 HA LYS 94 8.106 14.221 18.504 683 1HB LYS 94 2HB LYS 94 9.352 11.523 17.778 684 2HB LYS 94 1HB LYS 94 7.798 11.744 18.561 685 1HG LYS 94 2HG LYS 94 8.487 12.757 15.786 686 2HG LYS 94 1HG LYS 94 7.683 11.242 16.117 687 1HD LYS 94 2HD LYS 94 5.701 12.270 16.196 688 2HD LYS 94 1HD LYS 94 6.253 13.355 17.470 689 1HE LYS 94 2HE LYS 94 7.305 14.782 15.681 690 2HE LYS 94 1HE LYS 94 6.567 13.740 14.479 691 1HZ LYS 94 2HZ LYS 94 4.806 14.943 16.517 692 2HZ LYS 94 1HZ LYS 94 5.419 15.945 15.300 693 3HZ LYS 94 3HZ LYS 94 4.501 14.596 14.884 694 H CYS 95 H CYS 95 11.304 12.816 19.006 695 HA CYS 95 HA CYS 95 11.178 12.189 21.763 696 1HB CYS 95 2HB CYS 95 13.045 11.656 20.076 697 2HB CYS 95 1HB CYS 95 13.616 13.289 20.337 698 H SER 96 H SER 96 11.772 15.316 20.175 699 HA SER 96 HA SER 96 12.522 16.774 22.523 700 1HB SER 96 2HB SER 96 12.932 17.469 20.059 701 2HB SER 96 1HB SER 96 11.260 17.977 20.047 702 HG SER 96 HG SER 96 13.320 18.890 21.819 703 H SER 97 H SER 97 9.462 16.537 20.755 704 HA SER 97 HA SER 97 7.929 18.107 22.634 705 1HB SER 97 2HB SER 97 7.433 17.333 20.082 706 2HB SER 97 1HB SER 97 6.508 16.110 20.924 707 HG SER 97 HG SER 97 5.539 18.309 20.352 708 H LEU 98 HN LEU 98 8.894 14.746 22.622 709 HA LEU 98 HA LEU 98 6.868 13.630 24.262 710 1HB LEU 98 2HB LEU 98 8.397 12.357 22.831 711 2HB LEU 98 1HB LEU 98 9.754 12.852 23.821 712 HG LEU 98 HG LEU 98 7.689 11.623 25.465 713 1HD1 LEU 98 2HD1 LEU 98 7.376 10.490 23.138 714 2HD1 LEU 98 1HD1 LEU 98 8.916 9.710 23.493 715 3HD1 LEU 98 3HD1 LEU 98 7.537 9.473 24.565 716 1HD2 LEU 98 3HD2 LEU 98 10.282 12.009 25.757 717 2HD2 LEU 98 2HD2 LEU 98 9.543 10.561 26.415 718 3HD2 LEU 98 1HD2 LEU 98 10.420 10.479 24.890 No H/Q in entry = 718 Start of MODEL 12 1 1H THR 1 1H THR 1 1.684 1.465 -2.296 2 2H THR 1 3H THR 1 1.009 -0.075 -2.101 3 3H THR 1 2H THR 1 0.002 1.287 -2.173 4 HA THR 1 HA THR 1 0.689 2.066 -0.096 5 HB THR 1 HB THR 1 0.290 -0.048 1.350 6 HG1 THR 1 HG1 THR 1 -0.702 -1.550 -0.663 7 1HG2 THR 1 1HG2 THR 1 -1.425 1.579 -0.232 8 2HG2 THR 1 3HG2 THR 1 -2.051 -0.067 -0.324 9 3HG2 THR 1 2HG2 THR 1 -1.813 0.700 1.239 10 H ALA 2 H ALA 2 2.509 -1.005 -0.527 11 HA ALA 2 HA ALA 2 4.652 -0.076 1.257 12 1HB ALA 2 3HB ALA 2 4.270 -2.645 -0.310 13 2HB ALA 2 2HB ALA 2 5.601 -2.342 0.803 14 3HB ALA 2 1HB ALA 2 3.949 -2.389 1.403 15 H CYS 3 H CYS 3 6.989 -0.668 0.404 16 HA CYS 3 HA CYS 3 7.624 1.101 -1.804 17 1HB CYS 3 2HB CYS 3 9.562 -0.964 -0.784 18 2HB CYS 3 1HB CYS 3 9.882 0.613 -1.455 19 H THR 4 H THR 4 8.540 0.489 -3.841 20 HA THR 4 HA THR 4 8.187 -2.339 -4.648 21 HB THR 4 HB THR 4 7.488 -1.512 -6.933 22 HG1 THR 4 HG1 THR 4 6.797 0.873 -5.554 23 1HG2 THR 4 2HG2 THR 4 5.704 -1.163 -4.519 24 2HG2 THR 4 1HG2 THR 4 5.101 -1.052 -6.167 25 3HG2 THR 4 3HG2 THR 4 5.826 -2.549 -5.596 26 H ALA 5 H ALA 5 9.727 -3.267 -5.721 27 HA ALA 5 HA ALA 5 11.841 -3.754 -6.298 28 1HB ALA 5 3HB ALA 5 10.908 -1.820 -8.412 29 2HB ALA 5 2HB ALA 5 12.427 -2.717 -8.560 30 3HB ALA 5 1HB ALA 5 10.901 -3.588 -8.451 31 H THR 6 H THR 6 12.686 -0.643 -7.673 32 HA THR 6 HA THR 6 15.152 -0.394 -6.427 33 HB THR 6 HB THR 6 14.223 0.775 -8.449 34 HG1 THR 6 HG1 THR 6 15.589 2.560 -6.738 35 1HG2 THR 6 2HG2 THR 6 12.204 1.787 -7.258 36 2HG2 THR 6 1HG2 THR 6 13.322 2.950 -6.551 37 3HG2 THR 6 3HG2 THR 6 13.125 2.872 -8.295 38 H GLN 7 H GLN 7 12.070 0.909 -5.233 39 HA GLN 7 HA GLN 7 13.054 2.469 -3.048 40 1HB GLN 7 2HB GLN 7 10.437 1.085 -3.570 41 2HB GLN 7 1HB GLN 7 10.711 2.070 -2.135 42 1HG GLN 7 2HG GLN 7 11.104 4.029 -3.444 43 2HG GLN 7 1HG GLN 7 11.179 3.103 -4.936 44 1HE2 GLN 7 2HE2 GLN 7 7.747 3.688 -5.463 45 2HE2 GLN 7 1HE2 GLN 7 9.316 3.639 -6.118 46 H GLN 8 H GLN 8 11.931 -0.864 -3.232 47 HA GLN 8 HA GLN 8 12.193 -1.529 -0.466 48 1HB GLN 8 2HB GLN 8 11.139 -2.819 -2.689 49 2HB GLN 8 1HB GLN 8 12.584 -3.760 -2.353 50 1HG GLN 8 2HG GLN 8 11.844 -3.838 0.054 51 2HG GLN 8 1HG GLN 8 10.286 -3.187 -0.489 52 1HE2 GLN 8 2HE2 GLN 8 11.212 -7.021 -1.725 53 2HE2 GLN 8 1HE2 GLN 8 12.511 -5.951 -1.515 54 H THR 9 H THR 9 14.252 -2.280 -3.229 55 HA THR 9 HA THR 9 16.389 -3.456 -1.773 56 HB THR 9 HB THR 9 17.719 -2.655 -3.823 57 HG1 THR 9 HG1 THR 9 16.499 -2.251 -5.637 58 1HG2 THR 9 3HG2 THR 9 15.610 -4.799 -3.889 59 2HG2 THR 9 2HG2 THR 9 16.916 -4.640 -5.077 60 3HG2 THR 9 1HG2 THR 9 17.302 -4.930 -3.381 61 H ALA 10 H ALA 10 15.596 -0.096 -2.305 62 HA ALA 10 HA ALA 10 18.132 1.069 -1.641 63 1HB ALA 10 2HB ALA 10 16.161 2.280 -2.765 64 2HB ALA 10 1HB ALA 10 15.357 2.237 -1.194 65 3HB ALA 10 3HB ALA 10 16.852 3.161 -1.393 66 H ALA 11 H ALA 11 15.146 0.339 0.123 67 HA ALA 11 HA ALA 11 15.909 1.133 2.722 68 1HB ALA 11 1HB ALA 11 13.599 0.391 2.076 69 2HB ALA 11 3HB ALA 11 14.171 -1.281 2.006 70 3HB ALA 11 2HB ALA 11 14.184 -0.409 3.542 71 H TYR 12 H TYR 12 16.312 -1.900 0.957 72 HA TYR 12 HA TYR 12 17.559 -3.457 2.940 73 1HB TYR 12 2HB TYR 12 17.923 -3.549 -0.094 74 2HB TYR 12 1HB TYR 12 18.771 -4.609 1.007 75 HD1 TYR 12 HD2 TYR 12 15.364 -3.928 2.132 76 HD2 TYR 12 HD1 TYR 12 17.789 -6.277 -0.539 77 HE1 TYR 12 HE2 TYR 12 13.564 -5.577 1.948 78 HE2 TYR 12 HE1 TYR 12 16.003 -7.927 -0.734 79 HH TYR 12 HH TYR 12 13.913 -8.615 0.894 80 H LYS 13 H LYS 13 19.325 -1.973 0.188 81 HA LYS 13 HA LYS 13 21.895 -2.018 0.831 82 1HB LYS 13 2HB LYS 13 21.020 -0.868 -1.112 83 2HB LYS 13 1HB LYS 13 20.339 0.394 -0.118 84 1HG LYS 13 2HG LYS 13 23.217 0.016 0.335 85 2HG LYS 13 1HG LYS 13 22.848 0.498 -1.316 86 1HD LYS 13 2HD LYS 13 21.585 2.428 -0.530 87 2HD LYS 13 1HD LYS 13 21.784 1.921 1.145 88 1HE LYS 13 2HE LYS 13 24.102 2.587 -0.697 89 2HE LYS 13 1HE LYS 13 23.381 3.723 0.433 90 1HZ LYS 13 2HZ LYS 13 23.818 1.934 2.195 91 2HZ LYS 13 1HZ LYS 13 24.858 1.227 1.059 92 3HZ LYS 13 3HZ LYS 13 25.151 2.796 1.606 93 H THR 14 H THR 14 19.677 0.291 2.470 94 HA THR 14 HA THR 14 21.806 1.369 4.102 95 HB THR 14 HB THR 14 18.808 1.638 4.396 96 HG1 THR 14 HG1 THR 14 20.611 3.475 3.186 97 1HG2 THR 14 1HG2 THR 14 20.974 2.595 6.055 98 2HG2 THR 14 3HG2 THR 14 20.114 3.953 5.319 99 3HG2 THR 14 2HG2 THR 14 19.237 2.756 6.266 100 H LEU 15 H LEU 15 18.882 -0.375 5.305 101 HA LEU 15 HA LEU 15 19.876 -0.932 7.856 102 1HB LEU 15 2HB LEU 15 18.045 -2.408 8.159 103 2HB LEU 15 1HB LEU 15 17.507 -1.172 7.053 104 HG LEU 15 HG LEU 15 18.290 -3.017 5.247 105 1HD1 LEU 15 2HD1 LEU 15 17.601 -4.536 7.772 106 2HD1 LEU 15 1HD1 LEU 15 17.466 -5.253 6.171 107 3HD1 LEU 15 3HD1 LEU 15 19.038 -4.725 6.772 108 1HD2 LEU 15 2HD2 LEU 15 15.674 -3.076 6.785 109 2HD2 LEU 15 1HD2 LEU 15 16.042 -2.045 5.397 110 3HD2 LEU 15 3HD2 LEU 15 15.942 -3.795 5.196 111 H VAL 16 H VAL 16 20.175 -2.897 5.012 112 HA VAL 16 HA VAL 16 21.545 -5.154 6.056 113 HB VAL 16 HB VAL 16 21.348 -3.976 3.243 114 1HG1 VAL 16 1HG1 VAL 16 23.220 -5.576 3.380 115 2HG1 VAL 16 3HG1 VAL 16 22.116 -6.781 4.067 116 3HG1 VAL 16 2HG1 VAL 16 21.872 -6.194 2.417 117 1HG2 VAL 16 2HG2 VAL 16 19.191 -4.641 4.317 118 2HG2 VAL 16 1HG2 VAL 16 19.578 -5.590 2.881 119 3HG2 VAL 16 3HG2 VAL 16 19.825 -6.278 4.489 120 H SER 17 H SER 17 22.651 -1.991 4.694 121 HA SER 17 HA SER 17 25.434 -2.542 4.595 122 1HB SER 17 2HB SER 17 23.815 -0.043 4.779 123 2HB SER 17 1HB SER 17 25.406 0.061 5.483 124 HG SER 17 HG SER 17 26.279 -0.387 3.514 125 H ILE 18 H ILE 18 23.258 -1.685 7.275 126 HA ILE 18 HA ILE 18 25.558 -1.568 9.120 127 HB ILE 18 HB ILE 18 22.620 -1.317 9.838 128 1HG1 ILE 18 2HG1 ILE 18 24.683 0.876 9.378 129 2HG1 ILE 18 1HG1 ILE 18 23.293 0.533 8.334 130 1HG2 ILE 18 2HG2 ILE 18 24.446 -1.898 11.649 131 2HG2 ILE 18 1HG2 ILE 18 24.942 -0.220 11.433 132 3HG2 ILE 18 3HG2 ILE 18 23.307 -0.590 11.957 133 1HD1 ILE 18 2HD1 ILE 18 21.838 0.836 10.401 134 2HD1 ILE 18 1HD1 ILE 18 23.264 1.492 11.191 135 3HD1 ILE 18 3HD1 ILE 18 22.594 2.314 9.778 136 H LEU 19 H LEU 19 22.828 -3.124 10.647 137 HA LEU 19 HA LEU 19 22.384 -5.125 11.425 138 1HB LEU 19 2HB LEU 19 24.206 -6.266 9.287 139 2HB LEU 19 1HB LEU 19 23.067 -7.168 10.278 140 HG LEU 19 HG LEU 19 22.386 -5.024 8.248 141 1HD1 LEU 19 1HD1 LEU 19 21.996 -8.024 8.341 142 2HD1 LEU 19 3HD1 LEU 19 21.154 -6.972 7.203 143 3HD1 LEU 19 2HD1 LEU 19 22.912 -7.089 7.153 144 1HD2 LEU 19 1HD2 LEU 19 20.592 -6.658 10.079 145 2HD2 LEU 19 3HD2 LEU 19 20.797 -4.905 10.106 146 3HD2 LEU 19 2HD2 LEU 19 20.012 -5.674 8.730 147 H SER 20 H SER 20 25.873 -4.926 10.737 148 HA SER 20 HA SER 20 26.454 -5.828 13.519 149 1HB SER 20 2HB SER 20 26.762 -7.547 11.601 150 2HB SER 20 1HB SER 20 28.111 -6.534 11.102 151 HG SER 20 HG SER 20 29.140 -7.670 12.580 152 H ASP 21 H ASP 21 26.223 -3.149 12.766 153 HA ASP 21 HA ASP 21 28.989 -2.113 12.462 154 1HB ASP 21 2HB ASP 21 26.885 -1.412 11.066 155 2HB ASP 21 1HB ASP 21 26.509 -0.434 12.464 156 H ALA 22 H ALA 22 29.789 -0.571 13.908 157 HA ALA 22 HA ALA 22 29.316 -0.923 16.660 158 1HB ALA 22 3HB ALA 22 30.710 1.306 15.162 159 2HB ALA 22 2HB ALA 22 30.664 1.228 16.923 160 3HB ALA 22 1HB ALA 22 31.442 -0.061 16.005 161 H SER 23 H SER 23 27.981 1.506 14.470 162 HA SER 23 HA SER 23 26.764 3.230 16.368 163 1HB SER 23 2HB SER 23 26.846 4.032 14.100 164 2HB SER 23 1HB SER 23 26.016 2.615 13.497 165 HG SER 23 HG SER 23 24.369 3.994 13.662 166 H PHE 24 H PHE 24 25.184 0.602 14.485 167 HA PHE 24 HA PHE 24 22.822 0.716 16.116 168 1HB PHE 24 2HB PHE 24 22.580 0.119 13.829 169 2HB PHE 24 1HB PHE 24 23.795 -1.108 13.912 170 HD1 PHE 24 HD1 PHE 24 20.433 -0.265 15.423 171 HD2 PHE 24 HD2 PHE 24 23.116 -3.314 14.007 172 HE1 PHE 24 HE1 PHE 24 18.681 -1.976 15.780 173 HE2 PHE 24 HE2 PHE 24 21.354 -5.019 14.367 174 HZ PHE 24 HZ PHE 24 19.146 -4.351 15.248 175 H ASN 25 H ASN 25 25.731 -1.304 16.306 176 HA ASN 25 HA ASN 25 24.734 -3.201 18.190 177 1HB ASN 25 2HB ASN 25 27.447 -2.303 17.343 178 2HB ASN 25 1HB ASN 25 27.331 -3.156 18.868 179 1HD2 ASN 25 2HD2 ASN 25 27.685 -5.478 15.797 180 2HD2 ASN 25 1HD2 ASN 25 28.450 -3.990 16.079 181 H GLN 26 H GLN 26 26.566 -0.235 18.738 182 HA GLN 26 HA GLN 26 26.527 -0.296 21.583 183 1HB GLN 26 2HB GLN 26 26.709 2.078 19.706 184 2HB GLN 26 1HB GLN 26 26.930 2.195 21.452 185 1HG GLN 26 2HG GLN 26 28.560 0.275 19.803 186 2HG GLN 26 1HG GLN 26 29.011 1.969 19.927 187 1HE2 GLN 26 2HE2 GLN 26 30.529 1.512 23.066 188 2HE2 GLN 26 1HE2 GLN 26 30.352 2.470 21.672 189 H CYS 27 H CYS 27 24.307 1.211 19.277 190 HA CYS 27 HA CYS 27 22.516 2.462 21.088 191 1HB CYS 27 2HB CYS 27 22.508 2.680 18.544 192 2HB CYS 27 1HB CYS 27 21.734 1.111 18.496 193 H SER 28 H SER 28 22.275 -0.718 19.538 194 HA SER 28 HA SER 28 19.979 -1.708 20.838 195 1HB SER 28 2HB SER 28 22.340 -3.220 19.704 196 2HB SER 28 1HB SER 28 20.864 -3.987 20.279 197 HG SER 28 HG SER 28 19.837 -3.232 18.527 198 H THR 29 H THR 29 23.282 -1.625 22.099 199 HA THR 29 HA THR 29 22.982 -3.517 24.198 200 HB THR 29 HB THR 29 24.770 -1.080 24.046 201 HG1 THR 29 HG1 THR 29 25.802 -2.259 22.654 202 1HG2 THR 29 1HG2 THR 29 24.693 -3.429 25.912 203 2HG2 THR 29 3HG2 THR 29 26.214 -2.601 25.564 204 3HG2 THR 29 2HG2 THR 29 24.866 -1.715 26.288 205 H ASP 30 H ASP 30 22.480 -0.025 24.228 206 HA ASP 30 HA ASP 30 21.551 0.118 26.986 207 1HB ASP 30 2HB ASP 30 21.713 2.195 24.802 208 2HB ASP 30 1HB ASP 30 21.237 2.540 26.469 209 H SER 31 H SER 31 20.179 0.287 23.752 210 HA SER 31 HA SER 31 17.435 0.295 24.808 211 1HB SER 31 2HB SER 31 17.887 2.296 23.401 212 2HB SER 31 1HB SER 31 18.555 1.284 22.133 213 HG SER 31 HG SER 31 16.534 0.762 21.545 214 H GLY 32 H GLY 32 17.845 -1.857 25.193 215 1HA GLY 32 2HA GLY 32 18.698 -3.976 23.585 216 2HA GLY 32 1HA GLY 32 17.428 -4.125 24.801 217 H TYR 33 H TYR 33 15.759 -2.140 23.244 218 HA TYR 33 HA TYR 33 13.827 -3.522 22.011 219 1HB TYR 33 2HB TYR 33 13.707 -1.156 22.396 220 2HB TYR 33 1HB TYR 33 15.023 -0.865 21.294 221 HD1 TYR 33 HD1 TYR 33 11.444 -2.181 21.284 222 HD2 TYR 33 HD2 TYR 33 14.698 -0.430 19.079 223 HE1 TYR 33 HE1 TYR 33 9.987 -1.867 19.319 224 HE2 TYR 33 HE2 TYR 33 13.222 -0.124 17.123 225 HH TYR 33 HH TYR 33 10.395 0.109 16.986 226 H SER 34 H SER 34 16.246 -2.012 19.899 227 HA SER 34 HA SER 34 17.197 -2.569 17.913 228 1HB SER 34 2HB SER 34 17.732 -4.660 19.369 229 2HB SER 34 1HB SER 34 16.536 -5.464 18.373 230 HG SER 34 HG SER 34 18.358 -5.704 17.236 231 H MET 35 H MET 35 16.113 -1.828 16.215 232 HA MET 35 HA MET 35 13.449 -2.389 15.471 233 1HB MET 35 2HB MET 35 13.924 -1.255 13.359 234 2HB MET 35 1HB MET 35 14.574 -0.362 14.719 235 1HG MET 35 2HG MET 35 16.749 -0.644 13.992 236 2HG MET 35 1HG MET 35 16.441 -2.256 13.359 237 1HE MET 35 2HE MET 35 17.343 1.169 12.482 238 2HE MET 35 1HE MET 35 18.181 -0.090 11.578 239 3HE MET 35 3HE MET 35 17.187 1.110 10.735 240 H LEU 36 H LEU 36 16.313 -4.237 14.752 241 HA LEU 36 HA LEU 36 15.199 -5.666 12.495 242 1HB LEU 36 2HB LEU 36 17.722 -5.841 14.087 243 2HB LEU 36 1HB LEU 36 17.208 -7.269 13.228 244 HG LEU 36 HG LEU 36 18.742 -6.080 11.854 245 1HD1 LEU 36 3HD1 LEU 36 16.574 -6.982 10.798 246 2HD1 LEU 36 2HD1 LEU 36 16.136 -5.282 10.611 247 3HD1 LEU 36 1HD1 LEU 36 17.601 -5.907 9.846 248 1HD2 LEU 36 3HD2 LEU 36 17.750 -3.762 13.037 249 2HD2 LEU 36 2HD2 LEU 36 18.952 -3.854 11.760 250 3HD2 LEU 36 1HD2 LEU 36 17.253 -3.628 11.350 251 H THR 37 H THR 37 14.753 -6.063 15.953 252 HA THR 37 HA THR 37 13.749 -8.833 15.507 253 HB THR 37 HB THR 37 14.896 -7.599 18.021 254 HG1 THR 37 HG1 THR 37 16.528 -8.125 16.536 255 1HG2 THR 37 2HG2 THR 37 13.815 -10.357 17.454 256 2HG2 THR 37 1HG2 THR 37 14.798 -9.953 18.872 257 3HG2 THR 37 3HG2 THR 37 13.228 -9.181 18.632 258 H ALA 38 H ALA 38 13.282 -5.895 17.468 259 HA ALA 38 HA ALA 38 10.834 -6.517 18.701 260 1HB ALA 38 1HB ALA 38 12.381 -4.755 19.333 261 2HB ALA 38 3HB ALA 38 11.950 -3.844 17.887 262 3HB ALA 38 2HB ALA 38 10.737 -4.130 19.146 263 H LYS 39 H LYS 39 8.686 -6.255 18.162 264 HA LYS 39 HA LYS 39 7.985 -5.202 15.478 265 1HB LYS 39 2HB LYS 39 6.443 -7.011 15.173 266 2HB LYS 39 1HB LYS 39 7.961 -7.703 15.690 267 1HG LYS 39 2HG LYS 39 6.066 -7.121 17.899 268 2HG LYS 39 1HG LYS 39 5.514 -8.315 16.730 269 1HD LYS 39 2HD LYS 39 7.806 -9.428 17.004 270 2HD LYS 39 1HD LYS 39 8.009 -8.405 18.424 271 1HE LYS 39 2HE LYS 39 7.113 -10.476 19.212 272 2HE LYS 39 1HE LYS 39 5.807 -9.308 19.280 273 1HZ LYS 39 1HZ LYS 39 5.993 -10.791 16.776 274 2HZ LYS 39 3HZ LYS 39 5.614 -11.723 18.142 275 3HZ LYS 39 2HZ LYS 39 4.647 -10.387 17.719 276 H ALA 40 H ALA 40 8.059 -3.507 17.585 277 HA ALA 40 HA ALA 40 5.538 -2.232 17.647 278 1HB ALA 40 3HB ALA 40 4.906 -4.134 19.134 279 2HB ALA 40 2HB ALA 40 6.252 -3.725 20.194 280 3HB ALA 40 1HB ALA 40 4.905 -2.599 20.009 281 H LEU 41 H LEU 41 6.437 -0.176 17.664 282 HA LEU 41 HA LEU 41 8.908 0.681 18.408 283 1HB LEU 41 2HB LEU 41 6.286 2.137 18.384 284 2HB LEU 41 1HB LEU 41 7.764 2.981 18.842 285 HG LEU 41 HG LEU 41 7.655 1.352 16.305 286 1HD1 LEU 41 3HD1 LEU 41 5.764 2.985 16.268 287 2HD1 LEU 41 2HD1 LEU 41 6.932 4.285 16.496 288 3HD1 LEU 41 1HD1 LEU 41 6.989 3.294 15.042 289 1HD2 LEU 41 3HD2 LEU 41 9.790 2.400 17.430 290 2HD2 LEU 41 2HD2 LEU 41 9.554 2.561 15.692 291 3HD2 LEU 41 1HD2 LEU 41 9.169 3.911 16.760 292 HA PRO 42 HA PRO 42 9.237 0.458 22.788 293 1HB PRO 42 2HB PRO 42 11.410 2.014 23.211 294 2HB PRO 42 1HB PRO 42 11.465 0.368 22.546 295 1HG PRO 42 2HG PRO 42 11.841 2.953 21.143 296 2HG PRO 42 1HG PRO 42 12.463 1.343 20.739 297 1HD PRO 42 2HD PRO 42 10.267 2.605 19.509 298 2HD PRO 42 1HD PRO 42 10.715 0.902 19.351 299 H THR 43 H THR 43 8.867 1.472 24.699 300 HA THR 43 HA THR 43 7.166 3.745 24.733 301 HB THR 43 HB THR 43 7.487 3.467 27.270 302 HG1 THR 43 HG1 THR 43 9.293 2.355 27.577 303 1HG2 THR 43 2HG2 THR 43 6.468 1.245 25.500 304 2HG2 THR 43 1HG2 THR 43 6.182 1.310 27.241 305 3HG2 THR 43 3HG2 THR 43 5.548 2.579 26.191 306 H THR 44 H THR 44 7.498 5.579 26.181 307 HA THR 44 HA THR 44 9.540 7.279 25.374 308 HB THR 44 HB THR 44 7.431 7.966 26.183 309 HG1 THR 44 HG1 THR 44 9.646 9.046 27.597 310 1HG2 THR 44 1HG2 THR 44 7.157 6.392 28.107 311 2HG2 THR 44 3HG2 THR 44 8.307 7.373 29.019 312 3HG2 THR 44 2HG2 THR 44 6.770 8.061 28.508 313 H ALA 45 H ALA 45 9.624 5.134 28.163 314 HA ALA 45 HA ALA 45 11.849 6.225 29.541 315 1HB ALA 45 1HB ALA 45 10.828 3.369 29.355 316 2HB ALA 45 3HB ALA 45 12.176 3.830 30.390 317 3HB ALA 45 2HB ALA 45 10.580 4.511 30.676 318 H GLN 46 H GLN 46 11.860 3.416 27.275 319 HA GLN 46 HA GLN 46 14.700 3.404 27.016 320 1HB GLN 46 2HB GLN 46 12.638 2.216 25.099 321 2HB GLN 46 1HB GLN 46 14.371 1.894 25.066 322 1HG GLN 46 2HG GLN 46 14.264 0.976 27.353 323 2HG GLN 46 1HG GLN 46 12.535 1.282 27.400 324 1HE2 GLN 46 2HE2 GLN 46 13.922 -2.042 25.516 325 2HE2 GLN 46 1HE2 GLN 46 15.003 -0.938 26.211 326 H TYR 47 H TYR 47 12.168 5.061 25.220 327 HA TYR 47 HA TYR 47 13.679 6.023 23.039 328 1HB TYR 47 2HB TYR 47 11.164 6.837 24.370 329 2HB TYR 47 1HB TYR 47 12.000 8.140 23.555 330 HD1 TYR 47 HD1 TYR 47 13.161 6.173 21.294 331 HD2 TYR 47 HD2 TYR 47 9.272 6.918 22.962 332 HE1 TYR 47 HE1 TYR 47 12.128 5.429 19.188 333 HE2 TYR 47 HE2 TYR 47 8.233 6.172 20.856 334 HH TYR 47 HH TYR 47 9.223 6.092 18.207 335 H LYS 48 H LYS 48 13.310 7.356 26.326 336 HA LYS 48 HA LYS 48 14.802 9.752 25.886 337 1HB LYS 48 2HB LYS 48 14.224 8.175 28.418 338 2HB LYS 48 1HB LYS 48 15.247 9.610 28.427 339 1HG LYS 48 2HG LYS 48 13.452 10.984 27.590 340 2HG LYS 48 1HG LYS 48 12.409 9.578 27.363 341 1HD LYS 48 2HD LYS 48 12.295 9.174 29.736 342 2HD LYS 48 1HD LYS 48 13.540 10.380 30.057 343 1HE LYS 48 2HE LYS 48 12.131 12.183 29.521 344 2HE LYS 48 1HE LYS 48 10.988 11.159 28.660 345 1HZ LYS 48 1HZ LYS 48 11.464 10.985 31.596 346 2HZ LYS 48 3HZ LYS 48 10.265 11.951 30.899 347 3HZ LYS 48 2HZ LYS 48 10.202 10.264 30.710 348 H LEU 49 H LEU 49 15.690 6.565 27.135 349 HA LEU 49 HA LEU 49 18.431 6.934 27.637 350 1HB LEU 49 2HB LEU 49 16.727 4.602 26.876 351 2HB LEU 49 1HB LEU 49 18.468 4.386 26.727 352 HG LEU 49 HG LEU 49 17.109 5.392 29.233 353 1HD1 LEU 49 1HD1 LEU 49 17.964 2.571 28.525 354 2HD1 LEU 49 3HD1 LEU 49 17.409 3.105 30.113 355 3HD1 LEU 49 2HD1 LEU 49 16.302 3.137 28.741 356 1HD2 LEU 49 1HD2 LEU 49 19.905 4.762 28.416 357 2HD2 LEU 49 3HD2 LEU 49 19.315 5.905 29.624 358 3HD2 LEU 49 2HD2 LEU 49 19.421 4.192 30.013 359 H MET 50 H MET 50 16.859 5.935 24.612 360 HA MET 50 HA MET 50 19.110 5.728 22.904 361 1HB MET 50 2HB MET 50 16.167 6.104 22.457 362 2HB MET 50 1HB MET 50 17.266 6.331 21.107 363 1HG MET 50 2HG MET 50 18.211 3.977 22.029 364 2HG MET 50 1HG MET 50 16.536 3.840 22.557 365 1HE MET 50 3HE MET 50 14.541 4.292 21.163 366 2HE MET 50 2HE MET 50 14.406 3.457 19.615 367 3HE MET 50 1HE MET 50 14.946 2.567 21.035 368 H CYS 51 H CYS 51 16.825 8.461 23.323 369 HA CYS 51 HA CYS 51 17.881 10.291 21.503 370 1HB CYS 51 2HB CYS 51 15.764 10.454 23.103 371 2HB CYS 51 1HB CYS 51 16.889 11.300 24.144 372 H ALA 52 H ALA 52 19.094 9.490 24.713 373 HA ALA 52 HA ALA 52 21.169 11.579 24.522 374 1HB ALA 52 3HB ALA 52 20.293 9.855 26.844 375 2HB ALA 52 2HB ALA 52 21.610 11.023 26.893 376 3HB ALA 52 1HB ALA 52 19.963 11.574 26.588 377 H SER 53 H SER 53 21.224 8.715 23.107 378 HA SER 53 HA SER 53 23.933 7.966 24.066 379 1HB SER 53 2HB SER 53 22.247 6.209 24.373 380 2HB SER 53 1HB SER 53 21.824 6.276 22.681 381 HG SER 53 HG SER 53 23.688 4.789 23.840 382 H THR 54 H THR 54 25.577 8.359 22.719 383 HA THR 54 HA THR 54 25.495 9.742 20.320 384 HB THR 54 HB THR 54 27.691 7.748 20.952 385 HG1 THR 54 HG1 THR 54 28.612 9.268 22.313 386 1HG2 THR 54 3HG2 THR 54 27.435 10.148 19.226 387 2HG2 THR 54 2HG2 THR 54 28.964 9.938 20.075 388 3HG2 THR 54 1HG2 THR 54 28.369 8.672 19.002 389 H ALA 55 H ALA 55 25.777 6.239 20.721 390 HA ALA 55 HA ALA 55 26.001 5.296 18.111 391 1HB ALA 55 3HB ALA 55 26.160 3.923 20.151 392 2HB ALA 55 2HB ALA 55 24.410 4.052 20.354 393 3HB ALA 55 1HB ALA 55 25.075 3.223 18.951 394 H CYS 56 H CYS 56 22.974 5.523 19.922 395 HA CYS 56 HA CYS 56 21.204 4.767 17.932 396 1HB CYS 56 2HB CYS 56 20.664 6.662 20.253 397 2HB CYS 56 1HB CYS 56 19.409 5.841 19.324 398 H ASN 57 H ASN 57 22.253 7.984 18.848 399 HA ASN 57 HA ASN 57 20.824 9.611 17.009 400 1HB ASN 57 2HB ASN 57 23.605 10.080 18.096 401 2HB ASN 57 1HB ASN 57 22.537 11.320 17.481 402 1HD2 ASN 57 2HD2 ASN 57 20.573 10.538 20.762 403 2HD2 ASN 57 1HD2 ASN 57 20.145 10.045 19.196 404 H THR 58 H THR 58 23.879 7.862 16.695 405 HA THR 58 HA THR 58 24.703 8.932 14.192 406 HB THR 58 HB THR 58 25.263 6.216 15.450 407 HG1 THR 58 HG1 THR 58 26.823 8.583 15.308 408 1HG2 THR 58 1HG2 THR 58 26.574 7.540 13.073 409 2HG2 THR 58 3HG2 THR 58 27.266 6.180 13.953 410 3HG2 THR 58 2HG2 THR 58 25.740 5.982 13.098 411 H MET 59 H MET 59 22.821 6.052 14.963 412 HA MET 59 HA MET 59 22.272 5.046 12.401 413 1HB MET 59 2HB MET 59 20.116 5.051 14.480 414 2HB MET 59 1HB MET 59 20.436 3.851 13.257 415 1HG MET 59 2HG MET 59 22.468 3.173 14.579 416 2HG MET 59 1HG MET 59 22.025 4.360 15.798 417 1HE MET 59 2HE MET 59 19.432 4.463 16.689 418 2HE MET 59 1HE MET 59 18.608 3.869 15.260 419 3HE MET 59 3HE MET 59 18.410 3.042 16.813 420 H ILE 60 H ILE 60 20.095 7.061 14.337 421 HA ILE 60 HA ILE 60 18.239 7.593 12.275 422 HB ILE 60 HB ILE 60 18.735 9.258 14.735 423 1HG1 ILE 60 2HG1 ILE 60 18.196 6.857 15.208 424 2HG1 ILE 60 1HG1 ILE 60 16.978 7.916 15.823 425 1HG2 ILE 60 2HG2 ILE 60 17.351 10.259 12.807 426 2HG2 ILE 60 1HG2 ILE 60 16.131 9.063 13.223 427 3HG2 ILE 60 3HG2 ILE 60 16.634 10.255 14.422 428 1HD1 ILE 60 2HD1 ILE 60 15.857 7.415 13.443 429 2HD1 ILE 60 1HD1 ILE 60 16.873 5.978 13.572 430 3HD1 ILE 60 3HD1 ILE 60 15.671 6.320 14.812 431 H LYS 61 H LYS 61 20.744 9.784 13.493 432 HA LYS 61 HA LYS 61 20.364 11.949 11.758 433 1HB LYS 61 2HB LYS 61 22.964 10.859 12.864 434 2HB LYS 61 1HB LYS 61 22.861 12.377 11.986 435 1HG LYS 61 2HG LYS 61 20.945 12.079 14.229 436 2HG LYS 61 1HG LYS 61 22.633 12.108 14.691 437 1HD LYS 61 2HD LYS 61 22.254 14.366 14.729 438 2HD LYS 61 1HD LYS 61 22.653 14.226 13.021 439 1HE LYS 61 2HE LYS 61 20.359 14.234 12.380 440 2HE LYS 61 1HE LYS 61 19.822 13.940 14.024 441 1HZ LYS 61 1HZ LYS 61 21.223 16.438 13.179 442 2HZ LYS 61 3HZ LYS 61 19.543 16.253 13.212 443 3HZ LYS 61 2HZ LYS 61 20.431 16.147 14.656 444 H LYS 62 H LYS 62 22.251 9.049 11.159 445 HA LYS 62 HA LYS 62 23.229 9.721 8.549 446 1HB LYS 62 2HB LYS 62 24.033 7.855 10.086 447 2HB LYS 62 1HB LYS 62 22.633 6.926 9.556 448 1HG LYS 62 2HG LYS 62 23.629 7.731 7.143 449 2HG LYS 62 1HG LYS 62 25.115 7.608 8.083 450 1HD LYS 62 2HD LYS 62 25.020 5.419 7.551 451 2HD LYS 62 1HD LYS 62 23.860 5.333 8.873 452 1HE LYS 62 2HE LYS 62 21.997 5.399 7.402 453 2HE LYS 62 1HE LYS 62 22.976 5.949 6.042 454 1HZ LYS 62 1HZ LYS 62 24.205 3.776 6.252 455 2HZ LYS 62 3HZ LYS 62 23.003 3.290 7.336 456 3HZ LYS 62 2HZ LYS 62 22.598 3.641 5.721 457 H ILE 63 H ILE 63 20.465 7.784 9.582 458 HA ILE 63 HA ILE 63 19.316 7.233 7.033 459 HB ILE 63 HB ILE 63 18.036 7.427 9.779 460 1HG1 ILE 63 2HG1 ILE 63 19.835 5.716 9.496 461 2HG1 ILE 63 1HG1 ILE 63 18.265 5.033 9.885 462 1HG2 ILE 63 3HG2 ILE 63 16.880 6.446 7.184 463 2HG2 ILE 63 2HG2 ILE 63 16.320 5.820 8.728 464 3HG2 ILE 63 1HG2 ILE 63 16.161 7.535 8.367 465 1HD1 ILE 63 3HD1 ILE 63 19.263 5.269 7.044 466 2HD1 ILE 63 2HD1 ILE 63 19.635 3.873 8.053 467 3HD1 ILE 63 1HD1 ILE 63 17.957 4.253 7.655 468 H VAL 64 H VAL 64 18.998 10.064 9.129 469 HA VAL 64 HA VAL 64 16.819 11.269 7.669 470 HB VAL 64 HB VAL 64 18.834 12.384 9.674 471 1HG1 VAL 64 2HG1 VAL 64 17.893 14.207 8.266 472 2HG1 VAL 64 1HG1 VAL 64 16.268 13.666 8.677 473 3HG1 VAL 64 3HG1 VAL 64 17.327 14.305 9.931 474 1HG2 VAL 64 1HG2 VAL 64 17.070 10.590 10.322 475 2HG2 VAL 64 3HG2 VAL 64 17.201 12.030 11.327 476 3HG2 VAL 64 2HG2 VAL 64 15.898 11.885 10.146 477 H THR 65 H THR 65 20.281 11.937 7.862 478 HA THR 65 HA THR 65 20.489 13.819 5.762 479 HB THR 65 HB THR 65 22.641 11.792 6.481 480 HG1 THR 65 HG1 THR 65 22.318 12.684 8.400 481 1HG2 THR 65 1HG2 THR 65 22.599 14.474 5.126 482 2HG2 THR 65 3HG2 THR 65 24.057 13.920 5.954 483 3HG2 THR 65 2HG2 THR 65 23.380 12.981 4.628 484 H LEU 66 H LEU 66 20.321 10.313 5.686 485 HA LEU 66 HA LEU 66 21.129 9.724 3.028 486 1HB LEU 66 2HB LEU 66 20.601 8.163 5.079 487 2HB LEU 66 1HB LEU 66 18.962 8.237 4.488 488 HG LEU 66 HG LEU 66 20.272 6.238 3.805 489 1HD1 LEU 66 2HD1 LEU 66 18.413 7.582 2.342 490 2HD1 LEU 66 1HD1 LEU 66 19.734 7.476 1.185 491 3HD1 LEU 66 3HD1 LEU 66 19.075 6.009 1.904 492 1HD2 LEU 66 2HD2 LEU 66 22.408 7.691 3.374 493 2HD2 LEU 66 1HD2 LEU 66 22.082 6.303 2.334 494 3HD2 LEU 66 3HD2 LEU 66 21.707 7.931 1.774 495 H ASN 67 H ASN 67 17.964 10.447 4.447 496 HA ASN 67 HA ASN 67 15.954 11.102 3.626 497 1HB ASN 67 2HB ASN 67 17.706 12.034 1.341 498 2HB ASN 67 1HB ASN 67 15.978 12.354 1.404 499 1HD2 ASN 67 2HD2 ASN 67 18.502 14.607 3.629 500 2HD2 ASN 67 1HD2 ASN 67 19.088 13.395 2.598 501 HA PRO 68 HA PRO 68 15.411 7.204 1.248 502 1HB PRO 68 2HB PRO 68 13.664 6.087 3.000 503 2HB PRO 68 1HB PRO 68 15.431 6.003 3.165 504 1HG PRO 68 2HG PRO 68 13.493 7.594 4.746 505 2HG PRO 68 1HG PRO 68 15.106 7.007 5.188 506 1HD PRO 68 2HD PRO 68 14.453 9.639 4.366 507 2HD PRO 68 1HD PRO 68 16.076 8.957 4.611 508 HA PRO 69 HA PRO 69 11.452 8.253 -0.612 509 1HB PRO 69 2HB PRO 69 10.660 5.854 -1.613 510 2HB PRO 69 1HB PRO 69 12.009 6.785 -2.287 511 1HG PRO 69 2HG PRO 69 12.082 4.306 -0.687 512 2HG PRO 69 1HG PRO 69 13.276 4.952 -1.828 513 1HD PRO 69 2HD PRO 69 13.411 5.077 1.005 514 2HD PRO 69 1HD PRO 69 14.486 5.886 -0.157 515 H ASN 70 H ASN 70 9.237 8.298 -0.176 516 HA ASN 70 HA ASN 70 8.356 7.194 2.347 517 1HB ASN 70 2HB ASN 70 7.632 9.461 1.428 518 2HB ASN 70 1HB ASN 70 6.574 8.572 0.333 519 1HD2 ASN 70 2HD2 ASN 70 5.085 9.327 3.894 520 2HD2 ASN 70 1HD2 ASN 70 6.243 10.281 3.101 521 H CYS 71 H CYS 71 7.883 5.172 2.534 522 HA CYS 71 HA CYS 71 5.716 3.865 1.243 523 1HB CYS 71 2HB CYS 71 6.911 2.108 0.059 524 2HB CYS 71 1HB CYS 71 7.298 3.677 -0.632 525 H ASP 72 H ASP 72 5.279 1.787 2.144 526 HA ASP 72 HA ASP 72 6.210 1.415 4.864 527 1HB ASP 72 2HB ASP 72 4.198 -0.025 3.128 528 2HB ASP 72 1HB ASP 72 4.630 -0.601 4.731 529 H LEU 73 H LEU 73 7.911 0.197 5.507 530 HA LEU 73 HA LEU 73 8.980 -1.862 3.656 531 1HB LEU 73 2HB LEU 73 10.475 0.107 4.432 532 2HB LEU 73 1HB LEU 73 10.350 -0.566 6.038 533 HG LEU 73 HG LEU 73 12.458 -1.112 4.803 534 1HD1 LEU 73 2HD1 LEU 73 11.256 -2.524 6.658 535 2HD1 LEU 73 1HD1 LEU 73 11.107 -3.708 5.361 536 3HD1 LEU 73 3HD1 LEU 73 12.699 -3.125 5.845 537 1HD2 LEU 73 2HD2 LEU 73 11.110 -1.590 2.592 538 2HD2 LEU 73 1HD2 LEU 73 12.531 -2.562 2.974 539 3HD2 LEU 73 3HD2 LEU 73 10.919 -3.204 3.284 540 H THR 74 H THR 74 8.018 -3.744 4.200 541 HA THR 74 HA THR 74 7.111 -4.386 6.887 542 HB THR 74 HB THR 74 6.438 -6.555 5.637 543 HG1 THR 74 HG1 THR 74 7.562 -6.461 3.771 544 1HG2 THR 74 3HG2 THR 74 5.303 -3.857 5.536 545 2HG2 THR 74 2HG2 THR 74 4.754 -4.908 4.235 546 3HG2 THR 74 1HG2 THR 74 4.543 -5.402 5.916 547 H VAL 75 H VAL 75 8.223 -5.506 8.384 548 HA VAL 75 HA VAL 75 10.701 -6.908 7.571 549 HB VAL 75 HB VAL 75 9.900 -5.957 10.327 550 1HG1 VAL 75 3HG1 VAL 75 11.559 -7.807 10.302 551 2HG1 VAL 75 2HG1 VAL 75 12.612 -6.833 9.281 552 3HG1 VAL 75 1HG1 VAL 75 12.243 -6.309 10.923 553 1HG2 VAL 75 2HG2 VAL 75 10.276 -4.166 8.512 554 2HG2 VAL 75 1HG2 VAL 75 11.240 -4.009 9.976 555 3HG2 VAL 75 3HG2 VAL 75 11.957 -4.685 8.514 556 HA PRO 76 HA PRO 76 8.367 -10.655 8.528 557 1HB PRO 76 2HB PRO 76 10.227 -12.416 7.602 558 2HB PRO 76 1HB PRO 76 9.118 -11.520 6.548 559 1HG PRO 76 2HG PRO 76 12.011 -11.066 7.030 560 2HG PRO 76 1HG PRO 76 11.032 -10.731 5.586 561 1HD PRO 76 2HD PRO 76 11.851 -8.802 7.439 562 2HD PRO 76 1HD PRO 76 10.542 -8.617 6.251 563 H THR 77 H THR 77 11.728 -10.108 9.628 564 HA THR 77 HA THR 77 12.007 -12.257 11.448 565 HB THR 77 HB THR 77 13.813 -10.882 12.402 566 HG1 THR 77 HG1 THR 77 13.704 -8.816 12.290 567 1HG2 THR 77 1HG2 THR 77 13.691 -10.797 9.389 568 2HG2 THR 77 3HG2 THR 77 15.154 -10.569 10.348 569 3HG2 THR 77 2HG2 THR 77 14.303 -12.115 10.384 570 H SER 78 H SER 78 10.926 -8.923 11.901 571 HA SER 78 HA SER 78 10.167 -9.370 14.696 572 1HB SER 78 2HB SER 78 9.345 -6.970 14.533 573 2HB SER 78 1HB SER 78 11.049 -7.181 14.217 574 HG SER 78 HG SER 78 10.015 -5.839 12.665 575 H GLY 79 H GLY 79 8.542 -8.703 11.635 576 1HA GLY 79 2HA GLY 79 6.515 -9.738 10.879 577 2HA GLY 79 1HA GLY 79 6.119 -10.113 12.556 578 H LEU 80 H LEU 80 7.204 -6.915 11.519 579 HA LEU 80 HA LEU 80 4.482 -5.802 11.778 580 1HB LEU 80 2HB LEU 80 6.619 -5.526 13.683 581 2HB LEU 80 1HB LEU 80 6.349 -3.972 12.941 582 HG LEU 80 HG LEU 80 5.030 -4.247 14.972 583 1HD1 LEU 80 3HD1 LEU 80 4.137 -2.876 13.098 584 2HD1 LEU 80 2HD1 LEU 80 3.175 -4.270 12.601 585 3HD1 LEU 80 1HD1 LEU 80 2.899 -3.525 14.176 586 1HD2 LEU 80 2HD2 LEU 80 4.696 -6.845 14.394 587 2HD2 LEU 80 1HD2 LEU 80 3.573 -5.957 15.419 588 3HD2 LEU 80 3HD2 LEU 80 3.188 -6.230 13.722 589 H VAL 81 H VAL 81 4.368 -3.573 10.928 590 HA VAL 81 HA VAL 81 5.981 -3.227 8.475 591 HB VAL 81 HB VAL 81 3.387 -1.951 9.418 592 1HG1 VAL 81 1HG1 VAL 81 5.031 -1.518 6.947 593 2HG1 VAL 81 3HG1 VAL 81 3.283 -1.292 6.909 594 3HG1 VAL 81 2HG1 VAL 81 4.267 -0.336 8.006 595 1HG2 VAL 81 2HG2 VAL 81 3.469 -4.463 8.620 596 2HG2 VAL 81 1HG2 VAL 81 2.221 -3.387 7.989 597 3HG2 VAL 81 3HG2 VAL 81 3.646 -3.743 7.020 598 H LEU 82 H LEU 82 7.481 -1.598 8.354 599 HA LEU 82 HA LEU 82 7.337 0.710 10.188 600 1HB LEU 82 2HB LEU 82 8.923 -0.802 11.279 601 2HB LEU 82 1HB LEU 82 9.807 -1.025 9.784 602 HG LEU 82 HG LEU 82 10.293 1.510 9.879 603 1HD1 LEU 82 2HD1 LEU 82 9.314 1.110 12.717 604 2HD1 LEU 82 1HD1 LEU 82 10.194 2.516 12.126 605 3HD1 LEU 82 3HD1 LEU 82 8.585 2.161 11.502 606 1HD2 LEU 82 2HD2 LEU 82 11.838 -0.443 10.622 607 2HD2 LEU 82 1HD2 LEU 82 12.214 1.186 11.193 608 3HD2 LEU 82 3HD2 LEU 82 11.413 0.038 12.263 609 H ASN 83 H ASN 83 7.242 2.452 8.896 610 HA ASN 83 HA ASN 83 8.472 2.326 6.236 611 1HB ASN 83 2HB ASN 83 7.382 4.894 6.385 612 2HB ASN 83 1HB ASN 83 6.681 3.519 5.598 613 1HD2 ASN 83 2HD2 ASN 83 4.302 5.281 8.011 614 2HD2 ASN 83 1HD2 ASN 83 5.367 5.918 6.852 615 H VAL 84 H VAL 84 10.510 2.823 6.155 616 HA VAL 84 HA VAL 84 11.972 4.101 8.187 617 HB VAL 84 HB VAL 84 12.827 3.730 5.292 618 1HG1 VAL 84 3HG1 VAL 84 14.230 4.580 7.788 619 2HG1 VAL 84 2HG1 VAL 84 15.101 3.484 6.719 620 3HG1 VAL 84 1HG1 VAL 84 14.537 5.043 6.119 621 1HG2 VAL 84 3HG2 VAL 84 12.077 1.627 6.530 622 2HG2 VAL 84 2HG2 VAL 84 13.754 1.611 6.009 623 3HG2 VAL 84 1HG2 VAL 84 13.361 1.945 7.692 624 H TYR 85 H TYR 85 10.352 5.570 5.450 625 HA TYR 85 HA TYR 85 11.627 8.109 5.356 626 1HB TYR 85 2HB TYR 85 9.872 7.298 3.711 627 2HB TYR 85 1HB TYR 85 8.668 7.505 4.964 628 HD1 TYR 85 HD2 TYR 85 11.077 9.270 2.805 629 HD2 TYR 85 HD1 TYR 85 7.823 9.712 5.570 630 HE1 TYR 85 HE2 TYR 85 10.883 11.665 2.188 631 HE2 TYR 85 HE1 TYR 85 7.629 12.109 4.956 632 HH TYR 85 HH TYR 85 8.443 13.468 2.531 633 H SER 86 H SER 86 8.632 7.085 7.002 634 HA SER 86 HA SER 86 8.411 9.412 8.650 635 1HB SER 86 2HB SER 86 6.444 7.970 8.099 636 2HB SER 86 1HB SER 86 7.112 6.692 9.100 637 HG SER 86 HG SER 86 6.685 7.932 10.885 638 H TYR 87 H TYR 87 10.091 6.395 9.145 639 HA TYR 87 HA TYR 87 10.572 6.406 11.901 640 1HB TYR 87 2HB TYR 87 11.252 4.637 10.291 641 2HB TYR 87 1HB TYR 87 12.427 5.717 9.625 642 HD1 TYR 87 HD1 TYR 87 11.571 4.983 13.209 643 HD2 TYR 87 HD2 TYR 87 14.475 4.924 10.057 644 HE1 TYR 87 HE1 TYR 87 13.312 4.238 14.839 645 HE2 TYR 87 HE2 TYR 87 16.231 4.177 11.675 646 HH TYR 87 HH TYR 87 15.856 2.794 14.249 647 H ALA 88 H ALA 88 12.672 7.716 9.374 648 HA ALA 88 HA ALA 88 14.572 9.061 10.946 649 1HB ALA 88 2HB ALA 88 14.027 8.594 8.253 650 2HB ALA 88 1HB ALA 88 14.098 10.349 8.389 651 3HB ALA 88 3HB ALA 88 15.467 9.365 8.922 652 H ASN 89 H ASN 89 11.819 10.494 9.258 653 HA ASN 89 HA ASN 89 12.036 13.153 10.161 654 1HB ASN 89 2HB ASN 89 9.997 11.493 8.849 655 2HB ASN 89 1HB ASN 89 9.336 12.853 9.739 656 1HD2 ASN 89 2HD2 ASN 89 11.754 13.619 6.503 657 2HD2 ASN 89 1HD2 ASN 89 11.919 12.123 7.287 658 H GLY 90 H GLY 90 10.214 10.495 11.647 659 1HA GLY 90 2HA GLY 90 8.942 12.020 13.696 660 2HA GLY 90 1HA GLY 90 9.045 10.281 13.587 661 H PHE 91 H PHE 91 11.791 9.837 13.900 662 HA PHE 91 HA PHE 91 12.200 9.793 16.605 663 1HB PHE 91 2HB PHE 91 13.572 8.801 14.581 664 2HB PHE 91 1HB PHE 91 14.680 10.108 14.992 665 HD1 PHE 91 HD1 PHE 91 15.697 10.184 17.282 666 HD2 PHE 91 HD2 PHE 91 13.270 6.887 15.984 667 HE1 PHE 91 HE1 PHE 91 16.551 8.793 19.152 668 HE2 PHE 91 HE2 PHE 91 14.129 5.512 17.853 669 HZ PHE 91 HZ PHE 91 15.776 6.471 19.444 670 H SER 92 H SER 92 13.399 12.332 14.479 671 HA SER 92 HA SER 92 14.761 13.842 16.509 672 1HB SER 92 2HB SER 92 15.409 15.251 14.796 673 2HB SER 92 1HB SER 92 14.920 13.897 13.827 674 HG SER 92 HG SER 92 13.339 15.146 13.055 675 H ASN 93 H ASN 93 11.610 14.429 14.938 676 HA ASN 93 HA ASN 93 10.763 16.700 16.307 677 1HB ASN 93 2HB ASN 93 9.573 15.168 14.441 678 2HB ASN 93 1HB ASN 93 8.714 14.556 15.838 679 1HD2 ASN 93 2HD2 ASN 93 7.322 17.887 16.582 680 2HD2 ASN 93 1HD2 ASN 93 8.058 16.639 17.458 681 H LYS 94 H LYS 94 10.146 13.314 17.195 682 HA LYS 94 HA LYS 94 8.935 14.036 19.692 683 1HB LYS 94 2HB LYS 94 8.860 11.756 20.332 684 2HB LYS 94 1HB LYS 94 8.458 11.779 18.638 685 1HG LYS 94 2HG LYS 94 9.907 9.969 18.793 686 2HG LYS 94 1HG LYS 94 10.997 11.255 18.285 687 1HD LYS 94 2HD LYS 94 12.071 11.346 20.341 688 2HD LYS 94 1HD LYS 94 10.629 10.891 21.230 689 1HE LYS 94 2HE LYS 94 12.088 9.085 21.458 690 2HE LYS 94 1HE LYS 94 10.967 8.550 20.197 691 1HZ LYS 94 2HZ LYS 94 12.701 9.516 18.590 692 2HZ LYS 94 1HZ LYS 94 13.759 9.507 19.925 693 3HZ LYS 94 3HZ LYS 94 13.067 8.061 19.385 694 H CYS 95 H CYS 95 12.277 13.392 18.791 695 HA CYS 95 HA CYS 95 13.260 13.145 21.472 696 1HB CYS 95 2HB CYS 95 14.507 13.398 18.823 697 2HB CYS 95 1HB CYS 95 15.370 14.305 20.057 698 H SER 96 H SER 96 12.456 15.930 19.478 699 HA SER 96 HA SER 96 13.738 17.904 21.148 700 1HB SER 96 2HB SER 96 13.148 18.340 18.761 701 2HB SER 96 1HB SER 96 11.444 18.199 19.168 702 HG SER 96 HG SER 96 11.725 20.324 19.434 703 H SER 97 H SER 97 10.448 16.628 20.875 704 HA SER 97 HA SER 97 9.405 18.194 23.085 705 1HB SER 97 2HB SER 97 8.164 17.220 21.047 706 2HB SER 97 1HB SER 97 8.166 15.700 21.923 707 HG SER 97 HG SER 97 6.295 17.233 22.133 708 H LEU 98 HN LEU 98 11.087 15.110 22.868 709 HA LEU 98 HA LEU 98 10.254 14.302 25.570 710 1HB LEU 98 2HB LEU 98 10.080 12.606 23.849 711 2HB LEU 98 1HB LEU 98 11.740 12.872 23.364 712 HG LEU 98 HG LEU 98 12.325 12.224 25.805 713 1HD1 LEU 98 2HD1 LEU 98 9.537 11.062 25.580 714 2HD1 LEU 98 1HD1 LEU 98 10.743 10.552 26.762 715 3HD1 LEU 98 3HD1 LEU 98 10.122 12.199 26.794 716 1HD2 LEU 98 2HD2 LEU 98 12.882 10.876 23.834 717 2HD2 LEU 98 1HD2 LEU 98 12.428 9.856 25.197 718 3HD2 LEU 98 3HD2 LEU 98 11.285 10.126 23.882 No H/Q in entry = 718 Start of MODEL 13 1 1H THR 1 3H THR 1 1.718 3.934 3.607 2 2H THR 1 2H THR 1 0.231 4.365 2.919 3 3H THR 1 1H THR 1 0.663 2.730 3.053 4 HA THR 1 HA THR 1 0.917 3.385 0.803 5 HB THR 1 HB THR 1 2.767 5.535 1.869 6 HG1 THR 1 HG1 THR 1 0.228 6.007 0.690 7 1HG2 THR 1 2HG2 THR 1 2.042 4.694 -0.912 8 2HG2 THR 1 1HG2 THR 1 2.310 6.408 -0.587 9 3HG2 THR 1 3HG2 THR 1 3.583 5.241 -0.252 10 H ALA 2 H ALA 2 1.731 1.265 0.964 11 HA ALA 2 HA ALA 2 4.298 0.521 1.982 12 1HB ALA 2 3HB ALA 2 2.326 -1.008 1.715 13 2HB ALA 2 2HB ALA 2 2.621 -1.000 -0.023 14 3HB ALA 2 1HB ALA 2 3.835 -1.657 1.074 15 H CYS 3 H CYS 3 6.219 -0.021 0.931 16 HA CYS 3 HA CYS 3 6.882 1.531 -1.417 17 1HB CYS 3 2HB CYS 3 8.591 -0.716 -0.326 18 2HB CYS 3 1HB CYS 3 9.106 0.606 -1.312 19 H THR 4 H THR 4 7.721 0.705 -3.427 20 HA THR 4 HA THR 4 6.320 -1.703 -4.382 21 HB THR 4 HB THR 4 7.431 0.631 -5.989 22 HG1 THR 4 HG1 THR 4 4.723 0.052 -5.337 23 1HG2 THR 4 2HG2 THR 4 5.742 -1.725 -6.805 24 2HG2 THR 4 1HG2 THR 4 5.954 -0.282 -7.794 25 3HG2 THR 4 3HG2 THR 4 7.343 -1.296 -7.399 26 H ALA 5 H ALA 5 9.091 -0.583 -6.239 27 HA ALA 5 HA ALA 5 10.633 -2.980 -5.382 28 1HB ALA 5 1HB ALA 5 10.316 -1.758 -8.143 29 2HB ALA 5 3HB ALA 5 11.517 -2.989 -7.755 30 3HB ALA 5 2HB ALA 5 9.801 -3.362 -7.624 31 H THR 6 H THR 6 11.137 0.090 -7.166 32 HA THR 6 HA THR 6 13.862 0.338 -6.486 33 HB THR 6 HB THR 6 12.828 1.453 -8.396 34 HG1 THR 6 HG1 THR 6 13.955 3.443 -6.748 35 1HG2 THR 6 1HG2 THR 6 10.688 2.186 -7.387 36 2HG2 THR 6 3HG2 THR 6 11.548 3.435 -6.489 37 3HG2 THR 6 2HG2 THR 6 11.503 3.480 -8.250 38 H GLN 7 H GLN 7 10.979 1.369 -4.798 39 HA GLN 7 HA GLN 7 12.131 2.994 -2.741 40 1HB GLN 7 2HB GLN 7 9.588 1.422 -3.011 41 2HB GLN 7 1HB GLN 7 9.946 2.308 -1.548 42 1HG GLN 7 2HG GLN 7 9.100 4.162 -2.524 43 2HG GLN 7 1HG GLN 7 10.407 4.110 -3.711 44 1HE2 GLN 7 2HE2 GLN 7 6.716 2.727 -4.788 45 2HE2 GLN 7 1HE2 GLN 7 7.010 3.105 -3.159 46 H GLN 8 H GLN 8 11.158 -0.401 -2.845 47 HA GLN 8 HA GLN 8 11.956 -1.102 -0.203 48 1HB GLN 8 2HB GLN 8 10.324 -2.400 -1.720 49 2HB GLN 8 1HB GLN 8 11.754 -3.101 -2.471 50 1HG GLN 8 2HG GLN 8 12.467 -4.069 -0.414 51 2HG GLN 8 1HG GLN 8 11.261 -3.183 0.517 52 1HE2 GLN 8 2HE2 GLN 8 10.220 -6.725 -1.102 53 2HE2 GLN 8 1HE2 GLN 8 11.830 -6.197 -1.103 54 H THR 9 H THR 9 13.698 -1.334 -3.278 55 HA THR 9 HA THR 9 15.980 -2.696 -2.231 56 HB THR 9 HB THR 9 17.138 -1.554 -4.186 57 HG1 THR 9 HG1 THR 9 14.560 -1.139 -5.227 58 1HG2 THR 9 3HG2 THR 9 14.907 -3.531 -4.650 59 2HG2 THR 9 2HG2 THR 9 16.201 -3.193 -5.802 60 3HG2 THR 9 1HG2 THR 9 16.586 -3.878 -4.228 61 H ALA 10 H ALA 10 15.109 0.751 -2.475 62 HA ALA 10 HA ALA 10 17.644 1.807 -1.663 63 1HB ALA 10 1HB ALA 10 14.816 2.916 -1.478 64 2HB ALA 10 3HB ALA 10 16.226 3.822 -0.933 65 3HB ALA 10 2HB ALA 10 16.066 3.372 -2.629 66 H ALA 11 H ALA 11 14.649 1.154 0.119 67 HA ALA 11 HA ALA 11 15.542 1.684 2.751 68 1HB ALA 11 2HB ALA 11 13.140 1.051 1.731 69 2HB ALA 11 1HB ALA 11 13.582 -0.548 2.309 70 3HB ALA 11 3HB ALA 11 13.498 0.805 3.436 71 H TYR 12 H TYR 12 15.742 -1.243 0.811 72 HA TYR 12 HA TYR 12 16.759 -3.064 2.752 73 1HB TYR 12 2HB TYR 12 16.326 -2.993 -0.142 74 2HB TYR 12 1HB TYR 12 17.785 -3.869 0.263 75 HD1 TYR 12 HD2 TYR 12 14.219 -3.566 1.425 76 HD2 TYR 12 HD1 TYR 12 17.576 -6.148 0.666 77 HE1 TYR 12 HE2 TYR 12 12.824 -5.537 2.006 78 HE2 TYR 12 HE1 TYR 12 16.177 -8.110 1.248 79 HH TYR 12 HH TYR 12 13.553 -8.068 2.935 80 H LYS 13 H LYS 13 18.591 -1.454 0.080 81 HA LYS 13 HA LYS 13 21.177 -2.092 0.737 82 1HB LYS 13 2HB LYS 13 20.429 -0.784 -1.229 83 2HB LYS 13 1HB LYS 13 20.196 0.620 -0.206 84 1HG LYS 13 2HG LYS 13 22.770 0.127 0.385 85 2HG LYS 13 1HG LYS 13 22.728 -0.639 -1.197 86 1HD LYS 13 2HD LYS 13 23.311 1.537 -1.760 87 2HD LYS 13 1HD LYS 13 21.567 1.599 -1.957 88 1HE LYS 13 2HE LYS 13 21.877 3.485 -0.663 89 2HE LYS 13 1HE LYS 13 21.639 2.299 0.611 90 1HZ LYS 13 2HZ LYS 13 24.332 3.003 -0.441 91 2HZ LYS 13 1HZ LYS 13 23.625 3.809 0.864 92 3HZ LYS 13 3HZ LYS 13 23.958 2.160 0.983 93 H THR 14 H THR 14 19.397 0.737 2.135 94 HA THR 14 HA THR 14 21.512 1.490 3.900 95 HB THR 14 HB THR 14 18.627 2.066 4.545 96 HG1 THR 14 HG1 THR 14 20.043 3.607 2.620 97 1HG2 THR 14 3HG2 THR 14 21.215 3.556 4.908 98 2HG2 THR 14 2HG2 THR 14 19.629 4.280 5.164 99 3HG2 THR 14 1HG2 THR 14 20.132 2.905 6.135 100 H LEU 15 H LEU 15 18.428 -0.125 4.760 101 HA LEU 15 HA LEU 15 18.980 -0.778 7.419 102 1HB LEU 15 2HB LEU 15 16.771 -0.908 6.294 103 2HB LEU 15 1HB LEU 15 17.294 -2.336 5.437 104 HG LEU 15 HG LEU 15 17.785 -2.967 8.128 105 1HD1 LEU 15 2HD1 LEU 15 15.183 -1.450 7.822 106 2HD1 LEU 15 1HD1 LEU 15 15.590 -2.476 9.194 107 3HD1 LEU 15 3HD1 LEU 15 16.521 -1.010 8.881 108 1HD2 LEU 15 1HD2 LEU 15 16.769 -4.352 6.239 109 2HD2 LEU 15 3HD2 LEU 15 16.004 -4.563 7.813 110 3HD2 LEU 15 2HD2 LEU 15 15.236 -3.557 6.587 111 H VAL 16 H VAL 16 19.225 -3.090 4.730 112 HA VAL 16 HA VAL 16 20.451 -5.223 6.011 113 HB VAL 16 HB VAL 16 20.876 -4.404 3.111 114 1HG1 VAL 16 3HG1 VAL 16 22.433 -6.149 3.914 115 2HG1 VAL 16 2HG1 VAL 16 21.052 -7.130 4.403 116 3HG1 VAL 16 1HG1 VAL 16 21.308 -6.748 2.695 117 1HG2 VAL 16 3HG2 VAL 16 18.721 -6.123 4.389 118 2HG2 VAL 16 2HG2 VAL 16 18.497 -4.636 3.468 119 3HG2 VAL 16 1HG2 VAL 16 19.057 -6.093 2.658 120 H SER 17 H SER 17 22.056 -2.360 4.564 121 HA SER 17 HA SER 17 24.742 -3.284 4.835 122 1HB SER 17 2HB SER 17 23.499 -0.561 4.498 123 2HB SER 17 1HB SER 17 25.097 -0.612 5.202 124 HG SER 17 HG SER 17 25.883 -1.444 3.340 125 H ILE 18 H ILE 18 22.475 -1.721 7.036 126 HA ILE 18 HA ILE 18 24.427 -1.656 9.240 127 HB ILE 18 HB ILE 18 22.283 -0.090 8.380 128 1HG1 ILE 18 2HG1 ILE 18 24.327 0.670 9.443 129 2HG1 ILE 18 1HG1 ILE 18 22.897 1.431 10.116 130 1HG2 ILE 18 1HG2 ILE 18 20.796 -1.671 9.816 131 2HG2 ILE 18 3HG2 ILE 18 21.386 -0.659 11.137 132 3HG2 ILE 18 2HG2 ILE 18 20.549 0.068 9.772 133 1HD1 ILE 18 3HD1 ILE 18 23.102 -0.462 11.947 134 2HD1 ILE 18 2HD1 ILE 18 24.759 -0.579 11.352 135 3HD1 ILE 18 1HD1 ILE 18 24.169 0.942 12.007 136 H LEU 19 H LEU 19 22.637 -2.420 11.436 137 HA LEU 19 HA LEU 19 21.772 -4.143 12.570 138 1HB LEU 19 2HB LEU 19 21.703 -6.000 10.196 139 2HB LEU 19 1HB LEU 19 20.708 -6.010 11.630 140 HG LEU 19 HG LEU 19 20.537 -4.013 9.338 141 1HD1 LEU 19 1HD1 LEU 19 18.687 -6.238 10.187 142 2HD1 LEU 19 3HD1 LEU 19 18.369 -5.062 8.912 143 3HD1 LEU 19 2HD1 LEU 19 19.694 -6.209 8.738 144 1HD2 LEU 19 3HD2 LEU 19 19.937 -3.041 11.582 145 2HD2 LEU 19 2HD2 LEU 19 18.554 -3.148 10.489 146 3HD2 LEU 19 1HD2 LEU 19 18.752 -4.335 11.781 147 H SER 20 H SER 20 24.108 -5.349 10.150 148 HA SER 20 HA SER 20 25.373 -7.141 12.126 149 1HB SER 20 2HB SER 20 24.858 -7.708 9.685 150 2HB SER 20 1HB SER 20 26.128 -6.588 9.243 151 HG SER 20 HG SER 20 27.599 -7.998 10.022 152 H ASP 21 H ASP 21 25.534 -4.108 12.387 153 HA ASP 21 HA ASP 21 28.464 -3.636 12.278 154 1HB ASP 21 2HB ASP 21 26.969 -2.306 10.790 155 2HB ASP 21 1HB ASP 21 26.160 -1.692 12.219 156 H ALA 22 H ALA 22 29.331 -2.370 14.030 157 HA ALA 22 HA ALA 22 28.342 -3.003 16.645 158 1HB ALA 22 3HB ALA 22 30.804 -2.269 15.660 159 2HB ALA 22 2HB ALA 22 30.315 -0.810 16.514 160 3HB ALA 22 1HB ALA 22 30.388 -2.346 17.368 161 H SER 23 H SER 23 27.266 -0.485 14.538 162 HA SER 23 HA SER 23 26.788 1.526 16.546 163 1HB SER 23 2HB SER 23 27.002 2.020 14.049 164 2HB SER 23 1HB SER 23 25.413 1.309 13.846 165 HG SER 23 HG SER 23 24.774 3.287 14.316 166 H PHE 24 H PHE 24 24.557 -0.658 14.748 167 HA PHE 24 HA PHE 24 22.276 -0.015 16.328 168 1HB PHE 24 2HB PHE 24 22.549 -1.317 14.004 169 2HB PHE 24 1HB PHE 24 22.455 -2.729 15.037 170 HD1 PHE 24 HD2 PHE 24 20.429 -2.889 16.661 171 HD2 PHE 24 HD1 PHE 24 20.614 -0.141 13.354 172 HE1 PHE 24 HE2 PHE 24 17.964 -2.628 16.727 173 HE2 PHE 24 HE1 PHE 24 18.148 0.112 13.429 174 HZ PHE 24 HZ PHE 24 16.829 -1.132 15.115 175 H ASN 25 H ASN 25 24.642 -2.642 16.737 176 HA ASN 25 HA ASN 25 23.408 -3.996 18.875 177 1HB ASN 25 2HB ASN 25 25.876 -4.224 17.586 178 2HB ASN 25 1HB ASN 25 26.312 -3.818 19.228 179 1HD2 ASN 25 2HD2 ASN 25 25.539 -7.066 20.431 180 2HD2 ASN 25 1HD2 ASN 25 26.273 -5.571 20.758 181 H GLN 26 H GLN 26 25.689 -1.282 19.001 182 HA GLN 26 HA GLN 26 25.781 -1.076 21.818 183 1HB GLN 26 2HB GLN 26 26.224 1.124 19.798 184 2HB GLN 26 1HB GLN 26 26.591 1.272 21.513 185 1HG GLN 26 2HG GLN 26 27.767 -0.888 19.781 186 2HG GLN 26 1HG GLN 26 28.510 0.703 19.911 187 1HE2 GLN 26 2HE2 GLN 26 30.177 -0.299 22.877 188 2HE2 GLN 26 1HE2 GLN 26 30.209 0.671 21.486 189 H CYS 27 H CYS 27 23.678 0.611 19.527 190 HA CYS 27 HA CYS 27 22.317 2.359 21.277 191 1HB CYS 27 2HB CYS 27 22.076 2.306 18.774 192 2HB CYS 27 1HB CYS 27 21.110 0.869 18.930 193 H SER 28 H SER 28 21.202 -0.812 20.197 194 HA SER 28 HA SER 28 18.983 -1.100 21.883 195 1HB SER 28 2HB SER 28 19.599 -2.544 19.891 196 2HB SER 28 1HB SER 28 20.705 -3.405 20.926 197 HG SER 28 HG SER 28 17.968 -3.058 21.664 198 H THR 29 H THR 29 22.284 -2.254 22.550 199 HA THR 29 HA THR 29 21.816 -3.440 25.051 200 HB THR 29 HB THR 29 24.285 -2.179 23.872 201 HG1 THR 29 HG1 THR 29 23.417 -4.866 24.183 202 1HG2 THR 29 2HG2 THR 29 24.049 -3.799 26.426 203 2HG2 THR 29 1HG2 THR 29 25.566 -3.534 25.565 204 3HG2 THR 29 3HG2 THR 29 24.688 -2.168 26.251 205 H ASP 30 H ASP 30 23.093 -0.169 24.560 206 HA ASP 30 HA ASP 30 23.137 0.678 27.213 207 1HB ASP 30 2HB ASP 30 22.673 2.295 24.719 208 2HB ASP 30 1HB ASP 30 22.747 3.027 26.302 209 H SER 31 H SER 31 20.443 1.286 24.989 210 HA SER 31 HA SER 31 18.265 0.629 26.387 211 1HB SER 31 2HB SER 31 17.504 2.855 27.540 212 2HB SER 31 1HB SER 31 18.675 1.883 28.378 213 HG SER 31 HG SER 31 19.978 3.540 28.256 214 H GLY 32 H GLY 32 18.286 0.442 24.023 215 1HA GLY 32 2HA GLY 32 16.959 2.781 22.816 216 2HA GLY 32 1HA GLY 32 18.193 1.902 21.903 217 H TYR 33 H TYR 33 17.673 0.035 20.945 218 HA TYR 33 HA TYR 33 15.517 -1.705 21.564 219 1HB TYR 33 2HB TYR 33 14.173 0.158 21.072 220 2HB TYR 33 1HB TYR 33 14.949 0.441 19.531 221 HD1 TYR 33 HD1 TYR 33 13.015 -2.288 21.356 222 HD2 TYR 33 HD2 TYR 33 13.886 -0.303 17.635 223 HE1 TYR 33 HE1 TYR 33 11.336 -3.670 20.208 224 HE2 TYR 33 HE2 TYR 33 12.199 -1.691 16.498 225 HH TYR 33 HH TYR 33 10.281 -4.129 18.193 226 H SER 34 H SER 34 15.229 -3.423 20.113 227 HA SER 34 HA SER 34 17.297 -3.790 18.021 228 1HB SER 34 2HB SER 34 17.499 -5.058 20.244 229 2HB SER 34 1HB SER 34 16.074 -5.943 19.750 230 HG SER 34 HG SER 34 18.390 -6.648 19.153 231 H MET 35 H MET 35 15.372 -2.748 16.741 232 HA MET 35 HA MET 35 12.939 -3.924 16.176 233 1HB MET 35 2HB MET 35 12.881 -2.776 14.075 234 2HB MET 35 1HB MET 35 13.712 -1.755 15.223 235 1HG MET 35 2HG MET 35 15.881 -2.813 14.183 236 2HG MET 35 1HG MET 35 14.806 -3.242 12.851 237 1HE MET 35 1HE MET 35 13.422 -1.541 11.421 238 2HE MET 35 3HE MET 35 14.357 -0.131 10.888 239 3HE MET 35 2HE MET 35 15.062 -1.736 10.819 240 H LEU 36 H LEU 36 16.011 -4.988 14.897 241 HA LEU 36 HA LEU 36 15.140 -6.790 12.920 242 1HB LEU 36 2HB LEU 36 17.413 -7.750 13.060 243 2HB LEU 36 1HB LEU 36 17.413 -6.012 12.937 244 HG LEU 36 HG LEU 36 17.424 -6.760 15.729 245 1HD1 LEU 36 3HD1 LEU 36 19.588 -8.041 14.050 246 2HD1 LEU 36 2HD1 LEU 36 19.603 -7.912 15.805 247 3HD1 LEU 36 1HD1 LEU 36 18.370 -8.885 15.005 248 1HD2 LEU 36 2HD2 LEU 36 18.379 -4.666 14.430 249 2HD2 LEU 36 1HD2 LEU 36 19.225 -5.269 15.853 250 3HD2 LEU 36 3HD2 LEU 36 19.814 -5.671 14.243 251 H THR 37 H THR 37 15.603 -7.355 16.419 252 HA THR 37 HA THR 37 14.420 -10.044 16.029 253 HB THR 37 HB THR 37 16.880 -9.970 16.578 254 HG1 THR 37 HG1 THR 37 16.476 -11.853 17.296 255 1HG2 THR 37 1HG2 THR 37 16.481 -8.068 18.357 256 2HG2 THR 37 3HG2 THR 37 16.213 -9.431 19.445 257 3HG2 THR 37 2HG2 THR 37 17.743 -9.274 18.586 258 H ALA 38 H ALA 38 12.987 -7.554 16.472 259 HA ALA 38 HA ALA 38 11.435 -8.324 18.847 260 1HB ALA 38 3HB ALA 38 13.065 -6.620 19.587 261 2HB ALA 38 2HB ALA 38 12.437 -5.503 18.378 262 3HB ALA 38 1HB ALA 38 11.402 -6.049 19.704 263 H LYS 39 H LYS 39 9.369 -8.347 18.413 264 HA LYS 39 HA LYS 39 8.289 -7.075 15.974 265 1HB LYS 39 2HB LYS 39 7.256 -9.372 17.660 266 2HB LYS 39 1HB LYS 39 6.462 -8.733 16.234 267 1HG LYS 39 2HG LYS 39 7.631 -10.510 15.326 268 2HG LYS 39 1HG LYS 39 8.758 -9.200 15.059 269 1HD LYS 39 2HD LYS 39 10.330 -10.256 16.276 270 2HD LYS 39 1HD LYS 39 9.263 -10.324 17.663 271 1HE LYS 39 2HE LYS 39 9.448 -12.566 17.370 272 2HE LYS 39 1HE LYS 39 8.189 -12.324 16.170 273 1HZ LYS 39 3HZ LYS 39 11.125 -12.374 15.621 274 2HZ LYS 39 2HZ LYS 39 10.026 -13.620 15.305 275 3HZ LYS 39 1HZ LYS 39 9.906 -12.151 14.460 276 H ALA 40 H ALA 40 8.575 -5.204 17.788 277 HA ALA 40 HA ALA 40 6.123 -3.913 18.174 278 1HB ALA 40 1HB ALA 40 7.249 -5.175 20.698 279 2HB ALA 40 3HB ALA 40 6.040 -3.889 20.679 280 3HB ALA 40 2HB ALA 40 5.654 -5.470 19.995 281 H LEU 41 H LEU 41 6.830 -1.861 17.944 282 HA LEU 41 HA LEU 41 9.465 -0.942 18.098 283 1HB LEU 41 2HB LEU 41 6.857 0.570 18.216 284 2HB LEU 41 1HB LEU 41 8.403 1.384 18.217 285 HG LEU 41 HG LEU 41 7.320 -0.433 16.037 286 1HD1 LEU 41 2HD1 LEU 41 7.818 2.554 16.146 287 2HD1 LEU 41 1HD1 LEU 41 7.354 1.663 14.701 288 3HD1 LEU 41 3HD1 LEU 41 6.256 1.746 16.073 289 1HD2 LEU 41 3HD2 LEU 41 9.996 0.964 16.359 290 2HD2 LEU 41 2HD2 LEU 41 9.689 -0.727 15.960 291 3HD2 LEU 41 1HD2 LEU 41 9.359 0.526 14.773 292 HA PRO 42 HA PRO 42 10.373 -0.033 22.283 293 1HB PRO 42 2HB PRO 42 11.824 2.266 22.200 294 2HB PRO 42 1HB PRO 42 12.437 0.679 21.692 295 1HG PRO 42 2HG PRO 42 11.529 2.954 20.007 296 2HG PRO 42 1HG PRO 42 12.779 1.741 19.683 297 1HD PRO 42 2HD PRO 42 10.233 1.668 18.590 298 2HD PRO 42 1HD PRO 42 11.296 0.261 18.730 299 H THR 43 H THR 43 10.027 1.217 24.086 300 HA THR 43 HA THR 43 7.570 2.747 24.181 301 HB THR 43 HB THR 43 8.091 2.658 26.662 302 HG1 THR 43 HG1 THR 43 9.941 1.908 27.257 303 1HG2 THR 43 3HG2 THR 43 7.865 0.097 25.072 304 2HG2 THR 43 2HG2 THR 43 7.546 0.233 26.802 305 3HG2 THR 43 1HG2 THR 43 6.553 1.121 25.648 306 H THR 44 H THR 44 7.439 4.708 25.475 307 HA THR 44 HA THR 44 9.030 6.815 24.531 308 HB THR 44 HB THR 44 6.724 7.049 25.231 309 HG1 THR 44 HG1 THR 44 8.497 8.808 26.561 310 1HG2 THR 44 1HG2 THR 44 7.319 5.761 27.569 311 2HG2 THR 44 3HG2 THR 44 7.240 7.444 28.097 312 3HG2 THR 44 2HG2 THR 44 5.867 6.707 27.277 313 H ALA 45 H ALA 45 9.455 5.012 27.521 314 HA ALA 45 HA ALA 45 11.346 6.732 28.796 315 1HB ALA 45 2HB ALA 45 10.911 3.722 29.023 316 2HB ALA 45 1HB ALA 45 12.036 4.611 30.035 317 3HB ALA 45 3HB ALA 45 10.313 4.959 30.125 318 H GLN 46 H GLN 46 11.804 3.811 26.772 319 HA GLN 46 HA GLN 46 14.639 4.011 26.583 320 1HB GLN 46 2HB GLN 46 12.661 2.632 24.719 321 2HB GLN 46 1HB GLN 46 14.409 2.475 24.595 322 1HG GLN 46 2HG GLN 46 13.158 1.898 27.248 323 2HG GLN 46 1HG GLN 46 12.930 0.723 25.961 324 1HE2 GLN 46 2HE2 GLN 46 16.357 -0.319 25.987 325 2HE2 GLN 46 1HE2 GLN 46 14.941 -0.320 25.056 326 H TYR 47 H TYR 47 12.026 5.473 24.732 327 HA TYR 47 HA TYR 47 13.515 6.451 22.540 328 1HB TYR 47 2HB TYR 47 10.858 7.023 23.704 329 2HB TYR 47 1HB TYR 47 11.573 8.396 22.900 330 HD1 TYR 47 HD2 TYR 47 13.062 6.799 20.668 331 HD2 TYR 47 HD1 TYR 47 9.079 6.569 22.267 332 HE1 TYR 47 HE2 TYR 47 12.252 5.871 18.523 333 HE2 TYR 47 HE1 TYR 47 8.272 5.640 20.119 334 HH TYR 47 HH TYR 47 9.581 4.244 18.102 335 H LYS 48 H LYS 48 12.869 7.921 25.759 336 HA LYS 48 HA LYS 48 14.184 10.417 25.198 337 1HB LYS 48 2HB LYS 48 13.937 9.127 27.946 338 2HB LYS 48 1HB LYS 48 14.308 10.805 27.597 339 1HG LYS 48 2HG LYS 48 12.099 11.288 26.932 340 2HG LYS 48 1HG LYS 48 11.705 9.584 26.672 341 1HD LYS 48 2HD LYS 48 12.122 9.225 29.143 342 2HD LYS 48 1HD LYS 48 12.166 10.982 29.304 343 1HE LYS 48 2HE LYS 48 9.839 10.105 27.778 344 2HE LYS 48 1HE LYS 48 9.881 9.363 29.367 345 1HZ LYS 48 3HZ LYS 48 10.104 12.297 28.844 346 2HZ LYS 48 2HZ LYS 48 8.723 11.477 29.371 347 3HZ LYS 48 1HZ LYS 48 10.088 11.556 30.372 348 H LEU 49 H LEU 49 15.294 7.468 26.775 349 HA LEU 49 HA LEU 49 17.978 8.257 27.290 350 1HB LEU 49 2HB LEU 49 16.511 5.678 27.060 351 2HB LEU 49 1HB LEU 49 18.271 5.585 26.972 352 HG LEU 49 HG LEU 49 16.813 7.090 29.135 353 1HD1 LEU 49 3HD1 LEU 49 16.088 4.750 29.221 354 2HD1 LEU 49 2HD1 LEU 49 17.773 4.221 29.226 355 3HD1 LEU 49 1HD1 LEU 49 17.132 5.138 30.587 356 1HD2 LEU 49 2HD2 LEU 49 19.646 6.207 28.636 357 2HD2 LEU 49 1HD2 LEU 49 19.052 7.773 29.178 358 3HD2 LEU 49 3HD2 LEU 49 19.083 6.411 30.296 359 H MET 50 H MET 50 16.506 6.759 24.476 360 HA MET 50 HA MET 50 18.706 6.200 22.812 361 1HB MET 50 2HB MET 50 15.803 6.784 22.376 362 2HB MET 50 1HB MET 50 16.874 6.806 20.996 363 1HG MET 50 2HG MET 50 17.589 4.517 21.453 364 2HG MET 50 1HG MET 50 16.614 4.504 22.923 365 1HE MET 50 2HE MET 50 16.807 4.357 19.133 366 2HE MET 50 1HE MET 50 16.477 2.730 19.711 367 3HE MET 50 3HE MET 50 15.297 3.583 18.701 368 H CYS 51 H CYS 51 16.720 9.203 23.073 369 HA CYS 51 HA CYS 51 18.035 10.644 21.023 370 1HB CYS 51 2HB CYS 51 16.251 11.381 23.290 371 2HB CYS 51 1HB CYS 51 17.294 12.661 22.703 372 H ALA 52 H ALA 52 19.089 9.936 24.288 373 HA ALA 52 HA ALA 52 21.442 11.728 24.025 374 1HB ALA 52 1HB ALA 52 19.948 10.663 26.439 375 2HB ALA 52 3HB ALA 52 21.526 11.442 26.548 376 3HB ALA 52 2HB ALA 52 20.138 12.341 25.938 377 H SER 53 H SER 53 21.322 9.124 22.717 378 HA SER 53 HA SER 53 23.518 7.713 24.116 379 1HB SER 53 2HB SER 53 21.211 6.491 24.100 380 2HB SER 53 1HB SER 53 21.519 6.226 22.395 381 HG SER 53 HG SER 53 22.701 4.568 23.132 382 H THR 54 H THR 54 25.298 7.758 23.023 383 HA THR 54 HA THR 54 25.927 8.919 20.628 384 HB THR 54 HB THR 54 27.474 6.504 21.605 385 HG1 THR 54 HG1 THR 54 28.030 7.527 23.349 386 1HG2 THR 54 1HG2 THR 54 28.322 9.128 20.346 387 2HG2 THR 54 3HG2 THR 54 29.410 7.846 20.883 388 3HG2 THR 54 2HG2 THR 54 28.287 7.549 19.565 389 H ALA 55 H ALA 55 25.817 5.348 20.952 390 HA ALA 55 HA ALA 55 26.047 4.548 18.318 391 1HB ALA 55 3HB ALA 55 25.898 3.042 20.328 392 2HB ALA 55 2HB ALA 55 24.153 3.280 20.292 393 3HB ALA 55 1HB ALA 55 24.960 2.505 18.936 394 H CYS 56 H CYS 56 23.034 5.215 20.039 395 HA CYS 56 HA CYS 56 21.240 4.665 17.988 396 1HB CYS 56 2HB CYS 56 20.807 6.666 20.245 397 2HB CYS 56 1HB CYS 56 19.541 5.900 19.296 398 H ASN 57 H ASN 57 22.574 7.798 18.925 399 HA ASN 57 HA ASN 57 21.410 9.464 16.965 400 1HB ASN 57 2HB ASN 57 24.028 9.667 18.480 401 2HB ASN 57 1HB ASN 57 23.530 10.890 17.316 402 1HD2 ASN 57 2HD2 ASN 57 20.645 11.872 19.336 403 2HD2 ASN 57 1HD2 ASN 57 21.002 11.552 17.709 404 H THR 58 H THR 58 24.342 7.500 16.748 405 HA THR 58 HA THR 58 25.223 8.405 14.206 406 HB THR 58 HB THR 58 25.587 5.678 15.514 407 HG1 THR 58 HG1 THR 58 27.588 6.515 16.210 408 1HG2 THR 58 3HG2 THR 58 26.889 6.917 13.105 409 2HG2 THR 58 2HG2 THR 58 27.746 5.727 14.079 410 3HG2 THR 58 1HG2 THR 58 26.224 5.297 13.303 411 H MET 59 H MET 59 23.198 5.623 15.067 412 HA MET 59 HA MET 59 22.554 4.602 12.544 413 1HB MET 59 2HB MET 59 20.485 4.779 14.716 414 2HB MET 59 1HB MET 59 20.544 3.644 13.399 415 1HG MET 59 2HG MET 59 22.484 2.537 14.449 416 2HG MET 59 1HG MET 59 22.499 3.742 15.729 417 1HE MET 59 2HE MET 59 19.738 4.329 16.642 418 2HE MET 59 1HE MET 59 18.776 3.574 15.388 419 3HE MET 59 3HE MET 59 18.678 2.991 17.059 420 H ILE 60 H ILE 60 20.474 6.842 14.343 421 HA ILE 60 HA ILE 60 18.696 7.322 12.186 422 HB ILE 60 HB ILE 60 19.132 8.832 14.759 423 1HG1 ILE 60 2HG1 ILE 60 17.000 6.875 13.871 424 2HG1 ILE 60 1HG1 ILE 60 18.423 6.439 14.812 425 1HG2 ILE 60 3HG2 ILE 60 17.098 9.228 12.552 426 2HG2 ILE 60 2HG2 ILE 60 16.661 9.538 14.229 427 3HG2 ILE 60 1HG2 ILE 60 17.962 10.457 13.483 428 1HD1 ILE 60 3HD1 ILE 60 17.750 8.036 16.567 429 2HD1 ILE 60 2HD1 ILE 60 16.310 8.423 15.615 430 3HD1 ILE 60 1HD1 ILE 60 16.515 6.796 16.282 431 H LYS 61 H LYS 61 21.172 9.526 13.453 432 HA LYS 61 HA LYS 61 20.942 11.590 11.590 433 1HB LYS 61 2HB LYS 61 22.555 11.508 13.566 434 2HB LYS 61 1HB LYS 61 23.620 10.529 12.583 435 1HG LYS 61 2HG LYS 61 24.519 12.410 11.803 436 2HG LYS 61 1HG LYS 61 23.018 12.774 10.969 437 1HD LYS 61 2HD LYS 61 23.574 13.532 13.855 438 2HD LYS 61 1HD LYS 61 23.899 14.599 12.497 439 1HE LYS 61 2HE LYS 61 21.156 13.448 12.647 440 2HE LYS 61 1HE LYS 61 21.588 14.597 13.895 441 1HZ LYS 61 3HZ LYS 61 22.271 15.401 11.168 442 2HZ LYS 61 2HZ LYS 61 20.625 15.277 11.507 443 3HZ LYS 61 1HZ LYS 61 21.605 16.303 12.440 444 H LYS 62 H LYS 62 22.749 8.570 11.264 445 HA LYS 62 HA LYS 62 23.845 8.959 8.687 446 1HB LYS 62 2HB LYS 62 24.519 7.129 10.273 447 2HB LYS 62 1HB LYS 62 23.015 6.287 9.898 448 1HG LYS 62 2HG LYS 62 23.691 6.185 7.520 449 2HG LYS 62 1HG LYS 62 25.190 7.026 7.905 450 1HD LYS 62 2HD LYS 62 25.414 5.045 9.675 451 2HD LYS 62 1HD LYS 62 24.358 4.227 8.547 452 1HE LYS 62 2HE LYS 62 26.569 3.657 7.894 453 2HE LYS 62 1HE LYS 62 26.008 4.836 6.716 454 1HZ LYS 62 1HZ LYS 62 27.193 6.570 8.010 455 2HZ LYS 62 3HZ LYS 62 27.787 5.369 9.045 456 3HZ LYS 62 2HZ LYS 62 28.228 5.375 7.409 457 H ILE 63 H ILE 63 20.829 7.380 9.656 458 HA ILE 63 HA ILE 63 19.846 6.736 7.062 459 HB ILE 63 HB ILE 63 18.357 7.284 9.646 460 1HG1 ILE 63 2HG1 ILE 63 19.878 5.310 9.651 461 2HG1 ILE 63 1HG1 ILE 63 18.198 4.872 9.883 462 1HG2 ILE 63 2HG2 ILE 63 17.266 6.137 7.073 463 2HG2 ILE 63 1HG2 ILE 63 16.459 6.005 8.628 464 3HG2 ILE 63 3HG2 ILE 63 16.717 7.587 7.900 465 1HD1 ILE 63 1HD1 ILE 63 18.601 4.765 7.103 466 2HD1 ILE 63 3HD1 ILE 63 20.067 4.094 7.810 467 3HD1 ILE 63 2HD1 ILE 63 18.498 3.384 8.202 468 H VAL 64 H VAL 64 19.638 9.774 8.909 469 HA VAL 64 HA VAL 64 17.813 11.062 7.096 470 HB VAL 64 HB VAL 64 19.683 12.307 9.113 471 1HG1 VAL 64 1HG1 VAL 64 18.646 13.902 7.463 472 2HG1 VAL 64 3HG1 VAL 64 17.062 13.298 7.918 473 3HG1 VAL 64 2HG1 VAL 64 18.030 14.186 9.083 474 1HG2 VAL 64 1HG2 VAL 64 18.195 10.649 10.153 475 2HG2 VAL 64 3HG2 VAL 64 17.745 12.280 10.648 476 3HG2 VAL 64 2HG2 VAL 64 16.807 11.431 9.418 477 H THR 65 H THR 65 21.314 11.140 7.504 478 HA THR 65 HA THR 65 21.975 13.081 5.540 479 HB THR 65 HB THR 65 24.112 11.383 5.346 480 HG1 THR 65 HG1 THR 65 23.354 9.806 6.667 481 1HG2 THR 65 1HG2 THR 65 24.003 13.788 6.228 482 2HG2 THR 65 3HG2 THR 65 23.868 13.049 7.826 483 3HG2 THR 65 2HG2 THR 65 25.282 12.729 6.830 484 H LEU 66 H LEU 66 21.269 9.650 5.277 485 HA LEU 66 HA LEU 66 22.014 9.237 2.539 486 1HB LEU 66 2HB LEU 66 20.396 7.787 4.601 487 2HB LEU 66 1HB LEU 66 20.190 7.337 2.934 488 HG LEU 66 HG LEU 66 21.912 6.124 4.431 489 1HD1 LEU 66 2HD1 LEU 66 21.584 6.305 1.730 490 2HD1 LEU 66 1HD1 LEU 66 23.299 6.690 1.906 491 3HD1 LEU 66 3HD1 LEU 66 22.656 5.178 2.551 492 1HD2 LEU 66 3HD2 LEU 66 23.214 8.216 5.061 493 2HD2 LEU 66 2HD2 LEU 66 24.195 6.936 4.387 494 3HD2 LEU 66 1HD2 LEU 66 23.756 8.306 3.388 495 H ASN 67 H ASN 67 19.019 10.214 4.078 496 HA ASN 67 HA ASN 67 17.112 11.207 3.328 497 1HB ASN 67 2HB ASN 67 19.068 12.227 1.670 498 2HB ASN 67 1HB ASN 67 17.834 11.671 0.532 499 1HD2 ASN 67 2HD2 ASN 67 16.900 14.648 3.236 500 2HD2 ASN 67 1HD2 ASN 67 18.161 13.572 3.592 501 HA PRO 68 HA PRO 68 15.765 7.319 1.357 502 1HB PRO 68 2HB PRO 68 14.023 6.472 3.240 503 2HB PRO 68 1HB PRO 68 15.765 6.097 3.250 504 1HG PRO 68 2HG PRO 68 14.319 8.078 4.973 505 2HG PRO 68 1HG PRO 68 15.771 7.127 5.314 506 1HD PRO 68 2HD PRO 68 15.790 9.833 4.565 507 2HD PRO 68 1HD PRO 68 17.158 8.736 4.485 508 HA PRO 69 HA PRO 69 11.777 8.937 -0.024 509 1HB PRO 69 2HB PRO 69 10.797 6.717 -1.233 510 2HB PRO 69 1HB PRO 69 12.164 7.640 -1.867 511 1HG PRO 69 2HG PRO 69 12.178 4.976 -0.663 512 2HG PRO 69 1HG PRO 69 13.367 5.789 -1.706 513 1HD PRO 69 2HD PRO 69 13.486 5.472 1.162 514 2HD PRO 69 1HD PRO 69 14.644 6.259 0.059 515 H ASN 70 H ASN 70 9.469 8.777 0.306 516 HA ASN 70 HA ASN 70 8.657 7.645 2.875 517 1HB ASN 70 2HB ASN 70 7.996 9.951 2.220 518 2HB ASN 70 1HB ASN 70 7.016 9.281 0.907 519 1HD2 ASN 70 2HD2 ASN 70 4.368 8.273 3.002 520 2HD2 ASN 70 1HD2 ASN 70 4.973 8.381 1.422 521 H CYS 71 H CYS 71 7.883 5.708 3.085 522 HA CYS 71 HA CYS 71 5.700 4.534 2.045 523 1HB CYS 71 2HB CYS 71 6.393 2.826 0.457 524 2HB CYS 71 1HB CYS 71 6.733 4.408 -0.187 525 H ASP 72 H ASP 72 5.204 2.607 2.945 526 HA ASP 72 HA ASP 72 6.850 1.769 5.203 527 1HB ASP 72 2HB ASP 72 4.007 1.300 4.371 528 2HB ASP 72 1HB ASP 72 4.748 0.238 5.547 529 H LEU 73 H LEU 73 8.013 -0.028 5.411 530 HA LEU 73 HA LEU 73 7.670 -2.263 3.553 531 1HB LEU 73 2HB LEU 73 10.000 -2.434 3.053 532 2HB LEU 73 1HB LEU 73 9.470 -0.824 2.727 533 HG LEU 73 HG LEU 73 11.671 -0.798 3.605 534 1HD1 LEU 73 2HD1 LEU 73 9.996 0.938 4.541 535 2HD1 LEU 73 1HD1 LEU 73 10.251 0.072 6.058 536 3HD1 LEU 73 3HD1 LEU 73 11.618 0.794 5.221 537 1HD2 LEU 73 1HD2 LEU 73 11.065 -3.035 5.033 538 2HD2 LEU 73 3HD2 LEU 73 12.523 -2.069 5.232 539 3HD2 LEU 73 2HD2 LEU 73 11.148 -1.817 6.306 540 H THR 74 H THR 74 8.184 -4.307 4.264 541 HA THR 74 HA THR 74 7.945 -4.689 7.164 542 HB THR 74 HB THR 74 8.142 -7.068 5.422 543 HG1 THR 74 HG1 THR 74 6.353 -6.802 4.344 544 1HG2 THR 74 3HG2 THR 74 7.285 -6.492 8.007 545 2HG2 THR 74 2HG2 THR 74 5.813 -6.885 7.126 546 3HG2 THR 74 1HG2 THR 74 7.161 -8.023 7.153 547 H VAL 75 H VAL 75 9.353 -5.833 8.472 548 HA VAL 75 HA VAL 75 12.122 -6.040 7.534 549 HB VAL 75 HB VAL 75 10.995 -6.618 10.312 550 1HG1 VAL 75 3HG1 VAL 75 13.850 -6.180 9.375 551 2HG1 VAL 75 2HG1 VAL 75 13.360 -6.356 11.061 552 3HG1 VAL 75 1HG1 VAL 75 13.169 -7.701 9.942 553 1HG2 VAL 75 1HG2 VAL 75 10.751 -4.211 9.587 554 2HG2 VAL 75 3HG2 VAL 75 11.791 -4.431 10.992 555 3HG2 VAL 75 2HG2 VAL 75 12.501 -4.141 9.403 556 HA PRO 76 HA PRO 76 11.493 -10.351 6.586 557 1HB PRO 76 2HB PRO 76 14.071 -11.078 6.175 558 2HB PRO 76 1HB PRO 76 13.114 -10.155 5.003 559 1HG PRO 76 2HG PRO 76 15.236 -9.195 6.855 560 2HG PRO 76 1HG PRO 76 14.807 -8.605 5.237 561 1HD PRO 76 2HD PRO 76 14.077 -7.334 7.580 562 2HD PRO 76 1HD PRO 76 13.232 -7.147 6.029 563 H THR 77 H THR 77 13.763 -9.481 9.157 564 HA THR 77 HA THR 77 13.758 -12.177 10.251 565 HB THR 77 HB THR 77 15.876 -11.211 10.212 566 HG1 THR 77 HG1 THR 77 15.240 -10.899 12.936 567 1HG2 THR 77 2HG2 THR 77 14.699 -8.778 11.550 568 2HG2 THR 77 1HG2 THR 77 16.426 -9.114 11.586 569 3HG2 THR 77 3HG2 THR 77 15.609 -8.884 10.043 570 H SER 78 H SER 78 12.543 -9.005 11.486 571 HA SER 78 HA SER 78 11.468 -10.300 13.848 572 1HB SER 78 2HB SER 78 10.314 -8.078 14.274 573 2HB SER 78 1HB SER 78 12.050 -7.983 14.155 574 HG SER 78 HG SER 78 11.467 -6.429 12.779 575 H GLY 79 H GLY 79 10.048 -8.865 10.962 576 1HA GLY 79 2HA GLY 79 8.327 -10.097 9.702 577 2HA GLY 79 1HA GLY 79 7.635 -10.599 11.239 578 H LEU 80 H LEU 80 8.230 -7.625 12.135 579 HA LEU 80 HA LEU 80 5.599 -6.612 11.459 580 1HB LEU 80 2HB LEU 80 7.108 -6.472 13.686 581 2HB LEU 80 1HB LEU 80 7.523 -4.926 12.966 582 HG LEU 80 HG LEU 80 4.677 -5.239 12.788 583 1HD1 LEU 80 2HD1 LEU 80 5.803 -5.737 15.557 584 2HD1 LEU 80 1HD1 LEU 80 4.127 -5.348 15.198 585 3HD1 LEU 80 3HD1 LEU 80 4.819 -6.860 14.622 586 1HD2 LEU 80 2HD2 LEU 80 6.496 -3.494 14.475 587 2HD2 LEU 80 1HD2 LEU 80 5.816 -3.099 12.898 588 3HD2 LEU 80 3HD2 LEU 80 4.761 -3.240 14.302 589 H VAL 81 H VAL 81 5.257 -4.431 10.758 590 HA VAL 81 HA VAL 81 6.973 -3.624 8.492 591 HB VAL 81 HB VAL 81 4.140 -2.827 9.230 592 1HG1 VAL 81 1HG1 VAL 81 5.906 -2.017 6.935 593 2HG1 VAL 81 3HG1 VAL 81 4.153 -1.993 6.780 594 3HG1 VAL 81 2HG1 VAL 81 4.943 -0.996 7.994 595 1HG2 VAL 81 2HG2 VAL 81 4.737 -5.227 8.276 596 2HG2 VAL 81 1HG2 VAL 81 3.348 -4.336 7.657 597 3HG2 VAL 81 3HG2 VAL 81 4.857 -4.359 6.749 598 H LEU 82 H LEU 82 7.885 -1.620 8.348 599 HA LEU 82 HA LEU 82 7.422 0.404 10.455 600 1HB LEU 82 2HB LEU 82 9.282 -0.969 11.251 601 2HB LEU 82 1HB LEU 82 10.131 -0.739 9.744 602 HG LEU 82 HG LEU 82 10.309 1.719 10.281 603 1HD1 LEU 82 3HD1 LEU 82 8.554 0.865 12.524 604 2HD1 LEU 82 2HD1 LEU 82 9.922 1.862 12.998 605 3HD1 LEU 82 1HD1 LEU 82 8.773 2.464 11.808 606 1HD2 LEU 82 1HD2 LEU 82 11.341 -0.360 12.212 607 2HD2 LEU 82 3HD2 LEU 82 12.175 0.361 10.833 608 3HD2 LEU 82 2HD2 LEU 82 11.856 1.326 12.281 609 H ASN 83 H ASN 83 7.766 2.499 9.797 610 HA ASN 83 HA ASN 83 8.244 2.959 6.908 611 1HB ASN 83 2HB ASN 83 6.138 3.912 8.087 612 2HB ASN 83 1HB ASN 83 7.222 5.003 8.925 613 1HD2 ASN 83 2HD2 ASN 83 5.978 6.842 5.946 614 2HD2 ASN 83 1HD2 ASN 83 5.297 6.236 7.383 615 H VAL 84 H VAL 84 10.331 3.255 6.529 616 HA VAL 84 HA VAL 84 12.186 4.133 8.506 617 HB VAL 84 HB VAL 84 12.522 3.565 5.549 618 1HG1 VAL 84 3HG1 VAL 84 14.540 4.464 7.591 619 2HG1 VAL 84 2HG1 VAL 84 15.012 3.253 6.397 620 3HG1 VAL 84 1HG1 VAL 84 14.453 4.836 5.866 621 1HG2 VAL 84 1HG2 VAL 84 11.894 1.734 7.210 622 2HG2 VAL 84 3HG2 VAL 84 13.365 1.454 6.277 623 3HG2 VAL 84 2HG2 VAL 84 13.469 1.993 7.947 624 H TYR 85 H TYR 85 10.670 5.848 5.814 625 HA TYR 85 HA TYR 85 12.244 8.235 5.974 626 1HB TYR 85 2HB TYR 85 10.604 7.725 4.083 627 2HB TYR 85 1HB TYR 85 9.300 8.141 5.164 628 HD1 TYR 85 HD1 TYR 85 12.638 9.598 4.219 629 HD2 TYR 85 HD2 TYR 85 8.468 10.348 4.893 630 HE1 TYR 85 HE1 TYR 85 12.986 11.982 3.674 631 HE2 TYR 85 HE2 TYR 85 8.819 12.745 4.343 632 HH TYR 85 HH TYR 85 11.290 13.918 2.718 633 H SER 86 H SER 86 8.973 7.572 7.213 634 HA SER 86 HA SER 86 8.908 9.861 8.913 635 1HB SER 86 2HB SER 86 7.159 7.378 8.950 636 2HB SER 86 1HB SER 86 6.906 8.760 10.004 637 HG SER 86 HG SER 86 5.783 9.436 8.288 638 H TYR 87 H TYR 87 10.334 6.776 9.488 639 HA TYR 87 HA TYR 87 10.449 6.662 12.316 640 1HB TYR 87 2HB TYR 87 11.127 4.733 11.157 641 2HB TYR 87 1HB TYR 87 12.069 5.623 10.022 642 HD1 TYR 87 HD2 TYR 87 11.991 4.497 13.594 643 HD2 TYR 87 HD1 TYR 87 14.345 5.749 10.237 644 HE1 TYR 87 HE2 TYR 87 14.066 3.873 14.814 645 HE2 TYR 87 HE1 TYR 87 16.426 5.129 11.444 646 HH TYR 87 HH TYR 87 16.696 3.176 13.736 647 H ALA 88 H ALA 88 13.019 7.672 10.099 648 HA ALA 88 HA ALA 88 14.660 8.992 12.019 649 1HB ALA 88 1HB ALA 88 14.688 8.953 9.002 650 2HB ALA 88 3HB ALA 88 16.001 9.586 10.005 651 3HB ALA 88 2HB ALA 88 15.557 7.877 10.088 652 H ASN 89 H ASN 89 12.419 10.312 9.606 653 HA ASN 89 HA ASN 89 13.043 13.073 10.180 654 1HB ASN 89 2HB ASN 89 11.270 11.695 8.369 655 2HB ASN 89 1HB ASN 89 10.347 12.937 9.200 656 1HD2 ASN 89 2HD2 ASN 89 13.214 14.021 6.532 657 2HD2 ASN 89 1HD2 ASN 89 12.993 12.389 6.931 658 H GLY 90 H GLY 90 10.371 10.966 11.217 659 1HA GLY 90 2HA GLY 90 8.938 12.663 12.929 660 2HA GLY 90 1HA GLY 90 9.014 10.911 13.029 661 H PHE 91 H PHE 91 11.679 10.500 13.675 662 HA PHE 91 HA PHE 91 11.887 10.539 16.401 663 1HB PHE 91 2HB PHE 91 13.483 9.641 14.455 664 2HB PHE 91 1HB PHE 91 14.447 11.009 14.950 665 HD1 PHE 91 HD1 PHE 91 15.362 11.118 17.291 666 HD2 PHE 91 HD2 PHE 91 13.168 7.713 15.855 667 HE1 PHE 91 HE1 PHE 91 16.212 9.772 19.187 668 HE2 PHE 91 HE2 PHE 91 14.015 6.371 17.747 669 HZ PHE 91 HZ PHE 91 15.537 7.390 19.423 670 H SER 92 H SER 92 13.100 13.147 14.278 671 HA SER 92 HA SER 92 14.284 14.699 16.358 672 1HB SER 92 2HB SER 92 14.449 16.532 14.740 673 2HB SER 92 1HB SER 92 14.961 15.025 14.024 674 HG SER 92 HG SER 92 12.947 14.966 12.922 675 H ASN 93 H ASN 93 11.238 15.539 14.629 676 HA ASN 93 HA ASN 93 10.469 17.588 16.399 677 1HB ASN 93 2HB ASN 93 8.064 17.082 15.658 678 2HB ASN 93 1HB ASN 93 9.212 17.555 14.430 679 1HD2 ASN 93 2HD2 ASN 93 8.711 14.600 12.564 680 2HD2 ASN 93 1HD2 ASN 93 9.446 16.120 12.640 681 H LYS 94 H LYS 94 9.686 14.106 16.610 682 HA LYS 94 HA LYS 94 8.145 14.472 18.979 683 1HB LYS 94 2HB LYS 94 8.063 12.063 19.192 684 2HB LYS 94 1HB LYS 94 7.993 12.426 17.486 685 1HG LYS 94 2HG LYS 94 9.505 10.696 17.514 686 2HG LYS 94 1HG LYS 94 10.610 12.063 17.626 687 1HD LYS 94 2HD LYS 94 10.992 11.737 19.916 688 2HD LYS 94 1HD LYS 94 9.518 10.795 20.137 689 1HE LYS 94 2HE LYS 94 10.599 8.882 19.691 690 2HE LYS 94 1HE LYS 94 11.212 9.517 18.171 691 1HZ LYS 94 2HZ LYS 94 12.970 10.657 19.393 692 2HZ LYS 94 1HZ LYS 94 12.426 9.961 20.864 693 3HZ LYS 94 3HZ LYS 94 13.003 8.981 19.613 694 H CYS 95 H CYS 95 11.612 13.926 18.533 695 HA CYS 95 HA CYS 95 12.250 13.618 21.295 696 1HB CYS 95 2HB CYS 95 13.868 13.268 19.272 697 2HB CYS 95 1HB CYS 95 14.142 14.999 19.368 698 H SER 96 H SER 96 11.630 16.500 19.359 699 HA SER 96 HA SER 96 12.556 18.437 21.252 700 1HB SER 96 2HB SER 96 11.521 18.568 18.642 701 2HB SER 96 1HB SER 96 10.258 19.299 19.614 702 HG SER 96 HG SER 96 12.301 20.545 18.774 703 H SER 97 H SER 97 9.438 16.887 20.678 704 HA SER 97 HA SER 97 8.106 18.161 22.975 705 1HB SER 97 2HB SER 97 7.062 17.639 20.652 706 2HB SER 97 1HB SER 97 6.986 15.986 21.212 707 HG SER 97 HG SER 97 5.635 16.727 22.902 708 H LEU 98 HN LEU 98 10.199 15.506 22.790 709 HA LEU 98 HA LEU 98 8.868 14.003 24.974 710 1HB LEU 98 2HB LEU 98 8.963 12.775 22.896 711 2HB LEU 98 1HB LEU 98 10.646 13.127 22.713 712 HG LEU 98 HG LEU 98 9.860 10.778 23.417 713 1HD1 LEU 98 3HD1 LEU 98 12.195 11.777 23.351 714 2HD1 LEU 98 2HD1 LEU 98 12.044 11.991 25.092 715 3HD1 LEU 98 1HD1 LEU 98 11.968 10.373 24.394 716 1HD2 LEU 98 1HD2 LEU 98 8.532 11.753 25.451 717 2HD2 LEU 98 3HD2 LEU 98 9.526 10.317 25.716 718 3HD2 LEU 98 2HD2 LEU 98 10.122 11.896 26.213 No H/Q in entry = 718 Start of MODEL 14 1 1H THR 1 3H THR 1 2.694 1.989 -3.310 2 2H THR 1 2H THR 1 1.415 3.105 -3.397 3 3H THR 1 1H THR 1 2.979 3.636 -3.033 4 HA THR 1 HA THR 1 1.717 3.656 -1.065 5 HB THR 1 HB THR 1 1.174 0.678 -1.406 6 HG1 THR 1 HG1 THR 1 -0.697 1.176 -2.360 7 1HG2 THR 1 1HG2 THR 1 0.125 2.834 0.430 8 2HG2 THR 1 3HG2 THR 1 -0.695 1.290 0.217 9 3HG2 THR 1 2HG2 THR 1 0.936 1.332 0.875 10 H ALA 2 H ALA 2 3.321 0.461 -1.588 11 HA ALA 2 HA ALA 2 5.337 1.254 0.435 12 1HB ALA 2 1HB ALA 2 3.802 -1.224 0.012 13 2HB ALA 2 3HB ALA 2 5.506 -1.457 0.407 14 3HB ALA 2 2HB ALA 2 4.469 -0.539 1.490 15 H CYS 3 H CYS 3 7.427 -0.290 0.156 16 HA CYS 3 HA CYS 3 8.555 0.487 -2.389 17 1HB CYS 3 2HB CYS 3 9.766 -1.408 -0.380 18 2HB CYS 3 1HB CYS 3 10.458 -1.113 -1.903 19 H THR 4 H THR 4 9.461 -0.922 -3.939 20 HA THR 4 HA THR 4 8.452 -3.641 -4.205 21 HB THR 4 HB THR 4 7.803 -1.350 -6.110 22 HG1 THR 4 HG1 THR 4 6.135 -1.440 -4.802 23 1HG2 THR 4 3HG2 THR 4 8.508 -3.299 -7.397 24 2HG2 THR 4 2HG2 THR 4 7.367 -4.300 -6.503 25 3HG2 THR 4 1HG2 THR 4 6.774 -3.012 -7.560 26 H ALA 5 H ALA 5 10.221 -4.772 -4.701 27 HA ALA 5 HA ALA 5 12.318 -5.395 -5.193 28 1HB ALA 5 1HB ALA 5 11.213 -4.337 -7.774 29 2HB ALA 5 3HB ALA 5 12.768 -5.162 -7.703 30 3HB ALA 5 2HB ALA 5 11.296 -5.999 -7.205 31 H THR 6 H THR 6 12.738 -2.683 -7.405 32 HA THR 6 HA THR 6 15.343 -2.004 -6.638 33 HB THR 6 HB THR 6 14.837 0.174 -7.898 34 HG1 THR 6 HG1 THR 6 12.857 0.411 -8.772 35 1HG2 THR 6 3HG2 THR 6 14.298 -2.519 -9.140 36 2HG2 THR 6 2HG2 THR 6 14.537 -1.053 -10.071 37 3HG2 THR 6 1HG2 THR 6 15.842 -1.675 -9.057 38 H GLN 7 H GLN 7 12.274 -0.387 -5.789 39 HA GLN 7 HA GLN 7 13.333 1.652 -4.099 40 1HB GLN 7 2HB GLN 7 10.783 0.864 -4.886 41 2HB GLN 7 1HB GLN 7 10.752 0.557 -3.158 42 1HG GLN 7 2HG GLN 7 10.410 2.744 -2.831 43 2HG GLN 7 1HG GLN 7 12.008 3.102 -3.440 44 1HE2 GLN 7 2HE2 GLN 7 10.761 3.772 -6.842 45 2HE2 GLN 7 1HE2 GLN 7 12.096 3.078 -6.078 46 H GLN 8 H GLN 8 12.135 -1.605 -3.405 47 HA GLN 8 HA GLN 8 12.522 -1.617 -0.624 48 1HB GLN 8 2HB GLN 8 11.149 -3.319 -2.034 49 2HB GLN 8 1HB GLN 8 12.687 -4.169 -2.219 50 1HG GLN 8 2HG GLN 8 12.724 -4.879 -0.094 51 2HG GLN 8 1HG GLN 8 12.329 -3.302 0.542 52 1HE2 GLN 8 2HE2 GLN 8 9.729 -6.009 1.256 53 2HE2 GLN 8 1HE2 GLN 8 11.428 -6.089 1.278 54 H THR 9 H THR 9 14.780 -2.593 -3.199 55 HA THR 9 HA THR 9 16.810 -3.580 -1.464 56 HB THR 9 HB THR 9 18.280 -3.095 -3.514 57 HG1 THR 9 HG1 THR 9 17.244 -2.002 -5.001 58 1HG2 THR 9 3HG2 THR 9 17.521 -5.292 -2.777 59 2HG2 THR 9 2HG2 THR 9 16.058 -5.107 -3.750 60 3HG2 THR 9 1HG2 THR 9 17.645 -5.170 -4.532 61 H ALA 10 H ALA 10 16.013 -0.358 -2.640 62 HA ALA 10 HA ALA 10 18.460 0.918 -1.856 63 1HB ALA 10 2HB ALA 10 16.344 1.847 -3.272 64 2HB ALA 10 1HB ALA 10 15.868 2.450 -1.690 65 3HB ALA 10 3HB ALA 10 17.412 2.936 -2.391 66 H ALA 11 H ALA 11 15.330 0.434 -0.292 67 HA ALA 11 HA ALA 11 15.917 1.628 2.219 68 1HB ALA 11 1HB ALA 11 13.577 1.066 1.477 69 2HB ALA 11 3HB ALA 11 13.966 -0.642 1.689 70 3HB ALA 11 2HB ALA 11 13.951 0.440 3.079 71 H TYR 12 H TYR 12 16.224 -1.700 1.059 72 HA TYR 12 HA TYR 12 17.098 -2.881 3.500 73 1HB TYR 12 2HB TYR 12 17.154 -3.710 0.633 74 2HB TYR 12 1HB TYR 12 18.333 -4.483 1.689 75 HD1 TYR 12 HD2 TYR 12 17.168 -4.913 4.182 76 HD2 TYR 12 HD1 TYR 12 15.230 -5.007 0.346 77 HE1 TYR 12 HE2 TYR 12 15.433 -6.385 5.126 78 HE2 TYR 12 HE1 TYR 12 13.484 -6.485 1.283 79 HH TYR 12 HH TYR 12 12.821 -6.873 4.390 80 H LYS 13 H LYS 13 18.874 -1.376 0.832 81 HA LYS 13 HA LYS 13 21.517 -1.973 1.605 82 1HB LYS 13 2HB LYS 13 21.042 -0.999 -0.578 83 2HB LYS 13 1HB LYS 13 20.375 0.453 0.151 84 1HG LYS 13 2HG LYS 13 22.541 1.181 0.883 85 2HG LYS 13 1HG LYS 13 23.264 -0.388 0.554 86 1HD LYS 13 2HD LYS 13 23.637 0.129 -1.600 87 2HD LYS 13 1HD LYS 13 21.978 0.653 -1.829 88 1HE LYS 13 2HE LYS 13 23.457 2.512 -2.290 89 2HE LYS 13 1HE LYS 13 22.573 2.860 -0.812 90 1HZ LYS 13 3HZ LYS 13 25.324 1.734 -0.925 91 2HZ LYS 13 2HZ LYS 13 24.961 3.371 -0.660 92 3HZ LYS 13 1HZ LYS 13 24.502 2.201 0.478 93 H THR 14 H THR 14 19.490 0.889 2.430 94 HA THR 14 HA THR 14 21.368 1.994 4.271 95 HB THR 14 HB THR 14 18.378 2.461 4.525 96 HG1 THR 14 HG1 THR 14 18.652 4.117 2.944 97 1HG2 THR 14 3HG2 THR 14 19.876 3.353 6.247 98 2HG2 THR 14 2HG2 THR 14 20.802 4.199 5.013 99 3HG2 THR 14 1HG2 THR 14 19.123 4.644 5.316 100 H LEU 15 H LEU 15 18.499 -0.046 4.896 101 HA LEU 15 HA LEU 15 18.761 -0.214 7.708 102 1HB LEU 15 2HB LEU 15 16.904 -1.091 5.820 103 2HB LEU 15 1HB LEU 15 17.526 -2.583 6.497 104 HG LEU 15 HG LEU 15 17.061 -1.643 8.795 105 1HD1 LEU 15 1HD1 LEU 15 15.699 0.500 7.139 106 2HD1 LEU 15 3HD1 LEU 15 15.384 0.241 8.851 107 3HD1 LEU 15 2HD1 LEU 15 16.986 0.741 8.321 108 1HD2 LEU 15 2HD2 LEU 15 14.715 -1.868 6.882 109 2HD2 LEU 15 1HD2 LEU 15 15.466 -3.198 7.763 110 3HD2 LEU 15 3HD2 LEU 15 14.599 -1.939 8.637 111 H VAL 16 H VAL 16 19.464 -2.972 5.503 112 HA VAL 16 HA VAL 16 20.856 -4.588 7.288 113 HB VAL 16 HB VAL 16 20.080 -4.747 4.754 114 1HG1 VAL 16 2HG1 VAL 16 21.943 -3.478 3.776 115 2HG1 VAL 16 1HG1 VAL 16 23.033 -4.782 4.277 116 3HG1 VAL 16 3HG1 VAL 16 21.727 -5.103 3.136 117 1HG2 VAL 16 3HG2 VAL 16 20.464 -6.629 6.245 118 2HG2 VAL 16 2HG2 VAL 16 21.110 -6.962 4.635 119 3HG2 VAL 16 1HG2 VAL 16 22.195 -6.505 5.948 120 H SER 17 H SER 17 22.215 -1.932 5.402 121 HA SER 17 HA SER 17 24.907 -2.378 6.365 122 1HB SER 17 2HB SER 17 25.630 -0.496 5.177 123 2HB SER 17 1HB SER 17 24.299 -1.097 4.222 124 HG SER 17 HG SER 17 23.038 0.599 5.136 125 H ILE 18 H ILE 18 22.249 -0.510 7.745 126 HA ILE 18 HA ILE 18 23.715 1.135 9.479 127 HB ILE 18 HB ILE 18 21.123 1.062 9.128 128 1HG1 ILE 18 2HG1 ILE 18 22.388 2.674 10.556 129 2HG1 ILE 18 1HG1 ILE 18 20.745 2.366 11.083 130 1HG2 ILE 18 2HG2 ILE 18 21.149 -1.342 10.353 131 2HG2 ILE 18 1HG2 ILE 18 20.784 -0.294 11.716 132 3HG2 ILE 18 3HG2 ILE 18 19.754 -0.276 10.287 133 1HD1 ILE 18 1HD1 ILE 18 22.295 0.496 12.482 134 2HD1 ILE 18 3HD1 ILE 18 23.275 1.951 12.487 135 3HD1 ILE 18 2HD1 ILE 18 21.638 1.977 13.150 136 H LEU 19 H LEU 19 23.058 -2.390 9.844 137 HA LEU 19 HA LEU 19 24.425 -2.222 12.405 138 1HB LEU 19 2HB LEU 19 23.838 -4.713 12.565 139 2HB LEU 19 1HB LEU 19 22.462 -3.636 12.548 140 HG LEU 19 HG LEU 19 23.265 -4.451 9.874 141 1HD1 LEU 19 1HD1 LEU 19 23.160 -6.527 11.913 142 2HD1 LEU 19 3HD1 LEU 19 21.958 -6.804 10.655 143 3HD1 LEU 19 2HD1 LEU 19 23.657 -6.637 10.233 144 1HD2 LEU 19 3HD2 LEU 19 20.683 -4.555 11.465 145 2HD2 LEU 19 2HD2 LEU 19 21.129 -3.430 10.179 146 3HD2 LEU 19 1HD2 LEU 19 20.807 -5.115 9.796 147 H SER 20 H SER 20 25.234 -5.087 10.900 148 HA SER 20 HA SER 20 27.452 -5.860 10.529 149 1HB SER 20 2HB SER 20 25.893 -5.725 8.541 150 2HB SER 20 1HB SER 20 26.743 -4.264 8.074 151 HG SER 20 HG SER 20 28.612 -5.516 7.839 152 H ASP 21 H ASP 21 27.848 -3.492 12.101 153 HA ASP 21 HA ASP 21 30.406 -2.427 10.984 154 1HB ASP 21 2HB ASP 21 28.666 -0.862 10.447 155 2HB ASP 21 1HB ASP 21 27.985 -0.995 12.026 156 H ALA 22 H ALA 22 28.407 -1.902 13.817 157 HA ALA 22 HA ALA 22 29.202 -3.210 15.929 158 1HB ALA 22 1HB ALA 22 31.342 -1.098 15.490 159 2HB ALA 22 3HB ALA 22 30.988 -1.759 17.089 160 3HB ALA 22 2HB ALA 22 31.577 -2.818 15.809 161 H SER 23 H SER 23 28.967 0.127 14.816 162 HA SER 23 HA SER 23 28.060 1.491 17.053 163 1HB SER 23 2HB SER 23 28.543 2.344 14.622 164 2HB SER 23 1HB SER 23 26.840 2.055 14.351 165 HG SER 23 HG SER 23 27.758 4.191 15.250 166 H PHE 24 H PHE 24 26.029 -0.359 14.734 167 HA PHE 24 HA PHE 24 23.524 0.255 15.976 168 1HB PHE 24 2HB PHE 24 23.842 -0.828 13.685 169 2HB PHE 24 1HB PHE 24 24.277 -2.284 14.480 170 HD1 PHE 24 HD1 PHE 24 21.410 0.161 14.321 171 HD2 PHE 24 HD2 PHE 24 22.688 -3.867 15.070 172 HE1 PHE 24 HE1 PHE 24 19.048 -0.564 14.490 173 HE2 PHE 24 HE2 PHE 24 20.331 -4.590 15.238 174 HZ PHE 24 HZ PHE 24 18.506 -2.934 14.948 175 H ASN 25 H ASN 25 25.854 -2.290 16.664 176 HA ASN 25 HA ASN 25 24.382 -3.677 18.701 177 1HB ASN 25 2HB ASN 25 26.842 -4.098 17.448 178 2HB ASN 25 1HB ASN 25 27.302 -3.631 19.074 179 1HD2 ASN 25 2HD2 ASN 25 26.464 -6.789 20.405 180 2HD2 ASN 25 1HD2 ASN 25 27.328 -5.334 20.585 181 H GLN 26 H GLN 26 26.578 -0.921 18.694 182 HA GLN 26 HA GLN 26 26.977 -0.663 21.463 183 1HB GLN 26 2HB GLN 26 28.226 0.524 19.561 184 2HB GLN 26 1HB GLN 26 26.897 1.663 19.519 185 1HG GLN 26 2HG GLN 26 28.253 2.800 20.962 186 2HG GLN 26 1HG GLN 26 27.459 1.788 22.157 187 1HE2 GLN 26 2HE2 GLN 26 31.342 0.857 21.118 188 2HE2 GLN 26 1HE2 GLN 26 30.382 1.657 19.971 189 H CYS 27 H CYS 27 24.550 0.820 19.327 190 HA CYS 27 HA CYS 27 23.106 2.309 21.293 191 1HB CYS 27 2HB CYS 27 22.642 2.496 18.820 192 2HB CYS 27 1HB CYS 27 21.942 0.909 18.852 193 H SER 28 H SER 28 22.462 -0.894 19.918 194 HA SER 28 HA SER 28 20.351 -1.706 21.587 195 1HB SER 28 2HB SER 28 22.457 -3.478 20.302 196 2HB SER 28 1HB SER 28 20.983 -4.054 21.066 197 HG SER 28 HG SER 28 21.056 -3.514 18.640 198 H THR 29 H THR 29 23.819 -1.889 22.287 199 HA THR 29 HA THR 29 23.564 -3.467 24.686 200 HB THR 29 HB THR 29 25.786 -1.749 23.529 201 HG1 THR 29 HG1 THR 29 26.107 -3.582 22.571 202 1HG2 THR 29 2HG2 THR 29 25.729 -3.151 26.194 203 2HG2 THR 29 1HG2 THR 29 27.242 -2.977 25.309 204 3HG2 THR 29 3HG2 THR 29 26.334 -1.547 25.794 205 H ASP 30 H ASP 30 23.959 -0.004 24.081 206 HA ASP 30 HA ASP 30 23.852 0.908 26.748 207 1HB ASP 30 2HB ASP 30 23.276 2.263 24.135 208 2HB ASP 30 1HB ASP 30 23.014 3.106 25.650 209 H SER 31 H SER 31 21.112 0.153 24.646 210 HA SER 31 HA SER 31 19.323 0.909 26.905 211 1HB SER 31 2HB SER 31 19.248 1.982 24.376 212 2HB SER 31 1HB SER 31 17.978 0.765 24.322 213 HG SER 31 HG SER 31 16.939 1.816 25.968 214 H GLY 32 H GLY 32 19.476 -1.441 24.197 215 1HA GLY 32 2HA GLY 32 19.127 -3.836 24.687 216 2HA GLY 32 1HA GLY 32 17.960 -3.338 25.894 217 H TYR 33 H TYR 33 17.894 -1.773 22.734 218 HA TYR 33 HA TYR 33 15.396 -3.246 22.116 219 1HB TYR 33 2HB TYR 33 14.804 -0.999 22.611 220 2HB TYR 33 1HB TYR 33 16.113 -0.350 21.646 221 HD1 TYR 33 HD2 TYR 33 12.924 -2.413 21.282 222 HD2 TYR 33 HD1 TYR 33 15.737 0.293 19.482 223 HE1 TYR 33 HE2 TYR 33 11.483 -2.212 19.295 224 HE2 TYR 33 HE1 TYR 33 14.290 0.490 17.498 225 HH TYR 33 HH TYR 33 11.893 -1.621 16.757 226 H SER 34 H SER 34 15.119 -4.212 20.280 227 HA SER 34 HA SER 34 17.280 -4.194 18.267 228 1HB SER 34 2HB SER 34 15.957 -6.363 17.469 229 2HB SER 34 1HB SER 34 17.121 -6.422 18.752 230 HG SER 34 HG SER 34 14.345 -6.003 19.299 231 H MET 35 H MET 35 16.901 -3.774 16.151 232 HA MET 35 HA MET 35 14.208 -2.775 15.388 233 1HB MET 35 2HB MET 35 15.675 -0.910 15.544 234 2HB MET 35 1HB MET 35 16.970 -1.760 14.723 235 1HG MET 35 2HG MET 35 15.742 -1.669 12.623 236 2HG MET 35 1HG MET 35 14.350 -0.933 13.425 237 1HE MET 35 1HE MET 35 13.867 1.119 12.815 238 2HE MET 35 3HE MET 35 14.458 1.877 14.313 239 3HE MET 35 2HE MET 35 14.874 2.558 12.749 240 H LEU 36 H LEU 36 17.136 -4.097 13.884 241 HA LEU 36 HA LEU 36 16.301 -4.694 11.401 242 1HB LEU 36 2HB LEU 36 17.809 -6.704 11.320 243 2HB LEU 36 1HB LEU 36 18.513 -5.167 11.654 244 HG LEU 36 HG LEU 36 19.266 -5.865 13.734 245 1HD1 LEU 36 1HD1 LEU 36 17.038 -7.905 13.904 246 2HD1 LEU 36 3HD1 LEU 36 18.312 -7.689 15.101 247 3HD1 LEU 36 2HD1 LEU 36 17.139 -6.405 14.832 248 1HD2 LEU 36 3HD2 LEU 36 20.111 -7.336 11.936 249 2HD2 LEU 36 2HD2 LEU 36 20.130 -8.094 13.530 250 3HD2 LEU 36 1HD2 LEU 36 18.872 -8.512 12.365 251 H THR 37 H THR 37 15.215 -6.594 14.097 252 HA THR 37 HA THR 37 13.269 -7.914 12.381 253 HB THR 37 HB THR 37 15.267 -9.389 12.419 254 HG1 THR 37 HG1 THR 37 12.988 -10.435 13.721 255 1HG2 THR 37 3HG2 THR 37 15.318 -8.905 15.228 256 2HG2 THR 37 2HG2 THR 37 14.942 -10.610 14.996 257 3HG2 THR 37 1HG2 THR 37 16.391 -9.927 14.275 258 H ALA 38 H ALA 38 13.101 -5.810 14.413 259 HA ALA 38 HA ALA 38 11.096 -7.063 16.165 260 1HB ALA 38 3HB ALA 38 13.659 -5.829 16.985 261 2HB ALA 38 2HB ALA 38 12.251 -5.389 17.954 262 3HB ALA 38 1HB ALA 38 12.709 -7.083 17.774 263 H LYS 39 H LYS 39 9.806 -6.120 14.618 264 HA LYS 39 HA LYS 39 9.573 -3.363 14.307 265 1HB LYS 39 2HB LYS 39 8.796 -5.441 12.804 266 2HB LYS 39 1HB LYS 39 7.253 -4.741 13.259 267 1HG LYS 39 2HG LYS 39 8.026 -3.684 11.182 268 2HG LYS 39 1HG LYS 39 8.070 -2.520 12.492 269 1HD LYS 39 2HD LYS 39 10.384 -2.477 12.564 270 2HD LYS 39 1HD LYS 39 10.565 -4.070 11.851 271 1HE LYS 39 2HE LYS 39 9.195 -2.181 10.082 272 2HE LYS 39 1HE LYS 39 10.805 -1.647 10.541 273 1HZ LYS 39 3HZ LYS 39 11.636 -3.807 9.691 274 2HZ LYS 39 2HZ LYS 39 10.059 -4.195 9.193 275 3HZ LYS 39 1HZ LYS 39 10.872 -2.880 8.506 276 H ALA 40 H ALA 40 9.047 -4.241 17.072 277 HA ALA 40 HA ALA 40 6.427 -2.978 17.650 278 1HB ALA 40 3HB ALA 40 8.271 -4.760 19.311 279 2HB ALA 40 2HB ALA 40 6.757 -4.081 19.888 280 3HB ALA 40 1HB ALA 40 6.745 -5.278 18.591 281 H LEU 41 H LEU 41 6.922 -0.736 17.938 282 HA LEU 41 HA LEU 41 9.455 0.285 18.579 283 1HB LEU 41 2HB LEU 41 6.734 1.543 18.829 284 2HB LEU 41 1HB LEU 41 8.186 2.411 19.292 285 HG LEU 41 HG LEU 41 7.730 1.182 16.558 286 1HD1 LEU 41 3HD1 LEU 41 6.144 3.018 17.080 287 2HD1 LEU 41 2HD1 LEU 41 7.513 4.089 17.383 288 3HD1 LEU 41 1HD1 LEU 41 7.253 3.420 15.774 289 1HD2 LEU 41 2HD2 LEU 41 9.881 2.983 17.718 290 2HD2 LEU 41 1HD2 LEU 41 10.087 1.455 16.866 291 3HD2 LEU 41 3HD2 LEU 41 9.586 2.894 15.985 292 HA PRO 42 HA PRO 42 9.962 -0.337 22.899 293 1HB PRO 42 2HB PRO 42 11.858 1.523 23.447 294 2HB PRO 42 1HB PRO 42 12.177 -0.030 22.646 295 1HG PRO 42 2HG PRO 42 12.088 2.695 21.492 296 2HG PRO 42 1HG PRO 42 12.955 1.253 20.939 297 1HD PRO 42 2HD PRO 42 10.587 2.219 19.804 298 2HD PRO 42 1HD PRO 42 11.279 0.607 19.555 299 H THR 43 H THR 43 9.950 0.629 25.014 300 HA THR 43 HA THR 43 7.773 2.457 25.430 301 HB THR 43 HB THR 43 8.393 2.003 27.870 302 HG1 THR 43 HG1 THR 43 10.259 1.113 28.128 303 1HG2 THR 43 1HG2 THR 43 7.741 -0.306 26.034 304 2HG2 THR 43 3HG2 THR 43 7.454 -0.271 27.773 305 3HG2 THR 43 2HG2 THR 43 6.596 0.844 26.713 306 H THR 44 H THR 44 7.911 4.298 26.914 307 HA THR 44 HA THR 44 9.549 6.338 26.062 308 HB THR 44 HB THR 44 7.475 6.684 27.265 309 HG1 THR 44 HG1 THR 44 8.168 8.601 27.714 310 1HG2 THR 44 1HG2 THR 44 7.715 5.063 29.122 311 2HG2 THR 44 3HG2 THR 44 8.990 6.070 29.815 312 3HG2 THR 44 2HG2 THR 44 7.345 6.681 29.700 313 H ALA 45 H ALA 45 10.255 4.246 28.800 314 HA ALA 45 HA ALA 45 12.543 5.517 29.853 315 1HB ALA 45 2HB ALA 45 11.947 2.533 29.665 316 2HB ALA 45 1HB ALA 45 13.170 3.248 30.706 317 3HB ALA 45 3HB ALA 45 11.467 3.604 30.981 318 H GLN 46 H GLN 46 12.528 2.833 27.444 319 HA GLN 46 HA GLN 46 15.302 3.115 26.814 320 1HB GLN 46 2HB GLN 46 13.096 1.774 25.195 321 2HB GLN 46 1HB GLN 46 14.823 1.682 24.826 322 1HG GLN 46 2HG GLN 46 15.020 0.929 27.342 323 2HG GLN 46 1HG GLN 46 13.335 0.509 27.151 324 1HE2 GLN 46 2HE2 GLN 46 14.540 -2.647 26.099 325 2HE2 GLN 46 1HE2 GLN 46 13.689 -1.787 27.298 326 H TYR 47 H TYR 47 12.428 4.611 25.482 327 HA TYR 47 HA TYR 47 13.367 5.773 23.084 328 1HB TYR 47 2HB TYR 47 11.129 6.067 24.881 329 2HB TYR 47 1HB TYR 47 11.698 7.658 24.456 330 HD1 TYR 47 HD2 TYR 47 12.173 7.920 21.771 331 HD2 TYR 47 HD1 TYR 47 9.518 5.079 23.612 332 HE1 TYR 47 HE2 TYR 47 10.913 7.717 19.662 333 HE2 TYR 47 HE1 TYR 47 8.258 4.878 21.513 334 HH TYR 47 HH TYR 47 9.121 5.412 18.787 335 H LYS 48 H LYS 48 13.301 7.110 26.390 336 HA LYS 48 HA LYS 48 14.653 9.537 25.906 337 1HB LYS 48 2HB LYS 48 14.716 7.970 28.531 338 2HB LYS 48 1HB LYS 48 15.054 9.682 28.331 339 1HG LYS 48 2HG LYS 48 12.427 8.937 27.269 340 2HG LYS 48 1HG LYS 48 12.588 8.562 28.973 341 1HD LYS 48 2HD LYS 48 13.368 11.279 27.901 342 2HD LYS 48 1HD LYS 48 11.697 10.888 28.278 343 1HE LYS 48 2HE LYS 48 13.704 10.209 30.369 344 2HE LYS 48 1HE LYS 48 13.392 11.920 30.113 345 1HZ LYS 48 2HZ LYS 48 11.216 9.930 30.522 346 2HZ LYS 48 1HZ LYS 48 11.955 10.785 31.789 347 3HZ LYS 48 3HZ LYS 48 11.110 11.627 30.595 348 H LEU 49 H LEU 49 15.919 6.429 27.031 349 HA LEU 49 HA LEU 49 18.676 7.088 27.160 350 1HB LEU 49 2HB LEU 49 17.224 4.511 26.593 351 2HB LEU 49 1HB LEU 49 18.979 4.571 26.498 352 HG LEU 49 HG LEU 49 17.404 5.448 28.926 353 1HD1 LEU 49 2HD1 LEU 49 17.104 2.996 28.283 354 2HD1 LEU 49 1HD1 LEU 49 18.831 2.802 28.574 355 3HD1 LEU 49 3HD1 LEU 49 17.764 3.293 29.889 356 1HD2 LEU 49 1HD2 LEU 49 20.327 4.772 28.436 357 2HD2 LEU 49 3HD2 LEU 49 19.667 6.344 28.890 358 3HD2 LEU 49 2HD2 LEU 49 19.634 5.009 30.038 359 H MET 50 H MET 50 16.742 6.004 24.393 360 HA MET 50 HA MET 50 18.742 5.716 22.422 361 1HB MET 50 2HB MET 50 16.037 5.345 22.521 362 2HB MET 50 1HB MET 50 16.111 6.799 21.554 363 1HG MET 50 2HG MET 50 17.229 5.726 19.805 364 2HG MET 50 1HG MET 50 17.867 4.450 20.843 365 1HE MET 50 2HE MET 50 16.685 2.889 22.045 366 2HE MET 50 1HE MET 50 14.952 3.005 22.302 367 3HE MET 50 3HE MET 50 15.608 1.830 21.149 368 H CYS 51 H CYS 51 16.617 8.503 23.174 369 HA CYS 51 HA CYS 51 17.771 10.342 21.320 370 1HB CYS 51 2HB CYS 51 15.548 10.405 22.914 371 2HB CYS 51 1HB CYS 51 16.623 11.454 23.824 372 H ALA 52 H ALA 52 18.749 9.405 24.581 373 HA ALA 52 HA ALA 52 20.794 11.529 24.675 374 1HB ALA 52 1HB ALA 52 19.679 9.681 26.794 375 2HB ALA 52 3HB ALA 52 21.069 10.737 27.046 376 3HB ALA 52 2HB ALA 52 19.504 11.429 26.646 377 H SER 53 H SER 53 21.043 8.813 23.063 378 HA SER 53 HA SER 53 23.711 8.032 24.125 379 1HB SER 53 2HB SER 53 21.470 6.441 22.927 380 2HB SER 53 1HB SER 53 23.117 5.882 22.730 381 HG SER 53 HG SER 53 21.611 6.310 25.099 382 H THR 54 H THR 54 25.446 8.117 22.822 383 HA THR 54 HA THR 54 25.534 9.630 20.449 384 HB THR 54 HB THR 54 27.616 7.557 21.218 385 HG1 THR 54 HG1 THR 54 28.008 8.698 22.911 386 1HG2 THR 54 1HG2 THR 54 27.644 10.034 19.511 387 2HG2 THR 54 3HG2 THR 54 29.122 9.456 20.285 388 3HG2 THR 54 2HG2 THR 54 28.257 8.422 19.162 389 H ALA 55 H ALA 55 25.902 6.072 20.732 390 HA ALA 55 HA ALA 55 26.018 5.377 18.019 391 1HB ALA 55 1HB ALA 55 26.434 3.752 19.868 392 2HB ALA 55 3HB ALA 55 24.699 3.746 20.193 393 3HB ALA 55 2HB ALA 55 25.304 3.150 18.653 394 H CYS 56 H CYS 56 23.156 5.346 20.095 395 HA CYS 56 HA CYS 56 21.250 4.548 18.234 396 1HB CYS 56 2HB CYS 56 20.746 6.437 20.579 397 2HB CYS 56 1HB CYS 56 19.538 5.460 19.753 398 H ASN 57 H ASN 57 22.167 7.838 19.086 399 HA ASN 57 HA ASN 57 20.528 9.232 17.206 400 1HB ASN 57 2HB ASN 57 22.879 9.927 18.928 401 2HB ASN 57 1HB ASN 57 22.572 10.976 17.553 402 1HD2 ASN 57 2HD2 ASN 57 20.151 11.209 20.773 403 2HD2 ASN 57 1HD2 ASN 57 21.495 10.167 20.764 404 H THR 58 H THR 58 23.808 7.904 16.975 405 HA THR 58 HA THR 58 24.475 8.976 14.443 406 HB THR 58 HB THR 58 25.322 6.336 15.686 407 HG1 THR 58 HG1 THR 58 26.993 7.391 16.550 408 1HG2 THR 58 3HG2 THR 58 25.728 6.319 13.283 409 2HG2 THR 58 2HG2 THR 58 26.612 7.837 13.393 410 3HG2 THR 58 1HG2 THR 58 27.251 6.385 14.158 411 H MET 59 H MET 59 22.627 6.084 15.307 412 HA MET 59 HA MET 59 22.298 4.988 12.706 413 1HB MET 59 2HB MET 59 20.111 4.750 14.741 414 2HB MET 59 1HB MET 59 20.537 3.633 13.468 415 1HG MET 59 2HG MET 59 22.566 3.011 14.750 416 2HG MET 59 1HG MET 59 22.125 4.163 16.002 417 1HE MET 59 2HE MET 59 19.512 4.183 16.878 418 2HE MET 59 1HE MET 59 18.621 3.433 15.568 419 3HE MET 59 3HE MET 59 18.626 2.701 17.182 420 H ILE 60 H ILE 60 19.933 6.869 14.562 421 HA ILE 60 HA ILE 60 18.067 7.179 12.436 422 HB ILE 60 HB ILE 60 18.309 8.841 14.977 423 1HG1 ILE 60 2HG1 ILE 60 16.514 6.480 14.344 424 2HG1 ILE 60 1HG1 ILE 60 18.043 6.321 15.178 425 1HG2 ILE 60 1HG2 ILE 60 16.020 8.538 13.014 426 2HG2 ILE 60 3HG2 ILE 60 15.905 9.284 14.608 427 3HG2 ILE 60 2HG2 ILE 60 16.924 10.013 13.372 428 1HD1 ILE 60 2HD1 ILE 60 17.053 8.137 16.798 429 2HD1 ILE 60 1HD1 ILE 60 15.514 7.615 16.105 430 3HD1 ILE 60 3HD1 ILE 60 16.540 6.452 16.935 431 H LYS 61 H LYS 61 20.387 9.525 13.685 432 HA LYS 61 HA LYS 61 19.971 11.709 11.944 433 1HB LYS 61 2HB LYS 61 21.410 11.546 13.991 434 2HB LYS 61 1HB LYS 61 22.598 10.682 13.028 435 1HG LYS 61 2HG LYS 61 22.234 12.908 11.496 436 2HG LYS 61 1HG LYS 61 21.933 13.574 13.102 437 1HD LYS 61 2HD LYS 61 24.370 12.034 12.215 438 2HD LYS 61 1HD LYS 61 24.293 13.759 12.561 439 1HE LYS 61 2HE LYS 61 23.500 13.022 14.933 440 2HE LYS 61 1HE LYS 61 24.117 11.442 14.497 441 1HZ LYS 61 3HZ LYS 61 26.295 12.545 14.037 442 2HZ LYS 61 2HZ LYS 61 25.635 13.985 14.662 443 3HZ LYS 61 1HZ LYS 61 25.801 12.615 15.661 444 H LYS 62 H LYS 62 21.911 8.805 11.487 445 HA LYS 62 HA LYS 62 23.124 9.415 8.987 446 1HB LYS 62 2HB LYS 62 23.958 7.587 10.365 447 2HB LYS 62 1HB LYS 62 22.415 6.781 10.319 448 1HG LYS 62 2HG LYS 62 23.288 7.085 7.608 449 2HG LYS 62 1HG LYS 62 24.651 6.485 8.552 450 1HD LYS 62 2HD LYS 62 22.735 4.937 9.606 451 2HD LYS 62 1HD LYS 62 22.022 5.191 8.021 452 1HE LYS 62 2HE LYS 62 24.831 4.137 8.503 453 2HE LYS 62 1HE LYS 62 23.426 3.134 8.173 454 1HZ LYS 62 2HZ LYS 62 23.160 4.352 6.048 455 2HZ LYS 62 1HZ LYS 62 24.610 5.180 6.370 456 3HZ LYS 62 3HZ LYS 62 24.626 3.508 6.156 457 H ILE 63 H ILE 63 20.164 7.633 9.771 458 HA ILE 63 HA ILE 63 19.252 7.070 7.146 459 HB ILE 63 HB ILE 63 17.592 7.629 9.630 460 1HG1 ILE 63 2HG1 ILE 63 19.198 5.679 9.843 461 2HG1 ILE 63 1HG1 ILE 63 17.507 5.283 10.060 462 1HG2 ILE 63 3HG2 ILE 63 16.267 7.776 7.544 463 2HG2 ILE 63 2HG2 ILE 63 16.695 6.107 7.186 464 3HG2 ILE 63 1HG2 ILE 63 15.747 6.484 8.620 465 1HD1 ILE 63 3HD1 ILE 63 18.468 4.999 7.285 466 2HD1 ILE 63 2HD1 ILE 63 19.248 3.921 8.441 467 3HD1 ILE 63 1HD1 ILE 63 17.492 3.903 8.263 468 H VAL 64 H VAL 64 18.768 9.970 9.187 469 HA VAL 64 HA VAL 64 17.011 11.382 7.443 470 HB VAL 64 HB VAL 64 18.998 12.482 9.445 471 1HG1 VAL 64 2HG1 VAL 64 18.079 14.233 7.971 472 2HG1 VAL 64 1HG1 VAL 64 16.444 13.725 8.379 473 3HG1 VAL 64 3HG1 VAL 64 17.484 14.416 9.618 474 1HG2 VAL 64 1HG2 VAL 64 16.936 10.800 10.110 475 2HG2 VAL 64 3HG2 VAL 64 17.614 12.027 11.174 476 3HG2 VAL 64 2HG2 VAL 64 16.154 12.373 10.251 477 H THR 65 H THR 65 20.518 11.669 7.845 478 HA THR 65 HA THR 65 21.031 13.556 5.802 479 HB THR 65 HB THR 65 22.915 11.287 6.520 480 HG1 THR 65 HG1 THR 65 22.568 13.777 7.851 481 1HG2 THR 65 3HG2 THR 65 23.328 14.077 5.449 482 2HG2 THR 65 2HG2 THR 65 24.628 13.126 6.165 483 3HG2 THR 65 1HG2 THR 65 23.812 12.548 4.714 484 H LEU 66 H LEU 66 20.700 10.055 5.643 485 HA LEU 66 HA LEU 66 21.494 9.570 2.968 486 1HB LEU 66 2HB LEU 66 20.053 8.113 5.077 487 2HB LEU 66 1HB LEU 66 19.511 7.706 3.468 488 HG LEU 66 HG LEU 66 21.271 6.252 4.470 489 1HD1 LEU 66 3HD1 LEU 66 20.880 6.296 2.047 490 2HD1 LEU 66 2HD1 LEU 66 22.090 7.573 1.875 491 3HD1 LEU 66 1HD1 LEU 66 22.567 5.971 2.438 492 1HD2 LEU 66 3HD2 LEU 66 22.640 8.122 5.472 493 2HD2 LEU 66 2HD2 LEU 66 23.578 6.948 4.553 494 3HD2 LEU 66 1HD2 LEU 66 23.189 8.511 3.843 495 H ASN 67 H ASN 67 18.286 10.283 4.317 496 HA ASN 67 HA ASN 67 16.332 11.011 3.387 497 1HB ASN 67 2HB ASN 67 18.151 12.711 2.527 498 2HB ASN 67 1HB ASN 67 17.864 11.965 0.967 499 1HD2 ASN 67 2HD2 ASN 67 14.792 13.672 0.501 500 2HD2 ASN 67 1HD2 ASN 67 15.875 12.536 -0.150 501 HA PRO 68 HA PRO 68 16.157 7.201 0.670 502 1HB PRO 68 2HB PRO 68 14.374 5.822 2.201 503 2HB PRO 68 1HB PRO 68 16.127 5.795 2.468 504 1HG PRO 68 2HG PRO 68 14.029 7.253 3.997 505 2HG PRO 68 1HG PRO 68 15.542 6.534 4.581 506 1HD PRO 68 2HD PRO 68 15.174 9.237 4.110 507 2HD PRO 68 1HD PRO 68 16.750 8.425 4.162 508 HA PRO 69 HA PRO 69 12.232 8.373 -1.185 509 1HB PRO 69 2HB PRO 69 11.403 6.096 -2.415 510 2HB PRO 69 1HB PRO 69 12.764 7.073 -2.978 511 1HG PRO 69 2HG PRO 69 12.823 4.434 -1.643 512 2HG PRO 69 1HG PRO 69 14.023 5.203 -2.687 513 1HD PRO 69 2HD PRO 69 14.123 5.040 0.139 514 2HD PRO 69 1HD PRO 69 15.214 5.959 -0.933 515 H ASN 70 H ASN 70 9.921 8.260 -0.996 516 HA ASN 70 HA ASN 70 8.954 7.263 1.512 517 1HB ASN 70 2HB ASN 70 6.574 7.760 0.188 518 2HB ASN 70 1HB ASN 70 7.419 8.893 1.205 519 1HD2 ASN 70 2HD2 ASN 70 7.699 9.428 -2.869 520 2HD2 ASN 70 1HD2 ASN 70 7.574 7.834 -2.306 521 H CYS 71 H CYS 71 8.380 5.362 1.989 522 HA CYS 71 HA CYS 71 6.651 3.615 0.576 523 1HB CYS 71 2HB CYS 71 8.051 2.396 -0.698 524 2HB CYS 71 1HB CYS 71 9.300 3.560 -0.311 525 H ASP 72 H ASP 72 6.653 1.379 1.690 526 HA ASP 72 HA ASP 72 7.251 1.556 4.596 527 1HB ASP 72 2HB ASP 72 4.735 1.160 3.143 528 2HB ASP 72 1HB ASP 72 4.995 0.013 4.438 529 H LEU 73 H LEU 73 8.159 -0.198 5.527 530 HA LEU 73 HA LEU 73 8.086 -2.761 4.108 531 1HB LEU 73 2HB LEU 73 10.559 -3.055 5.235 532 2HB LEU 73 1HB LEU 73 10.234 -2.727 3.568 533 HG LEU 73 HG LEU 73 12.070 -1.463 4.572 534 1HD1 LEU 73 2HD1 LEU 73 10.871 -0.561 2.613 535 2HD1 LEU 73 1HD1 LEU 73 9.964 0.493 3.697 536 3HD1 LEU 73 3HD1 LEU 73 11.719 0.629 3.599 537 1HD2 LEU 73 3HD2 LEU 73 10.476 -1.083 6.754 538 2HD2 LEU 73 2HD2 LEU 73 11.959 -0.194 6.406 539 3HD2 LEU 73 1HD2 LEU 73 10.400 0.500 5.971 540 H THR 74 H THR 74 7.509 -4.386 5.180 541 HA THR 74 HA THR 74 7.138 -4.218 8.076 542 HB THR 74 HB THR 74 5.143 -4.994 7.655 543 HG1 THR 74 HG1 THR 74 4.922 -7.041 7.802 544 1HG2 THR 74 3HG2 THR 74 5.325 -4.290 5.262 545 2HG2 THR 74 2HG2 THR 74 5.779 -5.940 4.860 546 3HG2 THR 74 1HG2 THR 74 4.200 -5.607 5.562 547 H VAL 75 H VAL 75 7.423 -5.987 9.485 548 HA VAL 75 HA VAL 75 9.842 -7.581 8.861 549 HB VAL 75 HB VAL 75 8.951 -6.227 11.375 550 1HG1 VAL 75 3HG1 VAL 75 8.887 -8.686 12.011 551 2HG1 VAL 75 2HG1 VAL 75 10.618 -8.723 11.675 552 3HG1 VAL 75 1HG1 VAL 75 9.987 -7.670 12.939 553 1HG2 VAL 75 2HG2 VAL 75 11.058 -5.842 9.822 554 2HG2 VAL 75 1HG2 VAL 75 11.179 -5.649 11.574 555 3HG2 VAL 75 3HG2 VAL 75 11.737 -7.125 10.800 556 HA PRO 76 HA PRO 76 7.390 -11.225 8.811 557 1HB PRO 76 2HB PRO 76 9.279 -13.110 9.312 558 2HB PRO 76 1HB PRO 76 9.085 -12.280 7.756 559 1HG PRO 76 2HG PRO 76 11.120 -11.795 9.890 560 2HG PRO 76 1HG PRO 76 11.268 -11.667 8.125 561 1HD PRO 76 2HD PRO 76 10.960 -9.475 9.753 562 2HD PRO 76 1HD PRO 76 10.476 -9.524 8.047 563 H THR 77 H THR 77 9.396 -10.929 11.762 564 HA THR 77 HA THR 77 7.601 -12.740 13.185 565 HB THR 77 HB THR 77 10.012 -12.936 13.550 566 HG1 THR 77 HG1 THR 77 8.709 -13.594 15.239 567 1HG2 THR 77 3HG2 THR 77 10.636 -10.513 13.387 568 2HG2 THR 77 2HG2 THR 77 9.947 -10.275 14.992 569 3HG2 THR 77 1HG2 THR 77 11.329 -11.340 14.779 570 H SER 78 H SER 78 8.541 -9.313 13.780 571 HA SER 78 HA SER 78 6.611 -8.766 15.720 572 1HB SER 78 2HB SER 78 8.278 -6.952 13.957 573 2HB SER 78 1HB SER 78 6.950 -6.220 14.780 574 HG SER 78 HG SER 78 8.143 -6.288 16.371 575 H GLY 79 H GLY 79 6.021 -8.937 12.268 576 1HA GLY 79 2HA GLY 79 4.008 -8.856 11.078 577 2HA GLY 79 1HA GLY 79 3.184 -8.924 12.634 578 H LEU 80 H LEU 80 5.499 -6.362 12.124 579 HA LEU 80 HA LEU 80 3.330 -4.382 11.734 580 1HB LEU 80 2HB LEU 80 5.002 -4.821 13.947 581 2HB LEU 80 1HB LEU 80 5.681 -3.422 13.151 582 HG LEU 80 HG LEU 80 4.052 -2.925 14.970 583 1HD1 LEU 80 1HD1 LEU 80 4.440 -1.528 12.723 584 2HD1 LEU 80 3HD1 LEU 80 2.705 -1.824 12.584 585 3HD1 LEU 80 2HD1 LEU 80 3.350 -1.018 14.009 586 1HD2 LEU 80 1HD2 LEU 80 2.466 -4.885 14.191 587 2HD2 LEU 80 3HD2 LEU 80 1.779 -3.409 14.865 588 3HD2 LEU 80 2HD2 LEU 80 1.793 -3.654 13.123 589 H VAL 81 H VAL 81 4.003 -2.460 10.703 590 HA VAL 81 HA VAL 81 6.155 -2.779 8.673 591 HB VAL 81 HB VAL 81 3.675 -1.084 8.594 592 1HG1 VAL 81 3HG1 VAL 81 5.568 -0.296 7.152 593 2HG1 VAL 81 2HG1 VAL 81 5.519 -1.831 6.294 594 3HG1 VAL 81 1HG1 VAL 81 4.140 -0.740 6.225 595 1HG2 VAL 81 3HG2 VAL 81 3.318 -3.665 8.439 596 2HG2 VAL 81 2HG2 VAL 81 2.564 -2.636 7.230 597 3HG2 VAL 81 1HG2 VAL 81 4.035 -3.507 6.835 598 H LEU 82 H LEU 82 7.620 -1.133 8.500 599 HA LEU 82 HA LEU 82 7.352 1.337 10.120 600 1HB LEU 82 2HB LEU 82 9.114 -0.176 11.037 601 2HB LEU 82 1HB LEU 82 9.919 -0.149 9.479 602 HG LEU 82 HG LEU 82 10.183 2.379 9.818 603 1HD1 LEU 82 1HD1 LEU 82 9.287 1.627 12.619 604 2HD1 LEU 82 3HD1 LEU 82 10.139 3.111 12.208 605 3HD1 LEU 82 2HD1 LEU 82 8.534 2.820 11.556 606 1HD2 LEU 82 3HD2 LEU 82 11.957 0.644 10.234 607 2HD2 LEU 82 2HD2 LEU 82 12.121 2.109 11.201 608 3HD2 LEU 82 1HD2 LEU 82 11.469 0.644 11.931 609 H ASN 83 H ASN 83 7.806 3.179 9.180 610 HA ASN 83 HA ASN 83 8.246 3.253 6.249 611 1HB ASN 83 2HB ASN 83 6.135 4.240 7.377 612 2HB ASN 83 1HB ASN 83 7.183 5.478 8.044 613 1HD2 ASN 83 2HD2 ASN 83 5.767 5.906 4.311 614 2HD2 ASN 83 1HD2 ASN 83 5.175 4.713 5.362 615 H VAL 84 H VAL 84 10.495 3.236 6.159 616 HA VAL 84 HA VAL 84 12.199 4.596 7.995 617 HB VAL 84 HB VAL 84 13.006 3.702 5.198 618 1HG1 VAL 84 2HG1 VAL 84 14.613 4.182 7.737 619 2HG1 VAL 84 1HG1 VAL 84 15.259 3.533 6.236 620 3HG1 VAL 84 3HG1 VAL 84 14.652 5.183 6.291 621 1HG2 VAL 84 3HG2 VAL 84 12.007 1.867 6.627 622 2HG2 VAL 84 2HG2 VAL 84 13.703 1.614 6.222 623 3HG2 VAL 84 1HG2 VAL 84 13.259 2.200 7.823 624 H TYR 85 H TYR 85 10.593 5.902 5.168 625 HA TYR 85 HA TYR 85 12.332 8.222 4.926 626 1HB TYR 85 2HB TYR 85 10.733 7.570 3.059 627 2HB TYR 85 1HB TYR 85 9.391 7.987 4.091 628 HD1 TYR 85 HD1 TYR 85 12.648 9.561 2.993 629 HD2 TYR 85 HD2 TYR 85 8.491 10.137 3.894 630 HE1 TYR 85 HE1 TYR 85 12.856 11.947 2.392 631 HE2 TYR 85 HE2 TYR 85 8.702 12.529 3.289 632 HH TYR 85 HH TYR 85 10.930 14.248 3.280 633 H SER 86 H SER 86 9.027 7.759 6.172 634 HA SER 86 HA SER 86 8.978 10.232 7.606 635 1HB SER 86 2HB SER 86 6.980 8.508 6.905 636 2HB SER 86 1HB SER 86 7.126 8.127 8.612 637 HG SER 86 HG SER 86 5.761 10.072 7.678 638 H TYR 87 H TYR 87 10.216 7.148 8.606 639 HA TYR 87 HA TYR 87 10.281 7.228 11.375 640 1HB TYR 87 2HB TYR 87 11.291 5.482 9.899 641 2HB TYR 87 1HB TYR 87 12.586 6.558 9.514 642 HD1 TYR 87 HD2 TYR 87 10.885 5.536 12.721 643 HD2 TYR 87 HD1 TYR 87 14.537 6.022 10.534 644 HE1 TYR 87 HE2 TYR 87 12.179 4.774 14.719 645 HE2 TYR 87 HE1 TYR 87 15.842 5.262 12.528 646 HH TYR 87 HH TYR 87 14.831 5.286 15.468 647 H ALA 88 H ALA 88 12.647 8.692 9.203 648 HA ALA 88 HA ALA 88 14.251 10.111 11.066 649 1HB ALA 88 1HB ALA 88 13.770 10.200 8.118 650 2HB ALA 88 3HB ALA 88 14.835 11.389 8.876 651 3HB ALA 88 2HB ALA 88 15.199 9.662 9.002 652 H ASN 89 H ASN 89 11.422 11.113 9.223 653 HA ASN 89 HA ASN 89 11.478 13.918 10.026 654 1HB ASN 89 2HB ASN 89 9.515 12.269 8.424 655 2HB ASN 89 1HB ASN 89 9.285 13.976 8.777 656 1HD2 ASN 89 2HD2 ASN 89 12.207 12.914 6.106 657 2HD2 ASN 89 1HD2 ASN 89 11.573 11.706 7.110 658 H GLY 90 H GLY 90 10.027 11.059 11.409 659 1HA GLY 90 2HA GLY 90 8.096 12.637 12.999 660 2HA GLY 90 1HA GLY 90 8.030 10.904 12.734 661 H PHE 91 H PHE 91 10.722 10.224 13.447 662 HA PHE 91 HA PHE 91 10.620 9.898 16.250 663 1HB PHE 91 2HB PHE 91 12.146 8.729 14.539 664 2HB PHE 91 1HB PHE 91 13.192 10.115 14.661 665 HD1 PHE 91 HD1 PHE 91 14.311 10.687 16.804 666 HD2 PHE 91 HD2 PHE 91 12.022 7.082 16.356 667 HE1 PHE 91 HE1 PHE 91 15.367 9.773 18.847 668 HE2 PHE 91 HE2 PHE 91 13.079 6.165 18.400 669 HZ PHE 91 HZ PHE 91 14.748 7.503 19.654 670 H SER 92 H SER 92 12.360 12.267 14.295 671 HA SER 92 HA SER 92 13.725 13.722 16.240 672 1HB SER 92 2HB SER 92 13.626 15.659 14.576 673 2HB SER 92 1HB SER 92 14.273 14.149 13.981 674 HG SER 92 HG SER 92 12.088 15.563 13.181 675 H ASN 93 H ASN 93 10.477 14.745 14.984 676 HA ASN 93 HA ASN 93 10.221 16.781 16.960 677 1HB ASN 93 2HB ASN 93 7.686 16.634 16.489 678 2HB ASN 93 1HB ASN 93 8.727 17.068 15.152 679 1HD2 ASN 93 2HD2 ASN 93 6.559 13.631 14.905 680 2HD2 ASN 93 1HD2 ASN 93 6.516 14.526 16.348 681 H LYS 94 H LYS 94 9.345 13.346 17.044 682 HA LYS 94 HA LYS 94 7.917 13.396 19.501 683 1HB LYS 94 2HB LYS 94 9.531 11.189 18.178 684 2HB LYS 94 1HB LYS 94 8.672 10.947 19.700 685 1HG LYS 94 2HG LYS 94 6.571 11.746 18.556 686 2HG LYS 94 1HG LYS 94 7.454 11.736 17.040 687 1HD LYS 94 2HD LYS 94 6.721 9.618 16.852 688 2HD LYS 94 1HD LYS 94 7.999 9.224 18.002 689 1HE LYS 94 2HE LYS 94 6.344 9.559 19.853 690 2HE LYS 94 1HE LYS 94 5.091 9.801 18.638 691 1HZ LYS 94 1HZ LYS 94 5.782 7.559 17.727 692 2HZ LYS 94 3HZ LYS 94 6.680 7.343 19.146 693 3HZ LYS 94 2HZ LYS 94 4.996 7.532 19.232 694 H CYS 95 H CYS 95 11.371 13.090 18.810 695 HA CYS 95 HA CYS 95 12.282 12.729 21.493 696 1HB CYS 95 2HB CYS 95 13.567 13.134 18.893 697 2HB CYS 95 1HB CYS 95 14.366 14.071 20.145 698 H SER 96 H SER 96 11.860 15.672 19.487 699 HA SER 96 HA SER 96 12.909 17.578 21.294 700 1HB SER 96 2HB SER 96 10.753 17.776 19.175 701 2HB SER 96 1HB SER 96 11.106 19.138 20.215 702 HG SER 96 HG SER 96 12.525 19.445 18.616 703 H SER 97 H SER 97 9.660 16.224 21.021 704 HA SER 97 HA SER 97 8.481 17.687 23.222 705 1HB SER 97 2HB SER 97 7.455 15.133 21.954 706 2HB SER 97 1HB SER 97 6.549 16.282 22.911 707 HG SER 97 HG SER 97 6.181 16.667 20.714 708 H LEU 98 HN LEU 98 10.119 14.585 22.980 709 HA LEU 98 HA LEU 98 9.266 13.404 25.420 710 1HB LEU 98 2HB LEU 98 10.242 12.223 23.450 711 2HB LEU 98 1HB LEU 98 11.796 12.913 23.864 712 HG LEU 98 HG LEU 98 11.505 11.769 26.159 713 1HD1 LEU 98 3HD1 LEU 98 9.366 10.338 24.552 714 2HD1 LEU 98 2HD1 LEU 98 10.112 9.664 26.001 715 3HD1 LEU 98 1HD1 LEU 98 9.178 11.153 26.106 716 1HD2 LEU 98 2HD2 LEU 98 13.059 11.048 24.366 717 2HD2 LEU 98 1HD2 LEU 98 12.411 9.678 25.273 718 3HD2 LEU 98 3HD2 LEU 98 11.769 10.063 23.676 No H/Q in entry = 718 Start of MODEL 15 1 1H THR 1 2H THR 1 2.874 2.971 -3.688 2 2H THR 1 1H THR 1 1.408 2.149 -3.471 3 3H THR 1 3H THR 1 1.514 3.797 -3.096 4 HA THR 1 HA THR 1 3.078 3.346 -1.360 5 HB THR 1 HB THR 1 0.535 3.336 -1.206 6 HG1 THR 1 HG1 THR 1 1.825 2.238 1.050 7 1HG2 THR 1 1HG2 THR 1 0.086 1.017 -1.855 8 2HG2 THR 1 3HG2 THR 1 0.944 0.427 -0.427 9 3HG2 THR 1 2HG2 THR 1 -0.536 1.370 -0.247 10 H ALA 2 H ALA 2 4.078 1.767 0.111 11 HA ALA 2 HA ALA 2 5.307 -0.058 0.695 12 1HB ALA 2 3HB ALA 2 3.256 -1.399 -0.041 13 2HB ALA 2 2HB ALA 2 4.113 -1.687 -1.555 14 3HB ALA 2 1HB ALA 2 4.804 -2.234 -0.028 15 H CYS 3 H CYS 3 7.378 -0.982 0.159 16 HA CYS 3 HA CYS 3 8.560 0.199 -2.266 17 1HB CYS 3 2HB CYS 3 10.266 -1.553 -0.574 18 2HB CYS 3 1HB CYS 3 10.700 -0.151 -1.490 19 H THR 4 H THR 4 9.361 -0.863 -3.952 20 HA THR 4 HA THR 4 9.268 -3.817 -4.085 21 HB THR 4 HB THR 4 8.140 -1.864 -6.115 22 HG1 THR 4 HG1 THR 4 6.883 -3.523 -4.208 23 1HG2 THR 4 3HG2 THR 4 8.484 -4.836 -6.169 24 2HG2 THR 4 2HG2 THR 4 7.305 -3.994 -7.186 25 3HG2 THR 4 1HG2 THR 4 9.029 -3.629 -7.338 26 H ALA 5 H ALA 5 11.029 -4.646 -4.975 27 HA ALA 5 HA ALA 5 13.199 -4.852 -5.555 28 1HB ALA 5 2HB ALA 5 11.825 -3.698 -7.966 29 2HB ALA 5 1HB ALA 5 13.489 -4.290 -8.037 30 3HB ALA 5 3HB ALA 5 12.178 -5.385 -7.590 31 H THR 6 H THR 6 13.045 -1.826 -7.422 32 HA THR 6 HA THR 6 15.573 -0.930 -6.586 33 HB THR 6 HB THR 6 13.270 0.741 -7.699 34 HG1 THR 6 HG1 THR 6 13.685 -0.239 -9.501 35 1HG2 THR 6 3HG2 THR 6 16.254 1.241 -7.589 36 2HG2 THR 6 2HG2 THR 6 15.167 2.117 -8.659 37 3HG2 THR 6 1HG2 THR 6 14.973 2.245 -6.916 38 H GLN 7 H GLN 7 12.349 0.217 -5.453 39 HA GLN 7 HA GLN 7 13.367 1.947 -3.417 40 1HB GLN 7 2HB GLN 7 10.691 0.747 -4.019 41 2HB GLN 7 1HB GLN 7 10.944 1.374 -2.395 42 1HG GLN 7 2HG GLN 7 11.458 3.555 -3.211 43 2HG GLN 7 1HG GLN 7 11.542 3.000 -4.880 44 1HE2 GLN 7 2HE2 GLN 7 7.842 2.590 -4.944 45 2HE2 GLN 7 1HE2 GLN 7 9.172 1.633 -5.374 46 H GLN 8 H GLN 8 12.541 -1.479 -3.362 47 HA GLN 8 HA GLN 8 12.906 -1.860 -0.540 48 1HB GLN 8 2HB GLN 8 11.557 -3.405 -2.012 49 2HB GLN 8 1HB GLN 8 13.067 -3.949 -2.733 50 1HG GLN 8 2HG GLN 8 13.614 -5.225 -0.940 51 2HG GLN 8 1HG GLN 8 12.989 -4.068 0.224 52 1HE2 GLN 8 2HE2 GLN 8 10.139 -6.073 0.734 53 2HE2 GLN 8 1HE2 GLN 8 11.293 -5.030 1.408 54 H THR 9 H THR 9 15.179 -2.067 -3.243 55 HA THR 9 HA THR 9 17.320 -3.184 -1.686 56 HB THR 9 HB THR 9 18.706 -2.377 -3.639 57 HG1 THR 9 HG1 THR 9 17.511 -0.821 -4.618 58 1HG2 THR 9 2HG2 THR 9 16.468 -4.343 -3.941 59 2HG2 THR 9 1HG2 THR 9 17.665 -4.106 -5.217 60 3HG2 THR 9 3HG2 THR 9 18.177 -4.642 -3.617 61 H ALA 10 H ALA 10 16.244 0.083 -2.530 62 HA ALA 10 HA ALA 10 18.548 1.455 -1.492 63 1HB ALA 10 3HB ALA 10 15.676 2.406 -1.896 64 2HB ALA 10 2HB ALA 10 17.036 3.472 -1.552 65 3HB ALA 10 1HB ALA 10 16.987 2.562 -3.063 66 H ALA 11 H ALA 11 15.340 0.681 -0.237 67 HA ALA 11 HA ALA 11 15.572 1.691 2.412 68 1HB ALA 11 3HB ALA 11 13.445 0.871 1.191 69 2HB ALA 11 2HB ALA 11 13.967 -0.762 1.609 70 3HB ALA 11 1HB ALA 11 13.592 0.397 2.886 71 H TYR 12 H TYR 12 16.309 -1.480 1.028 72 HA TYR 12 HA TYR 12 17.189 -2.674 3.479 73 1HB TYR 12 2HB TYR 12 17.340 -3.478 0.599 74 2HB TYR 12 1HB TYR 12 18.582 -4.148 1.638 75 HD1 TYR 12 HD2 TYR 12 17.257 -4.825 4.158 76 HD2 TYR 12 HD1 TYR 12 15.740 -4.933 0.148 77 HE1 TYR 12 HE2 TYR 12 15.595 -6.536 4.833 78 HE2 TYR 12 HE1 TYR 12 14.072 -6.646 0.811 79 HH TYR 12 HH TYR 12 14.240 -8.501 3.298 80 H LYS 13 H LYS 13 19.362 -1.969 0.692 81 HA LYS 13 HA LYS 13 21.808 -1.970 1.601 82 1HB LYS 13 2HB LYS 13 21.081 -1.060 -0.587 83 2HB LYS 13 1HB LYS 13 20.751 0.479 0.188 84 1HG LYS 13 2HG LYS 13 23.416 -0.241 0.898 85 2HG LYS 13 1HG LYS 13 23.233 -0.592 -0.811 86 1HD LYS 13 2HD LYS 13 23.549 1.583 -1.241 87 2HD LYS 13 1HD LYS 13 22.010 1.921 -0.476 88 1HE LYS 13 2HE LYS 13 23.189 3.190 0.954 89 2HE LYS 13 1HE LYS 13 23.693 1.686 1.703 90 1HZ LYS 13 2HZ LYS 13 25.630 1.708 0.121 91 2HZ LYS 13 1HZ LYS 13 25.150 3.270 -0.356 92 3HZ LYS 13 3HZ LYS 13 25.617 2.982 1.241 93 H THR 14 H THR 14 19.793 0.924 2.396 94 HA THR 14 HA THR 14 21.825 2.066 4.117 95 HB THR 14 HB THR 14 18.881 2.687 3.697 96 HG1 THR 14 HG1 THR 14 19.899 3.328 1.925 97 1HG2 THR 14 2HG2 THR 14 20.761 3.777 5.673 98 2HG2 THR 14 1HG2 THR 14 20.029 5.009 4.650 99 3HG2 THR 14 3HG2 THR 14 19.003 3.915 5.574 100 H LEU 15 H LEU 15 18.656 0.609 4.895 101 HA LEU 15 HA LEU 15 18.887 0.447 7.718 102 1HB LEU 15 2HB LEU 15 16.882 0.197 6.109 103 2HB LEU 15 1HB LEU 15 17.355 -1.483 6.012 104 HG LEU 15 HG LEU 15 17.298 -1.267 8.672 105 1HD1 LEU 15 1HD1 LEU 15 15.693 1.040 7.636 106 2HD1 LEU 15 3HD1 LEU 15 15.024 0.121 8.981 107 3HD1 LEU 15 2HD1 LEU 15 16.595 0.900 9.144 108 1HD2 LEU 15 3HD2 LEU 15 15.185 -1.835 6.638 109 2HD2 LEU 15 2HD2 LEU 15 15.946 -2.926 7.791 110 3HD2 LEU 15 1HD2 LEU 15 14.701 -1.804 8.331 111 H VAL 16 H VAL 16 20.348 -1.590 5.313 112 HA VAL 16 HA VAL 16 20.854 -3.912 7.004 113 HB VAL 16 HB VAL 16 21.561 -3.232 4.098 114 1HG1 VAL 16 1HG1 VAL 16 21.948 -5.846 5.570 115 2HG1 VAL 16 3HG1 VAL 16 22.181 -5.591 3.845 116 3HG1 VAL 16 2HG1 VAL 16 23.249 -4.789 4.994 117 1HG2 VAL 16 2HG2 VAL 16 19.113 -3.853 4.787 118 2HG2 VAL 16 1HG2 VAL 16 19.851 -4.674 3.415 119 3HG2 VAL 16 3HG2 VAL 16 19.770 -5.476 4.977 120 H SER 17 H SER 17 22.633 -1.235 5.354 121 HA SER 17 HA SER 17 25.211 -1.900 6.286 122 1HB SER 17 2HB SER 17 25.936 0.145 5.448 123 2HB SER 17 1HB SER 17 24.420 0.032 4.609 124 HG SER 17 HG SER 17 23.692 1.698 5.832 125 H ILE 18 H ILE 18 22.564 -0.234 7.868 126 HA ILE 18 HA ILE 18 23.895 0.711 10.167 127 HB ILE 18 HB ILE 18 21.303 0.672 9.150 128 1HG1 ILE 18 2HG1 ILE 18 22.480 2.546 10.232 129 2HG1 ILE 18 1HG1 ILE 18 20.823 2.367 10.783 130 1HG2 ILE 18 3HG2 ILE 18 20.795 -1.366 10.487 131 2HG2 ILE 18 2HG2 ILE 18 21.031 -0.399 11.942 132 3HG2 ILE 18 1HG2 ILE 18 19.758 0.023 10.796 133 1HD1 ILE 18 1HD1 ILE 18 23.137 1.152 12.300 134 2HD1 ILE 18 3HD1 ILE 18 22.629 2.819 12.571 135 3HD1 ILE 18 2HD1 ILE 18 21.511 1.485 12.879 136 H LEU 19 H LEU 19 22.497 -2.513 9.577 137 HA LEU 19 HA LEU 19 22.897 -3.671 12.152 138 1HB LEU 19 2HB LEU 19 22.827 -4.944 9.406 139 2HB LEU 19 1HB LEU 19 22.918 -5.872 10.892 140 HG LEU 19 HG LEU 19 20.720 -3.844 10.485 141 1HD1 LEU 19 2HD1 LEU 19 20.951 -5.600 8.573 142 2HD1 LEU 19 1HD1 LEU 19 20.417 -6.758 9.787 143 3HD1 LEU 19 3HD1 LEU 19 19.382 -5.405 9.343 144 1HD2 LEU 19 3HD2 LEU 19 21.320 -5.120 12.715 145 2HD2 LEU 19 2HD2 LEU 19 19.639 -5.030 12.205 146 3HD2 LEU 19 1HD2 LEU 19 20.568 -6.498 11.909 147 H SER 20 H SER 20 24.975 -3.632 9.254 148 HA SER 20 HA SER 20 27.148 -5.144 10.446 149 1HB SER 20 2HB SER 20 27.154 -3.463 7.910 150 2HB SER 20 1HB SER 20 28.380 -4.606 8.408 151 HG SER 20 HG SER 20 25.797 -5.024 7.409 152 H ASP 21 H ASP 21 26.230 -1.841 10.625 153 HA ASP 21 HA ASP 21 28.808 -0.597 10.956 154 1HB ASP 21 2HB ASP 21 26.751 0.403 9.978 155 2HB ASP 21 1HB ASP 21 26.033 0.419 11.560 156 H ALA 22 H ALA 22 29.611 0.385 12.855 157 HA ALA 22 HA ALA 22 29.441 -1.069 15.307 158 1HB ALA 22 3HB ALA 22 31.457 0.223 14.619 159 2HB ALA 22 2HB ALA 22 30.570 1.716 14.930 160 3HB ALA 22 1HB ALA 22 30.911 0.601 16.251 161 H SER 23 H SER 23 27.716 1.783 14.207 162 HA SER 23 HA SER 23 26.867 3.024 16.555 163 1HB SER 23 2HB SER 23 26.635 3.764 14.157 164 2HB SER 23 1HB SER 23 25.271 2.676 14.020 165 HG SER 23 HG SER 23 24.330 4.459 14.622 166 H PHE 24 H PHE 24 25.054 0.519 14.715 167 HA PHE 24 HA PHE 24 22.901 0.261 16.567 168 1HB PHE 24 2HB PHE 24 22.930 -0.570 14.153 169 2HB PHE 24 1HB PHE 24 23.914 -1.903 14.685 170 HD1 PHE 24 HD1 PHE 24 20.580 -0.263 15.272 171 HD2 PHE 24 HD2 PHE 24 22.924 -3.849 15.580 172 HE1 PHE 24 HE1 PHE 24 18.550 -1.538 15.903 173 HE2 PHE 24 HE2 PHE 24 20.894 -5.118 16.209 174 HZ PHE 24 HZ PHE 24 18.704 -3.969 16.372 175 H ASN 25 H ASN 25 26.055 -1.402 16.482 176 HA ASN 25 HA ASN 25 25.521 -3.341 18.489 177 1HB ASN 25 2HB ASN 25 27.743 -2.765 17.007 178 2HB ASN 25 1HB ASN 25 28.221 -2.129 18.568 179 1HD2 ASN 25 2HD2 ASN 25 29.129 -5.373 19.604 180 2HD2 ASN 25 1HD2 ASN 25 29.537 -3.728 19.534 181 H GLN 26 H GLN 26 26.672 -0.014 18.719 182 HA GLN 26 HA GLN 26 27.051 -0.033 21.534 183 1HB GLN 26 2HB GLN 26 26.721 2.273 19.617 184 2HB GLN 26 1HB GLN 26 27.061 2.506 21.325 185 1HG GLN 26 2HG GLN 26 28.840 0.981 19.390 186 2HG GLN 26 1HG GLN 26 29.043 2.678 19.794 187 1HE2 GLN 26 2HE2 GLN 26 30.241 -0.162 22.453 188 2HE2 GLN 26 1HE2 GLN 26 29.386 -0.616 21.062 189 H CYS 27 H CYS 27 24.469 1.335 19.524 190 HA CYS 27 HA CYS 27 22.695 2.331 21.464 191 1HB CYS 27 2HB CYS 27 22.498 2.405 18.875 192 2HB CYS 27 1HB CYS 27 21.721 0.852 19.008 193 H SER 28 H SER 28 22.859 -0.896 20.060 194 HA SER 28 HA SER 28 20.772 -2.208 21.500 195 1HB SER 28 2HB SER 28 22.143 -3.059 19.414 196 2HB SER 28 1HB SER 28 23.305 -3.609 20.601 197 HG SER 28 HG SER 28 21.918 -5.144 21.200 198 H THR 29 H THR 29 24.243 -1.766 22.167 199 HA THR 29 HA THR 29 24.370 -3.392 24.502 200 HB THR 29 HB THR 29 26.108 -1.180 23.375 201 HG1 THR 29 HG1 THR 29 26.465 -3.003 22.295 202 1HG2 THR 29 1HG2 THR 29 26.404 -2.578 26.013 203 2HG2 THR 29 3HG2 THR 29 27.831 -2.080 25.100 204 3HG2 THR 29 2HG2 THR 29 26.645 -0.881 25.608 205 H ASP 30 H ASP 30 23.942 0.098 24.118 206 HA ASP 30 HA ASP 30 23.670 0.856 26.829 207 1HB ASP 30 2HB ASP 30 22.624 2.146 24.319 208 2HB ASP 30 1HB ASP 30 22.316 2.814 25.912 209 H SER 31 H SER 31 21.122 -0.118 24.579 210 HA SER 31 HA SER 31 19.171 -0.128 26.849 211 1HB SER 31 2HB SER 31 18.421 0.189 23.957 212 2HB SER 31 1HB SER 31 17.393 0.313 25.362 213 HG SER 31 HG SER 31 19.270 2.071 24.273 214 H GLY 32 H GLY 32 19.716 -1.772 23.693 215 1HA GLY 32 2HA GLY 32 19.728 -4.186 23.447 216 2HA GLY 32 1HA GLY 32 18.738 -4.290 24.895 217 H TYR 33 H TYR 33 18.334 -2.364 21.933 218 HA TYR 33 HA TYR 33 15.619 -3.535 21.632 219 1HB TYR 33 2HB TYR 33 15.422 -1.149 22.110 220 2HB TYR 33 1HB TYR 33 16.531 -0.763 20.802 221 HD1 TYR 33 HD2 TYR 33 13.349 -2.960 21.012 222 HD2 TYR 33 HD1 TYR 33 15.521 0.214 19.087 223 HE1 TYR 33 HE2 TYR 33 11.534 -2.711 19.356 224 HE2 TYR 33 HE1 TYR 33 13.704 0.455 17.440 225 HH TYR 33 HH TYR 33 10.981 -0.193 17.610 226 H SER 34 H SER 34 15.305 -4.771 19.960 227 HA SER 34 HA SER 34 17.203 -4.823 17.716 228 1HB SER 34 2HB SER 34 15.621 -6.930 17.173 229 2HB SER 34 1HB SER 34 16.957 -7.058 18.286 230 HG SER 34 HG SER 34 14.623 -7.782 18.815 231 H MET 35 H MET 35 16.522 -2.933 16.760 232 HA MET 35 HA MET 35 13.838 -2.307 15.970 233 1HB MET 35 2HB MET 35 15.408 -0.516 16.202 234 2HB MET 35 1HB MET 35 16.561 -1.301 15.143 235 1HG MET 35 2HG MET 35 15.548 0.573 13.997 236 2HG MET 35 1HG MET 35 14.989 -0.910 13.234 237 1HE MET 35 1HE MET 35 13.719 1.173 12.313 238 2HE MET 35 3HE MET 35 12.519 -0.133 12.189 239 3HE MET 35 2HE MET 35 12.054 1.451 12.794 240 H LEU 36 H LEU 36 16.571 -3.712 14.233 241 HA LEU 36 HA LEU 36 15.073 -4.117 11.784 242 1HB LEU 36 2HB LEU 36 17.828 -5.079 12.532 243 2HB LEU 36 1HB LEU 36 17.099 -5.281 10.958 244 HG LEU 36 HG LEU 36 18.470 -3.390 10.694 245 1HD1 LEU 36 3HD1 LEU 36 16.139 -2.915 9.954 246 2HD1 LEU 36 2HD1 LEU 36 15.836 -2.166 11.524 247 3HD1 LEU 36 1HD1 LEU 36 17.032 -1.467 10.432 248 1HD2 LEU 36 1HD2 LEU 36 18.614 -3.210 13.349 249 2HD2 LEU 36 3HD2 LEU 36 19.027 -1.844 12.313 250 3HD2 LEU 36 2HD2 LEU 36 17.442 -1.919 13.079 251 H THR 37 H THR 37 15.497 -6.172 14.637 252 HA THR 37 HA THR 37 14.423 -8.427 13.064 253 HB THR 37 HB THR 37 15.451 -9.682 15.133 254 HG1 THR 37 HG1 THR 37 17.372 -7.641 15.062 255 1HG2 THR 37 3HG2 THR 37 16.674 -8.818 12.572 256 2HG2 THR 37 2HG2 THR 37 17.750 -9.558 13.750 257 3HG2 THR 37 1HG2 THR 37 16.339 -10.434 13.183 258 H ALA 38 H ALA 38 13.124 -6.075 14.740 259 HA ALA 38 HA ALA 38 10.903 -7.584 15.785 260 1HB ALA 38 3HB ALA 38 13.068 -7.531 17.397 261 2HB ALA 38 2HB ALA 38 12.296 -6.044 17.908 262 3HB ALA 38 1HB ALA 38 11.418 -7.582 18.019 263 H LYS 39 H LYS 39 9.907 -6.117 14.296 264 HA LYS 39 HA LYS 39 10.111 -3.380 14.427 265 1HB LYS 39 2HB LYS 39 8.914 -5.027 12.635 266 2HB LYS 39 1HB LYS 39 7.562 -4.114 13.262 267 1HG LYS 39 2HG LYS 39 8.546 -3.032 11.278 268 2HG LYS 39 1HG LYS 39 8.638 -2.018 12.697 269 1HD LYS 39 2HD LYS 39 10.944 -2.133 12.805 270 2HD LYS 39 1HD LYS 39 11.028 -3.735 12.082 271 1HE LYS 39 2HE LYS 39 10.059 -2.385 9.962 272 2HE LYS 39 1HE LYS 39 10.839 -1.056 10.786 273 1HZ LYS 39 3HZ LYS 39 12.219 -3.595 10.050 274 2HZ LYS 39 2HZ LYS 39 12.271 -2.168 9.139 275 3HZ LYS 39 1HZ LYS 39 12.933 -2.204 10.692 276 H ALA 40 H ALA 40 8.858 -4.719 17.010 277 HA ALA 40 HA ALA 40 6.492 -3.125 17.528 278 1HB ALA 40 2HB ALA 40 7.514 -5.486 18.513 279 2HB ALA 40 1HB ALA 40 7.885 -4.368 19.813 280 3HB ALA 40 3HB ALA 40 6.219 -4.562 19.275 281 H LEU 41 H LEU 41 6.867 -0.903 17.740 282 HA LEU 41 HA LEU 41 9.185 0.394 18.537 283 1HB LEU 41 2HB LEU 41 6.322 1.291 18.579 284 2HB LEU 41 1HB LEU 41 7.590 2.345 19.187 285 HG LEU 41 HG LEU 41 7.669 1.078 16.440 286 1HD1 LEU 41 3HD1 LEU 41 5.699 2.552 16.659 287 2HD1 LEU 41 2HD1 LEU 41 6.752 3.867 17.189 288 3HD1 LEU 41 1HD1 LEU 41 6.904 3.213 15.557 289 1HD2 LEU 41 2HD2 LEU 41 9.259 3.235 17.848 290 2HD2 LEU 41 1HD2 LEU 41 9.858 1.797 17.022 291 3HD2 LEU 41 3HD2 LEU 41 9.202 3.140 16.088 292 HA PRO 42 HA PRO 42 9.425 -0.326 22.858 293 1HB PRO 42 2HB PRO 42 11.510 1.301 23.474 294 2HB PRO 42 1HB PRO 42 11.644 -0.316 22.750 295 1HG PRO 42 2HG PRO 42 12.035 2.330 21.499 296 2HG PRO 42 1HG PRO 42 12.654 0.739 21.025 297 1HD PRO 42 2HD PRO 42 10.470 2.067 19.798 298 2HD PRO 42 1HD PRO 42 10.969 0.382 19.566 299 H THR 43 H THR 43 9.190 0.575 24.951 300 HA THR 43 HA THR 43 7.302 2.699 25.201 301 HB THR 43 HB THR 43 8.872 1.646 27.554 302 HG1 THR 43 HG1 THR 43 8.222 -0.291 27.098 303 1HG2 THR 43 2HG2 THR 43 6.100 2.705 27.098 304 2HG2 THR 43 1HG2 THR 43 6.434 1.652 28.470 305 3HG2 THR 43 3HG2 THR 43 7.295 3.183 28.305 306 H THR 44 H THR 44 7.519 4.661 26.366 307 HA THR 44 HA THR 44 9.310 6.525 25.634 308 HB THR 44 HB THR 44 7.329 7.142 26.700 309 HG1 THR 44 HG1 THR 44 9.604 8.160 28.043 310 1HG2 THR 44 2HG2 THR 44 8.336 5.841 29.229 311 2HG2 THR 44 1HG2 THR 44 7.005 6.990 29.200 312 3HG2 THR 44 3HG2 THR 44 6.875 5.476 28.314 313 H ALA 45 H ALA 45 9.911 4.388 28.361 314 HA ALA 45 HA ALA 45 12.150 5.674 29.516 315 1HB ALA 45 3HB ALA 45 11.333 2.748 29.365 316 2HB ALA 45 2HB ALA 45 12.749 3.268 30.271 317 3HB ALA 45 1HB ALA 45 11.149 3.849 30.726 318 H GLN 46 H GLN 46 12.417 2.758 27.408 319 HA GLN 46 HA GLN 46 15.113 3.040 26.764 320 1HB GLN 46 2HB GLN 46 12.981 1.912 24.897 321 2HB GLN 46 1HB GLN 46 14.721 1.668 24.752 322 1HG GLN 46 2HG GLN 46 14.563 0.813 27.212 323 2HG GLN 46 1HG GLN 46 12.858 0.590 26.863 324 1HE2 GLN 46 2HE2 GLN 46 15.454 -2.197 25.617 325 2HE2 GLN 46 1HE2 GLN 46 15.862 -0.998 26.750 326 H TYR 47 H TYR 47 12.355 4.597 25.237 327 HA TYR 47 HA TYR 47 13.497 5.823 22.998 328 1HB TYR 47 2HB TYR 47 11.129 6.190 24.656 329 2HB TYR 47 1HB TYR 47 11.756 7.734 24.129 330 HD1 TYR 47 HD2 TYR 47 10.589 4.396 22.952 331 HD2 TYR 47 HD1 TYR 47 11.410 8.487 21.919 332 HE1 TYR 47 HE2 TYR 47 9.483 4.053 20.774 333 HE2 TYR 47 HE1 TYR 47 10.299 8.144 19.728 334 HH TYR 47 HH TYR 47 8.277 6.147 18.970 335 H LYS 48 H LYS 48 13.114 7.294 26.290 336 HA LYS 48 HA LYS 48 14.675 9.547 25.700 337 1HB LYS 48 2HB LYS 48 15.002 9.886 28.198 338 2HB LYS 48 1HB LYS 48 13.373 9.955 27.574 339 1HG LYS 48 2HG LYS 48 13.107 7.544 28.344 340 2HG LYS 48 1HG LYS 48 14.672 7.730 29.163 341 1HD LYS 48 2HD LYS 48 13.697 9.862 30.165 342 2HD LYS 48 1HD LYS 48 12.130 9.254 29.625 343 1HE LYS 48 2HE LYS 48 12.092 7.537 31.161 344 2HE LYS 48 1HE LYS 48 13.838 7.329 31.132 345 1HZ LYS 48 2HZ LYS 48 14.068 9.370 32.415 346 2HZ LYS 48 1HZ LYS 48 12.379 9.551 32.474 347 3HZ LYS 48 3HZ LYS 48 13.112 8.232 33.240 348 H LEU 49 H LEU 49 15.858 6.703 27.549 349 HA LEU 49 HA LEU 49 18.517 7.565 27.783 350 1HB LEU 49 2HB LEU 49 17.468 4.753 27.351 351 2HB LEU 49 1HB LEU 49 19.049 5.168 27.977 352 HG LEU 49 HG LEU 49 18.076 4.816 29.820 353 1HD1 LEU 49 2HD1 LEU 49 18.490 7.134 30.234 354 2HD1 LEU 49 1HD1 LEU 49 16.878 7.553 29.646 355 3HD1 LEU 49 3HD1 LEU 49 17.065 6.620 31.132 356 1HD2 LEU 49 2HD2 LEU 49 15.809 4.349 28.529 357 2HD2 LEU 49 1HD2 LEU 49 15.984 4.213 30.273 358 3HD2 LEU 49 3HD2 LEU 49 15.301 5.680 29.573 359 H MET 50 H MET 50 16.946 5.915 25.063 360 HA MET 50 HA MET 50 19.187 5.446 23.392 361 1HB MET 50 2HB MET 50 16.229 5.739 22.894 362 2HB MET 50 1HB MET 50 17.312 5.701 21.519 363 1HG MET 50 2HG MET 50 18.141 3.503 22.147 364 2HG MET 50 1HG MET 50 17.291 3.586 23.680 365 1HE MET 50 2HE MET 50 17.019 3.946 19.962 366 2HE MET 50 1HE MET 50 15.889 2.673 19.520 367 3HE MET 50 3HE MET 50 15.304 4.314 19.842 368 H CYS 51 H CYS 51 16.903 8.235 23.493 369 HA CYS 51 HA CYS 51 18.181 9.686 21.417 370 1HB CYS 51 2HB CYS 51 16.183 10.385 23.480 371 2HB CYS 51 1HB CYS 51 17.246 11.717 23.047 372 H ALA 52 H ALA 52 18.920 9.484 24.859 373 HA ALA 52 HA ALA 52 21.041 11.507 24.713 374 1HB ALA 52 1HB ALA 52 20.074 9.765 27.003 375 2HB ALA 52 3HB ALA 52 21.286 11.033 27.140 376 3HB ALA 52 2HB ALA 52 19.625 11.448 26.720 377 H SER 53 H SER 53 21.684 9.545 22.935 378 HA SER 53 HA SER 53 24.167 8.494 24.022 379 1HB SER 53 2HB SER 53 22.406 6.690 24.423 380 2HB SER 53 1HB SER 53 22.266 6.537 22.682 381 HG SER 53 HG SER 53 24.235 5.704 24.383 382 H THR 54 H THR 54 25.715 8.887 22.589 383 HA THR 54 HA THR 54 25.399 10.036 20.055 384 HB THR 54 HB THR 54 27.432 10.154 21.467 385 HG1 THR 54 HG1 THR 54 27.800 9.371 18.767 386 1HG2 THR 54 2HG2 THR 54 27.602 7.742 22.054 387 2HG2 THR 54 1HG2 THR 54 28.146 7.414 20.409 388 3HG2 THR 54 3HG2 THR 54 29.112 8.433 21.474 389 H ALA 55 H ALA 55 25.591 6.637 20.893 390 HA ALA 55 HA ALA 55 26.034 5.523 18.296 391 1HB ALA 55 1HB ALA 55 24.714 4.357 20.764 392 2HB ALA 55 3HB ALA 55 25.102 3.444 19.304 393 3HB ALA 55 2HB ALA 55 26.394 4.169 20.267 394 H CYS 56 H CYS 56 23.079 5.518 20.238 395 HA CYS 56 HA CYS 56 21.311 4.709 18.270 396 1HB CYS 56 2HB CYS 56 20.702 6.502 20.640 397 2HB CYS 56 1HB CYS 56 19.491 5.581 19.743 398 H ASN 57 H ASN 57 22.316 7.968 19.146 399 HA ASN 57 HA ASN 57 20.658 9.489 17.383 400 1HB ASN 57 2HB ASN 57 22.765 10.095 19.235 401 2HB ASN 57 1HB ASN 57 23.269 10.746 17.688 402 1HD2 ASN 57 2HD2 ASN 57 19.989 12.346 19.554 403 2HD2 ASN 57 1HD2 ASN 57 20.570 10.841 20.068 404 H THR 58 H THR 58 23.976 8.284 16.969 405 HA THR 58 HA THR 58 24.245 9.160 14.288 406 HB THR 58 HB THR 58 25.650 6.922 15.772 407 HG1 THR 58 HG1 THR 58 27.011 8.456 16.266 408 1HG2 THR 58 1HG2 THR 58 26.321 8.046 13.025 409 2HG2 THR 58 3HG2 THR 58 27.419 7.089 14.023 410 3HG2 THR 58 2HG2 THR 58 25.926 6.373 13.428 411 H MET 59 H MET 59 22.762 6.216 15.544 412 HA MET 59 HA MET 59 22.501 4.726 13.128 413 1HB MET 59 2HB MET 59 20.729 4.902 15.558 414 2HB MET 59 1HB MET 59 20.367 3.832 14.235 415 1HG MET 59 2HG MET 59 22.617 2.732 14.679 416 2HG MET 59 1HG MET 59 22.735 3.723 16.125 417 1HE MET 59 2HE MET 59 19.552 3.944 16.815 418 2HE MET 59 1HE MET 59 18.896 2.919 15.554 419 3HE MET 59 3HE MET 59 18.802 2.418 17.251 420 H ILE 60 H ILE 60 20.019 6.665 14.742 421 HA ILE 60 HA ILE 60 18.250 6.792 12.528 422 HB ILE 60 HB ILE 60 18.382 8.420 15.086 423 1HG1 ILE 60 2HG1 ILE 60 16.573 6.134 14.287 424 2HG1 ILE 60 1HG1 ILE 60 18.062 5.908 15.179 425 1HG2 ILE 60 2HG2 ILE 60 16.209 8.277 12.971 426 2HG2 ILE 60 1HG2 ILE 60 15.935 8.842 14.620 427 3HG2 ILE 60 3HG2 ILE 60 17.046 9.718 13.569 428 1HD1 ILE 60 1HD1 ILE 60 16.891 7.783 16.750 429 2HD1 ILE 60 3HD1 ILE 60 15.457 7.006 16.086 430 3HD1 ILE 60 2HD1 ILE 60 16.643 6.058 16.970 431 H LYS 61 H LYS 61 20.217 9.418 13.880 432 HA LYS 61 HA LYS 61 19.811 11.383 11.953 433 1HB LYS 61 2HB LYS 61 20.946 11.808 14.017 434 2HB LYS 61 1HB LYS 61 22.222 10.684 13.593 435 1HG LYS 61 2HG LYS 61 22.124 12.720 11.576 436 2HG LYS 61 1HG LYS 61 22.092 13.493 13.163 437 1HD LYS 61 2HD LYS 61 24.079 11.401 12.280 438 2HD LYS 61 1HD LYS 61 24.390 13.131 12.370 439 1HE LYS 61 2HE LYS 61 23.318 12.077 14.885 440 2HE LYS 61 1HE LYS 61 24.806 11.268 14.420 441 1HZ LYS 61 2HZ LYS 61 25.867 13.433 14.189 442 2HZ LYS 61 1HZ LYS 61 24.423 14.209 14.638 443 3HZ LYS 61 3HZ LYS 61 25.236 13.234 15.759 444 H LYS 62 H LYS 62 22.033 8.647 11.651 445 HA LYS 62 HA LYS 62 23.210 9.526 9.163 446 1HB LYS 62 2HB LYS 62 24.376 7.839 10.598 447 2HB LYS 62 1HB LYS 62 23.085 6.692 10.272 448 1HG LYS 62 2HG LYS 62 23.855 7.320 7.723 449 2HG LYS 62 1HG LYS 62 25.384 7.523 8.578 450 1HD LYS 62 2HD LYS 62 25.060 5.266 9.604 451 2HD LYS 62 1HD LYS 62 23.614 5.069 8.635 452 1HE LYS 62 2HE LYS 62 24.976 4.095 7.130 453 2HE LYS 62 1HE LYS 62 25.509 5.721 6.720 454 1HZ LYS 62 1HZ LYS 62 27.192 5.397 8.605 455 2HZ LYS 62 3HZ LYS 62 26.771 3.756 8.539 456 3HZ LYS 62 2HZ LYS 62 27.440 4.505 7.173 457 H ILE 63 H ILE 63 20.539 7.344 9.965 458 HA ILE 63 HA ILE 63 19.907 6.607 7.269 459 HB ILE 63 HB ILE 63 18.012 6.869 9.646 460 1HG1 ILE 63 2HG1 ILE 63 19.812 5.238 10.096 461 2HG1 ILE 63 1HG1 ILE 63 18.250 4.456 9.958 462 1HG2 ILE 63 3HG2 ILE 63 17.628 5.389 7.039 463 2HG2 ILE 63 2HG2 ILE 63 16.587 5.218 8.448 464 3HG2 ILE 63 1HG2 ILE 63 16.707 6.771 7.628 465 1HD1 ILE 63 2HD1 ILE 63 18.878 3.873 7.579 466 2HD1 ILE 63 1HD1 ILE 63 20.483 4.519 7.919 467 3HD1 ILE 63 3HD1 ILE 63 19.894 3.116 8.808 468 H VAL 64 H VAL 64 19.066 9.454 9.257 469 HA VAL 64 HA VAL 64 17.131 10.643 7.560 470 HB VAL 64 HB VAL 64 19.040 11.983 9.472 471 1HG1 VAL 64 2HG1 VAL 64 17.810 13.505 7.872 472 2HG1 VAL 64 1HG1 VAL 64 16.306 12.950 8.604 473 3HG1 VAL 64 3HG1 VAL 64 17.490 13.823 9.571 474 1HG2 VAL 64 2HG2 VAL 64 16.438 10.578 9.990 475 2HG2 VAL 64 1HG2 VAL 64 17.898 10.658 10.978 476 3HG2 VAL 64 3HG2 VAL 64 16.809 12.036 10.905 477 H THR 65 H THR 65 20.608 11.346 7.879 478 HA THR 65 HA THR 65 20.854 13.266 5.874 479 HB THR 65 HB THR 65 23.242 12.465 5.728 480 HG1 THR 65 HG1 THR 65 23.555 10.517 6.399 481 1HG2 THR 65 3HG2 THR 65 22.107 13.130 8.444 482 2HG2 THR 65 2HG2 THR 65 23.828 13.043 8.089 483 3HG2 THR 65 1HG2 THR 65 22.820 14.222 7.251 484 H LEU 66 H LEU 66 21.040 9.750 5.569 485 HA LEU 66 HA LEU 66 21.661 9.705 2.770 486 1HB LEU 66 2HB LEU 66 20.284 7.531 4.359 487 2HB LEU 66 1HB LEU 66 21.040 7.346 2.786 488 HG LEU 66 HG LEU 66 22.384 7.943 5.429 489 1HD1 LEU 66 1HD1 LEU 66 22.194 5.569 3.611 490 2HD1 LEU 66 3HD1 LEU 66 23.613 5.771 4.641 491 3HD1 LEU 66 2HD1 LEU 66 22.009 5.663 5.361 492 1HD2 LEU 66 3HD2 LEU 66 23.561 9.155 3.561 493 2HD2 LEU 66 2HD2 LEU 66 24.525 7.864 4.265 494 3HD2 LEU 66 1HD2 LEU 66 23.729 7.612 2.714 495 H ASN 67 H ASN 67 18.604 10.048 4.435 496 HA ASN 67 HA ASN 67 16.478 10.005 3.850 497 1HB ASN 67 2HB ASN 67 15.834 11.762 2.286 498 2HB ASN 67 1HB ASN 67 17.097 12.248 3.397 499 1HD2 ASN 67 2HD2 ASN 67 17.781 12.384 -0.615 500 2HD2 ASN 67 1HD2 ASN 67 16.308 11.777 -0.046 501 HA PRO 68 HA PRO 68 16.109 6.666 0.831 502 1HB PRO 68 2HB PRO 68 14.236 5.318 2.275 503 2HB PRO 68 1HB PRO 68 15.989 5.161 2.521 504 1HG PRO 68 2HG PRO 68 13.975 6.599 4.184 505 2HG PRO 68 1HG PRO 68 15.498 5.817 4.659 506 1HD PRO 68 2HD PRO 68 15.185 8.556 4.347 507 2HD PRO 68 1HD PRO 68 16.733 7.695 4.341 508 HA PRO 69 HA PRO 69 12.365 7.934 -1.212 509 1HB PRO 69 2HB PRO 69 11.487 5.659 -2.428 510 2HB PRO 69 1HB PRO 69 12.923 6.565 -2.935 511 1HG PRO 69 2HG PRO 69 12.767 3.961 -1.544 512 2HG PRO 69 1HG PRO 69 14.067 4.640 -2.541 513 1HD PRO 69 2HD PRO 69 14.001 4.547 0.297 514 2HD PRO 69 1HD PRO 69 15.194 5.381 -0.720 515 H ASN 70 H ASN 70 10.004 7.770 -1.365 516 HA ASN 70 HA ASN 70 8.740 7.172 1.184 517 1HB ASN 70 2HB ASN 70 8.043 8.768 -1.154 518 2HB ASN 70 1HB ASN 70 6.706 7.751 -0.668 519 1HD2 ASN 70 2HD2 ASN 70 7.248 11.085 1.366 520 2HD2 ASN 70 1HD2 ASN 70 7.799 10.819 -0.213 521 H CYS 71 H CYS 71 8.476 5.091 1.609 522 HA CYS 71 HA CYS 71 6.443 3.577 0.313 523 1HB CYS 71 2HB CYS 71 7.704 1.761 -0.622 524 2HB CYS 71 1HB CYS 71 8.196 3.265 -1.376 525 H ASP 72 H ASP 72 5.773 1.809 1.405 526 HA ASP 72 HA ASP 72 6.505 1.550 4.208 527 1HB ASP 72 2HB ASP 72 4.422 0.070 2.600 528 2HB ASP 72 1HB ASP 72 4.653 -0.043 4.334 529 H LEU 73 H LEU 73 7.330 -0.175 5.243 530 HA LEU 73 HA LEU 73 8.211 -2.564 3.716 531 1HB LEU 73 2HB LEU 73 9.749 -0.959 5.790 532 2HB LEU 73 1HB LEU 73 10.257 -2.546 5.225 533 HG LEU 73 HG LEU 73 9.664 -0.674 3.043 534 1HD1 LEU 73 3HD1 LEU 73 10.575 0.935 4.678 535 2HD1 LEU 73 2HD1 LEU 73 12.050 -0.025 4.782 536 3HD1 LEU 73 1HD1 LEU 73 11.597 0.739 3.261 537 1HD2 LEU 73 2HD2 LEU 73 10.811 -2.840 2.709 538 2HD2 LEU 73 1HD2 LEU 73 11.807 -1.492 2.177 539 3HD2 LEU 73 3HD2 LEU 73 12.151 -2.289 3.712 540 H THR 74 H THR 74 6.981 -4.217 4.513 541 HA THR 74 HA THR 74 5.837 -4.207 7.186 542 HB THR 74 HB THR 74 4.774 -6.319 6.339 543 HG1 THR 74 HG1 THR 74 5.588 -7.180 4.633 544 1HG2 THR 74 3HG2 THR 74 4.281 -3.616 5.435 545 2HG2 THR 74 2HG2 THR 74 3.769 -4.789 4.222 546 3HG2 THR 74 1HG2 THR 74 3.144 -4.891 5.861 547 H VAL 75 H VAL 75 6.686 -5.257 8.916 548 HA VAL 75 HA VAL 75 8.956 -7.093 8.473 549 HB VAL 75 HB VAL 75 8.176 -5.323 10.777 550 1HG1 VAL 75 2HG1 VAL 75 10.197 -7.576 10.792 551 2HG1 VAL 75 1HG1 VAL 75 10.311 -6.193 11.877 552 3HG1 VAL 75 3HG1 VAL 75 8.906 -7.254 11.955 553 1HG2 VAL 75 3HG2 VAL 75 10.320 -5.473 8.717 554 2HG2 VAL 75 2HG2 VAL 75 9.469 -4.074 9.369 555 3HG2 VAL 75 1HG2 VAL 75 10.743 -4.854 10.314 556 HA PRO 76 HA PRO 76 6.213 -10.438 9.695 557 1HB PRO 76 2HB PRO 76 7.977 -12.462 9.221 558 2HB PRO 76 1HB PRO 76 7.046 -11.644 7.954 559 1HG PRO 76 2HG PRO 76 9.923 -11.390 8.614 560 2HG PRO 76 1HG PRO 76 9.082 -11.129 7.076 561 1HD PRO 76 2HD PRO 76 9.948 -9.099 8.808 562 2HD PRO 76 1HD PRO 76 8.814 -8.917 7.454 563 H THR 77 H THR 77 9.456 -10.127 11.105 564 HA THR 77 HA THR 77 9.083 -12.010 13.216 565 HB THR 77 HB THR 77 11.256 -11.241 12.231 566 HG1 THR 77 HG1 THR 77 12.373 -11.643 14.015 567 1HG2 THR 77 3HG2 THR 77 10.864 -8.854 12.178 568 2HG2 THR 77 2HG2 THR 77 10.815 -8.791 13.938 569 3HG2 THR 77 1HG2 THR 77 12.312 -9.215 13.108 570 H SER 78 H SER 78 8.148 -8.651 13.034 571 HA SER 78 HA SER 78 7.326 -8.673 15.886 572 1HB SER 78 2HB SER 78 8.348 -6.553 15.684 573 2HB SER 78 1HB SER 78 8.054 -6.452 13.988 574 HG SER 78 HG SER 78 5.899 -5.842 14.532 575 H GLY 79 H GLY 79 6.120 -8.012 12.641 576 1HA GLY 79 2HA GLY 79 4.021 -8.736 11.756 577 2HA GLY 79 1HA GLY 79 3.382 -8.869 13.406 578 H LEU 80 H LEU 80 5.207 -6.158 12.011 579 HA LEU 80 HA LEU 80 2.866 -4.414 11.977 580 1HB LEU 80 2HB LEU 80 4.764 -4.292 14.094 581 2HB LEU 80 1HB LEU 80 5.078 -2.918 13.049 582 HG LEU 80 HG LEU 80 2.291 -2.956 13.282 583 1HD1 LEU 80 2HD1 LEU 80 2.565 -4.581 15.192 584 2HD1 LEU 80 1HD1 LEU 80 3.493 -3.341 16.036 585 3HD1 LEU 80 3HD1 LEU 80 1.801 -3.059 15.639 586 1HD2 LEU 80 3HD2 LEU 80 3.805 -0.979 13.262 587 2HD2 LEU 80 2HD2 LEU 80 2.633 -0.908 14.573 588 3HD2 LEU 80 1HD2 LEU 80 4.297 -1.368 14.910 589 H VAL 81 H VAL 81 3.057 -2.654 10.708 590 HA VAL 81 HA VAL 81 5.029 -2.828 8.509 591 HB VAL 81 HB VAL 81 2.442 -1.254 8.735 592 1HG1 VAL 81 1HG1 VAL 81 4.321 -1.625 6.394 593 2HG1 VAL 81 3HG1 VAL 81 2.672 -1.005 6.246 594 3HG1 VAL 81 2HG1 VAL 81 3.863 -0.110 7.186 595 1HG2 VAL 81 2HG2 VAL 81 3.113 -3.940 7.559 596 2HG2 VAL 81 1HG2 VAL 81 1.730 -3.470 8.542 597 3HG2 VAL 81 3HG2 VAL 81 1.818 -2.972 6.853 598 H LEU 82 H LEU 82 6.532 -1.279 8.182 599 HA LEU 82 HA LEU 82 6.365 1.250 9.711 600 1HB LEU 82 2HB LEU 82 7.971 -0.364 10.834 601 2HB LEU 82 1HB LEU 82 8.959 -0.268 9.372 602 HG LEU 82 HG LEU 82 8.904 2.301 9.717 603 1HD1 LEU 82 1HD1 LEU 82 7.032 1.931 11.532 604 2HD1 LEU 82 3HD1 LEU 82 8.404 1.616 12.594 605 3HD1 LEU 82 2HD1 LEU 82 8.258 3.172 11.775 606 1HD2 LEU 82 3HD2 LEU 82 10.861 0.768 10.199 607 2HD2 LEU 82 2HD2 LEU 82 10.803 2.221 11.195 608 3HD2 LEU 82 1HD2 LEU 82 10.289 0.673 11.864 609 H ASN 83 H ASN 83 6.538 2.938 8.435 610 HA ASN 83 HA ASN 83 7.597 2.621 5.701 611 1HB ASN 83 2HB ASN 83 5.335 3.838 6.210 612 2HB ASN 83 1HB ASN 83 6.326 5.149 6.844 613 1HD2 ASN 83 2HD2 ASN 83 5.765 4.998 2.897 614 2HD2 ASN 83 1HD2 ASN 83 4.788 4.166 4.007 615 H VAL 84 H VAL 84 9.722 2.606 5.888 616 HA VAL 84 HA VAL 84 11.349 3.882 7.743 617 HB VAL 84 HB VAL 84 11.762 2.459 5.218 618 1HG1 VAL 84 2HG1 VAL 84 13.994 4.300 6.111 619 2HG1 VAL 84 1HG1 VAL 84 14.138 2.984 4.944 620 3HG1 VAL 84 3HG1 VAL 84 13.127 4.378 4.578 621 1HG2 VAL 84 1HG2 VAL 84 11.941 1.583 7.583 622 2HG2 VAL 84 3HG2 VAL 84 13.298 1.213 6.520 623 3HG2 VAL 84 2HG2 VAL 84 13.442 2.497 7.714 624 H TYR 85 H TYR 85 9.937 5.379 4.911 625 HA TYR 85 HA TYR 85 11.695 7.636 4.681 626 1HB TYR 85 2HB TYR 85 9.914 6.943 2.983 627 2HB TYR 85 1HB TYR 85 8.705 7.588 4.062 628 HD1 TYR 85 HD2 TYR 85 11.458 8.377 1.796 629 HD2 TYR 85 HD1 TYR 85 8.527 10.061 4.428 630 HE1 TYR 85 HE2 TYR 85 11.889 10.610 0.824 631 HE2 TYR 85 HE1 TYR 85 8.947 12.310 3.464 632 HH TYR 85 HH TYR 85 11.597 13.101 1.719 633 H SER 86 H SER 86 8.490 7.269 6.195 634 HA SER 86 HA SER 86 8.544 9.772 7.558 635 1HB SER 86 2HB SER 86 6.475 9.139 8.623 636 2HB SER 86 1HB SER 86 6.456 8.552 6.968 637 HG SER 86 HG SER 86 5.741 7.055 8.638 638 H TYR 87 H TYR 87 9.590 6.659 8.628 639 HA TYR 87 HA TYR 87 9.883 6.773 11.353 640 1HB TYR 87 2HB TYR 87 10.482 4.892 9.960 641 2HB TYR 87 1HB TYR 87 11.761 5.802 9.218 642 HD1 TYR 87 HD2 TYR 87 10.700 4.935 12.727 643 HD2 TYR 87 HD1 TYR 87 13.866 5.259 9.863 644 HE1 TYR 87 HE2 TYR 87 12.326 4.124 14.443 645 HE2 TYR 87 HE1 TYR 87 15.505 4.453 11.550 646 HH TYR 87 HH TYR 87 15.344 2.998 13.724 647 H ALA 88 H ALA 88 12.446 7.716 9.129 648 HA ALA 88 HA ALA 88 14.277 8.873 10.895 649 1HB ALA 88 3HB ALA 88 13.787 9.026 7.956 650 2HB ALA 88 2HB ALA 88 15.134 9.913 8.683 651 3HB ALA 88 1HB ALA 88 15.040 8.156 8.823 652 H ASN 89 H ASN 89 12.025 10.649 8.841 653 HA ASN 89 HA ASN 89 12.687 13.247 9.864 654 1HB ASN 89 2HB ASN 89 10.456 12.178 8.147 655 2HB ASN 89 1HB ASN 89 10.287 13.749 8.903 656 1HD2 ASN 89 2HD2 ASN 89 13.057 13.279 5.927 657 2HD2 ASN 89 1HD2 ASN 89 12.430 11.903 6.692 658 H GLY 90 H GLY 90 10.110 10.962 10.833 659 1HA GLY 90 2HA GLY 90 8.777 12.715 12.622 660 2HA GLY 90 1HA GLY 90 8.585 10.983 12.549 661 H PHE 91 H PHE 91 11.004 9.992 13.362 662 HA PHE 91 HA PHE 91 11.095 9.845 16.051 663 1HB PHE 91 2HB PHE 91 12.651 8.668 14.374 664 2HB PHE 91 1HB PHE 91 13.739 10.010 14.623 665 HD1 PHE 91 HD2 PHE 91 12.119 7.108 16.270 666 HD2 PHE 91 HD1 PHE 91 14.809 10.422 16.777 667 HE1 PHE 91 HE2 PHE 91 12.907 6.149 18.407 668 HE2 PHE 91 HE1 PHE 91 15.596 9.465 18.913 669 HZ PHE 91 HZ PHE 91 14.652 7.331 19.740 670 H SER 92 H SER 92 13.191 12.177 14.363 671 HA SER 92 HA SER 92 14.454 13.416 16.533 672 1HB SER 92 2HB SER 92 14.910 13.681 14.034 673 2HB SER 92 1HB SER 92 13.657 14.906 14.015 674 HG SER 92 HG SER 92 15.891 15.629 14.415 675 H ASN 93 H ASN 93 11.390 14.453 15.028 676 HA ASN 93 HA ASN 93 10.892 16.712 16.688 677 1HB ASN 93 2HB ASN 93 9.290 15.005 14.844 678 2HB ASN 93 1HB ASN 93 8.352 15.767 16.117 679 1HD2 ASN 93 2HD2 ASN 93 9.090 18.043 13.038 680 2HD2 ASN 93 1HD2 ASN 93 8.871 16.363 13.004 681 H LYS 94 H LYS 94 9.990 13.278 16.986 682 HA LYS 94 HA LYS 94 8.568 13.518 19.455 683 1HB LYS 94 2HB LYS 94 9.979 11.159 18.153 684 2HB LYS 94 1HB LYS 94 9.108 10.998 19.677 685 1HG LYS 94 2HG LYS 94 7.765 12.141 17.226 686 2HG LYS 94 1HG LYS 94 7.894 10.405 17.466 687 1HD LYS 94 2HD LYS 94 6.900 11.069 19.875 688 2HD LYS 94 1HD LYS 94 6.272 12.416 18.940 689 1HE LYS 94 2HE LYS 94 4.879 11.096 17.675 690 2HE LYS 94 1HE LYS 94 5.930 9.696 17.770 691 1HZ LYS 94 3HZ LYS 94 4.306 10.721 20.045 692 2HZ LYS 94 2HZ LYS 94 3.835 9.457 19.017 693 3HZ LYS 94 1HZ LYS 94 5.200 9.282 20.005 694 H CYS 95 H CYS 95 11.994 13.065 18.729 695 HA CYS 95 HA CYS 95 12.941 12.566 21.360 696 1HB CYS 95 2HB CYS 95 14.324 12.392 19.186 697 2HB CYS 95 1HB CYS 95 14.520 14.131 19.279 698 H SER 96 H SER 96 12.487 15.646 19.584 699 HA SER 96 HA SER 96 13.331 17.385 21.677 700 1HB SER 96 2HB SER 96 12.769 17.964 19.144 701 2HB SER 96 1HB SER 96 11.138 18.175 19.741 702 HG SER 96 HG SER 96 13.082 19.925 19.793 703 H SER 97 H SER 97 10.203 15.927 20.911 704 HA SER 97 HA SER 97 8.673 17.274 22.953 705 1HB SER 97 2HB SER 97 8.042 14.826 21.286 706 2HB SER 97 1HB SER 97 6.906 15.640 22.334 707 HG SER 97 HG SER 97 6.679 16.491 20.259 708 H LEU 98 HN LEU 98 10.781 14.530 23.137 709 HA LEU 98 HA LEU 98 9.482 13.391 25.505 710 1HB LEU 98 2HB LEU 98 10.681 12.222 23.413 711 2HB LEU 98 1HB LEU 98 12.103 12.435 24.385 712 HG LEU 98 HG LEU 98 11.172 10.205 24.625 713 1HD1 LEU 98 3HD1 LEU 98 12.221 11.340 26.622 714 2HD1 LEU 98 2HD1 LEU 98 10.589 11.628 27.212 715 3HD1 LEU 98 1HD1 LEU 98 11.168 9.968 26.979 716 1HD2 LEU 98 1HD2 LEU 98 8.768 11.038 24.202 717 2HD2 LEU 98 3HD2 LEU 98 8.992 9.702 25.333 718 3HD2 LEU 98 2HD2 LEU 98 8.715 11.335 25.942 No H/Q in entry = 718 Start of MODEL 16 1 1H THR 1 3H THR 1 0.757 1.060 0.239 2 2H THR 1 2H THR 1 -0.039 1.991 -0.946 3 3H THR 1 1H THR 1 0.736 0.566 -1.379 4 HA THR 1 HA THR 1 2.093 2.260 -2.106 5 HB THR 1 HB THR 1 0.917 3.924 -0.621 6 HG1 THR 1 HG1 THR 1 2.908 5.278 -0.566 7 1HG2 THR 1 2HG2 THR 1 1.947 2.596 1.519 8 2HG2 THR 1 1HG2 THR 1 3.162 3.857 1.310 9 3HG2 THR 1 3HG2 THR 1 1.478 4.296 1.556 10 H ALA 2 H ALA 2 2.513 -0.383 -1.003 11 HA ALA 2 HA ALA 2 4.861 -0.530 0.624 12 1HB ALA 2 2HB ALA 2 3.037 -2.410 -0.568 13 2HB ALA 2 1HB ALA 2 4.644 -2.819 -1.131 14 3HB ALA 2 3HB ALA 2 4.328 -2.734 0.594 15 H CYS 3 H CYS 3 7.013 -0.695 -0.009 16 HA CYS 3 HA CYS 3 7.786 0.555 -2.475 17 1HB CYS 3 2HB CYS 3 9.867 -1.163 -1.256 18 2HB CYS 3 1HB CYS 3 9.986 0.475 -1.804 19 H THR 4 H THR 4 8.483 -0.238 -4.376 20 HA THR 4 HA THR 4 8.485 -3.160 -4.868 21 HB THR 4 HB THR 4 7.220 -1.032 -6.615 22 HG1 THR 4 HG1 THR 4 5.281 -1.659 -5.830 23 1HG2 THR 4 1HG2 THR 4 8.158 -3.312 -7.527 24 2HG2 THR 4 3HG2 THR 4 6.644 -3.932 -6.861 25 3HG2 THR 4 2HG2 THR 4 6.621 -2.650 -8.083 26 H ALA 5 H ALA 5 10.115 -3.857 -6.130 27 HA ALA 5 HA ALA 5 12.132 -4.041 -7.081 28 1HB ALA 5 3HB ALA 5 10.672 -3.644 -8.971 29 2HB ALA 5 2HB ALA 5 10.955 -1.907 -8.857 30 3HB ALA 5 1HB ALA 5 12.278 -2.989 -9.297 31 H THR 6 H THR 6 12.865 -0.939 -8.321 32 HA THR 6 HA THR 6 15.284 -0.708 -6.964 33 HB THR 6 HB THR 6 15.382 1.625 -7.729 34 HG1 THR 6 HG1 THR 6 12.701 1.295 -8.628 35 1HG2 THR 6 3HG2 THR 6 14.280 -0.281 -9.809 36 2HG2 THR 6 2HG2 THR 6 15.130 1.221 -10.156 37 3HG2 THR 6 1HG2 THR 6 15.966 -0.087 -9.331 38 H GLN 7 H GLN 7 12.145 0.546 -6.012 39 HA GLN 7 HA GLN 7 12.824 2.257 -3.876 40 1HB GLN 7 2HB GLN 7 10.418 0.432 -4.203 41 2HB GLN 7 1HB GLN 7 10.559 1.685 -2.978 42 1HG GLN 7 2HG GLN 7 10.872 3.347 -4.865 43 2HG GLN 7 1HG GLN 7 10.457 2.052 -5.976 44 1HE2 GLN 7 2HE2 GLN 7 7.084 3.005 -5.663 45 2HE2 GLN 7 1HE2 GLN 7 8.389 2.665 -6.701 46 H GLN 8 H GLN 8 12.191 -1.211 -3.914 47 HA GLN 8 HA GLN 8 12.658 -1.703 -1.130 48 1HB GLN 8 2HB GLN 8 12.568 -3.588 -3.502 49 2HB GLN 8 1HB GLN 8 12.928 -4.144 -1.871 50 1HG GLN 8 2HG GLN 8 10.791 -3.028 -1.138 51 2HG GLN 8 1HG GLN 8 10.413 -2.815 -2.853 52 1HE2 GLN 8 2HE2 GLN 8 9.907 -6.490 -1.171 53 2HE2 GLN 8 1HE2 GLN 8 10.460 -5.196 -0.228 54 H THR 9 H THR 9 14.652 -2.326 -3.991 55 HA THR 9 HA THR 9 16.869 -3.240 -2.481 56 HB THR 9 HB THR 9 16.516 -3.543 -4.982 57 HG1 THR 9 HG1 THR 9 18.375 -4.276 -3.848 58 1HG2 THR 9 1HG2 THR 9 16.578 -0.978 -5.357 59 2HG2 THR 9 3HG2 THR 9 18.327 -1.178 -5.278 60 3HG2 THR 9 2HG2 THR 9 17.402 -2.025 -6.518 61 H ALA 10 H ALA 10 15.901 0.036 -3.103 62 HA ALA 10 HA ALA 10 18.388 1.338 -2.419 63 1HB ALA 10 3HB ALA 10 15.841 2.206 -3.321 64 2HB ALA 10 2HB ALA 10 15.936 2.837 -1.684 65 3HB ALA 10 1HB ALA 10 17.170 3.259 -2.865 66 H ALA 11 H ALA 11 15.393 0.470 -0.742 67 HA ALA 11 HA ALA 11 16.092 1.229 1.900 68 1HB ALA 11 2HB ALA 11 13.788 0.382 0.941 69 2HB ALA 11 1HB ALA 11 14.401 -1.221 1.351 70 3HB ALA 11 3HB ALA 11 14.207 -0.001 2.612 71 H TYR 12 H TYR 12 16.711 -1.697 0.035 72 HA TYR 12 HA TYR 12 17.801 -3.400 2.008 73 1HB TYR 12 2HB TYR 12 18.193 -3.212 -0.998 74 2HB TYR 12 1HB TYR 12 19.131 -4.325 -0.052 75 HD1 TYR 12 HD2 TYR 12 15.794 -3.951 1.302 76 HD2 TYR 12 HD1 TYR 12 18.078 -5.903 -1.752 77 HE1 TYR 12 HE2 TYR 12 14.021 -5.646 1.073 78 HE2 TYR 12 HE1 TYR 12 16.299 -7.612 -1.989 79 HH TYR 12 HH TYR 12 13.814 -7.835 -1.502 80 H LYS 13 H LYS 13 19.375 -1.055 -0.207 81 HA LYS 13 HA LYS 13 22.055 -1.381 0.545 82 1HB LYS 13 2HB LYS 13 20.684 0.382 -1.067 83 2HB LYS 13 1HB LYS 13 21.193 1.447 0.218 84 1HG LYS 13 2HG LYS 13 23.335 -0.322 -0.806 85 2HG LYS 13 1HG LYS 13 22.689 0.790 -2.000 86 1HD LYS 13 2HD LYS 13 23.012 2.378 0.277 87 2HD LYS 13 1HD LYS 13 24.393 1.300 0.307 88 1HE LYS 13 2HE LYS 13 25.029 3.275 -0.883 89 2HE LYS 13 1HE LYS 13 24.894 1.986 -2.067 90 1HZ LYS 13 1HZ LYS 13 22.600 3.793 -1.534 91 2HZ LYS 13 3HZ LYS 13 23.867 4.279 -2.540 92 3HZ LYS 13 2HZ LYS 13 22.958 2.905 -2.938 93 H THR 14 H THR 14 19.695 0.924 1.973 94 HA THR 14 HA THR 14 21.421 1.630 4.173 95 HB THR 14 HB THR 14 18.449 2.062 3.867 96 HG1 THR 14 HG1 THR 14 20.664 3.690 3.179 97 1HG2 THR 14 3HG2 THR 14 20.108 2.583 6.128 98 2HG2 THR 14 2HG2 THR 14 19.678 4.126 5.401 99 3HG2 THR 14 1HG2 THR 14 18.414 2.998 5.882 100 H LEU 15 H LEU 15 18.250 0.095 4.604 101 HA LEU 15 HA LEU 15 18.581 -0.823 7.192 102 1HB LEU 15 2HB LEU 15 16.461 -0.666 6.377 103 2HB LEU 15 1HB LEU 15 16.796 -1.546 4.909 104 HG LEU 15 HG LEU 15 16.984 -3.061 7.489 105 1HD1 LEU 15 2HD1 LEU 15 14.503 -1.767 6.393 106 2HD1 LEU 15 1HD1 LEU 15 14.382 -3.342 7.170 107 3HD1 LEU 15 3HD1 LEU 15 15.022 -1.968 8.066 108 1HD2 LEU 15 1HD2 LEU 15 17.047 -3.770 4.828 109 2HD2 LEU 15 3HD2 LEU 15 16.550 -4.850 6.124 110 3HD2 LEU 15 2HD2 LEU 15 15.335 -3.987 5.188 111 H VAL 16 H VAL 16 19.510 -2.685 4.250 112 HA VAL 16 HA VAL 16 20.192 -4.996 5.858 113 HB VAL 16 HB VAL 16 21.135 -4.456 3.011 114 1HG1 VAL 16 1HG1 VAL 16 21.814 -6.545 4.830 115 2HG1 VAL 16 3HG1 VAL 16 20.871 -7.221 3.495 116 3HG1 VAL 16 2HG1 VAL 16 22.322 -6.280 3.168 117 1HG2 VAL 16 1HG2 VAL 16 18.507 -4.779 3.708 118 2HG2 VAL 16 3HG2 VAL 16 19.198 -5.258 2.163 119 3HG2 VAL 16 2HG2 VAL 16 18.991 -6.455 3.442 120 H SER 17 H SER 17 22.150 -2.241 4.471 121 HA SER 17 HA SER 17 24.656 -3.302 5.250 122 1HB SER 17 2HB SER 17 23.722 -0.415 5.072 123 2HB SER 17 1HB SER 17 25.331 -0.830 5.637 124 HG SER 17 HG SER 17 24.200 -0.952 3.115 125 H ILE 18 H ILE 18 22.158 -1.736 7.190 126 HA ILE 18 HA ILE 18 23.735 -1.551 9.627 127 HB ILE 18 HB ILE 18 21.090 -0.832 8.568 128 1HG1 ILE 18 2HG1 ILE 18 22.881 0.764 8.783 129 2HG1 ILE 18 1HG1 ILE 18 21.466 1.262 9.686 130 1HG2 ILE 18 3HG2 ILE 18 20.243 -2.113 10.502 131 2HG2 ILE 18 2HG2 ILE 18 21.109 -0.993 11.555 132 3HG2 ILE 18 1HG2 ILE 18 19.839 -0.400 10.492 133 1HD1 ILE 18 3HD1 ILE 18 22.884 -0.087 11.621 134 2HD1 ILE 18 2HD1 ILE 18 24.176 0.570 10.623 135 3HD1 ILE 18 1HD1 ILE 18 22.987 1.652 11.337 136 H LEU 19 H LEU 19 22.052 -2.745 11.641 137 HA LEU 19 HA LEU 19 21.350 -4.600 12.641 138 1HB LEU 19 2HB LEU 19 22.021 -6.335 10.228 139 2HB LEU 19 1HB LEU 19 20.986 -6.723 11.580 140 HG LEU 19 HG LEU 19 20.379 -4.712 9.371 141 1HD1 LEU 19 3HD1 LEU 19 19.617 -7.550 9.882 142 2HD1 LEU 19 2HD1 LEU 19 18.429 -6.466 9.158 143 3HD1 LEU 19 1HD1 LEU 19 19.984 -6.719 8.368 144 1HD2 LEU 19 1HD2 LEU 19 18.692 -5.628 11.737 145 2HD2 LEU 19 3HD2 LEU 19 19.329 -3.998 11.496 146 3HD2 LEU 19 2HD2 LEU 19 18.115 -4.640 10.394 147 H SER 20 H SER 20 24.105 -5.366 10.521 148 HA SER 20 HA SER 20 25.647 -6.337 12.863 149 1HB SER 20 2HB SER 20 25.222 -7.748 10.696 150 2HB SER 20 1HB SER 20 26.412 -6.691 9.961 151 HG SER 20 HG SER 20 27.936 -7.577 11.180 152 H ASP 21 H ASP 21 25.262 -3.524 12.472 153 HA ASP 21 HA ASP 21 27.855 -2.445 11.553 154 1HB ASP 21 2HB ASP 21 25.537 -1.649 10.745 155 2HB ASP 21 1HB ASP 21 25.411 -0.853 12.298 156 H ALA 22 H ALA 22 29.119 -1.217 12.891 157 HA ALA 22 HA ALA 22 29.434 -1.773 15.602 158 1HB ALA 22 1HB ALA 22 31.152 -0.697 14.088 159 2HB ALA 22 3HB ALA 22 30.278 0.819 14.302 160 3HB ALA 22 2HB ALA 22 31.033 0.033 15.689 161 H SER 23 H SER 23 27.822 1.063 14.225 162 HA SER 23 HA SER 23 27.189 2.397 16.649 163 1HB SER 23 2HB SER 23 26.875 3.398 14.301 164 2HB SER 23 1HB SER 23 25.418 2.438 14.178 165 HG SER 23 HG SER 23 26.013 4.552 16.008 166 H PHE 24 H PHE 24 25.206 0.068 14.778 167 HA PHE 24 HA PHE 24 23.047 -0.048 16.647 168 1HB PHE 24 2HB PHE 24 22.949 -0.773 14.206 169 2HB PHE 24 1HB PHE 24 23.880 -2.189 14.623 170 HD1 PHE 24 HD2 PHE 24 22.824 -4.027 15.975 171 HD2 PHE 24 HD1 PHE 24 20.630 -0.509 14.821 172 HE1 PHE 24 HE2 PHE 24 20.697 -5.152 16.552 173 HE2 PHE 24 HE1 PHE 24 18.515 -1.638 15.401 174 HZ PHE 24 HZ PHE 24 18.544 -3.965 16.270 175 H ASN 25 H ASN 25 25.923 -2.102 16.264 176 HA ASN 25 HA ASN 25 25.387 -3.973 18.324 177 1HB ASN 25 2HB ASN 25 27.970 -2.912 17.153 178 2HB ASN 25 1HB ASN 25 28.001 -4.005 18.533 179 1HD2 ASN 25 2HD2 ASN 25 26.579 -6.740 16.513 180 2HD2 ASN 25 1HD2 ASN 25 26.333 -6.060 18.052 181 H GLN 26 H GLN 26 27.098 -0.893 18.413 182 HA GLN 26 HA GLN 26 27.798 -0.728 21.135 183 1HB GLN 26 2HB GLN 26 28.323 0.832 19.031 184 2HB GLN 26 1HB GLN 26 27.000 1.767 19.683 185 1HG GLN 26 2HG GLN 26 29.738 1.284 20.711 186 2HG GLN 26 1HG GLN 26 28.797 2.769 20.638 187 1HE2 GLN 26 2HE2 GLN 26 27.390 2.246 23.909 188 2HE2 GLN 26 1HE2 GLN 26 27.192 3.126 22.471 189 H CYS 27 H CYS 27 25.036 0.752 19.504 190 HA CYS 27 HA CYS 27 23.756 1.715 21.856 191 1HB CYS 27 2HB CYS 27 23.091 1.653 19.026 192 2HB CYS 27 1HB CYS 27 21.650 1.349 19.999 193 H SER 28 H SER 28 23.577 -1.447 20.304 194 HA SER 28 HA SER 28 21.302 -2.491 21.683 195 1HB SER 28 2HB SER 28 22.277 -3.609 19.691 196 2HB SER 28 1HB SER 28 23.743 -3.933 20.582 197 HG SER 28 HG SER 28 21.325 -5.263 20.591 198 H THR 29 H THR 29 24.764 -2.404 22.497 199 HA THR 29 HA THR 29 24.814 -4.033 24.776 200 HB THR 29 HB THR 29 26.434 -1.636 23.951 201 HG1 THR 29 HG1 THR 29 27.904 -3.226 23.337 202 1HG2 THR 29 3HG2 THR 29 26.625 -3.203 26.467 203 2HG2 THR 29 2HG2 THR 29 28.149 -2.903 25.624 204 3HG2 THR 29 1HG2 THR 29 27.128 -1.554 26.117 205 H ASP 30 H ASP 30 23.907 -0.625 24.549 206 HA ASP 30 HA ASP 30 23.564 -0.282 27.420 207 1HB ASP 30 2HB ASP 30 23.774 1.551 25.231 208 2HB ASP 30 1HB ASP 30 22.152 1.720 25.845 209 H SER 31 H SER 31 21.391 -0.367 24.637 210 HA SER 31 HA SER 31 19.354 -1.837 26.100 211 1HB SER 31 2HB SER 31 18.880 0.443 26.820 212 2HB SER 31 1HB SER 31 18.843 1.007 25.161 213 HG SER 31 HG SER 31 16.729 0.623 25.862 214 H GLY 32 H GLY 32 19.159 0.246 23.160 215 1HA GLY 32 2HA GLY 32 19.130 -0.420 20.906 216 2HA GLY 32 1HA GLY 32 19.207 -2.101 21.398 217 H TYR 33 H TYR 33 16.744 -1.593 23.273 218 HA TYR 33 HA TYR 33 14.490 -1.743 23.203 219 1HB TYR 33 2HB TYR 33 14.135 0.331 22.464 220 2HB TYR 33 1HB TYR 33 15.306 0.207 21.230 221 HD1 TYR 33 HD2 TYR 33 11.713 -0.912 21.892 222 HD2 TYR 33 HD1 TYR 33 14.753 0.165 19.051 223 HE1 TYR 33 HE2 TYR 33 10.059 -0.991 20.095 224 HE2 TYR 33 HE1 TYR 33 13.092 0.091 17.241 225 HH TYR 33 HH TYR 33 9.975 -1.259 17.602 226 H SER 34 H SER 34 16.275 -3.456 20.823 227 HA SER 34 HA SER 34 15.957 -5.417 19.813 228 1HB SER 34 2HB SER 34 13.154 -5.576 20.982 229 2HB SER 34 1HB SER 34 14.097 -6.876 20.324 230 HG SER 34 HG SER 34 15.379 -5.617 22.436 231 H MET 35 H MET 35 15.626 -3.105 18.466 232 HA MET 35 HA MET 35 13.328 -2.679 16.931 233 1HB MET 35 2HB MET 35 15.596 -1.351 17.129 234 2HB MET 35 1HB MET 35 16.040 -2.288 15.713 235 1HG MET 35 2HG MET 35 13.390 -1.217 15.331 236 2HG MET 35 1HG MET 35 14.491 0.081 15.799 237 1HE MET 35 3HE MET 35 13.688 0.943 13.522 238 2HE MET 35 2HE MET 35 15.350 1.463 13.785 239 3HE MET 35 1HE MET 35 14.867 0.881 12.196 240 H LEU 36 H LEU 36 15.713 -5.229 16.521 241 HA LEU 36 HA LEU 36 14.559 -5.948 13.910 242 1HB LEU 36 2HB LEU 36 16.548 -6.897 13.346 243 2HB LEU 36 1HB LEU 36 17.095 -5.665 14.450 244 HG LEU 36 HG LEU 36 16.807 -7.737 16.188 245 1HD1 LEU 36 3HD1 LEU 36 16.359 -8.995 13.742 246 2HD1 LEU 36 2HD1 LEU 36 18.035 -9.372 14.110 247 3HD1 LEU 36 1HD1 LEU 36 16.767 -9.772 15.266 248 1HD2 LEU 36 1HD2 LEU 36 18.938 -6.379 14.870 249 2HD2 LEU 36 3HD2 LEU 36 19.005 -7.291 16.374 250 3HD2 LEU 36 2HD2 LEU 36 19.333 -8.092 14.840 251 H THR 37 H THR 37 14.178 -7.039 17.177 252 HA THR 37 HA THR 37 13.155 -9.669 16.223 253 HB THR 37 HB THR 37 14.128 -8.724 18.924 254 HG1 THR 37 HG1 THR 37 15.333 -10.480 17.043 255 1HG2 THR 37 2HG2 THR 37 12.709 -11.194 18.166 256 2HG2 THR 37 1HG2 THR 37 14.176 -11.438 19.113 257 3HG2 THR 37 3HG2 THR 37 12.886 -10.415 19.737 258 H ALA 38 H ALA 38 12.261 -6.642 17.713 259 HA ALA 38 HA ALA 38 9.556 -7.571 18.445 260 1HB ALA 38 1HB ALA 38 11.170 -6.523 20.056 261 2HB ALA 38 3HB ALA 38 10.974 -5.020 19.152 262 3HB ALA 38 2HB ALA 38 9.578 -5.762 19.960 263 H LYS 39 H LYS 39 7.787 -6.807 17.435 264 HA LYS 39 HA LYS 39 8.104 -5.046 15.115 265 1HB LYS 39 2HB LYS 39 5.960 -5.708 14.413 266 2HB LYS 39 1HB LYS 39 6.729 -7.167 15.002 267 1HG LYS 39 2HG LYS 39 5.072 -5.714 17.002 268 2HG LYS 39 1HG LYS 39 4.193 -6.321 15.609 269 1HD LYS 39 2HD LYS 39 5.772 -8.487 16.237 270 2HD LYS 39 1HD LYS 39 5.445 -7.798 17.820 271 1HE LYS 39 2HE LYS 39 3.647 -9.236 17.552 272 2HE LYS 39 1HE LYS 39 2.961 -7.721 17.005 273 1HZ LYS 39 3HZ LYS 39 4.235 -9.535 15.039 274 2HZ LYS 39 2HZ LYS 39 2.677 -9.875 15.615 275 3HZ LYS 39 1HZ LYS 39 2.982 -8.418 14.813 276 H ALA 40 H ALA 40 7.010 -4.712 18.377 277 HA ALA 40 HA ALA 40 5.395 -2.323 18.035 278 1HB ALA 40 2HB ALA 40 5.237 -4.040 19.919 279 2HB ALA 40 1HB ALA 40 6.701 -3.302 20.565 280 3HB ALA 40 3HB ALA 40 5.233 -2.341 20.399 281 H LEU 41 H LEU 41 5.933 -0.290 19.079 282 HA LEU 41 HA LEU 41 8.733 0.551 18.709 283 1HB LEU 41 2HB LEU 41 6.142 2.111 18.988 284 2HB LEU 41 1HB LEU 41 7.720 2.866 18.812 285 HG LEU 41 HG LEU 41 6.473 0.962 16.809 286 1HD1 LEU 41 2HD1 LEU 41 6.688 3.973 16.794 287 2HD1 LEU 41 1HD1 LEU 41 6.208 2.992 15.405 288 3HD1 LEU 41 3HD1 LEU 41 5.211 3.010 16.861 289 1HD2 LEU 41 2HD2 LEU 41 9.144 2.230 17.046 290 2HD2 LEU 41 1HD2 LEU 41 8.640 0.806 16.144 291 3HD2 LEU 41 3HD2 LEU 41 8.385 2.409 15.465 292 HA PRO 42 HA PRO 42 9.343 0.989 23.083 293 1HB PRO 42 2HB PRO 42 11.170 2.984 23.257 294 2HB PRO 42 1HB PRO 42 11.518 1.351 22.662 295 1HG PRO 42 2HG PRO 42 11.343 3.866 21.157 296 2HG PRO 42 1HG PRO 42 12.134 2.342 20.723 297 1HD PRO 42 2HD PRO 42 9.596 3.298 19.803 298 2HD PRO 42 1HD PRO 42 10.376 1.746 19.417 299 H THR 43 H THR 43 9.129 2.230 25.013 300 HA THR 43 HA THR 43 7.021 4.239 24.924 301 HB THR 43 HB THR 43 7.348 3.914 27.541 302 HG1 THR 43 HG1 THR 43 8.178 1.996 28.111 303 1HG2 THR 43 3HG2 THR 43 5.958 2.190 25.526 304 2HG2 THR 43 2HG2 THR 43 5.818 1.848 27.252 305 3HG2 THR 43 1HG2 THR 43 5.308 3.412 26.615 306 H THR 44 H THR 44 7.129 6.162 26.268 307 HA THR 44 HA THR 44 9.053 7.978 25.640 308 HB THR 44 HB THR 44 6.979 8.662 26.477 309 HG1 THR 44 HG1 THR 44 8.508 9.774 28.510 310 1HG2 THR 44 1HG2 THR 44 6.515 6.909 28.143 311 2HG2 THR 44 3HG2 THR 44 7.719 7.612 29.226 312 3HG2 THR 44 2HG2 THR 44 6.263 8.511 28.817 313 H ALA 45 H ALA 45 9.244 5.989 28.546 314 HA ALA 45 HA ALA 45 11.557 7.146 29.740 315 1HB ALA 45 3HB ALA 45 10.591 4.250 29.827 316 2HB ALA 45 2HB ALA 45 11.801 4.935 30.904 317 3HB ALA 45 1HB ALA 45 10.142 5.519 30.963 318 H GLN 46 H GLN 46 11.178 4.435 27.467 319 HA GLN 46 HA GLN 46 13.943 3.844 27.073 320 1HB GLN 46 2HB GLN 46 11.679 3.374 25.095 321 2HB GLN 46 1HB GLN 46 13.212 2.521 25.151 322 1HG GLN 46 2HG GLN 46 11.544 2.419 27.614 323 2HG GLN 46 1HG GLN 46 10.932 1.559 26.207 324 1HE2 GLN 46 2HE2 GLN 46 13.016 -1.174 27.052 325 2HE2 GLN 46 1HE2 GLN 46 11.487 -0.656 26.533 326 H TYR 47 H TYR 47 11.696 6.061 25.504 327 HA TYR 47 HA TYR 47 13.223 6.893 23.276 328 1HB TYR 47 2HB TYR 47 10.868 7.913 24.720 329 2HB TYR 47 1HB TYR 47 11.825 9.169 23.958 330 HD1 TYR 47 HD1 TYR 47 12.439 8.847 21.456 331 HD2 TYR 47 HD2 TYR 47 9.383 6.591 23.485 332 HE1 TYR 47 HE1 TYR 47 11.417 8.265 19.275 333 HE2 TYR 47 HE2 TYR 47 8.370 6.013 21.309 334 HH TYR 47 HH TYR 47 9.786 6.085 18.541 335 H LYS 48 H LYS 48 12.845 8.757 26.376 336 HA LYS 48 HA LYS 48 14.852 10.603 25.738 337 1HB LYS 48 2HB LYS 48 15.069 11.157 28.155 338 2HB LYS 48 1HB LYS 48 13.428 11.208 27.560 339 1HG LYS 48 2HG LYS 48 13.480 8.687 28.571 340 2HG LYS 48 1HG LYS 48 14.698 9.461 29.604 341 1HD LYS 48 2HD LYS 48 12.735 11.381 29.471 342 2HD LYS 48 1HD LYS 48 11.796 9.900 29.482 343 1HE LYS 48 2HE LYS 48 12.376 9.398 31.651 344 2HE LYS 48 1HE LYS 48 13.990 10.079 31.496 345 1HZ LYS 48 3HZ LYS 48 11.491 11.697 31.660 346 2HZ LYS 48 2HZ LYS 48 12.527 11.397 32.970 347 3HZ LYS 48 1HZ LYS 48 13.075 12.290 31.632 348 H LEU 49 H LEU 49 15.105 7.543 27.426 349 HA LEU 49 HA LEU 49 17.849 7.584 28.145 350 1HB LEU 49 2HB LEU 49 15.846 5.429 27.570 351 2HB LEU 49 1HB LEU 49 17.533 4.964 27.736 352 HG LEU 49 HG LEU 49 16.066 6.624 29.778 353 1HD1 LEU 49 2HD1 LEU 49 15.016 4.353 29.407 354 2HD1 LEU 49 1HD1 LEU 49 16.555 3.640 29.899 355 3HD1 LEU 49 3HD1 LEU 49 15.630 4.617 31.036 356 1HD2 LEU 49 2HD2 LEU 49 18.782 5.420 29.532 357 2HD2 LEU 49 1HD2 LEU 49 18.263 6.852 30.415 358 3HD2 LEU 49 3HD2 LEU 49 18.016 5.255 31.112 359 H MET 50 H MET 50 16.276 6.455 25.163 360 HA MET 50 HA MET 50 18.613 5.604 23.773 361 1HB MET 50 2HB MET 50 15.765 6.140 23.011 362 2HB MET 50 1HB MET 50 16.956 6.063 21.718 363 1HG MET 50 2HG MET 50 17.655 3.853 22.409 364 2HG MET 50 1HG MET 50 16.606 3.916 23.827 365 1HE MET 50 2HE MET 50 17.128 3.731 20.184 366 2HE MET 50 1HE MET 50 15.642 3.088 19.488 367 3HE MET 50 3HE MET 50 15.805 4.824 19.804 368 H CYS 51 H CYS 51 16.913 8.729 23.871 369 HA CYS 51 HA CYS 51 18.356 10.017 21.774 370 1HB CYS 51 2HB CYS 51 16.849 11.139 24.144 371 2HB CYS 51 1HB CYS 51 17.643 12.154 22.953 372 H ALA 52 H ALA 52 19.475 9.183 24.956 373 HA ALA 52 HA ALA 52 21.443 11.313 25.117 374 1HB ALA 52 2HB ALA 52 20.897 8.953 26.907 375 2HB ALA 52 1HB ALA 52 22.204 10.102 27.179 376 3HB ALA 52 3HB ALA 52 20.530 10.652 27.216 377 H SER 53 H SER 53 21.562 7.872 24.268 378 HA SER 53 HA SER 53 24.429 7.750 24.281 379 1HB SER 53 2HB SER 53 23.233 5.629 24.519 380 2HB SER 53 1HB SER 53 22.458 5.834 22.971 381 HG SER 53 HG SER 53 24.988 4.914 23.624 382 H THR 54 H THR 54 25.806 8.545 22.947 383 HA THR 54 HA THR 54 25.203 10.092 20.701 384 HB THR 54 HB THR 54 27.250 10.373 22.015 385 HG1 THR 54 HG1 THR 54 28.496 10.928 20.322 386 1HG2 THR 54 3HG2 THR 54 27.832 7.953 22.308 387 2HG2 THR 54 2HG2 THR 54 28.338 7.920 20.617 388 3HG2 THR 54 1HG2 THR 54 29.181 8.952 21.767 389 H ALA 55 H ALA 55 26.104 6.680 20.791 390 HA ALA 55 HA ALA 55 26.635 6.188 18.073 391 1HB ALA 55 2HB ALA 55 26.392 4.570 20.302 392 2HB ALA 55 1HB ALA 55 24.982 4.119 19.371 393 3HB ALA 55 3HB ALA 55 26.575 3.971 18.646 394 H CYS 56 H CYS 56 23.569 5.972 19.811 395 HA CYS 56 HA CYS 56 21.926 5.320 17.688 396 1HB CYS 56 2HB CYS 56 21.441 6.366 20.441 397 2HB CYS 56 1HB CYS 56 20.090 6.385 19.321 398 H ASN 57 H ASN 57 22.711 8.542 18.903 399 HA ASN 57 HA ASN 57 20.971 10.032 17.113 400 1HB ASN 57 2HB ASN 57 23.212 10.693 18.988 401 2HB ASN 57 1HB ASN 57 22.969 11.826 17.679 402 1HD2 ASN 57 2HD2 ASN 57 20.166 11.590 20.646 403 2HD2 ASN 57 1HD2 ASN 57 21.413 10.452 20.574 404 H THR 58 H THR 58 24.330 8.978 16.836 405 HA THR 58 HA THR 58 24.886 10.229 14.328 406 HB THR 58 HB THR 58 25.981 7.623 15.487 407 HG1 THR 58 HG1 THR 58 27.562 8.856 16.458 408 1HG2 THR 58 1HG2 THR 58 26.810 9.275 13.154 409 2HG2 THR 58 3HG2 THR 58 28.085 8.579 14.153 410 3HG2 THR 58 2HG2 THR 58 26.893 7.530 13.400 411 H MET 59 H MET 59 23.637 7.056 15.217 412 HA MET 59 HA MET 59 23.190 5.736 12.806 413 1HB MET 59 2HB MET 59 22.383 5.485 15.532 414 2HB MET 59 1HB MET 59 20.963 5.279 14.546 415 1HG MET 59 2HG MET 59 23.326 3.809 13.569 416 2HG MET 59 1HG MET 59 22.779 3.309 15.151 417 1HE MET 59 2HE MET 59 20.110 3.447 15.579 418 2HE MET 59 1HE MET 59 19.157 3.991 14.211 419 3HE MET 59 3HE MET 59 19.141 2.286 14.680 420 H ILE 60 H ILE 60 20.701 7.506 14.575 421 HA ILE 60 HA ILE 60 18.770 7.529 12.502 422 HB ILE 60 HB ILE 60 18.967 9.236 15.006 423 1HG1 ILE 60 2HG1 ILE 60 17.383 6.715 14.445 424 2HG1 ILE 60 1HG1 ILE 60 18.933 6.726 15.262 425 1HG2 ILE 60 1HG2 ILE 60 17.349 10.009 13.082 426 2HG2 ILE 60 3HG2 ILE 60 16.402 8.598 13.565 427 3HG2 ILE 60 2HG2 ILE 60 16.749 9.874 14.727 428 1HD1 ILE 60 1HD1 ILE 60 18.014 8.212 17.006 429 2HD1 ILE 60 3HD1 ILE 60 16.456 8.182 16.187 430 3HD1 ILE 60 2HD1 ILE 60 17.103 6.703 16.885 431 H LYS 61 H LYS 61 20.912 10.143 13.551 432 HA LYS 61 HA LYS 61 20.086 12.077 11.635 433 1HB LYS 61 2HB LYS 61 21.675 12.433 13.592 434 2HB LYS 61 1HB LYS 61 22.929 11.700 12.608 435 1HG LYS 61 2HG LYS 61 23.199 14.027 12.329 436 2HG LYS 61 1HG LYS 61 22.426 13.484 10.860 437 1HD LYS 61 2HD LYS 61 21.385 15.548 11.634 438 2HD LYS 61 1HD LYS 61 20.229 14.236 11.743 439 1HE LYS 61 2HE LYS 61 20.261 14.223 14.068 440 2HE LYS 61 1HE LYS 61 21.892 14.888 14.163 441 1HZ LYS 61 1HZ LYS 61 19.527 16.417 13.198 442 2HZ LYS 61 3HZ LYS 61 20.121 16.496 14.778 443 3HZ LYS 61 2HZ LYS 61 21.084 17.018 13.488 444 H LYS 62 H LYS 62 22.383 9.420 11.327 445 HA LYS 62 HA LYS 62 23.470 9.988 8.768 446 1HB LYS 62 2HB LYS 62 24.313 8.230 10.366 447 2HB LYS 62 1HB LYS 62 22.942 7.231 9.919 448 1HG LYS 62 2HG LYS 62 24.000 7.774 7.449 449 2HG LYS 62 1HG LYS 62 25.450 7.816 8.445 450 1HD LYS 62 2HD LYS 62 25.133 5.589 9.214 451 2HD LYS 62 1HD LYS 62 23.468 5.555 8.656 452 1HE LYS 62 2HE LYS 62 24.797 4.236 7.144 453 2HE LYS 62 1HE LYS 62 24.321 5.695 6.292 454 1HZ LYS 62 3HZ LYS 62 26.516 6.650 6.871 455 2HZ LYS 62 2HZ LYS 62 26.948 5.180 7.592 456 3HZ LYS 62 1HZ LYS 62 26.648 5.257 5.922 457 H ILE 63 H ILE 63 20.746 7.901 9.634 458 HA ILE 63 HA ILE 63 19.921 7.307 6.960 459 HB ILE 63 HB ILE 63 18.024 7.451 9.312 460 1HG1 ILE 63 2HG1 ILE 63 19.723 6.051 10.188 461 2HG1 ILE 63 1HG1 ILE 63 18.505 4.956 9.579 462 1HG2 ILE 63 2HG2 ILE 63 17.613 6.764 6.641 463 2HG2 ILE 63 1HG2 ILE 63 17.616 5.233 7.516 464 3HG2 ILE 63 3HG2 ILE 63 16.525 6.528 8.003 465 1HD1 ILE 63 2HD1 ILE 63 20.622 5.606 7.616 466 2HD1 ILE 63 1HD1 ILE 63 21.198 4.788 9.069 467 3HD1 ILE 63 3HD1 ILE 63 19.948 4.044 8.076 468 H VAL 64 H VAL 64 19.010 9.943 9.143 469 HA VAL 64 HA VAL 64 16.968 11.075 7.496 470 HB VAL 64 HB VAL 64 18.818 12.380 9.542 471 1HG1 VAL 64 2HG1 VAL 64 16.580 13.519 7.932 472 2HG1 VAL 64 1HG1 VAL 64 16.677 13.988 9.626 473 3HG1 VAL 64 3HG1 VAL 64 18.038 14.298 8.546 474 1HG2 VAL 64 3HG2 VAL 64 17.200 10.505 10.225 475 2HG2 VAL 64 2HG2 VAL 64 17.098 12.014 11.123 476 3HG2 VAL 64 1HG2 VAL 64 15.910 11.653 9.868 477 H THR 65 H THR 65 20.366 11.984 7.729 478 HA THR 65 HA THR 65 20.435 13.808 5.559 479 HB THR 65 HB THR 65 22.808 12.011 6.106 480 HG1 THR 65 HG1 THR 65 22.726 12.705 8.099 481 1HG2 THR 65 3HG2 THR 65 22.555 13.981 4.317 482 2HG2 THR 65 2HG2 THR 65 23.015 14.952 5.707 483 3HG2 THR 65 1HG2 THR 65 24.068 13.652 5.152 484 H LEU 66 H LEU 66 20.719 10.296 5.583 485 HA LEU 66 HA LEU 66 21.483 9.792 2.914 486 1HB LEU 66 2HB LEU 66 20.783 8.215 5.096 487 2HB LEU 66 1HB LEU 66 19.473 7.942 3.982 488 HG LEU 66 HG LEU 66 21.321 6.285 3.911 489 1HD1 LEU 66 2HD1 LEU 66 20.519 7.773 1.446 490 2HD1 LEU 66 1HD1 LEU 66 21.629 6.407 1.341 491 3HD1 LEU 66 3HD1 LEU 66 20.014 6.181 2.015 492 1HD2 LEU 66 2HD2 LEU 66 23.140 8.142 4.138 493 2HD2 LEU 66 1HD2 LEU 66 23.469 6.760 3.096 494 3HD2 LEU 66 3HD2 LEU 66 22.980 8.298 2.393 495 H ASN 67 H ASN 67 18.242 10.226 4.289 496 HA ASN 67 HA ASN 67 16.252 10.836 3.385 497 1HB ASN 67 2HB ASN 67 17.911 12.453 2.129 498 2HB ASN 67 1HB ASN 67 17.480 11.503 0.717 499 1HD2 ASN 67 2HD2 ASN 67 14.825 14.180 2.192 500 2HD2 ASN 67 1HD2 ASN 67 16.345 13.997 2.916 501 HA PRO 68 HA PRO 68 15.731 6.816 1.227 502 1HB PRO 68 2HB PRO 68 13.766 5.891 2.866 503 2HB PRO 68 1HB PRO 68 15.499 5.771 3.252 504 1HG PRO 68 2HG PRO 68 13.445 7.525 4.442 505 2HG PRO 68 1HG PRO 68 14.985 6.970 5.119 506 1HD PRO 68 2HD PRO 68 14.446 9.520 3.969 507 2HD PRO 68 1HD PRO 68 16.021 8.902 4.511 508 HA PRO 69 HA PRO 69 11.880 8.119 -0.822 509 1HB PRO 69 2HB PRO 69 11.125 5.846 -2.096 510 2HB PRO 69 1HB PRO 69 12.541 6.802 -2.570 511 1HG PRO 69 2HG PRO 69 12.462 4.153 -1.326 512 2HG PRO 69 1HG PRO 69 13.805 4.974 -2.141 513 1HD PRO 69 2HD PRO 69 13.325 4.717 0.705 514 2HD PRO 69 1HD PRO 69 14.744 5.421 -0.113 515 H ASN 70 H ASN 70 9.727 8.351 -0.228 516 HA ASN 70 HA ASN 70 8.640 7.055 2.033 517 1HB ASN 70 2HB ASN 70 6.403 8.052 1.282 518 2HB ASN 70 1HB ASN 70 7.687 9.164 1.683 519 1HD2 ASN 70 2HD2 ASN 70 6.294 10.643 -1.301 520 2HD2 ASN 70 1HD2 ASN 70 6.069 10.590 0.382 521 H CYS 71 H CYS 71 8.048 5.135 2.277 522 HA CYS 71 HA CYS 71 6.021 3.809 0.821 523 1HB CYS 71 2HB CYS 71 7.176 1.987 -0.240 524 2HB CYS 71 1HB CYS 71 7.756 3.507 -0.897 525 H ASP 72 H ASP 72 5.681 1.492 1.488 526 HA ASP 72 HA ASP 72 6.432 1.188 4.348 527 1HB ASP 72 2HB ASP 72 4.105 0.252 2.715 528 2HB ASP 72 1HB ASP 72 4.537 -0.606 4.183 529 H LEU 73 H LEU 73 7.908 -0.277 4.867 530 HA LEU 73 HA LEU 73 8.203 -2.684 3.183 531 1HB LEU 73 2HB LEU 73 10.503 -2.526 3.063 532 2HB LEU 73 1HB LEU 73 10.015 -0.857 2.961 533 HG LEU 73 HG LEU 73 10.470 -1.080 5.663 534 1HD1 LEU 73 3HD1 LEU 73 12.363 -2.998 4.253 535 2HD1 LEU 73 2HD1 LEU 73 12.551 -2.417 5.911 536 3HD1 LEU 73 1HD1 LEU 73 11.172 -3.425 5.483 537 1HD2 LEU 73 1HD2 LEU 73 11.482 0.434 3.747 538 2HD2 LEU 73 3HD2 LEU 73 12.396 0.197 5.234 539 3HD2 LEU 73 2HD2 LEU 73 12.810 -0.724 3.793 540 H THR 74 H THR 74 8.464 -4.591 4.075 541 HA THR 74 HA THR 74 7.669 -4.912 6.858 542 HB THR 74 HB THR 74 7.325 -7.249 6.142 543 HG1 THR 74 HG1 THR 74 8.534 -7.746 4.461 544 1HG2 THR 74 1HG2 THR 74 6.024 -5.005 4.630 545 2HG2 THR 74 3HG2 THR 74 5.518 -6.681 4.410 546 3HG2 THR 74 2HG2 THR 74 5.407 -5.931 5.999 547 H VAL 75 H VAL 75 8.651 -6.238 8.326 548 HA VAL 75 HA VAL 75 11.551 -6.674 7.954 549 HB VAL 75 HB VAL 75 9.920 -6.731 10.512 550 1HG1 VAL 75 2HG1 VAL 75 12.102 -7.989 10.564 551 2HG1 VAL 75 1HG1 VAL 75 12.923 -6.463 10.232 552 3HG1 VAL 75 3HG1 VAL 75 12.009 -6.669 11.718 553 1HG2 VAL 75 2HG2 VAL 75 10.346 -4.456 9.101 554 2HG2 VAL 75 1HG2 VAL 75 10.255 -4.495 10.860 555 3HG2 VAL 75 3HG2 VAL 75 11.822 -4.488 10.059 556 HA PRO 76 HA PRO 76 10.131 -10.859 7.216 557 1HB PRO 76 2HB PRO 76 12.597 -11.924 6.752 558 2HB PRO 76 1HB PRO 76 11.664 -11.000 5.552 559 1HG PRO 76 2HG PRO 76 13.970 -10.095 7.236 560 2HG PRO 76 1HG PRO 76 13.557 -9.674 5.560 561 1HD PRO 76 2HD PRO 76 13.021 -8.004 7.637 562 2HD PRO 76 1HD PRO 76 12.041 -8.051 6.154 563 H THR 77 H THR 77 12.373 -10.014 9.814 564 HA THR 77 HA THR 77 11.857 -12.639 11.050 565 HB THR 77 HB THR 77 14.185 -11.752 10.448 566 HG1 THR 77 HG1 THR 77 14.447 -13.477 11.579 567 1HG2 THR 77 2HG2 THR 77 13.485 -9.710 12.315 568 2HG2 THR 77 1HG2 THR 77 14.790 -10.665 13.010 569 3HG2 THR 77 3HG2 THR 77 14.986 -9.928 11.424 570 H SER 78 H SER 78 10.381 -9.703 11.295 571 HA SER 78 HA SER 78 9.912 -9.974 14.215 572 1HB SER 78 2HB SER 78 9.249 -7.684 14.317 573 2HB SER 78 1HB SER 78 10.772 -7.755 13.459 574 HG SER 78 HG SER 78 8.827 -6.468 12.599 575 H GLY 79 H GLY 79 8.123 -9.556 11.190 576 1HA GLY 79 2HA GLY 79 6.037 -10.669 10.717 577 2HA GLY 79 1HA GLY 79 5.739 -10.786 12.442 578 H LEU 80 H LEU 80 6.603 -7.884 10.502 579 HA LEU 80 HA LEU 80 4.040 -6.683 10.455 580 1HB LEU 80 2HB LEU 80 5.028 -6.506 12.990 581 2HB LEU 80 1HB LEU 80 5.632 -5.013 12.290 582 HG LEU 80 HG LEU 80 2.994 -5.074 11.424 583 1HD1 LEU 80 3HD1 LEU 80 2.946 -7.047 13.217 584 2HD1 LEU 80 2HD1 LEU 80 2.698 -5.680 14.309 585 3HD1 LEU 80 1HD1 LEU 80 1.594 -5.950 12.962 586 1HD2 LEU 80 2HD2 LEU 80 4.499 -3.265 12.574 587 2HD2 LEU 80 1HD2 LEU 80 2.754 -3.174 12.771 588 3HD2 LEU 80 3HD2 LEU 80 3.751 -3.838 14.064 589 H VAL 81 H VAL 81 4.042 -4.559 9.584 590 HA VAL 81 HA VAL 81 6.349 -3.844 7.911 591 HB VAL 81 HB VAL 81 4.076 -4.434 7.055 592 1HG1 VAL 81 2HG1 VAL 81 2.831 -2.996 8.773 593 2HG1 VAL 81 1HG1 VAL 81 3.261 -1.626 7.767 594 3HG1 VAL 81 3HG1 VAL 81 2.257 -2.919 7.117 595 1HG2 VAL 81 2HG2 VAL 81 5.854 -3.124 5.780 596 2HG2 VAL 81 1HG2 VAL 81 4.207 -2.916 5.206 597 3HG2 VAL 81 3HG2 VAL 81 4.951 -1.669 6.204 598 H LEU 82 H LEU 82 7.149 -1.713 7.751 599 HA LEU 82 HA LEU 82 6.209 0.292 9.708 600 1HB LEU 82 2HB LEU 82 8.090 -0.874 10.743 601 2HB LEU 82 1HB LEU 82 9.072 -0.578 9.311 602 HG LEU 82 HG LEU 82 8.708 1.939 9.793 603 1HD1 LEU 82 3HD1 LEU 82 7.883 0.762 12.469 604 2HD1 LEU 82 2HD1 LEU 82 8.246 2.457 12.171 605 3HD1 LEU 82 1HD1 LEU 82 6.849 1.707 11.394 606 1HD2 LEU 82 1HD2 LEU 82 10.256 0.194 11.732 607 2HD2 LEU 82 3HD2 LEU 82 10.861 0.891 10.234 608 3HD2 LEU 82 2HD2 LEU 82 10.458 1.935 11.585 609 H ASN 83 H ASN 83 6.371 2.413 9.020 610 HA ASN 83 HA ASN 83 7.155 2.903 6.220 611 1HB ASN 83 2HB ASN 83 4.909 3.748 7.392 612 2HB ASN 83 1HB ASN 83 5.937 5.020 8.036 613 1HD2 ASN 83 2HD2 ASN 83 4.665 5.341 4.226 614 2HD2 ASN 83 1HD2 ASN 83 4.013 4.198 5.301 615 H VAL 84 H VAL 84 9.247 3.122 6.194 616 HA VAL 84 HA VAL 84 10.831 4.245 8.322 617 HB VAL 84 HB VAL 84 11.369 2.896 5.735 618 1HG1 VAL 84 3HG1 VAL 84 13.468 4.460 7.225 619 2HG1 VAL 84 2HG1 VAL 84 13.832 3.085 6.172 620 3HG1 VAL 84 1HG1 VAL 84 13.071 4.529 5.500 621 1HG2 VAL 84 2HG2 VAL 84 10.973 1.687 7.892 622 2HG2 VAL 84 1HG2 VAL 84 12.541 1.346 7.135 623 3HG2 VAL 84 3HG2 VAL 84 12.444 2.453 8.502 624 H TYR 85 H TYR 85 9.750 5.730 5.332 625 HA TYR 85 HA TYR 85 11.554 7.925 5.188 626 1HB TYR 85 2HB TYR 85 9.881 7.323 3.460 627 2HB TYR 85 1HB TYR 85 8.581 7.897 4.444 628 HD1 TYR 85 HD2 TYR 85 8.442 10.430 4.975 629 HD2 TYR 85 HD1 TYR 85 11.350 8.779 2.295 630 HE1 TYR 85 HE2 TYR 85 8.905 12.690 4.075 631 HE2 TYR 85 HE1 TYR 85 11.817 11.033 1.388 632 HH TYR 85 HH TYR 85 9.878 13.825 2.152 633 H SER 86 H SER 86 8.316 8.043 6.571 634 HA SER 86 HA SER 86 8.671 10.547 7.910 635 1HB SER 86 2HB SER 86 6.570 9.974 9.176 636 2HB SER 86 1HB SER 86 6.420 9.892 7.442 637 HG SER 86 HG SER 86 6.190 7.734 7.603 638 H TYR 87 H TYR 87 9.216 7.302 9.132 639 HA TYR 87 HA TYR 87 9.432 7.558 11.865 640 1HB TYR 87 2HB TYR 87 9.786 5.472 10.760 641 2HB TYR 87 1HB TYR 87 11.089 6.123 9.832 642 HD1 TYR 87 HD2 TYR 87 10.142 5.347 13.382 643 HD2 TYR 87 HD1 TYR 87 13.256 5.878 10.483 644 HE1 TYR 87 HE2 TYR 87 11.827 4.561 15.041 645 HE2 TYR 87 HE1 TYR 87 14.951 5.096 12.128 646 HH TYR 87 HH TYR 87 14.545 3.397 14.530 647 H ALA 88 H ALA 88 12.236 7.794 9.795 648 HA ALA 88 HA ALA 88 14.268 8.583 11.338 649 1HB ALA 88 2HB ALA 88 13.517 8.883 8.534 650 2HB ALA 88 1HB ALA 88 14.884 9.868 9.063 651 3HB ALA 88 3HB ALA 88 14.917 8.116 9.273 652 H ASN 89 H ASN 89 12.331 11.068 9.731 653 HA ASN 89 HA ASN 89 13.655 13.245 11.119 654 1HB ASN 89 2HB ASN 89 11.025 13.700 9.773 655 2HB ASN 89 1HB ASN 89 12.399 14.763 9.902 656 1HD2 ASN 89 2HD2 ASN 89 13.922 12.558 7.121 657 2HD2 ASN 89 1HD2 ASN 89 14.372 12.678 8.744 658 H GLY 90 H GLY 90 10.571 11.560 11.613 659 1HA GLY 90 2HA GLY 90 9.387 13.332 13.495 660 2HA GLY 90 1HA GLY 90 9.006 11.627 13.293 661 H PHE 91 H PHE 91 11.713 10.708 13.956 662 HA PHE 91 HA PHE 91 11.606 10.138 16.674 663 1HB PHE 91 2HB PHE 91 13.077 9.165 14.862 664 2HB PHE 91 1HB PHE 91 14.168 10.496 15.137 665 HD1 PHE 91 HD1 PHE 91 15.213 10.773 17.455 666 HD2 PHE 91 HD2 PHE 91 13.032 7.262 16.284 667 HE1 PHE 91 HE1 PHE 91 16.243 9.529 19.324 668 HE2 PHE 91 HE2 PHE 91 14.060 6.010 18.153 669 HZ PHE 91 HZ PHE 91 15.666 7.132 19.680 670 H SER 92 H SER 92 13.863 12.568 15.321 671 HA SER 92 HA SER 92 14.739 13.625 17.800 672 1HB SER 92 2HB SER 92 15.483 15.649 16.327 673 2HB SER 92 1HB SER 92 16.213 14.083 16.080 674 HG SER 92 HG SER 92 15.648 14.625 14.070 675 H ASN 93 H ASN 93 12.361 14.989 15.534 676 HA ASN 93 HA ASN 93 11.613 17.301 16.971 677 1HB ASN 93 2HB ASN 93 10.902 16.303 14.602 678 2HB ASN 93 1HB ASN 93 9.515 15.728 15.506 679 1HD2 ASN 93 2HD2 ASN 93 7.964 18.883 15.255 680 2HD2 ASN 93 1HD2 ASN 93 7.781 17.201 15.377 681 H LYS 94 H LYS 94 10.321 13.981 17.196 682 HA LYS 94 HA LYS 94 8.360 14.504 19.185 683 1HB LYS 94 2HB LYS 94 8.241 12.600 17.618 684 2HB LYS 94 1HB LYS 94 9.683 11.906 18.352 685 1HG LYS 94 2HG LYS 94 7.490 12.544 20.245 686 2HG LYS 94 1HG LYS 94 7.150 11.252 19.087 687 1HD LYS 94 2HD LYS 94 9.464 10.324 19.694 688 2HD LYS 94 1HD LYS 94 9.407 11.413 21.078 689 1HE LYS 94 2HE LYS 94 8.574 9.222 21.751 690 2HE LYS 94 1HE LYS 94 7.257 10.384 21.787 691 1HZ LYS 94 1HZ LYS 94 7.716 8.837 19.315 692 2HZ LYS 94 3HZ LYS 94 6.963 8.091 20.626 693 3HZ LYS 94 2HZ LYS 94 6.268 9.468 19.942 694 H CYS 95 H CYS 95 11.700 13.350 19.403 695 HA CYS 95 HA CYS 95 11.759 12.838 22.218 696 1HB CYS 95 2HB CYS 95 13.586 12.214 20.435 697 2HB CYS 95 1HB CYS 95 14.199 13.840 20.726 698 H SER 96 H SER 96 12.619 15.730 20.338 699 HA SER 96 HA SER 96 13.398 17.475 22.411 700 1HB SER 96 2HB SER 96 12.107 18.064 19.730 701 2HB SER 96 1HB SER 96 12.757 19.304 20.782 702 HG SER 96 HG SER 96 14.717 18.725 20.140 703 H SER 97 H SER 97 10.223 16.846 21.010 704 HA SER 97 HA SER 97 8.791 18.750 22.692 705 1HB SER 97 2HB SER 97 8.079 18.178 20.384 706 2HB SER 97 1HB SER 97 7.758 16.541 20.897 707 HG SER 97 HG SER 97 6.474 18.569 22.359 708 H LEU 98 HN LEU 98 9.544 15.332 22.910 709 HA LEU 98 HA LEU 98 7.655 14.298 24.635 710 1HB LEU 98 2HB LEU 98 9.600 13.157 23.413 711 2HB LEU 98 1HB LEU 98 10.579 13.614 24.779 712 HG LEU 98 HG LEU 98 8.829 12.375 26.224 713 1HD1 LEU 98 2HD1 LEU 98 7.270 12.255 24.097 714 2HD1 LEU 98 1HD1 LEU 98 8.260 10.847 23.703 715 3HD1 LEU 98 3HD1 LEU 98 7.352 10.889 25.214 716 1HD2 LEU 98 3HD2 LEU 98 11.135 11.564 25.660 717 2HD2 LEU 98 2HD2 LEU 98 9.965 10.254 25.841 718 3HD2 LEU 98 1HD2 LEU 98 10.461 10.779 24.229 No H/Q in entry = 718 Start of MODEL 17 1 1H THR 1 3H THR 1 0.490 1.611 0.182 2 2H THR 1 2H THR 1 1.031 3.202 0.427 3 3H THR 1 1H THR 1 -0.355 2.896 -0.506 4 HA THR 1 HA THR 1 0.714 2.173 -2.279 5 HB THR 1 HB THR 1 1.227 4.544 -1.904 6 HG1 THR 1 HG1 THR 1 2.290 4.514 -3.690 7 1HG2 THR 1 1HG2 THR 1 3.881 3.579 -0.825 8 2HG2 THR 1 3HG2 THR 1 3.536 5.234 -1.311 9 3HG2 THR 1 2HG2 THR 1 2.673 4.528 0.050 10 H ALA 2 H ALA 2 3.250 1.854 0.277 11 HA ALA 2 HA ALA 2 4.731 0.182 0.708 12 1HB ALA 2 3HB ALA 2 2.923 -1.438 0.154 13 2HB ALA 2 2HB ALA 2 3.448 -1.397 -1.530 14 3HB ALA 2 1HB ALA 2 4.530 -2.013 -0.288 15 H CYS 3 H CYS 3 6.850 -0.251 0.124 16 HA CYS 3 HA CYS 3 7.827 1.090 -2.270 17 1HB CYS 3 2HB CYS 3 9.525 -0.690 -0.523 18 2HB CYS 3 1HB CYS 3 10.059 0.562 -1.579 19 H THR 4 H THR 4 9.105 0.088 -3.953 20 HA THR 4 HA THR 4 8.161 -2.656 -4.558 21 HB THR 4 HB THR 4 8.574 -2.041 -6.962 22 HG1 THR 4 HG1 THR 4 8.773 0.196 -7.409 23 1HG2 THR 4 1HG2 THR 4 6.403 -1.691 -5.371 24 2HG2 THR 4 3HG2 THR 4 6.594 -0.063 -6.026 25 3HG2 THR 4 2HG2 THR 4 6.402 -1.441 -7.117 26 H ALA 5 H ALA 5 10.749 -1.612 -6.631 27 HA ALA 5 HA ALA 5 12.526 -3.586 -5.319 28 1HB ALA 5 3HB ALA 5 11.936 -4.075 -7.664 29 2HB ALA 5 2HB ALA 5 12.589 -2.519 -8.171 30 3HB ALA 5 1HB ALA 5 13.658 -3.751 -7.507 31 H THR 6 H THR 6 12.770 -0.469 -7.052 32 HA THR 6 HA THR 6 15.396 0.176 -6.175 33 HB THR 6 HB THR 6 13.299 2.164 -7.143 34 HG1 THR 6 HG1 THR 6 13.380 1.012 -8.902 35 1HG2 THR 6 2HG2 THR 6 16.306 2.152 -6.997 36 2HG2 THR 6 1HG2 THR 6 15.442 3.192 -8.126 37 3HG2 THR 6 3HG2 THR 6 15.171 3.362 -6.393 38 H GLN 7 H GLN 7 12.192 1.242 -4.989 39 HA GLN 7 HA GLN 7 13.111 2.952 -2.903 40 1HB GLN 7 2HB GLN 7 10.571 1.384 -3.306 41 2HB GLN 7 1HB GLN 7 10.812 2.317 -1.844 42 1HG GLN 7 2HG GLN 7 10.192 4.198 -2.912 43 2HG GLN 7 1HG GLN 7 11.466 3.975 -4.108 44 1HE2 GLN 7 2HE2 GLN 7 7.652 2.813 -5.034 45 2HE2 GLN 7 1HE2 GLN 7 8.037 3.192 -3.424 46 H GLN 8 H GLN 8 12.329 -0.483 -2.997 47 HA GLN 8 HA GLN 8 12.870 -1.059 -0.264 48 1HB GLN 8 2HB GLN 8 11.467 -2.536 -1.723 49 2HB GLN 8 1HB GLN 8 12.912 -2.963 -2.628 50 1HG GLN 8 2HG GLN 8 13.864 -4.099 -0.743 51 2HG GLN 8 1HG GLN 8 12.680 -3.401 0.356 52 1HE2 GLN 8 2HE2 GLN 8 10.543 -6.165 -0.093 53 2HE2 GLN 8 1HE2 GLN 8 11.161 -4.985 0.965 54 H THR 9 H THR 9 15.003 -1.141 -3.114 55 HA THR 9 HA THR 9 17.211 -2.293 -1.698 56 HB THR 9 HB THR 9 18.531 -1.389 -3.639 57 HG1 THR 9 HG1 THR 9 17.502 0.189 -4.590 58 1HG2 THR 9 1HG2 THR 9 17.565 -3.681 -3.496 59 2HG2 THR 9 3HG2 THR 9 16.195 -3.117 -4.452 60 3HG2 THR 9 2HG2 THR 9 17.821 -3.101 -5.136 61 H ALA 10 H ALA 10 15.946 0.976 -1.914 62 HA ALA 10 HA ALA 10 18.360 2.305 -1.087 63 1HB ALA 10 3HB ALA 10 16.370 3.499 -2.197 64 2HB ALA 10 2HB ALA 10 15.490 3.263 -0.697 65 3HB ALA 10 1HB ALA 10 16.931 4.269 -0.717 66 H ALA 11 H ALA 11 15.367 1.317 0.564 67 HA ALA 11 HA ALA 11 16.155 1.886 3.251 68 1HB ALA 11 2HB ALA 11 13.805 1.342 2.454 69 2HB ALA 11 1HB ALA 11 14.290 -0.350 2.401 70 3HB ALA 11 3HB ALA 11 14.283 0.521 3.939 71 H TYR 12 H TYR 12 16.405 -1.030 1.299 72 HA TYR 12 HA TYR 12 17.578 -2.762 3.244 73 1HB TYR 12 2HB TYR 12 17.143 -2.792 0.307 74 2HB TYR 12 1HB TYR 12 18.489 -3.759 0.855 75 HD1 TYR 12 HD1 TYR 12 15.106 -3.084 2.355 76 HD2 TYR 12 HD2 TYR 12 17.851 -5.994 0.799 77 HE1 TYR 12 HE1 TYR 12 13.517 -4.894 2.966 78 HE2 TYR 12 HE2 TYR 12 16.270 -7.801 1.408 79 HH TYR 12 HH TYR 12 14.102 -7.739 3.468 80 H LYS 13 H LYS 13 18.972 -0.454 0.885 81 HA LYS 13 HA LYS 13 21.684 -1.223 1.107 82 1HB LYS 13 2HB LYS 13 20.873 0.317 -0.632 83 2HB LYS 13 1HB LYS 13 20.507 1.528 0.588 84 1HG LYS 13 2HG LYS 13 23.018 1.425 1.187 85 2HG LYS 13 1HG LYS 13 23.220 0.533 -0.312 86 1HD LYS 13 2HD LYS 13 23.653 2.780 -0.867 87 2HD LYS 13 1HD LYS 13 22.041 2.464 -1.481 88 1HE LYS 13 2HE LYS 13 21.918 3.460 1.255 89 2HE LYS 13 1HE LYS 13 22.859 4.539 0.236 90 1HZ LYS 13 1HZ LYS 13 20.959 4.462 -1.378 91 2HZ LYS 13 3HZ LYS 13 20.054 3.646 -0.200 92 3HZ LYS 13 2HZ LYS 13 20.624 5.217 0.094 93 H THR 14 H THR 14 19.961 1.418 2.899 94 HA THR 14 HA THR 14 22.216 1.675 4.677 95 HB THR 14 HB THR 14 21.040 3.691 4.370 96 HG1 THR 14 HG1 THR 14 21.419 4.172 6.332 97 1HG2 THR 14 1HG2 THR 14 18.492 2.337 5.287 98 2HG2 THR 14 3HG2 THR 14 18.681 4.078 5.120 99 3HG2 THR 14 2HG2 THR 14 18.821 3.050 3.707 100 H LEU 15 H LEU 15 18.983 0.245 5.285 101 HA LEU 15 HA LEU 15 19.502 -0.621 7.918 102 1HB LEU 15 2HB LEU 15 17.248 -0.614 6.759 103 2HB LEU 15 1HB LEU 15 17.719 -2.089 5.941 104 HG LEU 15 HG LEU 15 18.208 -2.355 8.789 105 1HD1 LEU 15 2HD1 LEU 15 15.368 -1.650 7.976 106 2HD1 LEU 15 1HD1 LEU 15 15.854 -2.299 9.538 107 3HD1 LEU 15 3HD1 LEU 15 16.401 -0.698 9.046 108 1HD2 LEU 15 2HD2 LEU 15 17.882 -4.222 7.157 109 2HD2 LEU 15 1HD2 LEU 15 16.781 -4.318 8.525 110 3HD2 LEU 15 3HD2 LEU 15 16.199 -3.730 6.971 111 H VAL 16 H VAL 16 19.882 -2.627 4.955 112 HA VAL 16 HA VAL 16 21.009 -4.830 6.350 113 HB VAL 16 HB VAL 16 21.424 -4.153 3.380 114 1HG1 VAL 16 1HG1 VAL 16 21.767 -6.721 4.923 115 2HG1 VAL 16 3HG1 VAL 16 21.897 -6.565 3.170 116 3HG1 VAL 16 2HG1 VAL 16 23.069 -5.755 4.217 117 1HG2 VAL 16 3HG2 VAL 16 19.004 -4.561 4.228 118 2HG2 VAL 16 2HG2 VAL 16 19.573 -5.578 2.907 119 3HG2 VAL 16 1HG2 VAL 16 19.537 -6.212 4.548 120 H SER 17 H SER 17 22.541 -1.930 4.977 121 HA SER 17 HA SER 17 25.261 -2.686 5.258 122 1HB SER 17 2HB SER 17 23.805 -0.080 5.184 123 2HB SER 17 1HB SER 17 25.364 -0.044 5.973 124 HG SER 17 HG SER 17 25.098 0.166 3.495 125 H ILE 18 H ILE 18 22.908 -1.516 7.654 126 HA ILE 18 HA ILE 18 24.918 -1.498 9.759 127 HB ILE 18 HB ILE 18 22.692 -0.023 9.375 128 1HG1 ILE 18 2HG1 ILE 18 24.118 -0.754 11.942 129 2HG1 ILE 18 1HG1 ILE 18 24.511 0.524 10.810 130 1HG2 ILE 18 1HG2 ILE 18 21.376 -2.256 10.141 131 2HG2 ILE 18 3HG2 ILE 18 21.538 -1.394 11.678 132 3HG2 ILE 18 2HG2 ILE 18 20.797 -0.604 10.294 133 1HD1 ILE 18 1HD1 ILE 18 21.999 0.399 12.499 134 2HD1 ILE 18 3HD1 ILE 18 23.433 1.364 12.867 135 3HD1 ILE 18 2HD1 ILE 18 22.475 1.732 11.430 136 H LEU 19 H LEU 19 23.257 -2.754 11.930 137 HA LEU 19 HA LEU 19 22.821 -4.687 12.904 138 1HB LEU 19 2HB LEU 19 22.947 -6.148 10.243 139 2HB LEU 19 1HB LEU 19 22.193 -6.686 11.723 140 HG LEU 19 HG LEU 19 21.251 -4.483 9.855 141 1HD1 LEU 19 3HD1 LEU 19 20.746 -6.938 9.394 142 2HD1 LEU 19 2HD1 LEU 19 19.734 -6.889 10.836 143 3HD1 LEU 19 1HD1 LEU 19 19.375 -5.832 9.471 144 1HD2 LEU 19 3HD2 LEU 19 20.153 -5.257 12.588 145 2HD2 LEU 19 2HD2 LEU 19 20.823 -3.687 12.140 146 3HD2 LEU 19 1HD2 LEU 19 19.314 -4.238 11.420 147 H SER 20 H SER 20 25.443 -5.045 10.475 148 HA SER 20 HA SER 20 26.970 -6.688 12.397 149 1HB SER 20 2HB SER 20 28.515 -7.058 10.429 150 2HB SER 20 1HB SER 20 26.906 -7.703 10.249 151 HG SER 20 HG SER 20 26.836 -6.514 8.493 152 H ASP 21 H ASP 21 26.648 -3.550 12.275 153 HA ASP 21 HA ASP 21 29.473 -2.701 12.228 154 1HB ASP 21 2HB ASP 21 27.256 -1.677 11.153 155 2HB ASP 21 1HB ASP 21 27.182 -0.868 12.702 156 H ALA 22 H ALA 22 29.722 -0.768 13.994 157 HA ALA 22 HA ALA 22 29.179 -1.965 16.648 158 1HB ALA 22 1HB ALA 22 31.342 -0.068 15.699 159 2HB ALA 22 3HB ALA 22 30.980 -0.288 17.416 160 3HB ALA 22 2HB ALA 22 31.495 -1.659 16.452 161 H SER 23 H SER 23 27.305 -0.090 14.969 162 HA SER 23 HA SER 23 26.853 1.927 17.080 163 1HB SER 23 2HB SER 23 27.153 2.552 14.563 164 2HB SER 23 1HB SER 23 25.538 1.885 14.346 165 HG SER 23 HG SER 23 25.036 3.929 15.010 166 H PHE 24 H PHE 24 24.925 -0.244 14.907 167 HA PHE 24 HA PHE 24 22.556 -0.208 16.501 168 1HB PHE 24 2HB PHE 24 22.776 -1.054 14.103 169 2HB PHE 24 1HB PHE 24 23.585 -2.478 14.750 170 HD1 PHE 24 HD1 PHE 24 20.459 -0.596 14.486 171 HD2 PHE 24 HD2 PHE 24 22.217 -4.275 15.864 172 HE1 PHE 24 HE1 PHE 24 18.203 -1.569 14.771 173 HE2 PHE 24 HE2 PHE 24 19.953 -5.237 16.154 174 HZ PHE 24 HZ PHE 24 17.954 -3.890 15.605 175 H ASN 25 H ASN 25 25.406 -2.327 16.568 176 HA ASN 25 HA ASN 25 24.633 -4.134 18.594 177 1HB ASN 25 2HB ASN 25 26.893 -3.580 17.019 178 2HB ASN 25 1HB ASN 25 27.438 -3.481 18.694 179 1HD2 ASN 25 2HD2 ASN 25 27.801 -7.044 18.558 180 2HD2 ASN 25 1HD2 ASN 25 28.614 -5.585 18.805 181 H GLN 26 H GLN 26 26.278 -1.017 18.770 182 HA GLN 26 HA GLN 26 26.767 -0.920 21.534 183 1HB GLN 26 2HB GLN 26 27.833 0.650 19.888 184 2HB GLN 26 1HB GLN 26 26.296 1.479 19.722 185 1HG GLN 26 2HG GLN 26 26.844 2.770 21.474 186 2HG GLN 26 1HG GLN 26 26.853 1.357 22.514 187 1HE2 GLN 26 2HE2 GLN 26 30.358 1.621 22.971 188 2HE2 GLN 26 1HE2 GLN 26 28.892 1.019 23.572 189 H CYS 27 H CYS 27 24.145 0.459 19.623 190 HA CYS 27 HA CYS 27 22.573 1.648 21.608 191 1HB CYS 27 2HB CYS 27 22.001 0.429 18.915 192 2HB CYS 27 1HB CYS 27 20.660 1.006 19.919 193 H SER 28 H SER 28 22.581 -1.720 20.426 194 HA SER 28 HA SER 28 20.437 -2.760 21.956 195 1HB SER 28 2HB SER 28 21.723 -3.913 20.037 196 2HB SER 28 1HB SER 28 22.946 -4.304 21.221 197 HG SER 28 HG SER 28 21.658 -5.830 21.956 198 H THR 29 H THR 29 23.943 -2.714 22.700 199 HA THR 29 HA THR 29 23.944 -3.902 25.215 200 HB THR 29 HB THR 29 25.779 -1.776 24.160 201 HG1 THR 29 HG1 THR 29 25.894 -4.599 23.846 202 1HG2 THR 29 1HG2 THR 29 26.035 -3.696 26.453 203 2HG2 THR 29 3HG2 THR 29 27.475 -3.094 25.638 204 3HG2 THR 29 2HG2 THR 29 26.368 -1.969 26.415 205 H ASP 30 H ASP 30 23.516 -0.472 24.486 206 HA ASP 30 HA ASP 30 23.453 0.327 27.290 207 1HB ASP 30 2HB ASP 30 23.142 1.753 24.704 208 2HB ASP 30 1HB ASP 30 22.759 2.554 26.217 209 H SER 31 H SER 31 20.879 -0.361 24.970 210 HA SER 31 HA SER 31 18.915 0.552 27.026 211 1HB SER 31 2HB SER 31 19.033 1.866 24.889 212 2HB SER 31 1HB SER 31 18.396 0.444 24.078 213 HG SER 31 HG SER 31 17.181 2.194 25.946 214 H GLY 32 H GLY 32 19.025 -1.888 24.334 215 1HA GLY 32 2HA GLY 32 18.551 -4.206 24.784 216 2HA GLY 32 1HA GLY 32 17.515 -3.714 26.103 217 H TYR 33 H TYR 33 17.168 -2.024 23.036 218 HA TYR 33 HA TYR 33 14.613 -3.438 22.616 219 1HB TYR 33 2HB TYR 33 14.250 -1.064 22.974 220 2HB TYR 33 1HB TYR 33 15.467 -0.631 21.793 221 HD1 TYR 33 HD1 TYR 33 12.404 -2.864 21.890 222 HD2 TYR 33 HD2 TYR 33 14.692 0.045 19.707 223 HE1 TYR 33 HE1 TYR 33 10.753 -2.939 20.058 224 HE2 TYR 33 HE2 TYR 33 13.028 -0.028 17.867 225 HH TYR 33 HH TYR 33 10.326 -0.748 17.842 226 H SER 34 H SER 34 14.600 -4.852 21.035 227 HA SER 34 HA SER 34 16.704 -4.869 18.987 228 1HB SER 34 2HB SER 34 14.539 -6.867 19.728 229 2HB SER 34 1HB SER 34 15.628 -7.085 18.370 230 HG SER 34 HG SER 34 16.316 -8.073 20.396 231 H MET 35 H MET 35 16.283 -3.407 17.410 232 HA MET 35 HA MET 35 13.645 -2.767 16.426 233 1HB MET 35 2HB MET 35 15.490 -1.142 16.371 234 2HB MET 35 1HB MET 35 16.378 -2.177 15.276 235 1HG MET 35 2HG MET 35 14.942 -1.667 13.464 236 2HG MET 35 1HG MET 35 13.652 -1.091 14.521 237 1HE MET 35 3HE MET 35 15.137 0.273 11.933 238 2HE MET 35 2HE MET 35 16.246 1.579 12.312 239 3HE MET 35 1HE MET 35 16.796 -0.081 12.454 240 H LEU 36 H LEU 36 16.255 -4.835 15.248 241 HA LEU 36 HA LEU 36 14.759 -5.559 12.884 242 1HB LEU 36 2HB LEU 36 16.628 -6.446 11.977 243 2HB LEU 36 1HB LEU 36 17.289 -5.221 13.008 244 HG LEU 36 HG LEU 36 18.737 -6.971 13.281 245 1HD1 LEU 36 1HD1 LEU 36 16.781 -7.136 15.508 246 2HD1 LEU 36 3HD1 LEU 36 18.026 -8.376 15.384 247 3HD1 LEU 36 2HD1 LEU 36 18.483 -6.682 15.506 248 1HD2 LEU 36 1HD2 LEU 36 16.789 -8.524 12.107 249 2HD2 LEU 36 3HD2 LEU 36 18.378 -9.077 12.635 250 3HD2 LEU 36 2HD2 LEU 36 16.981 -9.269 13.688 251 H THR 37 H THR 37 14.558 -6.915 16.006 252 HA THR 37 HA THR 37 13.395 -9.369 14.828 253 HB THR 37 HB THR 37 15.030 -9.013 17.361 254 HG1 THR 37 HG1 THR 37 15.528 -10.207 14.842 255 1HG2 THR 37 2HG2 THR 37 13.479 -11.377 16.367 256 2HG2 THR 37 1HG2 THR 37 14.982 -11.615 17.263 257 3HG2 THR 37 3HG2 THR 37 13.635 -10.751 18.009 258 H ALA 38 H ALA 38 12.486 -6.499 16.242 259 HA ALA 38 HA ALA 38 10.169 -7.734 17.611 260 1HB ALA 38 1HB ALA 38 12.044 -6.459 18.914 261 2HB ALA 38 3HB ALA 38 11.168 -5.032 18.359 262 3HB ALA 38 2HB ALA 38 10.346 -6.257 19.336 263 H LYS 39 H LYS 39 8.207 -6.708 17.512 264 HA LYS 39 HA LYS 39 7.804 -4.845 15.242 265 1HB LYS 39 2HB LYS 39 5.738 -5.928 14.801 266 2HB LYS 39 1HB LYS 39 6.983 -7.147 14.917 267 1HG LYS 39 2HG LYS 39 5.323 -6.541 17.348 268 2HG LYS 39 1HG LYS 39 4.585 -7.415 16.013 269 1HD LYS 39 2HD LYS 39 6.773 -8.895 16.156 270 2HD LYS 39 1HD LYS 39 6.841 -8.263 17.798 271 1HE LYS 39 2HE LYS 39 5.022 -9.433 18.480 272 2HE LYS 39 1HE LYS 39 4.180 -9.246 16.952 273 1HZ LYS 39 3HZ LYS 39 6.529 -11.036 17.243 274 2HZ LYS 39 2HZ LYS 39 4.945 -11.570 17.545 275 3HZ LYS 39 1HZ LYS 39 5.381 -11.005 16.002 276 H ALA 40 H ALA 40 7.938 -4.462 18.466 277 HA ALA 40 HA ALA 40 5.669 -2.540 18.587 278 1HB ALA 40 1HB ALA 40 5.368 -4.500 20.061 279 2HB ALA 40 3HB ALA 40 6.911 -4.134 20.836 280 3HB ALA 40 2HB ALA 40 5.560 -3.008 20.981 281 H LEU 41 H LEU 41 6.254 -0.452 18.944 282 HA LEU 41 HA LEU 41 8.985 0.378 19.171 283 1HB LEU 41 2HB LEU 41 6.417 1.959 19.430 284 2HB LEU 41 1HB LEU 41 8.014 2.695 19.412 285 HG LEU 41 HG LEU 41 7.074 0.869 17.190 286 1HD1 LEU 41 2HD1 LEU 41 5.487 2.764 17.400 287 2HD1 LEU 41 1HD1 LEU 41 6.844 3.885 17.240 288 3HD1 LEU 41 3HD1 LEU 41 6.421 2.812 15.907 289 1HD2 LEU 41 2HD2 LEU 41 9.572 1.719 17.659 290 2HD2 LEU 41 1HD2 LEU 41 8.927 1.588 16.024 291 3HD2 LEU 41 3HD2 LEU 41 8.974 3.153 16.829 292 HA PRO 42 HA PRO 42 9.410 0.380 23.545 293 1HB PRO 42 2HB PRO 42 11.580 1.979 23.853 294 2HB PRO 42 1HB PRO 42 11.622 0.299 23.274 295 1HG PRO 42 2HG PRO 42 11.994 2.811 21.756 296 2HG PRO 42 1HG PRO 42 12.574 1.174 21.393 297 1HD PRO 42 2HD PRO 42 10.351 2.461 20.219 298 2HD PRO 42 1HD PRO 42 10.802 0.753 20.044 299 H THR 43 H THR 43 9.014 1.561 25.472 300 HA THR 43 HA THR 43 7.286 3.775 25.419 301 HB THR 43 HB THR 43 8.806 3.051 27.907 302 HG1 THR 43 HG1 THR 43 8.009 1.117 27.886 303 1HG2 THR 43 1HG2 THR 43 6.059 4.062 27.269 304 2HG2 THR 43 3HG2 THR 43 6.378 3.244 28.795 305 3HG2 THR 43 2HG2 THR 43 7.249 4.719 28.392 306 H THR 44 H THR 44 7.495 5.896 26.302 307 HA THR 44 HA THR 44 9.389 7.540 25.303 308 HB THR 44 HB THR 44 7.190 8.139 26.357 309 HG1 THR 44 HG1 THR 44 8.373 9.768 25.540 310 1HG2 THR 44 3HG2 THR 44 8.297 7.437 28.820 311 2HG2 THR 44 2HG2 THR 44 8.386 9.196 28.798 312 3HG2 THR 44 1HG2 THR 44 6.843 8.399 28.560 313 H ALA 45 H ALA 45 9.769 5.909 28.377 314 HA ALA 45 HA ALA 45 12.068 7.237 29.401 315 1HB ALA 45 2HB ALA 45 10.561 5.604 30.641 316 2HB ALA 45 1HB ALA 45 11.308 4.301 29.729 317 3HB ALA 45 3HB ALA 45 12.276 5.266 30.841 318 H GLN 46 H GLN 46 11.726 4.252 27.464 319 HA GLN 46 HA GLN 46 14.481 3.756 26.998 320 1HB GLN 46 2HB GLN 46 11.996 2.915 25.453 321 2HB GLN 46 1HB GLN 46 13.604 2.359 25.021 322 1HG GLN 46 2HG GLN 46 12.431 1.985 27.782 323 2HG GLN 46 1HG GLN 46 12.206 0.800 26.500 324 1HE2 GLN 46 2HE2 GLN 46 15.398 -0.628 27.299 325 2HE2 GLN 46 1HE2 GLN 46 13.823 -0.935 26.748 326 H TYR 47 H TYR 47 12.070 5.621 25.214 327 HA TYR 47 HA TYR 47 13.542 6.325 22.906 328 1HB TYR 47 2HB TYR 47 11.181 7.397 24.317 329 2HB TYR 47 1HB TYR 47 12.055 8.595 23.405 330 HD1 TYR 47 HD2 TYR 47 12.871 6.403 21.134 331 HD2 TYR 47 HD1 TYR 47 9.220 7.624 23.050 332 HE1 TYR 47 HE2 TYR 47 11.580 5.677 19.156 333 HE2 TYR 47 HE1 TYR 47 7.937 6.895 21.063 334 HH TYR 47 HH TYR 47 8.943 6.551 18.238 335 H LYS 48 H LYS 48 13.393 7.879 26.095 336 HA LYS 48 HA LYS 48 15.021 10.136 25.506 337 1HB LYS 48 2HB LYS 48 13.472 9.461 27.651 338 2HB LYS 48 1HB LYS 48 15.051 9.026 28.274 339 1HG LYS 48 2HG LYS 48 14.493 11.304 28.926 340 2HG LYS 48 1HG LYS 48 15.860 11.313 27.832 341 1HD LYS 48 2HD LYS 48 13.365 11.550 26.349 342 2HD LYS 48 1HD LYS 48 13.469 12.784 27.598 343 1HE LYS 48 2HE LYS 48 15.249 13.842 26.625 344 2HE LYS 48 1HE LYS 48 15.957 12.337 26.063 345 1HZ LYS 48 2HZ LYS 48 13.515 13.485 24.816 346 2HZ LYS 48 1HZ LYS 48 15.072 13.926 24.333 347 3HZ LYS 48 3HZ LYS 48 14.593 12.314 24.185 348 H LEU 49 H LEU 49 15.805 7.064 27.099 349 HA LEU 49 HA LEU 49 18.594 7.417 27.384 350 1HB LEU 49 2HB LEU 49 17.073 4.840 26.816 351 2HB LEU 49 1HB LEU 49 18.757 4.890 27.340 352 HG LEU 49 HG LEU 49 16.522 6.165 28.901 353 1HD1 LEU 49 2HD1 LEU 49 16.076 3.726 28.597 354 2HD1 LEU 49 1HD1 LEU 49 17.625 3.392 29.375 355 3HD1 LEU 49 3HD1 LEU 49 16.342 4.203 30.272 356 1HD2 LEU 49 3HD2 LEU 49 19.046 6.669 29.329 357 2HD2 LEU 49 2HD2 LEU 49 18.034 6.243 30.707 358 3HD2 LEU 49 1HD2 LEU 49 19.097 5.035 29.994 359 H MET 50 H MET 50 16.760 6.075 24.664 360 HA MET 50 HA MET 50 18.878 5.519 22.889 361 1HB MET 50 2HB MET 50 15.946 6.116 22.437 362 2HB MET 50 1HB MET 50 17.051 5.950 21.081 363 1HG MET 50 2HG MET 50 17.702 3.767 22.663 364 2HG MET 50 1HG MET 50 15.945 3.859 22.802 365 1HE MET 50 3HE MET 50 14.603 4.692 20.833 366 2HE MET 50 2HE MET 50 14.666 3.918 19.253 367 3HE MET 50 1HE MET 50 14.302 2.948 20.677 368 H CYS 51 H CYS 51 16.994 8.566 23.320 369 HA CYS 51 HA CYS 51 18.287 9.899 21.154 370 1HB CYS 51 2HB CYS 51 16.307 10.667 23.109 371 2HB CYS 51 1HB CYS 51 17.540 11.920 22.984 372 H ALA 52 H ALA 52 19.268 9.517 24.506 373 HA ALA 52 HA ALA 52 21.327 11.529 24.464 374 1HB ALA 52 3HB ALA 52 20.468 9.456 26.411 375 2HB ALA 52 2HB ALA 52 22.140 10.000 26.513 376 3HB ALA 52 1HB ALA 52 20.826 11.167 26.650 377 H SER 53 H SER 53 21.394 8.095 23.657 378 HA SER 53 HA SER 53 24.256 7.844 23.693 379 1HB SER 53 2HB SER 53 23.878 5.699 22.430 380 2HB SER 53 1HB SER 53 23.067 5.811 23.980 381 HG SER 53 HG SER 53 21.317 5.438 22.845 382 H THR 54 H THR 54 25.737 8.201 22.232 383 HA THR 54 HA THR 54 25.336 9.783 19.929 384 HB THR 54 HB THR 54 27.723 9.237 19.407 385 HG1 THR 54 HG1 THR 54 28.189 7.257 20.094 386 1HG2 THR 54 2HG2 THR 54 26.825 10.859 21.271 387 2HG2 THR 54 1HG2 THR 54 27.609 9.715 22.354 388 3HG2 THR 54 3HG2 THR 54 28.553 10.537 21.110 389 H ALA 55 H ALA 55 26.011 6.342 20.232 390 HA ALA 55 HA ALA 55 26.145 5.469 17.612 391 1HB ALA 55 3HB ALA 55 24.982 4.049 19.999 392 2HB ALA 55 2HB ALA 55 25.074 3.307 18.409 393 3HB ALA 55 1HB ALA 55 26.554 3.809 19.223 394 H CYS 56 H CYS 56 23.139 5.372 19.485 395 HA CYS 56 HA CYS 56 21.420 4.586 17.457 396 1HB CYS 56 2HB CYS 56 20.749 6.250 19.909 397 2HB CYS 56 1HB CYS 56 19.554 5.507 18.851 398 H ASN 57 H ASN 57 22.228 7.815 18.521 399 HA ASN 57 HA ASN 57 20.595 9.414 16.785 400 1HB ASN 57 2HB ASN 57 22.287 9.875 18.908 401 2HB ASN 57 1HB ASN 57 23.279 10.452 17.578 402 1HD2 ASN 57 2HD2 ASN 57 20.029 12.576 18.803 403 2HD2 ASN 57 1HD2 ASN 57 20.386 11.076 19.507 404 H THR 58 H THR 58 23.842 8.055 16.395 405 HA THR 58 HA THR 58 24.418 9.257 13.883 406 HB THR 58 HB THR 58 25.496 6.682 15.117 407 HG1 THR 58 HG1 THR 58 26.697 7.995 16.249 408 1HG2 THR 58 3HG2 THR 58 26.506 8.293 12.763 409 2HG2 THR 58 2HG2 THR 58 27.490 7.124 13.639 410 3HG2 THR 58 1HG2 THR 58 26.042 6.592 12.791 411 H MET 59 H MET 59 22.782 6.242 14.699 412 HA MET 59 HA MET 59 22.482 5.238 12.037 413 1HB MET 59 2HB MET 59 20.332 4.653 14.035 414 2HB MET 59 1HB MET 59 20.944 3.645 12.756 415 1HG MET 59 2HG MET 59 22.961 3.172 14.091 416 2HG MET 59 1HG MET 59 22.405 4.275 15.349 417 1HE MET 59 2HE MET 59 19.829 4.063 16.234 418 2HE MET 59 1HE MET 59 18.980 3.240 14.937 419 3HE MET 59 3HE MET 59 19.078 2.504 16.547 420 H ILE 60 H ILE 60 20.058 6.836 14.067 421 HA ILE 60 HA ILE 60 18.146 7.113 11.989 422 HB ILE 60 HB ILE 60 18.276 8.830 14.515 423 1HG1 ILE 60 2HG1 ILE 60 16.727 6.262 14.003 424 2HG1 ILE 60 1HG1 ILE 60 18.286 6.290 14.814 425 1HG2 ILE 60 2HG2 ILE 60 16.117 8.231 12.472 426 2HG2 ILE 60 1HG2 ILE 60 15.752 8.838 14.084 427 3HG2 ILE 60 3HG2 ILE 60 16.732 9.810 12.985 428 1HD1 ILE 60 1HD1 ILE 60 15.834 7.794 15.726 429 2HD1 ILE 60 3HD1 ILE 60 16.411 6.274 16.403 430 3HD1 ILE 60 2HD1 ILE 60 17.389 7.737 16.563 431 H LYS 61 H LYS 61 20.456 9.484 13.233 432 HA LYS 61 HA LYS 61 19.881 11.622 11.471 433 1HB LYS 61 2HB LYS 61 21.401 11.870 13.345 434 2HB LYS 61 1HB LYS 61 22.506 10.700 12.647 435 1HG LYS 61 2HG LYS 61 23.066 12.255 10.843 436 2HG LYS 61 1HG LYS 61 21.839 13.394 11.409 437 1HD LYS 61 2HD LYS 61 24.040 14.065 12.268 438 2HD LYS 61 1HD LYS 61 22.960 13.587 13.569 439 1HE LYS 61 2HE LYS 61 24.194 11.763 14.126 440 2HE LYS 61 1HE LYS 61 24.652 11.402 12.466 441 1HZ LYS 61 2HZ LYS 61 25.736 13.728 13.961 442 2HZ LYS 61 1HZ LYS 61 26.472 12.193 13.974 443 3HZ LYS 61 3HZ LYS 61 26.323 13.042 12.521 444 H LYS 62 H LYS 62 21.727 8.675 10.886 445 HA LYS 62 HA LYS 62 22.931 9.355 8.390 446 1HB LYS 62 2HB LYS 62 22.485 6.881 9.949 447 2HB LYS 62 1HB LYS 62 22.502 6.616 8.219 448 1HG LYS 62 2HG LYS 62 24.710 7.522 8.016 449 2HG LYS 62 1HG LYS 62 24.676 8.142 9.672 450 1HD LYS 62 2HD LYS 62 24.872 6.032 10.630 451 2HD LYS 62 1HD LYS 62 24.240 5.208 9.213 452 1HE LYS 62 2HE LYS 62 26.682 4.851 9.520 453 2HE LYS 62 1HE LYS 62 26.305 5.617 7.985 454 1HZ LYS 62 2HZ LYS 62 26.950 7.263 10.357 455 2HZ LYS 62 1HZ LYS 62 28.190 6.567 9.423 456 3HZ LYS 62 3HZ LYS 62 27.112 7.666 8.720 457 H ILE 63 H ILE 63 19.993 7.551 9.163 458 HA ILE 63 HA ILE 63 19.023 7.262 6.489 459 HB ILE 63 HB ILE 63 17.353 7.256 9.035 460 1HG1 ILE 63 2HG1 ILE 63 18.710 4.949 7.583 461 2HG1 ILE 63 1HG1 ILE 63 19.285 5.646 9.086 462 1HG2 ILE 63 3HG2 ILE 63 16.088 7.414 6.881 463 2HG2 ILE 63 2HG2 ILE 63 16.879 5.930 6.346 464 3HG2 ILE 63 1HG2 ILE 63 15.802 5.904 7.748 465 1HD1 ILE 63 1HD1 ILE 63 16.703 5.096 9.746 466 2HD1 ILE 63 3HD1 ILE 63 17.040 3.807 8.583 467 3HD1 ILE 63 2HD1 ILE 63 18.060 3.997 10.013 468 H VAL 64 H VAL 64 18.566 9.812 8.888 469 HA VAL 64 HA VAL 64 16.524 11.278 7.527 470 HB VAL 64 HB VAL 64 18.607 12.263 9.501 471 1HG1 VAL 64 3HG1 VAL 64 16.013 13.483 8.521 472 2HG1 VAL 64 2HG1 VAL 64 16.826 14.023 9.988 473 3HG1 VAL 64 1HG1 VAL 64 17.631 14.179 8.430 474 1HG2 VAL 64 3HG2 VAL 64 16.428 10.503 9.955 475 2HG2 VAL 64 2HG2 VAL 64 17.420 11.312 11.164 476 3HG2 VAL 64 1HG2 VAL 64 15.937 12.071 10.599 477 H THR 65 H THR 65 20.016 11.916 7.725 478 HA THR 65 HA THR 65 20.096 13.966 5.773 479 HB THR 65 HB THR 65 22.400 12.015 6.094 480 HG1 THR 65 HG1 THR 65 21.660 14.118 7.878 481 1HG2 THR 65 1HG2 THR 65 22.432 13.882 4.393 482 2HG2 THR 65 3HG2 THR 65 22.459 15.008 5.748 483 3HG2 THR 65 2HG2 THR 65 23.777 13.860 5.527 484 H LEU 66 H LEU 66 20.373 10.477 5.421 485 HA LEU 66 HA LEU 66 20.890 10.269 2.657 486 1HB LEU 66 2HB LEU 66 21.178 8.352 4.017 487 2HB LEU 66 1HB LEU 66 19.600 8.529 4.727 488 HG LEU 66 HG LEU 66 18.569 7.371 3.010 489 1HD1 LEU 66 2HD1 LEU 66 20.682 8.552 1.261 490 2HD1 LEU 66 1HD1 LEU 66 20.091 6.970 0.781 491 3HD1 LEU 66 3HD1 LEU 66 18.970 8.322 0.927 492 1HD2 LEU 66 3HD2 LEU 66 20.245 5.990 4.179 493 2HD2 LEU 66 2HD2 LEU 66 19.873 5.408 2.554 494 3HD2 LEU 66 1HD2 LEU 66 21.378 6.279 2.858 495 H ASN 67 H ASN 67 17.785 10.408 4.357 496 HA ASN 67 HA ASN 67 15.671 10.920 3.763 497 1HB ASN 67 2HB ASN 67 17.312 12.542 1.910 498 2HB ASN 67 1HB ASN 67 15.643 12.314 1.419 499 1HD2 ASN 67 2HD2 ASN 67 16.451 14.909 4.380 500 2HD2 ASN 67 1HD2 ASN 67 17.686 14.182 3.475 501 HA PRO 68 HA PRO 68 15.138 7.375 0.871 502 1HB PRO 68 2HB PRO 68 13.485 5.971 2.502 503 2HB PRO 68 1HB PRO 68 15.250 5.931 2.623 504 1HG PRO 68 2HG PRO 68 13.296 7.234 4.418 505 2HG PRO 68 1HG PRO 68 14.940 6.654 4.759 506 1HD PRO 68 2HD PRO 68 14.154 9.342 4.300 507 2HD PRO 68 1HD PRO 68 15.811 8.720 4.440 508 HA PRO 69 HA PRO 69 11.100 8.523 -0.738 509 1HB PRO 69 2HB PRO 69 10.195 6.208 -1.846 510 2HB PRO 69 1HB PRO 69 11.497 7.196 -2.536 511 1HG PRO 69 2HG PRO 69 11.686 4.602 -1.094 512 2HG PRO 69 1HG PRO 69 12.747 5.293 -2.334 513 1HD PRO 69 2HD PRO 69 13.290 5.274 0.412 514 2HD PRO 69 1HD PRO 69 14.108 6.267 -0.812 515 H ASN 70 H ASN 70 8.808 8.457 -0.382 516 HA ASN 70 HA ASN 70 8.001 7.361 2.194 517 1HB ASN 70 2HB ASN 70 7.169 9.543 1.832 518 2HB ASN 70 1HB ASN 70 6.638 9.179 0.197 519 1HD2 ASN 70 2HD2 ASN 70 3.388 8.660 1.468 520 2HD2 ASN 70 1HD2 ASN 70 4.346 9.415 0.290 521 H CYS 71 H CYS 71 7.619 5.274 2.282 522 HA CYS 71 HA CYS 71 5.347 4.094 1.116 523 1HB CYS 71 2HB CYS 71 6.484 2.273 -0.211 524 2HB CYS 71 1HB CYS 71 6.399 3.847 -0.966 525 H ASP 72 H ASP 72 4.922 1.904 1.780 526 HA ASP 72 HA ASP 72 5.840 1.331 4.452 527 1HB ASP 72 2HB ASP 72 4.005 -0.174 2.591 528 2HB ASP 72 1HB ASP 72 4.369 -0.706 4.226 529 H LEU 73 H LEU 73 7.309 -0.035 5.170 530 HA LEU 73 HA LEU 73 8.646 -1.951 3.336 531 1HB LEU 73 2HB LEU 73 9.805 -0.222 5.540 532 2HB LEU 73 1HB LEU 73 10.685 -1.555 4.803 533 HG LEU 73 HG LEU 73 9.432 0.460 2.983 534 1HD1 LEU 73 1HD1 LEU 73 10.640 1.775 4.775 535 2HD1 LEU 73 3HD1 LEU 73 12.123 0.973 4.259 536 3HD1 LEU 73 2HD1 LEU 73 11.243 2.005 3.137 537 1HD2 LEU 73 2HD2 LEU 73 11.794 -1.410 2.986 538 2HD2 LEU 73 1HD2 LEU 73 10.477 -1.279 1.822 539 3HD2 LEU 73 3HD2 LEU 73 11.741 -0.054 1.862 540 H THR 74 H THR 74 7.876 -3.917 3.857 541 HA THR 74 HA THR 74 7.069 -4.718 6.535 542 HB THR 74 HB THR 74 7.477 -6.738 4.387 543 HG1 THR 74 HG1 THR 74 5.504 -4.727 4.237 544 1HG2 THR 74 2HG2 THR 74 5.391 -6.363 6.527 545 2HG2 THR 74 1HG2 THR 74 5.353 -7.641 5.316 546 3HG2 THR 74 3HG2 THR 74 6.682 -7.557 6.465 547 H VAL 75 H VAL 75 8.021 -6.279 7.831 548 HA VAL 75 HA VAL 75 10.832 -7.024 7.221 549 HB VAL 75 HB VAL 75 9.641 -6.474 9.963 550 1HG1 VAL 75 2HG1 VAL 75 12.469 -7.115 9.088 551 2HG1 VAL 75 1HG1 VAL 75 12.056 -6.472 10.676 552 3HG1 VAL 75 3HG1 VAL 75 11.440 -8.045 10.177 553 1HG2 VAL 75 1HG2 VAL 75 10.034 -4.456 8.379 554 2HG2 VAL 75 3HG2 VAL 75 10.751 -4.386 9.988 555 3HG2 VAL 75 2HG2 VAL 75 11.746 -4.801 8.595 556 HA PRO 76 HA PRO 76 8.984 -11.112 7.539 557 1HB PRO 76 2HB PRO 76 11.211 -12.551 6.887 558 2HB PRO 76 1HB PRO 76 10.182 -11.728 5.703 559 1HG PRO 76 2HG PRO 76 12.856 -10.926 6.729 560 2HG PRO 76 1HG PRO 76 12.115 -10.624 5.147 561 1HD PRO 76 2HD PRO 76 12.282 -8.726 7.176 562 2HD PRO 76 1HD PRO 76 11.160 -8.673 5.803 563 H THR 77 H THR 77 11.864 -10.196 9.384 564 HA THR 77 HA THR 77 12.021 -12.470 11.122 565 HB THR 77 HB THR 77 13.203 -10.593 12.603 566 HG1 THR 77 HG1 THR 77 13.868 -9.369 10.213 567 1HG2 THR 77 1HG2 THR 77 14.075 -12.368 10.464 568 2HG2 THR 77 3HG2 THR 77 15.167 -10.994 10.696 569 3HG2 THR 77 2HG2 THR 77 14.773 -12.045 12.050 570 H SER 78 H SER 78 11.110 -9.146 11.967 571 HA SER 78 HA SER 78 9.844 -9.745 14.445 572 1HB SER 78 2HB SER 78 8.813 -7.407 14.151 573 2HB SER 78 1HB SER 78 10.556 -7.527 14.219 574 HG SER 78 HG SER 78 9.840 -6.179 12.495 575 H GLY 79 H GLY 79 8.472 -9.491 11.211 576 1HA GLY 79 2HA GLY 79 6.491 -10.441 10.387 577 2HA GLY 79 1HA GLY 79 6.058 -10.922 12.031 578 H LEU 80 H LEU 80 6.712 -7.834 10.384 579 HA LEU 80 HA LEU 80 4.092 -6.729 10.725 580 1HB LEU 80 2HB LEU 80 5.513 -6.666 13.034 581 2HB LEU 80 1HB LEU 80 5.991 -5.127 12.338 582 HG LEU 80 HG LEU 80 3.368 -4.891 11.931 583 1HD1 LEU 80 3HD1 LEU 80 3.525 -6.766 14.310 584 2HD1 LEU 80 2HD1 LEU 80 2.093 -5.870 13.811 585 3HD1 LEU 80 1HD1 LEU 80 2.762 -7.113 12.759 586 1HD2 LEU 80 1HD2 LEU 80 5.160 -3.755 13.631 587 2HD2 LEU 80 3HD2 LEU 80 3.448 -3.348 13.610 588 3HD2 LEU 80 2HD2 LEU 80 4.064 -4.500 14.790 589 H VAL 81 H VAL 81 4.020 -4.395 10.050 590 HA VAL 81 HA VAL 81 6.009 -3.807 7.941 591 HB VAL 81 HB VAL 81 3.193 -2.759 8.331 592 1HG1 VAL 81 3HG1 VAL 81 5.271 -2.268 6.211 593 2HG1 VAL 81 2HG1 VAL 81 3.555 -2.177 5.813 594 3HG1 VAL 81 1HG1 VAL 81 4.229 -1.111 7.039 595 1HG2 VAL 81 2HG2 VAL 81 3.300 -5.197 7.721 596 2HG2 VAL 81 1HG2 VAL 81 2.537 -4.199 6.490 597 3HG2 VAL 81 3HG2 VAL 81 4.196 -4.746 6.267 598 H LEU 82 H LEU 82 7.156 -1.933 7.977 599 HA LEU 82 HA LEU 82 6.644 0.138 10.037 600 1HB LEU 82 2HB LEU 82 8.439 -1.292 10.855 601 2HB LEU 82 1HB LEU 82 9.305 -1.127 9.343 602 HG LEU 82 HG LEU 82 9.519 1.347 9.833 603 1HD1 LEU 82 2HD1 LEU 82 8.283 0.476 12.453 604 2HD1 LEU 82 1HD1 LEU 82 9.244 1.940 12.294 605 3HD1 LEU 82 3HD1 LEU 82 7.743 1.772 11.385 606 1HD2 LEU 82 1HD2 LEU 82 11.251 -0.423 10.372 607 2HD2 LEU 82 3HD2 LEU 82 11.361 1.049 11.333 608 3HD2 LEU 82 2HD2 LEU 82 10.647 -0.409 12.027 609 H ASN 83 H ASN 83 6.860 2.200 9.376 610 HA ASN 83 HA ASN 83 7.544 2.721 6.547 611 1HB ASN 83 2HB ASN 83 5.271 3.423 7.811 612 2HB ASN 83 1HB ASN 83 6.234 4.822 8.262 613 1HD2 ASN 83 2HD2 ASN 83 4.995 4.385 4.409 614 2HD2 ASN 83 1HD2 ASN 83 4.737 3.131 5.517 615 H VAL 84 H VAL 84 9.699 2.818 6.639 616 HA VAL 84 HA VAL 84 11.300 4.102 8.585 617 HB VAL 84 HB VAL 84 12.076 3.421 5.722 618 1HG1 VAL 84 1HG1 VAL 84 13.686 4.913 6.869 619 2HG1 VAL 84 3HG1 VAL 84 13.786 3.767 8.205 620 3HG1 VAL 84 2HG1 VAL 84 14.361 3.308 6.603 621 1HG2 VAL 84 3HG2 VAL 84 12.238 1.784 8.282 622 2HG2 VAL 84 2HG2 VAL 84 11.279 1.405 6.853 623 3HG2 VAL 84 1HG2 VAL 84 13.033 1.347 6.772 624 H TYR 85 H TYR 85 9.808 5.429 5.700 625 HA TYR 85 HA TYR 85 11.255 7.799 5.300 626 1HB TYR 85 2HB TYR 85 9.430 7.067 3.785 627 2HB TYR 85 1HB TYR 85 8.236 7.426 4.994 628 HD1 TYR 85 HD2 TYR 85 10.751 8.874 2.734 629 HD2 TYR 85 HD1 TYR 85 7.555 9.759 5.454 630 HE1 TYR 85 HE2 TYR 85 10.733 11.215 1.936 631 HE2 TYR 85 HE1 TYR 85 7.533 12.103 4.663 632 HH TYR 85 HH TYR 85 8.490 13.201 2.086 633 H SER 86 H SER 86 8.176 7.584 7.065 634 HA SER 86 HA SER 86 8.448 10.107 8.375 635 1HB SER 86 2HB SER 86 6.268 8.639 8.140 636 2HB SER 86 1HB SER 86 6.791 7.945 9.666 637 HG SER 86 HG SER 86 6.194 9.758 10.601 638 H TYR 87 H TYR 87 9.663 6.992 9.323 639 HA TYR 87 HA TYR 87 10.213 7.378 12.051 640 1HB TYR 87 2HB TYR 87 10.521 5.261 10.702 641 2HB TYR 87 1HB TYR 87 11.955 5.972 10.026 642 HD1 TYR 87 HD1 TYR 87 10.498 5.663 13.483 643 HD2 TYR 87 HD2 TYR 87 13.908 5.347 10.904 644 HE1 TYR 87 HE1 TYR 87 11.899 4.976 15.434 645 HE2 TYR 87 HE2 TYR 87 15.321 4.658 12.842 646 HH TYR 87 HH TYR 87 14.468 3.438 15.395 647 H ALA 88 H ALA 88 12.407 7.864 9.295 648 HA ALA 88 HA ALA 88 14.580 9.024 10.657 649 1HB ALA 88 2HB ALA 88 13.646 8.787 7.855 650 2HB ALA 88 1HB ALA 88 14.909 9.984 8.167 651 3HB ALA 88 3HB ALA 88 15.171 8.288 8.586 652 H ASN 89 H ASN 89 12.570 10.954 8.472 653 HA ASN 89 HA ASN 89 13.331 13.426 9.604 654 1HB ASN 89 2HB ASN 89 11.062 14.292 8.524 655 2HB ASN 89 1HB ASN 89 12.459 13.893 7.555 656 1HD2 ASN 89 2HD2 ASN 89 10.727 11.316 5.822 657 2HD2 ASN 89 1HD2 ASN 89 12.174 12.177 5.963 658 H GLY 90 H GLY 90 10.669 11.341 10.686 659 1HA GLY 90 2HA GLY 90 9.429 13.331 12.353 660 2HA GLY 90 1HA GLY 90 9.070 11.622 12.324 661 H PHE 91 H PHE 91 11.375 10.431 13.251 662 HA PHE 91 HA PHE 91 11.417 10.430 15.969 663 1HB PHE 91 2HB PHE 91 12.787 9.004 14.381 664 2HB PHE 91 1HB PHE 91 14.021 10.244 14.468 665 HD1 PHE 91 HD2 PHE 91 15.032 10.797 16.786 666 HD2 PHE 91 HD1 PHE 91 12.493 7.404 16.083 667 HE1 PHE 91 HE2 PHE 91 15.833 9.765 18.880 668 HE2 PHE 91 HE1 PHE 91 13.299 6.372 18.179 669 HZ PHE 91 HZ PHE 91 14.973 7.546 19.590 670 H SER 92 H SER 92 13.709 12.421 14.135 671 HA SER 92 HA SER 92 15.022 13.703 16.243 672 1HB SER 92 2HB SER 92 14.524 15.286 13.721 673 2HB SER 92 1HB SER 92 15.955 15.201 14.711 674 HG SER 92 HG SER 92 14.980 13.438 12.732 675 H ASN 93 H ASN 93 12.253 15.213 14.481 676 HA ASN 93 HA ASN 93 12.098 17.284 16.439 677 1HB ASN 93 2HB ASN 93 9.939 17.951 15.439 678 2HB ASN 93 1HB ASN 93 11.182 17.736 14.234 679 1HD2 ASN 93 2HD2 ASN 93 9.199 15.504 12.387 680 2HD2 ASN 93 1HD2 ASN 93 10.556 16.514 12.437 681 H LYS 94 H LYS 94 10.608 14.113 16.294 682 HA LYS 94 HA LYS 94 8.743 14.489 18.421 683 1HB LYS 94 2HB LYS 94 9.541 12.302 16.780 684 2HB LYS 94 1HB LYS 94 9.863 11.801 18.427 685 1HG LYS 94 2HG LYS 94 7.650 11.144 18.223 686 2HG LYS 94 1HG LYS 94 7.458 12.743 18.903 687 1HD LYS 94 2HD LYS 94 5.916 12.751 17.142 688 2HD LYS 94 1HD LYS 94 7.305 13.555 16.437 689 1HE LYS 94 2HE LYS 94 6.697 12.022 14.772 690 2HE LYS 94 1HE LYS 94 7.990 11.181 15.612 691 1HZ LYS 94 1HZ LYS 94 6.289 9.984 16.894 692 2HZ LYS 94 3HZ LYS 94 5.062 10.767 16.037 693 3HZ LYS 94 2HZ LYS 94 6.123 9.710 15.239 694 H CYS 95 H CYS 95 12.185 13.687 18.374 695 HA CYS 95 HA CYS 95 12.530 13.055 21.135 696 1HB CYS 95 2HB CYS 95 14.238 12.587 19.324 697 2HB CYS 95 1HB CYS 95 14.604 14.305 19.298 698 H SER 96 H SER 96 12.920 16.145 19.343 699 HA SER 96 HA SER 96 13.590 17.645 21.686 700 1HB SER 96 2HB SER 96 13.060 19.687 20.274 701 2HB SER 96 1HB SER 96 14.212 18.580 19.560 702 HG SER 96 HG SER 96 12.748 19.037 17.976 703 H SER 97 H SER 97 10.483 16.866 20.211 704 HA SER 97 HA SER 97 9.006 18.482 22.148 705 1HB SER 97 2HB SER 97 7.003 17.843 20.876 706 2HB SER 97 1HB SER 97 8.248 18.516 19.861 707 HG SER 97 HG SER 97 7.589 16.720 18.810 708 H LEU 98 HN LEU 98 10.301 15.420 22.420 709 HA LEU 98 HA LEU 98 8.158 14.027 23.736 710 1HB LEU 98 2HB LEU 98 10.028 12.917 22.536 711 2HB LEU 98 1HB LEU 98 11.136 13.475 23.774 712 HG LEU 98 HG LEU 98 8.724 11.904 24.617 713 1HD1 LEU 98 3HD1 LEU 98 11.112 10.845 23.125 714 2HD1 LEU 98 2HD1 LEU 98 10.307 9.838 24.326 715 3HD1 LEU 98 1HD1 LEU 98 9.410 10.435 22.927 716 1HD2 LEU 98 1HD2 LEU 98 11.557 12.302 25.588 717 2HD2 LEU 98 3HD2 LEU 98 10.049 12.524 26.470 718 3HD2 LEU 98 2HD2 LEU 98 10.633 10.901 26.118 No H/Q in entry = 718 Start of MODEL 18 1 1H THR 1 2H THR 1 6.332 -4.990 2.011 2 2H THR 1 1H THR 1 5.536 -6.349 1.384 3 3H THR 1 3H THR 1 6.402 -5.335 0.352 4 HA THR 1 HA THR 1 4.189 -4.886 -0.001 5 HB THR 1 HB THR 1 3.383 -5.901 2.091 6 HG1 THR 1 HG1 THR 1 1.626 -4.996 1.534 7 1HG2 THR 1 3HG2 THR 1 4.895 -4.601 3.673 8 2HG2 THR 1 2HG2 THR 1 3.793 -3.244 3.464 9 3HG2 THR 1 1HG2 THR 1 3.208 -4.750 4.160 10 H ALA 2 H ALA 2 3.379 -2.877 -0.503 11 HA ALA 2 HA ALA 2 3.305 -0.719 -0.996 12 1HB ALA 2 2HB ALA 2 3.365 -0.299 1.434 13 2HB ALA 2 1HB ALA 2 5.119 -0.133 1.344 14 3HB ALA 2 3HB ALA 2 4.075 1.005 0.490 15 H CYS 3 H CYS 3 6.816 -0.558 0.002 16 HA CYS 3 HA CYS 3 7.652 0.934 -2.188 17 1HB CYS 3 2HB CYS 3 9.423 -1.336 -1.329 18 2HB CYS 3 1HB CYS 3 9.882 0.171 -2.029 19 H THR 4 H THR 4 8.640 0.499 -4.234 20 HA THR 4 HA THR 4 7.531 -1.878 -5.566 21 HB THR 4 HB THR 4 8.134 -0.719 -7.676 22 HG1 THR 4 HG1 THR 4 8.544 1.667 -6.250 23 1HG2 THR 4 2HG2 THR 4 5.894 -0.639 -6.685 24 2HG2 THR 4 1HG2 THR 4 6.318 0.815 -5.787 25 3HG2 THR 4 3HG2 THR 4 6.265 0.847 -7.552 26 H ALA 5 H ALA 5 10.295 -0.833 -7.349 27 HA ALA 5 HA ALA 5 11.759 -3.273 -6.493 28 1HB ALA 5 3HB ALA 5 10.964 -3.138 -8.904 29 2HB ALA 5 2HB ALA 5 12.022 -1.749 -9.115 30 3HB ALA 5 1HB ALA 5 12.710 -3.328 -8.737 31 H THR 6 H THR 6 12.469 -0.069 -7.918 32 HA THR 6 HA THR 6 15.136 0.072 -6.975 33 HB THR 6 HB THR 6 14.169 1.396 -8.886 34 HG1 THR 6 HG1 THR 6 15.552 3.056 -8.521 35 1HG2 THR 6 3HG2 THR 6 12.115 2.254 -7.714 36 2HG2 THR 6 2HG2 THR 6 13.164 3.286 -6.739 37 3HG2 THR 6 1HG2 THR 6 13.064 3.526 -8.481 38 H GLN 7 H GLN 7 12.114 1.228 -5.596 39 HA GLN 7 HA GLN 7 13.070 2.666 -3.325 40 1HB GLN 7 2HB GLN 7 10.541 1.203 -4.033 41 2HB GLN 7 1HB GLN 7 10.745 1.771 -2.390 42 1HG GLN 7 2HG GLN 7 10.786 4.023 -3.019 43 2HG GLN 7 1HG GLN 7 11.284 3.662 -4.659 44 1HE2 GLN 7 2HE2 GLN 7 7.915 4.254 -5.587 45 2HE2 GLN 7 1HE2 GLN 7 9.528 4.734 -5.776 46 H GLN 8 H GLN 8 12.182 -0.721 -3.774 47 HA GLN 8 HA GLN 8 12.717 -1.719 -1.196 48 1HB GLN 8 2HB GLN 8 11.383 -3.109 -2.547 49 2HB GLN 8 1HB GLN 8 12.458 -2.979 -3.922 50 1HG GLN 8 2HG GLN 8 13.885 -4.624 -3.099 51 2HG GLN 8 1HG GLN 8 13.430 -4.347 -1.429 52 1HE2 GLN 8 2HE2 GLN 8 11.144 -7.001 -1.543 53 2HE2 GLN 8 1HE2 GLN 8 12.247 -6.107 -0.620 54 H THR 9 H THR 9 14.910 -1.491 -3.981 55 HA THR 9 HA THR 9 17.076 -2.780 -2.586 56 HB THR 9 HB THR 9 18.429 -1.657 -4.409 57 HG1 THR 9 HG1 THR 9 17.465 -0.468 -5.843 58 1HG2 THR 9 2HG2 THR 9 16.298 -3.677 -5.027 59 2HG2 THR 9 1HG2 THR 9 17.626 -3.316 -6.122 60 3HG2 THR 9 3HG2 THR 9 17.961 -3.973 -4.526 61 H ALA 10 H ALA 10 16.018 0.587 -2.821 62 HA ALA 10 HA ALA 10 18.353 1.759 -1.616 63 1HB ALA 10 3HB ALA 10 16.496 2.982 -2.950 64 2HB ALA 10 2HB ALA 10 15.541 2.916 -1.469 65 3HB ALA 10 1HB ALA 10 17.078 3.784 -1.491 66 H ALA 11 H ALA 11 15.215 0.672 -0.445 67 HA ALA 11 HA ALA 11 15.462 1.294 2.306 68 1HB ALA 11 1HB ALA 11 13.379 0.470 0.885 69 2HB ALA 11 3HB ALA 11 13.946 -1.132 1.355 70 3HB ALA 11 2HB ALA 11 13.485 0.039 2.594 71 H TYR 12 H TYR 12 16.263 -1.571 0.400 72 HA TYR 12 HA TYR 12 17.236 -3.193 2.535 73 1HB TYR 12 2HB TYR 12 17.572 -3.275 -0.452 74 2HB TYR 12 1HB TYR 12 18.772 -4.130 0.498 75 HD1 TYR 12 HD1 TYR 12 17.186 -5.366 2.716 76 HD2 TYR 12 HD2 TYR 12 16.220 -4.696 -1.413 77 HE1 TYR 12 HE1 TYR 12 15.558 -7.233 2.784 78 HE2 TYR 12 HE2 TYR 12 14.590 -6.561 -1.356 79 HH TYR 12 HH TYR 12 13.268 -7.748 1.206 80 H LYS 13 H LYS 13 19.340 -1.687 0.019 81 HA LYS 13 HA LYS 13 21.777 -1.727 1.010 82 1HB LYS 13 2HB LYS 13 21.228 -0.513 -0.997 83 2HB LYS 13 1HB LYS 13 20.428 0.744 -0.069 84 1HG LYS 13 2HG LYS 13 22.737 1.134 1.026 85 2HG LYS 13 1HG LYS 13 23.386 0.155 -0.294 86 1HD LYS 13 2HD LYS 13 22.139 1.677 -1.892 87 2HD LYS 13 1HD LYS 13 21.819 2.735 -0.530 88 1HE LYS 13 2HE LYS 13 24.601 1.925 -1.427 89 2HE LYS 13 1HE LYS 13 23.781 3.371 -1.980 90 1HZ LYS 13 2HZ LYS 13 23.642 4.079 0.387 91 2HZ LYS 13 1HZ LYS 13 24.597 2.733 0.813 92 3HZ LYS 13 3HZ LYS 13 25.224 3.932 -0.199 93 H THR 14 H THR 14 19.697 0.974 2.142 94 HA THR 14 HA THR 14 21.449 1.902 4.154 95 HB THR 14 HB THR 14 18.415 2.131 4.207 96 HG1 THR 14 HG1 THR 14 18.514 3.471 2.599 97 1HG2 THR 14 3HG2 THR 14 20.580 3.963 5.280 98 2HG2 THR 14 2HG2 THR 14 18.846 4.272 5.325 99 3HG2 THR 14 1HG2 THR 14 19.518 2.923 6.229 100 H LEU 15 H LEU 15 18.510 -0.034 4.619 101 HA LEU 15 HA LEU 15 18.793 -0.749 7.353 102 1HB LEU 15 2HB LEU 15 16.731 -0.697 6.021 103 2HB LEU 15 1HB LEU 15 17.294 -2.085 5.129 104 HG LEU 15 HG LEU 15 17.374 -2.761 7.931 105 1HD1 LEU 15 3HD1 LEU 15 15.634 -0.817 7.944 106 2HD1 LEU 15 2HD1 LEU 15 14.611 -1.942 7.054 107 3HD1 LEU 15 1HD1 LEU 15 15.179 -2.361 8.668 108 1HD2 LEU 15 2HD2 LEU 15 16.972 -4.151 5.754 109 2HD2 LEU 15 1HD2 LEU 15 16.080 -4.591 7.211 110 3HD2 LEU 15 3HD2 LEU 15 15.289 -3.658 5.941 111 H VAL 16 H VAL 16 20.390 -2.196 4.606 112 HA VAL 16 HA VAL 16 20.861 -4.785 5.886 113 HB VAL 16 HB VAL 16 21.762 -3.625 3.197 114 1HG1 VAL 16 1HG1 VAL 16 23.230 -5.484 4.141 115 2HG1 VAL 16 3HG1 VAL 16 21.799 -6.522 4.040 116 3HG1 VAL 16 2HG1 VAL 16 22.474 -5.810 2.574 117 1HG2 VAL 16 2HG2 VAL 16 19.240 -4.349 3.716 118 2HG2 VAL 16 1HG2 VAL 16 20.004 -4.686 2.164 119 3HG2 VAL 16 3HG2 VAL 16 19.901 -5.948 3.388 120 H SER 17 H SER 17 22.693 -2.000 4.620 121 HA SER 17 HA SER 17 25.263 -2.548 5.578 122 1HB SER 17 2HB SER 17 24.201 -0.547 4.133 123 2HB SER 17 1HB SER 17 24.220 0.278 5.663 124 HG SER 17 HG SER 17 26.265 0.610 5.268 125 H ILE 18 H ILE 18 22.445 -1.196 7.317 126 HA ILE 18 HA ILE 18 23.913 -0.542 9.690 127 HB ILE 18 HB ILE 18 21.615 0.407 9.118 128 1HG1 ILE 18 2HG1 ILE 18 20.882 0.733 11.340 129 2HG1 ILE 18 1HG1 ILE 18 21.492 -0.809 11.868 130 1HG2 ILE 18 2HG2 ILE 18 20.786 -2.194 8.977 131 2HG2 ILE 18 1HG2 ILE 18 20.183 -1.703 10.553 132 3HG2 ILE 18 3HG2 ILE 18 19.729 -0.794 9.113 133 1HD1 ILE 18 2HD1 ILE 18 23.282 1.493 11.024 134 2HD1 ILE 18 1HD1 ILE 18 22.756 1.202 12.679 135 3HD1 ILE 18 3HD1 ILE 18 23.757 0.011 11.861 136 H LEU 19 H LEU 19 22.451 -3.591 8.633 137 HA LEU 19 HA LEU 19 22.587 -4.931 11.160 138 1HB LEU 19 2HB LEU 19 22.715 -6.174 8.386 139 2HB LEU 19 1HB LEU 19 22.372 -7.029 9.889 140 HG LEU 19 HG LEU 19 20.659 -4.788 8.768 141 1HD1 LEU 19 2HD1 LEU 19 20.821 -7.115 7.505 142 2HD1 LEU 19 1HD1 LEU 19 19.752 -7.631 8.811 143 3HD1 LEU 19 3HD1 LEU 19 19.275 -6.311 7.748 144 1HD2 LEU 19 1HD2 LEU 19 20.202 -6.796 10.998 145 2HD2 LEU 19 3HD2 LEU 19 20.392 -5.051 11.177 146 3HD2 LEU 19 2HD2 LEU 19 18.972 -5.699 10.361 147 H SER 20 H SER 20 24.903 -4.635 8.476 148 HA SER 20 HA SER 20 26.941 -6.321 9.699 149 1HB SER 20 2HB SER 20 26.463 -5.480 7.124 150 2HB SER 20 1HB SER 20 27.748 -4.391 7.596 151 HG SER 20 HG SER 20 28.635 -6.287 6.763 152 H ASP 21 H ASP 21 25.956 -3.052 10.219 153 HA ASP 21 HA ASP 21 28.566 -2.047 11.046 154 1HB ASP 21 2HB ASP 21 26.717 -0.806 9.761 155 2HB ASP 21 1HB ASP 21 25.946 -0.624 11.319 156 H ALA 22 H ALA 22 29.197 -1.674 13.064 157 HA ALA 22 HA ALA 22 28.093 -3.028 15.301 158 1HB ALA 22 3HB ALA 22 30.168 -0.825 15.248 159 2HB ALA 22 2HB ALA 22 29.807 -1.846 16.640 160 3HB ALA 22 1HB ALA 22 30.478 -2.562 15.172 161 H SER 23 H SER 23 27.576 0.274 14.197 162 HA SER 23 HA SER 23 26.680 1.615 16.451 163 1HB SER 23 2HB SER 23 26.802 2.359 13.886 164 2HB SER 23 1HB SER 23 25.098 1.962 13.912 165 HG SER 23 HG SER 23 26.478 4.067 15.027 166 H PHE 24 H PHE 24 24.762 -0.590 14.395 167 HA PHE 24 HA PHE 24 22.333 -0.269 15.828 168 1HB PHE 24 2HB PHE 24 22.781 -1.341 13.516 169 2HB PHE 24 1HB PHE 24 23.114 -2.819 14.365 170 HD1 PHE 24 HD2 PHE 24 20.469 -1.158 16.188 171 HD2 PHE 24 HD1 PHE 24 21.253 -3.332 12.552 172 HE1 PHE 24 HE2 PHE 24 18.082 -1.719 15.995 173 HE2 PHE 24 HE1 PHE 24 18.864 -3.880 12.380 174 HZ PHE 24 HZ PHE 24 17.270 -3.083 14.089 175 H ASN 25 H ASN 25 24.930 -2.692 16.367 176 HA ASN 25 HA ASN 25 23.713 -4.125 18.498 177 1HB ASN 25 2HB ASN 25 26.153 -4.369 17.298 178 2HB ASN 25 1HB ASN 25 26.621 -3.569 18.773 179 1HD2 ASN 25 2HD2 ASN 25 25.148 -6.676 20.530 180 2HD2 ASN 25 1HD2 ASN 25 24.536 -5.098 20.516 181 H GLN 26 H GLN 26 25.794 -1.279 18.521 182 HA GLN 26 HA GLN 26 26.000 -0.872 21.294 183 1HB GLN 26 2HB GLN 26 26.121 1.132 19.033 184 2HB GLN 26 1HB GLN 26 26.546 1.531 20.691 185 1HG GLN 26 2HG GLN 26 27.890 -0.557 18.958 186 2HG GLN 26 1HG GLN 26 28.539 1.037 19.296 187 1HE2 GLN 26 2HE2 GLN 26 29.237 0.070 22.804 188 2HE2 GLN 26 1HE2 GLN 26 28.608 1.417 21.998 189 H CYS 27 H CYS 27 23.726 0.592 18.984 190 HA CYS 27 HA CYS 27 22.195 2.126 20.794 191 1HB CYS 27 2HB CYS 27 21.974 2.073 18.234 192 2HB CYS 27 1HB CYS 27 21.011 0.631 18.437 193 H SER 28 H SER 28 21.494 -1.142 19.611 194 HA SER 28 HA SER 28 19.266 -1.916 21.070 195 1HB SER 28 2HB SER 28 20.307 -3.241 19.283 196 2HB SER 28 1HB SER 28 21.685 -3.550 20.300 197 HG SER 28 HG SER 28 20.576 -5.208 21.017 198 H THR 29 H THR 29 22.629 -2.272 22.125 199 HA THR 29 HA THR 29 22.158 -3.471 24.665 200 HB THR 29 HB THR 29 24.579 -1.980 23.655 201 HG1 THR 29 HG1 THR 29 24.974 -3.717 22.571 202 1HG2 THR 29 2HG2 THR 29 24.178 -3.801 26.027 203 2HG2 THR 29 1HG2 THR 29 25.761 -3.547 25.286 204 3HG2 THR 29 3HG2 THR 29 24.887 -2.184 25.984 205 H ASP 30 H ASP 30 22.987 -0.111 23.924 206 HA ASP 30 HA ASP 30 22.945 0.846 26.614 207 1HB ASP 30 2HB ASP 30 22.932 2.169 23.940 208 2HB ASP 30 1HB ASP 30 22.685 3.133 25.385 209 H SER 31 H SER 31 20.415 0.947 24.148 210 HA SER 31 HA SER 31 18.530 2.181 26.070 211 1HB SER 31 2HB SER 31 18.487 3.194 23.847 212 2HB SER 31 1HB SER 31 18.316 1.626 23.095 213 HG SER 31 HG SER 31 16.241 2.130 23.218 214 H GLY 32 H GLY 32 17.991 -0.402 23.644 215 1HA GLY 32 2HA GLY 32 17.695 -2.731 24.703 216 2HA GLY 32 1HA GLY 32 16.462 -1.941 25.678 217 H TYR 33 H TYR 33 15.762 -0.281 23.084 218 HA TYR 33 HA TYR 33 13.512 -1.656 22.257 219 1HB TYR 33 2HB TYR 33 13.499 0.591 21.654 220 2HB TYR 33 1HB TYR 33 15.141 0.545 21.096 221 HD1 TYR 33 HD2 TYR 33 12.424 -1.792 19.893 222 HD2 TYR 33 HD1 TYR 33 14.826 1.665 19.024 223 HE1 TYR 33 HE2 TYR 33 11.665 -1.850 17.571 224 HE2 TYR 33 HE1 TYR 33 14.054 1.596 16.692 225 HH TYR 33 HH TYR 33 11.533 0.284 15.592 226 H SER 34 H SER 34 16.252 -1.345 20.039 227 HA SER 34 HA SER 34 17.093 -2.614 18.381 228 1HB SER 34 2HB SER 34 16.724 -5.307 19.208 229 2HB SER 34 1HB SER 34 18.155 -4.319 19.273 230 HG SER 34 HG SER 34 17.792 -4.949 21.351 231 H MET 35 H MET 35 15.815 -2.217 16.669 232 HA MET 35 HA MET 35 13.231 -3.129 16.075 233 1HB MET 35 2HB MET 35 14.270 -1.371 14.769 234 2HB MET 35 1HB MET 35 15.550 -2.444 14.249 235 1HG MET 35 2HG MET 35 14.150 -3.558 12.728 236 2HG MET 35 1HG MET 35 12.690 -3.075 13.577 237 1HE MET 35 1HE MET 35 15.885 -1.184 12.471 238 2HE MET 35 3HE MET 35 15.475 -1.723 10.829 239 3HE MET 35 2HE MET 35 15.325 -0.034 11.275 240 H LEU 36 H LEU 36 16.277 -4.846 15.755 241 HA LEU 36 HA LEU 36 15.522 -6.985 14.063 242 1HB LEU 36 2HB LEU 36 17.450 -7.180 16.386 243 2HB LEU 36 1HB LEU 36 17.417 -8.196 14.958 244 HG LEU 36 HG LEU 36 17.732 -5.438 14.172 245 1HD1 LEU 36 2HD1 LEU 36 19.466 -6.446 16.429 246 2HD1 LEU 36 1HD1 LEU 36 20.055 -5.242 15.288 247 3HD1 LEU 36 3HD1 LEU 36 18.645 -4.893 16.285 248 1HD2 LEU 36 3HD2 LEU 36 19.493 -7.919 14.086 249 2HD2 LEU 36 2HD2 LEU 36 18.523 -7.246 12.779 250 3HD2 LEU 36 1HD2 LEU 36 19.952 -6.386 13.344 251 H THR 37 H THR 37 15.139 -6.596 17.635 252 HA THR 37 HA THR 37 13.562 -9.093 17.726 253 HB THR 37 HB THR 37 14.191 -8.802 20.257 254 HG1 THR 37 HG1 THR 37 15.995 -7.750 20.706 255 1HG2 THR 37 3HG2 THR 37 14.768 -10.715 18.869 256 2HG2 THR 37 2HG2 THR 37 16.144 -9.827 18.218 257 3HG2 THR 37 1HG2 THR 37 16.108 -10.263 19.924 258 H ALA 38 H ALA 38 12.857 -5.987 17.340 259 HA ALA 38 HA ALA 38 10.531 -6.009 19.178 260 1HB ALA 38 3HB ALA 38 12.287 -4.545 19.977 261 2HB ALA 38 2HB ALA 38 12.318 -3.703 18.432 262 3HB ALA 38 1HB ALA 38 10.883 -3.599 19.470 263 H LYS 39 H LYS 39 8.650 -5.356 18.341 264 HA LYS 39 HA LYS 39 7.979 -5.613 15.698 265 1HB LYS 39 2HB LYS 39 5.899 -5.442 16.448 266 2HB LYS 39 1HB LYS 39 6.618 -5.328 18.020 267 1HG LYS 39 2HG LYS 39 6.097 -2.776 16.511 268 2HG LYS 39 1HG LYS 39 4.732 -3.683 17.123 269 1HD LYS 39 2HD LYS 39 5.751 -3.648 19.399 270 2HD LYS 39 1HD LYS 39 7.046 -2.630 18.776 271 1HE LYS 39 2HE LYS 39 5.694 -0.792 18.521 272 2HE LYS 39 1HE LYS 39 4.262 -1.749 18.190 273 1HZ LYS 39 1HZ LYS 39 4.265 -2.345 20.613 274 2HZ LYS 39 3HZ LYS 39 5.511 -1.214 20.838 275 3HZ LYS 39 2HZ LYS 39 3.996 -0.710 20.274 276 H ALA 40 H ALA 40 8.349 -2.399 17.216 277 HA ALA 40 HA ALA 40 9.722 -1.177 15.118 278 1HB ALA 40 3HB ALA 40 6.729 -0.829 14.996 279 2HB ALA 40 2HB ALA 40 7.863 0.282 14.210 280 3HB ALA 40 1HB ALA 40 7.807 -1.412 13.723 281 H LEU 41 H LEU 41 7.440 1.219 16.008 282 HA LEU 41 HA LEU 41 9.179 2.744 17.471 283 1HB LEU 41 2HB LEU 41 6.166 2.729 17.573 284 2HB LEU 41 1HB LEU 41 7.144 3.935 18.394 285 HG LEU 41 HG LEU 41 7.545 3.407 15.450 286 1HD1 LEU 41 2HD1 LEU 41 5.104 3.850 15.837 287 2HD1 LEU 41 1HD1 LEU 41 5.551 5.371 16.612 288 3HD1 LEU 41 3HD1 LEU 41 5.912 5.110 14.909 289 1HD2 LEU 41 1HD2 LEU 41 8.943 4.985 17.149 290 2HD2 LEU 41 3HD2 LEU 41 8.678 5.406 15.460 291 3HD2 LEU 41 2HD2 LEU 41 7.658 6.108 16.712 292 HA PRO 42 HA PRO 42 9.449 0.631 21.414 293 1HB PRO 42 2HB PRO 42 11.259 2.291 22.543 294 2HB PRO 42 1HB PRO 42 11.665 1.054 21.337 295 1HG PRO 42 2HG PRO 42 11.501 4.000 21.012 296 2HG PRO 42 1HG PRO 42 12.501 2.819 20.147 297 1HD PRO 42 2HD PRO 42 10.153 3.959 19.144 298 2HD PRO 42 1HD PRO 42 10.961 2.506 18.519 299 H THR 43 H THR 43 9.431 1.368 23.828 300 HA THR 43 HA THR 43 7.186 3.141 24.317 301 HB THR 43 HB THR 43 7.633 2.306 26.732 302 HG1 THR 43 HG1 THR 43 8.804 0.299 26.758 303 1HG2 THR 43 1HG2 THR 43 6.828 0.479 24.475 304 2HG2 THR 43 3HG2 THR 43 6.531 0.131 26.179 305 3HG2 THR 43 2HG2 THR 43 5.785 1.535 25.425 306 H THR 44 H THR 44 7.216 4.907 25.740 307 HA THR 44 HA THR 44 9.021 6.905 25.370 308 HB THR 44 HB THR 44 6.886 7.303 26.166 309 HG1 THR 44 HG1 THR 44 8.790 8.282 28.011 310 1HG2 THR 44 1HG2 THR 44 7.559 5.978 28.798 311 2HG2 THR 44 3HG2 THR 44 6.093 6.892 28.469 312 3HG2 THR 44 2HG2 THR 44 6.412 5.408 27.589 313 H ALA 45 H ALA 45 9.363 4.512 27.920 314 HA ALA 45 HA ALA 45 11.499 5.705 29.394 315 1HB ALA 45 2HB ALA 45 10.849 2.753 28.957 316 2HB ALA 45 1HB ALA 45 11.953 3.368 30.181 317 3HB ALA 45 3HB ALA 45 10.236 3.749 30.273 318 H GLN 46 H GLN 46 11.486 3.291 26.774 319 HA GLN 46 HA GLN 46 14.300 3.110 26.341 320 1HB GLN 46 2HB GLN 46 12.124 2.635 24.253 321 2HB GLN 46 1HB GLN 46 13.763 2.005 24.226 322 1HG GLN 46 2HG GLN 46 12.092 1.316 26.600 323 2HG GLN 46 1HG GLN 46 11.655 0.575 25.073 324 1HE2 GLN 46 2HE2 GLN 46 14.081 -1.904 25.593 325 2HE2 GLN 46 1HE2 GLN 46 12.503 -1.516 25.107 326 H TYR 47 H TYR 47 11.769 5.166 25.008 327 HA TYR 47 HA TYR 47 13.102 6.527 22.942 328 1HB TYR 47 2HB TYR 47 10.634 6.835 24.413 329 2HB TYR 47 1HB TYR 47 11.406 8.403 24.243 330 HD1 TYR 47 HD2 TYR 47 12.025 9.252 21.982 331 HD2 TYR 47 HD1 TYR 47 9.666 5.696 22.526 332 HE1 TYR 47 HE2 TYR 47 11.289 9.377 19.630 333 HE2 TYR 47 HE1 TYR 47 8.929 5.815 20.182 334 HH TYR 47 HH TYR 47 10.398 7.360 17.892 335 H LYS 48 H LYS 48 12.855 7.340 26.413 336 HA LYS 48 HA LYS 48 14.369 9.756 26.276 337 1HB LYS 48 2HB LYS 48 13.757 7.888 28.599 338 2HB LYS 48 1HB LYS 48 14.691 9.371 28.809 339 1HG LYS 48 2HG LYS 48 12.888 10.750 28.150 340 2HG LYS 48 1HG LYS 48 12.004 9.414 27.441 341 1HD LYS 48 2HD LYS 48 10.873 9.242 29.368 342 2HD LYS 48 1HD LYS 48 12.355 8.646 30.110 343 1HE LYS 48 2HE LYS 48 12.908 11.232 30.312 344 2HE LYS 48 1HE LYS 48 11.160 11.401 30.194 345 1HZ LYS 48 2HZ LYS 48 10.952 9.815 32.057 346 2HZ LYS 48 1HZ LYS 48 12.650 9.771 32.184 347 3HZ LYS 48 3HZ LYS 48 11.818 11.210 32.487 348 H LEU 49 H LEU 49 15.314 6.433 27.019 349 HA LEU 49 HA LEU 49 18.084 6.893 27.490 350 1HB LEU 49 2HB LEU 49 16.656 4.470 26.362 351 2HB LEU 49 1HB LEU 49 18.360 4.458 26.810 352 HG LEU 49 HG LEU 49 16.136 5.184 28.725 353 1HD1 LEU 49 3HD1 LEU 49 17.418 2.469 28.299 354 2HD1 LEU 49 2HD1 LEU 49 16.360 2.903 29.642 355 3HD1 LEU 49 1HD1 LEU 49 15.729 2.894 28.000 356 1HD2 LEU 49 3HD2 LEU 49 19.021 4.323 29.124 357 2HD2 LEU 49 2HD2 LEU 49 18.353 5.926 29.442 358 3HD2 LEU 49 1HD2 LEU 49 17.856 4.554 30.427 359 H MET 50 H MET 50 16.323 6.191 24.490 360 HA MET 50 HA MET 50 18.474 6.050 22.667 361 1HB MET 50 2HB MET 50 15.549 6.648 22.347 362 2HB MET 50 1HB MET 50 16.654 6.729 20.982 363 1HG MET 50 2HG MET 50 17.422 4.399 21.533 364 2HG MET 50 1HG MET 50 16.168 4.329 22.763 365 1HE MET 50 2HE MET 50 17.218 4.837 19.303 366 2HE MET 50 1HE MET 50 16.598 3.255 18.855 367 3HE MET 50 3HE MET 50 15.800 4.726 18.269 368 H CYS 51 H CYS 51 16.676 8.894 23.761 369 HA CYS 51 HA CYS 51 17.639 10.758 21.861 370 1HB CYS 51 2HB CYS 51 16.879 11.346 24.736 371 2HB CYS 51 1HB CYS 51 17.065 12.530 23.450 372 H ALA 52 H ALA 52 19.116 9.648 24.862 373 HA ALA 52 HA ALA 52 21.358 11.535 24.722 374 1HB ALA 52 3HB ALA 52 20.748 9.319 26.685 375 2HB ALA 52 2HB ALA 52 22.087 10.453 26.817 376 3HB ALA 52 1HB ALA 52 20.429 11.039 26.914 377 H SER 53 H SER 53 20.852 8.125 24.036 378 HA SER 53 HA SER 53 23.449 7.080 24.001 379 1HB SER 53 2HB SER 53 21.004 6.086 23.556 380 2HB SER 53 1HB SER 53 21.584 6.125 21.911 381 HG SER 53 HG SER 53 23.234 4.719 22.516 382 H THR 54 H THR 54 25.197 7.202 22.721 383 HA THR 54 HA THR 54 25.309 9.038 20.527 384 HB THR 54 HB THR 54 27.170 8.735 22.069 385 HG1 THR 54 HG1 THR 54 27.805 8.247 19.361 386 1HG2 THR 54 2HG2 THR 54 27.110 6.229 22.321 387 2HG2 THR 54 1HG2 THR 54 27.863 6.110 20.730 388 3HG2 THR 54 3HG2 THR 54 28.706 6.914 22.052 389 H ALA 55 H ALA 55 25.652 5.453 20.502 390 HA ALA 55 HA ALA 55 25.922 5.044 17.732 391 1HB ALA 55 2HB ALA 55 24.544 3.316 19.790 392 2HB ALA 55 1HB ALA 55 24.782 2.835 18.119 393 3HB ALA 55 3HB ALA 55 26.184 3.139 19.145 394 H CYS 56 H CYS 56 22.946 5.019 19.628 395 HA CYS 56 HA CYS 56 21.063 4.486 17.685 396 1HB CYS 56 2HB CYS 56 20.778 6.364 20.062 397 2HB CYS 56 1HB CYS 56 19.419 5.693 19.165 398 H ASN 57 H ASN 57 22.303 7.658 18.601 399 HA ASN 57 HA ASN 57 20.903 9.191 16.635 400 1HB ASN 57 2HB ASN 57 23.430 9.854 18.193 401 2HB ASN 57 1HB ASN 57 22.600 10.981 17.153 402 1HD2 ASN 57 2HD2 ASN 57 19.993 10.248 20.165 403 2HD2 ASN 57 1HD2 ASN 57 20.207 9.111 18.934 404 H THR 58 H THR 58 24.078 7.614 16.538 405 HA THR 58 HA THR 58 25.062 8.705 14.134 406 HB THR 58 HB THR 58 25.438 5.905 15.202 407 HG1 THR 58 HG1 THR 58 27.220 6.691 16.322 408 1HG2 THR 58 2HG2 THR 58 27.067 7.541 13.265 409 2HG2 THR 58 1HG2 THR 58 27.716 6.126 14.081 410 3HG2 THR 58 3HG2 THR 58 26.327 5.961 13.010 411 H MET 59 H MET 59 23.081 5.818 14.639 412 HA MET 59 HA MET 59 22.807 5.027 11.911 413 1HB MET 59 2HB MET 59 20.493 4.511 13.733 414 2HB MET 59 1HB MET 59 21.151 3.521 12.463 415 1HG MET 59 2HG MET 59 22.974 2.811 13.937 416 2HG MET 59 1HG MET 59 22.453 3.941 15.182 417 1HE MET 59 2HE MET 59 19.972 4.010 16.018 418 2HE MET 59 1HE MET 59 18.969 3.337 14.740 419 3HE MET 59 3HE MET 59 19.033 2.556 16.330 420 H ILE 60 H ILE 60 20.527 6.792 13.937 421 HA ILE 60 HA ILE 60 18.608 7.322 11.935 422 HB ILE 60 HB ILE 60 19.161 8.799 14.531 423 1HG1 ILE 60 2HG1 ILE 60 17.198 6.607 13.785 424 2HG1 ILE 60 1HG1 ILE 60 18.671 6.372 14.704 425 1HG2 ILE 60 2HG2 ILE 60 16.764 8.856 12.661 426 2HG2 ILE 60 1HG2 ILE 60 16.727 9.451 14.317 427 3HG2 ILE 60 3HG2 ILE 60 17.764 10.232 13.124 428 1HD1 ILE 60 1HD1 ILE 60 17.522 8.265 16.216 429 2HD1 ILE 60 3HD1 ILE 60 16.080 7.551 15.500 430 3HD1 ILE 60 2HD1 ILE 60 17.177 6.538 16.433 431 H LYS 61 H LYS 61 21.116 9.524 13.130 432 HA LYS 61 HA LYS 61 20.761 11.691 11.427 433 1HB LYS 61 2HB LYS 61 22.399 11.686 13.316 434 2HB LYS 61 1HB LYS 61 23.370 10.525 12.443 435 1HG LYS 61 2HG LYS 61 24.498 12.490 11.991 436 2HG LYS 61 1HG LYS 61 23.465 12.389 10.582 437 1HD LYS 61 2HD LYS 61 22.747 13.970 13.066 438 2HD LYS 61 1HD LYS 61 23.604 14.658 11.692 439 1HE LYS 61 2HE LYS 61 21.420 13.333 10.549 440 2HE LYS 61 1HE LYS 61 20.774 14.068 12.006 441 1HZ LYS 61 1HZ LYS 61 21.979 16.181 11.183 442 2HZ LYS 61 3HZ LYS 61 22.062 15.405 9.684 443 3HZ LYS 61 2HZ LYS 61 20.554 15.735 10.396 444 H LYS 62 H LYS 62 22.497 8.673 10.795 445 HA LYS 62 HA LYS 62 23.586 9.384 8.254 446 1HB LYS 62 2HB LYS 62 24.314 7.387 9.557 447 2HB LYS 62 1HB LYS 62 22.755 6.643 9.275 448 1HG LYS 62 2HG LYS 62 23.480 7.112 6.709 449 2HG LYS 62 1HG LYS 62 25.081 6.946 7.434 450 1HD LYS 62 2HD LYS 62 24.286 4.824 8.532 451 2HD LYS 62 1HD LYS 62 22.813 4.948 7.592 452 1HE LYS 62 2HE LYS 62 25.592 4.761 6.384 453 2HE LYS 62 1HE LYS 62 24.557 3.385 6.680 454 1HZ LYS 62 1HZ LYS 62 23.754 5.680 4.949 455 2HZ LYS 62 3HZ LYS 62 24.499 4.271 4.381 456 3HZ LYS 62 2HZ LYS 62 22.975 4.176 5.116 457 H ILE 63 H ILE 63 20.622 7.653 9.109 458 HA ILE 63 HA ILE 63 19.555 7.356 6.515 459 HB ILE 63 HB ILE 63 18.032 7.537 9.151 460 1HG1 ILE 63 2HG1 ILE 63 18.568 5.015 7.629 461 2HG1 ILE 63 1HG1 ILE 63 19.876 5.681 8.587 462 1HG2 ILE 63 3HG2 ILE 63 17.183 6.394 6.460 463 2HG2 ILE 63 2HG2 ILE 63 16.281 6.263 7.970 464 3HG2 ILE 63 1HG2 ILE 63 16.495 7.838 7.216 465 1HD1 ILE 63 2HD1 ILE 63 17.879 5.811 10.406 466 2HD1 ILE 63 1HD1 ILE 63 17.333 4.431 9.440 467 3HD1 ILE 63 3HD1 ILE 63 18.924 4.404 10.195 468 H VAL 64 H VAL 64 18.996 9.971 8.881 469 HA VAL 64 HA VAL 64 17.203 11.561 7.376 470 HB VAL 64 HB VAL 64 19.256 12.266 9.503 471 1HG1 VAL 64 2HG1 VAL 64 17.929 14.118 7.792 472 2HG1 VAL 64 1HG1 VAL 64 17.178 14.225 9.376 473 3HG1 VAL 64 3HG1 VAL 64 18.916 14.459 9.215 474 1HG2 VAL 64 1HG2 VAL 64 16.334 11.581 9.486 475 2HG2 VAL 64 3HG2 VAL 64 17.620 11.009 10.549 476 3HG2 VAL 64 2HG2 VAL 64 16.982 12.636 10.741 477 H THR 65 H THR 65 20.694 11.889 7.689 478 HA THR 65 HA THR 65 21.127 13.916 5.772 479 HB THR 65 HB THR 65 23.098 11.710 6.425 480 HG1 THR 65 HG1 THR 65 22.587 12.610 8.346 481 1HG2 THR 65 1HG2 THR 65 23.475 14.549 5.409 482 2HG2 THR 65 3HG2 THR 65 24.784 13.497 5.953 483 3HG2 THR 65 2HG2 THR 65 23.827 13.057 4.545 484 H LEU 66 H LEU 66 20.770 10.451 5.246 485 HA LEU 66 HA LEU 66 21.470 10.765 2.446 486 1HB LEU 66 2HB LEU 66 21.990 8.608 2.471 487 2HB LEU 66 1HB LEU 66 21.750 8.681 4.185 488 HG LEU 66 HG LEU 66 19.446 7.732 3.843 489 1HD1 LEU 66 3HD1 LEU 66 20.134 8.218 1.006 490 2HD1 LEU 66 2HD1 LEU 66 19.510 6.599 1.313 491 3HD1 LEU 66 1HD1 LEU 66 18.562 8.012 1.755 492 1HD2 LEU 66 2HD2 LEU 66 21.404 6.307 4.263 493 2HD2 LEU 66 1HD2 LEU 66 20.255 5.506 3.193 494 3HD2 LEU 66 3HD2 LEU 66 21.711 6.236 2.525 495 H ASN 67 H ASN 67 18.414 10.697 4.179 496 HA ASN 67 HA ASN 67 16.281 11.177 3.436 497 1HB ASN 67 2HB ASN 67 17.692 12.082 0.916 498 2HB ASN 67 1HB ASN 67 16.020 12.431 1.323 499 1HD2 ASN 67 2HD2 ASN 67 19.014 14.576 3.104 500 2HD2 ASN 67 1HD2 ASN 67 19.419 13.219 2.170 501 HA PRO 68 HA PRO 68 15.664 7.236 1.180 502 1HB PRO 68 2HB PRO 68 13.800 6.252 2.887 503 2HB PRO 68 1HB PRO 68 15.550 6.145 3.157 504 1HG PRO 68 2HG PRO 68 13.559 7.835 4.522 505 2HG PRO 68 1HG PRO 68 15.147 7.271 5.089 506 1HD PRO 68 2HD PRO 68 14.497 9.848 4.060 507 2HD PRO 68 1HD PRO 68 16.108 9.232 4.498 508 HA PRO 69 HA PRO 69 11.798 8.418 -0.882 509 1HB PRO 69 2HB PRO 69 11.266 6.136 -2.269 510 2HB PRO 69 1HB PRO 69 12.578 7.245 -2.704 511 1HG PRO 69 2HG PRO 69 12.765 4.567 -1.502 512 2HG PRO 69 1HG PRO 69 13.987 5.502 -2.374 513 1HD PRO 69 2HD PRO 69 13.779 5.175 0.463 514 2HD PRO 69 1HD PRO 69 14.950 6.160 -0.437 515 H ASN 70 H ASN 70 9.796 8.567 0.014 516 HA ASN 70 HA ASN 70 8.798 7.098 2.124 517 1HB ASN 70 2HB ASN 70 6.589 8.112 1.696 518 2HB ASN 70 1HB ASN 70 7.913 9.258 1.726 519 1HD2 ASN 70 2HD2 ASN 70 5.581 9.048 -1.560 520 2HD2 ASN 70 1HD2 ASN 70 5.198 8.189 -0.149 521 H CYS 71 H CYS 71 8.470 5.064 2.267 522 HA CYS 71 HA CYS 71 6.290 3.775 1.073 523 1HB CYS 71 2HB CYS 71 7.278 2.063 -0.294 524 2HB CYS 71 1HB CYS 71 7.784 3.630 -0.908 525 H ASP 72 H ASP 72 5.734 1.838 1.959 526 HA ASP 72 HA ASP 72 6.706 1.438 4.625 527 1HB ASP 72 2HB ASP 72 4.686 -0.264 3.180 528 2HB ASP 72 1HB ASP 72 4.964 -0.198 4.897 529 H LEU 73 H LEU 73 7.695 -0.226 5.633 530 HA LEU 73 HA LEU 73 9.106 -2.237 3.955 531 1HB LEU 73 2HB LEU 73 10.273 -0.115 5.097 532 2HB LEU 73 1HB LEU 73 10.328 -1.205 6.467 533 HG LEU 73 HG LEU 73 11.501 -2.884 5.008 534 1HD1 LEU 73 3HD1 LEU 73 11.326 -0.597 3.031 535 2HD1 LEU 73 2HD1 LEU 73 12.520 -1.889 2.888 536 3HD1 LEU 73 1HD1 LEU 73 10.799 -2.267 2.808 537 1HD2 LEU 73 3HD2 LEU 73 12.707 -1.265 6.480 538 2HD2 LEU 73 2HD2 LEU 73 13.649 -1.694 5.056 539 3HD2 LEU 73 1HD2 LEU 73 12.809 -0.146 5.125 540 H THR 74 H THR 74 9.594 -4.300 4.993 541 HA THR 74 HA THR 74 7.846 -5.017 7.272 542 HB THR 74 HB THR 74 8.018 -7.288 6.164 543 HG1 THR 74 HG1 THR 74 9.639 -6.900 4.670 544 1HG2 THR 74 3HG2 THR 74 6.239 -5.132 5.742 545 2HG2 THR 74 2HG2 THR 74 6.465 -5.925 4.188 546 3HG2 THR 74 1HG2 THR 74 5.914 -6.856 5.577 547 H VAL 75 H VAL 75 8.752 -6.091 8.993 548 HA VAL 75 HA VAL 75 11.592 -6.933 8.789 549 HB VAL 75 HB VAL 75 10.247 -6.049 11.380 550 1HG1 VAL 75 2HG1 VAL 75 13.161 -6.488 10.634 551 2HG1 VAL 75 1HG1 VAL 75 12.612 -5.827 12.166 552 3HG1 VAL 75 3HG1 VAL 75 12.194 -7.475 11.725 553 1HG2 VAL 75 2HG2 VAL 75 10.632 -4.199 9.515 554 2HG2 VAL 75 1HG2 VAL 75 11.099 -3.875 11.182 555 3HG2 VAL 75 3HG2 VAL 75 12.315 -4.351 10.001 556 HA PRO 76 HA PRO 76 9.247 -10.754 9.291 557 1HB PRO 76 2HB PRO 76 11.169 -12.395 8.272 558 2HB PRO 76 1HB PRO 76 10.014 -11.492 7.278 559 1HG PRO 76 2HG PRO 76 12.887 -10.901 7.807 560 2HG PRO 76 1HG PRO 76 11.921 -10.597 6.351 561 1HD PRO 76 2HD PRO 76 12.554 -8.630 8.168 562 2HD PRO 76 1HD PRO 76 11.150 -8.576 7.082 563 H THR 77 H THR 77 12.293 -9.894 10.734 564 HA THR 77 HA THR 77 12.496 -12.254 12.414 565 HB THR 77 HB THR 77 14.451 -11.078 11.462 566 HG1 THR 77 HG1 THR 77 14.536 -11.059 14.291 567 1HG2 THR 77 2HG2 THR 77 13.525 -8.808 13.188 568 2HG2 THR 77 1HG2 THR 77 15.231 -8.994 12.785 569 3HG2 THR 77 3HG2 THR 77 14.038 -8.799 11.502 570 H SER 78 H SER 78 11.191 -8.980 12.767 571 HA SER 78 HA SER 78 10.725 -9.348 15.646 572 1HB SER 78 2HB SER 78 9.778 -7.064 15.599 573 2HB SER 78 1HB SER 78 11.401 -7.091 14.960 574 HG SER 78 HG SER 78 9.470 -5.969 13.810 575 H GLY 79 H GLY 79 8.837 -9.028 12.683 576 1HA GLY 79 2HA GLY 79 6.842 -10.318 12.250 577 2HA GLY 79 1HA GLY 79 6.535 -10.381 13.981 578 H LEU 80 H LEU 80 7.270 -7.581 11.850 579 HA LEU 80 HA LEU 80 4.610 -6.522 11.934 580 1HB LEU 80 2HB LEU 80 5.868 -6.087 14.260 581 2HB LEU 80 1HB LEU 80 6.421 -4.666 13.381 582 HG LEU 80 HG LEU 80 3.644 -4.966 12.824 583 1HD1 LEU 80 3HD1 LEU 80 3.444 -6.344 14.827 584 2HD1 LEU 80 2HD1 LEU 80 4.204 -5.083 15.793 585 3HD1 LEU 80 1HD1 LEU 80 2.640 -4.792 15.035 586 1HD2 LEU 80 3HD2 LEU 80 5.174 -2.899 13.025 587 2HD2 LEU 80 2HD2 LEU 80 3.517 -2.748 13.608 588 3HD2 LEU 80 1HD2 LEU 80 4.838 -2.980 14.754 589 H VAL 81 H VAL 81 4.463 -4.288 11.054 590 HA VAL 81 HA VAL 81 6.379 -3.836 8.836 591 HB VAL 81 HB VAL 81 3.465 -2.998 9.153 592 1HG1 VAL 81 1HG1 VAL 81 4.878 -1.441 7.737 593 2HG1 VAL 81 3HG1 VAL 81 5.170 -2.805 6.659 594 3HG1 VAL 81 2HG1 VAL 81 3.534 -2.198 6.897 595 1HG2 VAL 81 2HG2 VAL 81 4.752 -5.107 7.392 596 2HG2 VAL 81 1HG2 VAL 81 3.617 -5.395 8.711 597 3HG2 VAL 81 3HG2 VAL 81 3.079 -4.565 7.248 598 H LEU 82 H LEU 82 7.259 -1.811 8.532 599 HA LEU 82 HA LEU 82 6.645 0.403 10.377 600 1HB LEU 82 2HB LEU 82 8.417 -0.880 11.454 601 2HB LEU 82 1HB LEU 82 9.386 -0.799 10.001 602 HG LEU 82 HG LEU 82 9.471 1.701 10.275 603 1HD1 LEU 82 1HD1 LEU 82 7.660 1.088 12.514 604 2HD1 LEU 82 3HD1 LEU 82 9.005 2.148 12.939 605 3HD1 LEU 82 2HD1 LEU 82 7.905 2.598 11.640 606 1HD2 LEU 82 2HD2 LEU 82 10.485 0.028 12.585 607 2HD2 LEU 82 1HD2 LEU 82 11.292 0.257 11.036 608 3HD2 LEU 82 3HD2 LEU 82 11.094 1.617 12.139 609 H ASN 83 H ASN 83 6.914 2.382 9.517 610 HA ASN 83 HA ASN 83 7.676 2.639 6.667 611 1HB ASN 83 2HB ASN 83 5.460 3.573 7.624 612 2HB ASN 83 1HB ASN 83 6.435 4.749 8.492 613 1HD2 ASN 83 2HD2 ASN 83 5.256 5.614 4.822 614 2HD2 ASN 83 1HD2 ASN 83 4.510 4.489 5.840 615 H VAL 84 H VAL 84 9.831 2.878 6.556 616 HA VAL 84 HA VAL 84 11.461 3.988 8.633 617 HB VAL 84 HB VAL 84 12.278 3.348 5.775 618 1HG1 VAL 84 1HG1 VAL 84 13.851 3.675 8.347 619 2HG1 VAL 84 3HG1 VAL 84 14.511 2.935 6.891 620 3HG1 VAL 84 2HG1 VAL 84 14.009 4.621 6.867 621 1HG2 VAL 84 1HG2 VAL 84 12.113 1.638 8.266 622 2HG2 VAL 84 3HG2 VAL 84 11.355 1.334 6.706 623 3HG2 VAL 84 2HG2 VAL 84 13.100 1.186 6.881 624 H TYR 85 H TYR 85 10.201 5.335 5.648 625 HA TYR 85 HA TYR 85 11.628 7.705 5.314 626 1HB TYR 85 2HB TYR 85 9.830 6.838 3.812 627 2HB TYR 85 1HB TYR 85 8.634 7.335 4.952 628 HD1 TYR 85 HD2 TYR 85 11.195 8.525 2.555 629 HD2 TYR 85 HD1 TYR 85 7.952 9.707 5.111 630 HE1 TYR 85 HE2 TYR 85 11.146 10.743 1.474 631 HE2 TYR 85 HE1 TYR 85 7.911 11.928 4.022 632 HH TYR 85 HH TYR 85 9.904 13.356 2.682 633 H SER 86 H SER 86 8.533 7.494 7.058 634 HA SER 86 HA SER 86 8.808 10.095 8.269 635 1HB SER 86 2HB SER 86 6.862 7.956 9.129 636 2HB SER 86 1HB SER 86 6.761 9.671 9.436 637 HG SER 86 HG SER 86 5.498 9.259 7.637 638 H TYR 87 H TYR 87 9.902 7.017 9.404 639 HA TYR 87 HA TYR 87 9.973 7.393 12.182 640 1HB TYR 87 2HB TYR 87 10.345 5.260 11.499 641 2HB TYR 87 1HB TYR 87 11.408 5.709 10.202 642 HD1 TYR 87 HD2 TYR 87 11.405 5.949 13.993 643 HD2 TYR 87 HD1 TYR 87 13.528 5.056 10.374 644 HE1 TYR 87 HE2 TYR 87 13.417 5.322 15.334 645 HE2 TYR 87 HE1 TYR 87 15.534 4.431 11.700 646 HH TYR 87 HH TYR 87 15.810 3.548 14.287 647 H ALA 88 H ALA 88 12.821 7.603 10.121 648 HA ALA 88 HA ALA 88 14.594 8.780 11.942 649 1HB ALA 88 3HB ALA 88 14.500 8.650 8.935 650 2HB ALA 88 2HB ALA 88 15.941 9.168 9.854 651 3HB ALA 88 1HB ALA 88 15.277 7.547 10.066 652 H ASN 89 H ASN 89 12.587 10.381 9.531 653 HA ASN 89 HA ASN 89 13.442 13.056 9.891 654 1HB ASN 89 2HB ASN 89 10.703 12.035 8.971 655 2HB ASN 89 1HB ASN 89 11.265 13.688 8.819 656 1HD2 ASN 89 2HD2 ASN 89 12.406 12.767 5.585 657 2HD2 ASN 89 1HD2 ASN 89 11.439 13.836 6.476 658 H GLY 90 H GLY 90 10.476 11.601 11.378 659 1HA GLY 90 2HA GLY 90 10.140 13.871 13.153 660 2HA GLY 90 1HA GLY 90 9.159 12.413 13.143 661 H PHE 91 H PHE 91 11.928 10.867 13.597 662 HA PHE 91 HA PHE 91 11.819 10.143 16.175 663 1HB PHE 91 2HB PHE 91 13.431 9.341 14.417 664 2HB PHE 91 1HB PHE 91 14.465 10.691 14.778 665 HD1 PHE 91 HD1 PHE 91 13.057 7.530 16.111 666 HD2 PHE 91 HD2 PHE 91 15.692 10.837 16.865 667 HE1 PHE 91 HE1 PHE 91 14.034 6.318 18.034 668 HE2 PHE 91 HE2 PHE 91 16.668 9.617 18.794 669 HZ PHE 91 HZ PHE 91 15.844 7.363 19.380 670 H SER 92 H SER 92 13.984 12.748 15.133 671 HA SER 92 HA SER 92 14.931 13.693 17.606 672 1HB SER 92 2HB SER 92 15.847 14.234 15.340 673 2HB SER 92 1HB SER 92 14.509 15.341 15.096 674 HG SER 92 HG SER 92 16.723 15.477 16.859 675 H ASN 93 H ASN 93 12.133 14.936 15.740 676 HA ASN 93 HA ASN 93 11.335 16.972 17.518 677 1HB ASN 93 2HB ASN 93 10.359 16.532 15.170 678 2HB ASN 93 1HB ASN 93 9.356 15.291 15.914 679 1HD2 ASN 93 2HD2 ASN 93 8.429 19.223 16.574 680 2HD2 ASN 93 1HD2 ASN 93 9.866 18.837 15.765 681 H LYS 94 H LYS 94 10.366 13.518 17.404 682 HA LYS 94 HA LYS 94 8.698 13.663 19.728 683 1HB LYS 94 2HB LYS 94 9.500 11.555 17.901 684 2HB LYS 94 1HB LYS 94 9.736 11.002 19.551 685 1HG LYS 94 2HG LYS 94 7.513 10.400 18.940 686 2HG LYS 94 1HG LYS 94 7.392 11.744 20.063 687 1HD LYS 94 2HD LYS 94 6.857 13.281 18.300 688 2HD LYS 94 1HD LYS 94 7.318 12.121 17.057 689 1HE LYS 94 2HE LYS 94 5.241 11.058 18.821 690 2HE LYS 94 1HE LYS 94 4.745 12.551 18.044 691 1HZ LYS 94 1HZ LYS 94 5.960 10.320 16.514 692 2HZ LYS 94 3HZ LYS 94 4.298 10.394 16.821 693 3HZ LYS 94 2HZ LYS 94 5.038 11.628 15.926 694 H CYS 95 H CYS 95 12.174 13.152 19.383 695 HA CYS 95 HA CYS 95 12.692 12.376 22.099 696 1HB CYS 95 2HB CYS 95 14.364 13.274 19.823 697 2HB CYS 95 1HB CYS 95 14.971 13.825 21.366 698 H SER 96 H SER 96 12.534 15.623 20.547 699 HA SER 96 HA SER 96 13.216 16.996 22.980 700 1HB SER 96 2HB SER 96 13.432 17.986 20.593 701 2HB SER 96 1HB SER 96 11.709 18.297 20.688 702 HG SER 96 HG SER 96 12.913 20.094 21.403 703 H SER 97 H SER 97 10.152 15.865 21.670 704 HA SER 97 HA SER 97 8.608 17.287 23.730 705 1HB SER 97 2HB SER 97 6.624 16.405 22.453 706 2HB SER 97 1HB SER 97 7.647 17.525 21.599 707 HG SER 97 HG SER 97 7.830 15.984 20.154 708 H LEU 98 HN LEU 98 9.911 14.097 23.419 709 HA LEU 98 HA LEU 98 7.850 12.844 25.092 710 1HB LEU 98 2HB LEU 98 8.876 11.758 23.102 711 2HB LEU 98 1HB LEU 98 10.404 11.747 23.933 712 HG LEU 98 HG LEU 98 9.120 9.592 23.844 713 1HD1 LEU 98 1HD1 LEU 98 10.898 10.305 25.619 714 2HD1 LEU 98 3HD1 LEU 98 9.524 10.299 26.721 715 3HD1 LEU 98 2HD1 LEU 98 9.964 8.834 25.849 716 1HD2 LEU 98 1HD2 LEU 98 6.867 10.607 24.350 717 2HD2 LEU 98 3HD2 LEU 98 7.268 9.206 25.341 718 3HD2 LEU 98 2HD2 LEU 98 7.405 10.828 26.018 No H/Q in entry = 718
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