NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595722 | 2n7j | 25807 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.669 -3.955 6 HB3 MET 1 HB3 MET 1 0.868 -13.559 -2.422 7 HG2 MET 1 HG2 MET 1 1.172 -15.669 -3.629 8 HG3 MET 1 HG3 MET 1 1.246 -14.780 -5.167 9 HE1 MET 1 HE1 MET 1 4.724 -15.694 -5.300 10 HE2 MET 1 HE2 MET 1 3.102 -16.386 -5.322 11 HE3 MET 1 HE3 MET 1 4.170 -16.687 -3.952 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.142 -12.578 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.570 0.726 16 HG2 GLN 2 HG2 GLN 2 -3.208 -10.467 1.581 17 HG3 GLN 2 HG3 GLN 2 -4.250 -10.037 0.204 18 HE21 GLN 2 HE21 GLN 2 -4.938 -9.734 2.926 19 HE22 GLN 2 HE22 GLN 2 -6.322 -10.832 3.258 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.904 -2.052 23 HB3 TYR 3 HB3 TYR 3 0.578 -6.527 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.770 -9.202 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.327 -1.623 26 HE1 TYR 3 HE1 TYR 3 0.662 -10.561 -4.731 27 HE2 TYR 3 HE2 TYR 3 4.120 -8.681 -3.088 28 HH TYR 3 HH TYR 3 3.958 -9.912 -5.205 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.649 -7.202 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.259 4.207 33 HG2 LYS 4 HG2 LYS 4 -1.562 -4.302 4.886 34 HG3 LYS 4 HG3 LYS 4 -2.979 -5.381 4.864 35 HD2 LYS 4 HD2 LYS 4 -0.488 -5.888 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.935 -5.050 7.130 37 HE2 LYS 4 HE2 LYS 4 -3.292 -6.998 6.795 38 HE3 LYS 4 HE3 LYS 4 -1.981 -7.828 5.924 39 HZ1 LYS 4 HZ1 LYS 4 -0.891 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.440 -8.280 8.444 41 HZ3 LYS 4 HZ3 LYS 4 -1.478 -6.948 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.417 -1.402 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.153 1.688 46 HG LEU 5 HG LEU 5 -1.558 0.812 2.704 47 HD11 LEU 5 HD11 LEU 5 0.684 0.321 2.052 48 HD12 LEU 5 HD12 LEU 5 0.195 1.786 1.202 49 HD13 LEU 5 HD13 LEU 5 0.240 0.244 0.347 50 HD21 LEU 5 HD21 LEU 5 -2.264 2.307 0.995 51 HD22 LEU 5 HD22 LEU 5 -3.377 0.939 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.110 1.070 -0.252 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.390 6.830 56 HG11 VAL 6 HG11 VAL 6 0.912 0.131 9.082 57 HG12 VAL 6 HG12 VAL 6 -0.818 -0.186 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.123 1.246 8.190 59 HG21 VAL 6 HG21 VAL 6 -0.880 -2.366 7.364 60 HG22 VAL 6 HG22 VAL 6 0.539 -2.307 8.412 61 HG23 VAL 6 HG23 VAL 6 0.728 -2.624 6.687 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.982 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.131 3.930 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.913 2.521 3.981 67 HG21 ILE 7 HG21 ILE 7 -3.201 6.096 4.425 68 HG22 ILE 7 HG22 ILE 7 -1.529 5.985 4.975 69 HG23 ILE 7 HG23 ILE 7 -2.834 6.166 6.147 70 HD11 ILE 7 HD11 ILE 7 -4.341 3.569 2.310 71 HD12 ILE 7 HD12 ILE 7 -4.283 5.093 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.057 3.681 3.918 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.548 3.939 9.332 76 HB3 ASN 8 HB3 ASN 8 2.396 5.348 8.658 77 HD21 ASN 8 HD21 ASN 8 3.848 5.558 10.307 78 HD22 ASN 8 HD22 ASN 8 3.361 6.072 11.960 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.710 13.836 8.502 85 HB3 LYS 10 HB3 LYS 10 -1.447 14.382 10.170 86 HG2 LYS 10 HG2 LYS 10 0.823 14.155 10.040 87 HG3 LYS 10 HG3 LYS 10 0.735 12.836 8.848 88 HD2 LYS 10 HD2 LYS 10 1.598 14.680 7.657 89 HD3 LYS 10 HD3 LYS 10 -0.123 14.601 7.205 90 HE2 LYS 10 HE2 LYS 10 -0.675 16.408 8.660 91 HE3 LYS 10 HE3 LYS 10 0.929 16.365 9.430 92 HZ1 LYS 10 HZ1 LYS 10 0.233 17.300 6.722 93 HZ2 LYS 10 HZ2 LYS 10 1.794 16.918 7.133 94 HZ3 LYS 10 HZ3 LYS 10 1.001 18.133 7.937 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.030 13.200 8.942 98 HG1 THR 11 HG1 THR 11 -6.365 13.485 6.976 99 HG21 THR 11 HG21 THR 11 -4.532 14.723 9.645 100 HG22 THR 11 HG22 THR 11 -6.109 14.775 10.435 101 HG23 THR 11 HG23 THR 11 -5.910 15.452 8.819 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.905 9.384 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.719 6.071 106 HG LEU 12 HG LEU 12 -6.176 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.047 7.040 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.568 6.056 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.875 7.792 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.005 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.360 6.276 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.047 7.444 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.480 11.773 116 HB3 LYS 13 HB3 LYS 13 -3.899 4.601 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.744 6.722 11.072 118 HG3 LYS 13 HG3 LYS 13 -4.266 7.603 11.347 119 HD2 LYS 13 HD2 LYS 13 -4.351 6.737 13.646 120 HD3 LYS 13 HD3 LYS 13 -2.829 5.854 13.370 121 HE2 LYS 13 HE2 LYS 13 -1.748 7.769 12.880 122 HE3 LYS 13 HE3 LYS 13 -3.172 8.816 13.077 123 HZ1 LYS 13 HZ1 LYS 13 -2.948 8.642 15.438 124 HZ2 LYS 13 HZ2 LYS 13 -1.488 9.119 14.816 125 HZ3 LYS 13 HZ3 LYS 13 -1.701 7.552 15.314 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.705 -2.557 8.024 132 HB3 GLU 15 HB3 GLU 15 -4.673 -3.291 6.781 133 HG2 GLU 15 HG2 GLU 15 -2.777 -1.898 7.664 134 HG3 GLU 15 HG3 GLU 15 -3.842 -1.423 9.007 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.281 -0.837 2.610 138 HG1 THR 16 HG1 THR 16 -8.570 -2.134 1.498 139 HG21 THR 16 HG21 THR 16 -4.802 -0.841 1.986 140 HG22 THR 16 HG22 THR 16 -5.944 -0.171 0.822 141 HG23 THR 16 HG23 THR 16 -5.285 -1.789 0.581 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.467 -7.856 1.229 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.896 146 HG21 THR 17 HG21 THR 17 -5.537 -8.087 3.490 147 HG22 THR 17 HG22 THR 17 -6.539 -6.655 3.726 148 HG23 THR 17 HG23 THR 17 -4.818 -6.481 3.385 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.092 -4.536 -3.123 152 HG1 THR 18 HG1 THR 18 -6.412 -5.116 -4.771 153 HG21 THR 18 HG21 THR 18 -3.250 -6.150 -4.756 154 HG22 THR 18 HG22 THR 18 -2.961 -6.183 -3.016 155 HG23 THR 18 HG23 THR 18 -2.982 -4.645 -3.879 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.723 -10.224 -5.756 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.460 160 HG2 LYS 19 HG2 LYS 19 -6.685 -10.376 -3.003 161 HG3 LYS 19 HG3 LYS 19 -7.956 -11.014 -4.075 162 HD2 LYS 19 HD2 LYS 19 -5.515 -12.594 -3.216 163 HD3 LYS 19 HD3 LYS 19 -7.080 -12.644 -2.366 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.147 -5.326 165 HE3 LYS 19 HE3 LYS 19 -6.490 -14.435 -4.201 166 HZ1 LYS 19 HZ1 LYS 19 -8.743 -13.809 -3.088 167 HZ2 LYS 19 HZ2 LYS 19 -8.712 -14.826 -4.398 168 HZ3 LYS 19 HZ3 LYS 19 -9.124 -13.232 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.970 -12.793 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.470 -13.263 -10.589 178 HG12 VAL 21 HG12 VAL 21 -1.065 -12.866 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.817 -11.654 -11.222 180 HG21 VAL 21 HG21 VAL 21 -0.153 -10.033 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.870 -10.998 -12.592 182 HG23 VAL 21 HG23 VAL 21 1.533 -10.323 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.604 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.325 -10.821 -9.944 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.724 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.697 -3.946 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.651 -3.790 -9.016 197 HG3 GLU 24 HG3 GLU 24 7.755 -5.562 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.799 -6.738 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.105 -11.650 202 HG21 THR 25 HG21 THR 25 -0.734 -4.607 -11.361 203 HG22 THR 25 HG22 THR 25 -1.272 -5.686 -10.074 204 HG23 THR 25 HG23 THR 25 -0.986 -6.321 -11.695 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.775 -5.973 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.205 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.568 215 HG3 GLU 27 HG3 GLU 27 4.528 0.425 -5.114 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.629 219 HB3 LYS 28 HB3 LYS 28 -0.026 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.387 0.741 -11.283 221 HG3 LYS 28 HG3 LYS 28 2.447 -0.890 -10.569 222 HD2 LYS 28 HD2 LYS 28 1.656 -1.906 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.410 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.011 0.519 -13.701 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.752 -12.824 226 HZ1 LYS 28 HZ1 LYS 28 3.024 -2.352 -14.429 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.172 -15.180 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.135 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.017 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.682 0.818 -2.281 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.437 -2.032 239 HD2 PHE 30 HD2 PHE 30 0.466 -2.173 -3.128 240 HE1 PHE 30 HE1 PHE 30 -4.039 -2.618 -1.198 241 HE2 PHE 30 HE2 PHE 30 -0.304 -4.356 -2.297 242 HZ PHE 30 HZ PHE 30 -2.558 -4.581 -1.328 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.593 3.713 -7.270 246 HB3 LYS 31 HB3 LYS 31 0.738 5.399 -6.735 247 HG2 LYS 31 HG2 LYS 31 2.106 4.263 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.352 3.004 -5.990 249 HD2 LYS 31 HD2 LYS 31 3.123 4.814 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.053 5.948 -6.184 251 HE2 LYS 31 HE2 LYS 31 4.852 4.986 -5.120 252 HE3 LYS 31 HE3 LYS 31 4.575 3.391 -5.859 253 HZ1 LYS 31 HZ1 LYS 31 5.563 5.751 -7.346 254 HZ2 LYS 31 HZ2 LYS 31 5.464 4.191 -7.901 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.578 -6.708 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.500 3.609 -8.526 261 HG3 GLN 32 HG3 GLN 32 -6.126 5.217 -7.865 262 HE21 GLN 32 HE21 GLN 32 -7.862 5.108 -9.892 263 HE22 GLN 32 HE22 GLN 32 -7.097 5.698 -11.409 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.027 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.535 -2.831 268 HD1 TYR 33 HD2 TYR 33 -5.153 3.826 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.559 -2.753 270 HE1 TYR 33 HE2 TYR 33 -6.530 3.780 1.342 271 HE2 TYR 33 HE1 TYR 33 -9.492 1.508 -0.721 272 HH TYR 33 HH TYR 33 -8.644 1.843 2.095 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.432 8.932 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.067 8.439 -6.386 282 HD21 ASN 35 HD21 ASN 35 -2.672 9.830 -8.158 283 HD22 ASN 35 HD22 ASN 35 -3.271 11.521 -8.264 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.433 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.700 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.854 7.527 0.040 291 HB3 ASN 37 HB3 ASN 37 -7.756 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.936 6.183 -1.400 293 HD22 ASN 37 HD22 ASN 37 -9.605 5.610 -1.059 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.631 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.342 8.887 3.694 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.080 2.237 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.614 303 HG21 VAL 39 HG21 VAL 39 -3.981 7.945 3.011 304 HG22 VAL 39 HG22 VAL 39 -4.523 9.463 2.295 305 HG23 VAL 39 HG23 VAL 39 -3.472 9.481 3.709 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.400 12.551 -1.146 309 HB3 ASP 40 HB3 ASP 40 1.084 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.700 3.441 316 HG11 VAL 42 HG11 VAL 42 9.236 5.747 2.247 317 HG12 VAL 42 HG12 VAL 42 10.398 6.800 3.055 318 HG13 VAL 42 HG13 VAL 42 10.196 6.889 1.306 319 HG21 VAL 42 HG21 VAL 42 10.227 9.173 2.565 320 HG22 VAL 42 HG22 VAL 42 8.637 9.873 2.867 321 HG23 VAL 42 HG23 VAL 42 9.127 9.473 1.223 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.982 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.936 6.244 -1.917 327 HE1 TRP 43 HE1 TRP 43 3.419 6.588 -2.448 328 HE3 TRP 43 HE3 TRP 43 4.306 1.511 -0.886 329 HZ2 TRP 43 HZ2 TRP 43 1.079 4.995 -2.409 330 HZ3 TRP 43 HZ3 TRP 43 1.916 1.000 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.336 2.707 -1.903 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.667 -0.140 3.544 335 HG1 THR 44 HG1 THR 44 7.536 1.699 3.896 336 HG21 THR 44 HG21 THR 44 10.943 1.891 2.838 337 HG22 THR 44 HG22 THR 44 10.577 1.795 4.561 338 HG23 THR 44 HG23 THR 44 9.642 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.673 -2.549 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.129 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.137 -4.590 0.443 344 HD2 TYR 45 HD2 TYR 45 9.499 -5.034 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.394 -6.863 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.766 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.347 -9.111 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.864 -5.219 5.111 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.222 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.702 -8.633 -0.547 355 HB3 ASP 47 HB3 ASP 47 11.207 -9.846 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.394 364 HG1 THR 49 HG1 THR 49 6.498 -8.118 5.544 365 HG21 THR 49 HG21 THR 49 5.377 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.117 7.526 367 HG23 THR 49 HG23 THR 49 6.527 -10.823 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.525 1.637 371 HB3 LYS 50 HB3 LYS 50 2.795 -9.749 0.045 372 HG2 LYS 50 HG2 LYS 50 4.884 -11.693 1.019 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.216 374 HD2 LYS 50 HD2 LYS 50 4.000 -10.612 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.603 -10.495 -0.893 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.624 -1.474 377 HE3 LYS 50 HE3 LYS 50 4.516 -13.228 -1.384 378 HZ1 LYS 50 HZ1 LYS 50 4.054 -12.216 -3.481 379 HZ2 LYS 50 HZ2 LYS 50 5.424 -13.135 -3.657 380 HZ3 LYS 50 HZ3 LYS 50 5.544 -11.485 -3.545 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.928 4.985 384 HG1 THR 51 HG1 THR 51 1.825 -6.888 4.749 385 HG21 THR 51 HG21 THR 51 3.346 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.059 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.816 -4.542 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.043 0.448 391 HB3 PHE 52 HB3 PHE 52 3.372 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.344 -1.183 393 HD2 PHE 52 HD1 PHE 52 2.125 -4.110 -0.745 394 HE1 PHE 52 HE2 PHE 52 6.143 -2.590 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.930 -5.360 -2.706 396 HZ PHE 52 HZ PHE 52 4.942 -4.599 -3.909 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.606 5.228 400 HG1 THR 53 HG1 THR 53 5.333 -1.374 5.811 401 HG21 THR 53 HG21 THR 53 5.305 1.874 7.000 402 HG22 THR 53 HG22 THR 53 3.795 1.023 7.332 403 HG23 THR 53 HG23 THR 53 3.839 2.300 6.116 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.367 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.605 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.272 3.628 409 HG13 VAL 54 HG13 VAL 54 0.753 3.535 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.358 6.137 1.232 412 HG23 VAL 54 HG23 VAL 54 2.729 6.716 2.775 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.488 6.408 416 HG1 THR 55 HG1 THR 55 4.823 4.763 7.957 417 HG21 THR 55 HG21 THR 55 4.968 6.785 8.990 418 HG22 THR 55 HG22 THR 55 5.623 8.147 8.079 419 HG23 THR 55 HG23 THR 55 6.704 6.905 8.709 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.454 10.416 6.791 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.971 424 HG2 GLU 56 HG2 GLU 56 1.889 10.465 3.822 425 HG3 GLU 56 HG3 GLU 56 0.923 9.342 4.807 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.670 -3.956 6 HB3 MET 1 HB3 MET 1 0.868 -13.557 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.654 -4.039 8 HG3 MET 1 HG3 MET 1 1.659 -14.494 -5.144 9 HE1 MET 1 HE1 MET 1 3.247 -16.827 -1.767 10 HE2 MET 1 HE2 MET 1 1.558 -16.455 -2.112 11 HE3 MET 1 HE3 MET 1 2.472 -15.447 -0.991 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.952 -12.923 0.405 15 HB3 GLN 2 HB3 GLN 2 -3.272 -11.243 0.878 16 HG2 GLN 2 HG2 GLN 2 -5.290 -11.168 -0.268 17 HG3 GLN 2 HG3 GLN 2 -4.864 -12.542 -1.315 18 HE21 GLN 2 HE21 GLN 2 -7.292 -12.261 0.100 19 HE22 GLN 2 HE22 GLN 2 -7.363 -13.584 1.316 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.906 -2.053 23 HB3 TYR 3 HB3 TYR 3 0.577 -6.526 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.766 -9.205 -3.265 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.324 -1.621 26 HE1 TYR 3 HE1 TYR 3 0.670 -10.562 -4.728 27 HE2 TYR 3 HE2 TYR 3 4.123 -8.677 -3.083 28 HH TYR 3 HH TYR 3 3.966 -9.910 -5.200 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.165 -6.405 4.155 32 HB3 LYS 4 HB3 LYS 4 -1.565 -5.436 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.042 -7.320 3.933 34 HG3 LYS 4 HG3 LYS 4 -1.575 -8.288 3.643 35 HD2 LYS 4 HD2 LYS 4 -2.254 -6.993 6.299 36 HD3 LYS 4 HD3 LYS 4 -2.672 -8.672 5.875 37 HE2 LYS 4 HE2 LYS 4 -0.361 -9.264 5.646 38 HE3 LYS 4 HE3 LYS 4 0.147 -7.565 5.793 39 HZ1 LYS 4 HZ1 LYS 4 -0.183 -7.590 8.030 40 HZ2 LYS 4 HZ2 LYS 4 0.217 -9.186 7.826 41 HZ3 LYS 4 HZ3 LYS 4 -1.373 -8.747 7.989 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.418 -1.403 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.152 1.689 46 HG LEU 5 HG LEU 5 -1.556 0.813 2.703 47 HD11 LEU 5 HD11 LEU 5 0.685 0.319 2.050 48 HD12 LEU 5 HD12 LEU 5 0.197 1.784 1.199 49 HD13 LEU 5 HD13 LEU 5 0.240 0.241 0.345 50 HD21 LEU 5 HD21 LEU 5 -2.262 2.307 0.994 51 HD22 LEU 5 HD22 LEU 5 -3.376 0.940 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.069 -0.253 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.393 6.829 56 HG11 VAL 6 HG11 VAL 6 0.915 0.133 9.080 57 HG12 VAL 6 HG12 VAL 6 -0.815 -0.180 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.118 1.249 8.187 59 HG21 VAL 6 HG21 VAL 6 -0.884 -2.363 7.369 60 HG22 VAL 6 HG22 VAL 6 0.536 -2.305 8.415 61 HG23 VAL 6 HG23 VAL 6 0.723 -2.626 6.690 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.984 5.931 65 HG12 ILE 7 HG12 ILE 7 -2.133 3.926 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.915 2.519 3.984 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.095 4.422 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.984 4.972 69 HG23 ILE 7 HG23 ILE 7 -2.832 6.167 6.144 70 HD11 ILE 7 HD11 ILE 7 -4.344 3.565 2.312 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.091 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.058 3.681 3.921 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 2.359 5.135 8.551 76 HB3 ASN 8 HB3 ASN 8 1.861 5.610 10.190 77 HD21 ASN 8 HD21 ASN 8 2.497 3.968 11.417 78 HD22 ASN 8 HD22 ASN 8 2.010 2.257 11.155 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.155 13.601 8.999 85 HB3 LYS 10 HB3 LYS 10 -1.863 13.925 8.638 86 HG2 LYS 10 HG2 LYS 10 -2.183 15.151 10.540 87 HG3 LYS 10 HG3 LYS 10 -0.946 14.258 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.027 16.404 11.120 89 HD3 LYS 10 HD3 LYS 10 0.764 15.365 9.908 90 HE2 LYS 10 HE2 LYS 10 -0.621 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.695 17.029 9.316 92 HZ1 LYS 10 HZ1 LYS 10 1.058 17.758 8.552 93 HZ2 LYS 10 HZ2 LYS 10 0.357 18.346 9.936 94 HZ3 LYS 10 HZ3 LYS 10 -0.319 18.682 8.459 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.826 14.217 9.493 98 HG1 THR 11 HG1 THR 11 -7.827 13.868 8.981 99 HG21 THR 11 HG21 THR 11 -5.270 12.683 6.964 100 HG22 THR 11 HG22 THR 11 -4.387 14.057 7.632 101 HG23 THR 11 HG23 THR 11 -6.010 14.283 6.982 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.906 9.383 6.326 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.720 6.071 106 HG LEU 12 HG LEU 12 -6.173 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.045 7.037 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.564 6.052 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.874 7.788 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.709 8.003 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.357 6.275 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.045 7.445 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.481 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.900 4.600 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.958 6.934 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.375 7.557 11.714 119 HD2 LYS 13 HD2 LYS 13 -3.692 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.590 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.553 8.606 13.064 122 HE3 LYS 13 HE3 LYS 13 -1.714 7.610 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.247 6.817 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.242 8.474 12.533 125 HZ3 LYS 13 HZ3 LYS 13 -1.077 7.617 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.705 -2.556 8.025 132 HB3 GLU 15 HB3 GLU 15 -4.674 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -2.863 -1.651 7.726 134 HG3 GLU 15 HG3 GLU 15 -3.919 -1.633 9.158 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.277 -0.835 2.610 138 HG1 THR 16 HG1 THR 16 -8.573 -2.130 1.503 139 HG21 THR 16 HG21 THR 16 -4.801 -0.846 1.981 140 HG22 THR 16 HG22 THR 16 -5.943 -0.174 0.818 141 HG23 THR 16 HG23 THR 16 -5.290 -1.794 0.577 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.465 -7.856 1.231 145 HG1 THR 17 HG1 THR 17 -7.878 -6.502 1.893 146 HG21 THR 17 HG21 THR 17 -5.539 -8.086 3.492 147 HG22 THR 17 HG22 THR 17 -6.542 -6.654 3.725 148 HG23 THR 17 HG23 THR 17 -4.821 -6.479 3.387 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.096 -4.535 -3.125 152 HG1 THR 18 HG1 THR 18 -6.409 -5.122 -4.776 153 HG21 THR 18 HG21 THR 18 -3.245 -6.148 -4.750 154 HG22 THR 18 HG22 THR 18 -2.961 -6.177 -3.009 155 HG23 THR 18 HG23 THR 18 -2.983 -4.640 -3.874 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.753 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.603 -5.462 160 HG2 LYS 19 HG2 LYS 19 -6.682 -10.381 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.017 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.511 -12.598 -3.221 163 HD3 LYS 19 HD3 LYS 19 -7.075 -12.650 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.329 165 HE3 LYS 19 HE3 LYS 19 -6.487 -14.437 -4.208 166 HZ1 LYS 19 HZ1 LYS 19 -8.737 -13.814 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.709 -14.829 -4.402 168 HZ3 LYS 19 HZ3 LYS 19 -9.122 -13.234 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.972 -12.791 -11.040 177 HG11 VAL 21 HG11 VAL 21 -1.467 -13.267 -10.588 178 HG12 VAL 21 HG12 VAL 21 -1.064 -12.869 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.818 -11.659 -11.222 180 HG21 VAL 21 HG21 VAL 21 -0.158 -10.034 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.867 -10.996 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.530 -10.320 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.357 -9.608 -9.158 186 HB3 ASP 22 HB3 ASP 22 4.322 -10.820 -9.946 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.725 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.696 -3.947 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.650 -3.789 -9.016 197 HG3 GLU 24 HG3 GLU 24 7.755 -5.561 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.800 -6.738 -9.910 201 HG1 THR 25 HG1 THR 25 1.901 -7.104 -11.651 202 HG21 THR 25 HG21 THR 25 -0.735 -4.608 -11.360 203 HG22 THR 25 HG22 THR 25 -1.272 -5.687 -10.073 204 HG23 THR 25 HG23 THR 25 -0.986 -6.321 -11.694 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.776 -5.974 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.203 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.763 1.104 -6.564 215 HG3 GLU 27 HG3 GLU 27 4.529 0.422 -5.111 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.026 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.387 0.742 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.448 -0.889 -10.569 222 HD2 LYS 28 HD2 LYS 28 1.656 -1.906 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.410 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.010 0.520 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.751 -12.825 226 HZ1 LYS 28 HZ1 LYS 28 3.024 -2.350 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.170 -15.181 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.134 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.018 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.683 0.818 -2.281 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.438 -2.033 239 HD2 PHE 30 HD2 PHE 30 0.466 -2.173 -3.128 240 HE1 PHE 30 HE1 PHE 30 -4.038 -2.620 -1.199 241 HE2 PHE 30 HE2 PHE 30 -0.302 -4.356 -2.299 242 HZ PHE 30 HZ PHE 30 -2.557 -4.582 -1.330 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 1.640 3.853 -6.033 246 HB3 LYS 31 HB3 LYS 31 0.471 3.922 -7.366 247 HG2 LYS 31 HG2 LYS 31 0.186 6.421 -6.495 248 HG3 LYS 31 HG3 LYS 31 1.838 6.129 -5.898 249 HD2 LYS 31 HD2 LYS 31 2.447 5.365 -8.214 250 HD3 LYS 31 HD3 LYS 31 0.835 5.901 -8.750 251 HE2 LYS 31 HE2 LYS 31 1.337 8.131 -8.482 252 HE3 LYS 31 HE3 LYS 31 2.553 7.817 -7.221 253 HZ1 LYS 31 HZ1 LYS 31 2.927 7.146 -10.078 254 HZ2 LYS 31 HZ2 LYS 31 4.069 7.073 -8.878 255 HZ3 LYS 31 HZ3 LYS 31 3.483 8.543 -9.374 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.786 4.001 -9.057 259 HB3 GLN 32 HB3 GLN 32 -4.504 2.933 -7.836 260 HG2 GLN 32 HG2 GLN 32 -6.425 4.517 -7.672 261 HG3 GLN 32 HG3 GLN 32 -5.720 5.436 -9.022 262 HE21 GLN 32 HE21 GLN 32 -8.276 3.903 -8.689 263 HE22 GLN 32 HE22 GLN 32 -8.290 2.766 -10.083 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.029 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.534 -2.833 268 HD1 TYR 33 HD2 TYR 33 -5.147 3.825 -0.697 269 HD2 TYR 33 HD1 TYR 33 -8.108 1.561 -2.749 270 HE1 TYR 33 HE2 TYR 33 -6.521 3.782 1.344 271 HE2 TYR 33 HE1 TYR 33 -9.489 1.512 -0.715 272 HH TYR 33 HH TYR 33 -8.636 1.847 2.100 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.858 8.281 -6.318 281 HB3 ASN 35 HB3 ASN 35 -3.905 10.056 -6.373 282 HD21 ASN 35 HD21 ASN 35 -2.161 8.872 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.048 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.432 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.700 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.852 7.529 0.043 291 HB3 ASN 37 HB3 ASN 37 -7.759 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.927 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.596 5.606 -1.065 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.629 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.345 8.889 3.696 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.082 2.241 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.517 2.617 303 HG21 VAL 39 HG21 VAL 39 -3.983 7.943 3.008 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.461 2.291 305 HG23 VAL 39 HG23 VAL 39 -3.476 9.480 3.707 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.551 -1.144 309 HB3 ASP 40 HB3 ASP 40 1.086 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.701 3.441 316 HG11 VAL 42 HG11 VAL 42 9.234 5.747 2.248 317 HG12 VAL 42 HG12 VAL 42 10.397 6.799 3.056 318 HG13 VAL 42 HG13 VAL 42 10.195 6.888 1.307 319 HG21 VAL 42 HG21 VAL 42 10.228 9.172 2.565 320 HG22 VAL 42 HG22 VAL 42 8.639 9.874 2.866 321 HG23 VAL 42 HG23 VAL 42 9.128 9.472 1.222 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.437 3.980 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.573 2.507 -1.207 326 HD1 TRP 43 HD1 TRP 43 5.944 6.245 -1.919 327 HE1 TRP 43 HE1 TRP 43 3.428 6.596 -2.452 328 HE3 TRP 43 HE3 TRP 43 4.300 1.517 -0.886 329 HZ2 TRP 43 HZ2 TRP 43 1.084 5.010 -2.413 330 HZ3 TRP 43 HZ3 TRP 43 1.909 1.013 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.334 2.724 -1.905 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.668 -0.140 3.543 335 HG1 THR 44 HG1 THR 44 7.536 1.699 3.896 336 HG21 THR 44 HG21 THR 44 10.943 1.891 2.838 337 HG22 THR 44 HG22 THR 44 10.577 1.795 4.561 338 HG23 THR 44 HG23 THR 44 9.641 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.675 -2.547 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.347 -3.131 -0.814 343 HD1 TYR 45 HD1 TYR 45 6.133 -4.584 0.442 344 HD2 TYR 45 HD2 TYR 45 9.495 -5.037 -2.125 345 HE1 TYR 45 HE1 TYR 45 5.384 -6.855 -0.131 346 HE2 TYR 45 HE2 TYR 45 8.757 -7.310 -2.705 347 HH TYR 45 HH TYR 45 7.332 -9.108 -1.640 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.865 -5.219 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.220 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.702 -8.633 -0.547 355 HB3 ASP 47 HB3 ASP 47 11.206 -9.847 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.167 -9.511 6.393 364 HG1 THR 49 HG1 THR 49 6.502 -8.120 5.546 365 HG21 THR 49 HG21 THR 49 5.373 -9.973 8.185 366 HG22 THR 49 HG22 THR 49 6.770 -9.121 7.529 367 HG23 THR 49 HG23 THR 49 6.523 -10.826 7.154 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.525 1.636 371 HB3 LYS 50 HB3 LYS 50 2.795 -9.750 0.045 372 HG2 LYS 50 HG2 LYS 50 4.884 -11.693 1.021 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.217 374 HD2 LYS 50 HD2 LYS 50 4.001 -10.613 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.603 -10.496 -0.892 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.625 -1.472 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.229 -1.382 378 HZ1 LYS 50 HZ1 LYS 50 4.055 -12.217 -3.480 379 HZ2 LYS 50 HZ2 LYS 50 5.425 -13.137 -3.655 380 HZ3 LYS 50 HZ3 LYS 50 5.545 -11.487 -3.543 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.929 4.985 384 HG1 THR 51 HG1 THR 51 1.823 -6.885 4.749 385 HG21 THR 51 HG21 THR 51 3.350 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.061 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.819 -4.539 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.043 0.448 391 HB3 PHE 52 HB3 PHE 52 3.372 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.344 -1.183 393 HD2 PHE 52 HD1 PHE 52 2.125 -4.110 -0.745 394 HE1 PHE 52 HE2 PHE 52 6.143 -2.590 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.930 -5.360 -2.706 396 HZ PHE 52 HZ PHE 52 4.942 -4.599 -3.909 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.609 5.228 400 HG1 THR 53 HG1 THR 53 5.337 -1.373 5.809 401 HG21 THR 53 HG21 THR 53 5.301 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.794 1.019 7.333 403 HG23 THR 53 HG23 THR 53 3.835 2.297 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.367 4.027 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.606 2.081 408 HG12 VAL 54 HG12 VAL 54 0.663 5.274 3.628 409 HG13 VAL 54 HG13 VAL 54 0.753 3.536 3.343 410 HG21 VAL 54 HG21 VAL 54 1.640 6.490 1.407 411 HG22 VAL 54 HG22 VAL 54 3.358 6.136 1.231 412 HG23 VAL 54 HG23 VAL 54 2.730 6.716 2.774 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.489 6.409 416 HG1 THR 55 HG1 THR 55 4.824 4.762 7.955 417 HG21 THR 55 HG21 THR 55 4.968 6.783 8.990 418 HG22 THR 55 HG22 THR 55 5.622 8.146 8.081 419 HG23 THR 55 HG23 THR 55 6.703 6.905 8.710 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.432 10.214 5.203 423 HB3 GLU 56 HB3 GLU 56 1.534 10.677 6.912 424 HG2 GLU 56 HG2 GLU 56 2.636 12.856 5.878 425 HG3 GLU 56 HG3 GLU 56 1.695 12.351 4.455 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.670 -3.956 6 HB3 MET 1 HB3 MET 1 0.868 -13.557 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.654 -4.038 8 HG3 MET 1 HG3 MET 1 1.659 -14.495 -5.144 9 HE1 MET 1 HE1 MET 1 3.247 -16.827 -1.766 10 HE2 MET 1 HE2 MET 1 1.558 -16.455 -2.111 11 HE3 MET 1 HE3 MET 1 2.472 -15.446 -0.990 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.141 -12.579 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.570 0.727 16 HG2 GLN 2 HG2 GLN 2 -3.209 -10.467 1.580 17 HG3 GLN 2 HG3 GLN 2 -4.251 -10.038 0.203 18 HE21 GLN 2 HE21 GLN 2 -4.939 -9.734 2.925 19 HE22 GLN 2 HE22 GLN 2 -6.323 -10.832 3.257 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.903 -2.051 23 HB3 TYR 3 HB3 TYR 3 0.579 -6.528 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.773 -9.201 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.330 -1.625 26 HE1 TYR 3 HE1 TYR 3 0.657 -10.560 -4.733 27 HE2 TYR 3 HE2 TYR 3 4.118 -8.685 -3.091 28 HH TYR 3 HH TYR 3 3.953 -9.914 -5.209 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.652 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.261 4.206 33 HG2 LYS 4 HG2 LYS 4 -1.556 -4.301 4.885 34 HG3 LYS 4 HG3 LYS 4 -2.976 -5.375 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.485 -5.889 6.515 36 HD3 LYS 4 HD3 LYS 4 -1.929 -5.047 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.991 6.798 38 HE3 LYS 4 HE3 LYS 4 -1.984 -7.826 5.925 39 HZ1 LYS 4 HZ1 LYS 4 -0.893 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.276 8.446 41 HZ3 LYS 4 HZ3 LYS 4 -1.475 -6.946 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.420 -1.404 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.150 1.691 46 HG LEU 5 HG LEU 5 -1.551 0.814 2.701 47 HD11 LEU 5 HD11 LEU 5 0.688 0.316 2.045 48 HD12 LEU 5 HD12 LEU 5 0.201 1.780 1.194 49 HD13 LEU 5 HD13 LEU 5 0.241 0.237 0.342 50 HD21 LEU 5 HD21 LEU 5 -2.258 2.307 0.991 51 HD22 LEU 5 HD22 LEU 5 -3.374 0.942 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.108 1.068 -0.254 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.389 6.830 56 HG11 VAL 6 HG11 VAL 6 0.912 0.131 9.082 57 HG12 VAL 6 HG12 VAL 6 -0.818 -0.187 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.124 1.245 8.190 59 HG21 VAL 6 HG21 VAL 6 -0.879 -2.367 7.364 60 HG22 VAL 6 HG22 VAL 6 0.539 -2.307 8.411 61 HG23 VAL 6 HG23 VAL 6 0.729 -2.624 6.686 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.982 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.131 3.930 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.913 2.521 3.981 67 HG21 ILE 7 HG21 ILE 7 -3.201 6.096 4.425 68 HG22 ILE 7 HG22 ILE 7 -1.529 5.985 4.975 69 HG23 ILE 7 HG23 ILE 7 -2.834 6.166 6.147 70 HD11 ILE 7 HD11 ILE 7 -4.341 3.569 2.310 71 HD12 ILE 7 HD12 ILE 7 -4.283 5.093 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.057 3.681 3.918 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.334 76 HB3 ASN 8 HB3 ASN 8 2.396 5.347 8.657 77 HD21 ASN 8 HD21 ASN 8 1.545 3.675 11.448 78 HD22 ASN 8 HD22 ASN 8 1.976 4.948 12.643 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.155 13.602 9.000 85 HB3 LYS 10 HB3 LYS 10 -1.862 13.924 8.637 86 HG2 LYS 10 HG2 LYS 10 -2.184 15.151 10.539 87 HG3 LYS 10 HG3 LYS 10 -0.948 14.259 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.029 16.405 11.120 89 HD3 LYS 10 HD3 LYS 10 0.763 15.366 9.909 90 HE2 LYS 10 HE2 LYS 10 -0.620 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.696 17.029 9.314 92 HZ1 LYS 10 HZ1 LYS 10 1.057 17.758 8.553 93 HZ2 LYS 10 HZ2 LYS 10 0.355 18.346 9.936 94 HZ3 LYS 10 HZ3 LYS 10 -0.320 18.682 8.459 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.473 13.461 7.912 98 HG1 THR 11 HG1 THR 11 -5.508 15.223 9.045 99 HG21 THR 11 HG21 THR 11 -7.894 12.763 9.558 100 HG22 THR 11 HG22 THR 11 -7.572 12.389 7.864 101 HG23 THR 11 HG23 THR 11 -7.880 14.054 8.357 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.903 9.385 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.284 8.716 6.071 106 HG LEU 12 HG LEU 12 -6.182 6.435 6.416 107 HD11 LEU 12 HD11 LEU 12 -8.051 7.045 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.574 6.061 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.877 7.798 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.711 8.007 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.365 6.278 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.049 7.442 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.481 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.899 4.600 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.959 6.935 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.376 7.557 11.714 119 HD2 LYS 13 HD2 LYS 13 -3.693 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.591 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.554 8.606 13.064 122 HE3 LYS 13 HE3 LYS 13 -1.715 7.611 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.248 6.819 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.244 8.476 12.534 125 HZ3 LYS 13 HZ3 LYS 13 -1.078 7.619 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.704 -2.555 8.026 132 HB3 GLU 15 HB3 GLU 15 -4.675 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -2.795 -1.834 7.671 134 HG3 GLU 15 HG3 GLU 15 -3.862 -1.473 9.048 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -6.984 -2.183 1.174 138 HG1 THR 16 HG1 THR 16 -5.179 -1.033 1.152 139 HG21 THR 16 HG21 THR 16 -8.738 -1.566 2.927 140 HG22 THR 16 HG22 THR 16 -8.435 -0.417 1.625 141 HG23 THR 16 HG23 THR 16 -7.755 -0.133 3.227 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.921 -6.913 2.779 145 HG1 THR 17 HG1 THR 17 -5.175 -8.180 0.344 146 HG21 THR 17 HG21 THR 17 -7.833 -7.998 2.198 147 HG22 THR 17 HG22 THR 17 -7.438 -8.024 0.479 148 HG23 THR 17 HG23 THR 17 -8.021 -6.538 1.227 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.096 -4.535 -3.126 152 HG1 THR 18 HG1 THR 18 -6.409 -5.123 -4.777 153 HG21 THR 18 HG21 THR 18 -3.244 -6.147 -4.749 154 HG22 THR 18 HG22 THR 18 -2.961 -6.176 -3.008 155 HG23 THR 18 HG23 THR 18 -2.983 -4.640 -3.874 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.726 -10.223 -5.752 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.602 -5.464 160 HG2 LYS 19 HG2 LYS 19 -6.680 -10.384 -3.000 161 HG3 LYS 19 HG3 LYS 19 -7.953 -11.019 -4.071 162 HD2 LYS 19 HD2 LYS 19 -5.508 -12.600 -3.224 163 HD3 LYS 19 HD3 LYS 19 -7.071 -12.654 -2.370 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.332 165 HE3 LYS 19 HE3 LYS 19 -6.484 -14.438 -4.212 166 HZ1 LYS 19 HZ1 LYS 19 -8.734 -13.818 -3.091 167 HZ2 LYS 19 HZ2 LYS 19 -8.707 -14.831 -4.404 168 HZ3 LYS 19 HZ3 LYS 19 -9.120 -13.236 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.215 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.227 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.491 -10.880 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.790 -10.669 -11.434 180 HG21 VAL 21 HG21 VAL 21 2.146 -12.958 -11.079 181 HG22 VAL 21 HG22 VAL 21 0.888 -13.527 -12.177 182 HG23 VAL 21 HG23 VAL 21 0.876 -14.028 -10.485 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.605 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.325 -10.820 -9.945 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.727 -5.696 -10.346 195 HB3 GLU 24 HB3 GLU 24 5.694 -3.948 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.649 -3.785 -9.018 197 HG3 GLU 24 HG3 GLU 24 7.756 -5.556 -9.149 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.797 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.902 -7.107 -11.646 202 HG21 THR 25 HG21 THR 25 -0.731 -4.607 -11.365 203 HG22 THR 25 HG22 THR 25 -1.273 -5.683 -10.078 204 HG23 THR 25 HG23 THR 25 -0.984 -6.320 -11.697 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.773 -5.971 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.207 -7.609 214 HG2 GLU 27 HG2 GLU 27 3.761 1.104 -6.574 215 HG3 GLU 27 HG3 GLU 27 4.527 0.429 -5.118 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.040 -0.941 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.028 0.741 -11.194 220 HG2 LYS 28 HG2 LYS 28 2.385 0.745 -11.285 221 HG3 LYS 28 HG3 LYS 28 2.449 -0.886 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.658 -1.904 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.007 0.525 -13.703 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.745 -12.827 226 HZ1 LYS 28 HZ1 LYS 28 3.026 -2.346 -14.431 227 HZ2 LYS 28 HZ2 LYS 28 3.915 -1.164 -15.183 228 HZ3 LYS 28 HZ3 LYS 28 2.259 -1.131 -15.265 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.016 -3.683 237 HB3 PHE 30 HB3 PHE 30 -0.681 0.818 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.434 -2.030 239 HD2 PHE 30 HD2 PHE 30 0.464 -2.174 -3.127 240 HE1 PHE 30 HE1 PHE 30 -4.040 -2.615 -1.194 241 HE2 PHE 30 HE2 PHE 30 -0.306 -4.356 -2.294 242 HZ PHE 30 HZ PHE 30 -2.560 -4.578 -1.324 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.594 3.711 -7.269 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.737 247 HG2 LYS 31 HG2 LYS 31 2.105 4.267 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.354 3.007 -5.988 249 HD2 LYS 31 HD2 LYS 31 3.123 4.815 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.051 5.951 -6.186 251 HE2 LYS 31 HE2 LYS 31 4.851 4.993 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.576 3.397 -5.857 253 HZ1 LYS 31 HZ1 LYS 31 5.562 5.756 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.195 -7.899 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.585 -6.707 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.783 3.998 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.508 2.933 -7.834 260 HG2 GLN 32 HG2 GLN 32 -6.301 3.669 -9.147 261 HG3 GLN 32 HG3 GLN 32 -6.380 4.654 -7.669 262 HE21 GLN 32 HE21 GLN 32 -7.344 6.453 -8.395 263 HE22 GLN 32 HE22 GLN 32 -6.666 7.501 -9.689 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.024 1.919 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.537 -2.829 268 HD1 TYR 33 HD2 TYR 33 -5.160 3.826 -0.694 269 HD2 TYR 33 HD1 TYR 33 -8.106 1.555 -2.759 270 HE1 TYR 33 HE2 TYR 33 -6.542 3.778 1.340 271 HE2 TYR 33 HE1 TYR 33 -9.496 1.503 -0.731 272 HH TYR 33 HH TYR 33 -8.656 1.838 2.087 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.432 8.932 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.068 8.440 -6.386 282 HD21 ASN 35 HD21 ASN 35 -4.396 9.574 -8.180 283 HD22 ASN 35 HD22 ASN 35 -4.313 11.366 -8.277 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.433 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.700 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.852 7.529 0.043 291 HB3 ASN 37 HB3 ASN 37 -7.760 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.926 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.596 5.606 -1.065 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.630 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.343 8.888 3.695 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.081 2.239 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.615 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.010 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.462 2.293 305 HG23 VAL 39 HG23 VAL 39 -3.473 9.481 3.708 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.551 -1.144 309 HB3 ASP 40 HB3 ASP 40 1.086 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.225 7.699 3.441 316 HG11 VAL 42 HG11 VAL 42 9.237 5.748 2.245 317 HG12 VAL 42 HG12 VAL 42 10.399 6.800 3.054 318 HG13 VAL 42 HG13 VAL 42 10.196 6.891 1.305 319 HG21 VAL 42 HG21 VAL 42 10.226 9.174 2.566 320 HG22 VAL 42 HG22 VAL 42 8.636 9.873 2.869 321 HG23 VAL 42 HG23 VAL 42 9.126 9.474 1.224 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.435 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.577 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.933 6.243 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.416 6.586 -2.447 328 HE3 TRP 43 HE3 TRP 43 4.308 1.509 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.078 4.991 -2.408 330 HZ3 TRP 43 HZ3 TRP 43 1.918 0.996 -1.158 331 HH2 TRP 43 HH2 TRP 43 0.337 2.702 -1.902 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.669 -0.140 3.543 335 HG1 THR 44 HG1 THR 44 7.535 1.697 3.896 336 HG21 THR 44 HG21 THR 44 10.941 1.894 2.839 337 HG22 THR 44 HG22 THR 44 10.576 1.796 4.562 338 HG23 THR 44 HG23 THR 44 9.639 2.870 3.521 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.674 -2.549 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.130 -0.814 343 HD1 TYR 45 HD1 TYR 45 6.135 -4.588 0.443 344 HD2 TYR 45 HD2 TYR 45 9.498 -5.035 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.391 -6.860 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.763 -7.310 -2.705 347 HH TYR 45 HH TYR 45 7.343 -9.110 -1.640 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.865 -5.219 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.221 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.704 -8.632 -0.544 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.850 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.514 6.396 364 HG1 THR 49 HG1 THR 49 6.495 -8.116 5.541 365 HG21 THR 49 HG21 THR 49 5.381 -9.971 8.185 366 HG22 THR 49 HG22 THR 49 6.772 -9.114 7.524 367 HG23 THR 49 HG23 THR 49 6.531 -10.820 7.151 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.525 1.636 371 HB3 LYS 50 HB3 LYS 50 2.795 -9.750 0.045 372 HG2 LYS 50 HG2 LYS 50 4.884 -11.693 1.020 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.216 374 HD2 LYS 50 HD2 LYS 50 4.000 -10.613 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.603 -10.495 -0.893 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.625 -1.473 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.229 -1.383 378 HZ1 LYS 50 HZ1 LYS 50 4.055 -12.217 -3.480 379 HZ2 LYS 50 HZ2 LYS 50 5.424 -13.136 -3.656 380 HZ3 LYS 50 HZ3 LYS 50 5.545 -11.486 -3.544 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.927 4.985 384 HG1 THR 51 HG1 THR 51 1.826 -6.889 4.749 385 HG21 THR 51 HG21 THR 51 3.344 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.058 -4.564 6.293 387 HG23 THR 51 HG23 THR 51 1.815 -4.543 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.041 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.350 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.120 -4.109 -0.743 394 HE1 PHE 52 HE2 PHE 52 6.140 -2.598 -3.146 395 HE2 PHE 52 HE1 PHE 52 2.922 -5.362 -2.703 396 HZ PHE 52 HZ PHE 52 4.934 -4.606 -3.907 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.609 5.228 400 HG1 THR 53 HG1 THR 53 5.337 -1.373 5.808 401 HG21 THR 53 HG21 THR 53 5.301 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.793 1.018 7.333 403 HG23 THR 53 HG23 THR 53 3.834 2.297 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.604 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.271 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.534 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.357 6.138 1.233 412 HG23 VAL 54 HG23 VAL 54 2.728 6.716 2.776 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.486 6.408 416 HG1 THR 55 HG1 THR 55 4.821 4.766 7.960 417 HG21 THR 55 HG21 THR 55 4.970 6.790 8.989 418 HG22 THR 55 HG22 THR 55 5.626 8.148 8.076 419 HG23 THR 55 HG23 THR 55 6.706 6.907 8.707 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.431 10.213 5.203 423 HB3 GLU 56 HB3 GLU 56 1.534 10.678 6.912 424 HG2 GLU 56 HG2 GLU 56 2.636 12.856 5.877 425 HG3 GLU 56 HG3 GLU 56 1.694 12.351 4.454 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.669 -3.956 6 HB3 MET 1 HB3 MET 1 0.868 -13.558 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.654 -4.040 8 HG3 MET 1 HG3 MET 1 1.659 -14.494 -5.144 9 HE1 MET 1 HE1 MET 1 3.247 -16.828 -1.768 10 HE2 MET 1 HE2 MET 1 1.558 -16.456 -2.114 11 HE3 MET 1 HE3 MET 1 2.472 -15.448 -0.992 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.142 -12.578 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.570 0.726 16 HG2 GLN 2 HG2 GLN 2 -3.210 -10.057 1.017 17 HG3 GLN 2 HG3 GLN 2 -4.807 -10.438 0.333 18 HE21 GLN 2 HE21 GLN 2 -2.739 -10.568 3.079 19 HE22 GLN 2 HE22 GLN 2 -3.906 -11.356 4.197 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.905 -2.052 23 HB3 TYR 3 HB3 TYR 3 0.578 -6.527 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.770 -9.203 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.327 -1.623 26 HE1 TYR 3 HE1 TYR 3 0.663 -10.561 -4.731 27 HE2 TYR 3 HE2 TYR 3 4.120 -8.681 -3.087 28 HH TYR 3 HH TYR 3 3.959 -9.912 -5.205 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.652 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.261 4.206 33 HG2 LYS 4 HG2 LYS 4 -1.556 -4.301 4.885 34 HG3 LYS 4 HG3 LYS 4 -2.976 -5.376 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.485 -5.889 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.929 -5.048 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.992 6.797 38 HE3 LYS 4 HE3 LYS 4 -1.983 -7.826 5.925 39 HZ1 LYS 4 HZ1 LYS 4 -0.893 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.276 8.446 41 HZ3 LYS 4 HZ3 LYS 4 -1.475 -6.946 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.418 -1.402 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.152 1.689 46 HG LEU 5 HG LEU 5 -1.170 0.730 2.707 47 HD11 LEU 5 HD11 LEU 5 0.674 0.360 1.240 48 HD12 LEU 5 HD12 LEU 5 -0.097 1.868 0.750 49 HD13 LEU 5 HD13 LEU 5 -0.368 0.397 -0.183 50 HD21 LEU 5 HD21 LEU 5 -2.460 2.325 1.506 51 HD22 LEU 5 HD22 LEU 5 -3.503 0.928 1.777 52 HD23 LEU 5 HD23 LEU 5 -2.774 1.190 0.194 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.393 6.828 56 HG11 VAL 6 HG11 VAL 6 0.916 0.134 9.080 57 HG12 VAL 6 HG12 VAL 6 -0.815 -0.178 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.117 1.250 8.186 59 HG21 VAL 6 HG21 VAL 6 -0.885 -2.362 7.370 60 HG22 VAL 6 HG22 VAL 6 0.535 -2.304 8.416 61 HG23 VAL 6 HG23 VAL 6 0.722 -2.627 6.691 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.982 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.131 3.930 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.913 2.521 3.981 67 HG21 ILE 7 HG21 ILE 7 -3.201 6.096 4.425 68 HG22 ILE 7 HG22 ILE 7 -1.529 5.985 4.976 69 HG23 ILE 7 HG23 ILE 7 -2.834 6.166 6.148 70 HD11 ILE 7 HD11 ILE 7 -4.341 3.569 2.310 71 HD12 ILE 7 HD12 ILE 7 -4.283 5.093 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.057 3.681 3.918 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 2.359 5.135 8.551 76 HB3 ASN 8 HB3 ASN 8 1.860 5.609 10.190 77 HD21 ASN 8 HD21 ASN 8 2.497 3.966 11.417 78 HD22 ASN 8 HD22 ASN 8 2.010 2.256 11.153 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.706 13.834 8.499 85 HB3 LYS 10 HB3 LYS 10 -1.452 14.383 10.168 86 HG2 LYS 10 HG2 LYS 10 0.727 12.860 8.783 87 HG3 LYS 10 HG3 LYS 10 0.458 14.574 8.382 88 HD2 LYS 10 HD2 LYS 10 0.552 15.028 10.887 89 HD3 LYS 10 HD3 LYS 10 1.149 13.360 11.066 90 HE2 LYS 10 HE2 LYS 10 2.985 13.860 9.524 91 HE3 LYS 10 HE3 LYS 10 2.391 15.516 9.347 92 HZ1 LYS 10 HZ1 LYS 10 2.952 15.315 11.983 93 HZ2 LYS 10 HZ2 LYS 10 3.909 16.000 10.814 94 HZ3 LYS 10 HZ3 LYS 10 4.159 14.425 11.268 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.200 8.941 98 HG1 THR 11 HG1 THR 11 -6.363 13.486 6.976 99 HG21 THR 11 HG21 THR 11 -4.534 14.723 9.647 100 HG22 THR 11 HG22 THR 11 -6.111 14.774 10.435 101 HG23 THR 11 HG23 THR 11 -5.910 15.452 8.820 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.906 9.383 6.326 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.720 6.071 106 HG LEU 12 HG LEU 12 -6.174 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.045 7.038 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.565 6.053 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.874 7.789 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.709 8.003 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.357 6.275 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.045 7.445 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.480 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.898 4.601 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.960 6.936 10.835 118 HG3 LYS 13 HG3 LYS 13 -4.378 7.557 11.715 119 HD2 LYS 13 HD2 LYS 13 -3.694 6.435 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.593 12.874 121 HE2 LYS 13 HE2 LYS 13 -2.557 8.608 13.065 122 HE3 LYS 13 HE3 LYS 13 -1.717 7.613 14.277 123 HZ1 LYS 13 HZ1 LYS 13 -0.249 6.822 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.246 8.480 12.534 125 HZ3 LYS 13 HZ3 LYS 13 -1.080 7.622 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -3.940 -2.190 7.972 132 HB3 GLU 15 HB3 GLU 15 -5.682 -2.518 8.063 133 HG2 GLU 15 HG2 GLU 15 -5.446 -3.858 5.950 134 HG3 GLU 15 HG3 GLU 15 -3.685 -3.663 6.105 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.279 -0.836 2.610 138 HG1 THR 16 HG1 THR 16 -8.572 -2.132 1.501 139 HG21 THR 16 HG21 THR 16 -4.801 -0.844 1.983 140 HG22 THR 16 HG22 THR 16 -5.944 -0.173 0.820 141 HG23 THR 16 HG23 THR 16 -5.288 -1.792 0.579 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.468 -7.856 1.228 145 HG1 THR 17 HG1 THR 17 -7.876 -6.499 1.900 146 HG21 THR 17 HG21 THR 17 -5.535 -8.089 3.489 147 HG22 THR 17 HG22 THR 17 -6.535 -6.655 3.727 148 HG23 THR 17 HG23 THR 17 -4.814 -6.483 3.383 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.090 -4.536 -3.123 152 HG1 THR 18 HG1 THR 18 -6.413 -5.114 -4.769 153 HG21 THR 18 HG21 THR 18 -3.252 -6.151 -4.758 154 HG22 THR 18 HG22 THR 18 -2.961 -6.185 -3.019 155 HG23 THR 18 HG23 THR 18 -2.981 -4.647 -3.881 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.755 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.461 160 HG2 LYS 19 HG2 LYS 19 -6.683 -10.379 -3.002 161 HG3 LYS 19 HG3 LYS 19 -7.955 -11.015 -4.074 162 HD2 LYS 19 HD2 LYS 19 -5.513 -12.596 -3.218 163 HD3 LYS 19 HD3 LYS 19 -7.077 -12.647 -2.368 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.146 -5.328 165 HE3 LYS 19 HE3 LYS 19 -6.488 -14.436 -4.204 166 HZ1 LYS 19 HZ1 LYS 19 -8.740 -13.812 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.710 -14.828 -4.400 168 HZ3 LYS 19 HZ3 LYS 19 -9.123 -13.233 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.970 -12.793 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.470 -13.263 -10.589 178 HG12 VAL 21 HG12 VAL 21 -1.066 -12.865 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.817 -11.653 -11.222 180 HG21 VAL 21 HG21 VAL 21 -0.153 -10.033 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.871 -10.998 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.534 -10.323 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.604 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.325 -10.821 -9.944 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.726 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.696 -3.947 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.650 -3.788 -9.016 197 HG3 GLU 24 HG3 GLU 24 7.755 -5.559 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.801 -6.739 -9.911 201 HG1 THR 25 HG1 THR 25 1.900 -7.102 -11.654 202 HG21 THR 25 HG21 THR 25 -0.738 -4.608 -11.356 203 HG22 THR 25 HG22 THR 25 -1.271 -5.689 -10.069 204 HG23 THR 25 HG23 THR 25 -0.988 -6.322 -11.691 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.775 -5.973 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.205 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.569 215 HG3 GLU 27 HG3 GLU 27 4.528 0.426 -5.114 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.026 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.387 0.742 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.448 -0.889 -10.569 222 HD2 LYS 28 HD2 LYS 28 1.656 -1.906 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.410 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.010 0.520 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.751 -12.825 226 HZ1 LYS 28 HZ1 LYS 28 3.024 -2.350 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.170 -15.181 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.134 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.017 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.683 0.818 -2.281 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.438 -2.033 239 HD2 PHE 30 HD2 PHE 30 0.466 -2.173 -3.128 240 HE1 PHE 30 HE1 PHE 30 -4.038 -2.620 -1.199 241 HE2 PHE 30 HE2 PHE 30 -0.303 -4.356 -2.299 242 HZ PHE 30 HZ PHE 30 -2.557 -4.582 -1.330 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.595 3.709 -7.268 246 HB3 LYS 31 HB3 LYS 31 0.734 5.397 -6.739 247 HG2 LYS 31 HG2 LYS 31 2.105 4.274 -4.754 248 HG3 LYS 31 HG3 LYS 31 2.356 3.011 -5.984 249 HD2 LYS 31 HD2 LYS 31 3.122 4.817 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.048 5.956 -6.189 251 HE2 LYS 31 HE2 LYS 31 4.849 5.004 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.578 3.406 -5.853 253 HZ1 LYS 31 HZ1 LYS 31 5.559 5.763 -7.348 254 HZ2 LYS 31 HZ2 LYS 31 5.466 4.201 -7.897 255 HZ3 LYS 31 HZ3 LYS 31 6.549 4.596 -6.705 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.057 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.450 4.436 -7.689 261 HG3 GLN 32 HG3 GLN 32 -5.729 5.470 -8.944 262 HE21 GLN 32 HE21 GLN 32 -8.279 4.174 -9.038 263 HE22 GLN 32 HE22 GLN 32 -8.222 3.026 -10.421 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.028 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.535 -2.832 268 HD1 TYR 33 HD2 TYR 33 -5.150 3.825 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.560 -2.751 270 HE1 TYR 33 HE2 TYR 33 -6.526 3.781 1.343 271 HE2 TYR 33 HE1 TYR 33 -9.490 1.510 -0.718 272 HH TYR 33 HH TYR 33 -8.640 1.845 2.097 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.855 8.279 -6.317 281 HB3 ASN 35 HB3 ASN 35 -3.908 10.054 -6.374 282 HD21 ASN 35 HD21 ASN 35 -2.160 8.875 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.056 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.268 6.766 -4.430 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.837 -4.703 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.042 291 HB3 ASN 37 HB3 ASN 37 -7.758 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.931 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.600 5.608 -1.062 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.632 8.237 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.340 8.886 3.693 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.079 2.236 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.515 2.613 303 HG21 VAL 39 HG21 VAL 39 -3.981 7.945 3.012 304 HG22 VAL 39 HG22 VAL 39 -4.523 9.464 2.296 305 HG23 VAL 39 HG23 VAL 39 -3.470 9.481 3.710 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.551 -1.145 309 HB3 ASP 40 HB3 ASP 40 1.085 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.225 7.699 3.441 316 HG11 VAL 42 HG11 VAL 42 9.237 5.748 2.245 317 HG12 VAL 42 HG12 VAL 42 10.399 6.800 3.054 318 HG13 VAL 42 HG13 VAL 42 10.196 6.891 1.305 319 HG21 VAL 42 HG21 VAL 42 10.227 9.174 2.566 320 HG22 VAL 42 HG22 VAL 42 8.636 9.873 2.869 321 HG23 VAL 42 HG23 VAL 42 9.126 9.474 1.224 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.577 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.934 6.244 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.417 6.586 -2.447 328 HE3 TRP 43 HE3 TRP 43 4.307 1.509 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.078 4.992 -2.408 330 HZ3 TRP 43 HZ3 TRP 43 1.918 0.997 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.337 2.703 -1.902 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.666 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.537 1.701 3.896 336 HG21 THR 44 HG21 THR 44 10.944 1.889 2.838 337 HG22 THR 44 HG22 THR 44 10.578 1.794 4.561 338 HG23 THR 44 HG23 THR 44 9.644 2.869 3.519 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.673 -2.549 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.129 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.136 -4.589 0.443 344 HD2 TYR 45 HD2 TYR 45 9.499 -5.034 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.393 -6.862 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.765 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.345 -9.110 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.867 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.470 -6.218 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.012 -9.868 -0.943 355 HB3 ASP 47 HB3 ASP 47 11.002 -8.626 -0.144 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.514 6.396 364 HG1 THR 49 HG1 THR 49 6.496 -8.116 5.542 365 HG21 THR 49 HG21 THR 49 5.381 -9.971 8.185 366 HG22 THR 49 HG22 THR 49 6.772 -9.114 7.524 367 HG23 THR 49 HG23 THR 49 6.531 -10.821 7.151 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.679 -10.526 1.637 371 HB3 LYS 50 HB3 LYS 50 2.794 -9.749 0.046 372 HG2 LYS 50 HG2 LYS 50 4.885 -11.692 1.018 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.234 0.215 374 HD2 LYS 50 HD2 LYS 50 3.998 -10.611 -1.662 375 HD3 LYS 50 HD3 LYS 50 5.602 -10.493 -0.895 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.622 -1.477 377 HE3 LYS 50 HE3 LYS 50 4.516 -13.227 -1.386 378 HZ1 LYS 50 HZ1 LYS 50 4.052 -12.213 -3.482 379 HZ2 LYS 50 HZ2 LYS 50 5.422 -13.133 -3.659 380 HZ3 LYS 50 HZ3 LYS 50 5.542 -11.482 -3.546 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.928 4.985 384 HG1 THR 51 HG1 THR 51 1.824 -6.887 4.749 385 HG21 THR 51 HG21 THR 51 3.348 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.060 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.817 -4.541 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.041 0.449 391 HB3 PHE 52 HB3 PHE 52 3.374 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.350 -1.185 393 HD2 PHE 52 HD1 PHE 52 2.120 -4.109 -0.742 394 HE1 PHE 52 HE2 PHE 52 6.139 -2.599 -3.146 395 HE2 PHE 52 HE1 PHE 52 2.921 -5.362 -2.702 396 HZ PHE 52 HZ PHE 52 4.933 -4.607 -3.907 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.781 0.611 5.229 400 HG1 THR 53 HG1 THR 53 5.340 -1.373 5.806 401 HG21 THR 53 HG21 THR 53 5.298 1.872 7.004 402 HG22 THR 53 HG22 THR 53 3.792 1.014 7.333 403 HG23 THR 53 HG23 THR 53 3.831 2.294 6.121 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 1.387 5.050 2.871 407 HG11 VAL 54 HG11 VAL 54 2.012 6.236 0.906 408 HG12 VAL 54 HG12 VAL 54 3.560 5.397 0.804 409 HG13 VAL 54 HG13 VAL 54 3.265 6.547 2.108 410 HG21 VAL 54 HG21 VAL 54 1.340 3.848 0.601 411 HG22 VAL 54 HG22 VAL 54 1.154 2.867 2.054 412 HG23 VAL 54 HG23 VAL 54 2.703 2.911 1.212 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.469 6.491 6.410 416 HG1 THR 55 HG1 THR 55 4.825 4.760 7.952 417 HG21 THR 55 HG21 THR 55 4.966 6.779 8.990 418 HG22 THR 55 HG22 THR 55 5.619 8.144 8.084 419 HG23 THR 55 HG23 THR 55 6.702 6.903 8.712 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.431 10.213 5.204 423 HB3 GLU 56 HB3 GLU 56 1.534 10.679 6.912 424 HG2 GLU 56 HG2 GLU 56 2.443 12.900 6.135 425 HG3 GLU 56 HG3 GLU 56 2.016 12.400 4.482 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.670 -3.957 6 HB3 MET 1 HB3 MET 1 0.868 -13.556 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.655 -4.037 8 HG3 MET 1 HG3 MET 1 1.659 -14.496 -5.143 9 HE1 MET 1 HE1 MET 1 3.246 -16.826 -1.763 10 HE2 MET 1 HE2 MET 1 1.557 -16.454 -2.109 11 HE3 MET 1 HE3 MET 1 2.471 -15.444 -0.989 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.951 -12.923 0.406 15 HB3 GLN 2 HB3 GLN 2 -3.273 -11.242 0.877 16 HG2 GLN 2 HG2 GLN 2 -5.291 -11.170 -0.269 17 HG3 GLN 2 HG3 GLN 2 -4.863 -12.544 -1.315 18 HE21 GLN 2 HE21 GLN 2 -7.292 -12.266 0.098 19 HE22 GLN 2 HE22 GLN 2 -7.362 -13.587 1.315 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.904 -2.051 23 HB3 TYR 3 HB3 TYR 3 0.579 -6.528 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.772 -9.201 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.329 -1.625 26 HE1 TYR 3 HE1 TYR 3 0.659 -10.560 -4.733 27 HE2 TYR 3 HE2 TYR 3 4.118 -8.683 -3.090 28 HH TYR 3 HH TYR 3 3.955 -9.914 -5.208 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.166 -6.410 4.153 32 HB3 LYS 4 HB3 LYS 4 -1.560 -5.434 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.047 -7.311 3.937 34 HG3 LYS 4 HG3 LYS 4 -1.586 -8.286 3.644 35 HD2 LYS 4 HD2 LYS 4 -2.253 -6.986 6.301 36 HD3 LYS 4 HD3 LYS 4 -2.680 -8.663 5.879 37 HE2 LYS 4 HE2 LYS 4 -0.373 -9.267 5.647 38 HE3 LYS 4 HE3 LYS 4 0.143 -7.570 5.791 39 HZ1 LYS 4 HZ1 LYS 4 -0.182 -7.593 8.029 40 HZ2 LYS 4 HZ2 LYS 4 0.209 -9.191 7.825 41 HZ3 LYS 4 HZ3 LYS 4 -1.378 -8.744 7.991 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.417 -1.402 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.153 1.688 46 HG LEU 5 HG LEU 5 -1.558 0.812 2.704 47 HD11 LEU 5 HD11 LEU 5 0.683 0.321 2.053 48 HD12 LEU 5 HD12 LEU 5 0.195 1.786 1.202 49 HD13 LEU 5 HD13 LEU 5 0.240 0.244 0.348 50 HD21 LEU 5 HD21 LEU 5 -2.265 2.307 0.996 51 HD22 LEU 5 HD22 LEU 5 -3.378 0.939 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.110 1.070 -0.251 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.388 6.831 56 HG11 VAL 6 HG11 VAL 6 0.911 0.130 9.083 57 HG12 VAL 6 HG12 VAL 6 -0.819 -0.189 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.126 1.244 8.192 59 HG21 VAL 6 HG21 VAL 6 -0.878 -2.368 7.362 60 HG22 VAL 6 HG22 VAL 6 0.540 -2.308 8.410 61 HG23 VAL 6 HG23 VAL 6 0.731 -2.623 6.685 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.983 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.132 3.927 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.915 2.520 3.982 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.096 4.423 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.984 4.973 69 HG23 ILE 7 HG23 ILE 7 -2.833 6.167 6.145 70 HD11 ILE 7 HD11 ILE 7 -4.343 3.567 2.312 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.091 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.058 3.681 3.920 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.548 3.939 9.332 76 HB3 ASN 8 HB3 ASN 8 2.396 5.348 8.658 77 HD21 ASN 8 HD21 ASN 8 3.384 4.201 10.883 78 HD22 ASN 8 HD22 ASN 8 3.080 5.259 12.306 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.156 13.601 8.997 85 HB3 LYS 10 HB3 LYS 10 -1.864 13.926 8.639 86 HG2 LYS 10 HG2 LYS 10 -2.180 15.151 10.543 87 HG3 LYS 10 HG3 LYS 10 -0.942 14.257 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.022 16.402 11.119 89 HD3 LYS 10 HD3 LYS 10 0.766 15.364 9.906 90 HE2 LYS 10 HE2 LYS 10 -0.621 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.693 17.030 9.318 92 HZ1 LYS 10 HZ1 LYS 10 1.059 17.757 8.550 93 HZ2 LYS 10 HZ2 LYS 10 0.361 18.345 9.935 94 HZ3 LYS 10 HZ3 LYS 10 -0.318 18.682 8.460 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.201 8.943 98 HG1 THR 11 HG1 THR 11 -6.366 13.485 6.977 99 HG21 THR 11 HG21 THR 11 -4.531 14.723 9.643 100 HG22 THR 11 HG22 THR 11 -6.107 14.776 10.434 101 HG23 THR 11 HG23 THR 11 -5.908 15.452 8.818 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.906 9.383 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.720 6.071 106 HG LEU 12 HG LEU 12 -6.174 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.045 7.038 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.565 6.053 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.874 7.789 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.709 8.003 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.358 6.275 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.045 7.445 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.478 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.897 4.602 11.499 117 HG2 LYS 13 HG2 LYS 13 -2.962 6.938 10.835 118 HG3 LYS 13 HG3 LYS 13 -4.382 7.557 11.715 119 HD2 LYS 13 HD2 LYS 13 -3.695 6.435 13.734 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.596 12.874 121 HE2 LYS 13 HE2 LYS 13 -2.562 8.610 13.066 122 HE3 LYS 13 HE3 LYS 13 -1.720 7.616 14.277 123 HZ1 LYS 13 HZ1 LYS 13 -0.251 6.829 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.251 8.486 12.535 125 HZ3 LYS 13 HZ3 LYS 13 -1.084 7.627 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -4.736 -3.304 6.787 132 HB3 GLU 15 HB3 GLU 15 -3.899 -2.221 7.917 133 HG2 GLU 15 HG2 GLU 15 -6.141 -1.687 8.920 134 HG3 GLU 15 HG3 GLU 15 -6.826 -2.976 7.903 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -6.985 -2.183 1.175 138 HG1 THR 16 HG1 THR 16 -5.179 -1.035 1.150 139 HG21 THR 16 HG21 THR 16 -8.738 -1.564 2.929 140 HG22 THR 16 HG22 THR 16 -8.435 -0.415 1.626 141 HG23 THR 16 HG23 THR 16 -7.753 -0.132 3.227 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.923 -6.913 2.780 145 HG1 THR 17 HG1 THR 17 -5.172 -8.180 0.346 146 HG21 THR 17 HG21 THR 17 -7.833 -7.999 2.196 147 HG22 THR 17 HG22 THR 17 -7.436 -8.025 0.477 148 HG23 THR 17 HG23 THR 17 -8.021 -6.540 1.224 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.097 -4.535 -3.126 152 HG1 THR 18 HG1 THR 18 -6.409 -5.123 -4.777 153 HG21 THR 18 HG21 THR 18 -3.244 -6.147 -4.749 154 HG22 THR 18 HG22 THR 18 -2.961 -6.176 -3.007 155 HG23 THR 18 HG23 THR 18 -2.983 -4.639 -3.874 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.755 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.461 160 HG2 LYS 19 HG2 LYS 19 -6.684 -10.378 -3.002 161 HG3 LYS 19 HG3 LYS 19 -7.955 -11.015 -4.074 162 HD2 LYS 19 HD2 LYS 19 -5.514 -12.596 -3.218 163 HD3 LYS 19 HD3 LYS 19 -7.078 -12.647 -2.367 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.147 -5.327 165 HE3 LYS 19 HE3 LYS 19 -6.489 -14.436 -4.203 166 HZ1 LYS 19 HZ1 LYS 19 -8.741 -13.811 -3.088 167 HZ2 LYS 19 HZ2 LYS 19 -8.711 -14.827 -4.399 168 HZ3 LYS 19 HZ3 LYS 19 -9.123 -13.233 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.971 -12.792 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.469 -13.264 -10.589 178 HG12 VAL 21 HG12 VAL 21 -1.065 -12.867 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.818 -11.655 -11.222 180 HG21 VAL 21 HG21 VAL 21 -0.155 -10.033 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.869 -10.997 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.533 -10.322 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.602 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.327 -10.821 -9.943 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.725 -5.694 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.697 -3.946 -10.649 196 HG2 GLU 24 HG2 GLU 24 7.651 -3.791 -9.015 197 HG3 GLU 24 HG3 GLU 24 7.754 -5.562 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.799 -6.738 -9.910 201 HG1 THR 25 HG1 THR 25 1.901 -7.104 -11.650 202 HG21 THR 25 HG21 THR 25 -0.734 -4.607 -11.361 203 HG22 THR 25 HG22 THR 25 -1.272 -5.686 -10.074 204 HG23 THR 25 HG23 THR 25 -0.986 -6.321 -11.694 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.774 -5.971 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.206 -7.609 214 HG2 GLU 27 HG2 GLU 27 3.761 1.104 -6.571 215 HG3 GLU 27 HG3 GLU 27 4.528 0.428 -5.116 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.041 -0.941 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.028 0.741 -11.194 220 HG2 LYS 28 HG2 LYS 28 2.385 0.744 -11.285 221 HG3 LYS 28 HG3 LYS 28 2.449 -0.886 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.658 -1.904 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.008 0.524 -13.703 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.745 -12.826 226 HZ1 LYS 28 HZ1 LYS 28 3.026 -2.346 -14.431 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.165 -15.183 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.131 -15.265 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.062 0.018 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.683 0.817 -2.281 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.440 -2.034 239 HD2 PHE 30 HD2 PHE 30 0.468 -2.172 -3.129 240 HE1 PHE 30 HE1 PHE 30 -4.038 -2.623 -1.202 241 HE2 PHE 30 HE2 PHE 30 -0.300 -4.356 -2.301 242 HZ PHE 30 HZ PHE 30 -2.555 -4.584 -1.334 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.594 3.711 -7.270 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.737 247 HG2 LYS 31 HG2 LYS 31 2.105 4.267 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.354 3.007 -5.988 249 HD2 LYS 31 HD2 LYS 31 3.123 4.815 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.051 5.951 -6.186 251 HE2 LYS 31 HE2 LYS 31 4.851 4.993 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.576 3.397 -5.857 253 HZ1 LYS 31 HZ1 LYS 31 5.562 5.756 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.195 -7.899 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.585 -6.707 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.506 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.501 4.235 -7.757 261 HG3 GLN 32 HG3 GLN 32 -5.768 5.526 -8.737 262 HE21 GLN 32 HE21 GLN 32 -6.129 5.526 -10.837 263 HE22 GLN 32 HE22 GLN 32 -6.745 4.123 -11.779 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.024 1.919 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.537 -2.829 268 HD1 TYR 33 HD2 TYR 33 -5.160 3.826 -0.694 269 HD2 TYR 33 HD1 TYR 33 -8.106 1.555 -2.759 270 HE1 TYR 33 HE2 TYR 33 -6.542 3.778 1.340 271 HE2 TYR 33 HE1 TYR 33 -9.496 1.503 -0.731 272 HH TYR 33 HH TYR 33 -8.656 1.838 2.087 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.432 8.931 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.068 8.441 -6.386 282 HD21 ASN 35 HD21 ASN 35 -2.938 9.740 -8.257 283 HD22 ASN 35 HD22 ASN 35 -3.429 11.468 -8.323 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.433 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.700 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.851 7.530 0.044 291 HB3 ASN 37 HB3 ASN 37 -7.761 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.923 6.183 -1.402 293 HD22 ASN 37 HD22 ASN 37 -9.592 5.604 -1.067 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.628 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.346 8.889 3.697 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.083 2.243 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.518 2.618 303 HG21 VAL 39 HG21 VAL 39 -3.983 7.943 3.008 304 HG22 VAL 39 HG22 VAL 39 -4.525 9.461 2.289 305 HG23 VAL 39 HG23 VAL 39 -3.477 9.480 3.706 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.264 12.993 -0.256 309 HB3 ASP 40 HB3 ASP 40 2.019 13.115 -0.004 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.701 3.441 316 HG11 VAL 42 HG11 VAL 42 9.234 5.747 2.248 317 HG12 VAL 42 HG12 VAL 42 10.397 6.799 3.056 318 HG13 VAL 42 HG13 VAL 42 10.195 6.887 1.307 319 HG21 VAL 42 HG21 VAL 42 10.228 9.172 2.564 320 HG22 VAL 42 HG22 VAL 42 8.639 9.874 2.865 321 HG23 VAL 42 HG23 VAL 42 9.129 9.471 1.222 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.982 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.937 6.244 -1.917 327 HE1 TRP 43 HE1 TRP 43 3.420 6.589 -2.449 328 HE3 TRP 43 HE3 TRP 43 4.305 1.512 -0.886 329 HZ2 TRP 43 HZ2 TRP 43 1.080 4.997 -2.410 330 HZ3 TRP 43 HZ3 TRP 43 1.915 1.002 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.336 2.710 -1.903 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.667 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.536 1.700 3.896 336 HG21 THR 44 HG21 THR 44 10.943 1.890 2.838 337 HG22 THR 44 HG22 THR 44 10.577 1.794 4.561 338 HG23 THR 44 HG23 THR 44 9.643 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.672 -2.550 -0.961 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.127 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.139 -4.593 0.444 344 HD2 TYR 45 HD2 TYR 45 9.501 -5.032 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.400 -6.867 -0.128 346 HE2 TYR 45 HE2 TYR 45 8.772 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.356 -9.112 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.864 -5.219 5.111 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.221 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.704 -8.632 -0.545 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.849 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.394 364 HG1 THR 49 HG1 THR 49 6.498 -8.118 5.544 365 HG21 THR 49 HG21 THR 49 5.377 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.117 7.526 367 HG23 THR 49 HG23 THR 49 6.527 -10.823 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.679 -10.526 1.637 371 HB3 LYS 50 HB3 LYS 50 2.794 -9.749 0.046 372 HG2 LYS 50 HG2 LYS 50 4.885 -11.692 1.017 373 HG3 LYS 50 HG3 LYS 50 3.391 -12.234 0.214 374 HD2 LYS 50 HD2 LYS 50 3.998 -10.610 -1.662 375 HD3 LYS 50 HD3 LYS 50 5.601 -10.492 -0.895 376 HE2 LYS 50 HE2 LYS 50 6.187 -12.621 -1.478 377 HE3 LYS 50 HE3 LYS 50 4.516 -13.226 -1.387 378 HZ1 LYS 50 HZ1 LYS 50 4.051 -12.212 -3.483 379 HZ2 LYS 50 HZ2 LYS 50 5.421 -13.131 -3.661 380 HZ3 LYS 50 HZ3 LYS 50 5.541 -11.481 -3.547 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.929 4.985 384 HG1 THR 51 HG1 THR 51 1.823 -6.885 4.749 385 HG21 THR 51 HG21 THR 51 3.350 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.061 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.819 -4.539 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.045 0.448 391 HB3 PHE 52 HB3 PHE 52 3.370 -0.820 0.193 392 HD1 PHE 52 HD2 PHE 52 5.331 -1.339 -1.181 393 HD2 PHE 52 HD1 PHE 52 2.130 -4.111 -0.748 394 HE1 PHE 52 HE2 PHE 52 6.146 -2.581 -3.144 395 HE2 PHE 52 HE1 PHE 52 2.938 -5.357 -2.710 396 HZ PHE 52 HZ PHE 52 4.949 -4.592 -3.910 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.609 5.228 400 HG1 THR 53 HG1 THR 53 5.337 -1.373 5.809 401 HG21 THR 53 HG21 THR 53 5.301 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.793 1.019 7.333 403 HG23 THR 53 HG23 THR 53 3.835 2.297 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.367 4.027 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.605 2.081 408 HG12 VAL 54 HG12 VAL 54 0.662 5.273 3.628 409 HG13 VAL 54 HG13 VAL 54 0.753 3.536 3.343 410 HG21 VAL 54 HG21 VAL 54 1.640 6.490 1.407 411 HG22 VAL 54 HG22 VAL 54 3.358 6.137 1.232 412 HG23 VAL 54 HG23 VAL 54 2.730 6.716 2.774 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.490 6.409 416 HG1 THR 55 HG1 THR 55 4.824 4.760 7.953 417 HG21 THR 55 HG21 THR 55 4.966 6.780 8.990 418 HG22 THR 55 HG22 THR 55 5.620 8.144 8.083 419 HG23 THR 55 HG23 THR 55 6.702 6.903 8.711 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.432 10.215 5.201 423 HB3 GLU 56 HB3 GLU 56 1.533 10.675 6.911 424 HG2 GLU 56 HG2 GLU 56 2.636 12.856 5.883 425 HG3 GLU 56 HG3 GLU 56 1.696 12.355 4.459 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.669 -3.955 6 HB3 MET 1 HB3 MET 1 0.868 -13.559 -2.422 7 HG2 MET 1 HG2 MET 1 0.985 -15.680 -3.861 8 HG3 MET 1 HG3 MET 1 1.484 -14.599 -5.182 9 HE1 MET 1 HE1 MET 1 3.840 -16.615 -2.148 10 HE2 MET 1 HE2 MET 1 2.083 -16.493 -2.247 11 HE3 MET 1 HE3 MET 1 2.986 -15.399 -1.199 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.142 -12.577 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.571 0.726 16 HG2 GLN 2 HG2 GLN 2 -3.206 -10.060 1.022 17 HG3 GLN 2 HG3 GLN 2 -4.804 -10.435 0.333 18 HE21 GLN 2 HE21 GLN 2 -4.065 -9.469 3.000 19 HE22 GLN 2 HE22 GLN 2 -4.712 -10.693 4.147 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.905 -2.052 23 HB3 TYR 3 HB3 TYR 3 0.578 -6.527 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.769 -9.203 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.326 -1.622 26 HE1 TYR 3 HE1 TYR 3 0.665 -10.561 -4.730 27 HE2 TYR 3 HE2 TYR 3 4.121 -8.680 -3.086 28 HH TYR 3 HH TYR 3 3.961 -9.912 -5.203 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.652 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.261 4.206 33 HG2 LYS 4 HG2 LYS 4 -1.556 -4.301 4.885 34 HG3 LYS 4 HG3 LYS 4 -2.976 -5.376 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.485 -5.889 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.929 -5.047 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.992 6.797 38 HE3 LYS 4 HE3 LYS 4 -1.983 -7.826 5.925 39 HZ1 LYS 4 HZ1 LYS 4 -0.893 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.276 8.446 41 HZ3 LYS 4 HZ3 LYS 4 -1.475 -6.946 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.419 -1.403 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.151 1.690 46 HG LEU 5 HG LEU 5 -1.554 0.813 2.702 47 HD11 LEU 5 HD11 LEU 5 0.686 0.318 2.048 48 HD12 LEU 5 HD12 LEU 5 0.199 1.782 1.197 49 HD13 LEU 5 HD13 LEU 5 0.240 0.240 0.344 50 HD21 LEU 5 HD21 LEU 5 -2.260 2.307 0.993 51 HD22 LEU 5 HD22 LEU 5 -3.375 0.941 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.068 -0.253 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.388 6.831 56 HG11 VAL 6 HG11 VAL 6 0.910 0.129 9.084 57 HG12 VAL 6 HG12 VAL 6 -0.820 -0.190 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.127 1.244 8.192 59 HG21 VAL 6 HG21 VAL 6 -0.877 -2.368 7.361 60 HG22 VAL 6 HG22 VAL 6 0.541 -2.308 8.409 61 HG23 VAL 6 HG23 VAL 6 0.732 -2.623 6.684 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.985 5.931 65 HG12 ILE 7 HG12 ILE 7 -2.134 3.924 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.917 2.518 3.985 67 HG21 ILE 7 HG21 ILE 7 -3.199 6.095 4.421 68 HG22 ILE 7 HG22 ILE 7 -1.527 5.983 4.970 69 HG23 ILE 7 HG23 ILE 7 -2.831 6.168 6.143 70 HD11 ILE 7 HD11 ILE 7 -4.345 3.564 2.313 71 HD12 ILE 7 HD12 ILE 7 -4.285 5.090 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.059 3.681 3.922 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 2.360 5.138 8.552 76 HB3 ASN 8 HB3 ASN 8 1.859 5.608 10.192 77 HD21 ASN 8 HD21 ASN 8 2.496 3.963 11.415 78 HD22 ASN 8 HD22 ASN 8 2.011 2.252 11.147 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.706 13.833 8.499 85 HB3 LYS 10 HB3 LYS 10 -1.453 14.383 10.168 86 HG2 LYS 10 HG2 LYS 10 0.727 12.860 8.786 87 HG3 LYS 10 HG3 LYS 10 0.458 14.572 8.381 88 HD2 LYS 10 HD2 LYS 10 1.073 13.396 11.108 89 HD3 LYS 10 HD3 LYS 10 2.118 14.446 10.119 90 HE2 LYS 10 HE2 LYS 10 0.412 16.224 10.269 91 HE3 LYS 10 HE3 LYS 10 -0.566 15.178 11.307 92 HZ1 LYS 10 HZ1 LYS 10 1.575 15.390 12.797 93 HZ2 LYS 10 HZ2 LYS 10 0.333 16.489 12.831 94 HZ3 LYS 10 HZ3 LYS 10 1.710 16.824 11.970 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.471 13.463 7.913 98 HG1 THR 11 HG1 THR 11 -5.511 15.223 9.048 99 HG21 THR 11 HG21 THR 11 -7.895 12.759 9.552 100 HG22 THR 11 HG22 THR 11 -7.569 12.388 7.859 101 HG23 THR 11 HG23 THR 11 -7.880 14.052 8.354 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.907 9.383 6.326 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.721 6.071 106 HG LEU 12 HG LEU 12 -6.172 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.044 7.036 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.563 6.051 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.873 7.787 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.709 8.003 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.356 6.275 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.045 7.445 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -3.873 4.613 11.492 116 HB3 LYS 13 HB3 LYS 13 -3.905 6.385 11.412 117 HG2 LYS 13 HG2 LYS 13 -6.484 6.096 11.617 118 HG3 LYS 13 HG3 LYS 13 -6.072 4.473 12.225 119 HD2 LYS 13 HD2 LYS 13 -4.748 5.410 14.006 120 HD3 LYS 13 HD3 LYS 13 -4.924 7.051 13.336 121 HE2 LYS 13 HE2 LYS 13 -7.281 5.372 14.219 122 HE3 LYS 13 HE3 LYS 13 -6.408 6.464 15.320 123 HZ1 LYS 13 HZ1 LYS 13 -6.982 8.299 13.921 124 HZ2 LYS 13 HZ2 LYS 13 -8.374 7.478 14.291 125 HZ3 LYS 13 HZ3 LYS 13 -7.690 7.311 12.790 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.705 -2.556 8.024 132 HB3 GLU 15 HB3 GLU 15 -4.674 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -2.855 -1.670 7.719 134 HG3 GLU 15 HG3 GLU 15 -3.915 -1.613 9.147 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.279 -0.836 2.610 138 HG1 THR 16 HG1 THR 16 -8.572 -2.132 1.501 139 HG21 THR 16 HG21 THR 16 -4.801 -0.844 1.983 140 HG22 THR 16 HG22 THR 16 -5.944 -0.173 0.820 141 HG23 THR 16 HG23 THR 16 -5.288 -1.792 0.579 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.465 -7.856 1.231 145 HG1 THR 17 HG1 THR 17 -7.878 -6.502 1.892 146 HG21 THR 17 HG21 THR 17 -5.539 -8.086 3.492 147 HG22 THR 17 HG22 THR 17 -6.543 -6.654 3.725 148 HG23 THR 17 HG23 THR 17 -4.821 -6.479 3.387 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.095 -4.536 -3.125 152 HG1 THR 18 HG1 THR 18 -6.410 -5.120 -4.775 153 HG21 THR 18 HG21 THR 18 -3.246 -6.148 -4.751 154 HG22 THR 18 HG22 THR 18 -2.961 -6.178 -3.010 155 HG23 THR 18 HG23 THR 18 -2.983 -4.641 -3.876 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.755 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.460 160 HG2 LYS 19 HG2 LYS 19 -6.685 -10.376 -3.003 161 HG3 LYS 19 HG3 LYS 19 -7.956 -11.014 -4.075 162 HD2 LYS 19 HD2 LYS 19 -5.515 -12.595 -3.216 163 HD3 LYS 19 HD3 LYS 19 -7.080 -12.645 -2.367 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.147 -5.326 165 HE3 LYS 19 HE3 LYS 19 -6.490 -14.435 -4.201 166 HZ1 LYS 19 HZ1 LYS 19 -8.742 -13.809 -3.088 167 HZ2 LYS 19 HZ2 LYS 19 -8.712 -14.826 -4.398 168 HZ3 LYS 19 HZ3 LYS 19 -9.124 -13.232 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.215 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.226 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.491 -10.880 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.790 -10.669 -11.434 180 HG21 VAL 21 HG21 VAL 21 2.147 -12.958 -11.079 181 HG22 VAL 21 HG22 VAL 21 0.889 -13.527 -12.177 182 HG23 VAL 21 HG23 VAL 21 0.877 -14.028 -10.485 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.357 -9.607 -9.158 186 HB3 ASP 22 HB3 ASP 22 4.323 -10.820 -9.946 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.725 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.696 -3.947 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.650 -3.788 -9.016 197 HG3 GLU 24 HG3 GLU 24 7.755 -5.560 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.797 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.902 -7.107 -11.646 202 HG21 THR 25 HG21 THR 25 -0.731 -4.607 -11.365 203 HG22 THR 25 HG22 THR 25 -1.273 -5.683 -10.078 204 HG23 THR 25 HG23 THR 25 -0.984 -6.320 -11.697 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.774 -5.972 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.205 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.570 215 HG3 GLU 27 HG3 GLU 27 4.528 0.426 -5.115 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.026 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.387 0.742 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.448 -0.889 -10.569 222 HD2 LYS 28 HD2 LYS 28 1.656 -1.906 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.410 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.010 0.520 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.751 -12.825 226 HZ1 LYS 28 HZ1 LYS 28 3.024 -2.350 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.170 -15.181 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.134 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.062 0.019 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.684 0.817 -2.280 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.441 -2.035 239 HD2 PHE 30 HD2 PHE 30 0.468 -2.171 -3.129 240 HE1 PHE 30 HE1 PHE 30 -4.037 -2.625 -1.204 241 HE2 PHE 30 HE2 PHE 30 -0.299 -4.356 -2.303 242 HZ PHE 30 HZ PHE 30 -2.554 -4.585 -1.336 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.595 3.710 -7.269 246 HB3 LYS 31 HB3 LYS 31 0.735 5.398 -6.738 247 HG2 LYS 31 HG2 LYS 31 2.105 4.271 -4.754 248 HG3 LYS 31 HG3 LYS 31 2.355 3.009 -5.986 249 HD2 LYS 31 HD2 LYS 31 3.122 4.816 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.049 5.954 -6.187 251 HE2 LYS 31 HE2 LYS 31 4.850 4.999 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.577 3.402 -5.855 253 HZ1 LYS 31 HZ1 LYS 31 5.560 5.760 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.198 -7.898 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.590 -6.706 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -4.572 2.951 -7.806 259 HB3 GLN 32 HB3 GLN 32 -5.392 4.399 -8.423 260 HG2 GLN 32 HG2 GLN 32 -2.678 3.337 -9.234 261 HG3 GLN 32 HG3 GLN 32 -4.166 3.369 -10.208 262 HE21 GLN 32 HE21 GLN 32 -5.170 5.693 -10.261 263 HE22 GLN 32 HE22 GLN 32 -3.995 6.979 -10.707 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.026 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.536 -2.830 268 HD1 TYR 33 HD2 TYR 33 -5.157 3.826 -0.695 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.557 -2.756 270 HE1 TYR 33 HE2 TYR 33 -6.536 3.779 1.341 271 HE2 TYR 33 HE1 TYR 33 -9.494 1.505 -0.726 272 HH TYR 33 HH TYR 33 -8.650 1.841 2.091 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.857 8.280 -6.317 281 HB3 ASN 35 HB3 ASN 35 -3.906 10.055 -6.374 282 HD21 ASN 35 HD21 ASN 35 -2.160 8.874 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.052 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.265 6.765 -4.433 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.699 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.855 7.526 0.039 291 HB3 ASN 37 HB3 ASN 37 -7.754 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.940 6.183 -1.400 293 HD22 ASN 37 HD22 ASN 37 -9.609 5.612 -1.056 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.628 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.345 8.889 3.697 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.082 2.242 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.517 2.617 303 HG21 VAL 39 HG21 VAL 39 -3.983 7.943 3.008 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.461 2.290 305 HG23 VAL 39 HG23 VAL 39 -3.476 9.480 3.706 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.551 -1.145 309 HB3 ASP 40 HB3 ASP 40 1.086 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.703 3.441 316 HG11 VAL 42 HG11 VAL 42 9.232 5.746 2.252 317 HG12 VAL 42 HG12 VAL 42 10.396 6.798 3.058 318 HG13 VAL 42 HG13 VAL 42 10.195 6.884 1.309 319 HG21 VAL 42 HG21 VAL 42 10.230 9.170 2.563 320 HG22 VAL 42 HG22 VAL 42 8.641 9.874 2.862 321 HG23 VAL 42 HG23 VAL 42 9.131 9.469 1.219 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.435 3.985 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.579 2.507 -1.209 326 HD1 TRP 43 HD1 TRP 43 5.929 6.243 -1.915 327 HE1 TRP 43 HE1 TRP 43 3.411 6.581 -2.445 328 HE3 TRP 43 HE3 TRP 43 4.311 1.505 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.075 4.982 -2.406 330 HZ3 TRP 43 HZ3 TRP 43 1.922 0.988 -1.158 331 HH2 TRP 43 HH2 TRP 43 0.338 2.692 -1.900 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.667 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.537 1.701 3.896 336 HG21 THR 44 HG21 THR 44 10.944 1.889 2.838 337 HG22 THR 44 HG22 THR 44 10.578 1.794 4.561 338 HG23 THR 44 HG23 THR 44 9.644 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.673 -2.549 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.129 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.136 -4.589 0.443 344 HD2 TYR 45 HD2 TYR 45 9.499 -5.034 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.393 -6.861 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.765 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.345 -9.110 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.869 -5.221 5.113 351 HB3 ASP 46 HB3 ASP 46 7.470 -6.216 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.705 -8.632 -0.544 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.851 0.649 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.395 364 HG1 THR 49 HG1 THR 49 6.498 -8.117 5.543 365 HG21 THR 49 HG21 THR 49 5.378 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.116 7.526 367 HG23 THR 49 HG23 THR 49 6.528 -10.822 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.676 -10.523 1.636 371 HB3 LYS 50 HB3 LYS 50 2.797 -9.750 0.043 372 HG2 LYS 50 HG2 LYS 50 4.883 -11.694 1.025 373 HG3 LYS 50 HG3 LYS 50 3.389 -12.236 0.219 374 HD2 LYS 50 HD2 LYS 50 4.004 -10.617 -1.659 375 HD3 LYS 50 HD3 LYS 50 5.606 -10.500 -0.888 376 HE2 LYS 50 HE2 LYS 50 6.190 -12.631 -1.465 377 HE3 LYS 50 HE3 LYS 50 4.518 -13.233 -1.377 378 HZ1 LYS 50 HZ1 LYS 50 4.060 -12.224 -3.476 379 HZ2 LYS 50 HZ2 LYS 50 5.429 -13.145 -3.648 380 HZ3 LYS 50 HZ3 LYS 50 5.551 -11.494 -3.538 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.926 4.985 384 HG1 THR 51 HG1 THR 51 1.827 -6.890 4.749 385 HG21 THR 51 HG21 THR 51 3.343 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.057 -4.564 6.293 387 HG23 THR 51 HG23 THR 51 1.815 -4.544 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.044 0.448 391 HB3 PHE 52 HB3 PHE 52 3.371 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.343 -1.182 393 HD2 PHE 52 HD1 PHE 52 2.126 -4.110 -0.746 394 HE1 PHE 52 HE2 PHE 52 6.144 -2.587 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.932 -5.359 -2.707 396 HZ PHE 52 HZ PHE 52 4.944 -4.597 -3.909 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.607 5.228 400 HG1 THR 53 HG1 THR 53 5.335 -1.374 5.810 401 HG21 THR 53 HG21 THR 53 5.303 1.873 7.001 402 HG22 THR 53 HG22 THR 53 3.794 1.021 7.332 403 HG23 THR 53 HG23 THR 53 3.837 2.299 6.118 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.143 4.603 2.080 408 HG12 VAL 54 HG12 VAL 54 0.661 5.270 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.533 3.341 410 HG21 VAL 54 HG21 VAL 54 1.638 6.490 1.409 411 HG22 VAL 54 HG22 VAL 54 3.357 6.139 1.234 412 HG23 VAL 54 HG23 VAL 54 2.727 6.716 2.777 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.489 6.409 416 HG1 THR 55 HG1 THR 55 4.824 4.761 7.954 417 HG21 THR 55 HG21 THR 55 4.967 6.782 8.990 418 HG22 THR 55 HG22 THR 55 5.621 8.145 8.082 419 HG23 THR 55 HG23 THR 55 6.703 6.904 8.710 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.432 10.214 5.203 423 HB3 GLU 56 HB3 GLU 56 1.534 10.677 6.912 424 HG2 GLU 56 HG2 GLU 56 2.312 12.911 6.249 425 HG3 GLU 56 HG3 GLU 56 2.176 12.438 4.539 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 1.156 -14.252 -4.200 6 HB3 MET 1 HB3 MET 1 0.904 -12.569 -3.698 7 HG2 MET 1 HG2 MET 1 2.194 -13.687 -2.021 8 HG3 MET 1 HG3 MET 1 0.573 -13.364 -1.365 9 HE1 MET 1 HE1 MET 1 1.362 -16.409 0.537 10 HE2 MET 1 HE2 MET 1 2.044 -14.813 0.223 11 HE3 MET 1 HE3 MET 1 2.857 -16.255 -0.385 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.141 -12.579 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.569 0.727 16 HG2 GLN 2 HG2 GLN 2 -3.303 -10.622 1.723 17 HG3 GLN 2 HG3 GLN 2 -4.041 -9.955 0.248 18 HE21 GLN 2 HE21 GLN 2 -6.178 -10.318 -0.204 19 HE22 GLN 2 HE22 GLN 2 -7.304 -11.041 0.997 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.905 -2.052 23 HB3 TYR 3 HB3 TYR 3 0.577 -6.527 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.767 -9.204 -3.265 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.325 -1.622 26 HE1 TYR 3 HE1 TYR 3 0.667 -10.562 -4.729 27 HE2 TYR 3 HE2 TYR 3 4.122 -8.679 -3.085 28 HH TYR 3 HH TYR 3 3.963 -9.911 -5.202 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.166 -6.410 4.153 32 HB3 LYS 4 HB3 LYS 4 -1.560 -5.434 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.048 -7.311 3.937 34 HG3 LYS 4 HG3 LYS 4 -1.586 -8.286 3.644 35 HD2 LYS 4 HD2 LYS 4 -2.253 -6.986 6.301 36 HD3 LYS 4 HD3 LYS 4 -2.681 -8.663 5.879 37 HE2 LYS 4 HE2 LYS 4 -0.373 -9.267 5.647 38 HE3 LYS 4 HE3 LYS 4 0.143 -7.570 5.791 39 HZ1 LYS 4 HZ1 LYS 4 -0.182 -7.593 8.029 40 HZ2 LYS 4 HZ2 LYS 4 0.209 -9.192 7.825 41 HZ3 LYS 4 HZ3 LYS 4 -1.379 -8.744 7.991 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.415 -1.401 0.635 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.154 1.687 46 HG LEU 5 HG LEU 5 -1.562 0.812 2.706 47 HD11 LEU 5 HD11 LEU 5 0.681 0.324 2.056 48 HD12 LEU 5 HD12 LEU 5 0.192 1.789 1.207 49 HD13 LEU 5 HD13 LEU 5 0.239 0.248 0.351 50 HD21 LEU 5 HD21 LEU 5 -2.269 2.307 0.998 51 HD22 LEU 5 HD22 LEU 5 -3.380 0.937 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.111 1.071 -0.250 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.388 6.831 56 HG11 VAL 6 HG11 VAL 6 0.910 0.129 9.083 57 HG12 VAL 6 HG12 VAL 6 -0.819 -0.189 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.126 1.244 8.192 59 HG21 VAL 6 HG21 VAL 6 -0.877 -2.368 7.361 60 HG22 VAL 6 HG22 VAL 6 0.540 -2.308 8.410 61 HG23 VAL 6 HG23 VAL 6 0.731 -2.623 6.684 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.980 5.928 65 HG12 ILE 7 HG12 ILE 7 -2.129 3.935 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.910 2.524 3.977 67 HG21 ILE 7 HG21 ILE 7 -3.202 6.098 4.428 68 HG22 ILE 7 HG22 ILE 7 -1.531 5.987 4.981 69 HG23 ILE 7 HG23 ILE 7 -2.837 6.164 6.151 70 HD11 ILE 7 HD11 ILE 7 -4.337 3.573 2.307 71 HD12 ILE 7 HD12 ILE 7 -4.282 5.095 3.198 72 HD13 ILE 7 HD13 ILE 7 -5.055 3.682 3.914 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 2.360 5.138 8.552 76 HB3 ASN 8 HB3 ASN 8 1.859 5.607 10.192 77 HD21 ASN 8 HD21 ASN 8 2.496 3.962 11.415 78 HD22 ASN 8 HD22 ASN 8 2.011 2.251 11.146 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.154 13.602 9.001 85 HB3 LYS 10 HB3 LYS 10 -1.862 13.924 8.636 86 HG2 LYS 10 HG2 LYS 10 -2.186 15.151 10.538 87 HG3 LYS 10 HG3 LYS 10 -0.950 14.259 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.032 16.405 11.121 89 HD3 LYS 10 HD3 LYS 10 0.762 15.367 9.911 90 HE2 LYS 10 HE2 LYS 10 -0.620 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.697 17.029 9.313 92 HZ1 LYS 10 HZ1 LYS 10 1.056 17.759 8.554 93 HZ2 LYS 10 HZ2 LYS 10 0.353 18.347 9.936 94 HZ3 LYS 10 HZ3 LYS 10 -0.321 18.682 8.458 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.825 14.217 9.492 98 HG1 THR 11 HG1 THR 11 -7.826 13.869 8.982 99 HG21 THR 11 HG21 THR 11 -5.271 12.682 6.964 100 HG22 THR 11 HG22 THR 11 -4.388 14.056 7.631 101 HG23 THR 11 HG23 THR 11 -6.011 14.282 6.981 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.905 9.383 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.719 6.071 106 HG LEU 12 HG LEU 12 -6.175 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.046 7.039 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.567 6.054 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.875 7.791 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.004 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.359 6.276 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.046 7.444 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -3.879 4.610 11.493 116 HB3 LYS 13 HB3 LYS 13 -3.900 6.382 11.411 117 HG2 LYS 13 HG2 LYS 13 -6.481 6.108 11.616 118 HG3 LYS 13 HG3 LYS 13 -6.079 4.484 12.226 119 HD2 LYS 13 HD2 LYS 13 -4.749 5.415 14.006 120 HD3 LYS 13 HD3 LYS 13 -4.915 7.057 13.334 121 HE2 LYS 13 HE2 LYS 13 -7.282 5.393 14.219 122 HE3 LYS 13 HE3 LYS 13 -6.403 6.480 15.318 123 HZ1 LYS 13 HZ1 LYS 13 -6.966 8.318 13.917 124 HZ2 LYS 13 HZ2 LYS 13 -8.363 7.506 14.288 125 HZ3 LYS 13 HZ3 LYS 13 -7.680 7.332 12.787 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -3.940 -2.191 7.972 132 HB3 GLU 15 HB3 GLU 15 -5.682 -2.518 8.064 133 HG2 GLU 15 HG2 GLU 15 -5.447 -3.858 5.950 134 HG3 GLU 15 HG3 GLU 15 -3.686 -3.663 6.104 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.277 -0.835 2.610 138 HG1 THR 16 HG1 THR 16 -8.573 -2.130 1.504 139 HG21 THR 16 HG21 THR 16 -4.800 -0.846 1.980 140 HG22 THR 16 HG22 THR 16 -5.943 -0.175 0.818 141 HG23 THR 16 HG23 THR 16 -5.290 -1.795 0.577 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.467 -7.856 1.228 145 HG1 THR 17 HG1 THR 17 -7.876 -6.500 1.898 146 HG21 THR 17 HG21 THR 17 -5.536 -8.089 3.489 147 HG22 THR 17 HG22 THR 17 -6.536 -6.655 3.727 148 HG23 THR 17 HG23 THR 17 -4.816 -6.482 3.384 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.094 -4.536 -3.125 152 HG1 THR 18 HG1 THR 18 -6.410 -5.120 -4.774 153 HG21 THR 18 HG21 THR 18 -3.247 -6.149 -4.752 154 HG22 THR 18 HG22 THR 18 -2.961 -6.179 -3.011 155 HG23 THR 18 HG23 THR 18 -2.983 -4.642 -3.876 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.755 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.460 160 HG2 LYS 19 HG2 LYS 19 -6.685 -10.377 -3.003 161 HG3 LYS 19 HG3 LYS 19 -7.956 -11.014 -4.075 162 HD2 LYS 19 HD2 LYS 19 -5.515 -12.595 -3.216 163 HD3 LYS 19 HD3 LYS 19 -7.080 -12.645 -2.367 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.147 -5.326 165 HE3 LYS 19 HE3 LYS 19 -6.490 -14.435 -4.202 166 HZ1 LYS 19 HZ1 LYS 19 -8.742 -13.809 -3.088 167 HZ2 LYS 19 HZ2 LYS 19 -8.712 -14.826 -4.398 168 HZ3 LYS 19 HZ3 LYS 19 -9.124 -13.232 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.215 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.227 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.491 -10.880 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.791 -10.669 -11.434 180 HG21 VAL 21 HG21 VAL 21 2.146 -12.958 -11.079 181 HG22 VAL 21 HG22 VAL 21 0.888 -13.527 -12.177 182 HG23 VAL 21 HG23 VAL 21 0.876 -14.028 -10.485 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.602 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.327 -10.821 -9.943 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 6.963 -4.988 -9.617 195 HB3 GLU 24 HB3 GLU 24 5.528 -5.533 -10.507 196 HG2 GLU 24 HG2 GLU 24 5.035 -3.063 -10.917 197 HG3 GLU 24 HG3 GLU 24 6.687 -2.755 -10.333 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.800 -6.738 -9.910 201 HG1 THR 25 HG1 THR 25 1.901 -7.103 -11.651 202 HG21 THR 25 HG21 THR 25 -0.735 -4.608 -11.359 203 HG22 THR 25 HG22 THR 25 -1.272 -5.687 -10.072 204 HG23 THR 25 HG23 THR 25 -0.987 -6.321 -11.693 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.773 -5.971 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.207 -7.609 214 HG2 GLU 27 HG2 GLU 27 3.761 1.104 -6.573 215 HG3 GLU 27 HG3 GLU 27 4.528 0.428 -5.117 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.026 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.387 0.741 -11.283 221 HG3 LYS 28 HG3 LYS 28 2.447 -0.890 -10.569 222 HD2 LYS 28 HD2 LYS 28 1.656 -1.906 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.410 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.011 0.520 -13.701 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.752 -12.824 226 HZ1 LYS 28 HZ1 LYS 28 3.024 -2.351 -14.429 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.172 -15.180 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.135 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.062 0.020 -3.681 237 HB3 PHE 30 HB3 PHE 30 -0.685 0.817 -2.280 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.443 -2.036 239 HD2 PHE 30 HD2 PHE 30 0.470 -2.171 -3.130 240 HE1 PHE 30 HE1 PHE 30 -4.036 -2.628 -1.207 241 HE2 PHE 30 HE2 PHE 30 -0.297 -4.357 -2.305 242 HZ PHE 30 HZ PHE 30 -2.552 -4.587 -1.339 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.592 3.714 -7.271 246 HB3 LYS 31 HB3 LYS 31 0.739 5.399 -6.734 247 HG2 LYS 31 HG2 LYS 31 2.106 4.259 -4.756 248 HG3 LYS 31 HG3 LYS 31 2.351 3.002 -5.993 249 HD2 LYS 31 HD2 LYS 31 3.123 4.812 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.055 5.945 -6.183 251 HE2 LYS 31 HE2 LYS 31 4.853 4.979 -5.120 252 HE3 LYS 31 HE3 LYS 31 4.574 3.386 -5.862 253 HZ1 LYS 31 HZ1 LYS 31 5.565 5.747 -7.345 254 HZ2 LYS 31 HZ2 LYS 31 5.464 4.188 -7.902 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.571 -6.709 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.784 3.998 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.507 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.428 4.513 -7.678 261 HG3 GLN 32 HG3 GLN 32 -5.715 5.442 -9.017 262 HE21 GLN 32 HE21 GLN 32 -8.263 4.403 -9.175 263 HE22 GLN 32 HE22 GLN 32 -8.273 3.080 -10.392 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.024 1.919 -3.774 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.537 -2.828 268 HD1 TYR 33 HD2 TYR 33 -5.163 3.826 -0.694 269 HD2 TYR 33 HD1 TYR 33 -8.106 1.554 -2.761 270 HE1 TYR 33 HE2 TYR 33 -6.546 3.778 1.340 271 HE2 TYR 33 HE1 TYR 33 -9.497 1.501 -0.734 272 HH TYR 33 HH TYR 33 -8.659 1.837 2.085 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.432 8.933 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.067 8.439 -6.385 282 HD21 ASN 35 HD21 ASN 35 -1.697 10.612 -6.931 283 HD22 ASN 35 HD22 ASN 35 -2.682 11.994 -7.522 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.432 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.701 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.042 291 HB3 ASN 37 HB3 ASN 37 -7.758 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.931 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.600 5.608 -1.062 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.631 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.342 8.887 3.694 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.080 2.238 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.614 303 HG21 VAL 39 HG21 VAL 39 -3.981 7.944 3.011 304 HG22 VAL 39 HG22 VAL 39 -4.523 9.463 2.294 305 HG23 VAL 39 HG23 VAL 39 -3.472 9.481 3.709 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.263 12.991 -0.259 309 HB3 ASP 40 HB3 ASP 40 2.016 13.116 -0.001 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.701 3.441 316 HG11 VAL 42 HG11 VAL 42 9.234 5.747 2.249 317 HG12 VAL 42 HG12 VAL 42 10.397 6.799 3.056 318 HG13 VAL 42 HG13 VAL 42 10.195 6.887 1.307 319 HG21 VAL 42 HG21 VAL 42 10.228 9.172 2.564 320 HG22 VAL 42 HG22 VAL 42 8.639 9.874 2.865 321 HG23 VAL 42 HG23 VAL 42 9.129 9.471 1.221 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.435 3.985 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.579 2.507 -1.209 326 HD1 TRP 43 HD1 TRP 43 5.928 6.243 -1.915 327 HE1 TRP 43 HE1 TRP 43 3.410 6.581 -2.445 328 HE3 TRP 43 HE3 TRP 43 4.312 1.505 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.075 4.982 -2.406 330 HZ3 TRP 43 HZ3 TRP 43 1.923 0.988 -1.158 331 HH2 TRP 43 HH2 TRP 43 0.338 2.692 -1.900 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.670 -0.139 3.543 335 HG1 THR 44 HG1 THR 44 7.534 1.695 3.897 336 HG21 THR 44 HG21 THR 44 10.940 1.896 2.839 337 HG22 THR 44 HG22 THR 44 10.575 1.797 4.562 338 HG23 THR 44 HG23 THR 44 9.637 2.870 3.522 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.673 -2.549 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.129 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.137 -4.590 0.443 344 HD2 TYR 45 HD2 TYR 45 9.499 -5.034 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.395 -6.863 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.766 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.347 -9.111 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.868 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.470 -6.217 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.703 -8.632 -0.546 355 HB3 ASP 47 HB3 ASP 47 11.206 -9.848 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.169 -9.516 6.397 364 HG1 THR 49 HG1 THR 49 6.493 -8.114 5.540 365 HG21 THR 49 HG21 THR 49 5.384 -9.970 8.185 366 HG22 THR 49 HG22 THR 49 6.773 -9.112 7.522 367 HG23 THR 49 HG23 THR 49 6.534 -10.818 7.150 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.680 -10.527 1.637 371 HB3 LYS 50 HB3 LYS 50 2.793 -9.749 0.047 372 HG2 LYS 50 HG2 LYS 50 4.886 -11.692 1.016 373 HG3 LYS 50 HG3 LYS 50 3.391 -12.234 0.213 374 HD2 LYS 50 HD2 LYS 50 3.997 -10.609 -1.662 375 HD3 LYS 50 HD3 LYS 50 5.601 -10.491 -0.897 376 HE2 LYS 50 HE2 LYS 50 6.187 -12.619 -1.481 377 HE3 LYS 50 HE3 LYS 50 4.516 -13.225 -1.389 378 HZ1 LYS 50 HZ1 LYS 50 4.050 -12.210 -3.484 379 HZ2 LYS 50 HZ2 LYS 50 5.420 -13.129 -3.663 380 HZ3 LYS 50 HZ3 LYS 50 5.539 -11.478 -3.549 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.924 4.985 384 HG1 THR 51 HG1 THR 51 1.829 -6.894 4.749 385 HG21 THR 51 HG21 THR 51 3.338 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.054 -4.565 6.293 387 HG23 THR 51 HG23 THR 51 1.811 -4.548 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.041 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.349 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.121 -4.109 -0.743 394 HE1 PHE 52 HE2 PHE 52 6.140 -2.597 -3.146 395 HE2 PHE 52 HE1 PHE 52 2.923 -5.362 -2.703 396 HZ PHE 52 HZ PHE 52 4.936 -4.605 -3.908 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.606 5.228 400 HG1 THR 53 HG1 THR 53 5.332 -1.374 5.812 401 HG21 THR 53 HG21 THR 53 5.305 1.874 7.000 402 HG22 THR 53 HG22 THR 53 3.795 1.024 7.332 403 HG23 THR 53 HG23 THR 53 3.839 2.300 6.116 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.604 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.272 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.534 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.357 6.138 1.233 412 HG23 VAL 54 HG23 VAL 54 2.729 6.716 2.776 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.487 6.408 416 HG1 THR 55 HG1 THR 55 4.823 4.764 7.957 417 HG21 THR 55 HG21 THR 55 4.969 6.786 8.990 418 HG22 THR 55 HG22 THR 55 5.623 8.147 8.079 419 HG23 THR 55 HG23 THR 55 6.704 6.906 8.709 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.432 10.214 5.202 423 HB3 GLU 56 HB3 GLU 56 1.534 10.677 6.911 424 HG2 GLU 56 HG2 GLU 56 2.636 12.856 5.879 425 HG3 GLU 56 HG3 GLU 56 1.695 12.352 4.455 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.669 -3.954 6 HB3 MET 1 HB3 MET 1 0.868 -13.559 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.653 -4.042 8 HG3 MET 1 HG3 MET 1 1.658 -14.491 -5.146 9 HE1 MET 1 HE1 MET 1 3.248 -16.830 -1.773 10 HE2 MET 1 HE2 MET 1 1.559 -16.457 -2.117 11 HE3 MET 1 HE3 MET 1 2.473 -15.450 -0.994 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.143 -12.577 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.572 0.725 16 HG2 GLN 2 HG2 GLN 2 -3.198 -10.071 1.042 17 HG3 GLN 2 HG3 GLN 2 -4.788 -10.418 0.323 18 HE21 GLN 2 HE21 GLN 2 -3.627 -9.695 3.110 19 HE22 GLN 2 HE22 GLN 2 -4.489 -10.840 4.195 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.904 -2.051 23 HB3 TYR 3 HB3 TYR 3 0.579 -6.528 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.771 -9.202 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.328 -1.624 26 HE1 TYR 3 HE1 TYR 3 0.660 -10.560 -4.732 27 HE2 TYR 3 HE2 TYR 3 4.119 -8.683 -3.089 28 HH TYR 3 HH TYR 3 3.956 -9.913 -5.207 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.165 -6.405 4.155 32 HB3 LYS 4 HB3 LYS 4 -1.565 -5.436 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.042 -7.320 3.933 34 HG3 LYS 4 HG3 LYS 4 -1.576 -8.288 3.643 35 HD2 LYS 4 HD2 LYS 4 -2.254 -6.992 6.299 36 HD3 LYS 4 HD3 LYS 4 -2.672 -8.671 5.876 37 HE2 LYS 4 HE2 LYS 4 -0.361 -9.264 5.646 38 HE3 LYS 4 HE3 LYS 4 0.146 -7.565 5.793 39 HZ1 LYS 4 HZ1 LYS 4 -0.183 -7.590 8.030 40 HZ2 LYS 4 HZ2 LYS 4 0.217 -9.187 7.826 41 HZ3 LYS 4 HZ3 LYS 4 -1.373 -8.747 7.989 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.420 -1.404 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.150 1.691 46 HG LEU 5 HG LEU 5 -1.551 0.814 2.701 47 HD11 LEU 5 HD11 LEU 5 0.688 0.316 2.046 48 HD12 LEU 5 HD12 LEU 5 0.201 1.780 1.194 49 HD13 LEU 5 HD13 LEU 5 0.241 0.237 0.342 50 HD21 LEU 5 HD21 LEU 5 -2.258 2.307 0.991 51 HD22 LEU 5 HD22 LEU 5 -3.374 0.942 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.108 1.068 -0.254 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.392 6.829 56 HG11 VAL 6 HG11 VAL 6 0.915 0.133 9.081 57 HG12 VAL 6 HG12 VAL 6 -0.816 -0.181 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.119 1.248 8.188 59 HG21 VAL 6 HG21 VAL 6 -0.883 -2.364 7.368 60 HG22 VAL 6 HG22 VAL 6 0.537 -2.305 8.414 61 HG23 VAL 6 HG23 VAL 6 0.725 -2.626 6.689 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.984 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.133 3.927 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.915 2.520 3.983 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.096 4.423 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.984 4.973 69 HG23 ILE 7 HG23 ILE 7 -2.833 6.167 6.145 70 HD11 ILE 7 HD11 ILE 7 -4.343 3.566 2.312 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.091 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.058 3.681 3.920 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 2.360 5.137 8.552 76 HB3 ASN 8 HB3 ASN 8 1.859 5.608 10.191 77 HD21 ASN 8 HD21 ASN 8 2.497 3.964 11.416 78 HD22 ASN 8 HD22 ASN 8 2.010 2.253 11.149 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.709 13.835 8.501 85 HB3 LYS 10 HB3 LYS 10 -1.449 14.382 10.170 86 HG2 LYS 10 HG2 LYS 10 0.723 12.859 8.776 87 HG3 LYS 10 HG3 LYS 10 0.456 14.573 8.377 88 HD2 LYS 10 HD2 LYS 10 0.919 15.272 10.581 89 HD3 LYS 10 HD3 LYS 10 0.730 13.624 11.231 90 HE2 LYS 10 HE2 LYS 10 3.328 13.336 9.756 91 HE3 LYS 10 HE3 LYS 10 2.288 14.762 9.526 92 HZ1 LYS 10 HZ1 LYS 10 3.707 13.916 11.967 93 HZ2 LYS 10 HZ2 LYS 10 2.452 14.999 12.025 94 HZ3 LYS 10 HZ3 LYS 10 3.818 15.362 11.156 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.201 8.944 98 HG1 THR 11 HG1 THR 11 -6.368 13.484 6.977 99 HG21 THR 11 HG21 THR 11 -4.530 14.722 9.641 100 HG22 THR 11 HG22 THR 11 -6.105 14.777 10.434 101 HG23 THR 11 HG23 THR 11 -5.907 15.452 8.817 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.903 9.385 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.284 8.717 6.071 106 HG LEU 12 HG LEU 12 -6.181 6.435 6.416 107 HD11 LEU 12 HD11 LEU 12 -8.050 7.044 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.573 6.060 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.876 7.797 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.711 8.007 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.364 6.278 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.048 7.443 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.482 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.900 4.600 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.957 6.933 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.374 7.557 11.714 119 HD2 LYS 13 HD2 LYS 13 -3.692 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.589 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.551 8.605 13.064 122 HE3 LYS 13 HE3 LYS 13 -1.713 7.608 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.246 6.814 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.240 8.472 12.533 125 HZ3 LYS 13 HZ3 LYS 13 -1.076 7.615 11.385 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.706 -2.557 8.023 132 HB3 GLU 15 HB3 GLU 15 -4.672 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -2.821 -1.756 7.694 134 HG3 GLU 15 HG3 GLU 15 -3.892 -1.534 9.097 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.277 -0.835 2.610 138 HG1 THR 16 HG1 THR 16 -8.573 -2.130 1.503 139 HG21 THR 16 HG21 THR 16 -4.801 -0.846 1.981 140 HG22 THR 16 HG22 THR 16 -5.944 -0.174 0.818 141 HG23 THR 16 HG23 THR 16 -5.289 -1.794 0.577 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.465 -7.856 1.230 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.894 146 HG21 THR 17 HG21 THR 17 -5.538 -8.087 3.491 147 HG22 THR 17 HG22 THR 17 -6.541 -6.654 3.725 148 HG23 THR 17 HG23 THR 17 -4.820 -6.479 3.386 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.094 -4.536 -3.125 152 HG1 THR 18 HG1 THR 18 -6.411 -5.119 -4.774 153 HG21 THR 18 HG21 THR 18 -3.247 -6.149 -4.753 154 HG22 THR 18 HG22 THR 18 -2.961 -6.179 -3.012 155 HG23 THR 18 HG23 THR 18 -2.983 -4.642 -3.877 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.754 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.461 160 HG2 LYS 19 HG2 LYS 19 -6.683 -10.379 -3.002 161 HG3 LYS 19 HG3 LYS 19 -7.955 -11.015 -4.073 162 HD2 LYS 19 HD2 LYS 19 -5.513 -12.596 -3.219 163 HD3 LYS 19 HD3 LYS 19 -7.077 -12.648 -2.368 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.146 -5.328 165 HE3 LYS 19 HE3 LYS 19 -6.488 -14.436 -4.205 166 HZ1 LYS 19 HZ1 LYS 19 -8.740 -13.812 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.710 -14.828 -4.400 168 HZ3 LYS 19 HZ3 LYS 19 -9.123 -13.233 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.973 -12.790 -11.040 177 HG11 VAL 21 HG11 VAL 21 -1.466 -13.269 -10.588 178 HG12 VAL 21 HG12 VAL 21 -1.064 -12.870 -12.258 179 HG13 VAL 21 HG13 VAL 21 -1.819 -11.661 -11.221 180 HG21 VAL 21 HG21 VAL 21 -0.160 -10.034 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.866 -10.996 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.528 -10.318 -11.105 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.357 -9.606 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.324 -10.820 -9.945 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.727 -5.696 -10.346 195 HB3 GLU 24 HB3 GLU 24 5.695 -3.948 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.649 -3.786 -9.017 197 HG3 GLU 24 HG3 GLU 24 7.756 -5.557 -9.149 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.797 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.106 -11.647 202 HG21 THR 25 HG21 THR 25 -0.732 -4.607 -11.364 203 HG22 THR 25 HG22 THR 25 -1.272 -5.684 -10.077 204 HG23 THR 25 HG23 THR 25 -0.985 -6.321 -11.696 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.775 -5.973 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.205 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.568 215 HG3 GLU 27 HG3 GLU 27 4.528 0.425 -5.114 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.044 -0.939 -10.629 219 HB3 LYS 28 HB3 LYS 28 -0.024 0.743 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.389 0.738 -11.282 221 HG3 LYS 28 HG3 LYS 28 2.446 -0.893 -10.568 222 HD2 LYS 28 HD2 LYS 28 1.654 -1.908 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.900 -0.411 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.013 0.515 -13.700 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.758 -12.822 226 HZ1 LYS 28 HZ1 LYS 28 3.022 -2.356 -14.428 227 HZ2 LYS 28 HZ2 LYS 28 3.917 -1.177 -15.178 228 HZ3 LYS 28 HZ3 LYS 28 2.261 -1.138 -15.263 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.016 -3.683 237 HB3 PHE 30 HB3 PHE 30 -0.681 0.819 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.434 -2.030 239 HD2 PHE 30 HD2 PHE 30 0.464 -2.174 -3.127 240 HE1 PHE 30 HE1 PHE 30 -4.040 -2.615 -1.194 241 HE2 PHE 30 HE2 PHE 30 -0.307 -4.356 -2.294 242 HZ PHE 30 HZ PHE 30 -2.560 -4.578 -1.324 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.594 3.711 -7.269 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.737 247 HG2 LYS 31 HG2 LYS 31 2.105 4.269 -4.754 248 HG3 LYS 31 HG3 LYS 31 2.355 3.008 -5.987 249 HD2 LYS 31 HD2 LYS 31 3.122 4.815 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.050 5.952 -6.187 251 HE2 LYS 31 HE2 LYS 31 4.850 4.996 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.577 3.399 -5.856 253 HZ1 LYS 31 HZ1 LYS 31 5.561 5.758 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.197 -7.899 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.588 -6.706 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -4.574 2.952 -7.805 259 HB3 GLN 32 HB3 GLN 32 -5.391 4.400 -8.425 260 HG2 GLN 32 HG2 GLN 32 -2.542 3.769 -9.168 261 HG3 GLN 32 HG3 GLN 32 -3.914 3.026 -10.023 262 HE21 GLN 32 HE21 GLN 32 -3.082 4.091 -11.913 263 HE22 GLN 32 HE22 GLN 32 -3.483 5.821 -12.188 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.028 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.535 -2.831 268 HD1 TYR 33 HD2 TYR 33 -5.152 3.826 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.559 -2.752 270 HE1 TYR 33 HE2 TYR 33 -6.528 3.781 1.342 271 HE2 TYR 33 HE1 TYR 33 -9.491 1.509 -0.720 272 HH TYR 33 HH TYR 33 -8.642 1.844 2.096 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.856 8.280 -6.317 281 HB3 ASN 35 HB3 ASN 35 -3.907 10.055 -6.374 282 HD21 ASN 35 HD21 ASN 35 -2.160 8.874 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.053 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.432 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.700 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.042 291 HB3 ASN 37 HB3 ASN 37 -7.758 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.930 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.600 5.607 -1.063 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.629 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.344 8.888 3.695 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.081 2.240 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.517 2.616 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.009 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.462 2.292 305 HG23 VAL 39 HG23 VAL 39 -3.474 9.481 3.708 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.551 -1.144 309 HB3 ASP 40 HB3 ASP 40 1.086 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.225 7.699 3.441 316 HG11 VAL 42 HG11 VAL 42 9.237 5.748 2.244 317 HG12 VAL 42 HG12 VAL 42 10.399 6.801 3.053 318 HG13 VAL 42 HG13 VAL 42 10.196 6.892 1.305 319 HG21 VAL 42 HG21 VAL 42 10.226 9.174 2.566 320 HG22 VAL 42 HG22 VAL 42 8.636 9.873 2.869 321 HG23 VAL 42 HG23 VAL 42 9.126 9.474 1.225 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.435 3.984 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.578 2.507 -1.209 326 HD1 TRP 43 HD1 TRP 43 5.930 6.243 -1.915 327 HE1 TRP 43 HE1 TRP 43 3.412 6.583 -2.445 328 HE3 TRP 43 HE3 TRP 43 4.310 1.506 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.076 4.985 -2.407 330 HZ3 TRP 43 HZ3 TRP 43 1.921 0.991 -1.158 331 HH2 TRP 43 HH2 TRP 43 0.338 2.695 -1.901 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.667 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.536 1.700 3.896 336 HG21 THR 44 HG21 THR 44 10.943 1.891 2.838 337 HG22 THR 44 HG22 THR 44 10.577 1.794 4.561 338 HG23 THR 44 HG23 THR 44 9.642 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.675 -2.547 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.347 -3.131 -0.814 343 HD1 TYR 45 HD1 TYR 45 6.133 -4.584 0.442 344 HD2 TYR 45 HD2 TYR 45 9.496 -5.037 -2.125 345 HE1 TYR 45 HE1 TYR 45 5.385 -6.855 -0.130 346 HE2 TYR 45 HE2 TYR 45 8.757 -7.310 -2.705 347 HH TYR 45 HH TYR 45 7.333 -9.108 -1.640 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.866 -5.219 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.220 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.704 -8.632 -0.544 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.850 0.649 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.394 364 HG1 THR 49 HG1 THR 49 6.498 -8.118 5.544 365 HG21 THR 49 HG21 THR 49 5.377 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.117 7.526 367 HG23 THR 49 HG23 THR 49 6.527 -10.823 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.677 -10.524 1.636 371 HB3 LYS 50 HB3 LYS 50 2.796 -9.750 0.044 372 HG2 LYS 50 HG2 LYS 50 4.883 -11.694 1.024 373 HG3 LYS 50 HG3 LYS 50 3.389 -12.236 0.219 374 HD2 LYS 50 HD2 LYS 50 4.004 -10.617 -1.659 375 HD3 LYS 50 HD3 LYS 50 5.605 -10.499 -0.889 376 HE2 LYS 50 HE2 LYS 50 6.190 -12.630 -1.466 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.232 -1.378 378 HZ1 LYS 50 HZ1 LYS 50 4.060 -12.223 -3.477 379 HZ2 LYS 50 HZ2 LYS 50 5.428 -13.144 -3.649 380 HZ3 LYS 50 HZ3 LYS 50 5.550 -11.493 -3.539 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.925 4.985 384 HG1 THR 51 HG1 THR 51 1.828 -6.892 4.749 385 HG21 THR 51 HG21 THR 51 3.341 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.056 -4.564 6.293 387 HG23 THR 51 HG23 THR 51 1.813 -4.546 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.041 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.349 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.120 -4.109 -0.743 394 HE1 PHE 52 HE2 PHE 52 6.140 -2.598 -3.146 395 HE2 PHE 52 HE1 PHE 52 2.922 -5.362 -2.703 396 HZ PHE 52 HZ PHE 52 4.934 -4.606 -3.907 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.608 5.228 400 HG1 THR 53 HG1 THR 53 5.335 -1.374 5.810 401 HG21 THR 53 HG21 THR 53 5.302 1.873 7.001 402 HG22 THR 53 HG22 THR 53 3.794 1.020 7.332 403 HG23 THR 53 HG23 THR 53 3.836 2.298 6.118 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.369 4.029 1.470 407 HG11 VAL 54 HG11 VAL 54 0.143 4.602 2.079 408 HG12 VAL 54 HG12 VAL 54 0.660 5.268 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.531 3.340 410 HG21 VAL 54 HG21 VAL 54 1.637 6.490 1.410 411 HG22 VAL 54 HG22 VAL 54 3.356 6.140 1.235 412 HG23 VAL 54 HG23 VAL 54 2.726 6.716 2.778 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.488 6.408 416 HG1 THR 55 HG1 THR 55 4.823 4.764 7.957 417 HG21 THR 55 HG21 THR 55 4.968 6.785 8.990 418 HG22 THR 55 HG22 THR 55 5.623 8.147 8.079 419 HG23 THR 55 HG23 THR 55 6.704 6.905 8.709 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.431 10.213 5.204 423 HB3 GLU 56 HB3 GLU 56 1.534 10.679 6.912 424 HG2 GLU 56 HG2 GLU 56 2.023 12.911 6.392 425 HG3 GLU 56 HG3 GLU 56 2.438 12.517 4.707 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.669 -3.955 6 HB3 MET 1 HB3 MET 1 0.868 -13.559 -2.422 7 HG2 MET 1 HG2 MET 1 0.934 -15.671 -3.945 8 HG3 MET 1 HG3 MET 1 1.566 -14.546 -5.169 9 HE1 MET 1 HE1 MET 1 3.523 -16.633 -1.831 10 HE2 MET 1 HE2 MET 1 1.795 -16.357 -2.059 11 HE3 MET 1 HE3 MET 1 2.740 -15.258 -1.054 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.950 -12.922 0.407 15 HB3 GLN 2 HB3 GLN 2 -3.274 -11.241 0.877 16 HG2 GLN 2 HG2 GLN 2 -5.291 -11.173 -0.271 17 HG3 GLN 2 HG3 GLN 2 -4.861 -12.547 -1.316 18 HE21 GLN 2 HE21 GLN 2 -7.291 -12.270 0.097 19 HE22 GLN 2 HE22 GLN 2 -7.360 -13.590 1.315 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.907 -2.053 23 HB3 TYR 3 HB3 TYR 3 0.576 -6.526 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.764 -9.206 -3.265 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.322 -1.620 26 HE1 TYR 3 HE1 TYR 3 0.673 -10.563 -4.727 27 HE2 TYR 3 HE2 TYR 3 4.125 -8.675 -3.081 28 HH TYR 3 HH TYR 3 3.968 -9.909 -5.197 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.651 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.261 4.207 33 HG2 LYS 4 HG2 LYS 4 -1.557 -4.301 4.886 34 HG3 LYS 4 HG3 LYS 4 -2.977 -5.377 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.486 -5.889 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.931 -5.048 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.993 6.797 38 HE3 LYS 4 HE3 LYS 4 -1.983 -7.826 5.925 39 HZ1 LYS 4 HZ1 LYS 4 -0.892 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.277 8.446 41 HZ3 LYS 4 HZ3 LYS 4 -1.476 -6.947 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.416 -1.401 0.635 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.153 1.688 46 HG LEU 5 HG LEU 5 -1.559 0.812 2.704 47 HD11 LEU 5 HD11 LEU 5 0.683 0.322 2.054 48 HD12 LEU 5 HD12 LEU 5 0.194 1.787 1.204 49 HD13 LEU 5 HD13 LEU 5 0.240 0.245 0.349 50 HD21 LEU 5 HD21 LEU 5 -2.266 2.307 0.996 51 HD22 LEU 5 HD22 LEU 5 -3.378 0.938 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.110 1.070 -0.251 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.391 6.830 56 HG11 VAL 6 HG11 VAL 6 0.914 0.132 9.081 57 HG12 VAL 6 HG12 VAL 6 -0.817 -0.183 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.121 1.247 8.189 59 HG21 VAL 6 HG21 VAL 6 -0.881 -2.365 7.366 60 HG22 VAL 6 HG22 VAL 6 0.538 -2.306 8.413 61 HG23 VAL 6 HG23 VAL 6 0.726 -2.625 6.688 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.985 5.931 65 HG12 ILE 7 HG12 ILE 7 -2.134 3.925 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.916 2.518 3.985 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.095 4.421 68 HG22 ILE 7 HG22 ILE 7 -1.527 5.983 4.970 69 HG23 ILE 7 HG23 ILE 7 -2.831 6.168 6.143 70 HD11 ILE 7 HD11 ILE 7 -4.345 3.564 2.313 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.090 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.059 3.681 3.922 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.548 3.939 9.333 76 HB3 ASN 8 HB3 ASN 8 2.396 5.348 8.658 77 HD21 ASN 8 HD21 ASN 8 3.310 4.127 10.924 78 HD22 ASN 8 HD22 ASN 8 3.036 5.214 12.331 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.709 13.835 8.501 85 HB3 LYS 10 HB3 LYS 10 -1.448 14.382 10.170 86 HG2 LYS 10 HG2 LYS 10 0.723 12.858 8.775 87 HG3 LYS 10 HG3 LYS 10 0.456 14.572 8.376 88 HD2 LYS 10 HD2 LYS 10 0.748 15.196 10.710 89 HD3 LYS 10 HD3 LYS 10 0.900 13.483 11.173 90 HE2 LYS 10 HE2 LYS 10 3.381 13.763 9.582 91 HE3 LYS 10 HE3 LYS 10 2.170 15.065 9.497 92 HZ1 LYS 10 HZ1 LYS 10 3.785 14.227 11.817 93 HZ2 LYS 10 HZ2 LYS 10 2.415 15.143 12.000 94 HZ3 LYS 10 HZ3 LYS 10 3.689 15.728 11.113 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.472 13.462 7.913 98 HG1 THR 11 HG1 THR 11 -5.510 15.223 9.047 99 HG21 THR 11 HG21 THR 11 -7.894 12.760 9.554 100 HG22 THR 11 HG22 THR 11 -7.570 12.388 7.860 101 HG23 THR 11 HG23 THR 11 -7.880 14.052 8.355 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.906 9.383 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.720 6.071 106 HG LEU 12 HG LEU 12 -6.175 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.046 7.039 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.566 6.054 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.874 7.790 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.004 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.359 6.276 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.046 7.444 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.479 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.898 4.601 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.961 6.937 10.835 118 HG3 LYS 13 HG3 LYS 13 -4.380 7.557 11.715 119 HD2 LYS 13 HD2 LYS 13 -3.694 6.435 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.594 12.874 121 HE2 LYS 13 HE2 LYS 13 -2.559 8.609 13.065 122 HE3 LYS 13 HE3 LYS 13 -1.718 7.614 14.277 123 HZ1 LYS 13 HZ1 LYS 13 -0.250 6.825 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.248 8.482 12.534 125 HZ3 LYS 13 HZ3 LYS 13 -1.082 7.624 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -3.939 -2.191 7.972 132 HB3 GLU 15 HB3 GLU 15 -5.682 -2.518 8.064 133 HG2 GLU 15 HG2 GLU 15 -5.448 -3.858 5.951 134 HG3 GLU 15 HG3 GLU 15 -3.686 -3.664 6.104 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.278 -0.836 2.610 138 HG1 THR 16 HG1 THR 16 -8.572 -2.131 1.501 139 HG21 THR 16 HG21 THR 16 -4.801 -0.844 1.983 140 HG22 THR 16 HG22 THR 16 -5.944 -0.173 0.819 141 HG23 THR 16 HG23 THR 16 -5.288 -1.792 0.578 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.466 -7.856 1.229 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.895 146 HG21 THR 17 HG21 THR 17 -5.537 -8.088 3.490 147 HG22 THR 17 HG22 THR 17 -6.539 -6.654 3.726 148 HG23 THR 17 HG23 THR 17 -4.819 -6.480 3.386 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.092 -4.536 -3.123 152 HG1 THR 18 HG1 THR 18 -6.412 -5.116 -4.770 153 HG21 THR 18 HG21 THR 18 -3.250 -6.150 -4.756 154 HG22 THR 18 HG22 THR 18 -2.961 -6.183 -3.016 155 HG23 THR 18 HG23 THR 18 -2.982 -4.645 -3.879 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.723 -10.225 -5.757 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.605 -5.459 160 HG2 LYS 19 HG2 LYS 19 -6.687 -10.374 -3.004 161 HG3 LYS 19 HG3 LYS 19 -7.957 -11.012 -4.076 162 HD2 LYS 19 HD2 LYS 19 -5.517 -12.593 -3.214 163 HD3 LYS 19 HD3 LYS 19 -7.083 -12.642 -2.365 164 HE2 LYS 19 HE2 LYS 19 -6.981 -13.147 -5.324 165 HE3 LYS 19 HE3 LYS 19 -6.492 -14.434 -4.198 166 HZ1 LYS 19 HZ1 LYS 19 -8.745 -13.806 -3.087 167 HZ2 LYS 19 HZ2 LYS 19 -8.714 -14.825 -4.396 168 HZ3 LYS 19 HZ3 LYS 19 -9.125 -13.230 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.214 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.227 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.492 -10.880 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.791 -10.670 -11.434 180 HG21 VAL 21 HG21 VAL 21 2.146 -12.959 -11.079 181 HG22 VAL 21 HG22 VAL 21 0.888 -13.527 -12.177 182 HG23 VAL 21 HG23 VAL 21 0.875 -14.028 -10.485 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.604 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.325 -10.821 -9.944 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.725 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.696 -3.946 -10.649 196 HG2 GLU 24 HG2 GLU 24 7.651 -3.790 -9.016 197 HG3 GLU 24 HG3 GLU 24 7.754 -5.561 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.798 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.106 -11.648 202 HG21 THR 25 HG21 THR 25 -0.733 -4.607 -11.363 203 HG22 THR 25 HG22 THR 25 -1.272 -5.685 -10.076 204 HG23 THR 25 HG23 THR 25 -0.985 -6.321 -11.696 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.775 -5.973 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.204 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.568 215 HG3 GLU 27 HG3 GLU 27 4.529 0.425 -5.114 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.041 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.027 0.741 -11.194 220 HG2 LYS 28 HG2 LYS 28 2.386 0.743 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.449 -0.888 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.657 -1.905 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.009 0.523 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.748 -12.826 226 HZ1 LYS 28 HZ1 LYS 28 3.025 -2.348 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.167 -15.182 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.132 -15.265 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.017 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.682 0.818 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.436 -2.031 239 HD2 PHE 30 HD2 PHE 30 0.465 -2.173 -3.127 240 HE1 PHE 30 HE1 PHE 30 -4.039 -2.617 -1.196 241 HE2 PHE 30 HE2 PHE 30 -0.305 -4.356 -2.296 242 HZ PHE 30 HZ PHE 30 -2.559 -4.580 -1.326 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.595 3.710 -7.269 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.738 247 HG2 LYS 31 HG2 LYS 31 2.105 4.270 -4.754 248 HG3 LYS 31 HG3 LYS 31 2.355 3.009 -5.986 249 HD2 LYS 31 HD2 LYS 31 3.122 4.816 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.050 5.953 -6.187 251 HE2 LYS 31 HE2 LYS 31 4.850 4.998 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.577 3.401 -5.855 253 HZ1 LYS 31 HZ1 LYS 31 5.561 5.759 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.198 -7.898 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.590 -6.706 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.001 -9.057 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.836 260 HG2 GLN 32 HG2 GLN 32 -6.269 3.702 -9.217 261 HG3 GLN 32 HG3 GLN 32 -6.409 4.566 -7.668 262 HE21 GLN 32 HE21 GLN 32 -5.402 6.736 -7.568 263 HE22 GLN 32 HE22 GLN 32 -5.511 7.761 -9.041 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.029 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.534 -2.832 268 HD1 TYR 33 HD2 TYR 33 -5.149 3.825 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.561 -2.750 270 HE1 TYR 33 HE2 TYR 33 -6.523 3.781 1.343 271 HE2 TYR 33 HE1 TYR 33 -9.489 1.511 -0.716 272 HH TYR 33 HH TYR 33 -8.638 1.846 2.099 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.432 8.933 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.067 8.439 -6.385 282 HD21 ASN 35 HD21 ASN 35 -4.429 9.574 -8.167 283 HD22 ASN 35 HD22 ASN 35 -4.336 11.366 -8.270 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.265 6.765 -4.434 287 HB3 ASP 36 HB3 ASP 36 -9.659 7.834 -4.699 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.854 7.527 0.041 291 HB3 ASN 37 HB3 ASN 37 -7.756 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.935 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.604 5.609 -1.060 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.632 8.237 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.340 8.886 3.693 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.079 2.236 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.515 2.613 303 HG21 VAL 39 HG21 VAL 39 -3.981 7.945 3.012 304 HG22 VAL 39 HG22 VAL 39 -4.523 9.464 2.296 305 HG23 VAL 39 HG23 VAL 39 -3.470 9.481 3.710 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.264 12.993 -0.256 309 HB3 ASP 40 HB3 ASP 40 2.019 13.115 -0.004 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.700 3.441 316 HG11 VAL 42 HG11 VAL 42 9.235 5.747 2.247 317 HG12 VAL 42 HG12 VAL 42 10.398 6.800 3.055 318 HG13 VAL 42 HG13 VAL 42 10.196 6.889 1.306 319 HG21 VAL 42 HG21 VAL 42 10.227 9.173 2.565 320 HG22 VAL 42 HG22 VAL 42 8.638 9.873 2.867 321 HG23 VAL 42 HG23 VAL 42 9.128 9.473 1.223 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.935 6.244 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.418 6.587 -2.448 328 HE3 TRP 43 HE3 TRP 43 4.307 1.510 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.079 4.993 -2.409 330 HZ3 TRP 43 HZ3 TRP 43 1.917 0.998 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.337 2.705 -1.902 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.667 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.537 1.700 3.896 336 HG21 THR 44 HG21 THR 44 10.944 1.890 2.838 337 HG22 THR 44 HG22 THR 44 10.578 1.794 4.561 338 HG23 THR 44 HG23 THR 44 9.643 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.672 -2.550 -0.961 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.127 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.139 -4.594 0.444 344 HD2 TYR 45 HD2 TYR 45 9.502 -5.032 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.401 -6.868 -0.128 346 HE2 TYR 45 HE2 TYR 45 8.773 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.357 -9.113 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.866 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.219 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.703 -8.632 -0.545 355 HB3 ASP 47 HB3 ASP 47 11.206 -9.849 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.169 -9.517 6.398 364 HG1 THR 49 HG1 THR 49 6.491 -8.113 5.539 365 HG21 THR 49 HG21 THR 49 5.386 -9.970 8.185 366 HG22 THR 49 HG22 THR 49 6.774 -9.110 7.521 367 HG23 THR 49 HG23 THR 49 6.536 -10.817 7.149 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.525 1.636 371 HB3 LYS 50 HB3 LYS 50 2.795 -9.750 0.045 372 HG2 LYS 50 HG2 LYS 50 4.884 -11.693 1.020 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.217 374 HD2 LYS 50 HD2 LYS 50 4.001 -10.613 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.603 -10.496 -0.892 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.625 -1.472 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.229 -1.383 378 HZ1 LYS 50 HZ1 LYS 50 4.055 -12.217 -3.480 379 HZ2 LYS 50 HZ2 LYS 50 5.425 -13.137 -3.655 380 HZ3 LYS 50 HZ3 LYS 50 5.545 -11.487 -3.543 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.928 4.985 384 HG1 THR 51 HG1 THR 51 1.825 -6.887 4.749 385 HG21 THR 51 HG21 THR 51 3.347 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.059 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.817 -4.541 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.043 0.448 391 HB3 PHE 52 HB3 PHE 52 3.371 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.343 -1.182 393 HD2 PHE 52 HD1 PHE 52 2.126 -4.110 -0.746 394 HE1 PHE 52 HE2 PHE 52 6.144 -2.588 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.931 -5.359 -2.707 396 HZ PHE 52 HZ PHE 52 4.943 -4.598 -3.909 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.609 5.228 400 HG1 THR 53 HG1 THR 53 5.337 -1.373 5.809 401 HG21 THR 53 HG21 THR 53 5.301 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.794 1.019 7.333 403 HG23 THR 53 HG23 THR 53 3.835 2.297 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.604 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.272 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.534 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.357 6.138 1.233 412 HG23 VAL 54 HG23 VAL 54 2.728 6.716 2.776 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.488 6.408 416 HG1 THR 55 HG1 THR 55 4.823 4.763 7.957 417 HG21 THR 55 HG21 THR 55 4.968 6.785 8.990 418 HG22 THR 55 HG22 THR 55 5.623 8.147 8.079 419 HG23 THR 55 HG23 THR 55 6.704 6.905 8.709 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.431 10.213 5.203 423 HB3 GLU 56 HB3 GLU 56 1.534 10.678 6.912 424 HG2 GLU 56 HG2 GLU 56 2.265 12.913 6.279 425 HG3 GLU 56 HG3 GLU 56 2.225 12.450 4.561 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.669 -3.955 6 HB3 MET 1 HB3 MET 1 0.868 -13.558 -2.422 7 HG2 MET 1 HG2 MET 1 0.938 -15.672 -3.938 8 HG3 MET 1 HG3 MET 1 1.560 -14.550 -5.170 9 HE1 MET 1 HE1 MET 1 3.514 -16.561 -1.764 10 HE2 MET 1 HE2 MET 1 1.789 -16.269 -1.989 11 HE3 MET 1 HE3 MET 1 2.758 -15.140 -1.043 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.142 -12.578 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.570 0.726 16 HG2 GLN 2 HG2 GLN 2 -3.316 -10.641 1.739 17 HG3 GLN 2 HG3 GLN 2 -4.014 -9.946 0.257 18 HE21 GLN 2 HE21 GLN 2 -4.574 -11.714 3.168 19 HE22 GLN 2 HE22 GLN 2 -6.356 -11.867 2.988 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.903 -2.051 23 HB3 TYR 3 HB3 TYR 3 0.580 -6.529 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.774 -9.200 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.330 -1.626 26 HE1 TYR 3 HE1 TYR 3 0.655 -10.559 -4.734 27 HE2 TYR 3 HE2 TYR 3 4.117 -8.686 -3.092 28 HH TYR 3 HH TYR 3 3.952 -9.915 -5.211 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.649 -7.202 4.020 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.258 4.207 33 HG2 LYS 4 HG2 LYS 4 -1.562 -4.302 4.886 34 HG3 LYS 4 HG3 LYS 4 -2.979 -5.381 4.864 35 HD2 LYS 4 HD2 LYS 4 -0.489 -5.888 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.936 -5.051 7.130 37 HE2 LYS 4 HE2 LYS 4 -3.292 -6.998 6.795 38 HE3 LYS 4 HE3 LYS 4 -1.981 -7.829 5.924 39 HZ1 LYS 4 HZ1 LYS 4 -0.891 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.440 -8.281 8.444 41 HZ3 LYS 4 HZ3 LYS 4 -1.478 -6.948 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.416 -1.401 0.635 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.154 1.688 46 HG LEU 5 HG LEU 5 -1.560 0.812 2.705 47 HD11 LEU 5 HD11 LEU 5 0.682 0.323 2.055 48 HD12 LEU 5 HD12 LEU 5 0.193 1.788 1.205 49 HD13 LEU 5 HD13 LEU 5 0.240 0.246 0.350 50 HD21 LEU 5 HD21 LEU 5 -2.267 2.307 0.997 51 HD22 LEU 5 HD22 LEU 5 -3.379 0.938 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.111 1.070 -0.251 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.389 6.830 56 HG11 VAL 6 HG11 VAL 6 0.911 0.130 9.083 57 HG12 VAL 6 HG12 VAL 6 -0.819 -0.187 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.124 1.245 8.191 59 HG21 VAL 6 HG21 VAL 6 -0.879 -2.367 7.363 60 HG22 VAL 6 HG22 VAL 6 0.539 -2.307 8.411 61 HG23 VAL 6 HG23 VAL 6 0.730 -2.624 6.686 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.984 5.931 65 HG12 ILE 7 HG12 ILE 7 -2.133 3.926 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.916 2.519 3.984 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.095 4.422 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.983 4.971 69 HG23 ILE 7 HG23 ILE 7 -2.832 6.167 6.144 70 HD11 ILE 7 HD11 ILE 7 -4.344 3.565 2.313 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.090 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.058 3.681 3.921 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.334 76 HB3 ASN 8 HB3 ASN 8 2.396 5.346 8.657 77 HD21 ASN 8 HD21 ASN 8 3.230 4.057 10.967 78 HD22 ASN 8 HD22 ASN 8 2.989 5.175 12.355 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.156 13.601 8.998 85 HB3 LYS 10 HB3 LYS 10 -1.864 13.925 8.638 86 HG2 LYS 10 HG2 LYS 10 -2.181 15.151 10.542 87 HG3 LYS 10 HG3 LYS 10 -0.943 14.257 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.024 16.403 11.120 89 HD3 LYS 10 HD3 LYS 10 0.766 15.365 9.906 90 HE2 LYS 10 HE2 LYS 10 -0.621 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.694 17.030 9.317 92 HZ1 LYS 10 HZ1 LYS 10 1.058 17.757 8.551 93 HZ2 LYS 10 HZ2 LYS 10 0.359 18.345 9.936 94 HZ3 LYS 10 HZ3 LYS 10 -0.318 18.682 8.460 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.473 13.461 7.912 98 HG1 THR 11 HG1 THR 11 -5.509 15.223 9.046 99 HG21 THR 11 HG21 THR 11 -7.894 12.762 9.556 100 HG22 THR 11 HG22 THR 11 -7.571 12.389 7.862 101 HG23 THR 11 HG23 THR 11 -7.880 14.053 8.356 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.904 9.384 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.284 8.718 6.071 106 HG LEU 12 HG LEU 12 -6.178 6.436 6.416 107 HD11 LEU 12 HD11 LEU 12 -8.049 7.042 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.570 6.058 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.876 7.795 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.006 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.362 6.277 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.048 7.443 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -3.624 6.143 11.363 116 HB3 LYS 13 HB3 LYS 13 -5.340 5.891 11.738 117 HG2 LYS 13 HG2 LYS 13 -3.707 3.490 11.074 118 HG3 LYS 13 HG3 LYS 13 -3.423 4.284 12.642 119 HD2 LYS 13 HD2 LYS 13 -5.911 4.166 13.041 120 HD3 LYS 13 HD3 LYS 13 -6.028 3.156 11.578 121 HE2 LYS 13 HE3 LYS 13 -5.985 1.749 13.389 122 HE3 LYS 13 HE2 LYS 13 -5.144 3.060 12.530 123 HZ1 LYS 13 HZ1 LYS 13 -4.482 2.009 15.214 124 HZ2 LYS 13 HZ2 LYS 13 -5.130 3.494 14.864 125 HZ3 LYS 13 HZ3 LYS 13 -3.577 3.141 14.403 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -4.738 -3.304 6.787 132 HB3 GLU 15 HB3 GLU 15 -3.898 -2.222 7.916 133 HG2 GLU 15 HG2 GLU 15 -6.138 -1.686 8.922 134 HG3 GLU 15 HG3 GLU 15 -6.826 -2.974 7.906 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -6.987 -2.183 1.175 138 HG1 THR 16 HG1 THR 16 -5.179 -1.037 1.148 139 HG21 THR 16 HG21 THR 16 -8.736 -1.561 2.931 140 HG22 THR 16 HG22 THR 16 -8.434 -0.414 1.627 141 HG23 THR 16 HG23 THR 16 -7.749 -0.130 3.227 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.468 -7.856 1.228 145 HG1 THR 17 HG1 THR 17 -7.876 -6.499 1.899 146 HG21 THR 17 HG21 THR 17 -5.535 -8.089 3.489 147 HG22 THR 17 HG22 THR 17 -6.535 -6.655 3.727 148 HG23 THR 17 HG23 THR 17 -4.815 -6.483 3.384 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.092 -4.536 -3.124 152 HG1 THR 18 HG1 THR 18 -6.412 -5.117 -4.771 153 HG21 THR 18 HG21 THR 18 -3.249 -6.150 -4.755 154 HG22 THR 18 HG22 THR 18 -2.961 -6.182 -3.015 155 HG23 THR 18 HG23 THR 18 -2.982 -4.644 -3.879 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.753 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.603 -5.463 160 HG2 LYS 19 HG2 LYS 19 -6.681 -10.381 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.017 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.510 -12.598 -3.222 163 HD3 LYS 19 HD3 LYS 19 -7.074 -12.651 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.330 165 HE3 LYS 19 HE3 LYS 19 -6.486 -14.437 -4.209 166 HZ1 LYS 19 HZ1 LYS 19 -8.737 -13.815 -3.090 167 HZ2 LYS 19 HZ2 LYS 19 -8.708 -14.829 -4.403 168 HZ3 LYS 19 HZ3 LYS 19 -9.121 -13.235 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.970 -12.793 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.471 -13.262 -10.589 178 HG12 VAL 21 HG12 VAL 21 -1.066 -12.865 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.817 -11.653 -11.223 180 HG21 VAL 21 HG21 VAL 21 -0.152 -10.032 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.871 -10.998 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.535 -10.323 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.604 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.326 -10.821 -9.944 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.726 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.695 -3.947 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.650 -3.788 -9.017 197 HG3 GLU 24 HG3 GLU 24 7.755 -5.559 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.800 -6.738 -9.910 201 HG1 THR 25 HG1 THR 25 1.901 -7.104 -11.651 202 HG21 THR 25 HG21 THR 25 -0.735 -4.608 -11.359 203 HG22 THR 25 HG22 THR 25 -1.272 -5.687 -10.072 204 HG23 THR 25 HG23 THR 25 -0.987 -6.321 -11.693 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.774 -5.972 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.205 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.570 215 HG3 GLU 27 HG3 GLU 27 4.528 0.426 -5.115 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.043 -0.939 -10.629 219 HB3 LYS 28 HB3 LYS 28 -0.025 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.388 0.740 -11.283 221 HG3 LYS 28 HG3 LYS 28 2.447 -0.891 -10.569 222 HD2 LYS 28 HD2 LYS 28 1.655 -1.907 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.410 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.011 0.518 -13.701 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.754 -12.824 226 HZ1 LYS 28 HZ1 LYS 28 3.023 -2.353 -14.429 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.174 -15.180 228 HZ3 LYS 28 HZ3 LYS 28 2.261 -1.136 -15.263 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.018 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.683 0.818 -2.281 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.439 -2.033 239 HD2 PHE 30 HD2 PHE 30 0.467 -2.172 -3.129 240 HE1 PHE 30 HE1 PHE 30 -4.038 -2.621 -1.201 241 HE2 PHE 30 HE2 PHE 30 -0.302 -4.356 -2.300 242 HZ PHE 30 HZ PHE 30 -2.556 -4.583 -1.332 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.592 3.714 -7.271 246 HB3 LYS 31 HB3 LYS 31 0.738 5.399 -6.734 247 HG2 LYS 31 HG2 LYS 31 2.106 4.261 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.351 3.003 -5.992 249 HD2 LYS 31 HD2 LYS 31 3.123 4.813 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.054 5.946 -6.184 251 HE2 LYS 31 HE2 LYS 31 4.853 4.982 -5.120 252 HE3 LYS 31 HE3 LYS 31 4.574 3.388 -5.861 253 HZ1 LYS 31 HZ1 LYS 31 5.564 5.749 -7.346 254 HZ2 LYS 31 HZ2 LYS 31 5.464 4.189 -7.902 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.574 -6.709 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.001 -9.057 259 HB3 GLN 32 HB3 GLN 32 -4.504 2.933 -7.836 260 HG2 GLN 32 HG2 GLN 32 -6.292 3.677 -9.168 261 HG3 GLN 32 HG3 GLN 32 -6.390 4.621 -7.664 262 HE21 GLN 32 HE21 GLN 32 -7.758 5.974 -9.093 263 HE22 GLN 32 HE22 GLN 32 -6.927 7.244 -10.058 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.027 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.535 -2.831 268 HD1 TYR 33 HD2 TYR 33 -5.153 3.826 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.559 -2.753 270 HE1 TYR 33 HE2 TYR 33 -6.530 3.780 1.342 271 HE2 TYR 33 HE1 TYR 33 -9.492 1.508 -0.722 272 HH TYR 33 HH TYR 33 -8.644 1.843 2.095 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.432 8.932 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.067 8.439 -6.386 282 HD21 ASN 35 HD21 ASN 35 -1.792 11.056 -6.055 283 HD22 ASN 35 HD22 ASN 35 -2.739 12.263 -6.992 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.267 6.766 -4.432 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.836 -4.701 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.854 7.527 0.040 291 HB3 ASN 37 HB3 ASN 37 -7.756 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.936 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.605 5.610 -1.059 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.630 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.343 8.888 3.695 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.081 2.239 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.615 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.010 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.462 2.293 305 HG23 VAL 39 HG23 VAL 39 -3.474 9.481 3.708 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.398 12.552 -1.144 309 HB3 ASP 40 HB3 ASP 40 1.087 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.702 3.441 316 HG11 VAL 42 HG11 VAL 42 9.233 5.746 2.250 317 HG12 VAL 42 HG12 VAL 42 10.396 6.798 3.057 318 HG13 VAL 42 HG13 VAL 42 10.195 6.885 1.308 319 HG21 VAL 42 HG21 VAL 42 10.229 9.171 2.564 320 HG22 VAL 42 HG22 VAL 42 8.640 9.874 2.864 321 HG23 VAL 42 HG23 VAL 42 9.130 9.470 1.220 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.935 6.244 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.418 6.587 -2.448 328 HE3 TRP 43 HE3 TRP 43 4.307 1.510 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.078 4.993 -2.409 330 HZ3 TRP 43 HZ3 TRP 43 1.917 0.998 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.337 2.705 -1.902 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.668 -0.140 3.543 335 HG1 THR 44 HG1 THR 44 7.536 1.698 3.896 336 HG21 THR 44 HG21 THR 44 10.942 1.892 2.838 337 HG22 THR 44 HG22 THR 44 10.577 1.795 4.561 338 HG23 THR 44 HG23 THR 44 9.641 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.670 -2.552 -0.961 342 HB3 TYR 45 HB3 TYR 45 9.345 -3.125 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.143 -4.598 0.445 344 HD2 TYR 45 HD2 TYR 45 9.505 -5.029 -2.127 345 HE1 TYR 45 HE1 TYR 45 5.409 -6.874 -0.126 346 HE2 TYR 45 HE2 TYR 45 8.780 -7.308 -2.705 347 HH TYR 45 HH TYR 45 7.369 -9.115 -1.638 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.864 -5.218 5.111 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.222 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.703 -8.632 -0.546 355 HB3 ASP 47 HB3 ASP 47 11.206 -9.848 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.167 -9.511 6.393 364 HG1 THR 49 HG1 THR 49 6.502 -8.120 5.546 365 HG21 THR 49 HG21 THR 49 5.373 -9.973 8.185 366 HG22 THR 49 HG22 THR 49 6.770 -9.121 7.529 367 HG23 THR 49 HG23 THR 49 6.523 -10.826 7.154 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.526 1.637 371 HB3 LYS 50 HB3 LYS 50 2.794 -9.749 0.046 372 HG2 LYS 50 HG2 LYS 50 4.885 -11.693 1.019 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.216 374 HD2 LYS 50 HD2 LYS 50 3.999 -10.612 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.602 -10.494 -0.894 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.623 -1.475 377 HE3 LYS 50 HE3 LYS 50 4.516 -13.227 -1.385 378 HZ1 LYS 50 HZ1 LYS 50 4.053 -12.215 -3.482 379 HZ2 LYS 50 HZ2 LYS 50 5.423 -13.134 -3.658 380 HZ3 LYS 50 HZ3 LYS 50 5.543 -11.484 -3.545 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.929 4.985 384 HG1 THR 51 HG1 THR 51 1.824 -6.886 4.749 385 HG21 THR 51 HG21 THR 51 3.348 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.060 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.818 -4.540 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.041 0.449 391 HB3 PHE 52 HB3 PHE 52 3.374 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.350 -1.185 393 HD2 PHE 52 HD1 PHE 52 2.120 -4.109 -0.742 394 HE1 PHE 52 HE2 PHE 52 6.139 -2.599 -3.146 395 HE2 PHE 52 HE1 PHE 52 2.921 -5.362 -2.702 396 HZ PHE 52 HZ PHE 52 4.933 -4.607 -3.907 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.607 5.228 400 HG1 THR 53 HG1 THR 53 5.334 -1.374 5.810 401 HG21 THR 53 HG21 THR 53 5.303 1.873 7.001 402 HG22 THR 53 HG22 THR 53 3.795 1.022 7.332 403 HG23 THR 53 HG23 THR 53 3.837 2.299 6.117 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.366 4.026 1.472 407 HG11 VAL 54 HG11 VAL 54 0.142 4.607 2.082 408 HG12 VAL 54 HG12 VAL 54 0.664 5.276 3.628 409 HG13 VAL 54 HG13 VAL 54 0.752 3.538 3.345 410 HG21 VAL 54 HG21 VAL 54 1.641 6.490 1.405 411 HG22 VAL 54 HG22 VAL 54 3.359 6.134 1.230 412 HG23 VAL 54 HG23 VAL 54 2.732 6.716 2.772 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.491 6.410 416 HG1 THR 55 HG1 THR 55 4.825 4.760 7.952 417 HG21 THR 55 HG21 THR 55 4.966 6.779 8.990 418 HG22 THR 55 HG22 THR 55 5.619 8.144 8.084 419 HG23 THR 55 HG23 THR 55 6.702 6.903 8.711 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.454 10.415 6.791 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.973 424 HG2 GLU 56 HG2 GLU 56 1.793 10.687 3.801 425 HG3 GLU 56 HG3 GLU 56 1.133 9.298 4.695 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 1.156 -14.253 -4.199 6 HB3 MET 1 HB3 MET 1 0.904 -12.570 -3.699 7 HG2 MET 1 HG2 MET 1 2.133 -13.523 -1.960 8 HG3 MET 1 HG3 MET 1 0.459 -13.505 -1.360 9 HE1 MET 1 HE1 MET 1 0.898 -16.528 0.418 10 HE2 MET 1 HE2 MET 1 1.257 -14.801 0.395 11 HE3 MET 1 HE3 MET 1 2.553 -15.975 0.161 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.142 -12.578 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.571 0.726 16 HG2 GLN 2 HG2 GLN 2 -3.207 -10.468 1.581 17 HG3 GLN 2 HG3 GLN 2 -4.249 -10.037 0.205 18 HE21 GLN 2 HE21 GLN 2 -4.936 -9.734 2.928 19 HE22 GLN 2 HE22 GLN 2 -6.321 -10.832 3.259 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.906 -2.052 23 HB3 TYR 3 HB3 TYR 3 0.577 -6.527 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.767 -9.204 -3.265 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.324 -1.621 26 HE1 TYR 3 HE1 TYR 3 0.668 -10.562 -4.729 27 HE2 TYR 3 HE2 TYR 3 4.122 -8.678 -3.084 28 HH TYR 3 HH TYR 3 3.964 -9.910 -5.201 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.652 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.261 4.206 33 HG2 LYS 4 HG2 LYS 4 -1.556 -4.301 4.885 34 HG3 LYS 4 HG3 LYS 4 -2.976 -5.375 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.485 -5.889 6.515 36 HD3 LYS 4 HD3 LYS 4 -1.929 -5.047 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.991 6.798 38 HE3 LYS 4 HE3 LYS 4 -1.984 -7.826 5.925 39 HZ1 LYS 4 HZ1 LYS 4 -0.893 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.276 8.446 41 HZ3 LYS 4 HZ3 LYS 4 -1.475 -6.946 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.419 -1.403 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.151 1.690 46 HG LEU 5 HG LEU 5 -1.554 0.813 2.702 47 HD11 LEU 5 HD11 LEU 5 0.686 0.318 2.048 48 HD12 LEU 5 HD12 LEU 5 0.199 1.783 1.197 49 HD13 LEU 5 HD13 LEU 5 0.240 0.240 0.344 50 HD21 LEU 5 HD21 LEU 5 -2.260 2.307 0.993 51 HD22 LEU 5 HD22 LEU 5 -3.375 0.941 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.068 -0.253 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.389 6.830 56 HG11 VAL 6 HG11 VAL 6 0.912 0.131 9.082 57 HG12 VAL 6 HG12 VAL 6 -0.818 -0.187 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.124 1.245 8.191 59 HG21 VAL 6 HG21 VAL 6 -0.879 -2.367 7.363 60 HG22 VAL 6 HG22 VAL 6 0.539 -2.307 8.411 61 HG23 VAL 6 HG23 VAL 6 0.729 -2.624 6.686 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.983 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.132 3.928 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.914 2.520 3.982 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.096 4.424 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.984 4.974 69 HG23 ILE 7 HG23 ILE 7 -2.833 6.166 6.146 70 HD11 ILE 7 HD11 ILE 7 -4.342 3.567 2.311 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.092 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.058 3.681 3.919 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 2.360 5.138 8.552 76 HB3 ASN 8 HB3 ASN 8 1.859 5.608 10.191 77 HD21 ASN 8 HD21 ASN 8 2.496 3.963 11.415 78 HD22 ASN 8 HD22 ASN 8 2.011 2.252 11.147 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.156 13.601 8.998 85 HB3 LYS 10 HB3 LYS 10 -1.864 13.925 8.638 86 HG2 LYS 10 HG2 LYS 10 -2.181 15.151 10.541 87 HG3 LYS 10 HG3 LYS 10 -0.944 14.257 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.024 16.403 11.120 89 HD3 LYS 10 HD3 LYS 10 0.765 15.365 9.907 90 HE2 LYS 10 HE2 LYS 10 -0.621 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.694 17.030 9.317 92 HZ1 LYS 10 HZ1 LYS 10 1.058 17.757 8.551 93 HZ2 LYS 10 HZ2 LYS 10 0.359 18.345 9.936 94 HZ3 LYS 10 HZ3 LYS 10 -0.318 18.682 8.460 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.201 8.943 98 HG1 THR 11 HG1 THR 11 -6.366 13.485 6.977 99 HG21 THR 11 HG21 THR 11 -4.531 14.723 9.643 100 HG22 THR 11 HG22 THR 11 -6.107 14.776 10.434 101 HG23 THR 11 HG23 THR 11 -5.908 15.452 8.818 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.903 9.385 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.284 8.717 6.071 106 HG LEU 12 HG LEU 12 -6.181 6.435 6.416 107 HD11 LEU 12 HD11 LEU 12 -8.050 7.044 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.573 6.060 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.876 7.797 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.711 8.007 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.365 6.278 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.049 7.443 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.480 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.899 4.600 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.959 6.935 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.377 7.557 11.714 119 HD2 LYS 13 HD2 LYS 13 -3.693 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.592 12.874 121 HE2 LYS 13 HE2 LYS 13 -2.555 8.607 13.064 122 HE3 LYS 13 HE3 LYS 13 -1.716 7.611 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.248 6.820 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.244 8.477 12.534 125 HZ3 LYS 13 HZ3 LYS 13 -1.079 7.620 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.705 -2.556 8.025 132 HB3 GLU 15 HB3 GLU 15 -4.674 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -3.182 -3.181 8.493 134 HG3 GLU 15 HG3 GLU 15 -2.892 -1.591 7.749 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -6.983 -2.183 1.174 138 HG1 THR 16 HG1 THR 16 -5.179 -1.031 1.153 139 HG21 THR 16 HG21 THR 16 -8.739 -1.568 2.926 140 HG22 THR 16 HG22 THR 16 -8.436 -0.418 1.624 141 HG23 THR 16 HG23 THR 16 -7.757 -0.135 3.226 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.922 -6.913 2.780 145 HG1 THR 17 HG1 THR 17 -5.174 -8.180 0.345 146 HG21 THR 17 HG21 THR 17 -7.833 -7.999 2.197 147 HG22 THR 17 HG22 THR 17 -7.437 -8.024 0.478 148 HG23 THR 17 HG23 THR 17 -8.021 -6.539 1.226 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.091 -4.536 -3.123 152 HG1 THR 18 HG1 THR 18 -6.413 -5.115 -4.769 153 HG21 THR 18 HG21 THR 18 -3.251 -6.151 -4.757 154 HG22 THR 18 HG22 THR 18 -2.961 -6.184 -3.017 155 HG23 THR 18 HG23 THR 18 -2.982 -4.646 -3.880 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.754 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.603 -5.462 160 HG2 LYS 19 HG2 LYS 19 -6.682 -10.381 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.017 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.511 -12.598 -3.221 163 HD3 LYS 19 HD3 LYS 19 -7.075 -12.650 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.329 165 HE3 LYS 19 HE3 LYS 19 -6.487 -14.437 -4.208 166 HZ1 LYS 19 HZ1 LYS 19 -8.737 -13.814 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.709 -14.829 -4.402 168 HZ3 LYS 19 HZ3 LYS 19 -9.122 -13.234 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.215 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.226 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.491 -10.880 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.790 -10.669 -11.434 180 HG21 VAL 21 HG21 VAL 21 2.147 -12.957 -11.079 181 HG22 VAL 21 HG22 VAL 21 0.889 -13.527 -12.177 182 HG23 VAL 21 HG23 VAL 21 0.877 -14.028 -10.485 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.603 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.326 -10.821 -9.943 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.725 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.696 -3.947 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.650 -3.789 -9.016 197 HG3 GLU 24 HG3 GLU 24 7.755 -5.561 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.797 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.902 -7.106 -11.647 202 HG21 THR 25 HG21 THR 25 -0.732 -4.607 -11.364 203 HG22 THR 25 HG22 THR 25 -1.272 -5.684 -10.077 204 HG23 THR 25 HG23 THR 25 -0.985 -6.320 -11.697 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.774 -5.972 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.205 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.570 215 HG3 GLU 27 HG3 GLU 27 4.528 0.427 -5.115 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.044 -0.939 -10.629 219 HB3 LYS 28 HB3 LYS 28 -0.024 0.743 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.389 0.738 -11.282 221 HG3 LYS 28 HG3 LYS 28 2.446 -0.893 -10.568 222 HD2 LYS 28 HD2 LYS 28 1.654 -1.908 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.900 -0.411 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.013 0.515 -13.700 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.758 -12.822 226 HZ1 LYS 28 HZ1 LYS 28 3.022 -2.356 -14.428 227 HZ2 LYS 28 HZ2 LYS 28 3.917 -1.178 -15.178 228 HZ3 LYS 28 HZ3 LYS 28 2.261 -1.138 -15.263 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.016 -3.683 237 HB3 PHE 30 HB3 PHE 30 -0.681 0.819 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.433 -2.030 239 HD2 PHE 30 HD2 PHE 30 0.464 -2.174 -3.126 240 HE1 PHE 30 HE1 PHE 30 -4.040 -2.614 -1.193 241 HE2 PHE 30 HE2 PHE 30 -0.307 -4.356 -2.293 242 HZ PHE 30 HZ PHE 30 -2.561 -4.578 -1.322 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.594 3.711 -7.269 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.738 247 HG2 LYS 31 HG2 LYS 31 2.105 4.270 -4.754 248 HG3 LYS 31 HG3 LYS 31 2.355 3.009 -5.987 249 HD2 LYS 31 HD2 LYS 31 3.122 4.816 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.050 5.953 -6.187 251 HE2 LYS 31 HE2 LYS 31 4.850 4.997 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.577 3.400 -5.855 253 HZ1 LYS 31 HZ1 LYS 31 5.561 5.759 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.197 -7.899 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.589 -6.706 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.784 3.999 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.506 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.368 4.691 -7.668 261 HG3 GLN 32 HG3 GLN 32 -5.702 5.348 -9.181 262 HE21 GLN 32 HE21 GLN 32 -7.817 4.859 -10.052 263 HE22 GLN 32 HE22 GLN 32 -8.149 3.185 -10.619 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.027 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.535 -2.831 268 HD1 TYR 33 HD2 TYR 33 -5.154 3.826 -0.695 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.558 -2.754 270 HE1 TYR 33 HE2 TYR 33 -6.531 3.780 1.342 271 HE2 TYR 33 HE1 TYR 33 -9.492 1.507 -0.723 272 HH TYR 33 HH TYR 33 -8.646 1.842 2.094 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.432 8.931 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.068 8.441 -6.386 282 HD21 ASN 35 HD21 ASN 35 -1.685 10.638 -6.876 283 HD22 ASN 35 HD22 ASN 35 -2.671 12.011 -7.488 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.433 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.700 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.852 7.529 0.043 291 HB3 ASN 37 HB3 ASN 37 -7.760 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.926 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.595 5.605 -1.066 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.628 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.346 8.889 3.697 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.083 2.242 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.517 2.618 303 HG21 VAL 39 HG21 VAL 39 -3.983 7.943 3.008 304 HG22 VAL 39 HG22 VAL 39 -4.525 9.461 2.290 305 HG23 VAL 39 HG23 VAL 39 -3.477 9.480 3.706 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.263 12.991 -0.259 309 HB3 ASP 40 HB3 ASP 40 2.016 13.116 -0.001 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.702 3.441 316 HG11 VAL 42 HG11 VAL 42 9.233 5.746 2.250 317 HG12 VAL 42 HG12 VAL 42 10.397 6.798 3.057 318 HG13 VAL 42 HG13 VAL 42 10.195 6.886 1.308 319 HG21 VAL 42 HG21 VAL 42 10.229 9.171 2.564 320 HG22 VAL 42 HG22 VAL 42 8.640 9.874 2.864 321 HG23 VAL 42 HG23 VAL 42 9.130 9.470 1.221 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.437 3.981 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.574 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.940 6.245 -1.918 327 HE1 TRP 43 HE1 TRP 43 3.424 6.593 -2.450 328 HE3 TRP 43 HE3 TRP 43 4.303 1.515 -0.886 329 HZ2 TRP 43 HZ2 TRP 43 1.082 5.004 -2.412 330 HZ3 TRP 43 HZ3 TRP 43 1.912 1.008 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.335 2.717 -1.904 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.668 -0.140 3.543 335 HG1 THR 44 HG1 THR 44 7.535 1.698 3.896 336 HG21 THR 44 HG21 THR 44 10.942 1.892 2.838 337 HG22 THR 44 HG22 THR 44 10.576 1.795 4.561 338 HG23 THR 44 HG23 THR 44 9.640 2.869 3.521 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.673 -2.549 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.128 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.137 -4.590 0.443 344 HD2 TYR 45 HD2 TYR 45 9.500 -5.034 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.395 -6.863 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.767 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.349 -9.111 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.868 -5.221 5.112 351 HB3 ASP 46 HB3 ASP 46 7.470 -6.217 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.012 -9.865 -0.944 355 HB3 ASP 47 HB3 ASP 47 11.003 -8.627 -0.141 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.394 364 HG1 THR 49 HG1 THR 49 6.498 -8.118 5.544 365 HG21 THR 49 HG21 THR 49 5.377 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.117 7.526 367 HG23 THR 49 HG23 THR 49 6.527 -10.823 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.677 -10.524 1.636 371 HB3 LYS 50 HB3 LYS 50 2.796 -9.750 0.044 372 HG2 LYS 50 HG2 LYS 50 4.883 -11.694 1.023 373 HG3 LYS 50 HG3 LYS 50 3.389 -12.236 0.218 374 HD2 LYS 50 HD2 LYS 50 4.003 -10.616 -1.660 375 HD3 LYS 50 HD3 LYS 50 5.605 -10.499 -0.890 376 HE2 LYS 50 HE2 LYS 50 6.189 -12.629 -1.467 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.232 -1.379 378 HZ1 LYS 50 HZ1 LYS 50 4.059 -12.221 -3.478 379 HZ2 LYS 50 HZ2 LYS 50 5.428 -13.143 -3.650 380 HZ3 LYS 50 HZ3 LYS 50 5.549 -11.492 -3.540 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.488 -5.930 4.985 384 HG1 THR 51 HG1 THR 51 1.823 -6.884 4.749 385 HG21 THR 51 HG21 THR 51 3.352 -3.703 4.780 386 HG22 THR 51 HG22 THR 51 3.062 -4.562 6.293 387 HG23 THR 51 HG23 THR 51 1.820 -4.538 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.042 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.348 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.122 -4.109 -0.743 394 HE1 PHE 52 HE2 PHE 52 6.141 -2.596 -3.146 395 HE2 PHE 52 HE1 PHE 52 2.924 -5.361 -2.704 396 HZ PHE 52 HZ PHE 52 4.936 -4.604 -3.908 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.609 5.228 400 HG1 THR 53 HG1 THR 53 5.337 -1.373 5.808 401 HG21 THR 53 HG21 THR 53 5.301 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.793 1.018 7.333 403 HG23 THR 53 HG23 THR 53 3.834 2.297 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.367 4.027 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.605 2.081 408 HG12 VAL 54 HG12 VAL 54 0.662 5.273 3.628 409 HG13 VAL 54 HG13 VAL 54 0.753 3.535 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.407 411 HG22 VAL 54 HG22 VAL 54 3.358 6.137 1.232 412 HG23 VAL 54 HG23 VAL 54 2.729 6.716 2.775 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.487 6.408 416 HG1 THR 55 HG1 THR 55 4.822 4.764 7.958 417 HG21 THR 55 HG21 THR 55 4.969 6.787 8.989 418 HG22 THR 55 HG22 THR 55 5.624 8.147 8.078 419 HG23 THR 55 HG23 THR 55 6.705 6.906 8.708 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.432 10.214 5.202 423 HB3 GLU 56 HB3 GLU 56 1.534 10.676 6.911 424 HG2 GLU 56 HG2 GLU 56 2.636 12.856 5.880 425 HG3 GLU 56 HG3 GLU 56 1.695 12.353 4.456 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.668 -3.953 6 HB3 MET 1 HB3 MET 1 0.868 -13.560 -2.422 7 HG2 MET 1 HG2 MET 1 0.978 -15.679 -3.875 8 HG3 MET 1 HG3 MET 1 1.494 -14.589 -5.183 9 HE1 MET 1 HE1 MET 1 3.667 -16.311 -1.725 10 HE2 MET 1 HE2 MET 1 1.929 -16.050 -1.874 11 HE3 MET 1 HE3 MET 1 2.942 -14.829 -1.104 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.950 -12.922 0.406 15 HB3 GLN 2 HB3 GLN 2 -3.274 -11.242 0.877 16 HG2 GLN 2 HG2 GLN 2 -5.291 -11.172 -0.270 17 HG3 GLN 2 HG3 GLN 2 -4.862 -12.546 -1.316 18 HE21 GLN 2 HE21 GLN 2 -7.292 -12.268 0.097 19 HE22 GLN 2 HE22 GLN 2 -7.361 -13.589 1.315 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.903 -2.051 23 HB3 TYR 3 HB3 TYR 3 0.580 -6.529 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.774 -9.200 -3.267 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.331 -1.626 26 HE1 TYR 3 HE1 TYR 3 0.655 -10.559 -4.734 27 HE2 TYR 3 HE2 TYR 3 4.117 -8.686 -3.092 28 HH TYR 3 HH TYR 3 3.952 -9.915 -5.211 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.166 -6.409 4.154 32 HB3 LYS 4 HB3 LYS 4 -1.560 -5.435 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.047 -7.313 3.936 34 HG3 LYS 4 HG3 LYS 4 -1.584 -8.286 3.644 35 HD2 LYS 4 HD2 LYS 4 -2.253 -6.987 6.301 36 HD3 LYS 4 HD3 LYS 4 -2.679 -8.665 5.879 37 HE2 LYS 4 HE2 LYS 4 -0.371 -9.267 5.647 38 HE3 LYS 4 HE3 LYS 4 0.144 -7.569 5.792 39 HZ1 LYS 4 HZ1 LYS 4 -0.182 -7.593 8.029 40 HZ2 LYS 4 HZ2 LYS 4 0.210 -9.191 7.825 41 HZ3 LYS 4 HZ3 LYS 4 -1.378 -8.745 7.990 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.416 -1.401 0.635 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.153 1.688 46 HG LEU 5 HG LEU 5 -1.559 0.812 2.704 47 HD11 LEU 5 HD11 LEU 5 0.683 0.322 2.054 48 HD12 LEU 5 HD12 LEU 5 0.194 1.787 1.204 49 HD13 LEU 5 HD13 LEU 5 0.240 0.245 0.349 50 HD21 LEU 5 HD21 LEU 5 -2.266 2.307 0.996 51 HD22 LEU 5 HD22 LEU 5 -3.378 0.938 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.110 1.070 -0.251 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.391 6.829 56 HG11 VAL 6 HG11 VAL 6 0.914 0.132 9.081 57 HG12 VAL 6 HG12 VAL 6 -0.817 -0.182 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.120 1.248 8.188 59 HG21 VAL 6 HG21 VAL 6 -0.882 -2.364 7.367 60 HG22 VAL 6 HG22 VAL 6 0.537 -2.306 8.413 61 HG23 VAL 6 HG23 VAL 6 0.725 -2.625 6.689 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.982 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.131 3.930 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.913 2.521 3.981 67 HG21 ILE 7 HG21 ILE 7 -3.201 6.096 4.425 68 HG22 ILE 7 HG22 ILE 7 -1.529 5.985 4.976 69 HG23 ILE 7 HG23 ILE 7 -2.834 6.166 6.147 70 HD11 ILE 7 HD11 ILE 7 -4.341 3.569 2.310 71 HD12 ILE 7 HD12 ILE 7 -4.283 5.093 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.057 3.681 3.918 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.335 76 HB3 ASN 8 HB3 ASN 8 2.396 5.346 8.657 77 HD21 ASN 8 HD21 ASN 8 3.102 3.960 11.028 78 HD22 ASN 8 HD22 ASN 8 2.913 5.118 12.391 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.156 13.601 8.998 85 HB3 LYS 10 HB3 LYS 10 -1.864 13.925 8.638 86 HG2 LYS 10 HG2 LYS 10 -2.182 15.151 10.541 87 HG3 LYS 10 HG3 LYS 10 -0.944 14.258 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.025 16.403 11.120 89 HD3 LYS 10 HD3 LYS 10 0.765 15.365 9.907 90 HE2 LYS 10 HE2 LYS 10 -0.621 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.695 17.030 9.317 92 HZ1 LYS 10 HZ1 LYS 10 1.058 17.757 8.551 93 HZ2 LYS 10 HZ2 LYS 10 0.359 18.345 9.936 94 HZ3 LYS 10 HZ3 LYS 10 -0.318 18.682 8.460 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.200 8.942 98 HG1 THR 11 HG1 THR 11 -6.364 13.486 6.977 99 HG21 THR 11 HG21 THR 11 -4.533 14.723 9.645 100 HG22 THR 11 HG22 THR 11 -6.109 14.775 10.435 101 HG23 THR 11 HG23 THR 11 -5.909 15.452 8.819 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.904 9.385 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.284 8.717 6.071 106 HG LEU 12 HG LEU 12 -6.179 6.435 6.416 107 HD11 LEU 12 HD11 LEU 12 -8.050 7.043 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.572 6.059 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.876 7.796 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.006 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.363 6.277 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.048 7.443 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.480 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.899 4.601 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.960 6.936 10.835 118 HG3 LYS 13 HG3 LYS 13 -4.378 7.557 11.715 119 HD2 LYS 13 HD2 LYS 13 -3.694 6.435 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.593 12.874 121 HE2 LYS 13 HE2 LYS 13 -2.557 8.608 13.065 122 HE3 LYS 13 HE3 LYS 13 -1.717 7.612 14.277 123 HZ1 LYS 13 HZ1 LYS 13 -0.249 6.822 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.246 8.479 12.534 125 HZ3 LYS 13 HZ3 LYS 13 -1.080 7.622 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -4.738 -3.304 6.787 132 HB3 GLU 15 HB3 GLU 15 -3.898 -2.222 7.916 133 HG2 GLU 15 HG2 GLU 15 -6.139 -1.686 8.921 134 HG3 GLU 15 HG3 GLU 15 -6.826 -2.974 7.906 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.278 -0.835 2.610 138 HG1 THR 16 HG1 THR 16 -8.572 -2.131 1.502 139 HG21 THR 16 HG21 THR 16 -4.801 -0.845 1.982 140 HG22 THR 16 HG22 THR 16 -5.944 -0.174 0.819 141 HG23 THR 16 HG23 THR 16 -5.289 -1.793 0.578 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.466 -7.856 1.229 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.896 146 HG21 THR 17 HG21 THR 17 -5.537 -8.088 3.490 147 HG22 THR 17 HG22 THR 17 -6.539 -6.655 3.726 148 HG23 THR 17 HG23 THR 17 -4.818 -6.481 3.385 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.093 -4.536 -3.124 152 HG1 THR 18 HG1 THR 18 -6.412 -5.117 -4.772 153 HG21 THR 18 HG21 THR 18 -3.249 -6.150 -4.755 154 HG22 THR 18 HG22 THR 18 -2.961 -6.182 -3.014 155 HG23 THR 18 HG23 THR 18 -2.982 -4.644 -3.878 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.753 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.603 -5.463 160 HG2 LYS 19 HG2 LYS 19 -6.681 -10.382 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.017 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.510 -12.599 -3.222 163 HD3 LYS 19 HD3 LYS 19 -7.073 -12.652 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.330 165 HE3 LYS 19 HE3 LYS 19 -6.486 -14.438 -4.210 166 HZ1 LYS 19 HZ1 LYS 19 -8.736 -13.816 -3.090 167 HZ2 LYS 19 HZ2 LYS 19 -8.708 -14.830 -4.403 168 HZ3 LYS 19 HZ3 LYS 19 -9.121 -13.235 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.970 -12.793 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.471 -13.262 -10.589 178 HG12 VAL 21 HG12 VAL 21 -1.066 -12.865 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.817 -11.652 -11.223 180 HG21 VAL 21 HG21 VAL 21 -0.152 -10.032 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.871 -10.998 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.535 -10.324 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.357 -9.606 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.324 -10.820 -9.945 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.724 -5.694 -10.348 195 HB3 GLU 24 HB3 GLU 24 5.697 -3.946 -10.649 196 HG2 GLU 24 HG2 GLU 24 7.651 -3.793 -9.015 197 HG3 GLU 24 HG3 GLU 24 7.753 -5.564 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.799 -6.738 -9.910 201 HG1 THR 25 HG1 THR 25 1.901 -7.104 -11.650 202 HG21 THR 25 HG21 THR 25 -0.735 -4.607 -11.361 203 HG22 THR 25 HG22 THR 25 -1.272 -5.686 -10.073 204 HG23 THR 25 HG23 THR 25 -0.986 -6.321 -11.694 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.775 -5.973 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.204 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.567 215 HG3 GLU 27 HG3 GLU 27 4.529 0.424 -5.113 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.041 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.027 0.741 -11.194 220 HG2 LYS 28 HG2 LYS 28 2.386 0.744 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.449 -0.887 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.658 -1.905 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.008 0.523 -13.703 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.747 -12.826 226 HZ1 LYS 28 HZ1 LYS 28 3.026 -2.347 -14.431 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.166 -15.182 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.132 -15.265 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.062 0.019 -3.681 237 HB3 PHE 30 HB3 PHE 30 -0.684 0.817 -2.280 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.442 -2.036 239 HD2 PHE 30 HD2 PHE 30 0.469 -2.171 -3.130 240 HE1 PHE 30 HE1 PHE 30 -4.037 -2.627 -1.206 241 HE2 PHE 30 HE2 PHE 30 -0.297 -4.357 -2.305 242 HZ PHE 30 HZ PHE 30 -2.553 -4.587 -1.338 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.594 3.712 -7.270 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.737 247 HG2 LYS 31 HG2 LYS 31 2.105 4.267 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.354 3.007 -5.988 249 HD2 LYS 31 HD2 LYS 31 3.123 4.815 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.051 5.951 -6.186 251 HE2 LYS 31 HE2 LYS 31 4.851 4.992 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.576 3.397 -5.857 253 HZ1 LYS 31 HZ1 LYS 31 5.562 5.756 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.195 -7.900 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.584 -6.707 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.784 3.998 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.508 2.933 -7.834 260 HG2 GLN 32 HG2 GLN 32 -6.451 4.437 -7.693 261 HG3 GLN 32 HG3 GLN 32 -5.725 5.474 -8.944 262 HE21 GLN 32 HE21 GLN 32 -8.240 4.422 -9.262 263 HE22 GLN 32 HE22 GLN 32 -8.194 3.181 -10.563 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.027 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.536 -2.831 268 HD1 TYR 33 HD2 TYR 33 -5.154 3.826 -0.695 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.558 -2.754 270 HE1 TYR 33 HE2 TYR 33 -6.532 3.780 1.342 271 HE2 TYR 33 HE1 TYR 33 -9.493 1.507 -0.723 272 HH TYR 33 HH TYR 33 -8.646 1.842 2.093 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.858 8.281 -6.318 281 HB3 ASN 35 HB3 ASN 35 -3.905 10.056 -6.373 282 HD21 ASN 35 HD21 ASN 35 -2.161 8.873 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.048 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.267 6.766 -4.431 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.836 -4.702 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.851 7.530 0.045 291 HB3 ASN 37 HB3 ASN 37 -7.762 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.921 6.183 -1.402 293 HD22 ASN 37 HD22 ASN 37 -9.590 5.604 -1.068 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.631 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.341 8.887 3.694 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.080 2.236 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.515 2.613 303 HG21 VAL 39 HG21 VAL 39 -3.981 7.945 3.012 304 HG22 VAL 39 HG22 VAL 39 -4.523 9.463 2.296 305 HG23 VAL 39 HG23 VAL 39 -3.471 9.481 3.709 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.263 12.992 -0.258 309 HB3 ASP 40 HB3 ASP 40 2.017 13.116 -0.002 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.225 7.700 3.441 316 HG11 VAL 42 HG11 VAL 42 9.236 5.748 2.246 317 HG12 VAL 42 HG12 VAL 42 10.398 6.800 3.054 318 HG13 VAL 42 HG13 VAL 42 10.196 6.890 1.306 319 HG21 VAL 42 HG21 VAL 42 10.227 9.173 2.566 320 HG22 VAL 42 HG22 VAL 42 8.637 9.873 2.868 321 HG23 VAL 42 HG23 VAL 42 9.127 9.473 1.223 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.577 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.934 6.244 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.417 6.586 -2.447 328 HE3 TRP 43 HE3 TRP 43 4.307 1.509 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.078 4.992 -2.408 330 HZ3 TRP 43 HZ3 TRP 43 1.918 0.997 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.337 2.703 -1.902 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.667 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.537 1.701 3.896 336 HG21 THR 44 HG21 THR 44 10.944 1.889 2.838 337 HG22 THR 44 HG22 THR 44 10.578 1.794 4.561 338 HG23 THR 44 HG23 THR 44 9.644 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.673 -2.549 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.129 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.136 -4.589 0.443 344 HD2 TYR 45 HD2 TYR 45 9.499 -5.034 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.393 -6.861 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.765 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.345 -9.110 -1.640 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.867 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.470 -6.218 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.705 -8.632 -0.544 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.851 0.649 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.514 6.395 364 HG1 THR 49 HG1 THR 49 6.497 -8.117 5.543 365 HG21 THR 49 HG21 THR 49 5.379 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.772 -9.115 7.525 367 HG23 THR 49 HG23 THR 49 6.529 -10.822 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.525 1.637 371 HB3 LYS 50 HB3 LYS 50 2.795 -9.749 0.045 372 HG2 LYS 50 HG2 LYS 50 4.884 -11.693 1.020 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.216 374 HD2 LYS 50 HD2 LYS 50 4.000 -10.612 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.603 -10.495 -0.893 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.624 -1.474 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.228 -1.384 378 HZ1 LYS 50 HZ1 LYS 50 4.054 -12.216 -3.481 379 HZ2 LYS 50 HZ2 LYS 50 5.424 -13.136 -3.657 380 HZ3 LYS 50 HZ3 LYS 50 5.544 -11.485 -3.545 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.929 4.985 384 HG1 THR 51 HG1 THR 51 1.824 -6.885 4.749 385 HG21 THR 51 HG21 THR 51 3.349 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.061 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.818 -4.539 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.043 0.448 391 HB3 PHE 52 HB3 PHE 52 3.371 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.344 -1.182 393 HD2 PHE 52 HD1 PHE 52 2.125 -4.110 -0.745 394 HE1 PHE 52 HE2 PHE 52 6.143 -2.589 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.931 -5.359 -2.706 396 HZ PHE 52 HZ PHE 52 4.942 -4.599 -3.909 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.608 5.228 400 HG1 THR 53 HG1 THR 53 5.336 -1.374 5.809 401 HG21 THR 53 HG21 THR 53 5.302 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.794 1.019 7.332 403 HG23 THR 53 HG23 THR 53 3.835 2.297 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.367 4.027 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.605 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.272 3.628 409 HG13 VAL 54 HG13 VAL 54 0.753 3.535 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.407 411 HG22 VAL 54 HG22 VAL 54 3.358 6.137 1.232 412 HG23 VAL 54 HG23 VAL 54 2.729 6.716 2.775 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.489 6.409 416 HG1 THR 55 HG1 THR 55 4.824 4.762 7.955 417 HG21 THR 55 HG21 THR 55 4.967 6.783 8.990 418 HG22 THR 55 HG22 THR 55 5.621 8.145 8.081 419 HG23 THR 55 HG23 THR 55 6.703 6.904 8.710 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.454 10.416 6.791 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.972 424 HG2 GLU 56 HG2 GLU 56 1.782 10.704 3.801 425 HG3 GLU 56 HG3 GLU 56 1.151 9.296 4.686 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 1.156 -14.252 -4.200 6 HB3 MET 1 HB3 MET 1 0.904 -12.569 -3.698 7 HG2 MET 1 HG2 MET 1 2.165 -13.597 -1.989 8 HG3 MET 1 HG3 MET 1 0.508 -13.440 -1.361 9 HE1 MET 1 HE1 MET 1 2.988 -17.033 -2.370 10 HE2 MET 1 HE2 MET 1 2.985 -15.469 -3.186 11 HE3 MET 1 HE3 MET 1 1.911 -16.754 -3.738 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.951 -12.923 0.406 15 HB3 GLN 2 HB3 GLN 2 -3.273 -11.242 0.877 16 HG2 GLN 2 HG2 GLN 2 -5.291 -11.171 -0.270 17 HG3 GLN 2 HG3 GLN 2 -4.862 -12.545 -1.316 18 HE21 GLN 2 HE21 GLN 2 -7.292 -12.266 0.098 19 HE22 GLN 2 HE22 GLN 2 -7.361 -13.587 1.315 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.904 -2.051 23 HB3 TYR 3 HB3 TYR 3 0.579 -6.528 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.772 -9.201 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.329 -1.625 26 HE1 TYR 3 HE1 TYR 3 0.658 -10.560 -4.733 27 HE2 TYR 3 HE2 TYR 3 4.118 -8.684 -3.090 28 HH TYR 3 HH TYR 3 3.955 -9.914 -5.209 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.651 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.260 4.207 33 HG2 LYS 4 HG2 LYS 4 -1.559 -4.302 4.886 34 HG3 LYS 4 HG3 LYS 4 -2.978 -5.378 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.487 -5.889 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.932 -5.049 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.995 6.796 38 HE3 LYS 4 HE3 LYS 4 -1.982 -7.827 5.924 39 HZ1 LYS 4 HZ1 LYS 4 -0.892 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.278 8.445 41 HZ3 LYS 4 HZ3 LYS 4 -1.477 -6.947 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.418 -1.403 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.152 1.689 46 HG LEU 5 HG LEU 5 -1.556 0.813 2.703 47 HD11 LEU 5 HD11 LEU 5 0.685 0.319 2.050 48 HD12 LEU 5 HD12 LEU 5 0.197 1.784 1.199 49 HD13 LEU 5 HD13 LEU 5 0.240 0.242 0.346 50 HD21 LEU 5 HD21 LEU 5 -2.262 2.307 0.994 51 HD22 LEU 5 HD22 LEU 5 -3.376 0.940 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.069 -0.252 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.389 6.830 56 HG11 VAL 6 HG11 VAL 6 0.912 0.131 9.082 57 HG12 VAL 6 HG12 VAL 6 -0.818 -0.187 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.124 1.245 8.191 59 HG21 VAL 6 HG21 VAL 6 -0.879 -2.367 7.363 60 HG22 VAL 6 HG22 VAL 6 0.539 -2.307 8.411 61 HG23 VAL 6 HG23 VAL 6 0.729 -2.624 6.686 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.983 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.132 3.928 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.914 2.520 3.982 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.096 4.424 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.984 4.974 69 HG23 ILE 7 HG23 ILE 7 -2.833 6.166 6.146 70 HD11 ILE 7 HD11 ILE 7 -4.342 3.567 2.311 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.092 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.057 3.681 3.919 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.334 76 HB3 ASN 8 HB3 ASN 8 2.396 5.347 8.657 77 HD21 ASN 8 HD21 ASN 8 1.697 3.647 11.427 78 HD22 ASN 8 HD22 ASN 8 2.067 4.930 12.631 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.711 13.836 8.502 85 HB3 LYS 10 HB3 LYS 10 -1.446 14.382 10.171 86 HG2 LYS 10 HG2 LYS 10 0.722 12.856 8.774 87 HG3 LYS 10 HG3 LYS 10 0.454 14.569 8.371 88 HD2 LYS 10 HD2 LYS 10 0.828 13.548 11.201 89 HD3 LYS 10 HD3 LYS 10 2.163 14.133 10.177 90 HE2 LYS 10 HE2 LYS 10 1.420 16.078 10.020 91 HE3 LYS 10 HE3 LYS 10 -0.240 16.023 10.660 92 HZ1 LYS 10 HZ1 LYS 10 2.296 15.948 12.162 93 HZ2 LYS 10 HZ2 LYS 10 0.868 15.458 12.847 94 HZ3 LYS 10 HZ3 LYS 10 1.036 17.019 12.315 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.201 8.944 98 HG1 THR 11 HG1 THR 11 -6.367 13.485 6.977 99 HG21 THR 11 HG21 THR 11 -4.530 14.723 9.642 100 HG22 THR 11 HG22 THR 11 -6.106 14.776 10.434 101 HG23 THR 11 HG23 THR 11 -5.907 15.452 8.817 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.904 9.385 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.284 8.717 6.071 106 HG LEU 12 HG LEU 12 -6.179 6.435 6.416 107 HD11 LEU 12 HD11 LEU 12 -8.049 7.043 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.571 6.059 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.876 7.796 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.006 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.363 6.277 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.048 7.443 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.483 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.902 4.599 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.955 6.930 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.371 7.557 11.713 119 HD2 LYS 13 HD2 LYS 13 -3.691 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.587 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.546 8.602 13.063 122 HE3 LYS 13 HE3 LYS 13 -1.710 7.605 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.244 6.809 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.236 8.466 12.533 125 HZ3 LYS 13 HZ3 LYS 13 -1.073 7.610 11.385 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.706 -2.558 8.023 132 HB3 GLU 15 HB3 GLU 15 -4.672 -3.291 6.781 133 HG2 GLU 15 HG2 GLU 15 -3.144 -3.171 8.441 134 HG3 GLU 15 HG3 GLU 15 -2.923 -1.534 7.782 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -6.984 -2.183 1.175 138 HG1 THR 16 HG1 THR 16 -5.179 -1.033 1.151 139 HG21 THR 16 HG21 THR 16 -8.738 -1.565 2.928 140 HG22 THR 16 HG22 THR 16 -8.435 -0.416 1.625 141 HG23 THR 16 HG23 THR 16 -7.754 -0.133 3.227 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.466 -7.856 1.229 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.896 146 HG21 THR 17 HG21 THR 17 -5.537 -8.088 3.490 147 HG22 THR 17 HG22 THR 17 -6.539 -6.655 3.726 148 HG23 THR 17 HG23 THR 17 -4.818 -6.481 3.385 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.094 -4.536 -3.124 152 HG1 THR 18 HG1 THR 18 -6.411 -5.119 -4.773 153 HG21 THR 18 HG21 THR 18 -3.248 -6.149 -4.753 154 HG22 THR 18 HG22 THR 18 -2.961 -6.180 -3.013 155 HG23 THR 18 HG23 THR 18 -2.982 -4.643 -3.877 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.754 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.603 -5.462 160 HG2 LYS 19 HG2 LYS 19 -6.682 -10.380 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.016 -4.073 162 HD2 LYS 19 HD2 LYS 19 -5.512 -12.597 -3.220 163 HD3 LYS 19 HD3 LYS 19 -7.076 -12.649 -2.368 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.146 -5.329 165 HE3 LYS 19 HE3 LYS 19 -6.487 -14.437 -4.206 166 HZ1 LYS 19 HZ1 LYS 19 -8.738 -13.813 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.709 -14.828 -4.401 168 HZ3 LYS 19 HZ3 LYS 19 -9.122 -13.234 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.973 -12.790 -11.040 177 HG11 VAL 21 HG11 VAL 21 -1.466 -13.268 -10.588 178 HG12 VAL 21 HG12 VAL 21 -1.064 -12.870 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.819 -11.660 -11.221 180 HG21 VAL 21 HG21 VAL 21 -0.159 -10.034 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.866 -10.996 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.529 -10.319 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.602 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.327 -10.821 -9.943 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 6.964 -4.982 -9.617 195 HB3 GLU 24 HB3 GLU 24 5.531 -5.537 -10.504 196 HG2 GLU 24 HG2 GLU 24 5.027 -3.071 -10.922 197 HG3 GLU 24 HG3 GLU 24 6.678 -2.753 -10.339 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.798 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.106 -11.648 202 HG21 THR 25 HG21 THR 25 -0.733 -4.607 -11.363 203 HG22 THR 25 HG22 THR 25 -1.272 -5.684 -10.076 204 HG23 THR 25 HG23 THR 25 -0.985 -6.321 -11.696 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.775 -5.973 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.204 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.567 215 HG3 GLU 27 HG3 GLU 27 4.529 0.425 -5.114 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.041 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.027 0.741 -11.194 220 HG2 LYS 28 HG2 LYS 28 2.386 0.744 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.449 -0.887 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.658 -1.905 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.008 0.523 -13.703 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.747 -12.826 226 HZ1 LYS 28 HZ1 LYS 28 3.025 -2.348 -14.431 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.167 -15.182 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.132 -15.265 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.060 0.015 -3.683 237 HB3 PHE 30 HB3 PHE 30 -0.680 0.819 -2.283 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.431 -2.028 239 HD2 PHE 30 HD2 PHE 30 0.462 -2.175 -3.125 240 HE1 PHE 30 HE1 PHE 30 -4.041 -2.610 -1.189 241 HE2 PHE 30 HE2 PHE 30 -0.310 -4.355 -2.290 242 HZ PHE 30 HZ PHE 30 -2.563 -4.575 -1.318 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.594 3.711 -7.269 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.737 247 HG2 LYS 31 HG2 LYS 31 2.105 4.269 -4.754 248 HG3 LYS 31 HG3 LYS 31 2.355 3.008 -5.987 249 HD2 LYS 31 HD2 LYS 31 3.122 4.816 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.050 5.953 -6.187 251 HE2 LYS 31 HE2 LYS 31 4.850 4.996 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.577 3.400 -5.856 253 HZ1 LYS 31 HZ1 LYS 31 5.561 5.758 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.197 -7.899 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.588 -6.706 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.784 3.999 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.506 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.501 4.237 -7.758 261 HG3 GLN 32 HG3 GLN 32 -5.766 5.527 -8.738 262 HE21 GLN 32 HE21 GLN 32 -6.135 5.528 -10.837 263 HE22 GLN 32 HE22 GLN 32 -6.748 4.125 -11.779 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.026 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.536 -2.830 268 HD1 TYR 33 HD2 TYR 33 -5.156 3.826 -0.695 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.557 -2.756 270 HE1 TYR 33 HE2 TYR 33 -6.535 3.779 1.341 271 HE2 TYR 33 HE1 TYR 33 -9.494 1.506 -0.726 272 HH TYR 33 HH TYR 33 -8.649 1.841 2.091 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.433 8.928 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.070 8.442 -6.387 282 HD21 ASN 35 HD21 ASN 35 -3.487 9.619 -8.343 283 HD22 ASN 35 HD22 ASN 35 -3.756 11.396 -8.374 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.265 6.765 -4.434 287 HB3 ASP 36 HB3 ASP 36 -9.659 7.834 -4.698 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.042 291 HB3 ASN 37 HB3 ASN 37 -7.758 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.930 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.600 5.608 -1.063 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.631 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.342 8.887 3.694 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.080 2.238 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.614 303 HG21 VAL 39 HG21 VAL 39 -3.981 7.944 3.011 304 HG22 VAL 39 HG22 VAL 39 -4.523 9.463 2.294 305 HG23 VAL 39 HG23 VAL 39 -3.472 9.481 3.709 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.398 12.552 -1.144 309 HB3 ASP 40 HB3 ASP 40 1.087 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.702 3.441 316 HG11 VAL 42 HG11 VAL 42 9.234 5.746 2.249 317 HG12 VAL 42 HG12 VAL 42 10.397 6.799 3.057 318 HG13 VAL 42 HG13 VAL 42 10.195 6.886 1.308 319 HG21 VAL 42 HG21 VAL 42 10.229 9.172 2.564 320 HG22 VAL 42 HG22 VAL 42 8.639 9.874 2.865 321 HG23 VAL 42 HG23 VAL 42 9.129 9.471 1.221 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.577 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.934 6.244 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.417 6.587 -2.447 328 HE3 TRP 43 HE3 TRP 43 4.307 1.509 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.078 4.992 -2.409 330 HZ3 TRP 43 HZ3 TRP 43 1.918 0.997 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.337 2.704 -1.902 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.664 -0.142 3.545 335 HG1 THR 44 HG1 THR 44 7.539 1.705 3.895 336 HG21 THR 44 HG21 THR 44 10.946 1.885 2.837 337 HG22 THR 44 HG22 THR 44 10.580 1.792 4.560 338 HG23 THR 44 HG23 THR 44 9.648 2.868 3.518 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.673 -2.550 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.128 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.138 -4.591 0.443 344 HD2 TYR 45 HD2 TYR 45 9.500 -5.033 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.397 -6.865 -0.128 346 HE2 TYR 45 HE2 TYR 45 8.769 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.351 -9.112 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.866 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.219 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.704 -8.632 -0.545 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.849 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.169 -9.516 6.397 364 HG1 THR 49 HG1 THR 49 6.492 -8.114 5.539 365 HG21 THR 49 HG21 THR 49 5.385 -9.970 8.185 366 HG22 THR 49 HG22 THR 49 6.774 -9.111 7.522 367 HG23 THR 49 HG23 THR 49 6.535 -10.818 7.150 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.677 -10.524 1.636 371 HB3 LYS 50 HB3 LYS 50 2.796 -9.750 0.044 372 HG2 LYS 50 HG2 LYS 50 4.883 -11.694 1.023 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.218 374 HD2 LYS 50 HD2 LYS 50 4.002 -10.615 -1.660 375 HD3 LYS 50 HD3 LYS 50 5.605 -10.498 -0.890 376 HE2 LYS 50 HE2 LYS 50 6.189 -12.628 -1.468 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.231 -1.380 378 HZ1 LYS 50 HZ1 LYS 50 4.058 -12.220 -3.478 379 HZ2 LYS 50 HZ2 LYS 50 5.427 -13.141 -3.651 380 HZ3 LYS 50 HZ3 LYS 50 5.548 -11.490 -3.541 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.928 4.985 384 HG1 THR 51 HG1 THR 51 1.825 -6.887 4.749 385 HG21 THR 51 HG21 THR 51 3.347 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.059 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.817 -4.541 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.042 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.348 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.122 -4.109 -0.744 394 HE1 PHE 52 HE2 PHE 52 6.141 -2.595 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.925 -5.361 -2.704 396 HZ PHE 52 HZ PHE 52 4.937 -4.604 -3.908 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.607 5.228 400 HG1 THR 53 HG1 THR 53 5.334 -1.374 5.811 401 HG21 THR 53 HG21 THR 53 5.304 1.873 7.001 402 HG22 THR 53 HG22 THR 53 3.795 1.022 7.332 403 HG23 THR 53 HG23 THR 53 3.838 2.299 6.117 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.365 4.026 1.472 407 HG11 VAL 54 HG11 VAL 54 0.142 4.608 2.082 408 HG12 VAL 54 HG12 VAL 54 0.664 5.278 3.628 409 HG13 VAL 54 HG13 VAL 54 0.752 3.540 3.346 410 HG21 VAL 54 HG21 VAL 54 1.642 6.489 1.404 411 HG22 VAL 54 HG22 VAL 54 3.360 6.133 1.228 412 HG23 VAL 54 HG23 VAL 54 2.733 6.716 2.771 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.486 6.408 416 HG1 THR 55 HG1 THR 55 4.822 4.766 7.960 417 HG21 THR 55 HG21 THR 55 4.970 6.789 8.989 418 HG22 THR 55 HG22 THR 55 5.626 8.148 8.076 419 HG23 THR 55 HG23 THR 55 6.706 6.907 8.708 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.432 10.214 5.202 423 HB3 GLU 56 HB3 GLU 56 1.534 10.677 6.911 424 HG2 GLU 56 HG2 GLU 56 2.579 12.874 5.976 425 HG3 GLU 56 HG3 GLU 56 1.808 12.367 4.455 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.668 -3.954 6 HB3 MET 1 HB3 MET 1 0.868 -13.560 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.653 -4.044 8 HG3 MET 1 HG3 MET 1 1.658 -14.490 -5.146 9 HE1 MET 1 HE1 MET 1 3.248 -16.831 -1.775 10 HE2 MET 1 HE2 MET 1 1.559 -16.458 -2.119 11 HE3 MET 1 HE3 MET 1 2.473 -15.452 -0.996 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.950 -12.922 0.407 15 HB3 GLN 2 HB3 GLN 2 -3.274 -11.241 0.877 16 HG2 GLN 2 HG2 GLN 2 -5.291 -11.172 -0.271 17 HG3 GLN 2 HG3 GLN 2 -4.861 -12.547 -1.316 18 HE21 GLN 2 HE21 GLN 2 -7.291 -12.270 0.097 19 HE22 GLN 2 HE22 GLN 2 -7.360 -13.590 1.315 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.902 -2.050 23 HB3 TYR 3 HB3 TYR 3 0.581 -6.529 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.778 -9.198 -3.267 25 HD2 TYR 3 HD2 TYR 3 2.680 -7.333 -1.628 26 HE1 TYR 3 HE1 TYR 3 0.649 -10.558 -4.736 27 HE2 TYR 3 HE2 TYR 3 4.114 -8.689 -3.096 28 HH TYR 3 HH TYR 3 3.946 -9.917 -5.215 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.650 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.259 4.207 33 HG2 LYS 4 HG2 LYS 4 -1.560 -4.302 4.886 34 HG3 LYS 4 HG3 LYS 4 -2.978 -5.379 4.864 35 HD2 LYS 4 HD2 LYS 4 -0.487 -5.889 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.933 -5.049 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.996 6.796 38 HE3 LYS 4 HE3 LYS 4 -1.982 -7.827 5.924 39 HZ1 LYS 4 HZ1 LYS 4 -0.891 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.279 8.445 41 HZ3 LYS 4 HZ3 LYS 4 -1.477 -6.947 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.419 -1.404 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.151 1.690 46 HG LEU 5 HG LEU 5 -1.553 0.813 2.701 47 HD11 LEU 5 HD11 LEU 5 0.687 0.317 2.047 48 HD12 LEU 5 HD12 LEU 5 0.200 1.782 1.195 49 HD13 LEU 5 HD13 LEU 5 0.240 0.239 0.343 50 HD21 LEU 5 HD21 LEU 5 -2.259 2.307 0.992 51 HD22 LEU 5 HD22 LEU 5 -3.375 0.942 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.068 -0.254 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.389 6.830 56 HG11 VAL 6 HG11 VAL 6 0.912 0.131 9.082 57 HG12 VAL 6 HG12 VAL 6 -0.818 -0.186 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.124 1.246 8.190 59 HG21 VAL 6 HG21 VAL 6 -0.879 -2.366 7.364 60 HG22 VAL 6 HG22 VAL 6 0.539 -2.307 8.411 61 HG23 VAL 6 HG23 VAL 6 0.729 -2.624 6.686 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.982 5.929 65 HG12 ILE 7 HG12 ILE 7 -2.131 3.930 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.913 2.521 3.980 67 HG21 ILE 7 HG21 ILE 7 -3.201 6.096 4.425 68 HG22 ILE 7 HG22 ILE 7 -1.529 5.985 4.976 69 HG23 ILE 7 HG23 ILE 7 -2.835 6.165 6.148 70 HD11 ILE 7 HD11 ILE 7 -4.341 3.569 2.310 71 HD12 ILE 7 HD12 ILE 7 -4.283 5.093 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.057 3.681 3.918 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.546 3.939 9.336 76 HB3 ASN 8 HB3 ASN 8 2.396 5.345 8.656 77 HD21 ASN 8 HD21 ASN 8 2.595 3.715 11.221 78 HD22 ASN 8 HD22 ASN 8 2.609 4.974 12.506 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.706 13.834 8.499 85 HB3 LYS 10 HB3 LYS 10 -1.452 14.383 10.168 86 HG2 LYS 10 HG2 LYS 10 0.820 14.159 10.048 87 HG3 LYS 10 HG3 LYS 10 0.739 12.839 8.857 88 HD2 LYS 10 HD2 LYS 10 1.604 14.682 7.668 89 HD3 LYS 10 HD3 LYS 10 -0.115 14.600 7.209 90 HE2 LYS 10 HE2 LYS 10 -0.676 16.408 8.658 91 HE3 LYS 10 HE3 LYS 10 0.924 16.368 9.436 92 HZ1 LYS 10 HZ1 LYS 10 0.239 17.299 6.724 93 HZ2 LYS 10 HZ2 LYS 10 1.798 16.920 7.142 94 HZ3 LYS 10 HZ3 LYS 10 1.000 18.134 7.941 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.202 8.945 98 HG1 THR 11 HG1 THR 11 -6.369 13.484 6.977 99 HG21 THR 11 HG21 THR 11 -4.529 14.722 9.640 100 HG22 THR 11 HG22 THR 11 -6.103 14.777 10.433 101 HG23 THR 11 HG23 THR 11 -5.906 15.452 8.816 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.906 9.383 6.326 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.721 6.071 106 HG LEU 12 HG LEU 12 -6.173 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.045 7.037 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.564 6.052 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.874 7.788 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.709 8.003 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.357 6.275 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.045 7.445 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -3.878 4.611 11.493 116 HB3 LYS 13 HB3 LYS 13 -3.901 6.383 11.411 117 HG2 LYS 13 HG2 LYS 13 -6.481 6.105 11.616 118 HG3 LYS 13 HG3 LYS 13 -6.077 4.482 12.226 119 HD2 LYS 13 HD2 LYS 13 -4.749 5.414 14.006 120 HD3 LYS 13 HD3 LYS 13 -4.917 7.055 13.334 121 HE2 LYS 13 HE2 LYS 13 -7.282 5.388 14.219 122 HE3 LYS 13 HE3 LYS 13 -6.404 6.477 15.318 123 HZ1 LYS 13 HZ1 LYS 13 -6.969 8.314 13.918 124 HZ2 LYS 13 HZ2 LYS 13 -8.365 7.500 14.288 125 HZ3 LYS 13 HZ3 LYS 13 -7.682 7.327 12.787 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -4.736 -3.304 6.787 132 HB3 GLU 15 HB3 GLU 15 -3.899 -2.221 7.918 133 HG2 GLU 15 HG2 GLU 15 -6.141 -1.688 8.920 134 HG3 GLU 15 HG3 GLU 15 -6.826 -2.977 7.903 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.277 -0.835 2.610 138 HG1 THR 16 HG1 THR 16 -8.573 -2.130 1.503 139 HG21 THR 16 HG21 THR 16 -4.801 -0.846 1.981 140 HG22 THR 16 HG22 THR 16 -5.943 -0.174 0.818 141 HG23 THR 16 HG23 THR 16 -5.290 -1.794 0.577 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.466 -7.856 1.229 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.896 146 HG21 THR 17 HG21 THR 17 -5.537 -8.088 3.490 147 HG22 THR 17 HG22 THR 17 -6.539 -6.655 3.726 148 HG23 THR 17 HG23 THR 17 -4.818 -6.481 3.385 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.093 -4.536 -3.124 152 HG1 THR 18 HG1 THR 18 -6.411 -5.118 -4.773 153 HG21 THR 18 HG21 THR 18 -3.248 -6.149 -4.754 154 HG22 THR 18 HG22 THR 18 -2.961 -6.180 -3.013 155 HG23 THR 18 HG23 THR 18 -2.982 -4.643 -3.877 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.753 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.603 -5.463 160 HG2 LYS 19 HG2 LYS 19 -6.682 -10.381 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.017 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.511 -12.598 -3.221 163 HD3 LYS 19 HD3 LYS 19 -7.074 -12.651 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.330 165 HE3 LYS 19 HE3 LYS 19 -6.486 -14.437 -4.208 166 HZ1 LYS 19 HZ1 LYS 19 -8.737 -13.815 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.709 -14.829 -4.402 168 HZ3 LYS 19 HZ3 LYS 19 -9.122 -13.234 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.969 -12.794 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.472 -13.260 -10.590 178 HG12 VAL 21 HG12 VAL 21 -1.067 -12.863 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.817 -11.650 -11.223 180 HG21 VAL 21 HG21 VAL 21 -0.150 -10.032 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.873 -10.999 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.537 -10.325 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.605 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.325 -10.821 -9.944 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 6.964 -4.983 -9.617 195 HB3 GLU 24 HB3 GLU 24 5.530 -5.536 -10.505 196 HG2 GLU 24 HG2 GLU 24 5.029 -3.069 -10.921 197 HG3 GLU 24 HG3 GLU 24 6.681 -2.754 -10.338 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.799 -6.738 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.105 -11.650 202 HG21 THR 25 HG21 THR 25 -0.734 -4.607 -11.361 203 HG22 THR 25 HG22 THR 25 -1.272 -5.686 -10.074 204 HG23 THR 25 HG23 THR 25 -0.986 -6.321 -11.695 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.777 -5.975 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.202 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.763 1.104 -6.562 215 HG3 GLU 27 HG3 GLU 27 4.530 0.421 -5.110 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.041 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.027 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.386 0.743 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.448 -0.888 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.657 -1.905 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.009 0.522 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.748 -12.825 226 HZ1 LYS 28 HZ1 LYS 28 3.025 -2.349 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.168 -15.182 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.133 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.062 0.019 -3.681 237 HB3 PHE 30 HB3 PHE 30 -0.684 0.817 -2.280 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.442 -2.036 239 HD2 PHE 30 HD2 PHE 30 0.469 -2.171 -3.130 240 HE1 PHE 30 HE1 PHE 30 -4.037 -2.627 -1.206 241 HE2 PHE 30 HE2 PHE 30 -0.298 -4.357 -2.304 242 HZ PHE 30 HZ PHE 30 -2.553 -4.587 -1.338 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 1.641 3.855 -6.032 246 HB3 LYS 31 HB3 LYS 31 0.472 3.920 -7.365 247 HG2 LYS 31 HG2 LYS 31 0.183 6.420 -6.498 248 HG3 LYS 31 HG3 LYS 31 1.836 6.132 -5.901 249 HD2 LYS 31 HD2 LYS 31 2.446 5.364 -8.215 250 HD3 LYS 31 HD3 LYS 31 0.834 5.898 -8.753 251 HE2 LYS 31 HE2 LYS 31 1.332 8.128 -8.488 252 HE3 LYS 31 HE3 LYS 31 2.548 7.818 -7.226 253 HZ1 LYS 31 HZ1 LYS 31 2.924 7.143 -10.082 254 HZ2 LYS 31 HZ2 LYS 31 4.066 7.073 -8.881 255 HZ3 LYS 31 HZ3 LYS 31 3.478 8.542 -9.380 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.487 4.296 -7.732 261 HG3 GLN 32 HG3 GLN 32 -5.754 5.514 -8.802 262 HE21 GLN 32 HE21 GLN 32 -7.916 5.003 -9.855 263 HE22 GLN 32 HE22 GLN 32 -7.879 3.716 -11.110 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.029 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.534 -2.832 268 HD1 TYR 33 HD2 TYR 33 -5.149 3.825 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.560 -2.750 270 HE1 TYR 33 HE2 TYR 33 -6.523 3.781 1.343 271 HE2 TYR 33 HE1 TYR 33 -9.490 1.511 -0.716 272 HH TYR 33 HH TYR 33 -8.638 1.846 2.099 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.853 8.278 -6.316 281 HB3 ASN 35 HB3 ASN 35 -3.910 10.053 -6.375 282 HD21 ASN 35 HD21 ASN 35 -2.159 8.876 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.062 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.267 6.766 -4.431 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.836 -4.702 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.852 7.529 0.043 291 HB3 ASN 37 HB3 ASN 37 -7.759 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.927 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.596 5.606 -1.065 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.630 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.342 8.887 3.695 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.081 2.238 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.615 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.010 304 HG22 VAL 39 HG22 VAL 39 -4.523 9.463 2.294 305 HG23 VAL 39 HG23 VAL 39 -3.473 9.481 3.708 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.401 12.550 -1.147 309 HB3 ASP 40 HB3 ASP 40 1.083 13.278 0.323 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.701 3.441 316 HG11 VAL 42 HG11 VAL 42 9.234 5.747 2.249 317 HG12 VAL 42 HG12 VAL 42 10.397 6.799 3.056 318 HG13 VAL 42 HG13 VAL 42 10.195 6.887 1.307 319 HG21 VAL 42 HG21 VAL 42 10.228 9.172 2.564 320 HG22 VAL 42 HG22 VAL 42 8.639 9.874 2.865 321 HG23 VAL 42 HG23 VAL 42 9.129 9.471 1.221 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.437 3.981 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.575 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.939 6.245 -1.918 327 HE1 TRP 43 HE1 TRP 43 3.423 6.592 -2.450 328 HE3 TRP 43 HE3 TRP 43 4.303 1.514 -0.886 329 HZ2 TRP 43 HZ2 TRP 43 1.081 5.002 -2.411 330 HZ3 TRP 43 HZ3 TRP 43 1.913 1.006 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.335 2.715 -1.904 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.665 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.538 1.703 3.895 336 HG21 THR 44 HG21 THR 44 10.945 1.887 2.838 337 HG22 THR 44 HG22 THR 44 10.579 1.793 4.561 338 HG23 THR 44 HG23 THR 44 9.646 2.868 3.519 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.672 -2.550 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.127 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.139 -4.593 0.444 344 HD2 TYR 45 HD2 TYR 45 9.501 -5.032 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.399 -6.866 -0.128 346 HE2 TYR 45 HE2 TYR 45 8.771 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.354 -9.112 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.867 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.219 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.703 -8.632 -0.546 355 HB3 ASP 47 HB3 ASP 47 11.206 -9.849 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.512 6.394 364 HG1 THR 49 HG1 THR 49 6.499 -8.118 5.544 365 HG21 THR 49 HG21 THR 49 5.376 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.118 7.527 367 HG23 THR 49 HG23 THR 49 6.526 -10.824 7.153 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.677 -10.524 1.636 371 HB3 LYS 50 HB3 LYS 50 2.796 -9.750 0.044 372 HG2 LYS 50 HG2 LYS 50 4.883 -11.694 1.024 373 HG3 LYS 50 HG3 LYS 50 3.389 -12.236 0.219 374 HD2 LYS 50 HD2 LYS 50 4.004 -10.617 -1.659 375 HD3 LYS 50 HD3 LYS 50 5.605 -10.499 -0.889 376 HE2 LYS 50 HE2 LYS 50 6.190 -12.630 -1.465 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.233 -1.377 378 HZ1 LYS 50 HZ1 LYS 50 4.060 -12.223 -3.477 379 HZ2 LYS 50 HZ2 LYS 50 5.429 -13.144 -3.649 380 HZ3 LYS 50 HZ3 LYS 50 5.550 -11.494 -3.539 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.929 4.985 384 HG1 THR 51 HG1 THR 51 1.824 -6.885 4.749 385 HG21 THR 51 HG21 THR 51 3.349 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.061 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.818 -4.539 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.042 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.191 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.348 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.122 -4.109 -0.743 394 HE1 PHE 52 HE2 PHE 52 6.141 -2.596 -3.146 395 HE2 PHE 52 HE1 PHE 52 2.924 -5.361 -2.704 396 HZ PHE 52 HZ PHE 52 4.936 -4.604 -3.908 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.609 5.228 400 HG1 THR 53 HG1 THR 53 5.337 -1.373 5.809 401 HG21 THR 53 HG21 THR 53 5.301 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.794 1.019 7.333 403 HG23 THR 53 HG23 THR 53 3.835 2.297 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.367 4.027 1.472 407 HG11 VAL 54 HG11 VAL 54 0.142 4.606 2.081 408 HG12 VAL 54 HG12 VAL 54 0.663 5.275 3.628 409 HG13 VAL 54 HG13 VAL 54 0.753 3.537 3.344 410 HG21 VAL 54 HG21 VAL 54 1.640 6.490 1.406 411 HG22 VAL 54 HG22 VAL 54 3.358 6.135 1.231 412 HG23 VAL 54 HG23 VAL 54 2.731 6.716 2.773 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.469 6.491 6.410 416 HG1 THR 55 HG1 THR 55 4.825 4.760 7.952 417 HG21 THR 55 HG21 THR 55 4.966 6.779 8.990 418 HG22 THR 55 HG22 THR 55 5.619 8.144 8.084 419 HG23 THR 55 HG23 THR 55 6.702 6.903 8.712 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.454 10.415 6.791 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.973 424 HG2 GLU 56 HG2 GLU 56 1.709 10.816 3.805 425 HG3 GLU 56 HG3 GLU 56 1.266 9.296 4.617 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.670 -3.956 6 HB3 MET 1 HB3 MET 1 0.868 -13.557 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.654 -4.039 8 HG3 MET 1 HG3 MET 1 1.659 -14.494 -5.144 9 HE1 MET 1 HE1 MET 1 3.247 -16.827 -1.767 10 HE2 MET 1 HE2 MET 1 1.558 -16.455 -2.112 11 HE3 MET 1 HE3 MET 1 2.472 -15.447 -0.991 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.141 -12.579 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.569 0.727 16 HG2 GLN 2 HG2 GLN 2 -3.209 -10.061 1.025 17 HG3 GLN 2 HG3 GLN 2 -4.803 -10.433 0.327 18 HE21 GLN 2 HE21 GLN 2 -3.317 -9.883 3.128 19 HE22 GLN 2 HE22 GLN 2 -4.273 -10.945 4.219 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.904 -2.051 23 HB3 TYR 3 HB3 TYR 3 0.579 -6.528 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.771 -9.202 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.328 -1.624 26 HE1 TYR 3 HE1 TYR 3 0.661 -10.561 -4.732 27 HE2 TYR 3 HE2 TYR 3 4.119 -8.682 -3.089 28 HH TYR 3 HH TYR 3 3.957 -9.913 -5.207 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.652 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.261 4.206 33 HG2 LYS 4 HG2 LYS 4 -1.556 -4.301 4.885 34 HG3 LYS 4 HG3 LYS 4 -2.976 -5.376 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.485 -5.889 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.929 -5.048 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.992 6.797 38 HE3 LYS 4 HE3 LYS 4 -1.983 -7.826 5.925 39 HZ1 LYS 4 HZ1 LYS 4 -0.893 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.276 8.446 41 HZ3 LYS 4 HZ3 LYS 4 -1.475 -6.946 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.418 -1.403 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.152 1.689 46 HG LEU 5 HG LEU 5 -1.555 0.813 2.703 47 HD11 LEU 5 HD11 LEU 5 0.685 0.319 2.050 48 HD12 LEU 5 HD12 LEU 5 0.197 1.784 1.199 49 HD13 LEU 5 HD13 LEU 5 0.240 0.241 0.345 50 HD21 LEU 5 HD21 LEU 5 -2.262 2.307 0.994 51 HD22 LEU 5 HD22 LEU 5 -3.376 0.940 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.069 -0.253 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.392 6.829 56 HG11 VAL 6 HG11 VAL 6 0.914 0.133 9.081 57 HG12 VAL 6 HG12 VAL 6 -0.816 -0.182 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.120 1.248 8.188 59 HG21 VAL 6 HG21 VAL 6 -0.882 -2.364 7.367 60 HG22 VAL 6 HG22 VAL 6 0.537 -2.306 8.414 61 HG23 VAL 6 HG23 VAL 6 0.725 -2.626 6.689 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.981 5.929 65 HG12 ILE 7 HG12 ILE 7 -2.130 3.932 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.912 2.522 3.979 67 HG21 ILE 7 HG21 ILE 7 -3.201 6.097 4.426 68 HG22 ILE 7 HG22 ILE 7 -1.530 5.986 4.978 69 HG23 ILE 7 HG23 ILE 7 -2.836 6.165 6.149 70 HD11 ILE 7 HD11 ILE 7 -4.339 3.571 2.309 71 HD12 ILE 7 HD12 ILE 7 -4.283 5.094 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.056 3.681 3.916 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 2.359 5.135 8.551 76 HB3 ASN 8 HB3 ASN 8 1.860 5.609 10.190 77 HD21 ASN 8 HD21 ASN 8 2.497 3.966 11.417 78 HD22 ASN 8 HD22 ASN 8 2.010 2.255 11.153 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -0.156 13.601 8.998 85 HB3 LYS 10 HB3 LYS 10 -1.864 13.925 8.638 86 HG2 LYS 10 HG2 LYS 10 -2.181 15.151 10.541 87 HG3 LYS 10 HG3 LYS 10 -0.944 14.257 11.457 88 HD2 LYS 10 HD2 LYS 10 -0.024 16.403 11.120 89 HD3 LYS 10 HD3 LYS 10 0.765 15.365 9.907 90 HE2 LYS 10 HE2 LYS 10 -0.621 16.208 8.159 91 HE3 LYS 10 HE3 LYS 10 -1.694 17.030 9.317 92 HZ1 LYS 10 HZ1 LYS 10 1.058 17.757 8.551 93 HZ2 LYS 10 HZ2 LYS 10 0.359 18.345 9.936 94 HZ3 LYS 10 HZ3 LYS 10 -0.318 18.682 8.460 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.201 8.943 98 HG1 THR 11 HG1 THR 11 -6.366 13.485 6.977 99 HG21 THR 11 HG21 THR 11 -4.531 14.723 9.643 100 HG22 THR 11 HG22 THR 11 -6.107 14.776 10.434 101 HG23 THR 11 HG23 THR 11 -5.908 15.452 8.818 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.908 9.382 6.326 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.722 6.071 106 HG LEU 12 HG LEU 12 -6.169 6.436 6.414 107 HD11 LEU 12 HD11 LEU 12 -8.042 7.033 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.559 6.048 6.525 109 HD13 LEU 12 HD13 LEU 12 -8.872 7.783 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.708 8.001 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.353 6.274 4.308 112 HD23 LEU 12 HD23 LEU 12 -6.043 7.446 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.483 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.901 4.599 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.955 6.931 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.372 7.557 11.713 119 HD2 LYS 13 HD2 LYS 13 -3.691 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.587 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.547 8.603 13.063 122 HE3 LYS 13 HE3 LYS 13 -1.711 7.606 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.245 6.810 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.237 8.467 12.533 125 HZ3 LYS 13 HZ3 LYS 13 -1.074 7.612 11.385 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.704 -2.555 8.025 132 HB3 GLU 15 HB3 GLU 15 -4.675 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -3.205 -3.184 8.524 134 HG3 GLU 15 HG3 GLU 15 -2.875 -1.625 7.733 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.279 -0.836 2.610 138 HG1 THR 16 HG1 THR 16 -8.571 -2.132 1.501 139 HG21 THR 16 HG21 THR 16 -4.802 -0.843 1.984 140 HG22 THR 16 HG22 THR 16 -5.944 -0.173 0.820 141 HG23 THR 16 HG23 THR 16 -5.287 -1.791 0.579 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.466 -7.856 1.230 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.894 146 HG21 THR 17 HG21 THR 17 -5.538 -8.087 3.491 147 HG22 THR 17 HG22 THR 17 -6.541 -6.654 3.725 148 HG23 THR 17 HG23 THR 17 -4.820 -6.480 3.386 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.096 -4.535 -3.126 152 HG1 THR 18 HG1 THR 18 -6.409 -5.122 -4.776 153 HG21 THR 18 HG21 THR 18 -3.245 -6.148 -4.750 154 HG22 THR 18 HG22 THR 18 -2.961 -6.177 -3.008 155 HG23 THR 18 HG23 THR 18 -2.983 -4.640 -3.874 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.754 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.461 160 HG2 LYS 19 HG2 LYS 19 -6.683 -10.379 -3.002 161 HG3 LYS 19 HG3 LYS 19 -7.955 -11.015 -4.073 162 HD2 LYS 19 HD2 LYS 19 -5.513 -12.596 -3.219 163 HD3 LYS 19 HD3 LYS 19 -7.077 -12.648 -2.368 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.146 -5.328 165 HE3 LYS 19 HE3 LYS 19 -6.488 -14.436 -4.205 166 HZ1 LYS 19 HZ1 LYS 19 -8.739 -13.812 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.710 -14.828 -4.400 168 HZ3 LYS 19 HZ3 LYS 19 -9.123 -13.233 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.215 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.227 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.491 -10.880 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.791 -10.669 -11.434 180 HG21 VAL 21 HG21 VAL 21 2.146 -12.958 -11.079 181 HG22 VAL 21 HG22 VAL 21 0.888 -13.527 -12.177 182 HG23 VAL 21 HG23 VAL 21 0.876 -14.028 -10.485 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.357 -9.606 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.324 -10.820 -9.945 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 6.965 -4.981 -9.617 195 HB3 GLU 24 HB3 GLU 24 5.532 -5.538 -10.504 196 HG2 GLU 24 HG2 GLU 24 5.025 -3.072 -10.923 197 HG3 GLU 24 HG3 GLU 24 6.676 -2.753 -10.341 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.798 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.106 -11.648 202 HG21 THR 25 HG21 THR 25 -0.733 -4.607 -11.363 203 HG22 THR 25 HG22 THR 25 -1.272 -5.685 -10.076 204 HG23 THR 25 HG23 THR 25 -0.985 -6.321 -11.696 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.774 -5.971 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.206 -7.609 214 HG2 GLU 27 HG2 GLU 27 3.761 1.104 -6.572 215 HG3 GLU 27 HG3 GLU 27 4.528 0.428 -5.116 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.044 -0.939 -10.629 219 HB3 LYS 28 HB3 LYS 28 -0.024 0.743 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.389 0.738 -11.282 221 HG3 LYS 28 HG3 LYS 28 2.446 -0.893 -10.568 222 HD2 LYS 28 HD2 LYS 28 1.654 -1.908 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.900 -0.411 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.013 0.515 -13.700 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.758 -12.822 226 HZ1 LYS 28 HZ1 LYS 28 3.022 -2.356 -14.428 227 HZ2 LYS 28 HZ2 LYS 28 3.917 -1.177 -15.178 228 HZ3 LYS 28 HZ3 LYS 28 2.261 -1.138 -15.263 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.016 -3.683 237 HB3 PHE 30 HB3 PHE 30 -0.682 0.818 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.435 -2.031 239 HD2 PHE 30 HD2 PHE 30 0.465 -2.174 -3.127 240 HE1 PHE 30 HE1 PHE 30 -4.039 -2.616 -1.195 241 HE2 PHE 30 HE2 PHE 30 -0.305 -4.356 -2.295 242 HZ PHE 30 HZ PHE 30 -2.560 -4.579 -1.325 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.594 3.711 -7.269 246 HB3 LYS 31 HB3 LYS 31 0.736 5.398 -6.737 247 HG2 LYS 31 HG2 LYS 31 2.105 4.268 -4.754 248 HG3 LYS 31 HG3 LYS 31 2.354 3.008 -5.987 249 HD2 LYS 31 HD2 LYS 31 3.123 4.815 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.051 5.952 -6.187 251 HE2 LYS 31 HE2 LYS 31 4.851 4.995 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.576 3.398 -5.856 253 HZ1 LYS 31 HZ1 LYS 31 5.561 5.757 -7.347 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.196 -7.899 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.587 -6.706 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.001 -9.057 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.836 260 HG2 GLN 32 HG2 GLN 32 -6.310 3.658 -9.127 261 HG3 GLN 32 HG3 GLN 32 -6.374 4.668 -7.664 262 HE21 GLN 32 HE21 GLN 32 -7.616 5.279 -10.133 263 HE22 GLN 32 HE22 GLN 32 -6.838 6.770 -10.767 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.029 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.534 -2.833 268 HD1 TYR 33 HD2 TYR 33 -5.147 3.825 -0.697 269 HD2 TYR 33 HD1 TYR 33 -8.108 1.561 -2.748 270 HE1 TYR 33 HE2 TYR 33 -6.520 3.782 1.344 271 HE2 TYR 33 HE1 TYR 33 -9.488 1.513 -0.714 272 HH TYR 33 HH TYR 33 -8.635 1.847 2.101 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.855 8.279 -6.317 281 HB3 ASN 35 HB3 ASN 35 -3.908 10.054 -6.374 282 HD21 ASN 35 HD21 ASN 35 -2.160 8.875 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.057 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.267 6.766 -4.431 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.836 -4.702 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.042 291 HB3 ASN 37 HB3 ASN 37 -7.759 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.929 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.598 5.607 -1.063 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.633 8.237 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.338 8.885 3.692 301 HG12 VAL 39 HG12 VAL 39 -0.367 9.078 2.233 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.514 2.611 303 HG21 VAL 39 HG21 VAL 39 -3.980 7.946 3.014 304 HG22 VAL 39 HG22 VAL 39 -4.522 9.465 2.299 305 HG23 VAL 39 HG23 VAL 39 -3.468 9.481 3.711 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.263 12.992 -0.258 309 HB3 ASP 40 HB3 ASP 40 2.017 13.116 -0.002 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.225 7.697 3.441 316 HG11 VAL 42 HG11 VAL 42 9.239 5.749 2.242 317 HG12 VAL 42 HG12 VAL 42 10.400 6.802 3.052 318 HG13 VAL 42 HG13 VAL 42 10.197 6.895 1.303 319 HG21 VAL 42 HG21 VAL 42 10.225 9.176 2.568 320 HG22 VAL 42 HG22 VAL 42 8.634 9.872 2.872 321 HG23 VAL 42 HG23 VAL 42 9.123 9.477 1.227 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.982 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.937 6.244 -1.917 327 HE1 TRP 43 HE1 TRP 43 3.420 6.590 -2.449 328 HE3 TRP 43 HE3 TRP 43 4.305 1.512 -0.886 329 HZ2 TRP 43 HZ2 TRP 43 1.080 4.998 -2.410 330 HZ3 TRP 43 HZ3 TRP 43 1.915 1.002 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.336 2.710 -1.903 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.666 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.538 1.703 3.895 336 HG21 THR 44 HG21 THR 44 10.945 1.887 2.838 337 HG22 THR 44 HG22 THR 44 10.579 1.793 4.561 338 HG23 THR 44 HG23 THR 44 9.646 2.868 3.519 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.672 -2.550 -0.961 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.127 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.140 -4.594 0.444 344 HD2 TYR 45 HD2 TYR 45 9.502 -5.032 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.401 -6.868 -0.128 346 HE2 TYR 45 HE2 TYR 45 8.773 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.358 -9.113 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.866 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.219 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.704 -8.632 -0.545 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.850 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.395 364 HG1 THR 49 HG1 THR 49 6.497 -8.117 5.543 365 HG21 THR 49 HG21 THR 49 5.379 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.772 -9.116 7.525 367 HG23 THR 49 HG23 THR 49 6.529 -10.822 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.525 1.637 371 HB3 LYS 50 HB3 LYS 50 2.795 -9.749 0.045 372 HG2 LYS 50 HG2 LYS 50 4.884 -11.693 1.020 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.216 374 HD2 LYS 50 HD2 LYS 50 4.000 -10.612 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.603 -10.495 -0.893 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.624 -1.474 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.228 -1.384 378 HZ1 LYS 50 HZ1 LYS 50 4.054 -12.216 -3.481 379 HZ2 LYS 50 HZ2 LYS 50 5.424 -13.136 -3.657 380 HZ3 LYS 50 HZ3 LYS 50 5.544 -11.485 -3.545 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.488 -5.930 4.985 384 HG1 THR 51 HG1 THR 51 1.822 -6.883 4.749 385 HG21 THR 51 HG21 THR 51 3.352 -3.703 4.780 386 HG22 THR 51 HG22 THR 51 3.062 -4.562 6.293 387 HG23 THR 51 HG23 THR 51 1.820 -4.537 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.039 0.450 391 HB3 PHE 52 HB3 PHE 52 3.375 -0.822 0.190 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.355 -1.186 393 HD2 PHE 52 HD1 PHE 52 2.116 -4.108 -0.740 394 HE1 PHE 52 HE2 PHE 52 6.136 -2.607 -3.147 395 HE2 PHE 52 HE1 PHE 52 2.914 -5.364 -2.700 396 HZ PHE 52 HZ PHE 52 4.927 -4.613 -3.906 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.781 0.612 5.229 400 HG1 THR 53 HG1 THR 53 5.342 -1.372 5.805 401 HG21 THR 53 HG21 THR 53 5.297 1.871 7.005 402 HG22 THR 53 HG22 THR 53 3.791 1.013 7.333 403 HG23 THR 53 HG23 THR 53 3.829 2.293 6.122 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.604 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.271 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.534 3.341 410 HG21 VAL 54 HG21 VAL 54 1.638 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.357 6.138 1.233 412 HG23 VAL 54 HG23 VAL 54 2.728 6.716 2.776 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.488 6.409 416 HG1 THR 55 HG1 THR 55 4.823 4.763 7.956 417 HG21 THR 55 HG21 THR 55 4.968 6.784 8.990 418 HG22 THR 55 HG22 THR 55 5.622 8.146 8.080 419 HG23 THR 55 HG23 THR 55 6.703 6.905 8.710 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.454 10.415 6.791 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.973 424 HG2 GLU 56 HG2 GLU 56 1.786 10.700 3.800 425 HG3 GLU 56 HG3 GLU 56 1.146 9.297 4.688 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.670 -3.957 6 HB3 MET 1 HB3 MET 1 0.868 -13.556 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.655 -4.037 8 HG3 MET 1 HG3 MET 1 1.659 -14.496 -5.143 9 HE1 MET 1 HE1 MET 1 3.246 -16.826 -1.763 10 HE2 MET 1 HE2 MET 1 1.557 -16.454 -2.109 11 HE3 MET 1 HE3 MET 1 2.471 -15.444 -0.988 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.141 -12.579 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.570 0.727 16 HG2 GLN 2 HG2 GLN 2 -3.210 -10.467 1.580 17 HG3 GLN 2 HG3 GLN 2 -4.252 -10.038 0.203 18 HE21 GLN 2 HE21 GLN 2 -4.940 -9.733 2.925 19 HE22 GLN 2 HE22 GLN 2 -6.324 -10.832 3.257 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.904 -2.052 23 HB3 TYR 3 HB3 TYR 3 0.578 -6.528 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.770 -9.202 -3.266 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.327 -1.624 26 HE1 TYR 3 HE1 TYR 3 0.662 -10.561 -4.731 27 HE2 TYR 3 HE2 TYR 3 4.120 -8.682 -3.088 28 HH TYR 3 HH TYR 3 3.958 -9.913 -5.206 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.166 -6.410 4.153 32 HB3 LYS 4 HB3 LYS 4 -1.560 -5.434 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.047 -7.312 3.936 34 HG3 LYS 4 HG3 LYS 4 -1.585 -8.286 3.644 35 HD2 LYS 4 HD2 LYS 4 -2.253 -6.987 6.301 36 HD3 LYS 4 HD3 LYS 4 -2.680 -8.664 5.879 37 HE2 LYS 4 HE2 LYS 4 -0.372 -9.267 5.647 38 HE3 LYS 4 HE3 LYS 4 0.143 -7.570 5.791 39 HZ1 LYS 4 HZ1 LYS 4 -0.182 -7.593 8.029 40 HZ2 LYS 4 HZ2 LYS 4 0.210 -9.191 7.825 41 HZ3 LYS 4 HZ3 LYS 4 -1.378 -8.744 7.991 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.420 -1.404 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.150 1.691 46 HG LEU 5 HG LEU 5 -1.551 0.814 2.701 47 HD11 LEU 5 HD11 LEU 5 0.688 0.316 2.046 48 HD12 LEU 5 HD12 LEU 5 0.201 1.780 1.194 49 HD13 LEU 5 HD13 LEU 5 0.241 0.237 0.342 50 HD21 LEU 5 HD21 LEU 5 -2.258 2.307 0.991 51 HD22 LEU 5 HD22 LEU 5 -3.374 0.942 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.108 1.068 -0.254 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.391 6.830 56 HG11 VAL 6 HG11 VAL 6 0.913 0.132 9.082 57 HG12 VAL 6 HG12 VAL 6 -0.817 -0.184 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.122 1.247 8.189 59 HG21 VAL 6 HG21 VAL 6 -0.881 -2.365 7.365 60 HG22 VAL 6 HG22 VAL 6 0.538 -2.306 8.413 61 HG23 VAL 6 HG23 VAL 6 0.727 -2.625 6.688 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.536 3.986 5.932 65 HG12 ILE 7 HG12 ILE 7 -2.135 3.922 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.918 2.517 3.987 67 HG21 ILE 7 HG21 ILE 7 -3.199 6.094 4.419 68 HG22 ILE 7 HG22 ILE 7 -1.526 5.982 4.967 69 HG23 ILE 7 HG23 ILE 7 -2.829 6.169 6.141 70 HD11 ILE 7 HD11 ILE 7 -4.347 3.561 2.315 71 HD12 ILE 7 HD12 ILE 7 -4.285 5.088 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.060 3.681 3.924 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.546 3.939 9.336 76 HB3 ASN 8 HB3 ASN 8 2.396 5.345 8.656 77 HD21 ASN 8 HD21 ASN 8 3.822 5.052 10.489 78 HD22 ASN 8 HD22 ASN 8 3.348 5.775 12.067 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.709 13.835 8.501 85 HB3 LYS 10 HB3 LYS 10 -1.449 14.382 10.170 86 HG2 LYS 10 HG2 LYS 10 0.724 12.858 8.777 87 HG3 LYS 10 HG3 LYS 10 0.456 14.572 8.376 88 HD2 LYS 10 HD2 LYS 10 0.561 15.031 10.878 89 HD3 LYS 10 HD3 LYS 10 1.150 13.359 11.061 90 HE2 LYS 10 HE2 LYS 10 2.530 13.592 10.164 91 HE3 LYS 10 HE3 LYS 10 2.914 14.949 9.078 92 HZ1 LYS 10 HZ1 LYS 10 3.132 14.849 12.016 93 HZ2 LYS 10 HZ2 LYS 10 3.107 16.291 11.197 94 HZ3 LYS 10 HZ3 LYS 10 4.316 15.194 10.904 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.471 13.463 7.914 98 HG1 THR 11 HG1 THR 11 -5.512 15.223 9.049 99 HG21 THR 11 HG21 THR 11 -7.895 12.758 9.551 100 HG22 THR 11 HG22 THR 11 -7.568 12.388 7.857 101 HG23 THR 11 HG23 THR 11 -7.880 14.051 8.353 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.905 9.384 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.718 6.071 106 HG LEU 12 HG LEU 12 -6.178 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.048 7.041 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.569 6.057 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.875 7.794 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.005 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.361 6.277 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.047 7.444 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -3.878 4.611 11.493 116 HB3 LYS 13 HB3 LYS 13 -3.901 6.383 11.411 117 HG2 LYS 13 HG2 LYS 13 -6.481 6.106 11.616 118 HG3 LYS 13 HG3 LYS 13 -6.078 4.482 12.226 119 HD2 LYS 13 HD2 LYS 13 -4.749 5.414 14.006 120 HD3 LYS 13 HD3 LYS 13 -4.916 7.056 13.334 121 HE2 LYS 13 HE2 LYS 13 -7.282 5.389 14.219 122 HE3 LYS 13 HE3 LYS 13 -6.404 6.478 15.318 123 HZ1 LYS 13 HZ1 LYS 13 -6.968 8.315 13.918 124 HZ2 LYS 13 HZ2 LYS 13 -8.364 7.501 14.288 125 HZ3 LYS 13 HZ3 LYS 13 -7.681 7.329 12.787 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -3.938 -2.192 7.970 132 HB3 GLU 15 HB3 GLU 15 -5.681 -2.516 8.065 133 HG2 GLU 15 HG2 GLU 15 -5.451 -3.858 5.952 134 HG3 GLU 15 HG3 GLU 15 -3.690 -3.666 6.103 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -6.987 -2.183 1.175 138 HG1 THR 16 HG1 THR 16 -5.179 -1.037 1.148 139 HG21 THR 16 HG21 THR 16 -8.737 -1.562 2.931 140 HG22 THR 16 HG22 THR 16 -8.434 -0.414 1.627 141 HG23 THR 16 HG23 THR 16 -7.750 -0.131 3.227 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.922 -6.913 2.780 145 HG1 THR 17 HG1 THR 17 -5.173 -8.180 0.345 146 HG21 THR 17 HG21 THR 17 -7.833 -7.999 2.197 147 HG22 THR 17 HG22 THR 17 -7.436 -8.025 0.478 148 HG23 THR 17 HG23 THR 17 -8.021 -6.539 1.225 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.092 -4.536 -3.123 152 HG1 THR 18 HG1 THR 18 -6.412 -5.116 -4.771 153 HG21 THR 18 HG21 THR 18 -3.250 -6.150 -4.756 154 HG22 THR 18 HG22 THR 18 -2.961 -6.182 -3.015 155 HG23 THR 18 HG23 THR 18 -2.982 -4.644 -3.879 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.754 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.603 -5.462 160 HG2 LYS 19 HG2 LYS 19 -6.682 -10.380 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.016 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.511 -12.598 -3.221 163 HD3 LYS 19 HD3 LYS 19 -7.075 -12.650 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.329 165 HE3 LYS 19 HE3 LYS 19 -6.487 -14.437 -4.207 166 HZ1 LYS 19 HZ1 LYS 19 -8.738 -13.814 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.709 -14.829 -4.402 168 HZ3 LYS 19 HZ3 LYS 19 -9.122 -13.234 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.218 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.220 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.487 -10.879 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.786 -10.665 -11.435 180 HG21 VAL 21 HG21 VAL 21 2.149 -12.952 -11.080 181 HG22 VAL 21 HG22 VAL 21 0.892 -13.525 -12.177 182 HG23 VAL 21 HG23 VAL 21 0.882 -14.026 -10.486 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.602 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.327 -10.821 -9.943 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.728 -5.697 -10.345 195 HB3 GLU 24 HB3 GLU 24 5.693 -3.949 -10.651 196 HG2 GLU 24 HG2 GLU 24 7.648 -3.782 -9.019 197 HG3 GLU 24 HG3 GLU 24 7.758 -5.553 -9.149 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.798 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.106 -11.648 202 HG21 THR 25 HG21 THR 25 -0.733 -4.607 -11.364 203 HG22 THR 25 HG22 THR 25 -1.272 -5.684 -10.076 204 HG23 THR 25 HG23 THR 25 -0.985 -6.321 -11.696 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.116 -1.499 -7.505 213 HB3 GLU 27 HB3 GLU 27 4.138 0.034 -6.610 214 HG2 GLU 27 HG2 GLU 27 4.414 -1.379 -4.504 215 HG3 GLU 27 HG3 GLU 27 4.749 -2.741 -5.598 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.026 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.386 0.742 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.448 -0.889 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.657 -1.905 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.009 0.521 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.749 -12.825 226 HZ1 LYS 28 HZ1 LYS 28 3.025 -2.349 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.169 -15.181 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.133 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.017 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.682 0.818 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.435 -2.031 239 HD2 PHE 30 HD2 PHE 30 0.465 -2.173 -3.127 240 HE1 PHE 30 HE1 PHE 30 -4.039 -2.617 -1.196 241 HE2 PHE 30 HE2 PHE 30 -0.305 -4.356 -2.296 242 HZ PHE 30 HZ PHE 30 -2.559 -4.580 -1.326 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.593 3.712 -7.270 246 HB3 LYS 31 HB3 LYS 31 0.737 5.398 -6.736 247 HG2 LYS 31 HG2 LYS 31 2.105 4.266 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.353 3.006 -5.989 249 HD2 LYS 31 HD2 LYS 31 3.123 4.814 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.052 5.950 -6.186 251 HE2 LYS 31 HE2 LYS 31 4.851 4.991 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.576 3.395 -5.858 253 HZ1 LYS 31 HZ1 LYS 31 5.562 5.755 -7.346 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.194 -7.900 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.583 -6.707 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.142 3.883 -9.440 261 HG3 GLN 32 HG3 GLN 32 -6.491 4.274 -7.740 262 HE21 GLN 32 HE21 GLN 32 -7.815 5.810 -9.292 263 HE22 GLN 32 HE22 GLN 32 -7.054 7.424 -9.508 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.026 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.536 -2.830 268 HD1 TYR 33 HD2 TYR 33 -5.155 3.826 -0.695 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.558 -2.755 270 HE1 TYR 33 HE2 TYR 33 -6.533 3.780 1.342 271 HE2 TYR 33 HE1 TYR 33 -9.493 1.507 -0.724 272 HH TYR 33 HH TYR 33 -8.647 1.842 2.093 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.857 8.280 -6.318 281 HB3 ASN 35 HB3 ASN 35 -3.906 10.056 -6.374 282 HD21 ASN 35 HD21 ASN 35 -2.160 8.873 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.051 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.432 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.701 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.852 7.529 0.044 291 HB3 ASN 37 HB3 ASN 37 -7.761 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.924 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.593 5.605 -1.067 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.632 8.237 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.340 8.886 3.693 301 HG12 VAL 39 HG12 VAL 39 -0.368 9.079 2.235 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.515 2.612 303 HG21 VAL 39 HG21 VAL 39 -3.981 7.945 3.012 304 HG22 VAL 39 HG22 VAL 39 -4.522 9.464 2.297 305 HG23 VAL 39 HG23 VAL 39 -3.470 9.481 3.710 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.552 -1.144 309 HB3 ASP 40 HB3 ASP 40 1.087 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.225 7.699 3.441 316 HG11 VAL 42 HG11 VAL 42 9.237 5.748 2.244 317 HG12 VAL 42 HG12 VAL 42 10.399 6.801 3.053 318 HG13 VAL 42 HG13 VAL 42 10.196 6.892 1.305 319 HG21 VAL 42 HG21 VAL 42 10.226 9.174 2.566 320 HG22 VAL 42 HG22 VAL 42 8.636 9.873 2.869 321 HG23 VAL 42 HG23 VAL 42 9.126 9.475 1.225 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.935 6.244 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.418 6.587 -2.448 328 HE3 TRP 43 HE3 TRP 43 4.307 1.510 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.079 4.994 -2.409 330 HZ3 TRP 43 HZ3 TRP 43 1.917 0.998 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.336 2.705 -1.903 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.668 -0.140 3.543 335 HG1 THR 44 HG1 THR 44 7.536 1.698 3.896 336 HG21 THR 44 HG21 THR 44 10.942 1.892 2.838 337 HG22 THR 44 HG22 THR 44 10.576 1.795 4.561 338 HG23 THR 44 HG23 THR 44 9.641 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.671 -2.551 -0.961 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.126 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.141 -4.596 0.444 344 HD2 TYR 45 HD2 TYR 45 9.503 -5.031 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.404 -6.871 -0.127 346 HE2 TYR 45 HE2 TYR 45 8.776 -7.308 -2.705 347 HH TYR 45 HH TYR 45 7.362 -9.113 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.866 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.219 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.704 -8.632 -0.545 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.849 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.395 364 HG1 THR 49 HG1 THR 49 6.497 -8.117 5.543 365 HG21 THR 49 HG21 THR 49 5.379 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.772 -9.116 7.525 367 HG23 THR 49 HG23 THR 49 6.528 -10.822 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.676 -10.523 1.636 371 HB3 LYS 50 HB3 LYS 50 2.797 -9.751 0.043 372 HG2 LYS 50 HG2 LYS 50 4.882 -11.695 1.027 373 HG3 LYS 50 HG3 LYS 50 3.389 -12.236 0.221 374 HD2 LYS 50 HD2 LYS 50 4.006 -10.619 -1.658 375 HD3 LYS 50 HD3 LYS 50 5.607 -10.502 -0.887 376 HE2 LYS 50 HE2 LYS 50 6.191 -12.633 -1.461 377 HE3 LYS 50 HE3 LYS 50 4.518 -13.235 -1.374 378 HZ1 LYS 50 HZ1 LYS 50 4.062 -12.227 -3.475 379 HZ2 LYS 50 HZ2 LYS 50 5.431 -13.149 -3.645 380 HZ3 LYS 50 HZ3 LYS 50 5.553 -11.498 -3.536 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.927 4.985 384 HG1 THR 51 HG1 THR 51 1.826 -6.889 4.749 385 HG21 THR 51 HG21 THR 51 3.345 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.058 -4.564 6.293 387 HG23 THR 51 HG23 THR 51 1.816 -4.543 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.043 0.448 391 HB3 PHE 52 HB3 PHE 52 3.371 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.344 -1.182 393 HD2 PHE 52 HD1 PHE 52 2.125 -4.110 -0.746 394 HE1 PHE 52 HE2 PHE 52 6.143 -2.589 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.931 -5.359 -2.707 396 HZ PHE 52 HZ PHE 52 4.942 -4.599 -3.909 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.608 5.228 400 HG1 THR 53 HG1 THR 53 5.336 -1.374 5.810 401 HG21 THR 53 HG21 THR 53 5.302 1.873 7.001 402 HG22 THR 53 HG22 THR 53 3.794 1.020 7.332 403 HG23 THR 53 HG23 THR 53 3.836 2.298 6.118 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.604 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.272 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.534 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.357 6.138 1.232 412 HG23 VAL 54 HG23 VAL 54 2.729 6.716 2.775 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.487 6.408 416 HG1 THR 55 HG1 THR 55 4.822 4.764 7.958 417 HG21 THR 55 HG21 THR 55 4.969 6.787 8.990 418 HG22 THR 55 HG22 THR 55 5.624 8.147 8.078 419 HG23 THR 55 HG23 THR 55 6.704 6.906 8.709 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.431 10.213 5.204 423 HB3 GLU 56 HB3 GLU 56 1.534 10.679 6.912 424 HG2 GLU 56 HG2 GLU 56 2.128 12.915 6.351 425 HG3 GLU 56 HG3 GLU 56 2.353 12.487 4.638 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 1.156 -14.252 -4.200 6 HB3 MET 1 HB3 MET 1 0.904 -12.569 -3.698 7 HG2 MET 1 HG2 MET 1 2.204 -13.731 -2.036 8 HG3 MET 1 HG3 MET 1 0.606 -13.329 -1.369 9 HE1 MET 1 HE1 MET 1 2.609 -17.241 -2.173 10 HE2 MET 1 HE2 MET 1 2.808 -15.733 -3.066 11 HE3 MET 1 HE3 MET 1 1.597 -16.908 -3.578 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.140 -12.580 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.569 0.727 16 HG2 GLN 2 HG2 GLN 2 -3.241 -10.022 0.947 17 HG3 GLN 2 HG3 GLN 2 -4.857 -10.495 0.370 18 HE21 GLN 2 HE21 GLN 2 -6.045 -10.221 2.157 19 HE22 GLN 2 HE22 GLN 2 -5.758 -11.102 3.698 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.906 -2.053 23 HB3 TYR 3 HB3 TYR 3 0.577 -6.526 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.765 -9.205 -3.265 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.323 -1.621 26 HE1 TYR 3 HE1 TYR 3 0.671 -10.563 -4.728 27 HE2 TYR 3 HE2 TYR 3 4.124 -8.676 -3.082 28 HH TYR 3 HH TYR 3 3.966 -9.910 -5.199 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.166 -6.409 4.154 32 HB3 LYS 4 HB3 LYS 4 -1.561 -5.435 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.047 -7.313 3.936 34 HG3 LYS 4 HG3 LYS 4 -1.584 -8.286 3.644 35 HD2 LYS 4 HD2 LYS 4 -2.253 -6.987 6.301 36 HD3 LYS 4 HD3 LYS 4 -2.679 -8.665 5.879 37 HE2 LYS 4 HE2 LYS 4 -0.371 -9.267 5.647 38 HE3 LYS 4 HE3 LYS 4 0.144 -7.569 5.792 39 HZ1 LYS 4 HZ1 LYS 4 -0.182 -7.593 8.029 40 HZ2 LYS 4 HZ2 LYS 4 0.211 -9.191 7.825 41 HZ3 LYS 4 HZ3 LYS 4 -1.378 -8.745 7.990 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.416 -1.401 0.635 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.153 1.688 46 HG LEU 5 HG LEU 5 -1.559 0.812 2.704 47 HD11 LEU 5 HD11 LEU 5 0.683 0.322 2.054 48 HD12 LEU 5 HD12 LEU 5 0.194 1.787 1.204 49 HD13 LEU 5 HD13 LEU 5 0.240 0.245 0.349 50 HD21 LEU 5 HD21 LEU 5 -2.266 2.307 0.996 51 HD22 LEU 5 HD22 LEU 5 -3.378 0.938 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.110 1.070 -0.251 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.391 6.829 56 HG11 VAL 6 HG11 VAL 6 0.914 0.132 9.081 57 HG12 VAL 6 HG12 VAL 6 -0.817 -0.183 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.121 1.247 8.189 59 HG21 VAL 6 HG21 VAL 6 -0.882 -2.365 7.366 60 HG22 VAL 6 HG22 VAL 6 0.537 -2.306 8.413 61 HG23 VAL 6 HG23 VAL 6 0.726 -2.625 6.688 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.984 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.132 3.927 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.915 2.520 3.983 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.096 4.423 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.984 4.973 69 HG23 ILE 7 HG23 ILE 7 -2.833 6.167 6.145 70 HD11 ILE 7 HD11 ILE 7 -4.343 3.567 2.312 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.091 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.058 3.681 3.920 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.334 76 HB3 ASN 8 HB3 ASN 8 2.396 5.347 8.658 77 HD21 ASN 8 HD21 ASN 8 3.574 4.445 10.758 78 HD22 ASN 8 HD22 ASN 8 3.196 5.406 12.230 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.707 13.834 8.499 85 HB3 LYS 10 HB3 LYS 10 -1.451 14.382 10.169 86 HG2 LYS 10 HG2 LYS 10 0.820 14.159 10.047 87 HG3 LYS 10 HG3 LYS 10 0.738 12.838 8.856 88 HD2 LYS 10 HD2 LYS 10 1.603 14.682 7.666 89 HD3 LYS 10 HD3 LYS 10 -0.117 14.600 7.208 90 HE2 LYS 10 HE2 LYS 10 -0.676 16.408 8.659 91 HE3 LYS 10 HE3 LYS 10 0.925 16.368 9.435 92 HZ1 LYS 10 HZ1 LYS 10 0.238 17.299 6.724 93 HZ2 LYS 10 HZ2 LYS 10 1.798 16.920 7.141 94 HZ3 LYS 10 HZ3 LYS 10 1.000 18.134 7.941 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.825 14.217 9.492 98 HG1 THR 11 HG1 THR 11 -7.826 13.869 8.982 99 HG21 THR 11 HG21 THR 11 -5.271 12.682 6.964 100 HG22 THR 11 HG22 THR 11 -4.388 14.056 7.631 101 HG23 THR 11 HG23 THR 11 -6.011 14.282 6.981 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.905 9.384 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.718 6.071 106 HG LEU 12 HG LEU 12 -6.178 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.048 7.041 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.569 6.057 6.527 109 HD13 LEU 12 HD13 LEU 12 -8.875 7.793 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.005 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.361 6.277 4.310 112 HD23 LEU 12 HD23 LEU 12 -6.047 7.444 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -3.880 4.609 11.493 116 HB3 LYS 13 HB3 LYS 13 -3.899 6.381 11.410 117 HG2 LYS 13 HG2 LYS 13 -6.480 6.111 11.615 118 HG3 LYS 13 HG3 LYS 13 -6.080 4.487 12.226 119 HD2 LYS 13 HD2 LYS 13 -4.750 5.416 14.006 120 HD3 LYS 13 HD3 LYS 13 -4.913 7.058 13.333 121 HE2 LYS 13 HE2 LYS 13 -7.283 5.398 14.218 122 HE3 LYS 13 HE3 LYS 13 -6.402 6.484 15.317 123 HZ1 LYS 13 HZ1 LYS 13 -6.962 8.322 13.916 124 HZ2 LYS 13 HZ2 LYS 13 -8.360 7.512 14.287 125 HZ3 LYS 13 HZ3 LYS 13 -7.677 7.337 12.786 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -3.942 -2.189 7.974 132 HB3 GLU 15 HB3 GLU 15 -5.684 -2.520 8.061 133 HG2 GLU 15 HG2 GLU 15 -5.440 -3.858 5.948 134 HG3 GLU 15 HG3 GLU 15 -3.680 -3.660 6.107 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.281 -0.837 2.610 138 HG1 THR 16 HG1 THR 16 -8.570 -2.134 1.498 139 HG21 THR 16 HG21 THR 16 -4.802 -0.841 1.987 140 HG22 THR 16 HG22 THR 16 -5.944 -0.171 0.822 141 HG23 THR 16 HG23 THR 16 -5.285 -1.788 0.581 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.467 -7.856 1.229 145 HG1 THR 17 HG1 THR 17 -7.877 -6.500 1.896 146 HG21 THR 17 HG21 THR 17 -5.537 -8.088 3.490 147 HG22 THR 17 HG22 THR 17 -6.538 -6.655 3.726 148 HG23 THR 17 HG23 THR 17 -4.818 -6.481 3.385 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.093 -4.536 -3.124 152 HG1 THR 18 HG1 THR 18 -6.411 -5.118 -4.772 153 HG21 THR 18 HG21 THR 18 -3.248 -6.150 -4.754 154 HG22 THR 18 HG22 THR 18 -2.961 -6.181 -3.014 155 HG23 THR 18 HG23 THR 18 -2.982 -4.644 -3.878 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.753 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.603 -5.463 160 HG2 LYS 19 HG2 LYS 19 -6.682 -10.381 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.017 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.511 -12.598 -3.221 163 HD3 LYS 19 HD3 LYS 19 -7.074 -12.651 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.330 165 HE3 LYS 19 HE3 LYS 19 -6.486 -14.437 -4.208 166 HZ1 LYS 19 HZ1 LYS 19 -8.737 -13.815 -3.090 167 HZ2 LYS 19 HZ2 LYS 19 -8.709 -14.829 -4.402 168 HZ3 LYS 19 HZ3 LYS 19 -9.122 -13.234 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.970 -12.793 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.470 -13.263 -10.589 178 HG12 VAL 21 HG12 VAL 21 -1.066 -12.866 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.817 -11.654 -11.222 180 HG21 VAL 21 HG21 VAL 21 -0.153 -10.033 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.871 -10.998 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.534 -10.323 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.603 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.326 -10.821 -9.943 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 6.965 -4.980 -9.617 195 HB3 GLU 24 HB3 GLU 24 5.532 -5.538 -10.503 196 HG2 GLU 24 HG2 GLU 24 5.025 -3.073 -10.923 197 HG3 GLU 24 HG3 GLU 24 6.676 -2.753 -10.341 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.798 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.901 -7.106 -11.648 202 HG21 THR 25 HG21 THR 25 -0.733 -4.607 -11.363 203 HG22 THR 25 HG22 THR 25 -1.272 -5.684 -10.076 204 HG23 THR 25 HG23 THR 25 -0.985 -6.321 -11.696 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.774 -5.971 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.206 -7.609 214 HG2 GLU 27 HG2 GLU 27 3.761 1.104 -6.571 215 HG3 GLU 27 HG3 GLU 27 4.528 0.428 -5.116 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.038 -0.942 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.030 0.740 -11.194 220 HG2 LYS 28 HG2 LYS 28 2.383 0.750 -11.286 221 HG3 LYS 28 HG3 LYS 28 2.452 -0.881 -10.572 222 HD2 LYS 28 HD2 LYS 28 1.662 -1.901 -12.504 223 HD3 LYS 28 HD3 LYS 28 0.897 -0.408 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.003 0.531 -13.705 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.736 -12.830 226 HZ1 LYS 28 HZ1 LYS 28 3.029 -2.339 -14.433 227 HZ2 LYS 28 HZ2 LYS 28 3.914 -1.155 -15.186 228 HZ3 LYS 28 HZ3 LYS 28 2.258 -1.126 -15.267 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.016 -3.683 237 HB3 PHE 30 HB3 PHE 30 -0.681 0.818 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.434 -2.030 239 HD2 PHE 30 HD2 PHE 30 0.464 -2.174 -3.127 240 HE1 PHE 30 HE1 PHE 30 -4.040 -2.615 -1.194 241 HE2 PHE 30 HE2 PHE 30 -0.306 -4.356 -2.294 242 HZ PHE 30 HZ PHE 30 -2.560 -4.578 -1.324 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.593 3.713 -7.271 246 HB3 LYS 31 HB3 LYS 31 0.738 5.399 -6.735 247 HG2 LYS 31 HG2 LYS 31 2.106 4.262 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.352 3.004 -5.991 249 HD2 LYS 31 HD2 LYS 31 3.123 4.813 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.054 5.947 -6.184 251 HE2 LYS 31 HE2 LYS 31 4.852 4.984 -5.120 252 HE3 LYS 31 HE3 LYS 31 4.575 3.390 -5.860 253 HZ1 LYS 31 HZ1 LYS 31 5.563 5.750 -7.346 254 HZ2 LYS 31 HZ2 LYS 31 5.464 4.190 -7.901 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.577 -6.708 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.506 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.330 4.790 -7.676 261 HG3 GLN 32 HG3 GLN 32 -5.702 5.283 -9.265 262 HE21 GLN 32 HE21 GLN 32 -8.277 4.009 -8.243 263 HE22 GLN 32 HE22 GLN 32 -8.505 2.605 -9.342 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.028 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.535 -2.832 268 HD1 TYR 33 HD2 TYR 33 -5.150 3.825 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.560 -2.751 270 HE1 TYR 33 HE2 TYR 33 -6.525 3.781 1.343 271 HE2 TYR 33 HE1 TYR 33 -9.490 1.510 -0.718 272 HH TYR 33 HH TYR 33 -8.640 1.845 2.098 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.433 8.930 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.069 8.441 -6.386 282 HD21 ASN 35 HD21 ASN 35 -4.079 9.567 -8.281 283 HD22 ASN 35 HD22 ASN 35 -4.119 11.363 -8.337 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.268 6.766 -4.431 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.836 -4.702 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.042 291 HB3 ASN 37 HB3 ASN 37 -7.758 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.930 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.599 5.607 -1.063 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.630 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.343 8.888 3.695 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.081 2.239 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.615 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.010 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.462 2.293 305 HG23 VAL 39 HG23 VAL 39 -3.474 9.481 3.708 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.401 12.550 -1.147 309 HB3 ASP 40 HB3 ASP 40 1.083 13.278 0.323 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.700 3.441 316 HG11 VAL 42 HG11 VAL 42 9.235 5.747 2.247 317 HG12 VAL 42 HG12 VAL 42 10.398 6.799 3.055 318 HG13 VAL 42 HG13 VAL 42 10.196 6.889 1.306 319 HG21 VAL 42 HG21 VAL 42 10.228 9.173 2.565 320 HG22 VAL 42 HG22 VAL 42 8.638 9.873 2.866 321 HG23 VAL 42 HG23 VAL 42 9.128 9.472 1.222 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.983 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.934 6.244 -1.916 327 HE1 TRP 43 HE1 TRP 43 3.417 6.587 -2.447 328 HE3 TRP 43 HE3 TRP 43 4.307 1.510 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.078 4.993 -2.409 330 HZ3 TRP 43 HZ3 TRP 43 1.917 0.998 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.337 2.705 -1.902 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.669 -0.140 3.543 335 HG1 THR 44 HG1 THR 44 7.534 1.695 3.897 336 HG21 THR 44 HG21 THR 44 10.941 1.895 2.839 337 HG22 THR 44 HG22 THR 44 10.575 1.797 4.562 338 HG23 THR 44 HG23 THR 44 9.637 2.870 3.522 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.674 -2.548 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.130 -0.814 343 HD1 TYR 45 HD1 TYR 45 6.134 -4.586 0.442 344 HD2 TYR 45 HD2 TYR 45 9.497 -5.036 -2.125 345 HE1 TYR 45 HE1 TYR 45 5.389 -6.858 -0.130 346 HE2 TYR 45 HE2 TYR 45 8.761 -7.310 -2.705 347 HH TYR 45 HH TYR 45 7.338 -9.109 -1.640 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.865 -5.219 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.221 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.012 -9.865 -0.944 355 HB3 ASP 47 HB3 ASP 47 11.004 -8.627 -0.141 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.512 6.394 364 HG1 THR 49 HG1 THR 49 6.499 -8.118 5.544 365 HG21 THR 49 HG21 THR 49 5.377 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.118 7.527 367 HG23 THR 49 HG23 THR 49 6.527 -10.824 7.153 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.526 1.637 371 HB3 LYS 50 HB3 LYS 50 2.794 -9.749 0.045 372 HG2 LYS 50 HG2 LYS 50 4.885 -11.693 1.019 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.216 374 HD2 LYS 50 HD2 LYS 50 3.999 -10.612 -1.661 375 HD3 LYS 50 HD3 LYS 50 5.602 -10.494 -0.894 376 HE2 LYS 50 HE2 LYS 50 6.188 -12.623 -1.475 377 HE3 LYS 50 HE3 LYS 50 4.516 -13.227 -1.385 378 HZ1 LYS 50 HZ1 LYS 50 4.053 -12.215 -3.482 379 HZ2 LYS 50 HZ2 LYS 50 5.423 -13.134 -3.658 380 HZ3 LYS 50 HZ3 LYS 50 5.543 -11.484 -3.545 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.924 4.985 384 HG1 THR 51 HG1 THR 51 1.829 -6.894 4.749 385 HG21 THR 51 HG21 THR 51 3.339 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.054 -4.565 6.293 387 HG23 THR 51 HG23 THR 51 1.812 -4.548 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.042 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.347 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.122 -4.109 -0.744 394 HE1 PHE 52 HE2 PHE 52 6.141 -2.595 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.925 -5.361 -2.704 396 HZ PHE 52 HZ PHE 52 4.937 -4.603 -3.908 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.607 5.228 400 HG1 THR 53 HG1 THR 53 5.335 -1.374 5.810 401 HG21 THR 53 HG21 THR 53 5.303 1.873 7.001 402 HG22 THR 53 HG22 THR 53 3.794 1.021 7.332 403 HG23 THR 53 HG23 THR 53 3.837 2.299 6.118 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.143 4.603 2.080 408 HG12 VAL 54 HG12 VAL 54 0.661 5.270 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.533 3.341 410 HG21 VAL 54 HG21 VAL 54 1.638 6.490 1.409 411 HG22 VAL 54 HG22 VAL 54 3.357 6.139 1.234 412 HG23 VAL 54 HG23 VAL 54 2.727 6.716 2.777 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.490 6.409 416 HG1 THR 55 HG1 THR 55 4.824 4.761 7.954 417 HG21 THR 55 HG21 THR 55 4.967 6.781 8.990 418 HG22 THR 55 HG22 THR 55 5.620 8.145 8.082 419 HG23 THR 55 HG23 THR 55 6.702 6.904 8.711 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.454 10.416 6.791 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.972 424 HG2 GLU 56 HG2 GLU 56 1.727 10.790 3.803 425 HG3 GLU 56 HG3 GLU 56 1.239 9.294 4.634 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 1.156 -14.254 -4.198 6 HB3 MET 1 HB3 MET 1 0.904 -12.570 -3.700 7 HG2 MET 1 HG2 MET 1 2.125 -13.505 -1.953 8 HG3 MET 1 HG3 MET 1 0.447 -13.521 -1.361 9 HE1 MET 1 HE1 MET 1 3.401 -16.750 -1.930 10 HE2 MET 1 HE2 MET 1 3.395 -15.158 -2.690 11 HE3 MET 1 HE3 MET 1 2.685 -16.538 -3.528 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.951 -12.922 0.406 15 HB3 GLN 2 HB3 GLN 2 -3.273 -11.242 0.877 16 HG2 GLN 2 HG2 GLN 2 -5.291 -11.171 -0.270 17 HG3 GLN 2 HG3 GLN 2 -4.862 -12.545 -1.316 18 HE21 GLN 2 HE21 GLN 2 -7.292 -12.266 0.098 19 HE22 GLN 2 HE22 GLN 2 -7.361 -13.587 1.315 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.905 -2.052 23 HB3 TYR 3 HB3 TYR 3 0.577 -6.527 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.767 -9.204 -3.265 25 HD2 TYR 3 HD2 TYR 3 2.681 -7.325 -1.622 26 HE1 TYR 3 HE1 TYR 3 0.667 -10.562 -4.729 27 HE2 TYR 3 HE2 TYR 3 4.122 -8.679 -3.084 28 HH TYR 3 HH TYR 3 3.963 -9.911 -5.202 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.165 -6.406 4.155 32 HB3 LYS 4 HB3 LYS 4 -1.564 -5.436 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.043 -7.319 3.933 34 HG3 LYS 4 HG3 LYS 4 -1.577 -8.287 3.643 35 HD2 LYS 4 HD2 LYS 4 -2.254 -6.992 6.299 36 HD3 LYS 4 HD3 LYS 4 -2.673 -8.670 5.876 37 HE2 LYS 4 HE2 LYS 4 -0.363 -9.264 5.646 38 HE3 LYS 4 HE3 LYS 4 0.146 -7.566 5.793 39 HZ1 LYS 4 HZ1 LYS 4 -0.183 -7.591 8.029 40 HZ2 LYS 4 HZ2 LYS 4 0.216 -9.187 7.826 41 HZ3 LYS 4 HZ3 LYS 4 -1.374 -8.746 7.989 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.419 -1.403 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.151 1.690 46 HG LEU 5 HG LEU 5 -1.554 0.813 2.702 47 HD11 LEU 5 HD11 LEU 5 0.686 0.318 2.048 48 HD12 LEU 5 HD12 LEU 5 0.199 1.782 1.197 49 HD13 LEU 5 HD13 LEU 5 0.240 0.240 0.344 50 HD21 LEU 5 HD21 LEU 5 -2.260 2.307 0.993 51 HD22 LEU 5 HD22 LEU 5 -3.375 0.941 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.068 -0.253 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.388 6.831 56 HG11 VAL 6 HG11 VAL 6 0.911 0.130 9.083 57 HG12 VAL 6 HG12 VAL 6 -0.819 -0.189 8.950 58 HG13 VAL 6 HG13 VAL 6 -0.126 1.244 8.192 59 HG21 VAL 6 HG21 VAL 6 -0.878 -2.368 7.362 60 HG22 VAL 6 HG22 VAL 6 0.540 -2.308 8.410 61 HG23 VAL 6 HG23 VAL 6 0.731 -2.623 6.685 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.983 5.930 65 HG12 ILE 7 HG12 ILE 7 -2.132 3.929 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.914 2.520 3.982 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.096 4.424 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.984 4.974 69 HG23 ILE 7 HG23 ILE 7 -2.834 6.166 6.146 70 HD11 ILE 7 HD11 ILE 7 -4.342 3.568 2.311 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.092 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.057 3.681 3.919 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.333 76 HB3 ASN 8 HB3 ASN 8 2.396 5.347 8.658 77 HD21 ASN 8 HD21 ASN 8 3.851 5.281 10.404 78 HD22 ASN 8 HD22 ASN 8 3.363 5.908 12.017 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.707 13.834 8.500 85 HB3 LYS 10 HB3 LYS 10 -1.451 14.382 10.169 86 HG2 LYS 10 HG2 LYS 10 0.821 14.158 10.046 87 HG3 LYS 10 HG3 LYS 10 0.738 12.838 8.855 88 HD2 LYS 10 HD2 LYS 10 1.603 14.682 7.665 89 HD3 LYS 10 HD3 LYS 10 -0.117 14.600 7.208 90 HE2 LYS 10 HE2 LYS 10 -0.676 16.408 8.659 91 HE3 LYS 10 HE3 LYS 10 0.925 16.368 9.435 92 HZ1 LYS 10 HZ1 LYS 10 0.237 17.299 6.723 93 HZ2 LYS 10 HZ2 LYS 10 1.797 16.920 7.140 94 HZ3 LYS 10 HZ3 LYS 10 1.000 18.134 7.940 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.473 13.461 7.912 98 HG1 THR 11 HG1 THR 11 -5.508 15.223 9.045 99 HG21 THR 11 HG21 THR 11 -7.894 12.762 9.557 100 HG22 THR 11 HG22 THR 11 -7.572 12.389 7.863 101 HG23 THR 11 HG23 THR 11 -7.880 14.054 8.357 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.905 9.384 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.719 6.071 106 HG LEU 12 HG LEU 12 -6.176 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.047 7.040 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.568 6.055 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.875 7.792 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.004 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.360 6.276 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.047 7.444 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.481 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.900 4.600 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.957 6.933 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.375 7.557 11.714 119 HD2 LYS 13 HD2 LYS 13 -3.692 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.590 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.552 8.605 13.064 122 HE3 LYS 13 HE3 LYS 13 -1.714 7.609 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.247 6.816 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.241 8.473 12.533 125 HZ3 LYS 13 HZ3 LYS 13 -1.077 7.616 11.385 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -3.939 -2.191 7.972 132 HB3 GLU 15 HB3 GLU 15 -5.682 -2.518 8.064 133 HG2 GLU 15 HG2 GLU 15 -5.447 -3.858 5.950 134 HG3 GLU 15 HG3 GLU 15 -3.686 -3.664 6.104 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.279 -0.836 2.610 138 HG1 THR 16 HG1 THR 16 -8.571 -2.132 1.501 139 HG21 THR 16 HG21 THR 16 -4.801 -0.843 1.984 140 HG22 THR 16 HG22 THR 16 -5.944 -0.173 0.820 141 HG23 THR 16 HG23 THR 16 -5.287 -1.791 0.579 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.923 -6.912 2.780 145 HG1 THR 17 HG1 THR 17 -5.172 -8.180 0.346 146 HG21 THR 17 HG21 THR 17 -7.833 -8.000 2.195 147 HG22 THR 17 HG22 THR 17 -7.435 -8.026 0.477 148 HG23 THR 17 HG23 THR 17 -8.021 -6.540 1.223 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.090 -4.536 -3.123 152 HG1 THR 18 HG1 THR 18 -6.413 -5.114 -4.769 153 HG21 THR 18 HG21 THR 18 -3.252 -6.151 -4.758 154 HG22 THR 18 HG22 THR 18 -2.961 -6.185 -3.018 155 HG23 THR 18 HG23 THR 18 -2.981 -4.647 -3.881 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.725 -10.223 -5.753 159 HB3 LYS 19 HB3 LYS 19 -5.651 -11.603 -5.463 160 HG2 LYS 19 HG2 LYS 19 -6.681 -10.382 -3.001 161 HG3 LYS 19 HG3 LYS 19 -7.954 -11.017 -4.072 162 HD2 LYS 19 HD2 LYS 19 -5.510 -12.599 -3.222 163 HD3 LYS 19 HD3 LYS 19 -7.073 -12.652 -2.369 164 HE2 LYS 19 HE2 LYS 19 -6.979 -13.146 -5.330 165 HE3 LYS 19 HE3 LYS 19 -6.486 -14.438 -4.210 166 HZ1 LYS 19 HZ1 LYS 19 -8.736 -13.816 -3.090 167 HZ2 LYS 19 HZ2 LYS 19 -8.708 -14.830 -4.403 168 HZ3 LYS 19 HZ3 LYS 19 -9.121 -13.235 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.967 -12.796 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.476 -13.255 -10.590 178 HG12 VAL 21 HG12 VAL 21 -1.069 -12.860 -12.260 179 HG13 VAL 21 HG13 VAL 21 -1.815 -11.644 -11.224 180 HG21 VAL 21 HG21 VAL 21 -0.144 -10.031 -11.529 181 HG22 VAL 21 HG22 VAL 21 0.876 -11.001 -12.592 182 HG23 VAL 21 HG23 VAL 21 1.542 -10.329 -11.103 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.357 -9.605 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.325 -10.820 -9.945 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.724 -5.694 -10.348 195 HB3 GLU 24 HB3 GLU 24 5.697 -3.946 -10.649 196 HG2 GLU 24 HG2 GLU 24 7.651 -3.791 -9.015 197 HG3 GLU 24 HG3 GLU 24 7.754 -5.562 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.796 -6.737 -9.908 201 HG1 THR 25 HG1 THR 25 1.902 -7.107 -11.646 202 HG21 THR 25 HG21 THR 25 -0.731 -4.606 -11.366 203 HG22 THR 25 HG22 THR 25 -1.273 -5.683 -10.079 204 HG23 THR 25 HG23 THR 25 -0.984 -6.320 -11.698 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.775 -5.973 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.204 -7.610 214 HG2 GLU 27 HG2 GLU 27 3.762 1.104 -6.567 215 HG3 GLU 27 HG3 GLU 27 4.529 0.424 -5.113 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.026 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.387 0.741 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.448 -0.890 -10.569 222 HD2 LYS 28 HD2 LYS 28 1.656 -1.906 -12.502 223 HD3 LYS 28 HD3 LYS 28 0.899 -0.410 -13.102 224 HE2 LYS 28 HE2 LYS 28 3.010 0.520 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.751 -12.825 226 HZ1 LYS 28 HZ1 LYS 28 3.024 -2.351 -14.429 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.171 -15.181 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.134 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.062 0.018 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.683 0.817 -2.281 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.440 -2.034 239 HD2 PHE 30 HD2 PHE 30 0.468 -2.172 -3.129 240 HE1 PHE 30 HE1 PHE 30 -4.038 -2.623 -1.202 241 HE2 PHE 30 HE2 PHE 30 -0.300 -4.356 -2.301 242 HZ PHE 30 HZ PHE 30 -2.555 -4.584 -1.333 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.593 3.712 -7.270 246 HB3 LYS 31 HB3 LYS 31 0.737 5.398 -6.736 247 HG2 LYS 31 HG2 LYS 31 2.105 4.266 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.353 3.006 -5.989 249 HD2 LYS 31 HD2 LYS 31 3.123 4.814 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.052 5.950 -6.185 251 HE2 LYS 31 HE2 LYS 31 4.851 4.990 -5.119 252 HE3 LYS 31 HE3 LYS 31 4.576 3.395 -5.858 253 HZ1 LYS 31 HZ1 LYS 31 5.562 5.754 -7.346 254 HZ2 LYS 31 HZ2 LYS 31 5.465 4.194 -7.900 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.582 -6.707 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.784 3.999 -9.056 259 HB3 GLN 32 HB3 GLN 32 -4.506 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.149 3.871 -9.429 261 HG3 GLN 32 HG3 GLN 32 -6.487 4.292 -7.734 262 HE21 GLN 32 HE21 GLN 32 -7.782 5.777 -9.431 263 HE22 GLN 32 HE22 GLN 32 -7.026 7.396 -9.627 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.029 1.920 -3.772 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.534 -2.832 268 HD1 TYR 33 HD2 TYR 33 -5.149 3.825 -0.696 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.560 -2.750 270 HE1 TYR 33 HE2 TYR 33 -6.523 3.781 1.343 271 HE2 TYR 33 HE1 TYR 33 -9.490 1.511 -0.716 272 HH TYR 33 HH TYR 33 -8.638 1.846 2.098 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -2.433 8.930 -5.894 281 HB3 ASN 35 HB3 ASN 35 -4.069 8.441 -6.386 282 HD21 ASN 35 HD21 ASN 35 -3.656 9.595 -8.342 283 HD22 ASN 35 HD22 ASN 35 -3.863 11.380 -8.374 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.266 6.765 -4.433 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.835 -4.700 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.041 291 HB3 ASN 37 HB3 ASN 37 -7.757 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.932 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.601 5.608 -1.062 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.629 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.344 8.888 3.696 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.082 2.240 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.517 2.616 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.009 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.462 2.292 305 HG23 VAL 39 HG23 VAL 39 -3.475 9.481 3.707 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.551 -1.144 309 HB3 ASP 40 HB3 ASP 40 1.086 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.701 3.441 316 HG11 VAL 42 HG11 VAL 42 9.234 5.747 2.249 317 HG12 VAL 42 HG12 VAL 42 10.397 6.799 3.056 318 HG13 VAL 42 HG13 VAL 42 10.195 6.887 1.307 319 HG21 VAL 42 HG21 VAL 42 10.228 9.172 2.564 320 HG22 VAL 42 HG22 VAL 42 8.639 9.874 2.865 321 HG23 VAL 42 HG23 VAL 42 9.129 9.471 1.221 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.435 3.985 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.579 2.507 -1.209 326 HD1 TRP 43 HD1 TRP 43 5.929 6.243 -1.915 327 HE1 TRP 43 HE1 TRP 43 3.411 6.581 -2.445 328 HE3 TRP 43 HE3 TRP 43 4.311 1.505 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.075 4.983 -2.406 330 HZ3 TRP 43 HZ3 TRP 43 1.922 0.988 -1.158 331 HH2 TRP 43 HH2 TRP 43 0.338 2.692 -1.901 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.665 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.538 1.703 3.895 336 HG21 THR 44 HG21 THR 44 10.945 1.887 2.838 337 HG22 THR 44 HG22 THR 44 10.579 1.793 4.561 338 HG23 THR 44 HG23 THR 44 9.646 2.868 3.519 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.676 -2.547 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.347 -3.132 -0.814 343 HD1 TYR 45 HD1 TYR 45 6.131 -4.582 0.441 344 HD2 TYR 45 HD2 TYR 45 9.494 -5.038 -2.125 345 HE1 TYR 45 HE1 TYR 45 5.381 -6.852 -0.131 346 HE2 TYR 45 HE2 TYR 45 8.753 -7.311 -2.705 347 HH TYR 45 HH TYR 45 7.326 -9.107 -1.641 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.865 -5.219 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.221 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.706 -8.631 -0.543 355 HB3 ASP 47 HB3 ASP 47 11.204 -9.852 0.649 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.167 -9.510 6.392 364 HG1 THR 49 HG1 THR 49 6.503 -8.121 5.547 365 HG21 THR 49 HG21 THR 49 5.372 -9.973 8.185 366 HG22 THR 49 HG22 THR 49 6.769 -9.122 7.529 367 HG23 THR 49 HG23 THR 49 6.522 -10.827 7.154 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.677 -10.524 1.636 371 HB3 LYS 50 HB3 LYS 50 2.796 -9.750 0.044 372 HG2 LYS 50 HG2 LYS 50 4.883 -11.694 1.023 373 HG3 LYS 50 HG3 LYS 50 3.389 -12.236 0.218 374 HD2 LYS 50 HD2 LYS 50 4.003 -10.616 -1.660 375 HD3 LYS 50 HD3 LYS 50 5.605 -10.499 -0.890 376 HE2 LYS 50 HE2 LYS 50 6.189 -12.629 -1.467 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.232 -1.379 378 HZ1 LYS 50 HZ1 LYS 50 4.059 -12.222 -3.478 379 HZ2 LYS 50 HZ2 LYS 50 5.428 -13.143 -3.650 380 HZ3 LYS 50 HZ3 LYS 50 5.549 -11.492 -3.540 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.927 4.985 384 HG1 THR 51 HG1 THR 51 1.825 -6.888 4.749 385 HG21 THR 51 HG21 THR 51 3.346 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.058 -4.564 6.293 387 HG23 THR 51 HG23 THR 51 1.816 -4.542 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.045 0.448 391 HB3 PHE 52 HB3 PHE 52 3.370 -0.820 0.193 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.340 -1.181 393 HD2 PHE 52 HD1 PHE 52 2.128 -4.110 -0.747 394 HE1 PHE 52 HE2 PHE 52 6.145 -2.584 -3.144 395 HE2 PHE 52 HE1 PHE 52 2.936 -5.358 -2.709 396 HZ PHE 52 HZ PHE 52 4.947 -4.594 -3.910 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.608 5.228 400 HG1 THR 53 HG1 THR 53 5.336 -1.374 5.809 401 HG21 THR 53 HG21 THR 53 5.302 1.873 7.002 402 HG22 THR 53 HG22 THR 53 3.794 1.020 7.332 403 HG23 THR 53 HG23 THR 53 3.835 2.298 6.119 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.604 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.272 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.535 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.357 6.137 1.232 412 HG23 VAL 54 HG23 VAL 54 2.729 6.716 2.775 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.469 6.493 6.410 416 HG1 THR 55 HG1 THR 55 4.826 4.757 7.949 417 HG21 THR 55 HG21 THR 55 4.964 6.775 8.991 418 HG22 THR 55 HG22 THR 55 5.616 8.142 8.087 419 HG23 THR 55 HG23 THR 55 6.700 6.901 8.713 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.454 10.416 6.791 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.972 424 HG2 GLU 56 HG2 GLU 56 1.739 10.772 3.802 425 HG3 GLU 56 HG3 GLU 56 1.221 9.293 4.646 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 1.156 -14.252 -4.200 6 HB3 MET 1 HB3 MET 1 0.904 -12.569 -3.698 7 HG2 MET 1 HG2 MET 1 2.077 -13.424 -1.915 8 HG3 MET 1 HG3 MET 1 0.396 -13.615 -1.364 9 HE1 MET 1 HE1 MET 1 1.220 -16.626 0.324 10 HE2 MET 1 HE2 MET 1 1.398 -14.872 0.359 11 HE3 MET 1 HE3 MET 1 2.803 -15.895 0.059 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -4.142 -12.578 -0.336 15 HB3 GLN 2 HB3 GLN 2 -2.720 -12.571 0.726 16 HG2 GLN 2 HG2 GLN 2 -3.168 -10.141 1.163 17 HG3 GLN 2 HG3 GLN 2 -4.693 -10.326 0.266 18 HE21 GLN 2 HE21 GLN 2 -4.272 -9.570 3.041 19 HE22 GLN 2 HE22 GLN 2 -5.131 -10.807 4.023 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.902 -2.050 23 HB3 TYR 3 HB3 TYR 3 0.580 -6.529 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.776 -9.199 -3.267 25 HD2 TYR 3 HD2 TYR 3 2.680 -7.332 -1.627 26 HE1 TYR 3 HE1 TYR 3 0.652 -10.559 -4.735 27 HE2 TYR 3 HE2 TYR 3 4.115 -8.687 -3.094 28 HH TYR 3 HH TYR 3 3.949 -9.916 -5.213 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -1.652 -7.201 4.021 32 HB3 LYS 4 HB3 LYS 4 -0.157 -6.261 4.206 33 HG2 LYS 4 HG2 LYS 4 -1.557 -4.301 4.886 34 HG3 LYS 4 HG3 LYS 4 -2.976 -5.376 4.865 35 HD2 LYS 4 HD2 LYS 4 -0.485 -5.889 6.516 36 HD3 LYS 4 HD3 LYS 4 -1.930 -5.048 7.131 37 HE2 LYS 4 HE2 LYS 4 -3.291 -6.992 6.797 38 HE3 LYS 4 HE3 LYS 4 -1.983 -7.826 5.925 39 HZ1 LYS 4 HZ1 LYS 4 -0.892 -8.274 7.854 40 HZ2 LYS 4 HZ2 LYS 4 -2.441 -8.276 8.446 41 HZ3 LYS 4 HZ3 LYS 4 -1.476 -6.946 8.663 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.420 -1.404 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.150 1.691 46 HG LEU 5 HG LEU 5 -1.552 0.813 2.701 47 HD11 LEU 5 HD11 LEU 5 0.687 0.316 2.046 48 HD12 LEU 5 HD12 LEU 5 0.201 1.781 1.194 49 HD13 LEU 5 HD13 LEU 5 0.240 0.238 0.342 50 HD21 LEU 5 HD21 LEU 5 -2.258 2.307 0.992 51 HD22 LEU 5 HD22 LEU 5 -3.374 0.942 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.068 -0.254 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.391 6.829 56 HG11 VAL 6 HG11 VAL 6 0.914 0.132 9.081 57 HG12 VAL 6 HG12 VAL 6 -0.816 -0.182 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.120 1.248 8.188 59 HG21 VAL 6 HG21 VAL 6 -0.882 -2.364 7.367 60 HG22 VAL 6 HG22 VAL 6 0.537 -2.306 8.413 61 HG23 VAL 6 HG23 VAL 6 0.725 -2.625 6.689 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.984 5.931 65 HG12 ILE 7 HG12 ILE 7 -2.133 3.926 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.916 2.519 3.984 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.095 4.422 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.983 4.971 69 HG23 ILE 7 HG23 ILE 7 -2.832 6.167 6.144 70 HD11 ILE 7 HD11 ILE 7 -4.344 3.565 2.313 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.090 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.059 3.681 3.921 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.334 76 HB3 ASN 8 HB3 ASN 8 2.396 5.347 8.657 77 HD21 ASN 8 HD21 ASN 8 1.361 3.725 11.467 78 HD22 ASN 8 HD22 ASN 8 1.866 4.978 12.655 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.707 13.834 8.500 85 HB3 LYS 10 HB3 LYS 10 -1.451 14.382 10.169 86 HG2 LYS 10 HG2 LYS 10 0.726 12.859 8.782 87 HG3 LYS 10 HG3 LYS 10 0.457 14.572 8.379 88 HD2 LYS 10 HD2 LYS 10 0.563 15.042 10.874 89 HD3 LYS 10 HD3 LYS 10 1.136 13.367 11.072 90 HE2 LYS 10 HE2 LYS 10 3.052 13.898 9.490 91 HE3 LYS 10 HE3 LYS 10 2.512 15.582 9.454 92 HZ1 LYS 10 HZ1 LYS 10 3.962 15.407 11.331 93 HZ2 LYS 10 HZ2 LYS 10 3.286 13.985 11.854 94 HZ3 LYS 10 HZ3 LYS 10 2.438 15.403 11.994 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -7.031 13.199 8.941 98 HG1 THR 11 HG1 THR 11 -6.362 13.487 6.976 99 HG21 THR 11 HG21 THR 11 -4.535 14.724 9.648 100 HG22 THR 11 HG22 THR 11 -6.112 14.774 10.436 101 HG23 THR 11 HG23 THR 11 -5.911 15.452 8.821 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.906 9.383 6.326 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.720 6.071 106 HG LEU 12 HG LEU 12 -6.173 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.045 7.037 7.894 108 HD12 LEU 12 HD12 LEU 12 -8.565 6.052 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.874 7.788 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.709 8.003 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.357 6.275 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.045 7.445 4.163 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.483 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.902 4.599 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.955 6.930 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.371 7.557 11.713 119 HD2 LYS 13 HD2 LYS 13 -3.691 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.586 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.546 8.602 13.063 122 HE3 LYS 13 HE3 LYS 13 -1.710 7.605 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.244 6.808 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.236 8.465 12.533 125 HZ3 LYS 13 HZ3 LYS 13 -1.073 7.610 11.385 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.704 -2.555 8.026 132 HB3 GLU 15 HB3 GLU 15 -4.676 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -2.840 -1.704 7.705 134 HG3 GLU 15 HG3 GLU 15 -3.902 -1.584 9.127 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -6.980 -2.182 1.173 138 HG1 THR 16 HG1 THR 16 -5.178 -1.028 1.156 139 HG21 THR 16 HG21 THR 16 -8.741 -1.572 2.923 140 HG22 THR 16 HG22 THR 16 -8.437 -0.420 1.622 141 HG23 THR 16 HG23 THR 16 -7.761 -0.137 3.226 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.466 -7.856 1.229 145 HG1 THR 17 HG1 THR 17 -7.877 -6.501 1.895 146 HG21 THR 17 HG21 THR 17 -5.538 -8.087 3.490 147 HG22 THR 17 HG22 THR 17 -6.540 -6.654 3.726 148 HG23 THR 17 HG23 THR 17 -4.819 -6.480 3.386 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.095 -4.536 -3.125 152 HG1 THR 18 HG1 THR 18 -6.410 -5.121 -4.775 153 HG21 THR 18 HG21 THR 18 -3.246 -6.148 -4.751 154 HG22 THR 18 HG22 THR 18 -2.961 -6.178 -3.010 155 HG23 THR 18 HG23 THR 18 -2.983 -4.641 -3.876 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.754 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.461 160 HG2 LYS 19 HG2 LYS 19 -6.683 -10.379 -3.002 161 HG3 LYS 19 HG3 LYS 19 -7.955 -11.015 -4.073 162 HD2 LYS 19 HD2 LYS 19 -5.513 -12.596 -3.219 163 HD3 LYS 19 HD3 LYS 19 -7.077 -12.648 -2.368 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.146 -5.328 165 HE3 LYS 19 HE3 LYS 19 -6.488 -14.436 -4.205 166 HZ1 LYS 19 HZ1 LYS 19 -8.740 -13.812 -3.089 167 HZ2 LYS 19 HZ2 LYS 19 -8.710 -14.828 -4.400 168 HZ3 LYS 19 HZ3 LYS 19 -9.123 -13.233 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 -0.780 -12.218 -11.110 177 HG11 VAL 21 HG11 VAL 21 0.220 -9.899 -11.166 178 HG12 VAL 21 HG12 VAL 21 0.487 -10.879 -12.607 179 HG13 VAL 21 HG13 VAL 21 1.786 -10.664 -11.435 180 HG21 VAL 21 HG21 VAL 21 2.149 -12.952 -11.080 181 HG22 VAL 21 HG22 VAL 21 0.892 -13.525 -12.178 182 HG23 VAL 21 HG23 VAL 21 0.882 -14.026 -10.486 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.603 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.326 -10.821 -9.943 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 6.964 -4.984 -9.617 195 HB3 GLU 24 HB3 GLU 24 5.530 -5.535 -10.505 196 HG2 GLU 24 HG2 GLU 24 5.031 -3.067 -10.920 197 HG3 GLU 24 HG3 GLU 24 6.682 -2.754 -10.336 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.797 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.902 -7.106 -11.647 202 HG21 THR 25 HG21 THR 25 -0.732 -4.607 -11.364 203 HG22 THR 25 HG22 THR 25 -1.272 -5.684 -10.077 204 HG23 THR 25 HG23 THR 25 -0.985 -6.320 -11.697 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.774 -5.971 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.206 -7.609 214 HG2 GLU 27 HG2 GLU 27 3.761 1.104 -6.572 215 HG3 GLU 27 HG3 GLU 27 4.528 0.428 -5.116 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.042 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.027 0.742 -11.195 220 HG2 LYS 28 HG2 LYS 28 2.386 0.742 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.448 -0.888 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.657 -1.905 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.009 0.522 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.749 -12.825 226 HZ1 LYS 28 HZ1 LYS 28 3.025 -2.349 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.169 -15.181 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.133 -15.264 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.060 0.015 -3.683 237 HB3 PHE 30 HB3 PHE 30 -0.681 0.819 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.432 -2.029 239 HD2 PHE 30 HD2 PHE 30 0.463 -2.175 -3.126 240 HE1 PHE 30 HE1 PHE 30 -4.040 -2.612 -1.191 241 HE2 PHE 30 HE2 PHE 30 -0.308 -4.356 -2.292 242 HZ PHE 30 HZ PHE 30 -2.562 -4.577 -1.321 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 1.640 3.853 -6.033 246 HB3 LYS 31 HB3 LYS 31 0.471 3.922 -7.366 247 HG2 LYS 31 HG2 LYS 31 0.186 6.421 -6.494 248 HG3 LYS 31 HG3 LYS 31 1.839 6.129 -5.898 249 HD2 LYS 31 HD2 LYS 31 2.447 5.365 -8.214 250 HD3 LYS 31 HD3 LYS 31 0.835 5.902 -8.750 251 HE2 LYS 31 HE2 LYS 31 1.337 8.131 -8.481 252 HE3 LYS 31 HE3 LYS 31 2.553 7.817 -7.220 253 HZ1 LYS 31 HZ1 LYS 31 2.927 7.146 -10.078 254 HZ2 LYS 31 HZ2 LYS 31 4.069 7.073 -8.877 255 HZ3 LYS 31 HZ3 LYS 31 3.484 8.543 -9.373 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.057 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.419 4.537 -7.671 261 HG3 GLN 32 HG3 GLN 32 -5.716 5.428 -9.041 262 HE21 GLN 32 HE21 GLN 32 -8.252 4.468 -9.225 263 HE22 GLN 32 HE22 GLN 32 -8.290 3.088 -10.376 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.027 1.920 -3.773 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.535 -2.831 268 HD1 TYR 33 HD2 TYR 33 -5.154 3.826 -0.695 269 HD2 TYR 33 HD1 TYR 33 -8.107 1.558 -2.754 270 HE1 TYR 33 HE2 TYR 33 -6.531 3.780 1.342 271 HE2 TYR 33 HE1 TYR 33 -9.492 1.507 -0.723 272 HH TYR 33 HH TYR 33 -8.646 1.842 2.094 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.857 8.280 -6.317 281 HB3 ASN 35 HB3 ASN 35 -3.906 10.055 -6.374 282 HD21 ASN 35 HD21 ASN 35 -2.160 8.874 -7.978 283 HD22 ASN 35 HD22 ASN 35 -0.486 9.052 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.265 6.765 -4.434 287 HB3 ASP 36 HB3 ASP 36 -9.659 7.834 -4.698 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.852 7.530 0.044 291 HB3 ASN 37 HB3 ASN 37 -7.761 8.411 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.923 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.592 5.604 -1.067 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.630 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.343 8.888 3.695 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.081 2.239 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.615 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.010 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.462 2.293 305 HG23 VAL 39 HG23 VAL 39 -3.474 9.481 3.708 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.399 12.551 -1.145 309 HB3 ASP 40 HB3 ASP 40 1.086 13.278 0.324 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.224 7.700 3.441 316 HG11 VAL 42 HG11 VAL 42 9.236 5.747 2.247 317 HG12 VAL 42 HG12 VAL 42 10.398 6.800 3.055 318 HG13 VAL 42 HG13 VAL 42 10.196 6.889 1.306 319 HG21 VAL 42 HG21 VAL 42 10.227 9.173 2.565 320 HG22 VAL 42 HG22 VAL 42 8.637 9.873 2.867 321 HG23 VAL 42 HG23 VAL 42 9.127 9.473 1.223 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.436 3.982 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.576 2.507 -1.208 326 HD1 TRP 43 HD1 TRP 43 5.936 6.244 -1.917 327 HE1 TRP 43 HE1 TRP 43 3.419 6.588 -2.448 328 HE3 TRP 43 HE3 TRP 43 4.306 1.511 -0.886 329 HZ2 TRP 43 HZ2 TRP 43 1.079 4.995 -2.409 330 HZ3 TRP 43 HZ3 TRP 43 1.916 1.000 -1.159 331 HH2 TRP 43 HH2 TRP 43 0.336 2.707 -1.903 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.667 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.536 1.700 3.896 336 HG21 THR 44 HG21 THR 44 10.943 1.891 2.838 337 HG22 THR 44 HG22 THR 44 10.577 1.795 4.561 338 HG23 THR 44 HG23 THR 44 9.642 2.869 3.520 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.674 -2.548 -0.962 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.130 -0.814 343 HD1 TYR 45 HD1 TYR 45 6.135 -4.588 0.443 344 HD2 TYR 45 HD2 TYR 45 9.498 -5.035 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.391 -6.860 -0.129 346 HE2 TYR 45 HE2 TYR 45 8.763 -7.310 -2.705 347 HH TYR 45 HH TYR 45 7.342 -9.110 -1.640 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.867 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.219 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.703 -8.632 -0.545 355 HB3 ASP 47 HB3 ASP 47 11.206 -9.849 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.167 -9.511 6.393 364 HG1 THR 49 HG1 THR 49 6.501 -8.120 5.546 365 HG21 THR 49 HG21 THR 49 5.374 -9.973 8.185 366 HG22 THR 49 HG22 THR 49 6.770 -9.120 7.528 367 HG23 THR 49 HG23 THR 49 6.524 -10.825 7.154 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.677 -10.524 1.636 371 HB3 LYS 50 HB3 LYS 50 2.796 -9.750 0.044 372 HG2 LYS 50 HG2 LYS 50 4.883 -11.694 1.022 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.218 374 HD2 LYS 50 HD2 LYS 50 4.002 -10.615 -1.660 375 HD3 LYS 50 HD3 LYS 50 5.604 -10.498 -0.891 376 HE2 LYS 50 HE2 LYS 50 6.189 -12.628 -1.469 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.231 -1.380 378 HZ1 LYS 50 HZ1 LYS 50 4.057 -12.220 -3.478 379 HZ2 LYS 50 HZ2 LYS 50 5.427 -13.141 -3.652 380 HZ3 LYS 50 HZ3 LYS 50 5.548 -11.490 -3.541 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.488 -5.930 4.985 384 HG1 THR 51 HG1 THR 51 1.823 -6.884 4.749 385 HG21 THR 51 HG21 THR 51 3.351 -3.703 4.780 386 HG22 THR 51 HG22 THR 51 3.062 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.820 -4.538 5.042 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.044 0.448 391 HB3 PHE 52 HB3 PHE 52 3.371 -0.821 0.193 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.342 -1.182 393 HD2 PHE 52 HD1 PHE 52 2.127 -4.110 -0.746 394 HE1 PHE 52 HE2 PHE 52 6.145 -2.586 -3.144 395 HE2 PHE 52 HE1 PHE 52 2.934 -5.358 -2.708 396 HZ PHE 52 HZ PHE 52 4.945 -4.596 -3.910 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.781 0.610 5.229 400 HG1 THR 53 HG1 THR 53 5.339 -1.373 5.807 401 HG21 THR 53 HG21 THR 53 5.300 1.872 7.003 402 HG22 THR 53 HG22 THR 53 3.793 1.016 7.333 403 HG23 THR 53 HG23 THR 53 3.833 2.296 6.120 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.367 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.605 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.272 3.628 409 HG13 VAL 54 HG13 VAL 54 0.753 3.535 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.358 6.137 1.232 412 HG23 VAL 54 HG23 VAL 54 2.729 6.716 2.775 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.488 6.409 416 HG1 THR 55 HG1 THR 55 4.823 4.763 7.955 417 HG21 THR 55 HG21 THR 55 4.968 6.784 8.990 418 HG22 THR 55 HG22 THR 55 5.622 8.146 8.080 419 HG23 THR 55 HG23 THR 55 6.703 6.905 8.710 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.431 10.212 5.205 423 HB3 GLU 56 HB3 GLU 56 1.535 10.680 6.912 424 HG2 GLU 56 HG2 GLU 56 2.445 12.900 6.131 425 HG3 GLU 56 HG3 GLU 56 2.013 12.398 4.480 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -1.060 -13.068 -5.568 2 H2 MET 1 H2 MET 1 -2.124 -14.314 -5.180 3 H3 MET 1 H3 MET 1 -0.502 -14.654 -5.475 4 HA MET 1 HA MET 1 -1.181 -14.666 -3.114 5 HB2 MET 1 HB2 MET 1 0.946 -12.670 -3.956 6 HB3 MET 1 HB3 MET 1 0.868 -13.557 -2.422 7 HG2 MET 1 HG2 MET 1 0.886 -15.654 -4.039 8 HG3 MET 1 HG3 MET 1 1.659 -14.494 -5.144 9 HE1 MET 1 HE1 MET 1 3.247 -16.827 -1.766 10 HE2 MET 1 HE2 MET 1 1.558 -16.455 -2.112 11 HE3 MET 1 HE3 MET 1 2.472 -15.446 -0.991 12 H GLN 2 H GLN 2 -1.591 -13.411 -1.235 13 HA GLN 2 HA GLN 2 -3.069 -10.911 -1.810 14 HB2 GLN 2 HB2 GLN 2 -2.951 -12.922 0.406 15 HB3 GLN 2 HB3 GLN 2 -3.273 -11.242 0.877 16 HG2 GLN 2 HG2 GLN 2 -5.291 -11.171 -0.270 17 HG3 GLN 2 HG3 GLN 2 -4.862 -12.545 -1.316 18 HE21 GLN 2 HE21 GLN 2 -7.292 -12.267 0.098 19 HE22 GLN 2 HE22 GLN 2 -7.361 -13.588 1.315 20 H TYR 3 H TYR 3 -2.359 -8.945 -1.287 21 HA TYR 3 HA TYR 3 0.143 -8.588 0.255 22 HB2 TYR 3 HB2 TYR 3 -0.824 -6.903 -2.050 23 HB3 TYR 3 HB3 TYR 3 0.580 -6.529 -1.025 24 HD1 TYR 3 HD1 TYR 3 -0.775 -9.200 -3.267 25 HD2 TYR 3 HD2 TYR 3 2.680 -7.331 -1.626 26 HE1 TYR 3 HE1 TYR 3 0.654 -10.559 -4.735 27 HE2 TYR 3 HE2 TYR 3 4.116 -8.687 -3.093 28 HH TYR 3 HH TYR 3 3.950 -9.916 -5.212 29 H LYS 4 H LYS 4 0.202 -6.809 1.731 30 HA LYS 4 HA LYS 4 -2.416 -5.612 2.301 31 HB2 LYS 4 HB2 LYS 4 -0.166 -6.409 4.154 32 HB3 LYS 4 HB3 LYS 4 -1.561 -5.435 4.661 33 HG2 LYS 4 HG2 LYS 4 -3.046 -7.313 3.936 34 HG3 LYS 4 HG3 LYS 4 -1.584 -8.286 3.644 35 HD2 LYS 4 HD2 LYS 4 -2.253 -6.988 6.300 36 HD3 LYS 4 HD3 LYS 4 -2.679 -8.665 5.879 37 HE2 LYS 4 HE2 LYS 4 -0.370 -9.267 5.647 38 HE3 LYS 4 HE3 LYS 4 0.144 -7.569 5.792 39 HZ1 LYS 4 HZ1 LYS 4 -0.182 -7.593 8.029 40 HZ2 LYS 4 HZ2 LYS 4 0.211 -9.190 7.825 41 HZ3 LYS 4 HZ3 LYS 4 -1.377 -8.745 7.990 42 H LEU 5 H LEU 5 -2.561 -3.456 2.830 43 HA LEU 5 HA LEU 5 0.035 -1.872 2.532 44 HB2 LEU 5 HB2 LEU 5 -1.419 -1.404 0.634 45 HB3 LEU 5 HB3 LEU 5 -2.816 -1.150 1.690 46 HG LEU 5 HG LEU 5 -1.552 0.813 2.701 47 HD11 LEU 5 HD11 LEU 5 0.687 0.317 2.046 48 HD12 LEU 5 HD12 LEU 5 0.200 1.781 1.195 49 HD13 LEU 5 HD13 LEU 5 0.240 0.238 0.342 50 HD21 LEU 5 HD21 LEU 5 -2.259 2.307 0.992 51 HD22 LEU 5 HD22 LEU 5 -3.374 0.942 0.966 52 HD23 LEU 5 HD23 LEU 5 -2.109 1.068 -0.254 53 H VAL 6 H VAL 6 0.425 -0.833 4.424 54 HA VAL 6 HA VAL 6 -1.689 -0.321 6.374 55 HB VAL 6 HB VAL 6 1.310 -0.392 6.829 56 HG11 VAL 6 HG11 VAL 6 0.915 0.133 9.080 57 HG12 VAL 6 HG12 VAL 6 -0.816 -0.180 8.951 58 HG13 VAL 6 HG13 VAL 6 -0.119 1.248 8.187 59 HG21 VAL 6 HG21 VAL 6 -0.883 -2.363 7.368 60 HG22 VAL 6 HG22 VAL 6 0.536 -2.305 8.414 61 HG23 VAL 6 HG23 VAL 6 0.724 -2.626 6.690 62 H ILE 7 H ILE 7 -2.336 1.728 6.609 63 HA ILE 7 HA ILE 7 -0.551 3.864 5.261 64 HB ILE 7 HB ILE 7 -3.537 3.984 5.931 65 HG12 ILE 7 HG12 ILE 7 -2.133 3.926 3.232 66 HG13 ILE 7 HG13 ILE 7 -2.916 2.519 3.984 67 HG21 ILE 7 HG21 ILE 7 -3.200 6.095 4.422 68 HG22 ILE 7 HG22 ILE 7 -1.528 5.983 4.972 69 HG23 ILE 7 HG23 ILE 7 -2.832 6.167 6.144 70 HD11 ILE 7 HD11 ILE 7 -4.344 3.565 2.313 71 HD12 ILE 7 HD12 ILE 7 -4.284 5.090 3.197 72 HD13 ILE 7 HD13 ILE 7 -5.058 3.681 3.921 73 H ASN 8 H ASN 8 0.635 4.871 6.749 74 HA ASN 8 HA ASN 8 -0.544 5.355 9.493 75 HB2 ASN 8 HB2 ASN 8 1.547 3.939 9.334 76 HB3 ASN 8 HB3 ASN 8 2.396 5.346 8.657 77 HD21 ASN 8 HD21 ASN 8 0.802 3.997 11.485 78 HD22 ASN 8 HD22 ASN 8 1.530 5.142 12.665 79 H GLY 9 H GLY 9 -1.756 7.135 8.423 80 HA2 GLY 9 HA2 GLY 9 -0.280 9.409 7.274 81 HA3 GLY 9 HA3 GLY 9 -1.974 9.129 7.249 82 H LYS 10 H LYS 10 -1.157 11.638 7.920 83 HA LYS 10 HA LYS 10 -0.897 12.035 10.799 84 HB2 LYS 10 HB2 LYS 10 -1.707 13.834 8.500 85 HB3 LYS 10 HB3 LYS 10 -1.451 14.382 10.169 86 HG2 LYS 10 HG2 LYS 10 0.821 14.158 10.046 87 HG3 LYS 10 HG3 LYS 10 0.738 12.838 8.855 88 HD2 LYS 10 HD2 LYS 10 1.603 14.682 7.665 89 HD3 LYS 10 HD3 LYS 10 -0.117 14.600 7.208 90 HE2 LYS 10 HE2 LYS 10 -0.676 16.408 8.659 91 HE3 LYS 10 HE3 LYS 10 0.925 16.368 9.435 92 HZ1 LYS 10 HZ1 LYS 10 0.237 17.299 6.723 93 HZ2 LYS 10 HZ2 LYS 10 1.797 16.920 7.140 94 HZ3 LYS 10 HZ3 LYS 10 1.000 18.134 7.940 95 H THR 11 H THR 11 -3.445 12.020 8.538 96 HA THR 11 HA THR 11 -5.551 12.266 10.621 97 HB THR 11 HB THR 11 -5.474 13.460 7.912 98 HG1 THR 11 HG1 THR 11 -5.507 15.223 9.043 99 HG21 THR 11 HG21 THR 11 -7.893 12.764 9.560 100 HG22 THR 11 HG22 THR 11 -7.574 12.389 7.866 101 HG23 THR 11 HG23 THR 11 -7.880 14.055 8.358 102 H LEU 12 H LEU 12 -4.514 10.208 8.010 103 HA LEU 12 HA LEU 12 -6.880 8.555 8.637 104 HB2 LEU 12 HB2 LEU 12 -6.905 9.384 6.325 105 HB3 LEU 12 HB3 LEU 12 -5.285 8.719 6.071 106 HG LEU 12 HG LEU 12 -6.176 6.436 6.415 107 HD11 LEU 12 HD11 LEU 12 -8.047 7.040 7.895 108 HD12 LEU 12 HD12 LEU 12 -8.567 6.055 6.526 109 HD13 LEU 12 HD13 LEU 12 -8.875 7.791 6.530 110 HD21 LEU 12 HD21 LEU 12 -7.710 8.004 4.335 111 HD22 LEU 12 HD22 LEU 12 -7.360 6.276 4.309 112 HD23 LEU 12 HD23 LEU 12 -6.046 7.444 4.164 113 H LYS 13 H LYS 13 -6.505 6.674 9.641 114 HA LYS 13 HA LYS 13 -3.873 5.402 9.184 115 HB2 LYS 13 HB2 LYS 13 -5.415 5.481 11.772 116 HB3 LYS 13 HB3 LYS 13 -3.900 4.600 11.500 117 HG2 LYS 13 HG2 LYS 13 -2.958 6.934 10.834 118 HG3 LYS 13 HG3 LYS 13 -4.376 7.557 11.714 119 HD2 LYS 13 HD2 LYS 13 -3.693 6.434 13.733 120 HD3 LYS 13 HD3 LYS 13 -2.379 5.591 12.875 121 HE2 LYS 13 HE2 LYS 13 -2.553 8.606 13.064 122 HE3 LYS 13 HE3 LYS 13 -1.714 7.610 14.276 123 HZ1 LYS 13 HZ1 LYS 13 -0.247 6.817 12.581 124 HZ2 LYS 13 HZ2 LYS 13 -0.242 8.474 12.534 125 HZ3 LYS 13 HZ3 LYS 13 -1.078 7.618 11.386 126 H GLY 14 H GLY 14 -4.019 3.134 8.536 127 HA2 GLY 14 HA2 GLY 14 -5.861 1.373 9.547 128 HA3 GLY 14 HA3 GLY 14 -6.718 1.951 8.139 129 H GLU 15 H GLU 15 -6.667 -0.183 7.502 130 HA GLU 15 HA GLU 15 -4.187 -0.875 6.044 131 HB2 GLU 15 HB2 GLU 15 -5.705 -2.557 8.024 132 HB3 GLU 15 HB3 GLU 15 -4.672 -3.292 6.781 133 HG2 GLU 15 HG2 GLU 15 -2.794 -1.837 7.675 134 HG3 GLU 15 HG3 GLU 15 -3.865 -1.467 9.046 135 H THR 16 H THR 16 -4.486 -2.154 4.107 136 HA THR 16 HA THR 16 -7.202 -3.121 3.619 137 HB THR 16 HB THR 16 -7.279 -0.836 2.610 138 HG1 THR 16 HG1 THR 16 -8.571 -2.132 1.501 139 HG21 THR 16 HG21 THR 16 -4.801 -0.844 1.983 140 HG22 THR 16 HG22 THR 16 -5.944 -0.173 0.820 141 HG23 THR 16 HG23 THR 16 -5.288 -1.792 0.579 142 H THR 17 H THR 17 -7.150 -4.376 1.434 143 HA THR 17 HA THR 17 -4.519 -5.628 1.113 144 HB THR 17 HB THR 17 -5.464 -7.856 1.231 145 HG1 THR 17 HG1 THR 17 -7.878 -6.503 1.891 146 HG21 THR 17 HG21 THR 17 -5.540 -8.086 3.492 147 HG22 THR 17 HG22 THR 17 -6.544 -6.654 3.724 148 HG23 THR 17 HG23 THR 17 -4.823 -6.478 3.388 149 H THR 18 H THR 18 -4.323 -6.844 -0.842 150 HA THR 18 HA THR 18 -6.553 -6.629 -2.738 151 HB THR 18 HB THR 18 -5.092 -4.536 -3.123 152 HG1 THR 18 HG1 THR 18 -6.412 -5.116 -4.771 153 HG21 THR 18 HG21 THR 18 -3.250 -6.150 -4.756 154 HG22 THR 18 HG22 THR 18 -2.961 -6.183 -3.016 155 HG23 THR 18 HG23 THR 18 -2.982 -4.645 -3.879 156 H LYS 19 H LYS 19 -6.177 -8.032 -4.633 157 HA LYS 19 HA LYS 19 -4.243 -10.199 -3.998 158 HB2 LYS 19 HB2 LYS 19 -6.724 -10.224 -5.755 159 HB3 LYS 19 HB3 LYS 19 -5.650 -11.604 -5.460 160 HG2 LYS 19 HG2 LYS 19 -6.685 -10.377 -3.003 161 HG3 LYS 19 HG3 LYS 19 -7.956 -11.014 -4.075 162 HD2 LYS 19 HD2 LYS 19 -5.515 -12.595 -3.216 163 HD3 LYS 19 HD3 LYS 19 -7.080 -12.645 -2.367 164 HE2 LYS 19 HE2 LYS 19 -6.980 -13.147 -5.326 165 HE3 LYS 19 HE3 LYS 19 -6.490 -14.435 -4.201 166 HZ1 LYS 19 HZ1 LYS 19 -8.742 -13.809 -3.088 167 HZ2 LYS 19 HZ2 LYS 19 -8.712 -14.826 -4.398 168 HZ3 LYS 19 HZ3 LYS 19 -9.124 -13.232 -4.597 169 H ALA 20 H ALA 20 -2.533 -10.480 -5.444 170 HA ALA 20 HA ALA 20 -2.805 -9.487 -8.110 171 HB1 ALA 20 HB1 ALA 20 -0.589 -8.213 -7.925 172 HB2 ALA 20 HB2 ALA 20 -0.820 -8.285 -6.178 173 HB3 ALA 20 HB3 ALA 20 -1.993 -7.440 -7.190 174 H VAL 21 H VAL 21 -1.191 -10.238 -9.607 175 HA VAL 21 HA VAL 21 -0.023 -12.646 -8.835 176 HB VAL 21 HB VAL 21 0.970 -12.793 -11.039 177 HG11 VAL 21 HG11 VAL 21 -1.471 -13.262 -10.589 178 HG12 VAL 21 HG12 VAL 21 -1.066 -12.865 -12.259 179 HG13 VAL 21 HG13 VAL 21 -1.817 -11.652 -11.223 180 HG21 VAL 21 HG21 VAL 21 -0.152 -10.032 -11.528 181 HG22 VAL 21 HG22 VAL 21 0.871 -10.998 -12.593 182 HG23 VAL 21 HG23 VAL 21 1.535 -10.324 -11.104 183 H ASP 22 H ASP 22 1.399 -9.438 -8.755 184 HA ASP 22 HA ASP 22 3.754 -10.623 -7.563 185 HB2 ASP 22 HB2 ASP 22 5.356 -9.605 -9.159 186 HB3 ASP 22 HB3 ASP 22 4.325 -10.820 -9.945 187 H ALA 23 H ALA 23 5.351 -8.898 -6.822 188 HA ALA 23 HA ALA 23 3.801 -7.127 -5.231 189 HB1 ALA 23 HB1 ALA 23 5.810 -7.839 -4.286 190 HB2 ALA 23 HB2 ALA 23 6.085 -6.139 -4.666 191 HB3 ALA 23 HB3 ALA 23 6.746 -7.393 -5.714 192 H GLU 24 H GLU 24 5.646 -6.594 -8.252 193 HA GLU 24 HA GLU 24 5.528 -3.685 -8.041 194 HB2 GLU 24 HB2 GLU 24 5.725 -5.695 -10.347 195 HB3 GLU 24 HB3 GLU 24 5.696 -3.947 -10.650 196 HG2 GLU 24 HG2 GLU 24 7.650 -3.789 -9.016 197 HG3 GLU 24 HG3 GLU 24 7.755 -5.561 -9.150 198 H THR 25 H THR 25 3.214 -6.011 -9.536 199 HA THR 25 HA THR 25 1.529 -3.848 -10.628 200 HB THR 25 HB THR 25 0.796 -6.737 -9.909 201 HG1 THR 25 HG1 THR 25 1.902 -7.107 -11.646 202 HG21 THR 25 HG21 THR 25 -0.731 -4.607 -11.366 203 HG22 THR 25 HG22 THR 25 -1.273 -5.683 -10.078 204 HG23 THR 25 HG23 THR 25 -0.984 -6.320 -11.698 205 H ALA 26 H ALA 26 1.606 -5.640 -7.447 206 HA ALA 26 HA ALA 26 -0.792 -4.366 -6.369 207 HB1 ALA 26 HB1 ALA 26 0.505 -6.298 -5.330 208 HB2 ALA 26 HB2 ALA 26 -0.020 -5.037 -4.216 209 HB3 ALA 26 HB3 ALA 26 1.659 -5.095 -4.753 210 H GLU 27 H GLU 27 2.605 -3.229 -6.776 211 HA GLU 27 HA GLU 27 2.253 -0.945 -5.203 212 HB2 GLU 27 HB2 GLU 27 4.444 -1.773 -5.971 213 HB3 GLU 27 HB3 GLU 27 4.065 -1.207 -7.609 214 HG2 GLU 27 HG2 GLU 27 3.761 1.104 -6.573 215 HG3 GLU 27 HG3 GLU 27 4.527 0.429 -5.118 216 H LYS 28 H LYS 28 1.728 -1.284 -8.715 217 HA LYS 28 HA LYS 28 1.012 1.475 -9.141 218 HB2 LYS 28 HB2 LYS 28 -0.041 -0.940 -10.628 219 HB3 LYS 28 HB3 LYS 28 -0.027 0.741 -11.194 220 HG2 LYS 28 HG2 LYS 28 2.386 0.743 -11.284 221 HG3 LYS 28 HG3 LYS 28 2.449 -0.888 -10.570 222 HD2 LYS 28 HD2 LYS 28 1.657 -1.905 -12.503 223 HD3 LYS 28 HD3 LYS 28 0.898 -0.409 -13.103 224 HE2 LYS 28 HE2 LYS 28 3.009 0.523 -13.702 225 HE3 LYS 28 HE3 LYS 28 3.893 -0.748 -12.826 226 HZ1 LYS 28 HZ1 LYS 28 3.025 -2.348 -14.430 227 HZ2 LYS 28 HZ2 LYS 28 3.916 -1.167 -15.182 228 HZ3 LYS 28 HZ3 LYS 28 2.260 -1.132 -15.265 229 H ALA 29 H ALA 29 -1.021 -1.354 -8.136 230 HA ALA 29 HA ALA 29 -3.498 0.222 -8.307 231 HB1 ALA 29 HB1 ALA 29 -4.516 -1.588 -7.054 232 HB2 ALA 29 HB2 ALA 29 -2.944 -2.197 -6.536 233 HB3 ALA 29 HB3 ALA 29 -3.412 -2.297 -8.234 234 H PHE 30 H PHE 30 -1.237 -0.556 -5.532 235 HA PHE 30 HA PHE 30 -2.862 0.855 -3.615 236 HB2 PHE 30 HB2 PHE 30 0.061 0.017 -3.682 237 HB3 PHE 30 HB3 PHE 30 -0.682 0.818 -2.282 238 HD1 PHE 30 HD1 PHE 30 -3.263 -0.436 -2.031 239 HD2 PHE 30 HD2 PHE 30 0.465 -2.173 -3.127 240 HE1 PHE 30 HE1 PHE 30 -4.039 -2.618 -1.197 241 HE2 PHE 30 HE2 PHE 30 -0.304 -4.356 -2.297 242 HZ PHE 30 HZ PHE 30 -2.559 -4.580 -1.327 243 H LYS 31 H LYS 31 -0.189 1.987 -5.774 244 HA LYS 31 HA LYS 31 -0.121 4.615 -4.462 245 HB2 LYS 31 HB2 LYS 31 0.593 3.713 -7.270 246 HB3 LYS 31 HB3 LYS 31 0.738 5.399 -6.735 247 HG2 LYS 31 HG2 LYS 31 2.106 4.263 -4.755 248 HG3 LYS 31 HG3 LYS 31 2.352 3.004 -5.991 249 HD2 LYS 31 HD2 LYS 31 3.123 4.813 -7.556 250 HD3 LYS 31 HD3 LYS 31 3.053 5.947 -6.184 251 HE2 LYS 31 HE2 LYS 31 4.852 4.985 -5.120 252 HE3 LYS 31 HE3 LYS 31 4.575 3.391 -5.860 253 HZ1 LYS 31 HZ1 LYS 31 5.563 5.751 -7.346 254 HZ2 LYS 31 HZ2 LYS 31 5.464 4.191 -7.901 255 HZ3 LYS 31 HZ3 LYS 31 6.550 4.577 -6.708 256 H GLN 32 H GLN 32 -2.270 3.259 -6.939 257 HA GLN 32 HA GLN 32 -3.568 5.802 -7.441 258 HB2 GLN 32 HB2 GLN 32 -3.785 4.000 -9.057 259 HB3 GLN 32 HB3 GLN 32 -4.505 2.933 -7.835 260 HG2 GLN 32 HG2 GLN 32 -6.239 3.739 -9.276 261 HG3 GLN 32 HG3 GLN 32 -6.431 4.495 -7.677 262 HE21 GLN 32 HE21 GLN 32 -7.655 6.178 -8.540 263 HE22 GLN 32 HE22 GLN 32 -6.885 7.493 -9.493 264 H TYR 33 H TYR 33 -4.356 3.117 -5.231 265 HA TYR 33 HA TYR 33 -6.773 4.279 -4.187 266 HB2 TYR 33 HB2 TYR 33 -6.023 1.919 -3.774 267 HB3 TYR 33 HB3 TYR 33 -4.652 2.537 -2.828 268 HD1 TYR 33 HD2 TYR 33 -5.163 3.826 -0.694 269 HD2 TYR 33 HD1 TYR 33 -8.106 1.554 -2.761 270 HE1 TYR 33 HE2 TYR 33 -6.547 3.778 1.339 271 HE2 TYR 33 HE1 TYR 33 -9.498 1.500 -0.734 272 HH TYR 33 HH TYR 33 -8.660 1.836 2.085 273 H ALA 34 H ALA 34 -3.406 4.637 -3.017 274 HA ALA 34 HA ALA 34 -3.970 6.403 -0.879 275 HB1 ALA 34 HB1 ALA 34 -1.740 5.236 -1.562 276 HB2 ALA 34 HB2 ALA 34 -1.695 6.806 -0.760 277 HB3 ALA 34 HB3 ALA 34 -1.485 6.702 -2.508 278 H ASN 35 H ASN 35 -3.265 7.144 -4.297 279 HA ASN 35 HA ASN 35 -3.401 10.030 -3.844 280 HB2 ASN 35 HB2 ASN 35 -3.853 8.278 -6.316 281 HB3 ASN 35 HB3 ASN 35 -3.910 10.053 -6.375 282 HD21 ASN 35 HD21 ASN 35 -2.159 8.877 -7.977 283 HD22 ASN 35 HD22 ASN 35 -0.485 9.063 -7.349 284 H ASP 36 H ASP 36 -6.000 7.657 -4.776 285 HA ASP 36 HA ASP 36 -8.005 9.696 -5.125 286 HB2 ASP 36 HB2 ASP 36 -8.267 6.766 -4.431 287 HB3 ASP 36 HB3 ASP 36 -9.660 7.836 -4.701 288 H ASN 37 H ASN 37 -6.635 8.362 -2.204 289 HA ASN 37 HA ASN 37 -8.823 9.711 -0.652 290 HB2 ASN 37 HB2 ASN 37 -6.853 7.528 0.041 291 HB3 ASN 37 HB3 ASN 37 -7.757 8.412 1.290 292 HD21 ASN 37 HD21 ASN 37 -7.932 6.183 -1.401 293 HD22 ASN 37 HD22 ASN 37 -9.602 5.608 -1.061 294 H GLY 38 H GLY 38 -5.943 10.734 -1.796 295 HA2 GLY 38 HA2 GLY 38 -4.949 12.745 -1.207 296 HA3 GLY 38 HA3 GLY 38 -5.929 12.807 0.242 297 H VAL 39 H VAL 39 -3.843 10.067 -0.241 298 HA VAL 39 HA VAL 39 -2.151 11.057 2.045 299 HB VAL 39 HB VAL 39 -2.630 8.236 1.096 300 HG11 VAL 39 HG11 VAL 39 -1.343 8.888 3.695 301 HG12 VAL 39 HG12 VAL 39 -0.369 9.081 2.239 302 HG13 VAL 39 HG13 VAL 39 -1.091 7.516 2.615 303 HG21 VAL 39 HG21 VAL 39 -3.982 7.944 3.010 304 HG22 VAL 39 HG22 VAL 39 -4.524 9.462 2.293 305 HG23 VAL 39 HG23 VAL 39 -3.474 9.481 3.708 306 H ASP 40 H ASP 40 -0.164 11.454 1.839 307 HA ASP 40 HA ASP 40 1.275 10.370 -0.526 308 HB2 ASP 40 HB2 ASP 40 0.263 12.991 -0.259 309 HB3 ASP 40 HB3 ASP 40 2.016 13.116 -0.001 310 H GLY 41 H GLY 41 3.057 9.723 -0.289 311 HA2 GLY 41 HA2 GLY 41 4.987 10.772 1.716 312 HA3 GLY 41 HA3 GLY 41 4.131 9.336 2.225 313 H VAL 42 H VAL 42 6.056 8.530 2.724 314 HA VAL 42 HA VAL 42 7.766 7.796 0.462 315 HB VAL 42 HB VAL 42 8.225 7.697 3.441 316 HG11 VAL 42 HG11 VAL 42 9.240 5.749 2.241 317 HG12 VAL 42 HG12 VAL 42 10.400 6.802 3.051 318 HG13 VAL 42 HG13 VAL 42 10.197 6.896 1.303 319 HG21 VAL 42 HG21 VAL 42 10.224 9.176 2.568 320 HG22 VAL 42 HG22 VAL 42 8.633 9.872 2.872 321 HG23 VAL 42 HG23 VAL 42 9.123 9.477 1.227 322 H TRP 43 H TRP 43 8.042 5.696 -0.237 323 HA TRP 43 HA TRP 43 6.150 3.655 1.044 324 HB2 TRP 43 HB2 TRP 43 7.435 3.985 -1.703 325 HB3 TRP 43 HB3 TRP 43 6.578 2.507 -1.209 326 HD1 TRP 43 HD1 TRP 43 5.929 6.243 -1.915 327 HE1 TRP 43 HE1 TRP 43 3.412 6.582 -2.445 328 HE3 TRP 43 HE3 TRP 43 4.311 1.505 -0.887 329 HZ2 TRP 43 HZ2 TRP 43 1.075 4.983 -2.406 330 HZ3 TRP 43 HZ3 TRP 43 1.922 0.989 -1.158 331 HH2 TRP 43 HH2 TRP 43 0.338 2.693 -1.901 332 H THR 44 H THR 44 6.801 1.769 1.857 333 HA THR 44 HA THR 44 9.551 0.866 1.185 334 HB THR 44 HB THR 44 9.666 -0.141 3.544 335 HG1 THR 44 HG1 THR 44 7.537 1.701 3.895 336 HG21 THR 44 HG21 THR 44 10.944 1.889 2.838 337 HG22 THR 44 HG22 THR 44 10.578 1.793 4.561 338 HG23 THR 44 HG23 THR 44 9.644 2.869 3.519 339 H TYR 45 H TYR 45 9.764 -1.455 1.257 340 HA TYR 45 HA TYR 45 7.308 -2.987 1.392 341 HB2 TYR 45 HB2 TYR 45 7.672 -2.550 -0.961 342 HB3 TYR 45 HB3 TYR 45 9.346 -3.127 -0.815 343 HD1 TYR 45 HD1 TYR 45 6.139 -4.593 0.444 344 HD2 TYR 45 HD2 TYR 45 9.502 -5.032 -2.126 345 HE1 TYR 45 HE1 TYR 45 5.401 -6.868 -0.128 346 HE2 TYR 45 HE2 TYR 45 8.772 -7.309 -2.705 347 HH TYR 45 HH TYR 45 7.357 -9.112 -1.639 348 H ASP 46 H ASP 46 7.375 -4.866 2.454 349 HA ASP 46 HA ASP 46 10.059 -5.946 3.064 350 HB2 ASP 46 HB2 ASP 46 8.866 -5.220 5.112 351 HB3 ASP 46 HB3 ASP 46 7.471 -6.219 4.651 352 H ASP 47 H ASP 47 10.445 -7.548 1.671 353 HA ASP 47 HA ASP 47 8.335 -8.921 0.258 354 HB2 ASP 47 HB2 ASP 47 10.704 -8.632 -0.545 355 HB3 ASP 47 HB3 ASP 47 11.205 -9.850 0.650 356 H ALA 48 H ALA 48 9.933 -9.702 3.381 357 HA ALA 48 HA ALA 48 9.159 -12.540 3.273 358 HB1 ALA 48 HB1 ALA 48 9.708 -10.638 5.607 359 HB2 ALA 48 HB2 ALA 48 10.874 -11.704 4.822 360 HB3 ALA 48 HB3 ALA 48 9.545 -12.386 5.760 361 H THR 49 H THR 49 7.451 -9.629 4.375 362 HA THR 49 HA THR 49 5.113 -11.461 5.157 363 HB THR 49 HB THR 49 4.168 -9.513 6.394 364 HG1 THR 49 HG1 THR 49 6.498 -8.118 5.544 365 HG21 THR 49 HG21 THR 49 5.377 -9.972 8.185 366 HG22 THR 49 HG22 THR 49 6.771 -9.117 7.526 367 HG23 THR 49 HG23 THR 49 6.527 -10.823 7.152 368 H LYS 50 H LYS 50 6.116 -9.766 2.475 369 HA LYS 50 HA LYS 50 5.010 -8.784 0.675 370 HB2 LYS 50 HB2 LYS 50 2.678 -10.525 1.636 371 HB3 LYS 50 HB3 LYS 50 2.795 -9.750 0.045 372 HG2 LYS 50 HG2 LYS 50 4.884 -11.693 1.021 373 HG3 LYS 50 HG3 LYS 50 3.390 -12.235 0.217 374 HD2 LYS 50 HD2 LYS 50 4.001 -10.614 -1.660 375 HD3 LYS 50 HD3 LYS 50 5.604 -10.496 -0.892 376 HE2 LYS 50 HE2 LYS 50 6.189 -12.626 -1.471 377 HE3 LYS 50 HE3 LYS 50 4.517 -13.229 -1.382 378 HZ1 LYS 50 HZ1 LYS 50 4.056 -12.218 -3.480 379 HZ2 LYS 50 HZ2 LYS 50 5.425 -13.138 -3.654 380 HZ3 LYS 50 HZ3 LYS 50 5.546 -11.488 -3.543 381 H THR 51 H THR 51 5.050 -7.196 2.884 382 HA THR 51 HA THR 51 2.480 -5.805 2.746 383 HB THR 51 HB THR 51 4.489 -5.928 4.985 384 HG1 THR 51 HG1 THR 51 1.824 -6.886 4.749 385 HG21 THR 51 HG21 THR 51 3.348 -3.704 4.780 386 HG22 THR 51 HG22 THR 51 3.060 -4.563 6.293 387 HG23 THR 51 HG23 THR 51 1.818 -4.540 5.041 388 H PHE 52 H PHE 52 2.328 -3.797 2.095 389 HA PHE 52 HA PHE 52 4.995 -2.288 1.539 390 HB2 PHE 52 HB2 PHE 52 2.107 -2.042 0.449 391 HB3 PHE 52 HB3 PHE 52 3.373 -0.821 0.192 392 HD1 PHE 52 HD2 PHE 52 5.332 -1.347 -1.184 393 HD2 PHE 52 HD1 PHE 52 2.122 -4.109 -0.744 394 HE1 PHE 52 HE2 PHE 52 6.141 -2.595 -3.145 395 HE2 PHE 52 HE1 PHE 52 2.925 -5.361 -2.704 396 HZ PHE 52 HZ PHE 52 4.937 -4.603 -3.908 397 H THR 53 H THR 53 5.108 -0.339 2.795 398 HA THR 53 HA THR 53 2.824 0.447 4.505 399 HB THR 53 HB THR 53 5.782 0.607 5.228 400 HG1 THR 53 HG1 THR 53 5.335 -1.374 5.810 401 HG21 THR 53 HG21 THR 53 5.303 1.873 7.001 402 HG22 THR 53 HG22 THR 53 3.794 1.021 7.332 403 HG23 THR 53 HG23 THR 53 3.837 2.299 6.118 404 H VAL 54 H VAL 54 2.306 2.600 4.429 405 HA VAL 54 HA VAL 54 4.333 4.345 2.938 406 HB VAL 54 HB VAL 54 2.368 4.028 1.471 407 HG11 VAL 54 HG11 VAL 54 0.142 4.604 2.080 408 HG12 VAL 54 HG12 VAL 54 0.662 5.271 3.628 409 HG13 VAL 54 HG13 VAL 54 0.754 3.534 3.342 410 HG21 VAL 54 HG21 VAL 54 1.639 6.490 1.408 411 HG22 VAL 54 HG22 VAL 54 3.357 6.138 1.233 412 HG23 VAL 54 HG23 VAL 54 2.728 6.716 2.776 413 H THR 55 H THR 55 5.065 5.834 4.333 414 HA THR 55 HA THR 55 3.455 6.495 6.770 415 HB THR 55 HB THR 55 6.468 6.489 6.409 416 HG1 THR 55 HG1 THR 55 4.824 4.762 7.955 417 HG21 THR 55 HG21 THR 55 4.967 6.783 8.990 418 HG22 THR 55 HG22 THR 55 5.621 8.145 8.081 419 HG23 THR 55 HG23 THR 55 6.703 6.904 8.710 420 H GLU 56 H GLU 56 2.802 8.546 6.891 421 HA GLU 56 HA GLU 56 3.886 10.613 4.982 422 HB2 GLU 56 HB2 GLU 56 1.455 10.419 6.793 423 HB3 GLU 56 HB3 GLU 56 1.928 11.916 5.969 424 HG2 GLU 56 HG2 GLU 56 1.770 10.715 3.801 425 HG3 GLU 56 HG3 GLU 56 1.167 9.291 4.682
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