NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620054 | 5ucf | 30223 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -10.259 -0.383 -19.859 2 HA MET 1 HA MET 1 -12.383 -0.855 -17.872 3 HB2 MET 1 2HB MET 1 -12.443 -0.538 -20.839 4 HB3 MET 1 3HB MET 1 -13.624 -1.602 -20.087 5 HG2 MET 1 2HG MET 1 -13.211 1.232 -19.194 6 HG3 MET 1 3HG MET 1 -14.325 0.794 -20.486 7 HE1 MET 1 1HE MET 1 -15.804 2.243 -17.693 8 HE2 MET 1 2HE MET 1 -16.018 1.990 -19.426 9 HE3 MET 1 3HE MET 1 -17.157 1.277 -18.283 10 H THR 2 H THR 2 -13.237 -2.970 -17.685 11 HA THR 2 HA THR 2 -11.323 -5.055 -18.477 12 HB THR 2 HB THR 2 -13.456 -5.180 -16.336 13 HG1 THR 2 HG1 THR 2 -10.673 -4.609 -16.242 14 HG21 THR 2 1HG2 THR 2 -13.056 -7.370 -16.299 15 HG22 THR 2 2HG2 THR 2 -11.364 -7.041 -15.929 16 HG23 THR 2 3HG2 THR 2 -11.885 -7.199 -17.606 17 H PHE 3 H PHE 3 -11.873 -6.278 -20.146 18 HA PHE 3 HA PHE 3 -14.696 -7.020 -20.490 19 HB2 PHE 3 2HB PHE 3 -12.825 -5.879 -22.548 20 HB3 PHE 3 3HB PHE 3 -14.165 -6.917 -23.026 21 HD1 PHE 3 HD1 PHE 3 -13.278 -3.684 -23.002 22 HD2 PHE 3 HD2 PHE 3 -16.388 -6.154 -21.470 23 HE1 PHE 3 HE1 PHE 3 -14.790 -1.744 -22.952 24 HE2 PHE 3 HE2 PHE 3 -17.905 -4.218 -21.419 25 HZ PHE 3 HZ PHE 3 -17.107 -2.009 -22.161 26 H LYS 4 H LYS 4 -14.923 -8.900 -22.038 27 HA LYS 4 HA LYS 4 -12.603 -10.699 -21.929 28 HB2 LYS 4 2HB LYS 4 -14.220 -11.156 -20.047 29 HB3 LYS 4 3HB LYS 4 -15.416 -11.577 -21.266 30 HG2 LYS 4 2HG LYS 4 -14.193 -13.460 -21.966 31 HG3 LYS 4 3HG LYS 4 -12.744 -12.936 -21.106 32 HD2 LYS 4 2HD LYS 4 -15.286 -13.501 -19.622 33 HD3 LYS 4 3HD LYS 4 -14.199 -14.815 -20.083 34 HE2 LYS 4 2HE LYS 4 -12.396 -13.834 -18.839 35 HE3 LYS 4 3HE LYS 4 -13.346 -12.384 -18.517 36 HZ1 LYS 4 1HZ LYS 4 -13.704 -13.481 -16.588 37 HZ2 LYS 4 2HZ LYS 4 -13.488 -15.015 -17.267 38 HZ3 LYS 4 3HZ LYS 4 -14.952 -14.194 -17.480 39 H ALA 5 H ALA 5 -12.746 -12.512 -23.434 40 HA ALA 5 HA ALA 5 -14.634 -12.104 -25.645 41 HB1 ALA 5 1HB ALA 5 -13.074 -11.512 -27.109 42 HB2 ALA 5 2HB ALA 5 -11.939 -11.375 -25.766 43 HB3 ALA 5 3HB ALA 5 -12.062 -12.886 -26.667 44 H ILE 6 H ILE 6 -15.617 -13.938 -26.163 45 HA ILE 6 HA ILE 6 -14.272 -16.481 -25.518 46 HB ILE 6 HB ILE 6 -16.297 -16.023 -24.148 47 HG12 ILE 6 2HG1 ILE 6 -17.432 -18.227 -24.694 48 HG13 ILE 6 3HG1 ILE 6 -16.345 -18.349 -26.073 49 HG21 ILE 6 1HG2 ILE 6 -17.777 -16.271 -26.763 50 HG22 ILE 6 2HG2 ILE 6 -18.491 -16.073 -25.163 51 HG23 ILE 6 3HG2 ILE 6 -17.537 -14.769 -25.871 52 HD11 ILE 6 1HD1 ILE 6 -15.885 -19.216 -23.470 53 HD12 ILE 6 2HD1 ILE 6 -14.724 -19.140 -24.795 54 HD13 ILE 6 3HD1 ILE 6 -14.871 -17.788 -23.673 55 H ILE 7 H ILE 7 -14.193 -18.064 -27.045 56 HA ILE 7 HA ILE 7 -15.158 -17.329 -29.724 57 HB ILE 7 HB ILE 7 -13.048 -19.372 -29.028 58 HG12 ILE 7 2HG1 ILE 7 -12.307 -17.131 -28.375 59 HG13 ILE 7 3HG1 ILE 7 -11.417 -17.690 -29.787 60 HG21 ILE 7 1HG2 ILE 7 -12.676 -18.454 -31.619 61 HG22 ILE 7 2HG2 ILE 7 -13.359 -20.007 -31.138 62 HG23 ILE 7 3HG2 ILE 7 -14.423 -18.639 -31.466 63 HD11 ILE 7 1HD1 ILE 7 -13.084 -15.361 -29.456 64 HD12 ILE 7 2HD1 ILE 7 -11.926 -15.753 -30.729 65 HD13 ILE 7 3HD1 ILE 7 -13.588 -16.331 -30.839 66 H ASN 8 H ASN 8 -16.547 -18.605 -30.815 67 HA ASN 8 HA ASN 8 -17.396 -21.101 -29.499 68 HB2 ASN 8 2HB ASN 8 -19.061 -19.176 -29.583 69 HB3 ASN 8 3HB ASN 8 -19.110 -19.419 -31.327 70 HD21 ASN 8 1HD2 ASN 8 -19.640 -21.008 -28.232 71 HD22 ASN 8 2HD2 ASN 8 -20.824 -22.129 -28.804 72 H GLY 9 H GLY 9 -15.644 -22.112 -30.753 73 HA2 GLY 9 2HA GLY 9 -16.345 -22.460 -33.598 74 HA3 GLY 9 3HA GLY 9 -14.737 -22.690 -32.928 75 H LYS 10 H LYS 10 -15.989 -24.594 -34.535 76 HA LYS 10 HA LYS 10 -16.982 -26.665 -32.740 77 HB2 LYS 10 2HB LYS 10 -18.065 -26.240 -34.952 78 HB3 LYS 10 3HB LYS 10 -16.584 -26.775 -35.734 79 HG2 LYS 10 2HG LYS 10 -16.840 -28.984 -34.777 80 HG3 LYS 10 3HG LYS 10 -18.279 -28.459 -33.900 81 HD2 LYS 10 2HD LYS 10 -18.208 -28.104 -36.856 82 HD3 LYS 10 3HD LYS 10 -18.459 -29.727 -36.209 83 HE2 LYS 10 2HE LYS 10 -20.623 -28.929 -36.430 84 HE3 LYS 10 3HE LYS 10 -20.263 -28.598 -34.736 85 HZ1 LYS 10 1HZ LYS 10 -21.099 -26.791 -36.643 86 HZ2 LYS 10 2HZ LYS 10 -19.471 -26.422 -36.370 87 HZ3 LYS 10 3HZ LYS 10 -20.561 -26.443 -35.077 88 H THR 11 H THR 11 -14.127 -25.808 -34.530 89 HA THR 11 HA THR 11 -12.877 -28.370 -33.805 90 HB THR 11 HB THR 11 -11.675 -26.365 -35.699 91 HG1 THR 11 HG1 THR 11 -13.659 -28.331 -36.210 92 HG21 THR 11 1HG2 THR 11 -11.276 -29.258 -35.049 93 HG22 THR 11 2HG2 THR 11 -10.080 -27.972 -35.216 94 HG23 THR 11 3HG2 THR 11 -10.851 -28.652 -36.649 95 H LEU 12 H LEU 12 -12.378 -24.862 -33.747 96 HA LEU 12 HA LEU 12 -10.332 -25.270 -31.666 97 HB2 LEU 12 2HB LEU 12 -9.546 -22.951 -32.404 98 HB3 LEU 12 3HB LEU 12 -9.168 -24.327 -33.439 99 HG LEU 12 HG LEU 12 -11.613 -22.734 -34.036 100 HD11 LEU 12 1HD1 LEU 12 -8.856 -21.863 -34.881 101 HD12 LEU 12 2HD1 LEU 12 -9.792 -21.089 -33.603 102 HD13 LEU 12 3HD1 LEU 12 -10.393 -21.085 -35.261 103 HD21 LEU 12 1HD2 LEU 12 -10.051 -24.777 -35.266 104 HD22 LEU 12 2HD2 LEU 12 -10.020 -23.342 -36.290 105 HD23 LEU 12 3HD2 LEU 12 -11.563 -24.055 -35.817 106 H LYS 13 H LYS 13 -11.158 -24.811 -29.740 107 HA LYS 13 HA LYS 13 -12.829 -22.402 -29.475 108 HB2 LYS 13 2HB LYS 13 -14.235 -24.406 -29.292 109 HB3 LYS 13 3HB LYS 13 -13.197 -25.024 -28.013 110 HG2 LYS 13 2HG LYS 13 -14.427 -22.345 -27.648 111 HG3 LYS 13 3HG LYS 13 -15.454 -23.772 -27.487 112 HD2 LYS 13 2HD LYS 13 -13.581 -24.649 -25.931 113 HD3 LYS 13 3HD LYS 13 -13.071 -22.960 -25.859 114 HE2 LYS 13 2HE LYS 13 -15.867 -23.898 -25.239 115 HE3 LYS 13 3HE LYS 13 -14.613 -23.688 -24.018 116 HZ1 LYS 13 1HZ LYS 13 -15.524 -21.645 -23.904 117 HZ2 LYS 13 2HZ LYS 13 -16.130 -21.684 -25.482 118 HZ3 LYS 13 3HZ LYS 13 -14.498 -21.329 -25.212 119 H GLY 14 H GLY 14 -12.258 -21.015 -27.896 120 HA2 GLY 14 2HA GLY 14 -10.543 -21.936 -25.715 121 HA3 GLY 14 3HA GLY 14 -9.883 -20.706 -26.783 122 H GLU 15 H GLU 15 -9.740 -19.411 -24.821 123 HA GLU 15 HA GLU 15 -11.935 -17.615 -24.604 124 HB2 GLU 15 2HB GLU 15 -12.392 -17.965 -22.193 125 HB3 GLU 15 3HB GLU 15 -12.881 -19.329 -23.188 126 HG2 GLU 15 2HG GLU 15 -10.570 -20.304 -22.577 127 HG3 GLU 15 3HG GLU 15 -10.595 -19.113 -21.277 128 H THR 16 H THR 16 -10.947 -15.724 -24.465 129 HA THR 16 HA THR 16 -8.635 -15.458 -22.666 130 HB THR 16 HB THR 16 -7.865 -15.593 -25.034 131 HG1 THR 16 HG1 THR 16 -6.344 -14.245 -24.444 132 HG21 THR 16 1HG2 THR 16 -8.388 -13.911 -26.617 133 HG22 THR 16 2HG2 THR 16 -9.187 -12.912 -25.403 134 HG23 THR 16 3HG2 THR 16 -9.931 -14.420 -25.934 135 H THR 17 H THR 17 -8.126 -13.081 -22.266 136 HA THR 17 HA THR 17 -10.665 -11.630 -21.904 137 HB THR 17 HB THR 17 -9.433 -10.410 -20.062 138 HG1 THR 17 HG1 THR 17 -7.346 -10.812 -20.091 139 HG21 THR 17 1HG2 THR 17 -9.321 -13.107 -19.037 140 HG22 THR 17 2HG2 THR 17 -10.743 -12.879 -20.055 141 HG23 THR 17 3HG2 THR 17 -10.467 -11.818 -18.674 142 H THR 18 H THR 18 -10.393 -9.212 -21.776 143 HA THR 18 HA THR 18 -8.224 -8.180 -23.443 144 HB THR 18 HB THR 18 -10.993 -7.253 -24.088 145 HG1 THR 18 HG1 THR 18 -9.763 -9.651 -24.995 146 HG21 THR 18 1HG2 THR 18 -8.641 -7.647 -25.920 147 HG22 THR 18 2HG2 THR 18 -8.823 -6.198 -24.932 148 HG23 THR 18 3HG2 THR 18 -10.043 -6.601 -26.140 149 H GLU 19 H GLU 19 -7.376 -6.495 -22.427 150 HA GLU 19 HA GLU 19 -9.147 -4.808 -20.783 151 HB2 GLU 19 2HB GLU 19 -6.382 -5.834 -20.300 152 HB3 GLU 19 3HB GLU 19 -6.831 -4.269 -19.636 153 HG2 GLU 19 2HG GLU 19 -7.367 -5.621 -17.887 154 HG3 GLU 19 3HG GLU 19 -8.908 -5.596 -18.743 155 H ALA 20 H ALA 20 -9.560 -3.059 -21.991 156 HA ALA 20 HA ALA 20 -7.291 -1.439 -22.860 157 HB1 ALA 20 1HB ALA 20 -9.015 -2.881 -24.661 158 HB2 ALA 20 2HB ALA 20 -9.136 -1.142 -24.933 159 HB3 ALA 20 3HB ALA 20 -7.564 -1.938 -25.007 160 H VAL 21 H VAL 21 -8.031 0.776 -23.557 161 HA VAL 21 HA VAL 21 -9.680 1.893 -21.539 162 HB VAL 21 HB VAL 21 -8.793 3.236 -24.093 163 HG11 VAL 21 1HG1 VAL 21 -8.796 5.227 -22.435 164 HG12 VAL 21 2HG1 VAL 21 -10.330 4.659 -23.098 165 HG13 VAL 21 3HG1 VAL 21 -9.849 4.200 -21.464 166 HG21 VAL 21 1HG2 VAL 21 -6.745 2.642 -23.298 167 HG22 VAL 21 2HG2 VAL 21 -6.994 4.099 -22.336 168 HG23 VAL 21 3HG2 VAL 21 -7.305 2.513 -21.630 169 H ASP 22 H ASP 22 -10.130 1.554 -25.055 170 HA ASP 22 HA ASP 22 -13.034 1.752 -24.603 171 HB2 ASP 22 2HB ASP 22 -11.671 3.694 -25.856 172 HB3 ASP 22 3HB ASP 22 -11.949 2.624 -27.228 173 H ALA 23 H ALA 23 -14.100 1.054 -26.896 174 HA ALA 23 HA ALA 23 -13.411 -1.734 -27.143 175 HB1 ALA 23 1HB ALA 23 -15.638 0.002 -28.061 176 HB2 ALA 23 2HB ALA 23 -15.339 -1.495 -28.945 177 HB3 ALA 23 3HB ALA 23 -15.680 -1.545 -27.215 178 H ALA 24 H ALA 24 -13.099 1.178 -29.075 179 HA ALA 24 HA ALA 24 -12.407 -0.073 -31.517 180 HB1 ALA 24 1HB ALA 24 -13.082 2.141 -31.730 181 HB2 ALA 24 2HB ALA 24 -12.034 2.690 -30.421 182 HB3 ALA 24 3HB ALA 24 -11.337 2.226 -31.973 183 H THR 25 H THR 25 -10.478 1.151 -28.812 184 HA THR 25 HA THR 25 -7.939 0.844 -29.916 185 HB THR 25 HB THR 25 -8.663 0.401 -27.015 186 HG1 THR 25 HG1 THR 25 -9.311 2.421 -27.210 187 HG21 THR 25 1HG2 THR 25 -6.292 1.586 -26.914 188 HG22 THR 25 2HG2 THR 25 -6.124 0.838 -28.502 189 HG23 THR 25 3HG2 THR 25 -6.446 -0.162 -27.086 190 H ALA 26 H ALA 26 -9.967 -1.489 -28.191 191 HA ALA 26 HA ALA 26 -7.998 -3.573 -28.282 192 HB1 ALA 26 1HB ALA 26 -9.459 -4.828 -27.051 193 HB2 ALA 26 2HB ALA 26 -10.043 -3.210 -26.661 194 HB3 ALA 26 3HB ALA 26 -10.880 -4.182 -27.871 195 H GLU 27 H GLU 27 -10.514 -2.438 -30.372 196 HA GLU 27 HA GLU 27 -10.822 -4.838 -31.886 197 HB2 GLU 27 2HB GLU 27 -11.695 -2.002 -32.171 198 HB3 GLU 27 3HB GLU 27 -11.721 -3.021 -33.604 199 HG2 GLU 27 2HG GLU 27 -12.983 -4.022 -31.102 200 HG3 GLU 27 3HG GLU 27 -13.821 -2.803 -32.061 201 H LYS 28 H LYS 28 -8.799 -1.975 -32.142 202 HA LYS 28 HA LYS 28 -7.833 -2.254 -34.724 203 HB2 LYS 28 2HB LYS 28 -6.753 -1.074 -32.208 204 HB3 LYS 28 3HB LYS 28 -5.649 -1.281 -33.561 205 HG2 LYS 28 2HG LYS 28 -6.801 0.220 -34.899 206 HG3 LYS 28 3HG LYS 28 -8.281 0.084 -33.946 207 HD2 LYS 28 2HD LYS 28 -7.312 1.325 -32.143 208 HD3 LYS 28 3HD LYS 28 -5.722 1.296 -32.910 209 HE2 LYS 28 2HE LYS 28 -6.618 2.633 -34.769 210 HE3 LYS 28 3HE LYS 28 -8.185 2.685 -33.964 211 HZ1 LYS 28 1HZ LYS 28 -6.627 4.660 -33.664 212 HZ2 LYS 28 2HZ LYS 28 -5.741 3.663 -32.624 213 HZ3 LYS 28 3HZ LYS 28 -7.355 4.028 -32.274 214 H VAL 29 H VAL 29 -6.873 -3.921 -31.777 215 HA VAL 29 HA VAL 29 -4.645 -5.258 -33.017 216 HB VAL 29 HB VAL 29 -6.011 -5.838 -30.385 217 HG11 VAL 29 1HG1 VAL 29 -3.561 -6.919 -31.709 218 HG12 VAL 29 2HG1 VAL 29 -3.634 -6.809 -29.949 219 HG13 VAL 29 3HG1 VAL 29 -4.827 -7.770 -30.824 220 HG21 VAL 29 1HG2 VAL 29 -4.998 -4.037 -29.577 221 HG22 VAL 29 2HG2 VAL 29 -3.435 -4.682 -30.079 222 HG23 VAL 29 3HG2 VAL 29 -4.365 -3.666 -31.181 223 H PHE 30 H PHE 30 -8.024 -5.904 -32.487 224 HA PHE 30 HA PHE 30 -7.912 -8.715 -32.927 225 HB2 PHE 30 2HB PHE 30 -10.076 -6.662 -32.791 226 HB3 PHE 30 3HB PHE 30 -10.450 -8.229 -33.501 227 HD1 PHE 30 HD1 PHE 30 -8.298 -7.289 -30.610 228 HD2 PHE 30 HD2 PHE 30 -11.734 -9.392 -31.985 229 HE1 PHE 30 HE1 PHE 30 -8.621 -8.226 -28.358 230 HE2 PHE 30 HE2 PHE 30 -12.063 -10.332 -29.735 231 HZ PHE 30 HZ PHE 30 -10.506 -9.749 -27.918 232 H LYS 31 H LYS 31 -8.682 -5.939 -34.994 233 HA LYS 31 HA LYS 31 -9.335 -7.370 -37.312 234 HB2 LYS 31 2HB LYS 31 -8.868 -5.272 -38.516 235 HB3 LYS 31 3HB LYS 31 -9.839 -5.000 -37.075 236 HG2 LYS 31 2HG LYS 31 -7.970 -4.126 -35.887 237 HG3 LYS 31 3HG LYS 31 -6.858 -4.611 -37.169 238 HD2 LYS 31 2HD LYS 31 -7.181 -2.304 -37.484 239 HD3 LYS 31 3HD LYS 31 -8.209 -3.076 -38.693 240 HE2 LYS 31 2HE LYS 31 -9.378 -2.440 -36.031 241 HE3 LYS 31 3HE LYS 31 -9.101 -1.117 -37.162 242 HZ1 LYS 31 1HZ LYS 31 -11.066 -1.678 -38.009 243 HZ2 LYS 31 2HZ LYS 31 -11.103 -3.169 -37.211 244 HZ3 LYS 31 3HZ LYS 31 -10.292 -3.020 -38.688 245 H GLN 32 H GLN 32 -6.271 -6.598 -35.876 246 HA GLN 32 HA GLN 32 -4.681 -7.047 -38.201 247 HB2 GLN 32 2HB GLN 32 -4.081 -6.872 -35.261 248 HB3 GLN 32 3HB GLN 32 -2.834 -7.320 -36.417 249 HG2 GLN 32 2HG GLN 32 -3.306 -5.195 -37.634 250 HG3 GLN 32 3HG GLN 32 -4.382 -4.745 -36.312 251 HE21 GLN 32 1HE2 GLN 32 -1.076 -5.927 -36.832 252 HE22 GLN 32 2HE2 GLN 32 -0.343 -4.914 -35.640 253 H TYR 33 H TYR 33 -5.880 -9.058 -35.590 254 HA TYR 33 HA TYR 33 -4.299 -11.342 -36.388 255 HB2 TYR 33 2HB TYR 33 -6.317 -10.791 -34.248 256 HB3 TYR 33 3HB TYR 33 -5.953 -12.461 -34.672 257 HD1 TYR 33 HD1 TYR 33 -4.605 -13.399 -33.053 258 HD2 TYR 33 HD2 TYR 33 -3.823 -9.408 -34.305 259 HE1 TYR 33 HE1 TYR 33 -2.621 -13.338 -31.601 260 HE2 TYR 33 HE2 TYR 33 -1.836 -9.337 -32.858 261 HH TYR 33 HH TYR 33 -1.122 -11.895 -30.590 262 H PHE 34 H PHE 34 -7.453 -10.050 -37.010 263 HA PHE 34 HA PHE 34 -8.877 -12.296 -37.777 264 HB2 PHE 34 2HB PHE 34 -9.956 -10.142 -37.634 265 HB3 PHE 34 3HB PHE 34 -8.940 -9.498 -38.920 266 HD1 PHE 34 HD1 PHE 34 -11.821 -11.586 -38.119 267 HD2 PHE 34 HD2 PHE 34 -9.345 -10.083 -41.237 268 HE1 PHE 34 HE1 PHE 34 -13.510 -12.255 -39.778 269 HE2 PHE 34 HE2 PHE 34 -11.030 -10.749 -42.901 270 HZ PHE 34 HZ PHE 34 -13.117 -11.836 -42.173 271 H ASN 35 H ASN 35 -6.490 -10.437 -39.583 272 HA ASN 35 HA ASN 35 -6.871 -11.987 -41.991 273 HB2 ASN 35 2HB ASN 35 -6.157 -9.517 -41.851 274 HB3 ASN 35 3HB ASN 35 -4.558 -10.136 -41.449 275 HD21 ASN 35 1HD2 ASN 35 -3.459 -9.596 -43.239 276 HD22 ASN 35 2HD2 ASN 35 -3.831 -10.167 -44.827 277 H ASP 36 H ASP 36 -4.727 -11.959 -39.239 278 HA ASP 36 HA ASP 36 -2.577 -13.424 -40.165 279 HB2 ASP 36 2HB ASP 36 -3.151 -12.404 -37.790 280 HB3 ASP 36 3HB ASP 36 -3.665 -14.055 -37.456 281 H ASN 37 H ASN 37 -5.727 -14.576 -39.052 282 HA ASN 37 HA ASN 37 -4.958 -17.323 -39.729 283 HB2 ASN 37 2HB ASN 37 -7.181 -16.148 -38.076 284 HB3 ASN 37 3HB ASN 37 -7.257 -17.812 -38.648 285 HD21 ASN 37 1HD2 ASN 37 -5.094 -15.573 -36.960 286 HD22 ASN 37 2HD2 ASN 37 -4.454 -16.747 -35.864 287 H GLY 38 H GLY 38 -6.827 -14.667 -40.844 288 HA2 GLY 38 2HA GLY 38 -8.139 -14.379 -42.704 289 HA3 GLY 38 3HA GLY 38 -7.366 -15.823 -43.340 290 H LEU 39 H LEU 39 -9.372 -15.583 -40.442 291 HA LEU 39 HA LEU 39 -11.125 -17.635 -41.561 292 HB2 LEU 39 2HB LEU 39 -10.807 -16.531 -38.778 293 HB3 LEU 39 3HB LEU 39 -12.035 -17.713 -39.224 294 HG LEU 39 HG LEU 39 -9.072 -18.190 -39.501 295 HD11 LEU 39 1HD1 LEU 39 -10.199 -17.839 -37.119 296 HD12 LEU 39 2HD1 LEU 39 -8.961 -19.061 -37.409 297 HD13 LEU 39 3HD1 LEU 39 -10.664 -19.520 -37.386 298 HD21 LEU 39 1HD2 LEU 39 -9.873 -19.839 -40.797 299 HD22 LEU 39 2HD2 LEU 39 -11.509 -19.689 -40.154 300 HD23 LEU 39 3HD2 LEU 39 -10.291 -20.604 -39.264 301 H ASP 40 H ASP 40 -13.438 -17.448 -41.392 302 HA ASP 40 HA ASP 40 -14.340 -14.658 -41.647 303 HB2 ASP 40 2HB ASP 40 -14.593 -16.193 -43.633 304 HB3 ASP 40 3HB ASP 40 -15.741 -17.129 -42.679 305 H GLY 41 H GLY 41 -14.287 -14.853 -39.179 306 HA2 GLY 41 2HA GLY 41 -16.670 -16.210 -38.131 307 HA3 GLY 41 3HA GLY 41 -15.341 -15.576 -37.172 308 H GLU 42 H GLU 42 -18.073 -15.105 -36.630 309 HA GLU 42 HA GLU 42 -18.318 -12.238 -37.263 310 HB2 GLU 42 2HB GLU 42 -20.446 -14.276 -36.597 311 HB3 GLU 42 3HB GLU 42 -20.749 -12.548 -36.711 312 HG2 GLU 42 2HG GLU 42 -19.960 -12.613 -39.057 313 HG3 GLU 42 3HG GLU 42 -19.815 -14.364 -38.920 314 H TRP 43 H TRP 43 -18.075 -10.848 -35.647 315 HA TRP 43 HA TRP 43 -17.925 -11.874 -32.917 316 HB2 TRP 43 2HB TRP 43 -16.818 -9.537 -34.361 317 HB3 TRP 43 3HB TRP 43 -17.235 -9.274 -32.670 318 HD1 TRP 43 HD1 TRP 43 -15.463 -9.976 -30.948 319 HE1 TRP 43 HE1 TRP 43 -13.292 -11.357 -31.012 320 HE3 TRP 43 HE3 TRP 43 -15.753 -11.722 -35.744 321 HZ2 TRP 43 HZ2 TRP 43 -11.888 -12.972 -32.853 322 HZ3 TRP 43 HZ3 TRP 43 -13.954 -13.178 -36.580 323 HH2 TRP 43 HH2 TRP 43 -12.062 -13.789 -35.162 324 H THR 44 H THR 44 -19.098 -10.994 -31.196 325 HA THR 44 HA THR 44 -21.241 -9.108 -31.826 326 HB THR 44 HB THR 44 -22.776 -10.665 -30.392 327 HG1 THR 44 HG1 THR 44 -22.160 -12.934 -31.117 328 HG21 THR 44 1HG2 THR 44 -22.522 -11.943 -33.001 329 HG22 THR 44 2HG2 THR 44 -22.512 -10.181 -33.094 330 HG23 THR 44 3HG2 THR 44 -23.860 -11.016 -32.321 331 H TYR 45 H TYR 45 -21.525 -7.659 -30.250 332 HA TYR 45 HA TYR 45 -19.974 -7.923 -27.818 333 HB2 TYR 45 2HB TYR 45 -21.733 -5.665 -28.800 334 HB3 TYR 45 3HB TYR 45 -20.683 -5.597 -27.388 335 HD1 TYR 45 HD1 TYR 45 -18.427 -4.993 -27.605 336 HD2 TYR 45 HD2 TYR 45 -20.654 -6.037 -31.077 337 HE1 TYR 45 HE1 TYR 45 -16.563 -4.236 -29.021 338 HE2 TYR 45 HE2 TYR 45 -18.797 -5.284 -32.502 339 HH TYR 45 HH TYR 45 -15.948 -5.033 -31.833 340 H ASP 46 H ASP 46 -20.806 -9.055 -26.194 341 HA ASP 46 HA ASP 46 -23.699 -9.068 -25.763 342 HB2 ASP 46 2HB ASP 46 -21.676 -10.700 -24.239 343 HB3 ASP 46 3HB ASP 46 -23.394 -11.019 -24.460 344 H ASP 47 H ASP 47 -23.627 -6.821 -25.013 345 HA ASP 47 HA ASP 47 -22.219 -5.933 -22.780 346 HB2 ASP 47 2HB ASP 47 -23.769 -4.665 -24.477 347 HB3 ASP 47 3HB ASP 47 -25.017 -4.987 -23.277 348 H ALA 48 H ALA 48 -24.955 -8.026 -23.008 349 HA ALA 48 HA ALA 48 -26.200 -7.727 -20.565 350 HB1 ALA 48 1HB ALA 48 -26.111 -9.708 -22.623 351 HB2 ALA 48 2HB ALA 48 -26.079 -10.500 -21.047 352 HB3 ALA 48 3HB ALA 48 -27.384 -9.382 -21.446 353 H THR 49 H THR 49 -23.185 -9.376 -21.321 354 HA THR 49 HA THR 49 -22.677 -9.624 -18.434 355 HB THR 49 HB THR 49 -21.567 -11.764 -18.759 356 HG1 THR 49 HG1 THR 49 -22.253 -11.319 -21.478 357 HG21 THR 49 1HG2 THR 49 -23.584 -13.119 -19.525 358 HG22 THR 49 2HG2 THR 49 -24.385 -11.572 -19.800 359 HG23 THR 49 3HG2 THR 49 -23.843 -12.009 -18.180 360 H LYS 50 H LYS 50 -21.847 -7.827 -20.795 361 HA LYS 50 HA LYS 50 -19.982 -6.756 -21.550 362 HB2 LYS 50 2HB LYS 50 -19.162 -7.542 -18.759 363 HB3 LYS 50 3HB LYS 50 -18.136 -6.554 -19.792 364 HG2 LYS 50 2HG LYS 50 -19.221 -4.910 -18.667 365 HG3 LYS 50 3HG LYS 50 -20.348 -5.123 -20.008 366 HD2 LYS 50 2HD LYS 50 -21.688 -5.088 -18.074 367 HD3 LYS 50 3HD LYS 50 -21.561 -6.792 -18.516 368 HE2 LYS 50 2HE LYS 50 -19.955 -7.198 -16.812 369 HE3 LYS 50 3HE LYS 50 -19.752 -5.474 -16.502 370 HZ1 LYS 50 1HZ LYS 50 -21.635 -5.378 -15.281 371 HZ2 LYS 50 2HZ LYS 50 -21.292 -7.013 -15.019 372 HZ3 LYS 50 3HZ LYS 50 -22.437 -6.565 -16.181 373 H THR 51 H THR 51 -20.138 -9.224 -22.639 374 HA THR 51 HA THR 51 -17.313 -10.012 -22.794 375 HB THR 51 HB THR 51 -19.595 -11.996 -22.777 376 HG1 THR 51 HG1 THR 51 -19.365 -11.966 -20.682 377 HG21 THR 51 1HG2 THR 51 -17.913 -12.977 -24.046 378 HG22 THR 51 2HG2 THR 51 -17.546 -13.553 -22.420 379 HG23 THR 51 3HG2 THR 51 -16.626 -12.217 -23.110 380 H PHE 52 H PHE 52 -16.631 -10.792 -24.810 381 HA PHE 52 HA PHE 52 -18.416 -10.063 -27.022 382 HB2 PHE 52 2HB PHE 52 -15.446 -10.578 -27.188 383 HB3 PHE 52 3HB PHE 52 -16.465 -9.754 -28.364 384 HD1 PHE 52 HD1 PHE 52 -17.938 -7.817 -26.904 385 HD2 PHE 52 HD2 PHE 52 -13.930 -9.113 -26.295 386 HE1 PHE 52 HE1 PHE 52 -17.403 -5.657 -25.853 387 HE2 PHE 52 HE2 PHE 52 -13.389 -6.955 -25.243 388 HZ PHE 52 HZ PHE 52 -15.126 -5.225 -25.020 389 H THR 53 H THR 53 -19.477 -11.686 -27.928 390 HA THR 53 HA THR 53 -18.376 -14.390 -27.820 391 HB THR 53 HB THR 53 -21.102 -13.434 -28.718 392 HG1 THR 53 HG1 THR 53 -20.102 -14.510 -26.291 393 HG21 THR 53 1HG2 THR 53 -21.017 -15.438 -29.798 394 HG22 THR 53 2HG2 THR 53 -21.459 -16.031 -28.197 395 HG23 THR 53 3HG2 THR 53 -19.777 -16.087 -28.725 396 H VAL 54 H VAL 54 -17.647 -15.485 -29.552 397 HA VAL 54 HA VAL 54 -17.821 -14.145 -32.173 398 HB VAL 54 HB VAL 54 -15.655 -16.038 -31.252 399 HG11 VAL 54 1HG1 VAL 54 -15.516 -16.204 -33.516 400 HG12 VAL 54 2HG1 VAL 54 -16.260 -14.628 -33.790 401 HG13 VAL 54 3HG1 VAL 54 -14.569 -14.732 -33.300 402 HG21 VAL 54 1HG2 VAL 54 -15.828 -13.045 -31.228 403 HG22 VAL 54 2HG2 VAL 54 -15.296 -14.138 -29.949 404 HG23 VAL 54 3HG2 VAL 54 -14.273 -13.867 -31.359 405 H THR 55 H THR 55 -19.462 -15.137 -33.202 406 HA THR 55 HA THR 55 -19.574 -18.074 -33.160 407 HB THR 55 HB THR 55 -21.727 -16.306 -34.293 408 HG1 THR 55 HG1 THR 55 -21.769 -17.235 -31.621 409 HG21 THR 55 1HG2 THR 55 -22.428 -18.393 -34.803 410 HG22 THR 55 2HG2 THR 55 -22.938 -18.423 -33.115 411 HG23 THR 55 3HG2 THR 55 -21.400 -19.147 -33.585 412 H GLU 56 H GLU 56 -18.291 -18.826 -34.750 413 HA GLU 56 HA GLU 56 -17.994 -17.484 -37.266 414 HB2 GLU 56 2HB GLU 56 -16.678 -19.519 -37.888 415 HB3 GLU 56 3HB GLU 56 -16.114 -18.710 -36.433 416 HG2 GLU 56 2HG GLU 56 -16.947 -20.384 -35.036 417 HG3 GLU 56 3HG GLU 56 -17.993 -21.037 -36.295 Start of MODEL 2 1 H1 MET 1 H MET 1 -10.525 -0.054 -19.681 2 HA MET 1 HA MET 1 -11.999 -1.113 -17.373 3 HB2 MET 1 2HB MET 1 -13.091 -0.467 -20.095 4 HB3 MET 1 3HB MET 1 -13.816 -1.737 -19.119 5 HG2 MET 1 2HG MET 1 -14.431 -0.218 -17.423 6 HG3 MET 1 3HG MET 1 -13.424 1.059 -18.102 7 HE1 MET 1 1HE MET 1 -16.404 0.453 -17.137 8 HE2 MET 1 2HE MET 1 -16.764 2.071 -17.738 9 HE3 MET 1 3HE MET 1 -17.654 0.680 -18.360 10 H THR 2 H THR 2 -12.396 -3.370 -17.434 11 HA THR 2 HA THR 2 -10.533 -4.812 -19.190 12 HB THR 2 HB THR 2 -11.792 -5.742 -16.602 13 HG1 THR 2 HG1 THR 2 -9.090 -4.989 -17.088 14 HG21 THR 2 1HG2 THR 2 -11.222 -7.762 -17.409 15 HG22 THR 2 2HG2 THR 2 -9.567 -7.271 -17.046 16 HG23 THR 2 3HG2 THR 2 -10.208 -7.072 -18.676 17 H PHE 3 H PHE 3 -11.227 -6.315 -20.597 18 HA PHE 3 HA PHE 3 -13.985 -7.286 -20.399 19 HB2 PHE 3 2HB PHE 3 -12.746 -5.952 -22.806 20 HB3 PHE 3 3HB PHE 3 -14.169 -6.984 -22.919 21 HD1 PHE 3 HD1 PHE 3 -16.251 -6.325 -21.697 22 HD2 PHE 3 HD2 PHE 3 -12.912 -3.717 -22.104 23 HE1 PHE 3 HE1 PHE 3 -17.688 -4.405 -21.147 24 HE2 PHE 3 HE2 PHE 3 -14.343 -1.793 -21.555 25 HZ PHE 3 HZ PHE 3 -16.735 -2.136 -21.074 26 H LYS 4 H LYS 4 -14.358 -9.073 -22.073 27 HA LYS 4 HA LYS 4 -11.916 -10.608 -22.596 28 HB2 LYS 4 2HB LYS 4 -12.760 -12.598 -21.614 29 HB3 LYS 4 3HB LYS 4 -12.988 -11.328 -20.419 30 HG2 LYS 4 2HG LYS 4 -15.364 -11.174 -21.579 31 HG3 LYS 4 3HG LYS 4 -14.994 -12.853 -21.980 32 HD2 LYS 4 2HD LYS 4 -16.180 -12.862 -19.913 33 HD3 LYS 4 3HD LYS 4 -14.491 -13.223 -19.549 34 HE2 LYS 4 2HE LYS 4 -14.116 -11.131 -18.613 35 HE3 LYS 4 3HE LYS 4 -15.495 -10.406 -19.438 36 HZ1 LYS 4 1HZ LYS 4 -15.383 -11.785 -16.914 37 HZ2 LYS 4 2HZ LYS 4 -16.649 -12.305 -17.907 38 HZ3 LYS 4 3HZ LYS 4 -16.520 -10.671 -17.488 39 H ALA 5 H ALA 5 -12.080 -12.119 -24.293 40 HA ALA 5 HA ALA 5 -14.522 -11.894 -25.928 41 HB1 ALA 5 1HB ALA 5 -13.158 -10.653 -27.255 42 HB2 ALA 5 2HB ALA 5 -11.690 -11.442 -26.678 43 HB3 ALA 5 3HB ALA 5 -12.725 -12.256 -27.852 44 H ILE 6 H ILE 6 -15.348 -13.756 -26.689 45 HA ILE 6 HA ILE 6 -13.780 -16.213 -26.248 46 HB ILE 6 HB ILE 6 -15.791 -15.988 -24.795 47 HG12 ILE 6 2HG1 ILE 6 -16.769 -18.253 -25.459 48 HG13 ILE 6 3HG1 ILE 6 -15.663 -18.214 -26.828 49 HG21 ILE 6 1HG2 ILE 6 -17.284 -16.159 -27.410 50 HG22 ILE 6 2HG2 ILE 6 -18.010 -16.254 -25.805 51 HG23 ILE 6 3HG2 ILE 6 -17.224 -14.765 -26.331 52 HD11 ILE 6 1HD1 ILE 6 -15.061 -18.462 -23.918 53 HD12 ILE 6 2HD1 ILE 6 -14.503 -19.448 -25.269 54 HD13 ILE 6 3HD1 ILE 6 -13.846 -17.829 -25.029 55 H ILE 7 H ILE 7 -13.622 -17.689 -27.870 56 HA ILE 7 HA ILE 7 -14.789 -16.912 -30.457 57 HB ILE 7 HB ILE 7 -12.382 -18.670 -29.976 58 HG12 ILE 7 2HG1 ILE 7 -12.528 -15.773 -30.838 59 HG13 ILE 7 3HG1 ILE 7 -11.955 -16.354 -29.279 60 HG21 ILE 7 1HG2 ILE 7 -11.991 -18.358 -32.382 61 HG22 ILE 7 2HG2 ILE 7 -13.523 -19.167 -32.057 62 HG23 ILE 7 3HG2 ILE 7 -13.504 -17.460 -32.499 63 HD11 ILE 7 1HD1 ILE 7 -10.576 -16.171 -31.828 64 HD12 ILE 7 2HD1 ILE 7 -9.930 -16.283 -30.190 65 HD13 ILE 7 3HD1 ILE 7 -10.400 -17.746 -31.055 66 H ASN 8 H ASN 8 -16.247 -18.202 -31.373 67 HA ASN 8 HA ASN 8 -16.873 -20.743 -30.103 68 HB2 ASN 8 2HB ASN 8 -18.600 -18.970 -30.798 69 HB3 ASN 8 3HB ASN 8 -18.331 -19.531 -32.445 70 HD21 ASN 8 1HD2 ASN 8 -18.631 -21.162 -29.307 71 HD22 ASN 8 2HD2 ASN 8 -19.888 -22.240 -29.798 72 H GLY 9 H GLY 9 -17.214 -22.690 -31.362 73 HA2 GLY 9 2HA GLY 9 -16.694 -23.226 -33.959 74 HA3 GLY 9 3HA GLY 9 -15.082 -23.074 -33.277 75 H LYS 10 H LYS 10 -17.460 -25.222 -34.034 76 HA LYS 10 HA LYS 10 -17.433 -27.020 -31.867 77 HB2 LYS 10 2HB LYS 10 -19.127 -27.143 -33.610 78 HB3 LYS 10 3HB LYS 10 -17.901 -27.523 -34.812 79 HG2 LYS 10 2HG LYS 10 -17.628 -29.678 -34.054 80 HG3 LYS 10 3HG LYS 10 -18.225 -29.297 -32.437 81 HD2 LYS 10 2HD LYS 10 -20.054 -29.082 -34.795 82 HD3 LYS 10 3HD LYS 10 -19.716 -30.661 -34.083 83 HE2 LYS 10 2HE LYS 10 -21.538 -30.081 -32.844 84 HE3 LYS 10 3HE LYS 10 -20.276 -29.362 -31.845 85 HZ1 LYS 10 1HZ LYS 10 -20.845 -27.260 -32.474 86 HZ2 LYS 10 2HZ LYS 10 -22.367 -27.994 -32.559 87 HZ3 LYS 10 3HZ LYS 10 -21.472 -27.737 -33.972 88 H THR 11 H THR 11 -15.376 -26.722 -34.720 89 HA THR 11 HA THR 11 -13.899 -29.107 -34.265 90 HB THR 11 HB THR 11 -12.183 -27.932 -35.791 91 HG1 THR 11 HG1 THR 11 -13.061 -25.797 -35.360 92 HG21 THR 11 1HG2 THR 11 -13.223 -28.922 -37.525 93 HG22 THR 11 2HG2 THR 11 -14.704 -27.992 -37.294 94 HG23 THR 11 3HG2 THR 11 -14.401 -29.427 -36.315 95 H LEU 12 H LEU 12 -13.487 -25.750 -33.293 96 HA LEU 12 HA LEU 12 -11.766 -26.495 -31.138 97 HB2 LEU 12 2HB LEU 12 -10.194 -26.508 -33.053 98 HB3 LEU 12 3HB LEU 12 -10.580 -24.814 -33.342 99 HG LEU 12 HG LEU 12 -9.745 -24.463 -30.912 100 HD11 LEU 12 1HD1 LEU 12 -9.614 -27.083 -30.732 101 HD12 LEU 12 2HD1 LEU 12 -8.430 -26.052 -29.929 102 HD13 LEU 12 3HD1 LEU 12 -8.027 -26.829 -31.459 103 HD21 LEU 12 1HD2 LEU 12 -7.771 -23.733 -31.776 104 HD22 LEU 12 2HD2 LEU 12 -8.652 -23.988 -33.283 105 HD23 LEU 12 3HD2 LEU 12 -7.506 -25.203 -32.712 106 H LYS 13 H LYS 13 -11.577 -24.884 -29.595 107 HA LYS 13 HA LYS 13 -13.041 -22.392 -30.174 108 HB2 LYS 13 2HB LYS 13 -13.136 -24.230 -27.817 109 HB3 LYS 13 3HB LYS 13 -13.414 -22.512 -27.566 110 HG2 LYS 13 2HG LYS 13 -15.347 -22.511 -28.870 111 HG3 LYS 13 3HG LYS 13 -14.939 -24.047 -29.639 112 HD2 LYS 13 2HD LYS 13 -15.479 -25.278 -27.713 113 HD3 LYS 13 3HD LYS 13 -15.457 -23.842 -26.685 114 HE2 LYS 13 2HE LYS 13 -17.402 -23.975 -28.940 115 HE3 LYS 13 3HE LYS 13 -17.725 -24.911 -27.483 116 HZ1 LYS 13 1HZ LYS 13 -18.721 -22.963 -26.928 117 HZ2 LYS 13 2HZ LYS 13 -17.674 -22.012 -27.856 118 HZ3 LYS 13 3HZ LYS 13 -17.166 -22.617 -26.360 119 H GLY 14 H GLY 14 -12.442 -20.563 -28.719 120 HA2 GLY 14 2HA GLY 14 -9.670 -20.723 -27.752 121 HA3 GLY 14 3HA GLY 14 -10.095 -19.484 -28.923 122 H GLU 15 H GLU 15 -9.065 -19.115 -26.246 123 HA GLU 15 HA GLU 15 -11.231 -17.432 -25.211 124 HB2 GLU 15 2HB GLU 15 -10.438 -18.083 -22.868 125 HB3 GLU 15 3HB GLU 15 -11.410 -19.257 -23.743 126 HG2 GLU 15 2HG GLU 15 -9.520 -20.591 -24.239 127 HG3 GLU 15 3HG GLU 15 -8.408 -19.335 -23.699 128 H THR 16 H THR 16 -10.505 -15.419 -25.248 129 HA THR 16 HA THR 16 -7.808 -14.859 -24.247 130 HB THR 16 HB THR 16 -7.517 -13.150 -26.076 131 HG1 THR 16 HG1 THR 16 -9.575 -14.644 -27.362 132 HG21 THR 16 1HG2 THR 16 -6.927 -15.856 -26.043 133 HG22 THR 16 2HG2 THR 16 -6.236 -14.651 -27.129 134 HG23 THR 16 3HG2 THR 16 -7.635 -15.598 -27.637 135 H THR 17 H THR 17 -7.520 -12.745 -23.422 136 HA THR 17 HA THR 17 -10.033 -11.276 -22.950 137 HB THR 17 HB THR 17 -8.589 -10.504 -20.826 138 HG1 THR 17 HG1 THR 17 -7.106 -11.924 -20.268 139 HG21 THR 17 1HG2 THR 17 -10.725 -12.348 -21.328 140 HG22 THR 17 2HG2 THR 17 -10.439 -11.340 -19.909 141 HG23 THR 17 3HG2 THR 17 -9.727 -12.950 -20.005 142 H THR 18 H THR 18 -9.734 -8.961 -22.454 143 HA THR 18 HA THR 18 -7.262 -7.710 -23.255 144 HB THR 18 HB THR 18 -9.586 -6.798 -24.880 145 HG1 THR 18 HG1 THR 18 -9.716 -8.875 -25.506 146 HG21 THR 18 1HG2 THR 18 -6.643 -6.638 -24.913 147 HG22 THR 18 2HG2 THR 18 -7.849 -5.466 -25.444 148 HG23 THR 18 3HG2 THR 18 -7.411 -6.815 -26.491 149 H GLU 19 H GLU 19 -7.139 -5.534 -22.671 150 HA GLU 19 HA GLU 19 -9.437 -4.528 -21.123 151 HB2 GLU 19 2HB GLU 19 -7.772 -3.360 -19.687 152 HB3 GLU 19 3HB GLU 19 -7.669 -5.112 -19.600 153 HG2 GLU 19 2HG GLU 19 -5.928 -4.199 -21.658 154 HG3 GLU 19 3HG GLU 19 -5.627 -3.260 -20.196 155 H ALA 20 H ALA 20 -10.324 -2.776 -21.970 156 HA ALA 20 HA ALA 20 -8.695 -0.609 -22.962 157 HB1 ALA 20 1HB ALA 20 -9.726 -2.521 -24.794 158 HB2 ALA 20 2HB ALA 20 -10.587 -1.001 -25.033 159 HB3 ALA 20 3HB ALA 20 -8.827 -1.042 -25.132 160 H VAL 21 H VAL 21 -9.784 1.355 -23.028 161 HA VAL 21 HA VAL 21 -12.187 1.469 -21.444 162 HB VAL 21 HB VAL 21 -10.402 3.140 -21.154 163 HG11 VAL 21 1HG1 VAL 21 -10.358 3.203 -23.916 164 HG12 VAL 21 2HG1 VAL 21 -11.071 4.755 -23.471 165 HG13 VAL 21 3HG1 VAL 21 -9.494 4.294 -22.832 166 HG21 VAL 21 1HG2 VAL 21 -11.816 4.952 -20.785 167 HG22 VAL 21 2HG2 VAL 21 -12.807 4.593 -22.199 168 HG23 VAL 21 3HG2 VAL 21 -12.914 3.573 -20.765 169 H ASP 22 H ASP 22 -11.361 1.625 -24.806 170 HA ASP 22 HA ASP 22 -14.168 2.259 -25.446 171 HB2 ASP 22 2HB ASP 22 -11.794 2.767 -27.245 172 HB3 ASP 22 3HB ASP 22 -13.452 3.315 -27.477 173 H ALA 23 H ALA 23 -15.032 1.235 -27.372 174 HA ALA 23 HA ALA 23 -14.416 -1.542 -27.464 175 HB1 ALA 23 1HB ALA 23 -16.626 -1.264 -27.900 176 HB2 ALA 23 2HB ALA 23 -16.380 0.253 -28.765 177 HB3 ALA 23 3HB ALA 23 -16.036 -1.282 -29.562 178 H ALA 24 H ALA 24 -13.713 1.200 -29.558 179 HA ALA 24 HA ALA 24 -12.751 -0.224 -31.780 180 HB1 ALA 24 1HB ALA 24 -13.114 1.975 -32.288 181 HB2 ALA 24 2HB ALA 24 -12.436 2.556 -30.767 182 HB3 ALA 24 3HB ALA 24 -11.365 1.999 -32.053 183 H THR 25 H THR 25 -11.142 0.926 -28.851 184 HA THR 25 HA THR 25 -8.499 0.404 -29.558 185 HB THR 25 HB THR 25 -9.696 0.087 -26.800 186 HG1 THR 25 HG1 THR 25 -9.084 2.317 -26.596 187 HG21 THR 25 1HG2 THR 25 -6.894 0.456 -27.824 188 HG22 THR 25 2HG2 THR 25 -7.512 -0.768 -26.713 189 HG23 THR 25 3HG2 THR 25 -7.344 0.905 -26.179 190 H ALA 26 H ALA 26 -10.851 -1.722 -27.946 191 HA ALA 26 HA ALA 26 -9.053 -3.954 -27.889 192 HB1 ALA 26 1HB ALA 26 -10.501 -4.356 -26.229 193 HB2 ALA 26 2HB ALA 26 -11.767 -3.371 -26.963 194 HB3 ALA 26 3HB ALA 26 -11.525 -5.036 -27.494 195 H GLU 27 H GLU 27 -11.372 -2.691 -30.128 196 HA GLU 27 HA GLU 27 -11.948 -5.033 -31.579 197 HB2 GLU 27 2HB GLU 27 -12.153 -2.111 -32.084 198 HB3 GLU 27 3HB GLU 27 -12.204 -3.173 -33.485 199 HG2 GLU 27 2HG GLU 27 -14.115 -4.325 -32.623 200 HG3 GLU 27 3HG GLU 27 -14.005 -3.457 -31.093 201 H LYS 28 H LYS 28 -9.484 -2.522 -32.076 202 HA LYS 28 HA LYS 28 -8.345 -3.508 -34.410 203 HB2 LYS 28 2HB LYS 28 -6.941 -2.116 -32.121 204 HB3 LYS 28 3HB LYS 28 -6.325 -2.267 -33.761 205 HG2 LYS 28 2HG LYS 28 -7.921 -0.795 -34.622 206 HG3 LYS 28 3HG LYS 28 -8.947 -0.933 -33.191 207 HD2 LYS 28 2HD LYS 28 -7.543 0.417 -31.907 208 HD3 LYS 28 3HD LYS 28 -6.171 0.183 -32.994 209 HE2 LYS 28 2HE LYS 28 -6.838 2.331 -33.518 210 HE3 LYS 28 3HE LYS 28 -7.688 1.379 -34.734 211 HZ1 LYS 28 1HZ LYS 28 -8.759 2.759 -32.374 212 HZ2 LYS 28 2HZ LYS 28 -9.558 1.382 -32.946 213 HZ3 LYS 28 3HZ LYS 28 -9.352 2.722 -33.959 214 H VAL 29 H VAL 29 -7.871 -4.489 -31.074 215 HA VAL 29 HA VAL 29 -5.564 -6.004 -31.280 216 HB VAL 29 HB VAL 29 -8.001 -6.668 -29.621 217 HG11 VAL 29 1HG1 VAL 29 -5.433 -7.949 -29.927 218 HG12 VAL 29 2HG1 VAL 29 -5.679 -7.401 -28.267 219 HG13 VAL 29 3HG1 VAL 29 -6.853 -8.478 -29.025 220 HG21 VAL 29 1HG2 VAL 29 -6.838 -5.429 -27.834 221 HG22 VAL 29 2HG2 VAL 29 -5.602 -4.948 -28.996 222 HG23 VAL 29 3HG2 VAL 29 -7.265 -4.399 -29.201 223 H PHE 30 H PHE 30 -8.888 -6.881 -32.093 224 HA PHE 30 HA PHE 30 -8.127 -9.576 -32.829 225 HB2 PHE 30 2HB PHE 30 -10.780 -8.213 -33.304 226 HB3 PHE 30 3HB PHE 30 -10.456 -9.942 -33.273 227 HD1 PHE 30 HD1 PHE 30 -11.914 -7.413 -31.491 228 HD2 PHE 30 HD2 PHE 30 -9.193 -10.641 -30.950 229 HE1 PHE 30 HE1 PHE 30 -12.460 -7.467 -29.093 230 HE2 PHE 30 HE2 PHE 30 -9.735 -10.700 -28.550 231 HZ PHE 30 HZ PHE 30 -11.371 -9.112 -27.619 232 H LYS 31 H LYS 31 -8.668 -6.508 -34.368 233 HA LYS 31 HA LYS 31 -9.170 -7.256 -36.988 234 HB2 LYS 31 2HB LYS 31 -9.297 -4.948 -36.371 235 HB3 LYS 31 3HB LYS 31 -7.609 -4.923 -35.877 236 HG2 LYS 31 2HG LYS 31 -6.840 -4.762 -38.015 237 HG3 LYS 31 3HG LYS 31 -8.226 -5.617 -38.697 238 HD2 LYS 31 2HD LYS 31 -9.542 -3.727 -38.738 239 HD3 LYS 31 3HD LYS 31 -8.644 -2.946 -37.434 240 HE2 LYS 31 2HE LYS 31 -7.517 -3.439 -40.185 241 HE3 LYS 31 3HE LYS 31 -8.314 -1.939 -39.709 242 HZ1 LYS 31 1HZ LYS 31 -6.282 -1.305 -39.093 243 HZ2 LYS 31 2HZ LYS 31 -5.665 -2.880 -39.101 244 HZ3 LYS 31 3HZ LYS 31 -6.497 -2.305 -37.744 245 H GLN 32 H GLN 32 -6.195 -7.359 -35.172 246 HA GLN 32 HA GLN 32 -4.554 -7.836 -37.502 247 HB2 GLN 32 2HB GLN 32 -3.844 -6.676 -35.310 248 HB3 GLN 32 3HB GLN 32 -3.707 -8.303 -34.655 249 HG2 GLN 32 2HG GLN 32 -2.322 -7.629 -37.205 250 HG3 GLN 32 3HG GLN 32 -1.633 -7.102 -35.672 251 HE21 GLN 32 1HE2 GLN 32 -1.891 -9.042 -33.974 252 HE22 GLN 32 2HE2 GLN 32 -1.188 -10.520 -34.530 253 H TYR 33 H TYR 33 -6.285 -9.700 -35.151 254 HA TYR 33 HA TYR 33 -4.880 -12.153 -35.571 255 HB2 TYR 33 2HB TYR 33 -7.343 -11.312 -34.128 256 HB3 TYR 33 3HB TYR 33 -7.194 -13.014 -34.552 257 HD1 TYR 33 HD1 TYR 33 -4.650 -13.912 -34.043 258 HD2 TYR 33 HD2 TYR 33 -6.684 -10.791 -31.989 259 HE1 TYR 33 HE1 TYR 33 -3.219 -14.282 -32.077 260 HE2 TYR 33 HE2 TYR 33 -5.258 -11.150 -30.018 261 HH TYR 33 HH TYR 33 -2.628 -12.312 -29.836 262 H PHE 34 H PHE 34 -7.500 -10.513 -37.137 263 HA PHE 34 HA PHE 34 -8.834 -12.588 -38.394 264 HB2 PHE 34 2HB PHE 34 -8.365 -9.718 -39.023 265 HB3 PHE 34 3HB PHE 34 -8.988 -10.736 -40.318 266 HD1 PHE 34 HD1 PHE 34 -11.206 -10.159 -40.585 267 HD2 PHE 34 HD2 PHE 34 -9.681 -10.786 -36.661 268 HE1 PHE 34 HE1 PHE 34 -13.479 -9.930 -39.668 269 HE2 PHE 34 HE2 PHE 34 -11.950 -10.559 -35.738 270 HZ PHE 34 HZ PHE 34 -13.853 -10.132 -37.242 271 H ASN 35 H ASN 35 -5.831 -10.975 -39.321 272 HA ASN 35 HA ASN 35 -5.573 -12.545 -41.736 273 HB2 ASN 35 2HB ASN 35 -4.722 -10.330 -41.888 274 HB3 ASN 35 3HB ASN 35 -3.808 -10.501 -40.392 275 HD21 ASN 35 1HD2 ASN 35 -3.851 -11.000 -43.776 276 HD22 ASN 35 2HD2 ASN 35 -2.253 -11.638 -43.930 277 H ASP 36 H ASP 36 -4.469 -12.658 -38.446 278 HA ASP 36 HA ASP 36 -2.286 -14.430 -38.826 279 HB2 ASP 36 2HB ASP 36 -2.392 -13.154 -36.797 280 HB3 ASP 36 3HB ASP 36 -3.981 -13.806 -36.406 281 H ASN 37 H ASN 37 -5.695 -14.928 -37.997 282 HA ASN 37 HA ASN 37 -5.317 -17.824 -38.152 283 HB2 ASN 37 2HB ASN 37 -6.674 -16.535 -36.314 284 HB3 ASN 37 3HB ASN 37 -7.947 -16.527 -37.531 285 HD21 ASN 37 1HD2 ASN 37 -8.704 -17.761 -35.428 286 HD22 ASN 37 2HD2 ASN 37 -8.603 -19.481 -35.556 287 H GLY 38 H GLY 38 -6.520 -15.174 -39.975 288 HA2 GLY 38 2HA GLY 38 -7.377 -15.065 -42.104 289 HA3 GLY 38 3HA GLY 38 -6.926 -16.753 -42.290 290 H LEU 39 H LEU 39 -9.065 -15.747 -39.737 291 HA LEU 39 HA LEU 39 -11.283 -17.074 -41.151 292 HB2 LEU 39 2HB LEU 39 -10.234 -17.956 -38.901 293 HB3 LEU 39 3HB LEU 39 -11.276 -16.723 -38.193 294 HG LEU 39 HG LEU 39 -12.340 -18.908 -38.131 295 HD11 LEU 39 1HD1 LEU 39 -13.568 -16.675 -38.678 296 HD12 LEU 39 2HD1 LEU 39 -14.429 -18.210 -38.795 297 HD13 LEU 39 3HD1 LEU 39 -13.823 -17.426 -40.254 298 HD21 LEU 39 1HD2 LEU 39 -11.227 -19.161 -40.725 299 HD22 LEU 39 2HD2 LEU 39 -12.979 -19.290 -40.874 300 HD23 LEU 39 3HD2 LEU 39 -12.104 -20.366 -39.784 301 H ASP 40 H ASP 40 -13.078 -15.945 -41.548 302 HA ASP 40 HA ASP 40 -13.252 -13.221 -40.475 303 HB2 ASP 40 2HB ASP 40 -14.978 -12.934 -42.310 304 HB3 ASP 40 3HB ASP 40 -13.329 -13.228 -42.853 305 H GLY 41 H GLY 41 -13.944 -14.350 -38.413 306 HA2 GLY 41 2HA GLY 41 -16.605 -15.468 -38.377 307 HA3 GLY 41 3HA GLY 41 -15.581 -15.157 -36.982 308 H GLU 42 H GLU 42 -18.231 -14.620 -36.787 309 HA GLU 42 HA GLU 42 -18.527 -11.736 -37.218 310 HB2 GLU 42 2HB GLU 42 -20.573 -13.787 -36.352 311 HB3 GLU 42 3HB GLU 42 -20.900 -12.094 -36.691 312 HG2 GLU 42 2HG GLU 42 -19.884 -14.107 -38.684 313 HG3 GLU 42 3HG GLU 42 -21.552 -13.556 -38.539 314 H TRP 43 H TRP 43 -17.794 -10.515 -35.612 315 HA TRP 43 HA TRP 43 -17.682 -11.503 -32.898 316 HB2 TRP 43 2HB TRP 43 -16.601 -9.186 -34.384 317 HB3 TRP 43 3HB TRP 43 -16.948 -8.905 -32.680 318 HD1 TRP 43 HD1 TRP 43 -15.061 -9.531 -31.068 319 HE1 TRP 43 HE1 TRP 43 -12.941 -10.986 -31.188 320 HE3 TRP 43 HE3 TRP 43 -15.711 -11.529 -35.729 321 HZ2 TRP 43 HZ2 TRP 43 -11.707 -12.747 -33.017 322 HZ3 TRP 43 HZ3 TRP 43 -14.015 -13.089 -36.590 323 HH2 TRP 43 HH2 TRP 43 -12.055 -13.684 -35.261 324 H THR 44 H THR 44 -18.869 -10.796 -31.163 325 HA THR 44 HA THR 44 -21.050 -8.899 -31.716 326 HB THR 44 HB THR 44 -21.557 -11.151 -29.827 327 HG1 THR 44 HG1 THR 44 -20.728 -12.081 -31.822 328 HG21 THR 44 1HG2 THR 44 -23.851 -10.873 -30.691 329 HG22 THR 44 2HG2 THR 44 -23.271 -9.620 -31.787 330 HG23 THR 44 3HG2 THR 44 -23.198 -9.370 -30.043 331 H TYR 45 H TYR 45 -21.913 -7.827 -29.829 332 HA TYR 45 HA TYR 45 -19.918 -7.618 -27.672 333 HB2 TYR 45 2HB TYR 45 -20.180 -5.570 -29.016 334 HB3 TYR 45 3HB TYR 45 -21.898 -5.540 -28.635 335 HD1 TYR 45 HD1 TYR 45 -22.295 -3.705 -27.284 336 HD2 TYR 45 HD2 TYR 45 -18.896 -6.137 -26.493 337 HE1 TYR 45 HE1 TYR 45 -21.827 -2.382 -25.264 338 HE2 TYR 45 HE2 TYR 45 -18.419 -4.823 -24.469 339 HH TYR 45 HH TYR 45 -20.535 -2.149 -23.474 340 H ASP 46 H ASP 46 -20.634 -8.929 -26.090 341 HA ASP 46 HA ASP 46 -23.467 -8.898 -25.365 342 HB2 ASP 46 2HB ASP 46 -21.338 -10.611 -24.096 343 HB3 ASP 46 3HB ASP 46 -23.075 -10.897 -24.166 344 H ASP 47 H ASP 47 -23.237 -6.661 -24.573 345 HA ASP 47 HA ASP 47 -21.609 -5.897 -22.446 346 HB2 ASP 47 2HB ASP 47 -23.278 -4.536 -23.973 347 HB3 ASP 47 3HB ASP 47 -24.393 -4.821 -22.639 348 H ALA 48 H ALA 48 -24.433 -7.882 -22.497 349 HA ALA 48 HA ALA 48 -25.456 -7.614 -19.951 350 HB1 ALA 48 1HB ALA 48 -26.744 -9.056 -21.123 351 HB2 ALA 48 2HB ALA 48 -25.367 -9.793 -21.942 352 HB3 ALA 48 3HB ALA 48 -25.758 -10.255 -20.286 353 H THR 49 H THR 49 -22.577 -9.340 -21.004 354 HA THR 49 HA THR 49 -21.849 -9.708 -18.177 355 HB THR 49 HB THR 49 -20.836 -11.862 -18.664 356 HG1 THR 49 HG1 THR 49 -20.615 -12.590 -20.663 357 HG21 THR 49 1HG2 THR 49 -23.679 -11.724 -19.677 358 HG22 THR 49 2HG2 THR 49 -23.187 -11.852 -17.987 359 HG23 THR 49 3HG2 THR 49 -22.859 -13.176 -19.105 360 H LYS 50 H LYS 50 -21.154 -7.856 -20.552 361 HA LYS 50 HA LYS 50 -19.322 -6.809 -21.416 362 HB2 LYS 50 2HB LYS 50 -18.215 -7.718 -18.756 363 HB3 LYS 50 3HB LYS 50 -17.394 -6.587 -19.823 364 HG2 LYS 50 2HG LYS 50 -18.449 -5.183 -18.334 365 HG3 LYS 50 3HG LYS 50 -19.598 -5.232 -19.674 366 HD2 LYS 50 2HD LYS 50 -21.050 -6.666 -18.521 367 HD3 LYS 50 3HD LYS 50 -19.811 -7.124 -17.351 368 HE2 LYS 50 2HE LYS 50 -19.946 -5.056 -16.243 369 HE3 LYS 50 3HE LYS 50 -20.815 -4.302 -17.579 370 HZ1 LYS 50 1HZ LYS 50 -21.844 -5.718 -15.342 371 HZ2 LYS 50 2HZ LYS 50 -22.378 -6.422 -16.785 372 HZ3 LYS 50 3HZ LYS 50 -22.668 -4.783 -16.486 373 H THR 51 H THR 51 -19.589 -9.156 -22.632 374 HA THR 51 HA THR 51 -16.813 -10.018 -23.003 375 HB THR 51 HB THR 51 -19.122 -11.958 -22.765 376 HG1 THR 51 HG1 THR 51 -18.616 -11.924 -20.718 377 HG21 THR 51 1HG2 THR 51 -16.217 -12.279 -23.462 378 HG22 THR 51 2HG2 THR 51 -17.633 -12.900 -24.310 379 HG23 THR 51 3HG2 THR 51 -17.147 -13.606 -22.769 380 H PHE 52 H PHE 52 -16.301 -10.698 -25.086 381 HA PHE 52 HA PHE 52 -18.253 -9.906 -27.119 382 HB2 PHE 52 2HB PHE 52 -15.296 -10.472 -27.418 383 HB3 PHE 52 3HB PHE 52 -16.356 -9.798 -28.652 384 HD1 PHE 52 HD1 PHE 52 -14.164 -9.082 -25.946 385 HD2 PHE 52 HD2 PHE 52 -17.477 -7.557 -28.142 386 HE1 PHE 52 HE1 PHE 52 -13.652 -6.815 -25.138 387 HE2 PHE 52 HE2 PHE 52 -16.970 -5.288 -27.337 388 HZ PHE 52 HZ PHE 52 -15.055 -4.914 -25.834 389 H THR 53 H THR 53 -19.446 -11.453 -27.993 390 HA THR 53 HA THR 53 -18.481 -14.210 -27.999 391 HB THR 53 HB THR 53 -21.208 -13.103 -28.697 392 HG1 THR 53 HG1 THR 53 -21.752 -14.068 -26.655 393 HG21 THR 53 1HG2 THR 53 -21.592 -15.090 -29.636 394 HG22 THR 53 2HG2 THR 53 -21.380 -15.818 -28.044 395 HG23 THR 53 3HG2 THR 53 -20.009 -15.688 -29.144 396 H VAL 54 H VAL 54 -17.485 -14.986 -29.729 397 HA VAL 54 HA VAL 54 -18.000 -13.744 -32.344 398 HB VAL 54 HB VAL 54 -15.687 -15.534 -31.597 399 HG11 VAL 54 1HG1 VAL 54 -15.805 -15.592 -33.899 400 HG12 VAL 54 2HG1 VAL 54 -16.433 -13.947 -34.015 401 HG13 VAL 54 3HG1 VAL 54 -14.733 -14.218 -33.634 402 HG21 VAL 54 1HG2 VAL 54 -14.353 -13.458 -31.489 403 HG22 VAL 54 2HG2 VAL 54 -15.839 -12.521 -31.646 404 HG23 VAL 54 3HG2 VAL 54 -15.586 -13.541 -30.230 405 H THR 55 H THR 55 -19.352 -14.811 -33.615 406 HA THR 55 HA THR 55 -19.354 -17.758 -33.515 407 HB THR 55 HB THR 55 -21.776 -17.348 -34.518 408 HG1 THR 55 HG1 THR 55 -22.693 -15.476 -33.836 409 HG21 THR 55 1HG2 THR 55 -22.582 -18.070 -32.510 410 HG22 THR 55 2HG2 THR 55 -21.656 -16.884 -31.589 411 HG23 THR 55 3HG2 THR 55 -20.864 -18.331 -32.212 412 H GLU 56 H GLU 56 -18.141 -18.319 -35.238 413 HA GLU 56 HA GLU 56 -17.894 -16.910 -37.634 414 HB2 GLU 56 2HB GLU 56 -16.769 -18.808 -38.495 415 HB3 GLU 56 3HB GLU 56 -16.410 -18.775 -36.775 416 HG2 GLU 56 2HG GLU 56 -18.508 -20.498 -38.074 417 HG3 GLU 56 3HG GLU 56 -16.894 -21.032 -37.606 Start of MODEL 3 1 H1 MET 1 H MET 1 -9.736 -0.869 -19.828 2 HA MET 1 HA MET 1 -11.506 -1.740 -17.641 3 HB2 MET 1 2HB MET 1 -12.231 -1.239 -20.530 4 HB3 MET 1 3HB MET 1 -13.281 -2.059 -19.382 5 HG2 MET 1 2HG MET 1 -12.859 0.137 -17.977 6 HG3 MET 1 3HG MET 1 -12.546 0.805 -19.577 7 HE1 MET 1 1HE MET 1 -16.011 2.237 -19.194 8 HE2 MET 1 2HE MET 1 -14.316 2.429 -18.745 9 HE3 MET 1 3HE MET 1 -14.766 2.270 -20.444 10 H THR 2 H THR 2 -11.798 -3.897 -17.408 11 HA THR 2 HA THR 2 -10.161 -5.632 -19.093 12 HB THR 2 HB THR 2 -11.640 -6.360 -16.560 13 HG1 THR 2 HG1 THR 2 -9.861 -5.769 -15.463 14 HG21 THR 2 1HG2 THR 2 -10.603 -8.387 -16.637 15 HG22 THR 2 2HG2 THR 2 -9.183 -7.752 -17.468 16 HG23 THR 2 3HG2 THR 2 -10.667 -8.067 -18.369 17 H PHE 3 H PHE 3 -11.150 -6.386 -20.854 18 HA PHE 3 HA PHE 3 -13.976 -7.172 -20.658 19 HB2 PHE 3 2HB PHE 3 -12.326 -6.642 -23.138 20 HB3 PHE 3 3HB PHE 3 -14.052 -6.989 -23.093 21 HD1 PHE 3 HD1 PHE 3 -11.561 -4.458 -23.021 22 HD2 PHE 3 HD2 PHE 3 -15.544 -5.347 -21.816 23 HE1 PHE 3 HE1 PHE 3 -12.032 -2.051 -22.814 24 HE2 PHE 3 HE2 PHE 3 -16.023 -2.943 -21.607 25 HZ PHE 3 HZ PHE 3 -14.266 -1.291 -22.107 26 H LYS 4 H LYS 4 -14.576 -9.059 -22.098 27 HA LYS 4 HA LYS 4 -12.476 -11.125 -22.007 28 HB2 LYS 4 2HB LYS 4 -14.035 -11.558 -20.212 29 HB3 LYS 4 3HB LYS 4 -15.404 -11.392 -21.305 30 HG2 LYS 4 2HG LYS 4 -15.042 -13.714 -20.868 31 HG3 LYS 4 3HG LYS 4 -14.594 -13.382 -22.542 32 HD2 LYS 4 2HD LYS 4 -12.812 -14.665 -21.865 33 HD3 LYS 4 3HD LYS 4 -12.206 -13.046 -21.509 34 HE2 LYS 4 2HE LYS 4 -12.725 -13.280 -19.194 35 HE3 LYS 4 3HE LYS 4 -13.619 -14.772 -19.484 36 HZ1 LYS 4 1HZ LYS 4 -10.871 -14.438 -18.961 37 HZ2 LYS 4 2HZ LYS 4 -11.056 -15.149 -20.485 38 HZ3 LYS 4 3HZ LYS 4 -11.750 -15.875 -19.124 39 H ALA 5 H ALA 5 -12.495 -12.684 -23.645 40 HA ALA 5 HA ALA 5 -14.309 -12.144 -25.902 41 HB1 ALA 5 1HB ALA 5 -11.815 -13.116 -26.881 42 HB2 ALA 5 2HB ALA 5 -12.616 -11.582 -27.221 43 HB3 ALA 5 3HB ALA 5 -11.517 -11.718 -25.848 44 H ILE 6 H ILE 6 -15.386 -13.879 -26.565 45 HA ILE 6 HA ILE 6 -14.286 -16.539 -25.926 46 HB ILE 6 HB ILE 6 -16.304 -15.951 -24.590 47 HG12 ILE 6 2HG1 ILE 6 -17.602 -18.049 -25.259 48 HG13 ILE 6 3HG1 ILE 6 -16.433 -18.231 -26.562 49 HG21 ILE 6 1HG2 ILE 6 -17.676 -15.966 -27.275 50 HG22 ILE 6 2HG2 ILE 6 -18.483 -15.884 -25.710 51 HG23 ILE 6 3HG2 ILE 6 -17.439 -14.562 -26.235 52 HD11 ILE 6 1HD1 ILE 6 -16.140 -18.694 -23.673 53 HD12 ILE 6 2HD1 ILE 6 -15.381 -19.506 -25.043 54 HD13 ILE 6 3HD1 ILE 6 -14.761 -17.952 -24.484 55 H ILE 7 H ILE 7 -14.285 -18.071 -27.502 56 HA ILE 7 HA ILE 7 -15.249 -17.224 -30.154 57 HB ILE 7 HB ILE 7 -13.056 -19.222 -29.601 58 HG12 ILE 7 2HG1 ILE 7 -12.359 -17.016 -28.816 59 HG13 ILE 7 3HG1 ILE 7 -11.493 -17.439 -30.288 60 HG21 ILE 7 1HG2 ILE 7 -12.791 -18.086 -32.139 61 HG22 ILE 7 2HG2 ILE 7 -13.321 -19.721 -31.748 62 HG23 ILE 7 3HG2 ILE 7 -14.510 -18.435 -31.955 63 HD11 ILE 7 1HD1 ILE 7 -13.749 -15.489 -29.963 64 HD12 ILE 7 2HD1 ILE 7 -12.096 -15.176 -30.491 65 HD13 ILE 7 3HD1 ILE 7 -13.201 -16.070 -31.535 66 H ASN 8 H ASN 8 -16.742 -18.428 -31.141 67 HA ASN 8 HA ASN 8 -17.748 -20.788 -29.794 68 HB2 ASN 8 2HB ASN 8 -19.189 -18.941 -30.827 69 HB3 ASN 8 3HB ASN 8 -18.773 -19.642 -32.388 70 HD21 ASN 8 1HD2 ASN 8 -19.510 -21.724 -32.896 71 HD22 ASN 8 2HD2 ASN 8 -20.846 -22.435 -32.062 72 H GLY 9 H GLY 9 -16.091 -22.302 -30.128 73 HA2 GLY 9 2HA GLY 9 -15.248 -22.949 -32.821 74 HA3 GLY 9 3HA GLY 9 -14.734 -23.749 -31.343 75 H LYS 10 H LYS 10 -15.497 -24.995 -33.823 76 HA LYS 10 HA LYS 10 -18.129 -26.109 -33.452 77 HB2 LYS 10 2HB LYS 10 -16.742 -25.713 -35.664 78 HB3 LYS 10 3HB LYS 10 -16.118 -27.317 -35.303 79 HG2 LYS 10 2HG LYS 10 -19.058 -26.720 -35.464 80 HG3 LYS 10 3HG LYS 10 -18.097 -27.203 -36.863 81 HD2 LYS 10 2HD LYS 10 -17.364 -29.190 -35.374 82 HD3 LYS 10 3HD LYS 10 -18.778 -28.774 -34.403 83 HE2 LYS 10 2HE LYS 10 -19.722 -30.279 -35.839 84 HE3 LYS 10 3HE LYS 10 -19.968 -28.795 -36.758 85 HZ1 LYS 10 1HZ LYS 10 -17.489 -29.645 -37.512 86 HZ2 LYS 10 2HZ LYS 10 -18.916 -29.832 -38.401 87 HZ3 LYS 10 3HZ LYS 10 -18.375 -31.082 -37.397 88 H THR 11 H THR 11 -14.804 -27.373 -33.316 89 HA THR 11 HA THR 11 -15.823 -29.688 -31.811 90 HB THR 11 HB THR 11 -13.565 -30.709 -32.361 91 HG1 THR 11 HG1 THR 11 -13.481 -28.662 -34.336 92 HG21 THR 11 1HG2 THR 11 -14.796 -31.785 -33.873 93 HG22 THR 11 2HG2 THR 11 -14.507 -30.478 -35.021 94 HG23 THR 11 3HG2 THR 11 -15.913 -30.424 -33.958 95 H LEU 12 H LEU 12 -13.139 -27.357 -31.908 96 HA LEU 12 HA LEU 12 -12.869 -27.692 -28.996 97 HB2 LEU 12 2HB LEU 12 -11.018 -28.754 -30.320 98 HB3 LEU 12 3HB LEU 12 -10.591 -27.141 -30.886 99 HG LEU 12 HG LEU 12 -10.690 -27.695 -27.951 100 HD11 LEU 12 1HD1 LEU 12 -9.205 -29.319 -29.552 101 HD12 LEU 12 2HD1 LEU 12 -8.809 -28.909 -27.883 102 HD13 LEU 12 3HD1 LEU 12 -8.066 -28.017 -29.210 103 HD21 LEU 12 1HD2 LEU 12 -10.205 -25.503 -28.134 104 HD22 LEU 12 2HD2 LEU 12 -9.602 -25.661 -29.783 105 HD23 LEU 12 3HD2 LEU 12 -8.570 -26.098 -28.421 106 H LYS 13 H LYS 13 -12.922 -25.866 -27.838 107 HA LYS 13 HA LYS 13 -12.417 -23.308 -29.183 108 HB2 LYS 13 2HB LYS 13 -14.390 -22.308 -28.144 109 HB3 LYS 13 3HB LYS 13 -14.847 -23.649 -29.186 110 HG2 LYS 13 2HG LYS 13 -14.423 -24.180 -26.291 111 HG3 LYS 13 3HG LYS 13 -15.896 -23.350 -26.799 112 HD2 LYS 13 2HD LYS 13 -16.060 -25.285 -28.536 113 HD3 LYS 13 3HD LYS 13 -14.960 -26.120 -27.436 114 HE2 LYS 13 2HE LYS 13 -16.549 -25.768 -25.600 115 HE3 LYS 13 3HE LYS 13 -17.646 -24.950 -26.712 116 HZ1 LYS 13 1HZ LYS 13 -18.250 -27.278 -26.340 117 HZ2 LYS 13 2HZ LYS 13 -16.760 -27.773 -26.967 118 HZ3 LYS 13 3HZ LYS 13 -17.875 -26.982 -27.963 119 H GLY 14 H GLY 14 -12.414 -21.481 -27.466 120 HA2 GLY 14 2HA GLY 14 -11.489 -22.373 -24.848 121 HA3 GLY 14 3HA GLY 14 -10.307 -21.544 -25.850 122 H GLU 15 H GLU 15 -10.070 -19.748 -24.570 123 HA GLU 15 HA GLU 15 -11.999 -17.683 -24.898 124 HB2 GLU 15 2HB GLU 15 -12.322 -17.326 -22.396 125 HB3 GLU 15 3HB GLU 15 -13.219 -18.650 -23.126 126 HG2 GLU 15 2HG GLU 15 -11.565 -20.238 -22.298 127 HG3 GLU 15 3HG GLU 15 -10.654 -18.914 -21.575 128 H THR 16 H THR 16 -11.035 -15.736 -24.772 129 HA THR 16 HA THR 16 -8.389 -15.593 -23.481 130 HB THR 16 HB THR 16 -7.724 -13.972 -25.270 131 HG1 THR 16 HG1 THR 16 -8.991 -13.888 -27.139 132 HG21 THR 16 1HG2 THR 16 -8.240 -16.861 -25.725 133 HG22 THR 16 2HG2 THR 16 -6.715 -15.974 -25.692 134 HG23 THR 16 3HG2 THR 16 -7.753 -15.893 -27.116 135 H THR 17 H THR 17 -7.703 -13.259 -23.130 136 HA THR 17 HA THR 17 -10.035 -11.658 -22.296 137 HB THR 17 HB THR 17 -8.268 -10.709 -20.588 138 HG1 THR 17 HG1 THR 17 -6.613 -12.159 -21.533 139 HG21 THR 17 1HG2 THR 17 -10.428 -12.068 -20.208 140 HG22 THR 17 2HG2 THR 17 -9.221 -12.040 -18.922 141 HG23 THR 17 3HG2 THR 17 -9.347 -13.442 -19.982 142 H THR 18 H THR 18 -9.917 -9.419 -22.526 143 HA THR 18 HA THR 18 -7.658 -8.424 -24.136 144 HB THR 18 HB THR 18 -10.438 -7.331 -24.457 145 HG1 THR 18 HG1 THR 18 -10.463 -9.619 -24.902 146 HG21 THR 18 1HG2 THR 18 -7.857 -7.228 -25.962 147 HG22 THR 18 2HG2 THR 18 -8.950 -5.917 -25.520 148 HG23 THR 18 3HG2 THR 18 -9.378 -7.019 -26.829 149 H GLU 19 H GLU 19 -6.688 -6.640 -23.396 150 HA GLU 19 HA GLU 19 -8.040 -5.129 -21.257 151 HB2 GLU 19 2HB GLU 19 -5.904 -6.488 -20.732 152 HB3 GLU 19 3HB GLU 19 -5.058 -5.228 -21.619 153 HG2 GLU 19 2HG GLU 19 -4.876 -4.382 -19.527 154 HG3 GLU 19 3HG GLU 19 -6.418 -3.661 -19.984 155 H ALA 20 H ALA 20 -8.796 -3.286 -22.068 156 HA ALA 20 HA ALA 20 -6.968 -1.475 -23.404 157 HB1 ALA 20 1HB ALA 20 -8.779 -3.036 -24.918 158 HB2 ALA 20 2HB ALA 20 -9.359 -1.370 -24.940 159 HB3 ALA 20 3HB ALA 20 -7.719 -1.740 -25.473 160 H VAL 21 H VAL 21 -7.910 0.705 -23.663 161 HA VAL 21 HA VAL 21 -9.242 1.516 -21.297 162 HB VAL 21 HB VAL 21 -8.881 3.149 -23.810 163 HG11 VAL 21 1HG1 VAL 21 -9.647 3.741 -21.003 164 HG12 VAL 21 2HG1 VAL 21 -8.637 4.915 -21.850 165 HG13 VAL 21 3HG1 VAL 21 -10.211 4.466 -22.509 166 HG21 VAL 21 1HG2 VAL 21 -6.953 2.294 -21.726 167 HG22 VAL 21 2HG2 VAL 21 -6.696 2.624 -23.440 168 HG23 VAL 21 3HG2 VAL 21 -6.849 3.959 -22.298 169 H ASP 22 H ASP 22 -10.276 1.524 -24.708 170 HA ASP 22 HA ASP 22 -13.065 1.497 -23.759 171 HB2 ASP 22 2HB ASP 22 -13.551 2.646 -26.014 172 HB3 ASP 22 3HB ASP 22 -12.841 3.621 -24.730 173 H ALA 23 H ALA 23 -14.601 0.496 -25.272 174 HA ALA 23 HA ALA 23 -13.852 -2.083 -26.000 175 HB1 ALA 23 1HB ALA 23 -16.136 -1.703 -25.621 176 HB2 ALA 23 2HB ALA 23 -16.198 -0.381 -26.788 177 HB3 ALA 23 3HB ALA 23 -16.012 -2.044 -27.347 178 H ALA 24 H ALA 24 -14.275 0.794 -28.046 179 HA ALA 24 HA ALA 24 -13.827 -0.321 -30.530 180 HB1 ALA 24 1HB ALA 24 -14.460 2.070 -29.964 181 HB2 ALA 24 2HB ALA 24 -12.735 2.366 -29.744 182 HB3 ALA 24 3HB ALA 24 -13.348 1.846 -31.314 183 H THR 25 H THR 25 -11.482 0.625 -28.077 184 HA THR 25 HA THR 25 -9.137 0.484 -29.556 185 HB THR 25 HB THR 25 -9.495 -0.370 -26.677 186 HG1 THR 25 HG1 THR 25 -9.059 1.797 -26.209 187 HG21 THR 25 1HG2 THR 25 -7.349 -1.076 -27.444 188 HG22 THR 25 2HG2 THR 25 -7.102 0.401 -26.514 189 HG23 THR 25 3HG2 THR 25 -7.076 0.453 -28.276 190 H ALA 26 H ALA 26 -11.122 -2.079 -28.240 191 HA ALA 26 HA ALA 26 -9.180 -4.148 -28.714 192 HB1 ALA 26 1HB ALA 26 -11.120 -5.667 -28.200 193 HB2 ALA 26 2HB ALA 26 -10.691 -4.524 -26.927 194 HB3 ALA 26 3HB ALA 26 -12.090 -4.215 -27.954 195 H GLU 27 H GLU 27 -11.836 -2.700 -30.453 196 HA GLU 27 HA GLU 27 -12.217 -4.733 -32.376 197 HB2 GLU 27 2HB GLU 27 -12.879 -1.818 -32.230 198 HB3 GLU 27 3HB GLU 27 -13.061 -2.664 -33.761 199 HG2 GLU 27 2HG GLU 27 -15.107 -2.482 -32.265 200 HG3 GLU 27 3HG GLU 27 -14.721 -4.070 -32.926 201 H LYS 28 H LYS 28 -10.404 -1.671 -32.576 202 HA LYS 28 HA LYS 28 -9.352 -1.972 -35.114 203 HB2 LYS 28 2HB LYS 28 -8.321 -0.597 -32.649 204 HB3 LYS 28 3HB LYS 28 -7.382 -0.600 -34.135 205 HG2 LYS 28 2HG LYS 28 -9.292 0.434 -35.306 206 HG3 LYS 28 3HG LYS 28 -10.158 0.508 -33.770 207 HD2 LYS 28 2HD LYS 28 -7.946 1.732 -32.993 208 HD3 LYS 28 3HD LYS 28 -7.818 2.083 -34.718 209 HE2 LYS 28 2HE LYS 28 -9.845 3.268 -34.736 210 HE3 LYS 28 3HE LYS 28 -10.346 2.601 -33.182 211 HZ1 LYS 28 1HZ LYS 28 -8.061 4.459 -33.561 212 HZ2 LYS 28 2HZ LYS 28 -8.662 3.892 -32.086 213 HZ3 LYS 28 3HZ LYS 28 -9.601 4.925 -33.041 214 H VAL 29 H VAL 29 -8.421 -3.522 -32.140 215 HA VAL 29 HA VAL 29 -5.922 -4.528 -33.177 216 HB VAL 29 HB VAL 29 -7.424 -5.276 -30.665 217 HG11 VAL 29 1HG1 VAL 29 -4.823 -6.150 -31.820 218 HG12 VAL 29 2HG1 VAL 29 -4.957 -5.974 -30.069 219 HG13 VAL 29 3HG1 VAL 29 -6.032 -7.076 -30.930 220 HG21 VAL 29 1HG2 VAL 29 -6.593 -2.884 -30.924 221 HG22 VAL 29 2HG2 VAL 29 -6.050 -3.765 -29.495 222 HG23 VAL 29 3HG2 VAL 29 -4.965 -3.561 -30.869 223 H PHE 30 H PHE 30 -9.155 -5.809 -32.516 224 HA PHE 30 HA PHE 30 -8.643 -8.497 -33.100 225 HB2 PHE 30 2HB PHE 30 -11.070 -6.776 -33.013 226 HB3 PHE 30 3HB PHE 30 -11.208 -8.330 -33.829 227 HD1 PHE 30 HD1 PHE 30 -11.824 -6.781 -30.859 228 HD2 PHE 30 HD2 PHE 30 -9.900 -10.264 -32.369 229 HE1 PHE 30 HE1 PHE 30 -12.129 -7.888 -28.683 230 HE2 PHE 30 HE2 PHE 30 -10.202 -11.377 -30.196 231 HZ PHE 30 HZ PHE 30 -11.318 -10.190 -28.350 232 H LYS 31 H LYS 31 -9.993 -5.967 -35.217 233 HA LYS 31 HA LYS 31 -10.212 -7.441 -37.545 234 HB2 LYS 31 2HB LYS 31 -10.038 -5.284 -38.741 235 HB3 LYS 31 3HB LYS 31 -11.121 -5.200 -37.359 236 HG2 LYS 31 2HG LYS 31 -9.988 -3.297 -36.963 237 HG3 LYS 31 3HG LYS 31 -8.850 -4.400 -36.186 238 HD2 LYS 31 2HD LYS 31 -7.394 -3.278 -37.530 239 HD3 LYS 31 3HD LYS 31 -7.892 -4.538 -38.661 240 HE2 LYS 31 2HE LYS 31 -9.322 -3.092 -39.818 241 HE3 LYS 31 3HE LYS 31 -9.348 -1.920 -38.502 242 HZ1 LYS 31 1HZ LYS 31 -7.531 -2.141 -40.694 243 HZ2 LYS 31 2HZ LYS 31 -6.716 -2.087 -39.213 244 HZ3 LYS 31 3HZ LYS 31 -7.786 -0.846 -39.636 245 H GLN 32 H GLN 32 -7.374 -6.043 -36.065 246 HA GLN 32 HA GLN 32 -5.645 -6.217 -38.295 247 HB2 GLN 32 2HB GLN 32 -5.377 -5.026 -35.959 248 HB3 GLN 32 3HB GLN 32 -4.618 -6.547 -35.507 249 HG2 GLN 32 2HG GLN 32 -2.816 -5.294 -36.176 250 HG3 GLN 32 3HG GLN 32 -3.204 -6.185 -37.647 251 HE21 GLN 32 1HE2 GLN 32 -4.000 -5.103 -39.411 252 HE22 GLN 32 2HE2 GLN 32 -4.032 -3.379 -39.524 253 H TYR 33 H TYR 33 -6.313 -8.439 -35.614 254 HA TYR 33 HA TYR 33 -4.438 -10.408 -36.443 255 HB2 TYR 33 2HB TYR 33 -6.812 -10.504 -34.582 256 HB3 TYR 33 3HB TYR 33 -5.778 -11.898 -34.878 257 HD1 TYR 33 HD1 TYR 33 -3.105 -10.908 -34.855 258 HD2 TYR 33 HD2 TYR 33 -6.405 -9.655 -32.479 259 HE1 TYR 33 HE1 TYR 33 -1.549 -10.126 -33.117 260 HE2 TYR 33 HE2 TYR 33 -4.858 -8.867 -30.736 261 HH TYR 33 HH TYR 33 -2.467 -8.110 -30.601 262 H PHE 34 H PHE 34 -7.711 -9.669 -37.313 263 HA PHE 34 HA PHE 34 -8.653 -12.078 -38.271 264 HB2 PHE 34 2HB PHE 34 -9.912 -9.901 -38.165 265 HB3 PHE 34 3HB PHE 34 -9.074 -9.416 -39.635 266 HD1 PHE 34 HD1 PHE 34 -11.876 -11.131 -38.275 267 HD2 PHE 34 HD2 PHE 34 -9.350 -10.907 -41.694 268 HE1 PHE 34 HE1 PHE 34 -13.603 -12.254 -39.620 269 HE2 PHE 34 HE2 PHE 34 -11.073 -12.029 -43.044 270 HZ PHE 34 HZ PHE 34 -13.203 -12.704 -42.009 271 H ASN 35 H ASN 35 -6.368 -9.854 -39.738 272 HA ASN 35 HA ASN 35 -6.284 -11.316 -42.231 273 HB2 ASN 35 2HB ASN 35 -5.967 -8.861 -42.170 274 HB3 ASN 35 3HB ASN 35 -4.492 -9.090 -41.234 275 HD21 ASN 35 1HD2 ASN 35 -5.873 -8.960 -44.320 276 HD22 ASN 35 2HD2 ASN 35 -4.472 -9.397 -45.231 277 H ASP 36 H ASP 36 -4.077 -10.742 -39.502 278 HA ASP 36 HA ASP 36 -1.905 -12.220 -40.356 279 HB2 ASP 36 2HB ASP 36 -1.746 -10.878 -38.368 280 HB3 ASP 36 3HB ASP 36 -2.994 -11.826 -37.566 281 H ASN 37 H ASN 37 -4.767 -13.345 -38.583 282 HA ASN 37 HA ASN 37 -3.859 -16.103 -38.769 283 HB2 ASN 37 2HB ASN 37 -6.236 -14.794 -37.449 284 HB3 ASN 37 3HB ASN 37 -6.047 -16.543 -37.535 285 HD21 ASN 37 1HD2 ASN 37 -5.879 -14.276 -35.409 286 HD22 ASN 37 2HD2 ASN 37 -4.497 -14.738 -34.480 287 H GLY 38 H GLY 38 -5.914 -13.917 -40.439 288 HA2 GLY 38 2HA GLY 38 -7.203 -14.160 -42.322 289 HA3 GLY 38 3HA GLY 38 -6.368 -15.685 -42.580 290 H LEU 39 H LEU 39 -8.045 -15.286 -39.602 291 HA LEU 39 HA LEU 39 -9.780 -17.480 -40.194 292 HB2 LEU 39 2HB LEU 39 -8.739 -16.627 -37.925 293 HB3 LEU 39 3HB LEU 39 -10.237 -15.701 -37.850 294 HG LEU 39 HG LEU 39 -10.386 -17.780 -36.575 295 HD11 LEU 39 1HD1 LEU 39 -12.270 -16.739 -38.164 296 HD12 LEU 39 2HD1 LEU 39 -12.536 -18.161 -37.156 297 HD13 LEU 39 3HD1 LEU 39 -12.158 -18.353 -38.868 298 HD21 LEU 39 1HD2 LEU 39 -10.317 -19.371 -39.096 299 HD22 LEU 39 2HD2 LEU 39 -10.024 -19.881 -37.433 300 HD23 LEU 39 3HD2 LEU 39 -8.801 -18.949 -38.300 301 H ASP 40 H ASP 40 -11.836 -17.476 -40.870 302 HA ASP 40 HA ASP 40 -13.078 -14.883 -41.425 303 HB2 ASP 40 2HB ASP 40 -14.677 -16.342 -42.797 304 HB3 ASP 40 3HB ASP 40 -13.019 -16.202 -43.377 305 H GLY 41 H GLY 41 -13.731 -14.488 -39.241 306 HA2 GLY 41 2HA GLY 41 -16.138 -16.030 -38.504 307 HA3 GLY 41 3HA GLY 41 -14.938 -15.591 -37.298 308 H GLU 42 H GLU 42 -17.625 -14.881 -37.075 309 HA GLU 42 HA GLU 42 -17.609 -11.997 -37.658 310 HB2 GLU 42 2HB GLU 42 -19.957 -13.766 -36.952 311 HB3 GLU 42 3HB GLU 42 -20.034 -12.067 -37.397 312 HG2 GLU 42 2HG GLU 42 -18.920 -14.160 -39.234 313 HG3 GLU 42 3HG GLU 42 -20.635 -13.752 -39.185 314 H TRP 43 H TRP 43 -17.320 -10.630 -36.033 315 HA TRP 43 HA TRP 43 -17.405 -11.649 -33.297 316 HB2 TRP 43 2HB TRP 43 -16.002 -9.450 -34.688 317 HB3 TRP 43 3HB TRP 43 -16.507 -9.104 -33.036 318 HD1 TRP 43 HD1 TRP 43 -14.868 -9.844 -31.214 319 HE1 TRP 43 HE1 TRP 43 -12.859 -11.448 -31.084 320 HE3 TRP 43 HE3 TRP 43 -15.138 -11.863 -35.903 321 HZ2 TRP 43 HZ2 TRP 43 -11.560 -13.320 -32.750 322 HZ3 TRP 43 HZ3 TRP 43 -13.474 -13.553 -36.556 323 HH2 TRP 43 HH2 TRP 43 -11.723 -14.266 -35.011 324 H THR 44 H THR 44 -18.566 -10.625 -31.636 325 HA THR 44 HA THR 44 -20.451 -8.522 -32.337 326 HB THR 44 HB THR 44 -22.349 -9.847 -31.292 327 HG1 THR 44 HG1 THR 44 -20.456 -11.929 -31.712 328 HG21 THR 44 1HG2 THR 44 -22.092 -9.414 -33.738 329 HG22 THR 44 2HG2 THR 44 -22.953 -10.906 -33.363 330 HG23 THR 44 3HG2 THR 44 -21.268 -10.966 -33.877 331 H TYR 45 H TYR 45 -20.889 -7.203 -30.655 332 HA TYR 45 HA TYR 45 -19.504 -7.712 -28.160 333 HB2 TYR 45 2HB TYR 45 -20.014 -5.410 -27.613 334 HB3 TYR 45 3HB TYR 45 -19.412 -5.486 -29.265 335 HD1 TYR 45 HD1 TYR 45 -22.278 -4.744 -27.142 336 HD2 TYR 45 HD2 TYR 45 -20.935 -5.131 -31.160 337 HE1 TYR 45 HE1 TYR 45 -24.285 -3.554 -27.921 338 HE2 TYR 45 HE2 TYR 45 -22.937 -3.942 -31.951 339 HH TYR 45 HH TYR 45 -24.935 -2.177 -29.955 340 H ASP 46 H ASP 46 -20.412 -8.377 -26.323 341 HA ASP 46 HA ASP 46 -23.355 -8.403 -26.159 342 HB2 ASP 46 2HB ASP 46 -21.548 -10.395 -24.794 343 HB3 ASP 46 3HB ASP 46 -23.290 -10.493 -25.033 344 H ASP 47 H ASP 47 -23.198 -6.311 -25.138 345 HA ASP 47 HA ASP 47 -21.744 -5.762 -22.820 346 HB2 ASP 47 2HB ASP 47 -23.240 -4.244 -24.397 347 HB3 ASP 47 3HB ASP 47 -24.454 -4.559 -23.161 348 H ALA 48 H ALA 48 -24.572 -7.666 -23.290 349 HA ALA 48 HA ALA 48 -25.864 -7.540 -20.856 350 HB1 ALA 48 1HB ALA 48 -26.719 -8.818 -22.739 351 HB2 ALA 48 2HB ALA 48 -25.409 -9.986 -22.561 352 HB3 ALA 48 3HB ALA 48 -26.627 -9.828 -21.296 353 H THR 49 H THR 49 -22.852 -9.130 -21.670 354 HA THR 49 HA THR 49 -22.457 -9.717 -18.820 355 HB THR 49 HB THR 49 -23.060 -11.832 -19.915 356 HG1 THR 49 HG1 THR 49 -21.502 -11.864 -18.222 357 HG21 THR 49 1HG2 THR 49 -20.816 -12.474 -21.434 358 HG22 THR 49 2HG2 THR 49 -21.247 -10.841 -21.945 359 HG23 THR 49 3HG2 THR 49 -22.438 -12.138 -22.038 360 H LYS 50 H LYS 50 -21.499 -7.743 -21.005 361 HA LYS 50 HA LYS 50 -19.579 -6.671 -21.604 362 HB2 LYS 50 2HB LYS 50 -18.643 -7.751 -18.939 363 HB3 LYS 50 3HB LYS 50 -17.901 -6.426 -19.825 364 HG2 LYS 50 2HG LYS 50 -20.729 -6.409 -18.791 365 HG3 LYS 50 3HG LYS 50 -19.347 -5.697 -17.954 366 HD2 LYS 50 2HD LYS 50 -18.957 -4.228 -19.892 367 HD3 LYS 50 3HD LYS 50 -20.377 -4.917 -20.682 368 HE2 LYS 50 2HE LYS 50 -21.841 -3.983 -19.099 369 HE3 LYS 50 3HE LYS 50 -20.533 -3.642 -17.967 370 HZ1 LYS 50 1HZ LYS 50 -19.701 -1.957 -19.460 371 HZ2 LYS 50 2HZ LYS 50 -21.323 -1.643 -19.097 372 HZ3 LYS 50 3HZ LYS 50 -20.905 -2.309 -20.595 373 H THR 51 H THR 51 -19.757 -9.038 -22.893 374 HA THR 51 HA THR 51 -16.947 -9.818 -23.106 375 HB THR 51 HB THR 51 -19.176 -11.859 -23.002 376 HG1 THR 51 HG1 THR 51 -18.407 -12.362 -20.978 377 HG21 THR 51 1HG2 THR 51 -16.176 -12.152 -23.212 378 HG22 THR 51 2HG2 THR 51 -17.361 -12.537 -24.462 379 HG23 THR 51 3HG2 THR 51 -17.310 -13.482 -22.974 380 H PHE 52 H PHE 52 -16.323 -10.541 -25.156 381 HA PHE 52 HA PHE 52 -18.168 -9.770 -27.289 382 HB2 PHE 52 2HB PHE 52 -15.244 -10.467 -27.572 383 HB3 PHE 52 3HB PHE 52 -16.255 -9.579 -28.707 384 HD1 PHE 52 HD1 PHE 52 -13.888 -9.308 -26.117 385 HD2 PHE 52 HD2 PHE 52 -17.270 -7.353 -27.807 386 HE1 PHE 52 HE1 PHE 52 -13.177 -7.192 -25.084 387 HE2 PHE 52 HE2 PHE 52 -16.564 -5.233 -26.777 388 HZ PHE 52 HZ PHE 52 -14.514 -5.151 -25.414 389 H THR 53 H THR 53 -19.308 -11.283 -28.280 390 HA THR 53 HA THR 53 -18.443 -14.070 -28.146 391 HB THR 53 HB THR 53 -21.059 -12.916 -29.134 392 HG1 THR 53 HG1 THR 53 -21.842 -13.611 -27.115 393 HG21 THR 53 1HG2 THR 53 -21.840 -15.284 -28.838 394 HG22 THR 53 2HG2 THR 53 -20.150 -15.750 -28.640 395 HG23 THR 53 3HG2 THR 53 -20.700 -15.045 -30.161 396 H VAL 54 H VAL 54 -17.806 -15.242 -29.869 397 HA VAL 54 HA VAL 54 -17.855 -13.916 -32.504 398 HB VAL 54 HB VAL 54 -15.761 -15.867 -31.547 399 HG11 VAL 54 1HG1 VAL 54 -15.723 -16.002 -33.848 400 HG12 VAL 54 2HG1 VAL 54 -16.204 -14.318 -34.062 401 HG13 VAL 54 3HG1 VAL 54 -14.561 -14.710 -33.553 402 HG21 VAL 54 1HG2 VAL 54 -15.526 -13.884 -30.231 403 HG22 VAL 54 2HG2 VAL 54 -14.270 -13.864 -31.469 404 HG23 VAL 54 3HG2 VAL 54 -15.706 -12.856 -31.652 405 H THR 55 H THR 55 -19.475 -14.876 -33.579 406 HA THR 55 HA THR 55 -19.656 -17.813 -33.500 407 HB THR 55 HB THR 55 -21.955 -17.197 -34.687 408 HG1 THR 55 HG1 THR 55 -22.762 -15.238 -33.886 409 HG21 THR 55 1HG2 THR 55 -21.379 -18.279 -32.372 410 HG22 THR 55 2HG2 THR 55 -23.003 -17.665 -32.683 411 HG23 THR 55 3HG2 THR 55 -21.862 -16.705 -31.740 412 H GLU 56 H GLU 56 -18.392 -18.554 -35.115 413 HA GLU 56 HA GLU 56 -17.998 -17.229 -37.586 414 HB2 GLU 56 2HB GLU 56 -16.923 -19.329 -38.304 415 HB3 GLU 56 3HB GLU 56 -16.353 -18.796 -36.728 416 HG2 GLU 56 2HG GLU 56 -17.940 -20.402 -35.684 417 HG3 GLU 56 3HG GLU 56 -18.313 -21.004 -37.299 Start of MODEL 4 1 H1 MET 1 H MET 1 -10.521 -0.653 -19.750 2 HA MET 1 HA MET 1 -11.391 -1.456 -17.073 3 HB2 MET 1 2HB MET 1 -13.642 -1.988 -17.878 4 HB3 MET 1 3HB MET 1 -13.294 -0.274 -18.060 5 HG2 MET 1 2HG MET 1 -12.764 -2.062 -20.367 6 HG3 MET 1 3HG MET 1 -14.438 -1.679 -19.972 7 HE1 MET 1 1HE MET 1 -15.503 0.240 -19.964 8 HE2 MET 1 2HE MET 1 -14.691 1.765 -19.611 9 HE3 MET 1 3HE MET 1 -15.250 1.422 -21.249 10 H THR 2 H THR 2 -12.179 -3.734 -17.041 11 HA THR 2 HA THR 2 -10.425 -5.365 -18.697 12 HB THR 2 HB THR 2 -12.181 -6.190 -16.377 13 HG1 THR 2 HG1 THR 2 -9.439 -5.450 -16.546 14 HG21 THR 2 1HG2 THR 2 -9.895 -7.862 -16.860 15 HG22 THR 2 2HG2 THR 2 -10.875 -7.745 -18.322 16 HG23 THR 2 3HG2 THR 2 -11.603 -8.297 -16.814 17 H PHE 3 H PHE 3 -11.096 -6.460 -20.417 18 HA PHE 3 HA PHE 3 -13.976 -7.024 -20.685 19 HB2 PHE 3 2HB PHE 3 -12.021 -5.925 -22.669 20 HB3 PHE 3 3HB PHE 3 -13.368 -6.905 -23.239 21 HD1 PHE 3 HD1 PHE 3 -15.640 -6.157 -21.783 22 HD2 PHE 3 HD2 PHE 3 -12.389 -3.694 -22.998 23 HE1 PHE 3 HE1 PHE 3 -17.109 -4.185 -21.704 24 HE2 PHE 3 HE2 PHE 3 -13.851 -1.718 -22.919 25 HZ PHE 3 HZ PHE 3 -16.215 -1.961 -22.271 26 H LYS 4 H LYS 4 -14.529 -8.915 -21.918 27 HA LYS 4 HA LYS 4 -12.372 -10.923 -21.990 28 HB2 LYS 4 2HB LYS 4 -14.262 -11.113 -20.203 29 HB3 LYS 4 3HB LYS 4 -15.249 -11.657 -21.554 30 HG2 LYS 4 2HG LYS 4 -13.777 -13.511 -21.955 31 HG3 LYS 4 3HG LYS 4 -12.644 -12.923 -20.735 32 HD2 LYS 4 2HD LYS 4 -15.497 -13.689 -20.137 33 HD3 LYS 4 3HD LYS 4 -14.133 -14.800 -19.985 34 HE2 LYS 4 2HE LYS 4 -13.083 -13.099 -18.443 35 HE3 LYS 4 3HE LYS 4 -14.632 -12.256 -18.453 36 HZ1 LYS 4 1HZ LYS 4 -14.609 -15.114 -17.812 37 HZ2 LYS 4 2HZ LYS 4 -15.637 -13.893 -17.253 38 HZ3 LYS 4 3HZ LYS 4 -14.070 -14.029 -16.632 39 H ALA 5 H ALA 5 -12.575 -12.592 -23.592 40 HA ALA 5 HA ALA 5 -14.410 -11.990 -25.804 41 HB1 ALA 5 1HB ALA 5 -12.810 -11.515 -27.282 42 HB2 ALA 5 2HB ALA 5 -11.742 -11.310 -25.893 43 HB3 ALA 5 3HB ALA 5 -11.798 -12.855 -26.742 44 H ILE 6 H ILE 6 -15.524 -13.748 -26.309 45 HA ILE 6 HA ILE 6 -14.299 -16.383 -25.816 46 HB ILE 6 HB ILE 6 -16.282 -15.878 -24.403 47 HG12 ILE 6 2HG1 ILE 6 -17.575 -17.990 -25.130 48 HG13 ILE 6 3HG1 ILE 6 -16.370 -18.124 -26.406 49 HG21 ILE 6 1HG2 ILE 6 -17.414 -14.514 -26.206 50 HG22 ILE 6 2HG2 ILE 6 -17.895 -16.045 -26.935 51 HG23 ILE 6 3HG2 ILE 6 -18.450 -15.627 -25.313 52 HD11 ILE 6 1HD1 ILE 6 -15.301 -17.758 -23.695 53 HD12 ILE 6 2HD1 ILE 6 -16.144 -19.278 -23.991 54 HD13 ILE 6 3HD1 ILE 6 -14.770 -18.821 -24.997 55 H ILE 7 H ILE 7 -14.226 -17.845 -27.435 56 HA ILE 7 HA ILE 7 -15.395 -17.038 -30.018 57 HB ILE 7 HB ILE 7 -12.956 -18.761 -29.570 58 HG12 ILE 7 2HG1 ILE 7 -13.134 -15.915 -30.580 59 HG13 ILE 7 3HG1 ILE 7 -12.621 -16.372 -28.960 60 HG21 ILE 7 1HG2 ILE 7 -12.642 -18.429 -32.018 61 HG22 ILE 7 2HG2 ILE 7 -14.067 -19.378 -31.599 62 HG23 ILE 7 3HG2 ILE 7 -14.242 -17.689 -32.075 63 HD11 ILE 7 1HD1 ILE 7 -10.554 -16.433 -29.744 64 HD12 ILE 7 2HD1 ILE 7 -11.014 -17.868 -30.659 65 HD13 ILE 7 3HD1 ILE 7 -11.114 -16.275 -31.408 66 H ASN 8 H ASN 8 -16.606 -18.477 -31.152 67 HA ASN 8 HA ASN 8 -17.176 -21.036 -29.820 68 HB2 ASN 8 2HB ASN 8 -18.877 -19.447 -31.754 69 HB3 ASN 8 3HB ASN 8 -19.335 -20.980 -31.020 70 HD21 ASN 8 1HD2 ASN 8 -19.232 -20.984 -28.583 71 HD22 ASN 8 2HD2 ASN 8 -19.845 -19.582 -27.781 72 H GLY 9 H GLY 9 -15.226 -21.899 -30.872 73 HA2 GLY 9 2HA GLY 9 -14.959 -22.074 -33.675 74 HA3 GLY 9 3HA GLY 9 -14.180 -23.128 -32.504 75 H LYS 10 H LYS 10 -14.643 -24.573 -34.471 76 HA LYS 10 HA LYS 10 -17.378 -25.591 -34.509 77 HB2 LYS 10 2HB LYS 10 -14.980 -26.396 -36.168 78 HB3 LYS 10 3HB LYS 10 -16.634 -26.940 -36.417 79 HG2 LYS 10 2HG LYS 10 -15.837 -24.046 -36.542 80 HG3 LYS 10 3HG LYS 10 -15.816 -25.115 -37.947 81 HD2 LYS 10 2HD LYS 10 -18.239 -24.610 -36.224 82 HD3 LYS 10 3HD LYS 10 -17.898 -23.767 -37.736 83 HE2 LYS 10 2HE LYS 10 -17.787 -26.062 -38.816 84 HE3 LYS 10 3HE LYS 10 -18.480 -26.689 -37.322 85 HZ1 LYS 10 1HZ LYS 10 -19.705 -24.945 -39.347 86 HZ2 LYS 10 2HZ LYS 10 -20.249 -24.862 -37.747 87 HZ3 LYS 10 3HZ LYS 10 -20.337 -26.324 -38.595 88 H THR 11 H THR 11 -14.080 -26.747 -33.881 89 HA THR 11 HA THR 11 -15.255 -29.009 -32.397 90 HB THR 11 HB THR 11 -13.084 -30.223 -32.931 91 HG1 THR 11 HG1 THR 11 -12.926 -28.095 -34.823 92 HG21 THR 11 1HG2 THR 11 -14.064 -30.153 -35.564 93 HG22 THR 11 2HG2 THR 11 -15.448 -29.835 -34.519 94 HG23 THR 11 3HG2 THR 11 -14.487 -31.296 -34.290 95 H LEU 12 H LEU 12 -12.483 -26.813 -32.657 96 HA LEU 12 HA LEU 12 -11.780 -27.400 -29.871 97 HB2 LEU 12 2HB LEU 12 -10.309 -26.415 -32.237 98 HB3 LEU 12 3HB LEU 12 -9.831 -25.738 -30.681 99 HG LEU 12 HG LEU 12 -8.410 -27.613 -31.295 100 HD11 LEU 12 1HD1 LEU 12 -10.021 -27.490 -28.891 101 HD12 LEU 12 2HD1 LEU 12 -8.297 -27.803 -29.082 102 HD13 LEU 12 3HD1 LEU 12 -9.455 -29.126 -29.228 103 HD21 LEU 12 1HD2 LEU 12 -9.364 -29.895 -31.379 104 HD22 LEU 12 2HD2 LEU 12 -9.914 -28.866 -32.701 105 HD23 LEU 12 3HD2 LEU 12 -10.980 -29.191 -31.333 106 H LYS 13 H LYS 13 -12.821 -26.155 -28.459 107 HA LYS 13 HA LYS 13 -13.547 -23.423 -29.154 108 HB2 LYS 13 2HB LYS 13 -15.235 -24.791 -28.060 109 HB3 LYS 13 3HB LYS 13 -14.150 -25.099 -26.710 110 HG2 LYS 13 2HG LYS 13 -14.445 -22.274 -27.092 111 HG3 LYS 13 3HG LYS 13 -16.031 -23.040 -26.970 112 HD2 LYS 13 2HD LYS 13 -15.700 -23.694 -24.814 113 HD3 LYS 13 3HD LYS 13 -13.958 -23.888 -25.026 114 HE2 LYS 13 2HE LYS 13 -14.413 -21.169 -25.383 115 HE3 LYS 13 3HE LYS 13 -15.463 -21.621 -24.041 116 HZ1 LYS 13 1HZ LYS 13 -13.199 -22.869 -23.376 117 HZ2 LYS 13 2HZ LYS 13 -13.607 -21.316 -22.845 118 HZ3 LYS 13 3HZ LYS 13 -12.573 -21.514 -24.170 119 H GLY 14 H GLY 14 -12.661 -21.613 -28.288 120 HA2 GLY 14 2HA GLY 14 -10.594 -21.970 -26.214 121 HA3 GLY 14 3HA GLY 14 -10.263 -21.024 -27.658 122 H GLU 15 H GLU 15 -9.794 -19.611 -25.580 123 HA GLU 15 HA GLU 15 -11.809 -17.583 -25.577 124 HB2 GLU 15 2HB GLU 15 -12.287 -17.587 -23.183 125 HB3 GLU 15 3HB GLU 15 -12.789 -19.102 -23.920 126 HG2 GLU 15 2HG GLU 15 -11.780 -19.844 -22.005 127 HG3 GLU 15 3HG GLU 15 -10.446 -19.935 -23.153 128 H THR 16 H THR 16 -11.055 -15.610 -24.801 129 HA THR 16 HA THR 16 -8.442 -15.478 -23.538 130 HB THR 16 HB THR 16 -7.958 -15.559 -25.982 131 HG1 THR 16 HG1 THR 16 -6.400 -14.482 -24.926 132 HG21 THR 16 1HG2 THR 16 -9.331 -12.872 -26.077 133 HG22 THR 16 2HG2 THR 16 -10.045 -14.369 -26.678 134 HG23 THR 16 3HG2 THR 16 -8.575 -13.735 -27.416 135 H THR 17 H THR 17 -7.853 -13.222 -22.964 136 HA THR 17 HA THR 17 -10.278 -11.624 -22.458 137 HB THR 17 HB THR 17 -8.711 -10.644 -20.577 138 HG1 THR 17 HG1 THR 17 -6.888 -11.913 -21.155 139 HG21 THR 17 1HG2 THR 17 -10.753 -11.636 -19.955 140 HG22 THR 17 2HG2 THR 17 -9.529 -12.533 -19.057 141 HG23 THR 17 3HG2 THR 17 -10.244 -13.230 -20.510 142 H THR 18 H THR 18 -10.006 -9.299 -22.373 143 HA THR 18 HA THR 18 -7.642 -8.262 -23.761 144 HB THR 18 HB THR 18 -10.302 -7.192 -24.596 145 HG1 THR 18 HG1 THR 18 -10.767 -9.191 -25.216 146 HG21 THR 18 1HG2 THR 18 -9.081 -6.809 -26.703 147 HG22 THR 18 2HG2 THR 18 -7.653 -7.570 -26.000 148 HG23 THR 18 3HG2 THR 18 -8.272 -6.063 -25.326 149 H GLU 19 H GLU 19 -6.978 -6.300 -23.059 150 HA GLU 19 HA GLU 19 -8.766 -4.808 -21.261 151 HB2 GLU 19 2HB GLU 19 -7.104 -6.064 -19.940 152 HB3 GLU 19 3HB GLU 19 -5.810 -5.281 -20.838 153 HG2 GLU 19 2HG GLU 19 -6.270 -3.186 -19.881 154 HG3 GLU 19 3HG GLU 19 -7.834 -3.719 -19.270 155 H ALA 20 H ALA 20 -9.190 -2.924 -22.190 156 HA ALA 20 HA ALA 20 -6.974 -1.338 -23.250 157 HB1 ALA 20 1HB ALA 20 -9.202 -0.912 -24.967 158 HB2 ALA 20 2HB ALA 20 -7.592 -1.508 -25.373 159 HB3 ALA 20 3HB ALA 20 -8.860 -2.642 -24.908 160 H VAL 21 H VAL 21 -8.013 0.909 -23.986 161 HA VAL 21 HA VAL 21 -9.193 1.986 -21.587 162 HB VAL 21 HB VAL 21 -8.527 3.377 -24.186 163 HG11 VAL 21 1HG1 VAL 21 -9.412 4.359 -21.496 164 HG12 VAL 21 2HG1 VAL 21 -8.450 5.380 -22.566 165 HG13 VAL 21 3HG1 VAL 21 -10.025 4.786 -23.094 166 HG21 VAL 21 1HG2 VAL 21 -6.418 2.945 -23.557 167 HG22 VAL 21 2HG2 VAL 21 -6.686 4.206 -22.352 168 HG23 VAL 21 3HG2 VAL 21 -6.892 2.510 -21.915 169 H ASP 22 H ASP 22 -10.146 1.741 -25.004 170 HA ASP 22 HA ASP 22 -12.946 2.054 -24.148 171 HB2 ASP 22 2HB ASP 22 -11.633 3.237 -26.602 172 HB3 ASP 22 3HB ASP 22 -13.372 3.215 -26.324 173 H ALA 23 H ALA 23 -14.513 1.136 -25.711 174 HA ALA 23 HA ALA 23 -13.926 -1.538 -26.294 175 HB1 ALA 23 1HB ALA 23 -16.144 -1.555 -26.338 176 HB2 ALA 23 2HB ALA 23 -16.195 0.203 -26.479 177 HB3 ALA 23 3HB ALA 23 -16.083 -0.795 -27.928 178 H ALA 24 H ALA 24 -13.871 1.347 -28.317 179 HA ALA 24 HA ALA 24 -13.553 0.065 -30.803 180 HB1 ALA 24 1HB ALA 24 -13.113 2.163 -31.689 181 HB2 ALA 24 2HB ALA 24 -14.085 2.536 -30.265 182 HB3 ALA 24 3HB ALA 24 -12.334 2.734 -30.213 183 H THR 25 H THR 25 -11.247 1.034 -28.330 184 HA THR 25 HA THR 25 -8.874 0.749 -29.767 185 HB THR 25 HB THR 25 -9.289 0.110 -26.840 186 HG1 THR 25 HG1 THR 25 -8.614 2.573 -28.112 187 HG21 THR 25 1HG2 THR 25 -7.137 -0.664 -27.690 188 HG22 THR 25 2HG2 THR 25 -6.918 0.726 -26.627 189 HG23 THR 25 3HG2 THR 25 -6.821 0.929 -28.376 190 H ALA 26 H ALA 26 -10.902 -1.653 -28.193 191 HA ALA 26 HA ALA 26 -9.019 -3.797 -28.579 192 HB1 ALA 26 1HB ALA 26 -11.919 -3.836 -27.755 193 HB2 ALA 26 2HB ALA 26 -10.844 -5.235 -27.756 194 HB3 ALA 26 3HB ALA 26 -10.518 -3.873 -26.684 195 H GLU 27 H GLU 27 -11.652 -2.383 -30.345 196 HA GLU 27 HA GLU 27 -12.076 -4.618 -32.090 197 HB2 GLU 27 2HB GLU 27 -13.047 -1.803 -31.946 198 HB3 GLU 27 3HB GLU 27 -13.192 -2.651 -33.478 199 HG2 GLU 27 2HG GLU 27 -14.392 -4.473 -32.256 200 HG3 GLU 27 3HG GLU 27 -14.396 -3.428 -30.836 201 H LYS 28 H LYS 28 -10.160 -1.676 -32.170 202 HA LYS 28 HA LYS 28 -9.428 -1.737 -34.881 203 HB2 LYS 28 2HB LYS 28 -8.228 -0.522 -32.418 204 HB3 LYS 28 3HB LYS 28 -7.336 -0.481 -33.933 205 HG2 LYS 28 2HG LYS 28 -9.456 0.544 -34.935 206 HG3 LYS 28 3HG LYS 28 -9.954 0.811 -33.263 207 HD2 LYS 28 2HD LYS 28 -8.011 2.162 -32.842 208 HD3 LYS 28 3HD LYS 28 -7.343 1.772 -34.429 209 HE2 LYS 28 2HE LYS 28 -10.024 3.079 -34.197 210 HE3 LYS 28 3HE LYS 28 -8.554 4.043 -34.063 211 HZ1 LYS 28 1HZ LYS 28 -9.165 2.257 -36.355 212 HZ2 LYS 28 2HZ LYS 28 -7.884 3.356 -36.233 213 HZ3 LYS 28 3HZ LYS 28 -9.475 3.921 -36.341 214 H VAL 29 H VAL 29 -8.265 -3.497 -32.110 215 HA VAL 29 HA VAL 29 -5.851 -4.420 -33.363 216 HB VAL 29 HB VAL 29 -7.279 -5.478 -30.919 217 HG11 VAL 29 1HG1 VAL 29 -4.757 -6.182 -30.503 218 HG12 VAL 29 2HG1 VAL 29 -5.878 -7.214 -31.394 219 HG13 VAL 29 3HG1 VAL 29 -4.731 -6.194 -32.265 220 HG21 VAL 29 1HG2 VAL 29 -6.009 -3.035 -31.273 221 HG22 VAL 29 2HG2 VAL 29 -6.395 -3.809 -29.737 222 HG23 VAL 29 3HG2 VAL 29 -4.807 -4.043 -30.467 223 H PHE 30 H PHE 30 -9.049 -5.805 -32.703 224 HA PHE 30 HA PHE 30 -8.621 -8.394 -33.586 225 HB2 PHE 30 2HB PHE 30 -11.027 -6.617 -33.495 226 HB3 PHE 30 3HB PHE 30 -11.143 -8.174 -34.308 227 HD1 PHE 30 HD1 PHE 30 -11.801 -6.592 -31.349 228 HD2 PHE 30 HD2 PHE 30 -9.927 -10.121 -32.817 229 HE1 PHE 30 HE1 PHE 30 -12.173 -7.688 -29.177 230 HE2 PHE 30 HE2 PHE 30 -10.296 -11.223 -30.648 231 HZ PHE 30 HZ PHE 30 -11.421 -10.007 -28.825 232 H LYS 31 H LYS 31 -9.006 -5.460 -35.415 233 HA LYS 31 HA LYS 31 -9.726 -6.434 -37.908 234 HB2 LYS 31 2HB LYS 31 -7.740 -4.209 -37.424 235 HB3 LYS 31 3HB LYS 31 -8.767 -4.427 -38.835 236 HG2 LYS 31 2HG LYS 31 -10.695 -4.268 -37.064 237 HG3 LYS 31 3HG LYS 31 -9.459 -3.434 -36.119 238 HD2 LYS 31 2HD LYS 31 -9.222 -1.736 -37.733 239 HD3 LYS 31 3HD LYS 31 -10.072 -2.674 -38.963 240 HE2 LYS 31 2HE LYS 31 -11.371 -1.693 -36.429 241 HE3 LYS 31 3HE LYS 31 -11.380 -0.782 -37.938 242 HZ1 LYS 31 1HZ LYS 31 -13.375 -2.244 -37.457 243 HZ2 LYS 31 2HZ LYS 31 -12.371 -3.564 -37.792 244 HZ3 LYS 31 3HZ LYS 31 -12.669 -2.404 -38.987 245 H GLN 32 H GLN 32 -6.524 -6.254 -36.415 246 HA GLN 32 HA GLN 32 -5.192 -7.307 -38.736 247 HB2 GLN 32 2HB GLN 32 -4.071 -5.764 -37.163 248 HB3 GLN 32 3HB GLN 32 -4.178 -6.989 -35.906 249 HG2 GLN 32 2HG GLN 32 -2.690 -8.431 -37.075 250 HG3 GLN 32 3HG GLN 32 -2.729 -7.402 -38.506 251 HE21 GLN 32 1HE2 GLN 32 -0.346 -8.122 -37.411 252 HE22 GLN 32 2HE2 GLN 32 0.405 -6.753 -36.673 253 H TYR 33 H TYR 33 -6.592 -8.581 -35.816 254 HA TYR 33 HA TYR 33 -5.308 -11.061 -35.691 255 HB2 TYR 33 2HB TYR 33 -7.908 -9.980 -34.712 256 HB3 TYR 33 3HB TYR 33 -7.683 -11.726 -34.694 257 HD1 TYR 33 HD1 TYR 33 -7.447 -12.270 -32.440 258 HD2 TYR 33 HD2 TYR 33 -5.204 -9.026 -34.034 259 HE1 TYR 33 HE1 TYR 33 -6.211 -12.092 -30.321 260 HE2 TYR 33 HE2 TYR 33 -3.961 -8.839 -31.920 261 HH TYR 33 HH TYR 33 -4.496 -11.123 -29.266 262 H PHE 34 H PHE 34 -7.786 -9.877 -37.808 263 HA PHE 34 HA PHE 34 -8.995 -12.214 -38.669 264 HB2 PHE 34 2HB PHE 34 -8.431 -9.578 -39.966 265 HB3 PHE 34 3HB PHE 34 -9.065 -10.891 -40.951 266 HD1 PHE 34 HD1 PHE 34 -10.052 -8.068 -39.405 267 HD2 PHE 34 HD2 PHE 34 -11.029 -12.210 -39.451 268 HE1 PHE 34 HE1 PHE 34 -12.328 -7.536 -38.638 269 HE2 PHE 34 HE2 PHE 34 -13.307 -11.684 -38.684 270 HZ PHE 34 HZ PHE 34 -13.959 -9.345 -38.278 271 H ASN 35 H ASN 35 -5.877 -10.855 -39.550 272 HA ASN 35 HA ASN 35 -5.407 -12.837 -41.601 273 HB2 ASN 35 2HB ASN 35 -3.817 -10.557 -40.462 274 HB3 ASN 35 3HB ASN 35 -3.040 -11.761 -41.485 275 HD21 ASN 35 1HD2 ASN 35 -6.241 -10.246 -41.609 276 HD22 ASN 35 2HD2 ASN 35 -6.072 -9.622 -43.212 277 H ASP 36 H ASP 36 -4.311 -12.172 -38.309 278 HA ASP 36 HA ASP 36 -2.361 -14.189 -38.148 279 HB2 ASP 36 2HB ASP 36 -2.355 -12.498 -36.474 280 HB3 ASP 36 3HB ASP 36 -4.032 -12.818 -36.044 281 H ASN 37 H ASN 37 -5.827 -14.280 -37.910 282 HA ASN 37 HA ASN 37 -5.766 -17.049 -36.958 283 HB2 ASN 37 2HB ASN 37 -7.339 -15.149 -36.060 284 HB3 ASN 37 3HB ASN 37 -8.300 -15.538 -37.484 285 HD21 ASN 37 1HD2 ASN 37 -6.752 -17.018 -34.672 286 HD22 ASN 37 2HD2 ASN 37 -7.942 -18.251 -34.446 287 H GLY 38 H GLY 38 -6.215 -15.175 -39.800 288 HA2 GLY 38 2HA GLY 38 -6.612 -15.771 -41.981 289 HA3 GLY 38 3HA GLY 38 -6.228 -17.418 -41.501 290 H LEU 39 H LEU 39 -8.795 -15.848 -39.833 291 HA LEU 39 HA LEU 39 -10.756 -17.344 -41.445 292 HB2 LEU 39 2HB LEU 39 -10.411 -17.127 -38.491 293 HB3 LEU 39 3HB LEU 39 -12.032 -17.327 -39.151 294 HG LEU 39 HG LEU 39 -9.728 -19.232 -39.568 295 HD11 LEU 39 1HD1 LEU 39 -11.439 -20.683 -38.198 296 HD12 LEU 39 2HD1 LEU 39 -11.943 -19.107 -37.586 297 HD13 LEU 39 3HD1 LEU 39 -10.272 -19.638 -37.386 298 HD21 LEU 39 1HD2 LEU 39 -11.086 -19.483 -41.439 299 HD22 LEU 39 2HD2 LEU 39 -12.566 -19.173 -40.529 300 HD23 LEU 39 3HD2 LEU 39 -11.706 -20.700 -40.322 301 H ASP 40 H ASP 40 -13.001 -16.498 -41.238 302 HA ASP 40 HA ASP 40 -12.999 -13.568 -40.911 303 HB2 ASP 40 2HB ASP 40 -14.598 -13.412 -42.745 304 HB3 ASP 40 3HB ASP 40 -13.137 -14.236 -43.285 305 H GLY 41 H GLY 41 -13.587 -15.160 -38.758 306 HA2 GLY 41 2HA GLY 41 -16.287 -15.882 -38.461 307 HA3 GLY 41 3HA GLY 41 -15.180 -15.512 -37.146 308 H GLU 42 H GLU 42 -17.902 -14.864 -37.083 309 HA GLU 42 HA GLU 42 -17.974 -11.970 -37.549 310 HB2 GLU 42 2HB GLU 42 -20.276 -13.711 -36.677 311 HB3 GLU 42 3HB GLU 42 -20.345 -12.103 -37.387 312 HG2 GLU 42 2HG GLU 42 -19.584 -12.962 -39.508 313 HG3 GLU 42 3HG GLU 42 -19.378 -14.569 -38.815 314 H TRP 43 H TRP 43 -17.600 -10.632 -35.921 315 HA TRP 43 HA TRP 43 -17.578 -11.653 -33.195 316 HB2 TRP 43 2HB TRP 43 -16.374 -9.346 -34.611 317 HB3 TRP 43 3HB TRP 43 -16.801 -9.083 -32.923 318 HD1 TRP 43 HD1 TRP 43 -15.023 -9.783 -31.219 319 HE1 TRP 43 HE1 TRP 43 -12.917 -11.263 -31.258 320 HE3 TRP 43 HE3 TRP 43 -15.436 -11.656 -35.957 321 HZ2 TRP 43 HZ2 TRP 43 -11.605 -12.996 -33.060 322 HZ3 TRP 43 HZ3 TRP 43 -13.714 -13.219 -36.763 323 HH2 TRP 43 HH2 TRP 43 -11.839 -13.873 -35.343 324 H THR 44 H THR 44 -18.721 -10.695 -31.479 325 HA THR 44 HA THR 44 -20.749 -8.702 -32.092 326 HB THR 44 HB THR 44 -22.530 -10.134 -30.987 327 HG1 THR 44 HG1 THR 44 -22.151 -12.383 -31.033 328 HG21 THR 44 1HG2 THR 44 -23.205 -11.115 -33.028 329 HG22 THR 44 2HG2 THR 44 -21.541 -11.296 -33.583 330 HG23 THR 44 3HG2 THR 44 -22.268 -9.693 -33.480 331 H TYR 45 H TYR 45 -21.221 -7.431 -30.378 332 HA TYR 45 HA TYR 45 -19.697 -7.857 -27.949 333 HB2 TYR 45 2HB TYR 45 -20.343 -5.600 -27.360 334 HB3 TYR 45 3HB TYR 45 -19.804 -5.624 -29.036 335 HD1 TYR 45 HD1 TYR 45 -21.421 -5.358 -30.865 336 HD2 TYR 45 HD2 TYR 45 -22.626 -5.095 -26.792 337 HE1 TYR 45 HE1 TYR 45 -23.532 -4.307 -31.563 338 HE2 TYR 45 HE2 TYR 45 -24.740 -4.043 -27.480 339 HH TYR 45 HH TYR 45 -25.957 -3.289 -29.172 340 H ASP 46 H ASP 46 -20.477 -8.597 -26.083 341 HA ASP 46 HA ASP 46 -23.400 -8.862 -25.811 342 HB2 ASP 46 2HB ASP 46 -21.382 -10.648 -24.458 343 HB3 ASP 46 3HB ASP 46 -23.111 -10.916 -24.661 344 H ASP 47 H ASP 47 -23.387 -6.733 -24.842 345 HA ASP 47 HA ASP 47 -21.930 -5.996 -22.586 346 HB2 ASP 47 2HB ASP 47 -23.595 -4.651 -24.124 347 HB3 ASP 47 3HB ASP 47 -24.766 -5.092 -22.883 348 H ALA 48 H ALA 48 -24.609 -8.150 -22.912 349 HA ALA 48 HA ALA 48 -25.782 -8.102 -20.416 350 HB1 ALA 48 1HB ALA 48 -25.731 -9.870 -22.645 351 HB2 ALA 48 2HB ALA 48 -25.567 -10.821 -21.169 352 HB3 ALA 48 3HB ALA 48 -26.941 -9.733 -21.369 353 H THR 49 H THR 49 -22.745 -9.577 -21.401 354 HA THR 49 HA THR 49 -22.135 -10.052 -18.562 355 HB THR 49 HB THR 49 -20.978 -12.124 -19.101 356 HG1 THR 49 HG1 THR 49 -20.603 -12.711 -21.114 357 HG21 THR 49 1HG2 THR 49 -23.221 -12.493 -18.473 358 HG22 THR 49 2HG2 THR 49 -22.985 -13.467 -19.924 359 HG23 THR 49 3HG2 THR 49 -23.834 -11.925 -20.025 360 H LYS 50 H LYS 50 -21.429 -8.075 -20.849 361 HA LYS 50 HA LYS 50 -19.618 -6.900 -21.577 362 HB2 LYS 50 2HB LYS 50 -18.417 -7.844 -18.968 363 HB3 LYS 50 3HB LYS 50 -17.904 -6.449 -19.907 364 HG2 LYS 50 2HG LYS 50 -20.679 -6.692 -18.792 365 HG3 LYS 50 3HG LYS 50 -19.341 -6.004 -17.868 366 HD2 LYS 50 2HD LYS 50 -19.080 -4.217 -19.378 367 HD3 LYS 50 3HD LYS 50 -20.057 -5.013 -20.615 368 HE2 LYS 50 2HE LYS 50 -22.041 -4.487 -19.575 369 HE3 LYS 50 3HE LYS 50 -21.299 -4.371 -17.980 370 HZ1 LYS 50 1HZ LYS 50 -20.085 -2.376 -19.295 371 HZ2 LYS 50 2HZ LYS 50 -21.468 -2.183 -18.341 372 HZ3 LYS 50 3HZ LYS 50 -21.614 -2.347 -20.019 373 H THR 51 H THR 51 -19.699 -9.273 -22.828 374 HA THR 51 HA THR 51 -16.857 -9.924 -23.114 375 HB THR 51 HB THR 51 -18.997 -12.057 -23.017 376 HG1 THR 51 HG1 THR 51 -18.623 -11.298 -20.926 377 HG21 THR 51 1HG2 THR 51 -16.139 -12.005 -23.743 378 HG22 THR 51 2HG2 THR 51 -17.416 -13.115 -24.242 379 HG23 THR 51 3HG2 THR 51 -16.631 -13.321 -22.676 380 H PHE 52 H PHE 52 -16.246 -10.622 -25.182 381 HA PHE 52 HA PHE 52 -18.155 -9.897 -27.276 382 HB2 PHE 52 2HB PHE 52 -15.213 -10.474 -27.621 383 HB3 PHE 52 3HB PHE 52 -16.280 -9.609 -28.723 384 HD1 PHE 52 HD1 PHE 52 -17.415 -7.466 -27.680 385 HD2 PHE 52 HD2 PHE 52 -13.820 -9.254 -26.267 386 HE1 PHE 52 HE1 PHE 52 -16.770 -5.335 -26.632 387 HE2 PHE 52 HE2 PHE 52 -13.169 -7.127 -25.217 388 HZ PHE 52 HZ PHE 52 -14.646 -5.163 -25.398 389 H THR 53 H THR 53 -19.272 -11.462 -28.214 390 HA THR 53 HA THR 53 -18.266 -14.204 -28.152 391 HB THR 53 HB THR 53 -20.973 -13.146 -28.994 392 HG1 THR 53 HG1 THR 53 -20.284 -14.623 -26.660 393 HG21 THR 53 1HG2 THR 53 -19.751 -15.856 -29.002 394 HG22 THR 53 2HG2 THR 53 -20.939 -15.148 -30.096 395 HG23 THR 53 3HG2 THR 53 -21.436 -15.716 -28.503 396 H VAL 54 H VAL 54 -17.586 -15.294 -29.903 397 HA VAL 54 HA VAL 54 -17.802 -13.944 -32.515 398 HB VAL 54 HB VAL 54 -15.614 -15.841 -31.662 399 HG11 VAL 54 1HG1 VAL 54 -14.525 -14.609 -33.690 400 HG12 VAL 54 2HG1 VAL 54 -15.645 -15.945 -33.964 401 HG13 VAL 54 3HG1 VAL 54 -16.198 -14.279 -34.138 402 HG21 VAL 54 1HG2 VAL 54 -15.383 -13.880 -30.325 403 HG22 VAL 54 2HG2 VAL 54 -14.191 -13.778 -31.620 404 HG23 VAL 54 3HG2 VAL 54 -15.676 -12.829 -31.711 405 H THR 55 H THR 55 -19.465 -14.941 -33.504 406 HA THR 55 HA THR 55 -19.552 -17.880 -33.475 407 HB THR 55 HB THR 55 -21.729 -15.945 -34.292 408 HG1 THR 55 HG1 THR 55 -21.303 -17.428 -31.895 409 HG21 THR 55 1HG2 THR 55 -22.679 -17.732 -35.231 410 HG22 THR 55 2HG2 THR 55 -22.795 -18.445 -33.621 411 HG23 THR 55 3HG2 THR 55 -21.397 -18.789 -34.640 412 H GLU 56 H GLU 56 -18.290 -18.570 -35.117 413 HA GLU 56 HA GLU 56 -17.851 -17.262 -37.546 414 HB2 GLU 56 2HB GLU 56 -17.003 -19.428 -38.358 415 HB3 GLU 56 3HB GLU 56 -16.386 -19.035 -36.759 416 HG2 GLU 56 2HG GLU 56 -16.917 -21.271 -36.572 417 HG3 GLU 56 3HG GLU 56 -18.337 -20.476 -35.894 Start of MODEL 5 1 H1 MET 1 H MET 1 -9.701 -0.510 -20.293 2 HA MET 1 HA MET 1 -12.031 -0.962 -18.554 3 HB2 MET 1 2HB MET 1 -12.003 -0.894 -21.575 4 HB3 MET 1 3HB MET 1 -13.353 -1.478 -20.612 5 HG2 MET 1 2HG MET 1 -13.175 0.878 -19.489 6 HG3 MET 1 3HG MET 1 -12.351 1.296 -20.990 7 HE1 MET 1 1HE MET 1 -15.486 -0.723 -19.736 8 HE2 MET 1 2HE MET 1 -15.710 0.950 -19.222 9 HE3 MET 1 3HE MET 1 -16.779 0.250 -20.438 10 H THR 2 H THR 2 -12.580 -3.067 -18.185 11 HA THR 2 HA THR 2 -10.760 -5.089 -19.311 12 HB THR 2 HB THR 2 -12.362 -5.234 -16.749 13 HG1 THR 2 HG1 THR 2 -10.552 -3.732 -16.755 14 HG21 THR 2 1HG2 THR 2 -10.621 -7.140 -16.385 15 HG22 THR 2 2HG2 THR 2 -10.507 -7.124 -18.145 16 HG23 THR 2 3HG2 THR 2 -12.054 -7.448 -17.364 17 H PHE 3 H PHE 3 -11.605 -6.398 -20.780 18 HA PHE 3 HA PHE 3 -14.444 -7.137 -20.547 19 HB2 PHE 3 2HB PHE 3 -12.935 -6.460 -23.081 20 HB3 PHE 3 3HB PHE 3 -14.554 -7.153 -23.039 21 HD1 PHE 3 HD1 PHE 3 -12.775 -4.198 -23.365 22 HD2 PHE 3 HD2 PHE 3 -16.227 -5.790 -21.453 23 HE1 PHE 3 HE1 PHE 3 -13.730 -1.935 -23.217 24 HE2 PHE 3 HE2 PHE 3 -17.190 -3.531 -21.303 25 HZ PHE 3 HZ PHE 3 -15.942 -1.600 -22.185 26 H LYS 4 H LYS 4 -14.925 -9.109 -21.977 27 HA LYS 4 HA LYS 4 -12.677 -11.007 -21.813 28 HB2 LYS 4 2HB LYS 4 -14.273 -11.457 -20.023 29 HB3 LYS 4 3HB LYS 4 -15.590 -11.524 -21.187 30 HG2 LYS 4 2HG LYS 4 -14.962 -13.753 -20.548 31 HG3 LYS 4 3HG LYS 4 -14.527 -13.483 -22.237 32 HD2 LYS 4 2HD LYS 4 -12.688 -14.601 -21.249 33 HD3 LYS 4 3HD LYS 4 -12.205 -12.911 -21.416 34 HE2 LYS 4 2HE LYS 4 -11.523 -13.640 -19.254 35 HE3 LYS 4 3HE LYS 4 -12.906 -12.569 -19.036 36 HZ1 LYS 4 1HZ LYS 4 -14.058 -14.193 -18.086 37 HZ2 LYS 4 2HZ LYS 4 -12.636 -15.106 -18.040 38 HZ3 LYS 4 3HZ LYS 4 -13.714 -15.287 -19.330 39 H ALA 5 H ALA 5 -12.594 -12.644 -23.390 40 HA ALA 5 HA ALA 5 -14.376 -12.254 -25.703 41 HB1 ALA 5 1HB ALA 5 -12.513 -11.338 -26.625 42 HB2 ALA 5 2HB ALA 5 -11.414 -12.246 -25.586 43 HB3 ALA 5 3HB ALA 5 -12.172 -13.033 -26.970 44 H ILE 6 H ILE 6 -15.324 -14.048 -26.428 45 HA ILE 6 HA ILE 6 -14.165 -16.649 -25.668 46 HB ILE 6 HB ILE 6 -16.189 -16.097 -24.321 47 HG12 ILE 6 2HG1 ILE 6 -17.373 -18.258 -24.810 48 HG13 ILE 6 3HG1 ILE 6 -16.367 -18.423 -26.246 49 HG21 ILE 6 1HG2 ILE 6 -17.378 -14.799 -26.017 50 HG22 ILE 6 2HG2 ILE 6 -17.606 -16.259 -26.977 51 HG23 ILE 6 3HG2 ILE 6 -18.377 -16.113 -25.398 52 HD11 ILE 6 1HD1 ILE 6 -14.550 -17.977 -24.217 53 HD12 ILE 6 2HD1 ILE 6 -15.768 -19.023 -23.484 54 HD13 ILE 6 3HD1 ILE 6 -14.943 -19.528 -24.959 55 H ILE 7 H ILE 7 -14.236 -18.273 -27.178 56 HA ILE 7 HA ILE 7 -15.138 -17.474 -29.866 57 HB ILE 7 HB ILE 7 -13.071 -19.572 -29.219 58 HG12 ILE 7 2HG1 ILE 7 -12.244 -17.406 -28.475 59 HG13 ILE 7 3HG1 ILE 7 -11.401 -17.890 -29.943 60 HG21 ILE 7 1HG2 ILE 7 -13.330 -20.111 -31.359 61 HG22 ILE 7 2HG2 ILE 7 -14.438 -18.765 -31.617 62 HG23 ILE 7 3HG2 ILE 7 -12.699 -18.519 -31.780 63 HD11 ILE 7 1HD1 ILE 7 -11.932 -15.945 -30.836 64 HD12 ILE 7 2HD1 ILE 7 -13.636 -16.396 -30.756 65 HD13 ILE 7 3HD1 ILE 7 -12.892 -15.521 -29.418 66 H ASN 8 H ASN 8 -16.586 -18.697 -30.928 67 HA ASN 8 HA ASN 8 -17.431 -21.214 -29.647 68 HB2 ASN 8 2HB ASN 8 -19.054 -19.215 -29.680 69 HB3 ASN 8 3HB ASN 8 -19.199 -19.526 -31.408 70 HD21 ASN 8 1HD2 ASN 8 -19.499 -21.068 -28.246 71 HD22 ASN 8 2HD2 ASN 8 -20.757 -22.161 -28.701 72 H GLY 9 H GLY 9 -15.736 -22.222 -30.974 73 HA2 GLY 9 2HA GLY 9 -16.311 -22.339 -33.842 74 HA3 GLY 9 3HA GLY 9 -14.876 -22.968 -33.047 75 H LYS 10 H LYS 10 -15.921 -24.597 -34.829 76 HA LYS 10 HA LYS 10 -17.770 -26.420 -33.488 77 HB2 LYS 10 2HB LYS 10 -18.019 -25.696 -35.928 78 HB3 LYS 10 3HB LYS 10 -16.637 -26.732 -36.263 79 HG2 LYS 10 2HG LYS 10 -18.327 -28.184 -36.707 80 HG3 LYS 10 3HG LYS 10 -18.103 -28.514 -34.987 81 HD2 LYS 10 2HD LYS 10 -20.015 -26.379 -35.809 82 HD3 LYS 10 3HD LYS 10 -20.498 -28.068 -35.979 83 HE2 LYS 10 2HE LYS 10 -19.610 -28.231 -33.511 84 HE3 LYS 10 3HE LYS 10 -19.907 -26.493 -33.517 85 HZ1 LYS 10 1HZ LYS 10 -22.061 -26.860 -33.262 86 HZ2 LYS 10 2HZ LYS 10 -21.757 -28.517 -33.121 87 HZ3 LYS 10 3HZ LYS 10 -22.117 -27.849 -34.633 88 H THR 11 H THR 11 -14.437 -26.125 -34.401 89 HA THR 11 HA THR 11 -13.911 -28.745 -33.171 90 HB THR 11 HB THR 11 -11.882 -28.759 -34.853 91 HG1 THR 11 HG1 THR 11 -13.858 -27.379 -36.371 92 HG21 THR 11 1HG2 THR 11 -14.681 -29.690 -35.152 93 HG22 THR 11 2HG2 THR 11 -13.181 -30.615 -35.082 94 HG23 THR 11 3HG2 THR 11 -13.644 -29.798 -36.575 95 H LEU 12 H LEU 12 -12.480 -25.660 -34.205 96 HA LEU 12 HA LEU 12 -10.557 -25.887 -31.989 97 HB2 LEU 12 2HB LEU 12 -10.452 -24.620 -34.675 98 HB3 LEU 12 3HB LEU 12 -9.539 -23.868 -33.369 99 HG LEU 12 HG LEU 12 -8.430 -26.119 -33.026 100 HD11 LEU 12 1HD1 LEU 12 -9.874 -26.651 -35.608 101 HD12 LEU 12 2HD1 LEU 12 -9.899 -27.603 -34.124 102 HD13 LEU 12 3HD1 LEU 12 -8.438 -27.547 -35.109 103 HD21 LEU 12 1HD2 LEU 12 -8.071 -24.486 -35.522 104 HD22 LEU 12 2HD2 LEU 12 -6.992 -25.818 -35.107 105 HD23 LEU 12 3HD2 LEU 12 -7.139 -24.432 -34.026 106 H LYS 13 H LYS 13 -11.452 -24.948 -30.250 107 HA LYS 13 HA LYS 13 -12.309 -22.152 -30.524 108 HB2 LYS 13 2HB LYS 13 -14.146 -22.521 -28.959 109 HB3 LYS 13 3HB LYS 13 -14.326 -23.544 -30.378 110 HG2 LYS 13 2HG LYS 13 -12.968 -24.642 -27.965 111 HG3 LYS 13 3HG LYS 13 -14.728 -24.498 -27.980 112 HD2 LYS 13 2HD LYS 13 -14.440 -25.657 -30.341 113 HD3 LYS 13 3HD LYS 13 -12.942 -26.235 -29.609 114 HE2 LYS 13 2HE LYS 13 -14.142 -27.266 -27.814 115 HE3 LYS 13 3HE LYS 13 -15.655 -26.524 -28.330 116 HZ1 LYS 13 1HZ LYS 13 -16.018 -28.181 -29.737 117 HZ2 LYS 13 2HZ LYS 13 -14.705 -28.998 -29.054 118 HZ3 LYS 13 3HZ LYS 13 -14.482 -28.040 -30.431 119 H GLY 14 H GLY 14 -12.543 -21.162 -28.219 120 HA2 GLY 14 2HA GLY 14 -11.051 -22.218 -26.072 121 HA3 GLY 14 3HA GLY 14 -10.014 -21.163 -27.020 122 H GLU 15 H GLU 15 -9.858 -19.819 -25.134 123 HA GLU 15 HA GLU 15 -11.955 -17.816 -25.076 124 HB2 GLU 15 2HB GLU 15 -12.068 -17.857 -22.580 125 HB3 GLU 15 3HB GLU 15 -12.767 -19.272 -23.354 126 HG2 GLU 15 2HG GLU 15 -10.937 -20.629 -22.758 127 HG3 GLU 15 3HG GLU 15 -9.957 -19.236 -22.302 128 H THR 16 H THR 16 -11.163 -15.814 -24.753 129 HA THR 16 HA THR 16 -8.451 -15.534 -23.659 130 HB THR 16 HB THR 16 -7.856 -13.907 -25.382 131 HG1 THR 16 HG1 THR 16 -9.289 -13.202 -26.795 132 HG21 THR 16 1HG2 THR 16 -8.841 -16.332 -26.851 133 HG22 THR 16 2HG2 THR 16 -7.541 -16.451 -25.665 134 HG23 THR 16 3HG2 THR 16 -7.348 -15.424 -27.086 135 H THR 17 H THR 17 -8.028 -12.947 -23.650 136 HA THR 17 HA THR 17 -10.414 -11.691 -22.467 137 HB THR 17 HB THR 17 -8.544 -10.520 -20.973 138 HG1 THR 17 HG1 THR 17 -7.508 -13.138 -21.436 139 HG21 THR 17 1HG2 THR 17 -10.585 -11.998 -20.363 140 HG22 THR 17 2HG2 THR 17 -9.284 -11.815 -19.188 141 HG23 THR 17 3HG2 THR 17 -9.391 -13.279 -20.165 142 H THR 18 H THR 18 -10.360 -9.345 -22.426 143 HA THR 18 HA THR 18 -8.545 -8.176 -24.429 144 HB THR 18 HB THR 18 -11.327 -7.118 -24.198 145 HG1 THR 18 HG1 THR 18 -11.659 -9.345 -24.499 146 HG21 THR 18 1HG2 THR 18 -9.428 -7.446 -26.525 147 HG22 THR 18 2HG2 THR 18 -9.639 -5.974 -25.575 148 HG23 THR 18 3HG2 THR 18 -10.970 -6.592 -26.552 149 H GLU 19 H GLU 19 -7.319 -6.712 -23.453 150 HA GLU 19 HA GLU 19 -8.574 -4.924 -21.479 151 HB2 GLU 19 2HB GLU 19 -7.180 -6.505 -20.272 152 HB3 GLU 19 3HB GLU 19 -5.821 -6.162 -21.333 153 HG2 GLU 19 2HG GLU 19 -5.404 -4.120 -20.369 154 HG3 GLU 19 3HG GLU 19 -7.056 -3.938 -19.787 155 H ALA 20 H ALA 20 -8.751 -3.074 -22.599 156 HA ALA 20 HA ALA 20 -6.286 -1.947 -23.737 157 HB1 ALA 20 1HB ALA 20 -7.121 -1.846 -25.789 158 HB2 ALA 20 2HB ALA 20 -8.518 -2.768 -25.232 159 HB3 ALA 20 3HB ALA 20 -8.557 -1.005 -25.205 160 H VAL 21 H VAL 21 -6.859 0.501 -24.355 161 HA VAL 21 HA VAL 21 -7.540 1.739 -21.839 162 HB VAL 21 HB VAL 21 -6.834 3.074 -24.455 163 HG11 VAL 21 1HG1 VAL 21 -7.257 4.022 -21.671 164 HG12 VAL 21 2HG1 VAL 21 -5.986 4.788 -22.626 165 HG13 VAL 21 3HG1 VAL 21 -7.653 4.799 -23.204 166 HG21 VAL 21 1HG2 VAL 21 -4.554 3.256 -23.461 167 HG22 VAL 21 2HG2 VAL 21 -5.073 2.155 -22.185 168 HG23 VAL 21 3HG2 VAL 21 -5.033 1.606 -23.861 169 H ASP 22 H ASP 22 -8.808 1.824 -25.159 170 HA ASP 22 HA ASP 22 -11.373 2.758 -24.055 171 HB2 ASP 22 2HB ASP 22 -10.157 3.615 -26.691 172 HB3 ASP 22 3HB ASP 22 -11.719 4.126 -26.053 173 H ALA 23 H ALA 23 -13.243 2.257 -25.452 174 HA ALA 23 HA ALA 23 -13.407 -0.447 -26.065 175 HB1 ALA 23 1HB ALA 23 -15.548 0.129 -26.034 176 HB2 ALA 23 2HB ALA 23 -15.132 1.837 -26.198 177 HB3 ALA 23 3HB ALA 23 -15.346 0.839 -27.637 178 H ALA 24 H ALA 24 -12.623 2.294 -28.130 179 HA ALA 24 HA ALA 24 -12.723 0.868 -30.587 180 HB1 ALA 24 1HB ALA 24 -11.209 3.395 -29.940 181 HB2 ALA 24 2HB ALA 24 -11.627 2.802 -31.548 182 HB3 ALA 24 3HB ALA 24 -12.898 3.320 -30.441 183 H THR 25 H THR 25 -10.180 1.540 -28.245 184 HA THR 25 HA THR 25 -7.954 0.754 -29.719 185 HB THR 25 HB THR 25 -8.346 0.269 -26.761 186 HG1 THR 25 HG1 THR 25 -7.199 2.431 -26.765 187 HG21 THR 25 1HG2 THR 25 -5.730 1.136 -27.685 188 HG22 THR 25 2HG2 THR 25 -6.229 -0.387 -28.423 189 HG23 THR 25 3HG2 THR 25 -6.169 -0.236 -26.668 190 H ALA 26 H ALA 26 -10.368 -1.168 -28.055 191 HA ALA 26 HA ALA 26 -8.910 -3.637 -28.335 192 HB1 ALA 26 1HB ALA 26 -10.258 -3.867 -26.533 193 HB2 ALA 26 2HB ALA 26 -11.504 -2.805 -27.188 194 HB3 ALA 26 3HB ALA 26 -11.382 -4.473 -27.748 195 H GLU 27 H GLU 27 -11.203 -1.825 -30.198 196 HA GLU 27 HA GLU 27 -12.061 -4.006 -31.846 197 HB2 GLU 27 2HB GLU 27 -12.401 -1.035 -31.897 198 HB3 GLU 27 3HB GLU 27 -12.766 -1.960 -33.347 199 HG2 GLU 27 2HG GLU 27 -13.964 -2.605 -30.671 200 HG3 GLU 27 3HG GLU 27 -14.698 -1.467 -31.800 201 H LYS 28 H LYS 28 -9.769 -1.326 -32.230 202 HA LYS 28 HA LYS 28 -8.991 -1.829 -34.860 203 HB2 LYS 28 2HB LYS 28 -6.900 -0.623 -34.270 204 HB3 LYS 28 3HB LYS 28 -8.355 0.218 -33.749 205 HG2 LYS 28 2HG LYS 28 -7.927 -0.116 -31.532 206 HG3 LYS 28 3HG LYS 28 -7.009 -1.597 -31.819 207 HD2 LYS 28 2HD LYS 28 -5.356 -0.089 -31.212 208 HD3 LYS 28 3HD LYS 28 -5.304 -0.024 -32.974 209 HE2 LYS 28 2HE LYS 28 -6.887 1.948 -32.807 210 HE3 LYS 28 3HE LYS 28 -6.556 1.947 -31.075 211 HZ1 LYS 28 1HZ LYS 28 -4.146 2.119 -31.697 212 HZ2 LYS 28 2HZ LYS 28 -5.081 3.485 -32.045 213 HZ3 LYS 28 3HZ LYS 28 -4.642 2.422 -33.286 214 H VAL 29 H VAL 29 -8.199 -3.483 -31.920 215 HA VAL 29 HA VAL 29 -5.920 -4.869 -33.033 216 HB VAL 29 HB VAL 29 -7.415 -5.357 -30.454 217 HG11 VAL 29 1HG1 VAL 29 -6.277 -7.357 -31.026 218 HG12 VAL 29 2HG1 VAL 29 -4.836 -6.473 -31.531 219 HG13 VAL 29 3HG1 VAL 29 -5.279 -6.538 -29.825 220 HG21 VAL 29 1HG2 VAL 29 -6.211 -3.740 -29.495 221 HG22 VAL 29 2HG2 VAL 29 -4.724 -4.266 -30.284 222 HG23 VAL 29 3HG2 VAL 29 -5.841 -3.196 -31.131 223 H PHE 30 H PHE 30 -9.336 -5.407 -32.643 224 HA PHE 30 HA PHE 30 -9.316 -8.221 -33.018 225 HB2 PHE 30 2HB PHE 30 -11.376 -6.073 -33.039 226 HB3 PHE 30 3HB PHE 30 -11.786 -7.592 -33.826 227 HD1 PHE 30 HD1 PHE 30 -10.791 -9.675 -32.252 228 HD2 PHE 30 HD2 PHE 30 -12.283 -5.908 -30.948 229 HE1 PHE 30 HE1 PHE 30 -11.351 -10.657 -30.066 230 HE2 PHE 30 HE2 PHE 30 -12.844 -6.882 -28.761 231 HZ PHE 30 HZ PHE 30 -12.378 -9.260 -28.316 232 H LYS 31 H LYS 31 -9.897 -5.497 -35.225 233 HA LYS 31 HA LYS 31 -10.448 -6.933 -37.536 234 HB2 LYS 31 2HB LYS 31 -9.502 -4.895 -38.729 235 HB3 LYS 31 3HB LYS 31 -10.811 -4.600 -37.592 236 HG2 LYS 31 2HG LYS 31 -9.387 -3.641 -36.016 237 HG3 LYS 31 3HG LYS 31 -7.946 -4.334 -36.762 238 HD2 LYS 31 2HD LYS 31 -8.047 -1.969 -37.246 239 HD3 LYS 31 3HD LYS 31 -8.313 -2.885 -38.732 240 HE2 LYS 31 2HE LYS 31 -10.642 -2.457 -38.682 241 HE3 LYS 31 3HE LYS 31 -10.566 -1.842 -37.031 242 HZ1 LYS 31 1HZ LYS 31 -10.576 -0.291 -39.203 243 HZ2 LYS 31 2HZ LYS 31 -8.910 -0.442 -38.953 244 HZ3 LYS 31 3HZ LYS 31 -9.897 0.170 -37.723 245 H GLN 32 H GLN 32 -7.419 -6.363 -35.928 246 HA GLN 32 HA GLN 32 -5.787 -7.153 -38.160 247 HB2 GLN 32 2HB GLN 32 -5.249 -6.562 -35.265 248 HB3 GLN 32 3HB GLN 32 -4.003 -7.267 -36.287 249 HG2 GLN 32 2HG GLN 32 -5.423 -4.783 -37.140 250 HG3 GLN 32 3HG GLN 32 -4.103 -4.704 -35.975 251 HE21 GLN 32 1HE2 GLN 32 -2.615 -3.695 -37.217 252 HE22 GLN 32 2HE2 GLN 32 -1.938 -4.367 -38.657 253 H TYR 33 H TYR 33 -7.156 -8.689 -35.320 254 HA TYR 33 HA TYR 33 -5.664 -11.049 -35.305 255 HB2 TYR 33 2HB TYR 33 -8.344 -10.240 -34.294 256 HB3 TYR 33 3HB TYR 33 -7.995 -11.962 -34.379 257 HD1 TYR 33 HD1 TYR 33 -5.698 -9.153 -33.547 258 HD2 TYR 33 HD2 TYR 33 -7.751 -12.608 -32.149 259 HE1 TYR 33 HE1 TYR 33 -4.482 -9.007 -31.414 260 HE2 TYR 33 HE2 TYR 33 -6.541 -12.470 -30.012 261 HH TYR 33 HH TYR 33 -4.464 -11.526 -29.131 262 H PHE 34 H PHE 34 -8.387 -10.062 -37.270 263 HA PHE 34 HA PHE 34 -9.229 -12.495 -38.290 264 HB2 PHE 34 2HB PHE 34 -9.230 -9.694 -39.316 265 HB3 PHE 34 3HB PHE 34 -9.625 -10.988 -40.442 266 HD1 PHE 34 HD1 PHE 34 -11.077 -8.620 -38.512 267 HD2 PHE 34 HD2 PHE 34 -11.258 -12.825 -39.143 268 HE1 PHE 34 HE1 PHE 34 -13.387 -8.643 -37.666 269 HE2 PHE 34 HE2 PHE 34 -13.568 -12.855 -38.297 270 HZ PHE 34 HZ PHE 34 -14.636 -10.763 -37.558 271 H ASN 35 H ASN 35 -6.571 -10.422 -39.377 272 HA ASN 35 HA ASN 35 -5.842 -12.258 -41.489 273 HB2 ASN 35 2HB ASN 35 -5.503 -9.935 -41.956 274 HB3 ASN 35 3HB ASN 35 -4.596 -9.704 -40.464 275 HD21 ASN 35 1HD2 ASN 35 -4.545 -11.345 -43.580 276 HD22 ASN 35 2HD2 ASN 35 -2.826 -11.394 -43.729 277 H ASP 36 H ASP 36 -4.919 -11.590 -38.207 278 HA ASP 36 HA ASP 36 -2.368 -12.672 -38.098 279 HB2 ASP 36 2HB ASP 36 -4.599 -12.593 -36.075 280 HB3 ASP 36 3HB ASP 36 -3.026 -13.287 -35.694 281 H ASN 37 H ASN 37 -5.494 -14.324 -37.744 282 HA ASN 37 HA ASN 37 -4.090 -16.900 -37.958 283 HB2 ASN 37 2HB ASN 37 -5.736 -16.281 -36.008 284 HB3 ASN 37 3HB ASN 37 -6.978 -16.671 -37.194 285 HD21 ASN 37 1HD2 ASN 37 -6.614 -18.803 -38.337 286 HD22 ASN 37 2HD2 ASN 37 -6.115 -20.128 -37.348 287 H GLY 38 H GLY 38 -6.239 -14.760 -39.572 288 HA2 GLY 38 2HA GLY 38 -7.097 -14.842 -41.706 289 HA3 GLY 38 3HA GLY 38 -6.187 -16.325 -41.952 290 H LEU 39 H LEU 39 -8.314 -16.229 -39.254 291 HA LEU 39 HA LEU 39 -9.918 -18.334 -40.392 292 HB2 LEU 39 2HB LEU 39 -10.888 -18.556 -38.250 293 HB3 LEU 39 3HB LEU 39 -9.173 -18.233 -38.000 294 HG LEU 39 HG LEU 39 -10.092 -15.738 -37.777 295 HD11 LEU 39 1HD1 LEU 39 -12.242 -16.507 -36.187 296 HD12 LEU 39 2HD1 LEU 39 -12.456 -17.388 -37.700 297 HD13 LEU 39 3HD1 LEU 39 -12.307 -15.631 -37.717 298 HD21 LEU 39 1HD2 LEU 39 -10.018 -17.897 -35.681 299 HD22 LEU 39 2HD2 LEU 39 -10.239 -16.189 -35.299 300 HD23 LEU 39 3HD2 LEU 39 -8.757 -16.732 -36.090 301 H ASP 40 H ASP 40 -12.374 -18.198 -39.999 302 HA ASP 40 HA ASP 40 -13.355 -15.541 -40.805 303 HB2 ASP 40 2HB ASP 40 -15.054 -16.759 -42.212 304 HB3 ASP 40 3HB ASP 40 -13.394 -16.883 -42.787 305 H GLY 41 H GLY 41 -14.145 -14.969 -38.808 306 HA2 GLY 41 2HA GLY 41 -16.487 -16.510 -37.915 307 HA3 GLY 41 3HA GLY 41 -15.251 -16.066 -36.748 308 H GLU 42 H GLU 42 -18.056 -15.332 -36.754 309 HA GLU 42 HA GLU 42 -17.986 -12.467 -37.337 310 HB2 GLU 42 2HB GLU 42 -20.350 -14.039 -36.327 311 HB3 GLU 42 3HB GLU 42 -20.355 -12.479 -37.137 312 HG2 GLU 42 2HG GLU 42 -19.634 -15.124 -38.376 313 HG3 GLU 42 3HG GLU 42 -21.129 -14.224 -38.623 314 H TRP 43 H TRP 43 -17.447 -11.091 -35.791 315 HA TRP 43 HA TRP 43 -17.507 -11.949 -33.005 316 HB2 TRP 43 2HB TRP 43 -16.031 -9.933 -34.569 317 HB3 TRP 43 3HB TRP 43 -16.488 -9.421 -32.946 318 HD1 TRP 43 HD1 TRP 43 -14.979 -10.222 -31.015 319 HE1 TRP 43 HE1 TRP 43 -13.009 -11.865 -30.803 320 HE3 TRP 43 HE3 TRP 43 -15.150 -12.301 -35.682 321 HZ2 TRP 43 HZ2 TRP 43 -11.701 -13.787 -32.403 322 HZ3 TRP 43 HZ3 TRP 43 -13.503 -14.035 -36.263 323 HH2 TRP 43 HH2 TRP 43 -11.815 -14.761 -34.656 324 H THR 44 H THR 44 -18.807 -11.106 -31.459 325 HA THR 44 HA THR 44 -20.571 -8.873 -32.193 326 HB THR 44 HB THR 44 -21.757 -11.017 -30.515 327 HG1 THR 44 HG1 THR 44 -21.618 -11.256 -33.350 328 HG21 THR 44 1HG2 THR 44 -23.495 -9.665 -30.882 329 HG22 THR 44 2HG2 THR 44 -23.484 -10.215 -32.559 330 HG23 THR 44 3HG2 THR 44 -22.603 -8.756 -32.102 331 H TYR 45 H TYR 45 -21.777 -8.054 -30.199 332 HA TYR 45 HA TYR 45 -19.964 -8.125 -27.876 333 HB2 TYR 45 2HB TYR 45 -20.863 -5.771 -27.440 334 HB3 TYR 45 3HB TYR 45 -19.744 -5.959 -28.785 335 HD1 TYR 45 HD1 TYR 45 -20.589 -5.901 -31.114 336 HD2 TYR 45 HD2 TYR 45 -23.124 -5.086 -27.795 337 HE1 TYR 45 HE1 TYR 45 -22.229 -4.868 -32.627 338 HE2 TYR 45 HE2 TYR 45 -24.771 -4.051 -29.299 339 HH TYR 45 HH TYR 45 -24.547 -4.306 -32.725 340 H ASP 46 H ASP 46 -20.860 -9.123 -26.211 341 HA ASP 46 HA ASP 46 -23.782 -9.106 -25.931 342 HB2 ASP 46 2HB ASP 46 -21.710 -10.885 -24.626 343 HB3 ASP 46 3HB ASP 46 -23.453 -11.016 -24.401 344 H ASP 47 H ASP 47 -23.781 -6.931 -25.092 345 HA ASP 47 HA ASP 47 -22.383 -6.059 -22.849 346 HB2 ASP 47 2HB ASP 47 -23.984 -4.798 -24.507 347 HB3 ASP 47 3HB ASP 47 -25.209 -5.173 -23.298 348 H ALA 48 H ALA 48 -25.075 -8.209 -23.106 349 HA ALA 48 HA ALA 48 -26.301 -7.998 -20.644 350 HB1 ALA 48 1HB ALA 48 -27.455 -9.578 -21.711 351 HB2 ALA 48 2HB ALA 48 -26.070 -10.034 -22.704 352 HB3 ALA 48 3HB ALA 48 -26.261 -10.718 -21.089 353 H THR 49 H THR 49 -23.266 -9.573 -21.472 354 HA THR 49 HA THR 49 -22.738 -9.909 -18.595 355 HB THR 49 HB THR 49 -21.589 -11.995 -18.982 356 HG1 THR 49 HG1 THR 49 -21.355 -12.852 -21.024 357 HG21 THR 49 1HG2 THR 49 -23.426 -13.394 -19.364 358 HG22 THR 49 2HG2 THR 49 -24.158 -12.274 -20.512 359 HG23 THR 49 3HG2 THR 49 -24.152 -11.894 -18.791 360 H LYS 50 H LYS 50 -21.967 -8.026 -20.954 361 HA LYS 50 HA LYS 50 -20.140 -6.863 -21.665 362 HB2 LYS 50 2HB LYS 50 -19.356 -7.611 -18.854 363 HB3 LYS 50 3HB LYS 50 -18.344 -6.585 -19.862 364 HG2 LYS 50 2HG LYS 50 -19.526 -4.991 -18.760 365 HG3 LYS 50 3HG LYS 50 -20.593 -5.236 -20.144 366 HD2 LYS 50 2HD LYS 50 -22.040 -5.288 -18.315 367 HD3 LYS 50 3HD LYS 50 -21.757 -6.994 -18.670 368 HE2 LYS 50 2HE LYS 50 -20.300 -7.241 -16.845 369 HE3 LYS 50 3HE LYS 50 -20.099 -5.500 -16.660 370 HZ1 LYS 50 1HZ LYS 50 -21.826 -5.428 -15.295 371 HZ2 LYS 50 2HZ LYS 50 -21.878 -7.119 -15.315 372 HZ3 LYS 50 3HZ LYS 50 -22.827 -6.230 -16.398 373 H THR 51 H THR 51 -20.102 -9.202 -22.882 374 HA THR 51 HA THR 51 -17.257 -9.853 -22.989 375 HB THR 51 HB THR 51 -19.363 -12.020 -22.859 376 HG1 THR 51 HG1 THR 51 -17.758 -10.818 -20.907 377 HG21 THR 51 1HG2 THR 51 -17.396 -13.514 -22.687 378 HG22 THR 51 2HG2 THR 51 -16.345 -12.122 -22.957 379 HG23 THR 51 3HG2 THR 51 -17.458 -12.646 -24.221 380 H PHE 52 H PHE 52 -16.555 -10.640 -24.996 381 HA PHE 52 HA PHE 52 -18.374 -10.024 -27.196 382 HB2 PHE 52 2HB PHE 52 -15.429 -10.665 -27.376 383 HB3 PHE 52 3HB PHE 52 -16.431 -9.870 -28.584 384 HD1 PHE 52 HD1 PHE 52 -17.514 -7.621 -27.862 385 HD2 PHE 52 HD2 PHE 52 -14.159 -9.392 -25.934 386 HE1 PHE 52 HE1 PHE 52 -16.892 -5.427 -26.936 387 HE2 PHE 52 HE2 PHE 52 -13.532 -7.203 -25.005 388 HZ PHE 52 HZ PHE 52 -14.899 -5.217 -25.505 389 H THR 53 H THR 53 -19.514 -11.629 -28.035 390 HA THR 53 HA THR 53 -18.536 -14.374 -27.830 391 HB THR 53 HB THR 53 -20.861 -13.914 -27.148 392 HG1 THR 53 HG1 THR 53 -21.655 -15.717 -28.147 393 HG21 THR 53 1HG2 THR 53 -21.256 -12.094 -28.818 394 HG22 THR 53 2HG2 THR 53 -22.548 -13.291 -28.738 395 HG23 THR 53 3HG2 THR 53 -21.385 -13.336 -30.062 396 H VAL 54 H VAL 54 -17.839 -15.546 -29.518 397 HA VAL 54 HA VAL 54 -18.017 -14.323 -32.195 398 HB VAL 54 HB VAL 54 -15.881 -16.233 -31.248 399 HG11 VAL 54 1HG1 VAL 54 -15.867 -16.405 -33.540 400 HG12 VAL 54 2HG1 VAL 54 -16.414 -14.744 -33.777 401 HG13 VAL 54 3HG1 VAL 54 -14.747 -15.064 -33.299 402 HG21 VAL 54 1HG2 VAL 54 -15.760 -13.228 -31.489 403 HG22 VAL 54 2HG2 VAL 54 -15.746 -14.149 -29.985 404 HG23 VAL 54 3HG2 VAL 54 -14.401 -14.289 -31.117 405 H THR 55 H THR 55 -19.695 -15.329 -33.150 406 HA THR 55 HA THR 55 -19.789 -18.271 -33.040 407 HB THR 55 HB THR 55 -22.013 -16.350 -33.760 408 HG1 THR 55 HG1 THR 55 -22.348 -16.299 -31.679 409 HG21 THR 55 1HG2 THR 55 -23.387 -18.488 -33.407 410 HG22 THR 55 2HG2 THR 55 -21.858 -19.347 -33.588 411 HG23 THR 55 3HG2 THR 55 -22.470 -18.347 -34.906 412 H GLU 56 H GLU 56 -18.596 -18.968 -34.729 413 HA GLU 56 HA GLU 56 -18.336 -17.664 -37.204 414 HB2 GLU 56 2HB GLU 56 -16.751 -19.364 -36.371 415 HB3 GLU 56 3HB GLU 56 -17.980 -20.603 -36.584 416 HG2 GLU 56 2HG GLU 56 -17.790 -20.604 -38.859 417 HG3 GLU 56 3HG GLU 56 -17.235 -18.932 -38.925 Start of MODEL 6 1 H1 MET 1 H MET 1 -10.493 -0.578 -19.821 2 HA MET 1 HA MET 1 -12.448 -1.326 -17.748 3 HB2 MET 1 2HB MET 1 -12.856 -1.040 -20.721 4 HB3 MET 1 3HB MET 1 -13.964 -1.945 -19.697 5 HG2 MET 1 2HG MET 1 -13.276 0.867 -18.989 6 HG3 MET 1 3HG MET 1 -14.432 0.548 -20.281 7 HE1 MET 1 1HE MET 1 -16.347 -0.958 -20.100 8 HE2 MET 1 2HE MET 1 -16.090 -2.211 -18.885 9 HE3 MET 1 3HE MET 1 -17.401 -1.046 -18.688 10 H THR 2 H THR 2 -13.266 -3.558 -17.966 11 HA THR 2 HA THR 2 -11.152 -5.341 -18.984 12 HB THR 2 HB THR 2 -13.096 -5.842 -16.720 13 HG1 THR 2 HG1 THR 2 -11.357 -5.491 -15.398 14 HG21 THR 2 1HG2 THR 2 -11.086 -7.690 -16.510 15 HG22 THR 2 2HG2 THR 2 -11.317 -7.590 -18.256 16 HG23 THR 2 3HG2 THR 2 -12.676 -7.996 -17.207 17 H PHE 3 H PHE 3 -11.665 -6.694 -20.573 18 HA PHE 3 HA PHE 3 -14.406 -7.647 -20.857 19 HB2 PHE 3 2HB PHE 3 -12.925 -6.039 -22.927 20 HB3 PHE 3 3HB PHE 3 -14.200 -7.164 -23.382 21 HD1 PHE 3 HD1 PHE 3 -13.429 -3.892 -22.172 22 HD2 PHE 3 HD2 PHE 3 -16.503 -6.829 -22.385 23 HE1 PHE 3 HE1 PHE 3 -15.113 -2.158 -21.711 24 HE2 PHE 3 HE2 PHE 3 -18.192 -5.099 -21.925 25 HZ PHE 3 HZ PHE 3 -17.498 -2.761 -21.588 26 H LYS 4 H LYS 4 -14.580 -9.429 -22.432 27 HA LYS 4 HA LYS 4 -12.029 -10.842 -22.826 28 HB2 LYS 4 2HB LYS 4 -14.618 -11.942 -21.735 29 HB3 LYS 4 3HB LYS 4 -13.340 -12.972 -22.368 30 HG2 LYS 4 2HG LYS 4 -11.952 -12.577 -20.603 31 HG3 LYS 4 3HG LYS 4 -12.630 -10.978 -20.285 32 HD2 LYS 4 2HD LYS 4 -13.306 -12.386 -18.493 33 HD3 LYS 4 3HD LYS 4 -14.726 -12.137 -19.512 34 HE2 LYS 4 2HE LYS 4 -12.969 -14.498 -20.008 35 HE3 LYS 4 3HE LYS 4 -14.090 -14.532 -18.647 36 HZ1 LYS 4 1HZ LYS 4 -15.313 -15.432 -20.369 37 HZ2 LYS 4 2HZ LYS 4 -14.689 -14.370 -21.529 38 HZ3 LYS 4 3HZ LYS 4 -15.811 -13.815 -20.391 39 H ALA 5 H ALA 5 -12.100 -12.497 -24.514 40 HA ALA 5 HA ALA 5 -14.198 -12.015 -26.522 41 HB1 ALA 5 1HB ALA 5 -11.925 -10.863 -26.941 42 HB2 ALA 5 2HB ALA 5 -11.357 -12.484 -27.342 43 HB3 ALA 5 3HB ALA 5 -12.679 -11.760 -28.259 44 H ILE 6 H ILE 6 -15.269 -13.926 -26.143 45 HA ILE 6 HA ILE 6 -13.814 -16.434 -26.102 46 HB ILE 6 HB ILE 6 -15.789 -16.049 -24.632 47 HG12 ILE 6 2HG1 ILE 6 -16.914 -18.262 -25.230 48 HG13 ILE 6 3HG1 ILE 6 -15.827 -18.323 -26.613 49 HG21 ILE 6 1HG2 ILE 6 -17.100 -14.783 -26.329 50 HG22 ILE 6 2HG2 ILE 6 -17.402 -16.307 -27.164 51 HG23 ILE 6 3HG2 ILE 6 -18.012 -16.061 -25.527 52 HD11 ILE 6 1HD1 ILE 6 -14.657 -19.561 -25.101 53 HD12 ILE 6 2HD1 ILE 6 -13.994 -17.960 -24.772 54 HD13 ILE 6 3HD1 ILE 6 -15.240 -18.632 -23.721 55 H ILE 7 H ILE 7 -13.776 -17.954 -27.691 56 HA ILE 7 HA ILE 7 -15.073 -17.238 -30.239 57 HB ILE 7 HB ILE 7 -12.492 -18.771 -29.938 58 HG12 ILE 7 2HG1 ILE 7 -12.901 -15.889 -30.764 59 HG13 ILE 7 3HG1 ILE 7 -12.264 -16.412 -29.209 60 HG21 ILE 7 1HG2 ILE 7 -12.772 -17.601 -32.485 61 HG22 ILE 7 2HG2 ILE 7 -12.806 -19.312 -32.065 62 HG23 ILE 7 3HG2 ILE 7 -14.306 -18.386 -32.110 63 HD11 ILE 7 1HD1 ILE 7 -10.320 -15.980 -30.293 64 HD12 ILE 7 2HD1 ILE 7 -10.531 -17.668 -30.760 65 HD13 ILE 7 3HD1 ILE 7 -10.982 -16.380 -31.878 66 H ASN 8 H ASN 8 -16.332 -18.729 -31.185 67 HA ASN 8 HA ASN 8 -16.510 -21.363 -29.894 68 HB2 ASN 8 2HB ASN 8 -18.569 -19.995 -29.879 69 HB3 ASN 8 3HB ASN 8 -18.539 -19.951 -31.640 70 HD21 ASN 8 1HD2 ASN 8 -20.447 -20.998 -31.955 71 HD22 ASN 8 2HD2 ASN 8 -20.701 -22.661 -31.558 72 H GLY 9 H GLY 9 -14.702 -22.194 -31.089 73 HA2 GLY 9 2HA GLY 9 -14.723 -22.261 -33.949 74 HA3 GLY 9 3HA GLY 9 -13.663 -23.184 -32.893 75 H LYS 10 H LYS 10 -14.472 -24.460 -35.068 76 HA LYS 10 HA LYS 10 -16.908 -25.769 -35.099 77 HB2 LYS 10 2HB LYS 10 -14.875 -25.819 -36.758 78 HB3 LYS 10 3HB LYS 10 -14.414 -27.250 -35.845 79 HG2 LYS 10 2HG LYS 10 -17.105 -26.894 -37.142 80 HG3 LYS 10 3HG LYS 10 -15.735 -27.692 -37.917 81 HD2 LYS 10 2HD LYS 10 -15.665 -29.192 -35.849 82 HD3 LYS 10 3HD LYS 10 -17.264 -28.545 -35.474 83 HE2 LYS 10 2HE LYS 10 -16.518 -29.905 -38.060 84 HE3 LYS 10 3HE LYS 10 -17.330 -30.694 -36.709 85 HZ1 LYS 10 1HZ LYS 10 -18.699 -28.325 -37.388 86 HZ2 LYS 10 2HZ LYS 10 -19.261 -29.920 -37.424 87 HZ3 LYS 10 3HZ LYS 10 -18.494 -29.264 -38.782 88 H THR 11 H THR 11 -13.865 -26.976 -33.681 89 HA THR 11 HA THR 11 -15.489 -28.627 -31.857 90 HB THR 11 HB THR 11 -12.745 -29.440 -32.792 91 HG1 THR 11 HG1 THR 11 -13.874 -29.502 -34.671 92 HG21 THR 11 1HG2 THR 11 -13.456 -30.574 -30.812 93 HG22 THR 11 2HG2 THR 11 -13.646 -31.700 -32.156 94 HG23 THR 11 3HG2 THR 11 -15.055 -30.875 -31.489 95 H LEU 12 H LEU 12 -12.514 -26.797 -32.331 96 HA LEU 12 HA LEU 12 -11.871 -26.969 -29.494 97 HB2 LEU 12 2HB LEU 12 -10.455 -25.951 -31.920 98 HB3 LEU 12 3HB LEU 12 -9.936 -25.434 -30.318 99 HG LEU 12 HG LEU 12 -10.104 -28.324 -31.148 100 HD11 LEU 12 1HD1 LEU 12 -7.509 -26.893 -30.936 101 HD12 LEU 12 2HD1 LEU 12 -8.458 -26.697 -32.410 102 HD13 LEU 12 3HD1 LEU 12 -7.949 -28.305 -31.897 103 HD21 LEU 12 1HD2 LEU 12 -9.419 -28.813 -29.083 104 HD22 LEU 12 2HD2 LEU 12 -9.877 -27.163 -28.660 105 HD23 LEU 12 3HD2 LEU 12 -8.207 -27.531 -29.093 106 H LYS 13 H LYS 13 -12.606 -25.529 -28.094 107 HA LYS 13 HA LYS 13 -13.827 -23.071 -29.025 108 HB2 LYS 13 2HB LYS 13 -14.641 -24.685 -27.124 109 HB3 LYS 13 3HB LYS 13 -13.509 -23.776 -26.130 110 HG2 LYS 13 2HG LYS 13 -15.387 -22.558 -25.761 111 HG3 LYS 13 3HG LYS 13 -14.787 -21.719 -27.193 112 HD2 LYS 13 2HD LYS 13 -16.269 -23.023 -28.608 113 HD3 LYS 13 3HD LYS 13 -16.826 -23.945 -27.209 114 HE2 LYS 13 2HE LYS 13 -17.073 -20.960 -27.278 115 HE3 LYS 13 3HE LYS 13 -18.266 -21.979 -28.083 116 HZ1 LYS 13 1HZ LYS 13 -17.958 -21.413 -25.309 117 HZ2 LYS 13 2HZ LYS 13 -17.958 -23.080 -25.593 118 HZ3 LYS 13 3HZ LYS 13 -19.257 -22.133 -26.119 119 H GLY 14 H GLY 14 -12.874 -21.140 -29.057 120 HA2 GLY 14 2HA GLY 14 -10.200 -20.892 -27.890 121 HA3 GLY 14 3HA GLY 14 -10.919 -19.811 -29.075 122 H GLU 15 H GLU 15 -9.572 -19.052 -26.658 123 HA GLU 15 HA GLU 15 -11.635 -17.347 -25.555 124 HB2 GLU 15 2HB GLU 15 -11.299 -17.959 -23.254 125 HB3 GLU 15 3HB GLU 15 -11.720 -19.408 -24.157 126 HG2 GLU 15 2HG GLU 15 -9.330 -20.006 -24.251 127 HG3 GLU 15 3HG GLU 15 -8.966 -18.596 -23.258 128 H THR 16 H THR 16 -10.848 -15.387 -25.068 129 HA THR 16 HA THR 16 -8.030 -15.048 -24.418 130 HB THR 16 HB THR 16 -9.094 -13.258 -26.563 131 HG1 THR 16 HG1 THR 16 -8.185 -14.769 -28.102 132 HG21 THR 16 1HG2 THR 16 -6.426 -14.156 -25.549 133 HG22 THR 16 2HG2 THR 16 -7.028 -12.521 -25.823 134 HG23 THR 16 3HG2 THR 16 -6.576 -13.536 -27.192 135 H THR 17 H THR 17 -7.538 -12.765 -23.815 136 HA THR 17 HA THR 17 -9.908 -11.487 -22.613 137 HB THR 17 HB THR 17 -8.073 -10.506 -21.013 138 HG1 THR 17 HG1 THR 17 -6.375 -12.027 -20.695 139 HG21 THR 17 1HG2 THR 17 -9.022 -11.837 -19.480 140 HG22 THR 17 2HG2 THR 17 -8.435 -13.301 -20.267 141 HG23 THR 17 3HG2 THR 17 -9.926 -12.539 -20.821 142 H THR 18 H THR 18 -10.057 -9.244 -22.645 143 HA THR 18 HA THR 18 -8.055 -7.817 -24.260 144 HB THR 18 HB THR 18 -10.995 -7.228 -24.526 145 HG1 THR 18 HG1 THR 18 -11.196 -8.796 -25.957 146 HG21 THR 18 1HG2 THR 18 -8.785 -6.777 -26.517 147 HG22 THR 18 2HG2 THR 18 -9.158 -5.607 -25.250 148 HG23 THR 18 3HG2 THR 18 -10.378 -6.024 -26.453 149 H GLU 19 H GLU 19 -7.310 -6.059 -23.278 150 HA GLU 19 HA GLU 19 -9.034 -4.703 -21.313 151 HB2 GLU 19 2HB GLU 19 -7.053 -6.172 -20.429 152 HB3 GLU 19 3HB GLU 19 -6.064 -4.812 -20.940 153 HG2 GLU 19 2HG GLU 19 -7.857 -3.458 -19.542 154 HG3 GLU 19 3HG GLU 19 -8.024 -5.012 -18.727 155 H ALA 20 H ALA 20 -9.577 -2.895 -22.388 156 HA ALA 20 HA ALA 20 -7.383 -1.155 -23.275 157 HB1 ALA 20 1HB ALA 20 -7.998 -1.646 -25.384 158 HB2 ALA 20 2HB ALA 20 -9.596 -2.214 -24.901 159 HB3 ALA 20 3HB ALA 20 -9.288 -0.486 -25.068 160 H VAL 21 H VAL 21 -7.966 1.122 -23.379 161 HA VAL 21 HA VAL 21 -9.887 1.801 -21.281 162 HB VAL 21 HB VAL 21 -7.565 2.694 -21.157 163 HG11 VAL 21 1HG1 VAL 21 -8.356 4.446 -23.476 164 HG12 VAL 21 2HG1 VAL 21 -6.794 4.375 -22.657 165 HG13 VAL 21 3HG1 VAL 21 -7.340 3.013 -23.636 166 HG21 VAL 21 1HG2 VAL 21 -9.588 3.803 -20.133 167 HG22 VAL 21 2HG2 VAL 21 -8.196 4.852 -20.403 168 HG23 VAL 21 3HG2 VAL 21 -9.571 4.911 -21.505 169 H ASP 22 H ASP 22 -9.374 2.123 -24.699 170 HA ASP 22 HA ASP 22 -11.802 3.782 -24.894 171 HB2 ASP 22 2HB ASP 22 -9.254 3.782 -26.439 172 HB3 ASP 22 3HB ASP 22 -10.740 4.157 -27.307 173 H ALA 23 H ALA 23 -13.130 3.399 -26.834 174 HA ALA 23 HA ALA 23 -13.692 0.618 -27.130 175 HB1 ALA 23 1HB ALA 23 -14.969 2.332 -29.095 176 HB2 ALA 23 2HB ALA 23 -15.684 1.327 -27.834 177 HB3 ALA 23 3HB ALA 23 -15.124 2.954 -27.452 178 H ALA 24 H ALA 24 -11.909 2.972 -28.970 179 HA ALA 24 HA ALA 24 -11.828 1.441 -31.395 180 HB1 ALA 24 1HB ALA 24 -10.931 3.279 -32.294 181 HB2 ALA 24 2HB ALA 24 -11.302 4.056 -30.753 182 HB3 ALA 24 3HB ALA 24 -9.693 3.395 -31.044 183 H THR 25 H THR 25 -9.600 2.019 -28.697 184 HA THR 25 HA THR 25 -7.362 0.692 -29.641 185 HB THR 25 HB THR 25 -8.371 0.792 -26.791 186 HG1 THR 25 HG1 THR 25 -7.989 2.851 -27.767 187 HG21 THR 25 1HG2 THR 25 -5.746 -0.044 -27.988 188 HG22 THR 25 2HG2 THR 25 -6.728 -0.875 -26.781 189 HG23 THR 25 3HG2 THR 25 -5.843 0.587 -26.345 190 H ALA 26 H ALA 26 -10.273 -0.615 -28.155 191 HA ALA 26 HA ALA 26 -9.242 -3.297 -28.008 192 HB1 ALA 26 1HB ALA 26 -12.033 -3.398 -27.832 193 HB2 ALA 26 2HB ALA 26 -10.871 -3.415 -26.506 194 HB3 ALA 26 3HB ALA 26 -11.558 -1.887 -27.057 195 H GLU 27 H GLU 27 -10.965 -1.377 -30.326 196 HA GLU 27 HA GLU 27 -11.966 -3.581 -31.863 197 HB2 GLU 27 2HB GLU 27 -11.823 -0.617 -32.230 198 HB3 GLU 27 3HB GLU 27 -12.152 -1.631 -33.627 199 HG2 GLU 27 2HG GLU 27 -14.189 -2.327 -32.816 200 HG3 GLU 27 3HG GLU 27 -13.753 -1.996 -31.140 201 H LYS 28 H LYS 28 -9.045 -1.686 -31.802 202 HA LYS 28 HA LYS 28 -8.074 -2.321 -34.373 203 HB2 LYS 28 2HB LYS 28 -6.558 -1.646 -31.845 204 HB3 LYS 28 3HB LYS 28 -5.861 -1.679 -33.460 205 HG2 LYS 28 2HG LYS 28 -8.239 0.040 -32.989 206 HG3 LYS 28 3HG LYS 28 -6.677 0.564 -32.355 207 HD2 LYS 28 2HD LYS 28 -6.685 1.529 -34.454 208 HD3 LYS 28 3HD LYS 28 -5.826 0.016 -34.756 209 HE2 LYS 28 2HE LYS 28 -7.572 -0.902 -35.918 210 HE3 LYS 28 3HE LYS 28 -8.786 0.041 -35.052 211 HZ1 LYS 28 1HZ LYS 28 -6.898 1.202 -37.024 212 HZ2 LYS 28 2HZ LYS 28 -8.232 1.962 -36.315 213 HZ3 LYS 28 3HZ LYS 28 -8.465 0.695 -37.411 214 H VAL 29 H VAL 29 -8.143 -4.080 -31.382 215 HA VAL 29 HA VAL 29 -6.092 -5.945 -31.930 216 HB VAL 29 HB VAL 29 -8.555 -6.333 -30.224 217 HG11 VAL 29 1HG1 VAL 29 -7.818 -8.412 -29.959 218 HG12 VAL 29 2HG1 VAL 29 -6.375 -8.076 -30.919 219 HG13 VAL 29 3HG1 VAL 29 -6.380 -7.750 -29.184 220 HG21 VAL 29 1HG2 VAL 29 -5.891 -5.072 -29.685 221 HG22 VAL 29 2HG2 VAL 29 -7.504 -4.468 -29.306 222 HG23 VAL 29 3HG2 VAL 29 -6.824 -5.810 -28.384 223 H PHE 30 H PHE 30 -9.561 -5.936 -32.605 224 HA PHE 30 HA PHE 30 -9.778 -8.567 -33.548 225 HB2 PHE 30 2HB PHE 30 -11.372 -6.129 -34.371 226 HB3 PHE 30 3HB PHE 30 -11.840 -7.801 -34.659 227 HD1 PHE 30 HD1 PHE 30 -12.736 -5.175 -32.800 228 HD2 PHE 30 HD2 PHE 30 -11.412 -9.179 -32.222 229 HE1 PHE 30 HE1 PHE 30 -13.864 -5.230 -30.614 230 HE2 PHE 30 HE2 PHE 30 -12.539 -9.241 -30.036 231 HZ PHE 30 HZ PHE 30 -13.768 -7.265 -29.230 232 H LYS 31 H LYS 31 -8.650 -5.637 -35.070 233 HA LYS 31 HA LYS 31 -8.798 -6.411 -37.757 234 HB2 LYS 31 2HB LYS 31 -6.707 -4.646 -36.469 235 HB3 LYS 31 3HB LYS 31 -7.126 -4.689 -38.177 236 HG2 LYS 31 2HG LYS 31 -9.106 -3.963 -36.038 237 HG3 LYS 31 3HG LYS 31 -8.072 -2.775 -36.836 238 HD2 LYS 31 2HD LYS 31 -9.843 -4.657 -38.374 239 HD3 LYS 31 3HD LYS 31 -10.414 -3.093 -37.787 240 HE2 LYS 31 2HE LYS 31 -7.922 -3.345 -39.440 241 HE3 LYS 31 3HE LYS 31 -9.515 -3.224 -40.184 242 HZ1 LYS 31 1HZ LYS 31 -9.498 -1.046 -39.868 243 HZ2 LYS 31 2HZ LYS 31 -7.913 -1.151 -39.285 244 HZ3 LYS 31 3HZ LYS 31 -9.217 -1.226 -38.210 245 H GLN 32 H GLN 32 -6.109 -6.713 -35.444 246 HA GLN 32 HA GLN 32 -4.434 -8.125 -37.270 247 HB2 GLN 32 2HB GLN 32 -3.683 -6.771 -35.256 248 HB3 GLN 32 3HB GLN 32 -4.200 -8.126 -34.263 249 HG2 GLN 32 2HG GLN 32 -1.955 -8.538 -34.511 250 HG3 GLN 32 3HG GLN 32 -2.653 -9.521 -35.798 251 HE21 GLN 32 1HE2 GLN 32 -0.046 -8.875 -35.950 252 HE22 GLN 32 2HE2 GLN 32 0.222 -7.709 -37.196 253 H TYR 33 H TYR 33 -6.910 -9.036 -35.023 254 HA TYR 33 HA TYR 33 -6.174 -11.767 -34.735 255 HB2 TYR 33 2HB TYR 33 -8.578 -10.120 -34.116 256 HB3 TYR 33 3HB TYR 33 -8.785 -11.867 -34.200 257 HD1 TYR 33 HD1 TYR 33 -9.098 -12.527 -31.987 258 HD2 TYR 33 HD2 TYR 33 -5.883 -9.906 -32.935 259 HE1 TYR 33 HE1 TYR 33 -8.252 -12.742 -29.687 260 HE2 TYR 33 HE2 TYR 33 -5.027 -10.116 -30.639 261 HH TYR 33 HH TYR 33 -5.155 -11.479 -28.743 262 H PHE 34 H PHE 34 -8.293 -10.019 -36.950 263 HA PHE 34 HA PHE 34 -9.580 -12.125 -38.192 264 HB2 PHE 34 2HB PHE 34 -8.761 -9.391 -39.061 265 HB3 PHE 34 3HB PHE 34 -9.342 -10.512 -40.287 266 HD1 PHE 34 HD1 PHE 34 -10.344 -7.914 -38.337 267 HD2 PHE 34 HD2 PHE 34 -11.530 -11.885 -39.312 268 HE1 PHE 34 HE1 PHE 34 -12.664 -7.366 -37.730 269 HE2 PHE 34 HE2 PHE 34 -13.853 -11.342 -38.708 270 HZ PHE 34 HZ PHE 34 -14.422 -9.081 -37.917 271 H ASN 35 H ASN 35 -6.370 -10.791 -38.850 272 HA ASN 35 HA ASN 35 -5.882 -12.637 -41.012 273 HB2 ASN 35 2HB ASN 35 -4.859 -10.471 -41.181 274 HB3 ASN 35 3HB ASN 35 -4.115 -10.637 -39.593 275 HD21 ASN 35 1HD2 ASN 35 -2.038 -10.375 -40.294 276 HD22 ASN 35 2HD2 ASN 35 -1.216 -11.534 -41.278 277 H ASP 36 H ASP 36 -5.309 -12.491 -37.593 278 HA ASP 36 HA ASP 36 -3.184 -14.221 -37.255 279 HB2 ASP 36 2HB ASP 36 -4.487 -12.927 -35.477 280 HB3 ASP 36 3HB ASP 36 -5.626 -14.272 -35.485 281 H ASN 37 H ASN 37 -6.618 -15.014 -37.664 282 HA ASN 37 HA ASN 37 -5.881 -17.846 -37.937 283 HB2 ASN 37 2HB ASN 37 -8.587 -16.585 -37.438 284 HB3 ASN 37 3HB ASN 37 -8.283 -18.314 -37.576 285 HD21 ASN 37 1HD2 ASN 37 -6.466 -19.076 -36.065 286 HD22 ASN 37 2HD2 ASN 37 -6.563 -18.500 -34.439 287 H GLY 38 H GLY 38 -7.013 -15.098 -39.656 288 HA2 GLY 38 2HA GLY 38 -7.422 -14.781 -41.896 289 HA3 GLY 38 3HA GLY 38 -6.777 -16.393 -42.167 290 H LEU 39 H LEU 39 -9.406 -16.085 -39.965 291 HA LEU 39 HA LEU 39 -11.166 -17.348 -41.950 292 HB2 LEU 39 2HB LEU 39 -10.515 -18.359 -39.613 293 HB3 LEU 39 3HB LEU 39 -11.790 -17.288 -39.037 294 HG LEU 39 HG LEU 39 -13.368 -18.419 -40.587 295 HD11 LEU 39 1HD1 LEU 39 -11.824 -20.816 -40.950 296 HD12 LEU 39 2HD1 LEU 39 -11.022 -19.443 -41.710 297 HD13 LEU 39 3HD1 LEU 39 -12.684 -19.843 -42.144 298 HD21 LEU 39 1HD2 LEU 39 -13.349 -20.623 -39.297 299 HD22 LEU 39 2HD2 LEU 39 -13.483 -19.136 -38.359 300 HD23 LEU 39 3HD2 LEU 39 -11.938 -19.980 -38.458 301 H ASP 40 H ASP 40 -13.468 -16.807 -41.862 302 HA ASP 40 HA ASP 40 -13.823 -13.933 -41.453 303 HB2 ASP 40 2HB ASP 40 -15.665 -15.880 -42.850 304 HB3 ASP 40 3HB ASP 40 -15.762 -14.122 -42.889 305 H GLY 41 H GLY 41 -13.755 -14.762 -39.046 306 HA2 GLY 41 2HA GLY 41 -16.176 -15.921 -38.041 307 HA3 GLY 41 3HA GLY 41 -14.882 -15.217 -37.083 308 H GLU 42 H GLU 42 -17.873 -14.972 -36.978 309 HA GLU 42 HA GLU 42 -18.195 -12.101 -37.460 310 HB2 GLU 42 2HB GLU 42 -20.186 -14.280 -36.824 311 HB3 GLU 42 3HB GLU 42 -20.612 -12.577 -36.913 312 HG2 GLU 42 2HG GLU 42 -19.773 -12.559 -39.256 313 HG3 GLU 42 3HG GLU 42 -19.559 -14.305 -39.137 314 H TRP 43 H TRP 43 -17.663 -10.807 -35.839 315 HA TRP 43 HA TRP 43 -17.669 -11.764 -33.104 316 HB2 TRP 43 2HB TRP 43 -16.552 -9.439 -34.557 317 HB3 TRP 43 3HB TRP 43 -17.005 -9.150 -32.879 318 HD1 TRP 43 HD1 TRP 43 -15.208 -9.724 -31.148 319 HE1 TRP 43 HE1 TRP 43 -13.051 -11.125 -31.130 320 HE3 TRP 43 HE3 TRP 43 -15.523 -11.761 -35.826 321 HZ2 TRP 43 HZ2 TRP 43 -11.664 -12.865 -32.868 322 HZ3 TRP 43 HZ3 TRP 43 -13.739 -13.283 -36.572 323 HH2 TRP 43 HH2 TRP 43 -11.850 -13.822 -35.122 324 H THR 44 H THR 44 -18.812 -10.770 -31.387 325 HA THR 44 HA THR 44 -20.991 -8.956 -32.082 326 HB THR 44 HB THR 44 -22.704 -10.309 -31.026 327 HG1 THR 44 HG1 THR 44 -22.196 -12.431 -30.320 328 HG21 THR 44 1HG2 THR 44 -21.200 -12.014 -33.013 329 HG22 THR 44 2HG2 THR 44 -22.213 -10.638 -33.448 330 HG23 THR 44 3HG2 THR 44 -22.930 -12.050 -32.674 331 H TYR 45 H TYR 45 -22.194 -8.259 -30.070 332 HA TYR 45 HA TYR 45 -20.296 -8.050 -27.826 333 HB2 TYR 45 2HB TYR 45 -21.571 -5.897 -27.318 334 HB3 TYR 45 3HB TYR 45 -20.531 -5.883 -28.738 335 HD1 TYR 45 HD1 TYR 45 -23.938 -5.636 -27.513 336 HD2 TYR 45 HD2 TYR 45 -21.531 -5.989 -31.004 337 HE1 TYR 45 HE1 TYR 45 -25.844 -4.921 -28.891 338 HE2 TYR 45 HE2 TYR 45 -23.431 -5.273 -32.392 339 HH TYR 45 HH TYR 45 -25.503 -4.084 -32.205 340 H ASP 46 H ASP 46 -20.896 -9.127 -26.081 341 HA ASP 46 HA ASP 46 -23.771 -9.543 -25.593 342 HB2 ASP 46 2HB ASP 46 -21.534 -11.201 -24.431 343 HB3 ASP 46 3HB ASP 46 -23.250 -11.589 -24.497 344 H ASP 47 H ASP 47 -23.834 -7.429 -24.580 345 HA ASP 47 HA ASP 47 -22.295 -6.659 -22.383 346 HB2 ASP 47 2HB ASP 47 -24.074 -5.350 -23.799 347 HB3 ASP 47 3HB ASP 47 -25.190 -5.905 -22.554 348 H ALA 48 H ALA 48 -24.841 -8.966 -22.634 349 HA ALA 48 HA ALA 48 -25.917 -9.032 -20.095 350 HB1 ALA 48 1HB ALA 48 -26.775 -11.075 -20.640 351 HB2 ALA 48 2HB ALA 48 -26.327 -10.504 -22.248 352 HB3 ALA 48 3HB ALA 48 -25.278 -11.631 -21.388 353 H THR 49 H THR 49 -22.794 -10.174 -21.195 354 HA THR 49 HA THR 49 -22.070 -10.710 -18.397 355 HB THR 49 HB THR 49 -22.429 -12.880 -19.483 356 HG1 THR 49 HG1 THR 49 -20.843 -13.240 -18.103 357 HG21 THR 49 1HG2 THR 49 -20.331 -11.912 -21.427 358 HG22 THR 49 2HG2 THR 49 -22.009 -12.319 -21.789 359 HG23 THR 49 3HG2 THR 49 -20.880 -13.583 -21.301 360 H LYS 50 H LYS 50 -21.609 -8.609 -20.645 361 HA LYS 50 HA LYS 50 -19.930 -7.252 -21.379 362 HB2 LYS 50 2HB LYS 50 -18.607 -8.145 -18.811 363 HB3 LYS 50 3HB LYS 50 -18.218 -6.697 -19.729 364 HG2 LYS 50 2HG LYS 50 -20.959 -7.166 -18.607 365 HG3 LYS 50 3HG LYS 50 -19.669 -6.427 -17.656 366 HD2 LYS 50 2HD LYS 50 -20.312 -5.358 -20.373 367 HD3 LYS 50 3HD LYS 50 -21.329 -4.925 -18.998 368 HE2 LYS 50 2HE LYS 50 -18.358 -4.660 -18.803 369 HE3 LYS 50 3HE LYS 50 -19.297 -3.425 -19.642 370 HZ1 LYS 50 1HZ LYS 50 -19.195 -2.657 -17.476 371 HZ2 LYS 50 2HZ LYS 50 -19.385 -4.194 -16.795 372 HZ3 LYS 50 3HZ LYS 50 -20.705 -3.419 -17.517 373 H THR 51 H THR 51 -19.810 -9.560 -22.714 374 HA THR 51 HA THR 51 -16.941 -9.905 -23.120 375 HB THR 51 HB THR 51 -18.797 -12.271 -22.807 376 HG1 THR 51 HG1 THR 51 -16.815 -11.138 -21.119 377 HG21 THR 51 1HG2 THR 51 -16.726 -13.596 -23.007 378 HG22 THR 51 2HG2 THR 51 -15.828 -12.115 -23.342 379 HG23 THR 51 3HG2 THR 51 -17.066 -12.671 -24.468 380 H PHE 52 H PHE 52 -16.367 -10.495 -25.216 381 HA PHE 52 HA PHE 52 -18.451 -10.033 -27.200 382 HB2 PHE 52 2HB PHE 52 -15.497 -10.402 -27.704 383 HB3 PHE 52 3HB PHE 52 -16.686 -9.652 -28.766 384 HD1 PHE 52 HD1 PHE 52 -14.146 -9.052 -26.430 385 HD2 PHE 52 HD2 PHE 52 -17.908 -7.560 -27.746 386 HE1 PHE 52 HE1 PHE 52 -13.604 -6.852 -25.473 387 HE2 PHE 52 HE2 PHE 52 -17.371 -5.357 -26.791 388 HZ PHE 52 HZ PHE 52 -15.217 -5.000 -25.653 389 H THR 53 H THR 53 -19.474 -11.670 -28.118 390 HA THR 53 HA THR 53 -18.311 -14.346 -28.011 391 HB THR 53 HB THR 53 -21.090 -13.455 -28.805 392 HG1 THR 53 HG1 THR 53 -20.004 -14.591 -26.432 393 HG21 THR 53 1HG2 THR 53 -21.563 -15.944 -28.478 394 HG22 THR 53 2HG2 THR 53 -19.819 -16.174 -28.601 395 HG23 THR 53 3HG2 THR 53 -20.714 -15.479 -29.951 396 H VAL 54 H VAL 54 -17.480 -15.350 -29.730 397 HA VAL 54 HA VAL 54 -17.902 -14.132 -32.382 398 HB VAL 54 HB VAL 54 -15.517 -15.777 -31.532 399 HG11 VAL 54 1HG1 VAL 54 -14.611 -14.441 -33.602 400 HG12 VAL 54 2HG1 VAL 54 -15.544 -15.922 -33.823 401 HG13 VAL 54 3HG1 VAL 54 -16.322 -14.351 -34.022 402 HG21 VAL 54 1HG2 VAL 54 -15.570 -13.721 -30.239 403 HG22 VAL 54 2HG2 VAL 54 -14.285 -13.651 -31.444 404 HG23 VAL 54 3HG2 VAL 54 -15.793 -12.777 -31.713 405 H THR 55 H THR 55 -19.470 -15.326 -33.304 406 HA THR 55 HA THR 55 -19.154 -18.256 -33.288 407 HB THR 55 HB THR 55 -21.740 -16.878 -33.956 408 HG1 THR 55 HG1 THR 55 -20.792 -16.333 -31.767 409 HG21 THR 55 1HG2 THR 55 -22.200 -19.241 -32.580 410 HG22 THR 55 2HG2 THR 55 -20.805 -19.603 -33.596 411 HG23 THR 55 3HG2 THR 55 -22.298 -19.011 -34.325 412 H GLU 56 H GLU 56 -18.060 -18.730 -35.110 413 HA GLU 56 HA GLU 56 -18.109 -17.316 -37.511 414 HB2 GLU 56 2HB GLU 56 -17.123 -19.325 -38.525 415 HB3 GLU 56 3HB GLU 56 -16.367 -18.937 -36.986 416 HG2 GLU 56 2HG GLU 56 -17.750 -20.657 -35.900 417 HG3 GLU 56 3HG GLU 56 -18.429 -21.073 -37.472 Start of MODEL 7 1 H1 MET 1 H MET 1 -10.655 -0.021 -20.305 2 HA MET 1 HA MET 1 -11.770 -0.898 -17.815 3 HB2 MET 1 2HB MET 1 -12.843 -0.032 -20.164 4 HB3 MET 1 3HB MET 1 -13.084 -1.768 -20.307 5 HG2 MET 1 2HG MET 1 -15.043 -0.883 -19.336 6 HG3 MET 1 3HG MET 1 -14.166 -1.706 -18.048 7 HE1 MET 1 1HE MET 1 -16.177 1.213 -16.561 8 HE2 MET 1 2HE MET 1 -16.255 1.705 -18.253 9 HE3 MET 1 3HE MET 1 -16.474 0.010 -17.816 10 H THR 2 H THR 2 -12.753 -3.095 -17.592 11 HA THR 2 HA THR 2 -10.817 -5.115 -18.491 12 HB THR 2 HB THR 2 -12.770 -5.241 -16.184 13 HG1 THR 2 HG1 THR 2 -11.233 -4.190 -15.189 14 HG21 THR 2 1HG2 THR 2 -12.438 -7.464 -16.804 15 HG22 THR 2 2HG2 THR 2 -11.197 -7.206 -15.579 16 HG23 THR 2 3HG2 THR 2 -10.767 -7.182 -17.288 17 H PHE 3 H PHE 3 -11.436 -6.380 -20.105 18 HA PHE 3 HA PHE 3 -14.202 -7.336 -20.188 19 HB2 PHE 3 2HB PHE 3 -12.743 -5.933 -22.419 20 HB3 PHE 3 3HB PHE 3 -14.075 -7.038 -22.742 21 HD1 PHE 3 HD1 PHE 3 -16.154 -6.535 -21.020 22 HD2 PHE 3 HD2 PHE 3 -13.311 -3.724 -22.481 23 HE1 PHE 3 HE1 PHE 3 -17.761 -4.713 -20.629 24 HE2 PHE 3 HE2 PHE 3 -14.913 -1.897 -22.091 25 HZ PHE 3 HZ PHE 3 -17.141 -2.391 -21.165 26 H LYS 4 H LYS 4 -14.410 -9.113 -21.906 27 HA LYS 4 HA LYS 4 -11.931 -10.657 -22.165 28 HB2 LYS 4 2HB LYS 4 -13.406 -11.336 -20.150 29 HB3 LYS 4 3HB LYS 4 -14.495 -12.002 -21.359 30 HG2 LYS 4 2HG LYS 4 -12.669 -13.420 -22.195 31 HG3 LYS 4 3HG LYS 4 -11.619 -12.784 -20.926 32 HD2 LYS 4 2HD LYS 4 -14.246 -14.128 -20.337 33 HD3 LYS 4 3HD LYS 4 -12.729 -15.021 -20.467 34 HE2 LYS 4 2HE LYS 4 -12.788 -12.639 -18.695 35 HE3 LYS 4 3HE LYS 4 -13.633 -14.087 -18.150 36 HZ1 LYS 4 1HZ LYS 4 -11.311 -15.121 -18.952 37 HZ2 LYS 4 2HZ LYS 4 -11.616 -14.624 -17.365 38 HZ3 LYS 4 3HZ LYS 4 -10.790 -13.598 -18.428 39 H ALA 5 H ALA 5 -12.007 -12.307 -23.810 40 HA ALA 5 HA ALA 5 -14.157 -11.908 -25.786 41 HB1 ALA 5 1HB ALA 5 -12.725 -11.282 -27.367 42 HB2 ALA 5 2HB ALA 5 -11.507 -11.131 -26.101 43 HB3 ALA 5 3HB ALA 5 -11.645 -12.632 -27.016 44 H ILE 6 H ILE 6 -15.217 -13.728 -26.171 45 HA ILE 6 HA ILE 6 -13.819 -16.289 -25.766 46 HB ILE 6 HB ILE 6 -15.756 -15.888 -24.266 47 HG12 ILE 6 2HG1 ILE 6 -17.023 -18.054 -25.095 48 HG13 ILE 6 3HG1 ILE 6 -15.679 -18.143 -26.228 49 HG21 ILE 6 1HG2 ILE 6 -17.577 -16.234 -26.610 50 HG22 ILE 6 2HG2 ILE 6 -17.919 -15.574 -25.011 51 HG23 ILE 6 3HG2 ILE 6 -16.991 -14.628 -26.175 52 HD11 ILE 6 1HD1 ILE 6 -15.631 -19.318 -23.854 53 HD12 ILE 6 2HD1 ILE 6 -14.180 -18.666 -24.617 54 HD13 ILE 6 3HD1 ILE 6 -15.018 -17.735 -23.376 55 H ILE 7 H ILE 7 -13.677 -17.712 -27.401 56 HA ILE 7 HA ILE 7 -14.757 -16.896 -29.992 57 HB ILE 7 HB ILE 7 -12.811 -19.130 -29.424 58 HG12 ILE 7 2HG1 ILE 7 -11.923 -16.947 -28.672 59 HG13 ILE 7 3HG1 ILE 7 -11.037 -17.583 -30.053 60 HG21 ILE 7 1HG2 ILE 7 -12.248 -18.466 -31.902 61 HG22 ILE 7 2HG2 ILE 7 -13.583 -19.559 -31.538 62 HG23 ILE 7 3HG2 ILE 7 -13.904 -17.861 -31.884 63 HD11 ILE 7 1HD1 ILE 7 -13.154 -15.949 -31.014 64 HD12 ILE 7 2HD1 ILE 7 -12.272 -15.066 -29.767 65 HD13 ILE 7 3HD1 ILE 7 -11.413 -15.714 -31.164 66 H ASN 8 H ASN 8 -16.270 -18.018 -31.087 67 HA ASN 8 HA ASN 8 -17.276 -20.492 -29.841 68 HB2 ASN 8 2HB ASN 8 -18.749 -18.354 -29.889 69 HB3 ASN 8 3HB ASN 8 -18.952 -18.722 -31.599 70 HD21 ASN 8 1HD2 ASN 8 -20.102 -19.263 -28.517 71 HD22 ASN 8 2HD2 ASN 8 -21.117 -20.621 -28.846 72 H GLY 9 H GLY 9 -16.189 -22.010 -31.024 73 HA2 GLY 9 2HA GLY 9 -17.049 -22.300 -33.796 74 HA3 GLY 9 3HA GLY 9 -15.318 -22.159 -33.529 75 H LYS 10 H LYS 10 -17.320 -24.371 -34.383 76 HA LYS 10 HA LYS 10 -17.011 -26.419 -32.414 77 HB2 LYS 10 2HB LYS 10 -18.823 -26.211 -34.237 78 HB3 LYS 10 3HB LYS 10 -17.623 -26.902 -35.320 79 HG2 LYS 10 2HG LYS 10 -19.020 -28.666 -34.550 80 HG3 LYS 10 3HG LYS 10 -17.447 -28.846 -33.768 81 HD2 LYS 10 2HD LYS 10 -18.271 -27.997 -31.715 82 HD3 LYS 10 3HD LYS 10 -19.762 -27.427 -32.467 83 HE2 LYS 10 2HE LYS 10 -19.094 -30.331 -32.583 84 HE3 LYS 10 3HE LYS 10 -19.714 -29.656 -31.077 85 HZ1 LYS 10 1HZ LYS 10 -21.733 -29.852 -31.930 86 HZ2 LYS 10 2HZ LYS 10 -21.124 -30.326 -33.435 87 HZ3 LYS 10 3HZ LYS 10 -21.340 -28.684 -33.090 88 H THR 11 H THR 11 -15.297 -25.481 -35.336 89 HA THR 11 HA THR 11 -13.632 -27.793 -35.446 90 HB THR 11 HB THR 11 -13.067 -25.080 -36.654 91 HG1 THR 11 HG1 THR 11 -14.749 -25.498 -37.860 92 HG21 THR 11 1HG2 THR 11 -11.129 -26.435 -36.799 93 HG22 THR 11 2HG2 THR 11 -11.912 -26.550 -38.375 94 HG23 THR 11 3HG2 THR 11 -12.071 -27.867 -37.213 95 H LEU 12 H LEU 12 -13.365 -24.615 -33.967 96 HA LEU 12 HA LEU 12 -11.218 -25.565 -32.280 97 HB2 LEU 12 2HB LEU 12 -9.874 -24.825 -34.080 98 HB3 LEU 12 3HB LEU 12 -10.832 -23.360 -34.285 99 HG LEU 12 HG LEU 12 -9.966 -22.589 -32.062 100 HD11 LEU 12 1HD1 LEU 12 -9.259 -24.488 -30.938 101 HD12 LEU 12 2HD1 LEU 12 -7.743 -23.754 -31.460 102 HD13 LEU 12 3HD1 LEU 12 -8.408 -25.128 -32.344 103 HD21 LEU 12 1HD2 LEU 12 -8.661 -21.419 -33.427 104 HD22 LEU 12 2HD2 LEU 12 -8.618 -22.735 -34.600 105 HD23 LEU 12 3HD2 LEU 12 -7.450 -22.693 -33.278 106 H LYS 13 H LYS 13 -11.303 -24.652 -30.309 107 HA LYS 13 HA LYS 13 -12.817 -22.153 -29.985 108 HB2 LYS 13 2HB LYS 13 -14.364 -23.892 -29.385 109 HB3 LYS 13 3HB LYS 13 -13.154 -24.700 -28.396 110 HG2 LYS 13 2HG LYS 13 -13.834 -21.909 -27.683 111 HG3 LYS 13 3HG LYS 13 -15.050 -23.149 -27.369 112 HD2 LYS 13 2HD LYS 13 -12.258 -23.717 -26.535 113 HD3 LYS 13 3HD LYS 13 -13.165 -22.526 -25.599 114 HE2 LYS 13 2HE LYS 13 -13.715 -24.448 -24.478 115 HE3 LYS 13 3HE LYS 13 -15.028 -24.374 -25.652 116 HZ1 LYS 13 1HZ LYS 13 -13.655 -26.556 -25.295 117 HZ2 LYS 13 2HZ LYS 13 -12.587 -25.821 -26.382 118 HZ3 LYS 13 3HZ LYS 13 -14.191 -26.112 -26.838 119 H GLY 14 H GLY 14 -11.958 -20.718 -28.574 120 HA2 GLY 14 2HA GLY 14 -9.776 -21.644 -26.824 121 HA3 GLY 14 3HA GLY 14 -9.527 -20.266 -27.886 122 H GLU 15 H GLU 15 -9.038 -19.075 -25.935 123 HA GLU 15 HA GLU 15 -11.274 -17.596 -25.003 124 HB2 GLU 15 2HB GLU 15 -11.691 -19.461 -23.559 125 HB3 GLU 15 3HB GLU 15 -9.998 -19.558 -23.098 126 HG2 GLU 15 2HG GLU 15 -11.518 -17.063 -22.527 127 HG3 GLU 15 3HG GLU 15 -11.757 -18.478 -21.504 128 H THR 16 H THR 16 -10.524 -15.603 -24.800 129 HA THR 16 HA THR 16 -7.908 -15.162 -23.560 130 HB THR 16 HB THR 16 -8.576 -13.536 -25.977 131 HG1 THR 16 HG1 THR 16 -7.065 -15.914 -26.220 132 HG21 THR 16 1HG2 THR 16 -6.664 -12.661 -25.130 133 HG22 THR 16 2HG2 THR 16 -5.919 -13.982 -26.030 134 HG23 THR 16 3HG2 THR 16 -6.222 -14.153 -24.302 135 H THR 17 H THR 17 -7.558 -12.824 -23.045 136 HA THR 17 HA THR 17 -10.114 -11.598 -22.252 137 HB THR 17 HB THR 17 -8.419 -10.282 -20.684 138 HG1 THR 17 HG1 THR 17 -6.687 -11.584 -20.086 139 HG21 THR 17 1HG2 THR 17 -9.541 -13.044 -20.252 140 HG22 THR 17 2HG2 THR 17 -10.230 -11.498 -19.754 141 HG23 THR 17 3HG2 THR 17 -8.777 -12.112 -18.965 142 H THR 18 H THR 18 -9.990 -9.165 -22.015 143 HA THR 18 HA THR 18 -8.164 -7.849 -23.858 144 HB THR 18 HB THR 18 -11.120 -7.428 -24.247 145 HG1 THR 18 HG1 THR 18 -9.388 -9.307 -25.485 146 HG21 THR 18 1HG2 THR 18 -8.733 -6.866 -26.012 147 HG22 THR 18 2HG2 THR 18 -9.587 -5.671 -25.036 148 HG23 THR 18 3HG2 THR 18 -10.413 -6.470 -26.373 149 H GLU 19 H GLU 19 -7.571 -5.932 -23.072 150 HA GLU 19 HA GLU 19 -9.334 -4.630 -21.102 151 HB2 GLU 19 2HB GLU 19 -7.354 -5.596 -20.023 152 HB3 GLU 19 3HB GLU 19 -6.312 -4.698 -21.118 153 HG2 GLU 19 2HG GLU 19 -7.288 -2.594 -20.194 154 HG3 GLU 19 3HG GLU 19 -8.121 -3.580 -18.993 155 H ALA 20 H ALA 20 -10.239 -2.999 -22.209 156 HA ALA 20 HA ALA 20 -8.470 -0.954 -23.295 157 HB1 ALA 20 1HB ALA 20 -10.606 -2.331 -24.906 158 HB2 ALA 20 2HB ALA 20 -9.926 -0.763 -25.342 159 HB3 ALA 20 3HB ALA 20 -8.887 -2.185 -25.275 160 H VAL 21 H VAL 21 -9.424 1.121 -23.429 161 HA VAL 21 HA VAL 21 -11.664 1.464 -21.597 162 HB VAL 21 HB VAL 21 -9.693 2.856 -21.240 163 HG11 VAL 21 1HG1 VAL 21 -10.059 4.635 -23.502 164 HG12 VAL 21 2HG1 VAL 21 -8.584 3.905 -22.865 165 HG13 VAL 21 3HG1 VAL 21 -9.595 3.008 -23.998 166 HG21 VAL 21 1HG2 VAL 21 -10.838 4.780 -20.730 167 HG22 VAL 21 2HG2 VAL 21 -11.731 4.782 -22.251 168 HG23 VAL 21 3HG2 VAL 21 -12.178 3.658 -20.968 169 H ASP 22 H ASP 22 -10.905 1.757 -24.974 170 HA ASP 22 HA ASP 22 -13.594 2.857 -25.472 171 HB2 ASP 22 2HB ASP 22 -11.007 3.161 -26.981 172 HB3 ASP 22 3HB ASP 22 -12.560 3.454 -27.760 173 H ALA 23 H ALA 23 -14.766 2.028 -27.290 174 HA ALA 23 HA ALA 23 -14.652 -0.797 -27.498 175 HB1 ALA 23 1HB ALA 23 -16.501 1.227 -28.122 176 HB2 ALA 23 2HB ALA 23 -16.198 0.345 -29.619 177 HB3 ALA 23 3HB ALA 23 -16.744 -0.519 -28.181 178 H ALA 24 H ALA 24 -13.524 1.834 -29.531 179 HA ALA 24 HA ALA 24 -12.965 0.297 -31.840 180 HB1 ALA 24 1HB ALA 24 -11.171 2.529 -31.560 181 HB2 ALA 24 2HB ALA 24 -12.493 2.289 -32.702 182 HB3 ALA 24 3HB ALA 24 -12.815 2.991 -31.117 183 H THR 25 H THR 25 -11.012 1.215 -29.035 184 HA THR 25 HA THR 25 -8.531 0.299 -29.880 185 HB THR 25 HB THR 25 -9.666 0.233 -27.076 186 HG1 THR 25 HG1 THR 25 -8.190 2.188 -28.529 187 HG21 THR 25 1HG2 THR 25 -7.789 -1.037 -26.787 188 HG22 THR 25 2HG2 THR 25 -7.059 0.565 -26.679 189 HG23 THR 25 3HG2 THR 25 -6.972 -0.343 -28.187 190 H ALA 26 H ALA 26 -11.275 -1.476 -28.605 191 HA ALA 26 HA ALA 26 -9.818 -3.947 -28.327 192 HB1 ALA 26 1HB ALA 26 -12.721 -3.215 -28.080 193 HB2 ALA 26 2HB ALA 26 -12.159 -4.884 -27.979 194 HB3 ALA 26 3HB ALA 26 -11.593 -3.691 -26.810 195 H GLU 27 H GLU 27 -11.649 -2.346 -30.796 196 HA GLU 27 HA GLU 27 -12.227 -4.652 -32.367 197 HB2 GLU 27 2HB GLU 27 -12.380 -1.705 -32.752 198 HB3 GLU 27 3HB GLU 27 -12.358 -2.711 -34.193 199 HG2 GLU 27 2HG GLU 27 -14.326 -2.933 -31.926 200 HG3 GLU 27 3HG GLU 27 -14.630 -2.179 -33.491 201 H LYS 28 H LYS 28 -9.710 -2.154 -32.504 202 HA LYS 28 HA LYS 28 -8.408 -3.067 -34.809 203 HB2 LYS 28 2HB LYS 28 -6.489 -1.767 -34.038 204 HB3 LYS 28 3HB LYS 28 -7.983 -0.867 -33.810 205 HG2 LYS 28 2HG LYS 28 -7.958 -1.227 -31.477 206 HG3 LYS 28 3HG LYS 28 -6.696 -2.454 -31.607 207 HD2 LYS 28 2HD LYS 28 -5.314 -0.494 -32.653 208 HD3 LYS 28 3HD LYS 28 -6.488 0.521 -31.811 209 HE2 LYS 28 2HE LYS 28 -5.922 -0.982 -29.768 210 HE3 LYS 28 3HE LYS 28 -4.473 -1.385 -30.687 211 HZ1 LYS 28 1HZ LYS 28 -4.157 0.485 -29.140 212 HZ2 LYS 28 2HZ LYS 28 -5.309 1.378 -29.996 213 HZ3 LYS 28 3HZ LYS 28 -3.865 0.919 -30.749 214 H VAL 29 H VAL 29 -8.343 -4.205 -31.528 215 HA VAL 29 HA VAL 29 -5.924 -5.665 -31.633 216 HB VAL 29 HB VAL 29 -8.373 -6.184 -29.941 217 HG11 VAL 29 1HG1 VAL 29 -6.226 -7.045 -28.504 218 HG12 VAL 29 2HG1 VAL 29 -7.284 -8.086 -29.459 219 HG13 VAL 29 3HG1 VAL 29 -5.765 -7.504 -30.144 220 HG21 VAL 29 1HG2 VAL 29 -6.540 -4.036 -29.918 221 HG22 VAL 29 2HG2 VAL 29 -7.808 -4.397 -28.749 222 HG23 VAL 29 3HG2 VAL 29 -6.183 -5.041 -28.513 223 H PHE 30 H PHE 30 -9.285 -6.549 -32.316 224 HA PHE 30 HA PHE 30 -8.677 -9.284 -32.887 225 HB2 PHE 30 2HB PHE 30 -11.129 -7.731 -33.726 226 HB3 PHE 30 3HB PHE 30 -10.980 -9.477 -33.567 227 HD1 PHE 30 HD1 PHE 30 -12.674 -7.023 -32.175 228 HD2 PHE 30 HD2 PHE 30 -9.694 -9.827 -31.004 229 HE1 PHE 30 HE1 PHE 30 -13.451 -6.871 -29.846 230 HE2 PHE 30 HE2 PHE 30 -10.466 -9.680 -28.673 231 HZ PHE 30 HZ PHE 30 -12.348 -8.201 -28.090 232 H LYS 31 H LYS 31 -8.712 -6.333 -34.700 233 HA LYS 31 HA LYS 31 -9.060 -7.225 -37.296 234 HB2 LYS 31 2HB LYS 31 -8.875 -4.852 -36.661 235 HB3 LYS 31 3HB LYS 31 -7.161 -5.076 -36.339 236 HG2 LYS 31 2HG LYS 31 -7.101 -4.171 -38.438 237 HG3 LYS 31 3HG LYS 31 -7.099 -5.895 -38.817 238 HD2 LYS 31 2HD LYS 31 -9.388 -5.871 -39.395 239 HD3 LYS 31 3HD LYS 31 -9.636 -4.286 -38.661 240 HE2 LYS 31 2HE LYS 31 -9.573 -3.838 -40.948 241 HE3 LYS 31 3HE LYS 31 -7.946 -3.440 -40.398 242 HZ1 LYS 31 1HZ LYS 31 -7.368 -4.733 -42.126 243 HZ2 LYS 31 2HZ LYS 31 -8.837 -5.571 -42.154 244 HZ3 LYS 31 3HZ LYS 31 -7.639 -6.002 -41.041 245 H GLN 32 H GLN 32 -6.245 -7.448 -35.220 246 HA GLN 32 HA GLN 32 -4.506 -8.364 -37.325 247 HB2 GLN 32 2HB GLN 32 -3.671 -7.098 -35.358 248 HB3 GLN 32 3HB GLN 32 -4.102 -8.457 -34.331 249 HG2 GLN 32 2HG GLN 32 -2.567 -9.802 -35.952 250 HG3 GLN 32 3HG GLN 32 -1.903 -8.212 -36.324 251 HE21 GLN 32 1HE2 GLN 32 -0.038 -8.044 -35.306 252 HE22 GLN 32 2HE2 GLN 32 0.252 -8.434 -33.648 253 H TYR 33 H TYR 33 -6.634 -9.790 -34.985 254 HA TYR 33 HA TYR 33 -5.527 -12.419 -35.082 255 HB2 TYR 33 2HB TYR 33 -8.008 -11.184 -33.978 256 HB3 TYR 33 3HB TYR 33 -7.980 -12.929 -34.203 257 HD1 TYR 33 HD1 TYR 33 -5.882 -10.206 -32.732 258 HD2 TYR 33 HD2 TYR 33 -7.211 -14.239 -32.463 259 HE1 TYR 33 HE1 TYR 33 -4.681 -10.452 -30.600 260 HE2 TYR 33 HE2 TYR 33 -6.015 -14.497 -30.329 261 HH TYR 33 HH TYR 33 -4.416 -13.560 -28.991 262 H PHE 34 H PHE 34 -7.771 -10.629 -37.021 263 HA PHE 34 HA PHE 34 -9.262 -12.616 -38.227 264 HB2 PHE 34 2HB PHE 34 -9.446 -10.101 -38.554 265 HB3 PHE 34 3HB PHE 34 -8.137 -10.249 -39.722 266 HD1 PHE 34 HD1 PHE 34 -8.493 -11.868 -41.680 267 HD2 PHE 34 HD2 PHE 34 -11.645 -10.416 -39.214 268 HE1 PHE 34 HE1 PHE 34 -10.121 -12.426 -43.437 269 HE2 PHE 34 HE2 PHE 34 -13.278 -10.974 -40.967 270 HZ PHE 34 HZ PHE 34 -12.518 -11.981 -43.082 271 H ASN 35 H ASN 35 -5.956 -11.612 -38.888 272 HA ASN 35 HA ASN 35 -5.711 -13.381 -41.165 273 HB2 ASN 35 2HB ASN 35 -4.512 -11.114 -40.817 274 HB3 ASN 35 3HB ASN 35 -3.413 -12.018 -39.780 275 HD21 ASN 35 1HD2 ASN 35 -4.878 -12.155 -43.004 276 HD22 ASN 35 2HD2 ASN 35 -3.473 -12.766 -43.803 277 H ASP 36 H ASP 36 -4.886 -13.367 -37.767 278 HA ASP 36 HA ASP 36 -3.040 -15.455 -37.694 279 HB2 ASP 36 2HB ASP 36 -5.083 -14.525 -35.677 280 HB3 ASP 36 3HB ASP 36 -3.920 -15.802 -35.329 281 H ASN 37 H ASN 37 -6.514 -15.498 -38.013 282 HA ASN 37 HA ASN 37 -6.509 -18.434 -37.861 283 HB2 ASN 37 2HB ASN 37 -8.912 -16.601 -37.881 284 HB3 ASN 37 3HB ASN 37 -8.883 -18.318 -37.488 285 HD21 ASN 37 1HD2 ASN 37 -9.332 -15.495 -36.121 286 HD22 ASN 37 2HD2 ASN 37 -8.625 -15.750 -34.565 287 H GLY 38 H GLY 38 -6.823 -15.773 -40.009 288 HA2 GLY 38 2HA GLY 38 -7.099 -15.670 -42.286 289 HA3 GLY 38 3HA GLY 38 -6.748 -17.391 -42.313 290 H LEU 39 H LEU 39 -9.392 -16.366 -40.370 291 HA LEU 39 HA LEU 39 -11.273 -17.242 -42.461 292 HB2 LEU 39 2HB LEU 39 -11.199 -17.890 -39.531 293 HB3 LEU 39 3HB LEU 39 -12.684 -18.026 -40.471 294 HG LEU 39 HG LEU 39 -10.210 -19.470 -41.344 295 HD11 LEU 39 1HD1 LEU 39 -10.270 -20.300 -39.190 296 HD12 LEU 39 2HD1 LEU 39 -11.302 -21.438 -40.057 297 HD13 LEU 39 3HD1 LEU 39 -12.024 -20.165 -39.074 298 HD21 LEU 39 1HD2 LEU 39 -11.760 -19.769 -42.978 299 HD22 LEU 39 2HD2 LEU 39 -13.124 -19.555 -41.881 300 HD23 LEU 39 3HD2 LEU 39 -12.245 -21.084 -41.908 301 H ASP 40 H ASP 40 -13.567 -16.522 -41.962 302 HA ASP 40 HA ASP 40 -13.693 -13.735 -41.897 303 HB2 ASP 40 2HB ASP 40 -15.808 -15.847 -41.494 304 HB3 ASP 40 3HB ASP 40 -16.185 -14.126 -41.516 305 H GLY 41 H GLY 41 -15.290 -15.797 -39.470 306 HA2 GLY 41 2HA GLY 41 -15.526 -15.554 -37.200 307 HA3 GLY 41 3HA GLY 41 -14.008 -14.668 -37.227 308 H GLU 42 H GLU 42 -17.365 -14.466 -36.815 309 HA GLU 42 HA GLU 42 -17.419 -11.568 -37.197 310 HB2 GLU 42 2HB GLU 42 -19.672 -13.444 -36.461 311 HB3 GLU 42 3HB GLU 42 -19.830 -11.748 -36.898 312 HG2 GLU 42 2HG GLU 42 -18.788 -13.905 -38.721 313 HG3 GLU 42 3HG GLU 42 -20.439 -13.286 -38.721 314 H TRP 43 H TRP 43 -17.091 -10.232 -35.557 315 HA TRP 43 HA TRP 43 -17.113 -11.283 -32.834 316 HB2 TRP 43 2HB TRP 43 -15.791 -9.034 -34.222 317 HB3 TRP 43 3HB TRP 43 -16.280 -8.717 -32.559 318 HD1 TRP 43 HD1 TRP 43 -14.679 -9.538 -30.721 319 HE1 TRP 43 HE1 TRP 43 -12.595 -11.047 -30.653 320 HE3 TRP 43 HE3 TRP 43 -14.767 -11.261 -35.533 321 HZ2 TRP 43 HZ2 TRP 43 -11.175 -12.744 -32.407 322 HZ3 TRP 43 HZ3 TRP 43 -13.009 -12.822 -36.259 323 HH2 TRP 43 HH2 TRP 43 -11.252 -13.547 -34.727 324 H THR 44 H THR 44 -18.343 -10.420 -31.172 325 HA THR 44 HA THR 44 -20.322 -8.373 -31.851 326 HB THR 44 HB THR 44 -21.353 -10.654 -30.260 327 HG1 THR 44 HG1 THR 44 -20.460 -11.838 -31.914 328 HG21 THR 44 1HG2 THR 44 -22.355 -8.468 -31.932 329 HG22 THR 44 2HG2 THR 44 -23.113 -9.291 -30.568 330 HG23 THR 44 3HG2 THR 44 -23.191 -10.001 -32.181 331 H TYR 45 H TYR 45 -21.560 -7.685 -29.848 332 HA TYR 45 HA TYR 45 -19.731 -7.684 -27.538 333 HB2 TYR 45 2HB TYR 45 -20.881 -5.477 -26.981 334 HB3 TYR 45 3HB TYR 45 -19.802 -5.472 -28.371 335 HD1 TYR 45 HD1 TYR 45 -20.743 -5.432 -30.666 336 HD2 TYR 45 HD2 TYR 45 -23.217 -5.048 -27.226 337 HE1 TYR 45 HE1 TYR 45 -22.554 -4.545 -32.075 338 HE2 TYR 45 HE2 TYR 45 -25.035 -4.161 -28.625 339 HH TYR 45 HH TYR 45 -25.151 -4.449 -31.889 340 H ASP 46 H ASP 46 -20.455 -8.753 -25.835 341 HA ASP 46 HA ASP 46 -23.364 -9.050 -25.484 342 HB2 ASP 46 2HB ASP 46 -21.291 -10.813 -24.195 343 HB3 ASP 46 3HB ASP 46 -23.002 -11.143 -24.459 344 H ASP 47 H ASP 47 -23.286 -6.896 -24.471 345 HA ASP 47 HA ASP 47 -21.856 -6.263 -22.174 346 HB2 ASP 47 2HB ASP 47 -23.429 -4.803 -23.650 347 HB3 ASP 47 3HB ASP 47 -24.690 -5.340 -22.543 348 H ALA 48 H ALA 48 -24.591 -8.343 -22.595 349 HA ALA 48 HA ALA 48 -25.749 -8.377 -20.092 350 HB1 ALA 48 1HB ALA 48 -26.171 -9.767 -22.333 351 HB2 ALA 48 2HB ALA 48 -25.350 -11.009 -21.385 352 HB3 ALA 48 3HB ALA 48 -26.821 -10.257 -20.768 353 H THR 49 H THR 49 -22.690 -9.711 -21.117 354 HA THR 49 HA THR 49 -22.131 -10.441 -18.326 355 HB THR 49 HB THR 49 -22.620 -12.530 -19.502 356 HG1 THR 49 HG1 THR 49 -20.961 -13.479 -18.551 357 HG21 THR 49 1HG2 THR 49 -22.182 -12.156 -21.761 358 HG22 THR 49 2HG2 THR 49 -20.856 -13.211 -21.270 359 HG23 THR 49 3HG2 THR 49 -20.587 -11.476 -21.438 360 H LYS 50 H LYS 50 -21.406 -8.307 -20.486 361 HA LYS 50 HA LYS 50 -19.592 -7.070 -21.096 362 HB2 LYS 50 2HB LYS 50 -18.558 -8.149 -18.467 363 HB3 LYS 50 3HB LYS 50 -17.859 -6.795 -19.345 364 HG2 LYS 50 2HG LYS 50 -19.154 -5.707 -17.804 365 HG3 LYS 50 3HG LYS 50 -20.269 -5.809 -19.168 366 HD2 LYS 50 2HD LYS 50 -21.471 -7.579 -18.190 367 HD3 LYS 50 3HD LYS 50 -20.197 -7.901 -17.012 368 HE2 LYS 50 2HE LYS 50 -20.649 -5.648 -16.029 369 HE3 LYS 50 3HE LYS 50 -22.034 -5.514 -17.111 370 HZ1 LYS 50 1HZ LYS 50 -23.240 -6.682 -15.690 371 HZ2 LYS 50 2HZ LYS 50 -21.933 -6.743 -14.618 372 HZ3 LYS 50 3HZ LYS 50 -22.152 -7.976 -15.755 373 H THR 51 H THR 51 -19.617 -9.392 -22.464 374 HA THR 51 HA THR 51 -16.761 -9.955 -22.756 375 HB THR 51 HB THR 51 -18.835 -12.155 -22.687 376 HG1 THR 51 HG1 THR 51 -18.415 -11.448 -20.587 377 HG21 THR 51 1HG2 THR 51 -17.035 -12.680 -24.204 378 HG22 THR 51 2HG2 THR 51 -16.827 -13.627 -22.730 379 HG23 THR 51 3HG2 THR 51 -15.833 -12.198 -23.007 380 H PHE 52 H PHE 52 -16.128 -10.552 -24.844 381 HA PHE 52 HA PHE 52 -18.093 -9.886 -26.911 382 HB2 PHE 52 2HB PHE 52 -15.104 -10.189 -27.228 383 HB3 PHE 52 3HB PHE 52 -16.227 -9.448 -28.363 384 HD1 PHE 52 HD1 PHE 52 -17.538 -7.385 -27.476 385 HD2 PHE 52 HD2 PHE 52 -13.939 -8.862 -25.748 386 HE1 PHE 52 HE1 PHE 52 -17.141 -5.190 -26.436 387 HE2 PHE 52 HE2 PHE 52 -13.536 -6.670 -24.704 388 HZ PHE 52 HZ PHE 52 -15.139 -4.831 -25.047 389 H THR 53 H THR 53 -19.089 -11.509 -27.885 390 HA THR 53 HA THR 53 -17.859 -14.158 -27.924 391 HB THR 53 HB THR 53 -20.196 -13.985 -27.170 392 HG1 THR 53 HG1 THR 53 -19.506 -15.906 -28.228 393 HG21 THR 53 1HG2 THR 53 -20.843 -13.186 -30.008 394 HG22 THR 53 2HG2 THR 53 -20.798 -12.062 -28.649 395 HG23 THR 53 3HG2 THR 53 -21.973 -13.378 -28.667 396 H VAL 54 H VAL 54 -17.052 -15.089 -29.704 397 HA VAL 54 HA VAL 54 -17.310 -13.628 -32.244 398 HB VAL 54 HB VAL 54 -15.208 -15.671 -31.526 399 HG11 VAL 54 1HG1 VAL 54 -14.067 -14.262 -33.438 400 HG12 VAL 54 2HG1 VAL 54 -15.163 -15.592 -33.814 401 HG13 VAL 54 3HG1 VAL 54 -15.741 -13.927 -33.878 402 HG21 VAL 54 1HG2 VAL 54 -15.121 -12.664 -31.348 403 HG22 VAL 54 2HG2 VAL 54 -14.941 -13.817 -30.027 404 HG23 VAL 54 3HG2 VAL 54 -13.699 -13.704 -31.273 405 H THR 55 H THR 55 -18.883 -14.478 -33.450 406 HA THR 55 HA THR 55 -19.198 -17.402 -33.518 407 HB THR 55 HB THR 55 -21.150 -15.314 -34.505 408 HG1 THR 55 HG1 THR 55 -20.625 -15.577 -32.089 409 HG21 THR 55 1HG2 THR 55 -22.669 -17.433 -34.081 410 HG22 THR 55 2HG2 THR 55 -21.152 -18.290 -34.349 411 HG23 THR 55 3HG2 THR 55 -21.796 -17.227 -35.599 412 H GLU 56 H GLU 56 -17.851 -18.144 -35.069 413 HA GLU 56 HA GLU 56 -17.266 -16.764 -37.476 414 HB2 GLU 56 2HB GLU 56 -15.743 -18.427 -36.505 415 HB3 GLU 56 3HB GLU 56 -16.928 -19.692 -36.798 416 HG2 GLU 56 2HG GLU 56 -16.760 -19.005 -39.262 417 HG3 GLU 56 3HG GLU 56 -15.288 -18.164 -38.780 Start of MODEL 8 1 H1 MET 1 H MET 1 -10.210 -0.479 -19.479 2 HA MET 1 HA MET 1 -12.217 -1.415 -17.546 3 HB2 MET 1 2HB MET 1 -12.642 -0.790 -20.465 4 HB3 MET 1 3HB MET 1 -13.738 -1.811 -19.545 5 HG2 MET 1 2HG MET 1 -13.913 0.156 -17.922 6 HG3 MET 1 3HG MET 1 -13.172 1.109 -19.207 7 HE1 MET 1 1HE MET 1 -16.302 2.519 -20.464 8 HE2 MET 1 2HE MET 1 -15.864 2.533 -18.756 9 HE3 MET 1 3HE MET 1 -14.611 2.675 -19.989 10 H THR 2 H THR 2 -12.533 -3.602 -17.468 11 HA THR 2 HA THR 2 -10.650 -5.216 -19.036 12 HB THR 2 HB THR 2 -12.159 -5.949 -16.518 13 HG1 THR 2 HG1 THR 2 -10.599 -4.797 -15.660 14 HG21 THR 2 1HG2 THR 2 -10.514 -7.845 -16.470 15 HG22 THR 2 2HG2 THR 2 -10.059 -7.410 -18.117 16 HG23 THR 2 3HG2 THR 2 -11.705 -7.938 -17.766 17 H PHE 3 H PHE 3 -11.464 -6.161 -20.779 18 HA PHE 3 HA PHE 3 -14.245 -7.131 -20.683 19 HB2 PHE 3 2HB PHE 3 -12.659 -5.890 -22.911 20 HB3 PHE 3 3HB PHE 3 -14.014 -6.956 -23.268 21 HD1 PHE 3 HD1 PHE 3 -16.244 -6.372 -22.023 22 HD2 PHE 3 HD2 PHE 3 -13.045 -3.639 -22.666 23 HE1 PHE 3 HE1 PHE 3 -17.802 -4.488 -21.739 24 HE2 PHE 3 HE2 PHE 3 -14.597 -1.750 -22.382 25 HZ PHE 3 HZ PHE 3 -16.978 -2.174 -21.917 26 H LYS 4 H LYS 4 -14.704 -9.061 -21.945 27 HA LYS 4 HA LYS 4 -12.360 -10.835 -22.157 28 HB2 LYS 4 2HB LYS 4 -13.973 -11.337 -20.276 29 HB3 LYS 4 3HB LYS 4 -15.179 -11.699 -21.504 30 HG2 LYS 4 2HG LYS 4 -13.977 -13.567 -22.283 31 HG3 LYS 4 3HG LYS 4 -12.522 -13.092 -21.405 32 HD2 LYS 4 2HD LYS 4 -15.069 -13.691 -19.944 33 HD3 LYS 4 3HD LYS 4 -13.989 -14.994 -20.449 34 HE2 LYS 4 2HE LYS 4 -12.170 -14.016 -19.188 35 HE3 LYS 4 3HE LYS 4 -13.173 -12.631 -18.760 36 HZ1 LYS 4 1HZ LYS 4 -13.854 -13.751 -16.995 37 HZ2 LYS 4 2HZ LYS 4 -12.961 -15.113 -17.454 38 HZ3 LYS 4 3HZ LYS 4 -14.553 -14.923 -17.995 39 H ALA 5 H ALA 5 -12.435 -12.473 -23.792 40 HA ALA 5 HA ALA 5 -14.400 -12.013 -25.928 41 HB1 ALA 5 1HB ALA 5 -12.798 -11.832 -27.606 42 HB2 ALA 5 2HB ALA 5 -12.129 -10.860 -26.294 43 HB3 ALA 5 3HB ALA 5 -11.516 -12.487 -26.587 44 H ILE 6 H ILE 6 -15.420 -13.854 -26.325 45 HA ILE 6 HA ILE 6 -13.968 -16.387 -25.933 46 HB ILE 6 HB ILE 6 -15.952 -16.036 -24.466 47 HG12 ILE 6 2HG1 ILE 6 -17.033 -18.250 -25.037 48 HG13 ILE 6 3HG1 ILE 6 -16.029 -18.284 -26.483 49 HG21 ILE 6 1HG2 ILE 6 -17.285 -14.753 -26.103 50 HG22 ILE 6 2HG2 ILE 6 -17.525 -16.235 -27.029 51 HG23 ILE 6 3HG2 ILE 6 -18.178 -16.100 -25.396 52 HD11 ILE 6 1HD1 ILE 6 -15.022 -19.624 -24.767 53 HD12 ILE 6 2HD1 ILE 6 -14.028 -18.193 -25.044 54 HD13 ILE 6 3HD1 ILE 6 -15.078 -18.277 -23.630 55 H ILE 7 H ILE 7 -13.961 -17.920 -27.524 56 HA ILE 7 HA ILE 7 -14.988 -17.053 -30.138 57 HB ILE 7 HB ILE 7 -12.926 -19.192 -29.609 58 HG12 ILE 7 2HG1 ILE 7 -12.104 -17.026 -28.809 59 HG13 ILE 7 3HG1 ILE 7 -11.247 -17.519 -30.265 60 HG21 ILE 7 1HG2 ILE 7 -12.718 -17.927 -32.155 61 HG22 ILE 7 2HG2 ILE 7 -13.063 -19.615 -31.782 62 HG23 ILE 7 3HG2 ILE 7 -14.384 -18.454 -31.913 63 HD11 ILE 7 1HD1 ILE 7 -11.705 -15.523 -31.097 64 HD12 ILE 7 2HD1 ILE 7 -13.399 -16.007 -31.172 65 HD13 ILE 7 3HD1 ILE 7 -12.789 -15.149 -29.757 66 H ASN 8 H ASN 8 -16.490 -18.206 -31.195 67 HA ASN 8 HA ASN 8 -17.431 -20.687 -29.928 68 HB2 ASN 8 2HB ASN 8 -18.973 -19.036 -31.925 69 HB3 ASN 8 3HB ASN 8 -19.592 -20.237 -30.795 70 HD21 ASN 8 1HD2 ASN 8 -20.483 -17.540 -31.126 71 HD22 ASN 8 2HD2 ASN 8 -20.234 -16.734 -29.618 72 H GLY 9 H GLY 9 -16.882 -22.514 -30.906 73 HA2 GLY 9 2HA GLY 9 -17.127 -22.777 -33.777 74 HA3 GLY 9 3HA GLY 9 -15.479 -22.901 -33.180 75 H LYS 10 H LYS 10 -16.886 -24.959 -34.532 76 HA LYS 10 HA LYS 10 -17.550 -26.894 -32.444 77 HB2 LYS 10 2HB LYS 10 -18.929 -26.526 -34.594 78 HB3 LYS 10 3HB LYS 10 -17.645 -27.410 -35.407 79 HG2 LYS 10 2HG LYS 10 -19.257 -29.024 -34.947 80 HG3 LYS 10 3HG LYS 10 -18.053 -29.242 -33.674 81 HD2 LYS 10 2HD LYS 10 -19.419 -28.052 -32.098 82 HD3 LYS 10 3HD LYS 10 -20.569 -27.610 -33.362 83 HE2 LYS 10 2HE LYS 10 -19.960 -30.453 -32.577 84 HE3 LYS 10 3HE LYS 10 -21.277 -29.511 -31.881 85 HZ1 LYS 10 1HZ LYS 10 -22.448 -29.534 -33.830 86 HZ2 LYS 10 2HZ LYS 10 -21.697 -31.046 -33.918 87 HZ3 LYS 10 3HZ LYS 10 -21.079 -29.742 -34.801 88 H THR 11 H THR 11 -15.154 -26.238 -34.912 89 HA THR 11 HA THR 11 -13.822 -28.769 -34.639 90 HB THR 11 HB THR 11 -11.974 -27.570 -35.935 91 HG1 THR 11 HG1 THR 11 -12.740 -25.428 -35.309 92 HG21 THR 11 1HG2 THR 11 -13.045 -28.701 -37.538 93 HG22 THR 11 2HG2 THR 11 -13.941 -27.219 -37.869 94 HG23 THR 11 3HG2 THR 11 -14.611 -28.428 -36.775 95 H LEU 12 H LEU 12 -13.319 -25.487 -33.428 96 HA LEU 12 HA LEU 12 -11.906 -26.432 -31.142 97 HB2 LEU 12 2HB LEU 12 -10.070 -26.629 -32.670 98 HB3 LEU 12 3HB LEU 12 -10.363 -25.011 -33.303 99 HG LEU 12 HG LEU 12 -9.710 -24.080 -31.098 100 HD11 LEU 12 1HD1 LEU 12 -9.919 -26.805 -30.315 101 HD12 LEU 12 2HD1 LEU 12 -9.579 -25.390 -29.318 102 HD13 LEU 12 3HD1 LEU 12 -8.254 -26.278 -30.069 103 HD21 LEU 12 1HD2 LEU 12 -7.855 -25.700 -32.781 104 HD22 LEU 12 2HD2 LEU 12 -7.242 -24.924 -31.320 105 HD23 LEU 12 3HD2 LEU 12 -7.972 -23.950 -32.596 106 H LYS 13 H LYS 13 -12.154 -25.023 -29.516 107 HA LYS 13 HA LYS 13 -13.164 -22.343 -30.186 108 HB2 LYS 13 2HB LYS 13 -13.631 -24.199 -27.880 109 HB3 LYS 13 3HB LYS 13 -13.854 -22.467 -27.661 110 HG2 LYS 13 2HG LYS 13 -15.637 -22.381 -29.142 111 HG3 LYS 13 3HG LYS 13 -15.193 -23.902 -29.918 112 HD2 LYS 13 2HD LYS 13 -17.107 -24.348 -28.583 113 HD3 LYS 13 3HD LYS 13 -15.724 -25.041 -27.734 114 HE2 LYS 13 2HE LYS 13 -17.018 -23.934 -26.095 115 HE3 LYS 13 3HE LYS 13 -15.626 -22.897 -26.403 116 HZ1 LYS 13 1HZ LYS 13 -16.923 -21.401 -27.613 117 HZ2 LYS 13 2HZ LYS 13 -17.888 -21.793 -26.281 118 HZ3 LYS 13 3HZ LYS 13 -18.206 -22.491 -27.789 119 H GLY 14 H GLY 14 -12.689 -20.713 -28.327 120 HA2 GLY 14 2HA GLY 14 -10.009 -21.075 -27.211 121 HA3 GLY 14 3HA GLY 14 -10.242 -19.742 -28.332 122 H GLU 15 H GLU 15 -9.370 -18.943 -26.016 123 HA GLU 15 HA GLU 15 -11.558 -17.429 -24.934 124 HB2 GLU 15 2HB GLU 15 -11.588 -19.665 -23.704 125 HB3 GLU 15 3HB GLU 15 -10.055 -19.178 -22.995 126 HG2 GLU 15 2HG GLU 15 -12.531 -17.497 -22.788 127 HG3 GLU 15 3HG GLU 15 -12.135 -18.759 -21.622 128 H THR 16 H THR 16 -10.757 -15.453 -24.774 129 HA THR 16 HA THR 16 -8.131 -15.057 -23.552 130 HB THR 16 HB THR 16 -8.691 -13.378 -25.941 131 HG1 THR 16 HG1 THR 16 -8.162 -14.934 -27.362 132 HG21 THR 16 1HG2 THR 16 -6.111 -14.013 -26.099 133 HG22 THR 16 2HG2 THR 16 -6.354 -14.352 -24.385 134 HG23 THR 16 3HG2 THR 16 -6.697 -12.745 -25.024 135 H THR 17 H THR 17 -7.732 -12.676 -23.142 136 HA THR 17 HA THR 17 -10.256 -11.248 -22.634 137 HB THR 17 HB THR 17 -8.893 -10.352 -20.548 138 HG1 THR 17 HG1 THR 17 -7.827 -12.396 -19.698 139 HG21 THR 17 1HG2 THR 17 -11.064 -11.441 -20.408 140 HG22 THR 17 2HG2 THR 17 -9.988 -12.074 -19.162 141 HG23 THR 17 3HG2 THR 17 -10.308 -13.019 -20.616 142 H THR 18 H THR 18 -10.174 -9.002 -22.742 143 HA THR 18 HA THR 18 -7.628 -7.788 -23.548 144 HB THR 18 HB THR 18 -10.072 -6.907 -25.007 145 HG1 THR 18 HG1 THR 18 -8.571 -9.241 -25.667 146 HG21 THR 18 1HG2 THR 18 -7.770 -7.235 -26.636 147 HG22 THR 18 2HG2 THR 18 -7.262 -6.474 -25.129 148 HG23 THR 18 3HG2 THR 18 -8.531 -5.736 -26.106 149 H GLU 19 H GLU 19 -7.253 -5.893 -22.581 150 HA GLU 19 HA GLU 19 -9.532 -4.489 -21.350 151 HB2 GLU 19 2HB GLU 19 -7.978 -3.794 -19.541 152 HB3 GLU 19 3HB GLU 19 -8.251 -5.530 -19.595 153 HG2 GLU 19 2HG GLU 19 -6.098 -5.648 -20.960 154 HG3 GLU 19 3HG GLU 19 -5.814 -3.994 -20.417 155 H ALA 20 H ALA 20 -9.859 -2.615 -22.333 156 HA ALA 20 HA ALA 20 -7.543 -0.939 -22.995 157 HB1 ALA 20 1HB ALA 20 -8.132 -1.991 -25.077 158 HB2 ALA 20 2HB ALA 20 -9.827 -1.549 -24.866 159 HB3 ALA 20 3HB ALA 20 -8.615 -0.296 -25.133 160 H VAL 21 H VAL 21 -8.597 1.286 -23.896 161 HA VAL 21 HA VAL 21 -10.299 2.192 -21.692 162 HB VAL 21 HB VAL 21 -8.836 3.887 -23.716 163 HG11 VAL 21 1HG1 VAL 21 -9.349 4.997 -21.079 164 HG12 VAL 21 2HG1 VAL 21 -9.682 5.672 -22.675 165 HG13 VAL 21 3HG1 VAL 21 -10.829 4.558 -21.931 166 HG21 VAL 21 1HG2 VAL 21 -7.160 2.655 -22.573 167 HG22 VAL 21 2HG2 VAL 21 -7.209 4.252 -21.827 168 HG23 VAL 21 3HG2 VAL 21 -7.962 2.877 -21.018 169 H ASP 22 H ASP 22 -10.067 2.419 -25.232 170 HA ASP 22 HA ASP 22 -12.927 3.126 -25.291 171 HB2 ASP 22 2HB ASP 22 -10.717 3.785 -27.246 172 HB3 ASP 22 3HB ASP 22 -12.425 4.071 -27.567 173 H ALA 23 H ALA 23 -14.119 2.334 -27.209 174 HA ALA 23 HA ALA 23 -13.805 -0.471 -27.487 175 HB1 ALA 23 1HB ALA 23 -15.652 1.576 -28.600 176 HB2 ALA 23 2HB ALA 23 -15.580 -0.004 -29.380 177 HB3 ALA 23 3HB ALA 23 -16.006 0.118 -27.673 178 H ALA 24 H ALA 24 -12.639 2.242 -29.282 179 HA ALA 24 HA ALA 24 -12.102 0.780 -31.701 180 HB1 ALA 24 1HB ALA 24 -11.051 2.795 -32.486 181 HB2 ALA 24 2HB ALA 24 -12.560 3.216 -31.675 182 HB3 ALA 24 3HB ALA 24 -11.020 3.462 -30.853 183 H THR 25 H THR 25 -10.351 1.648 -28.795 184 HA THR 25 HA THR 25 -7.736 1.165 -29.638 185 HB THR 25 HB THR 25 -8.932 0.688 -26.901 186 HG1 THR 25 HG1 THR 25 -7.713 2.941 -28.137 187 HG21 THR 25 1HG2 THR 25 -6.049 1.023 -27.740 188 HG22 THR 25 2HG2 THR 25 -6.793 -0.466 -27.156 189 HG23 THR 25 3HG2 THR 25 -6.631 0.921 -26.079 190 H ALA 26 H ALA 26 -10.169 -1.064 -28.352 191 HA ALA 26 HA ALA 26 -8.392 -3.331 -28.503 192 HB1 ALA 26 1HB ALA 26 -11.157 -2.842 -27.576 193 HB2 ALA 26 2HB ALA 26 -10.780 -4.475 -28.129 194 HB3 ALA 26 3HB ALA 26 -9.847 -3.749 -26.820 195 H GLU 27 H GLU 27 -10.669 -1.759 -30.570 196 HA GLU 27 HA GLU 27 -11.378 -3.900 -32.245 197 HB2 GLU 27 2HB GLU 27 -11.378 -0.932 -32.478 198 HB3 GLU 27 3HB GLU 27 -11.528 -1.864 -33.961 199 HG2 GLU 27 2HG GLU 27 -13.289 -2.539 -31.662 200 HG3 GLU 27 3HG GLU 27 -13.640 -1.100 -32.617 201 H LYS 28 H LYS 28 -8.748 -1.524 -32.491 202 HA LYS 28 HA LYS 28 -7.663 -2.269 -34.917 203 HB2 LYS 28 2HB LYS 28 -5.667 -1.192 -34.242 204 HB3 LYS 28 3HB LYS 28 -6.965 -0.347 -33.411 205 HG2 LYS 28 2HG LYS 28 -6.389 -2.109 -31.515 206 HG3 LYS 28 3HG LYS 28 -4.819 -2.076 -32.324 207 HD2 LYS 28 2HD LYS 28 -6.268 0.420 -31.462 208 HD3 LYS 28 3HD LYS 28 -5.132 -0.438 -30.417 209 HE2 LYS 28 2HE LYS 28 -3.350 -0.102 -32.005 210 HE3 LYS 28 3HE LYS 28 -4.469 0.608 -33.167 211 HZ1 LYS 28 1HZ LYS 28 -4.905 2.341 -31.399 212 HZ2 LYS 28 2HZ LYS 28 -3.392 2.402 -32.150 213 HZ3 LYS 28 3HZ LYS 28 -3.539 1.745 -30.599 214 H VAL 29 H VAL 29 -7.451 -3.873 -31.823 215 HA VAL 29 HA VAL 29 -5.384 -5.701 -32.690 216 HB VAL 29 HB VAL 29 -7.102 -5.865 -30.212 217 HG11 VAL 29 1HG1 VAL 29 -4.572 -7.223 -31.091 218 HG12 VAL 29 2HG1 VAL 29 -5.025 -7.106 -29.389 219 HG13 VAL 29 3HG1 VAL 29 -6.077 -7.949 -30.526 220 HG21 VAL 29 1HG2 VAL 29 -4.766 -4.961 -29.285 221 HG22 VAL 29 2HG2 VAL 29 -4.746 -4.200 -30.876 222 HG23 VAL 29 3HG2 VAL 29 -6.080 -3.887 -29.766 223 H PHE 30 H PHE 30 -8.867 -5.641 -32.439 224 HA PHE 30 HA PHE 30 -9.267 -8.444 -32.732 225 HB2 PHE 30 2HB PHE 30 -11.015 -6.021 -32.930 226 HB3 PHE 30 3HB PHE 30 -11.620 -7.570 -33.506 227 HD1 PHE 30 HD1 PHE 30 -11.766 -5.464 -30.848 228 HD2 PHE 30 HD2 PHE 30 -10.922 -9.547 -31.701 229 HE1 PHE 30 HE1 PHE 30 -12.387 -6.070 -28.546 230 HE2 PHE 30 HE2 PHE 30 -11.542 -10.160 -29.401 231 HZ PHE 30 HZ PHE 30 -12.277 -8.421 -27.820 232 H LYS 31 H LYS 31 -8.955 -5.755 -34.957 233 HA LYS 31 HA LYS 31 -9.809 -7.189 -37.273 234 HB2 LYS 31 2HB LYS 31 -8.831 -5.276 -38.519 235 HB3 LYS 31 3HB LYS 31 -9.945 -4.777 -37.252 236 HG2 LYS 31 2HG LYS 31 -8.289 -3.864 -35.962 237 HG3 LYS 31 3HG LYS 31 -7.038 -4.914 -36.631 238 HD2 LYS 31 2HD LYS 31 -6.645 -2.706 -37.450 239 HD3 LYS 31 3HD LYS 31 -7.268 -3.670 -38.791 240 HE2 LYS 31 2HE LYS 31 -8.513 -1.746 -38.999 241 HE3 LYS 31 3HE LYS 31 -9.578 -2.743 -38.009 242 HZ1 LYS 31 1HZ LYS 31 -9.048 -1.544 -36.102 243 HZ2 LYS 31 2HZ LYS 31 -9.192 -0.348 -37.289 244 HZ3 LYS 31 3HZ LYS 31 -7.660 -0.858 -36.784 245 H GLN 32 H GLN 32 -6.818 -6.872 -35.554 246 HA GLN 32 HA GLN 32 -5.122 -7.727 -37.694 247 HB2 GLN 32 2HB GLN 32 -4.324 -6.385 -35.758 248 HB3 GLN 32 3HB GLN 32 -4.592 -7.777 -34.718 249 HG2 GLN 32 2HG GLN 32 -3.014 -8.979 -36.416 250 HG3 GLN 32 3HG GLN 32 -2.504 -7.335 -36.794 251 HE21 GLN 32 1HE2 GLN 32 -1.176 -9.660 -35.441 252 HE22 GLN 32 2HE2 GLN 32 -0.575 -9.012 -33.957 253 H TYR 33 H TYR 33 -6.922 -9.307 -35.149 254 HA TYR 33 HA TYR 33 -5.667 -11.807 -35.172 255 HB2 TYR 33 2HB TYR 33 -8.344 -10.791 -34.356 256 HB3 TYR 33 3HB TYR 33 -8.161 -12.531 -34.549 257 HD1 TYR 33 HD1 TYR 33 -8.123 -10.039 -32.195 258 HD2 TYR 33 HD2 TYR 33 -5.783 -13.366 -33.445 259 HE1 TYR 33 HE1 TYR 33 -7.130 -10.177 -29.950 260 HE2 TYR 33 HE2 TYR 33 -4.784 -13.513 -31.202 261 HH TYR 33 HH TYR 33 -4.778 -12.710 -29.133 262 H PHE 34 H PHE 34 -7.965 -10.363 -37.354 263 HA PHE 34 HA PHE 34 -9.018 -12.581 -38.629 264 HB2 PHE 34 2HB PHE 34 -8.377 -9.803 -39.565 265 HB3 PHE 34 3HB PHE 34 -8.990 -10.998 -40.703 266 HD1 PHE 34 HD1 PHE 34 -11.026 -12.427 -39.403 267 HD2 PHE 34 HD2 PHE 34 -10.002 -8.322 -38.941 268 HE1 PHE 34 HE1 PHE 34 -13.327 -11.938 -38.677 269 HE2 PHE 34 HE2 PHE 34 -12.299 -7.826 -38.214 270 HZ PHE 34 HZ PHE 34 -13.965 -9.635 -38.081 271 H ASN 35 H ASN 35 -5.892 -11.024 -39.078 272 HA ASN 35 HA ASN 35 -5.181 -12.745 -41.290 273 HB2 ASN 35 2HB ASN 35 -3.455 -10.814 -39.722 274 HB3 ASN 35 3HB ASN 35 -3.046 -11.562 -41.264 275 HD21 ASN 35 1HD2 ASN 35 -3.385 -10.372 -42.985 276 HD22 ASN 35 2HD2 ASN 35 -4.506 -9.063 -43.118 277 H ASP 36 H ASP 36 -4.796 -12.679 -37.849 278 HA ASP 36 HA ASP 36 -2.595 -14.476 -37.683 279 HB2 ASP 36 2HB ASP 36 -4.639 -13.447 -35.747 280 HB3 ASP 36 3HB ASP 36 -3.604 -14.795 -35.285 281 H ASN 37 H ASN 37 -6.111 -14.894 -37.407 282 HA ASN 37 HA ASN 37 -5.787 -17.789 -37.291 283 HB2 ASN 37 2HB ASN 37 -7.493 -16.280 -35.945 284 HB3 ASN 37 3HB ASN 37 -8.468 -16.472 -37.398 285 HD21 ASN 37 1HD2 ASN 37 -6.762 -18.233 -34.876 286 HD22 ASN 37 2HD2 ASN 37 -7.752 -19.647 -34.938 287 H GLY 38 H GLY 38 -6.488 -15.306 -39.557 288 HA2 GLY 38 2HA GLY 38 -6.915 -15.366 -41.813 289 HA3 GLY 38 3HA GLY 38 -6.379 -17.040 -41.771 290 H LEU 39 H LEU 39 -9.000 -16.193 -39.716 291 HA LEU 39 HA LEU 39 -10.855 -17.532 -41.573 292 HB2 LEU 39 2HB LEU 39 -10.194 -18.524 -39.241 293 HB3 LEU 39 3HB LEU 39 -11.360 -17.348 -38.638 294 HG LEU 39 HG LEU 39 -13.107 -18.394 -40.009 295 HD11 LEU 39 1HD1 LEU 39 -10.832 -19.700 -41.203 296 HD12 LEU 39 2HD1 LEU 39 -12.498 -19.598 -41.771 297 HD13 LEU 39 3HD1 LEU 39 -12.025 -20.877 -40.652 298 HD21 LEU 39 1HD2 LEU 39 -11.835 -20.620 -38.482 299 HD22 LEU 39 2HD2 LEU 39 -13.525 -20.120 -38.543 300 HD23 LEU 39 3HD2 LEU 39 -12.354 -19.165 -37.633 301 H ASP 40 H ASP 40 -13.042 -16.802 -41.629 302 HA ASP 40 HA ASP 40 -13.286 -13.944 -40.990 303 HB2 ASP 40 2HB ASP 40 -14.748 -15.671 -42.995 304 HB3 ASP 40 3HB ASP 40 -15.168 -13.994 -42.657 305 H GLY 41 H GLY 41 -13.819 -14.349 -38.772 306 HA2 GLY 41 2HA GLY 41 -16.391 -15.685 -38.303 307 HA3 GLY 41 3HA GLY 41 -15.209 -15.266 -37.071 308 H GLU 42 H GLU 42 -17.964 -14.702 -36.879 309 HA GLU 42 HA GLU 42 -18.086 -11.795 -37.282 310 HB2 GLU 42 2HB GLU 42 -20.351 -13.656 -36.553 311 HB3 GLU 42 3HB GLU 42 -20.478 -11.979 -37.064 312 HG2 GLU 42 2HG GLU 42 -19.530 -12.643 -39.264 313 HG3 GLU 42 3HG GLU 42 -19.604 -14.322 -38.734 314 H TRP 43 H TRP 43 -17.450 -10.651 -35.584 315 HA TRP 43 HA TRP 43 -17.515 -11.740 -32.914 316 HB2 TRP 43 2HB TRP 43 -16.376 -9.340 -34.229 317 HB3 TRP 43 3HB TRP 43 -16.793 -9.169 -32.526 318 HD1 TRP 43 HD1 TRP 43 -14.953 -9.866 -30.893 319 HE1 TRP 43 HE1 TRP 43 -12.828 -11.314 -31.016 320 HE3 TRP 43 HE3 TRP 43 -15.443 -11.624 -35.669 321 HZ2 TRP 43 HZ2 TRP 43 -11.530 -12.979 -32.891 322 HZ3 TRP 43 HZ3 TRP 43 -13.717 -13.138 -36.552 323 HH2 TRP 43 HH2 TRP 43 -11.801 -13.800 -35.189 324 H THR 44 H THR 44 -18.819 -11.137 -31.233 325 HA THR 44 HA THR 44 -20.949 -9.190 -31.806 326 HB THR 44 HB THR 44 -21.608 -11.551 -30.110 327 HG1 THR 44 HG1 THR 44 -21.883 -12.870 -31.820 328 HG21 THR 44 1HG2 THR 44 -23.046 -9.608 -31.872 329 HG22 THR 44 2HG2 THR 44 -23.372 -10.057 -30.197 330 HG23 THR 44 3HG2 THR 44 -23.784 -11.166 -31.505 331 H TYR 45 H TYR 45 -22.100 -8.504 -29.772 332 HA TYR 45 HA TYR 45 -20.186 -8.346 -27.536 333 HB2 TYR 45 2HB TYR 45 -21.353 -6.120 -27.052 334 HB3 TYR 45 3HB TYR 45 -20.276 -6.171 -28.443 335 HD1 TYR 45 HD1 TYR 45 -21.210 -6.207 -30.732 336 HD2 TYR 45 HD2 TYR 45 -23.701 -5.740 -27.314 337 HE1 TYR 45 HE1 TYR 45 -23.027 -5.388 -32.174 338 HE2 TYR 45 HE2 TYR 45 -25.525 -4.922 -28.747 339 HH TYR 45 HH TYR 45 -26.190 -5.178 -31.206 340 H ASP 46 H ASP 46 -20.870 -9.427 -25.822 341 HA ASP 46 HA ASP 46 -23.763 -9.715 -25.382 342 HB2 ASP 46 2HB ASP 46 -21.427 -11.379 -24.428 343 HB3 ASP 46 3HB ASP 46 -23.082 -11.612 -23.869 344 H ASP 47 H ASP 47 -23.954 -7.629 -24.417 345 HA ASP 47 HA ASP 47 -22.461 -6.679 -22.267 346 HB2 ASP 47 2HB ASP 47 -24.356 -5.565 -23.717 347 HB3 ASP 47 3HB ASP 47 -25.397 -6.119 -22.409 348 H ALA 48 H ALA 48 -24.901 -9.123 -22.389 349 HA ALA 48 HA ALA 48 -25.903 -9.153 -19.819 350 HB1 ALA 48 1HB ALA 48 -25.888 -11.745 -20.216 351 HB2 ALA 48 2HB ALA 48 -26.919 -10.692 -21.186 352 HB3 ALA 48 3HB ALA 48 -25.391 -11.279 -21.844 353 H THR 49 H THR 49 -22.803 -10.335 -20.995 354 HA THR 49 HA THR 49 -21.953 -10.677 -18.200 355 HB THR 49 HB THR 49 -20.628 -12.631 -18.783 356 HG1 THR 49 HG1 THR 49 -21.618 -12.090 -21.383 357 HG21 THR 49 1HG2 THR 49 -22.519 -14.199 -19.426 358 HG22 THR 49 2HG2 THR 49 -23.538 -12.765 -19.549 359 HG23 THR 49 3HG2 THR 49 -22.795 -13.189 -18.008 360 H LYS 50 H LYS 50 -21.612 -8.718 -20.605 361 HA LYS 50 HA LYS 50 -19.983 -7.387 -21.484 362 HB2 LYS 50 2HB LYS 50 -18.808 -8.069 -18.791 363 HB3 LYS 50 3HB LYS 50 -18.070 -6.902 -19.880 364 HG2 LYS 50 2HG LYS 50 -19.305 -5.503 -18.579 365 HG3 LYS 50 3HG LYS 50 -20.481 -5.848 -19.849 366 HD2 LYS 50 2HD LYS 50 -21.457 -7.613 -18.436 367 HD3 LYS 50 3HD LYS 50 -20.303 -7.212 -17.161 368 HE2 LYS 50 2HE LYS 50 -22.548 -6.200 -16.835 369 HE3 LYS 50 3HE LYS 50 -21.243 -5.017 -16.922 370 HZ1 LYS 50 1HZ LYS 50 -22.568 -5.669 -19.429 371 HZ2 LYS 50 2HZ LYS 50 -22.009 -4.180 -18.855 372 HZ3 LYS 50 3HZ LYS 50 -23.485 -4.796 -18.307 373 H THR 51 H THR 51 -19.860 -9.773 -22.667 374 HA THR 51 HA THR 51 -16.976 -10.179 -23.016 375 HB THR 51 HB THR 51 -18.969 -12.450 -22.883 376 HG1 THR 51 HG1 THR 51 -18.582 -11.795 -20.799 377 HG21 THR 51 1HG2 THR 51 -16.181 -12.217 -23.782 378 HG22 THR 51 2HG2 THR 51 -17.397 -13.436 -24.164 379 HG23 THR 51 3HG2 THR 51 -16.485 -13.541 -22.659 380 H PHE 52 H PHE 52 -16.333 -10.778 -25.096 381 HA PHE 52 HA PHE 52 -18.287 -10.143 -27.167 382 HB2 PHE 52 2HB PHE 52 -15.334 -10.647 -27.541 383 HB3 PHE 52 3HB PHE 52 -16.430 -9.805 -28.630 384 HD1 PHE 52 HD1 PHE 52 -13.812 -9.270 -26.544 385 HD2 PHE 52 HD2 PHE 52 -17.757 -7.823 -27.220 386 HE1 PHE 52 HE1 PHE 52 -13.204 -7.130 -25.490 387 HE2 PHE 52 HE2 PHE 52 -17.156 -5.681 -26.169 388 HZ PHE 52 HZ PHE 52 -14.877 -5.332 -25.303 389 H THR 53 H THR 53 -19.405 -11.755 -28.025 390 HA THR 53 HA THR 53 -18.292 -14.456 -28.044 391 HB THR 53 HB THR 53 -20.758 -14.772 -29.112 392 HG1 THR 53 HG1 THR 53 -22.153 -13.286 -28.304 393 HG21 THR 53 1HG2 THR 53 -19.867 -15.958 -27.167 394 HG22 THR 53 2HG2 THR 53 -21.505 -15.381 -26.857 395 HG23 THR 53 3HG2 THR 53 -20.125 -14.527 -26.169 396 H VAL 54 H VAL 54 -17.246 -15.155 -29.777 397 HA VAL 54 HA VAL 54 -17.694 -13.858 -32.359 398 HB VAL 54 HB VAL 54 -15.588 -15.904 -31.661 399 HG11 VAL 54 1HG1 VAL 54 -14.518 -14.465 -33.634 400 HG12 VAL 54 2HG1 VAL 54 -15.530 -15.879 -33.933 401 HG13 VAL 54 3HG1 VAL 54 -16.221 -14.261 -34.043 402 HG21 VAL 54 1HG2 VAL 54 -14.072 -13.887 -31.553 403 HG22 VAL 54 2HG2 VAL 54 -15.531 -12.899 -31.474 404 HG23 VAL 54 3HG2 VAL 54 -15.191 -14.077 -30.205 405 H THR 55 H THR 55 -19.425 -14.724 -33.355 406 HA THR 55 HA THR 55 -19.716 -17.643 -33.411 407 HB THR 55 HB THR 55 -21.688 -15.536 -34.315 408 HG1 THR 55 HG1 THR 55 -22.666 -15.846 -32.344 409 HG21 THR 55 1HG2 THR 55 -23.201 -17.667 -33.875 410 HG22 THR 55 2HG2 THR 55 -21.701 -18.511 -34.257 411 HG23 THR 55 3HG2 THR 55 -22.412 -17.401 -35.429 412 H GLU 56 H GLU 56 -18.443 -18.425 -35.005 413 HA GLU 56 HA GLU 56 -17.992 -17.083 -37.473 414 HB2 GLU 56 2HB GLU 56 -17.449 -19.902 -36.549 415 HB3 GLU 56 3HB GLU 56 -17.027 -19.334 -38.158 416 HG2 GLU 56 2HG GLU 56 -15.359 -17.965 -37.391 417 HG3 GLU 56 3HG GLU 56 -16.087 -17.790 -35.796 Start of MODEL 9 1 H1 MET 1 H MET 1 -9.590 -0.509 -19.928 2 HA MET 1 HA MET 1 -11.456 -1.713 -18.002 3 HB2 MET 1 2HB MET 1 -12.055 -0.769 -20.801 4 HB3 MET 1 3HB MET 1 -13.071 -1.934 -19.962 5 HG2 MET 1 2HG MET 1 -14.178 -0.028 -19.438 6 HG3 MET 1 3HG MET 1 -13.048 -0.083 -18.087 7 HE1 MET 1 1HE MET 1 -14.292 2.788 -18.543 8 HE2 MET 1 2HE MET 1 -13.827 3.582 -20.048 9 HE3 MET 1 3HE MET 1 -14.792 2.106 -20.091 10 H THR 2 H THR 2 -11.720 -3.903 -18.147 11 HA THR 2 HA THR 2 -10.056 -5.278 -20.156 12 HB THR 2 HB THR 2 -10.762 -6.193 -17.361 13 HG1 THR 2 HG1 THR 2 -8.842 -5.448 -16.816 14 HG21 THR 2 1HG2 THR 2 -9.054 -7.503 -19.480 15 HG22 THR 2 2HG2 THR 2 -10.616 -8.080 -18.898 16 HG23 THR 2 3HG2 THR 2 -9.224 -8.059 -17.815 17 H PHE 3 H PHE 3 -11.282 -6.147 -21.691 18 HA PHE 3 HA PHE 3 -13.929 -7.200 -20.974 19 HB2 PHE 3 2HB PHE 3 -12.801 -6.532 -23.702 20 HB3 PHE 3 3HB PHE 3 -14.443 -7.072 -23.370 21 HD1 PHE 3 HD1 PHE 3 -12.473 -4.289 -24.000 22 HD2 PHE 3 HD2 PHE 3 -15.683 -5.588 -21.526 23 HE1 PHE 3 HE1 PHE 3 -13.171 -1.951 -23.686 24 HE2 PHE 3 HE2 PHE 3 -16.387 -3.252 -21.208 25 HZ PHE 3 HZ PHE 3 -15.131 -1.429 -22.290 26 H LYS 4 H LYS 4 -14.605 -9.123 -22.391 27 HA LYS 4 HA LYS 4 -12.372 -11.044 -22.514 28 HB2 LYS 4 2HB LYS 4 -13.813 -11.624 -20.673 29 HB3 LYS 4 3HB LYS 4 -15.243 -11.484 -21.687 30 HG2 LYS 4 2HG LYS 4 -14.758 -13.800 -21.353 31 HG3 LYS 4 3HG LYS 4 -14.414 -13.392 -23.035 32 HD2 LYS 4 2HD LYS 4 -12.547 -14.621 -22.488 33 HD3 LYS 4 3HD LYS 4 -11.992 -12.986 -22.123 34 HE2 LYS 4 2HE LYS 4 -11.369 -14.455 -20.319 35 HE3 LYS 4 3HE LYS 4 -12.618 -13.345 -19.757 36 HZ1 LYS 4 1HZ LYS 4 -12.661 -16.064 -19.539 37 HZ2 LYS 4 2HZ LYS 4 -13.717 -15.757 -20.824 38 HZ3 LYS 4 3HZ LYS 4 -13.980 -15.027 -19.320 39 H ALA 5 H ALA 5 -12.357 -12.550 -24.196 40 HA ALA 5 HA ALA 5 -14.307 -12.089 -26.354 41 HB1 ALA 5 1HB ALA 5 -12.690 -11.212 -27.601 42 HB2 ALA 5 2HB ALA 5 -11.462 -11.618 -26.402 43 HB3 ALA 5 3HB ALA 5 -11.932 -12.804 -27.619 44 H ILE 6 H ILE 6 -15.344 -13.894 -26.857 45 HA ILE 6 HA ILE 6 -13.976 -16.470 -26.433 46 HB ILE 6 HB ILE 6 -15.918 -16.077 -24.923 47 HG12 ILE 6 2HG1 ILE 6 -17.111 -18.255 -25.579 48 HG13 ILE 6 3HG1 ILE 6 -16.000 -18.313 -26.943 49 HG21 ILE 6 1HG2 ILE 6 -18.162 -16.062 -25.799 50 HG22 ILE 6 2HG2 ILE 6 -17.246 -14.749 -26.534 51 HG23 ILE 6 3HG2 ILE 6 -17.558 -16.224 -27.447 52 HD11 ILE 6 1HD1 ILE 6 -15.504 -18.768 -24.070 53 HD12 ILE 6 2HD1 ILE 6 -14.812 -19.561 -25.487 54 HD13 ILE 6 3HD1 ILE 6 -14.226 -17.972 -24.990 55 H ILE 7 H ILE 7 -13.912 -17.909 -28.074 56 HA ILE 7 HA ILE 7 -15.172 -17.092 -30.607 57 HB ILE 7 HB ILE 7 -12.804 -18.935 -30.295 58 HG12 ILE 7 2HG1 ILE 7 -12.211 -16.715 -29.462 59 HG13 ILE 7 3HG1 ILE 7 -11.423 -17.019 -31.006 60 HG21 ILE 7 1HG2 ILE 7 -13.653 -19.389 -32.378 61 HG22 ILE 7 2HG2 ILE 7 -14.284 -17.758 -32.597 62 HG23 ILE 7 3HG2 ILE 7 -12.554 -18.063 -32.755 63 HD11 ILE 7 1HD1 ILE 7 -13.345 -15.741 -32.059 64 HD12 ILE 7 2HD1 ILE 7 -13.747 -15.223 -30.421 65 HD13 ILE 7 3HD1 ILE 7 -12.180 -14.813 -31.117 66 H ASN 8 H ASN 8 -16.784 -18.306 -31.327 67 HA ASN 8 HA ASN 8 -17.411 -20.819 -30.057 68 HB2 ASN 8 2HB ASN 8 -18.772 -19.351 -32.328 69 HB3 ASN 8 3HB ASN 8 -19.408 -20.783 -31.526 70 HD21 ASN 8 1HD2 ASN 8 -21.163 -19.026 -31.367 71 HD22 ASN 8 2HD2 ASN 8 -21.170 -18.121 -29.895 72 H GLY 9 H GLY 9 -16.348 -22.598 -30.639 73 HA2 GLY 9 2HA GLY 9 -15.991 -23.100 -33.526 74 HA3 GLY 9 3HA GLY 9 -14.689 -23.410 -32.386 75 H LYS 10 H LYS 10 -16.135 -25.229 -34.214 76 HA LYS 10 HA LYS 10 -17.568 -26.987 -32.380 77 HB2 LYS 10 2HB LYS 10 -18.444 -26.526 -34.675 78 HB3 LYS 10 3HB LYS 10 -17.036 -27.349 -35.333 79 HG2 LYS 10 2HG LYS 10 -18.484 -29.084 -35.367 80 HG3 LYS 10 3HG LYS 10 -17.897 -29.275 -33.713 81 HD2 LYS 10 2HD LYS 10 -20.268 -27.537 -34.271 82 HD3 LYS 10 3HD LYS 10 -20.458 -29.289 -34.186 83 HE2 LYS 10 2HE LYS 10 -19.154 -29.058 -31.951 84 HE3 LYS 10 3HE LYS 10 -19.632 -27.363 -32.049 85 HZ1 LYS 10 1HZ LYS 10 -21.970 -28.425 -32.464 86 HZ2 LYS 10 2HZ LYS 10 -21.377 -28.230 -30.893 87 HZ3 LYS 10 3HZ LYS 10 -21.295 -29.743 -31.646 88 H THR 11 H THR 11 -14.589 -26.847 -34.237 89 HA THR 11 HA THR 11 -13.823 -29.532 -33.423 90 HB THR 11 HB THR 11 -11.859 -29.239 -34.797 91 HG1 THR 11 HG1 THR 11 -12.725 -26.532 -35.024 92 HG21 THR 11 1HG2 THR 11 -12.982 -29.528 -36.718 93 HG22 THR 11 2HG2 THR 11 -13.709 -27.922 -36.637 94 HG23 THR 11 3HG2 THR 11 -14.433 -29.265 -35.752 95 H LEU 12 H LEU 12 -12.668 -26.200 -32.973 96 HA LEU 12 HA LEU 12 -11.538 -26.987 -30.400 97 HB2 LEU 12 2HB LEU 12 -9.835 -27.031 -32.382 98 HB3 LEU 12 3HB LEU 12 -9.873 -25.279 -32.195 99 HG LEU 12 HG LEU 12 -9.115 -27.228 -30.020 100 HD11 LEU 12 1HD1 LEU 12 -7.128 -25.391 -31.194 101 HD12 LEU 12 2HD1 LEU 12 -7.617 -26.759 -32.194 102 HD13 LEU 12 3HD1 LEU 12 -6.941 -27.037 -30.590 103 HD21 LEU 12 1HD2 LEU 12 -9.830 -25.359 -28.885 104 HD22 LEU 12 2HD2 LEU 12 -9.358 -24.257 -30.180 105 HD23 LEU 12 3HD2 LEU 12 -8.127 -24.976 -29.140 106 H LYS 13 H LYS 13 -12.426 -25.650 -28.982 107 HA LYS 13 HA LYS 13 -13.243 -22.975 -29.807 108 HB2 LYS 13 2HB LYS 13 -14.896 -24.239 -28.594 109 HB3 LYS 13 3HB LYS 13 -13.758 -24.575 -27.296 110 HG2 LYS 13 2HG LYS 13 -14.131 -21.728 -27.789 111 HG3 LYS 13 3HG LYS 13 -15.613 -22.565 -27.321 112 HD2 LYS 13 2HD LYS 13 -13.398 -23.429 -25.693 113 HD3 LYS 13 3HD LYS 13 -13.560 -21.672 -25.641 114 HE2 LYS 13 2HE LYS 13 -14.873 -22.737 -23.878 115 HE3 LYS 13 3HE LYS 13 -15.911 -21.901 -25.031 116 HZ1 LYS 13 1HZ LYS 13 -16.787 -24.079 -24.439 117 HZ2 LYS 13 2HZ LYS 13 -15.377 -24.822 -25.005 118 HZ3 LYS 13 3HZ LYS 13 -16.396 -24.013 -26.084 119 H GLY 14 H GLY 14 -12.254 -21.141 -29.196 120 HA2 GLY 14 2HA GLY 14 -9.920 -21.414 -27.415 121 HA3 GLY 14 3HA GLY 14 -10.095 -20.191 -28.665 122 H GLU 15 H GLU 15 -9.349 -19.165 -26.400 123 HA GLU 15 HA GLU 15 -11.537 -17.515 -25.611 124 HB2 GLU 15 2HB GLU 15 -11.309 -18.103 -23.143 125 HB3 GLU 15 3HB GLU 15 -12.186 -19.246 -24.149 126 HG2 GLU 15 2HG GLU 15 -10.419 -20.784 -24.143 127 HG3 GLU 15 3HG GLU 15 -9.271 -19.586 -23.548 128 H THR 16 H THR 16 -10.683 -15.568 -25.374 129 HA THR 16 HA THR 16 -8.112 -15.271 -24.008 130 HB THR 16 HB THR 16 -7.514 -13.506 -25.791 131 HG1 THR 16 HG1 THR 16 -9.263 -15.137 -27.341 132 HG21 THR 16 1HG2 THR 16 -6.231 -15.066 -26.987 133 HG22 THR 16 2HG2 THR 16 -7.440 -16.336 -26.797 134 HG23 THR 16 3HG2 THR 16 -6.478 -15.820 -25.412 135 H THR 17 H THR 17 -7.630 -12.807 -23.785 136 HA THR 17 HA THR 17 -10.128 -11.334 -23.298 137 HB THR 17 HB THR 17 -9.240 -10.489 -21.165 138 HG1 THR 17 HG1 THR 17 -7.153 -12.378 -21.630 139 HG21 THR 17 1HG2 THR 17 -9.759 -13.377 -21.623 140 HG22 THR 17 2HG2 THR 17 -10.651 -12.206 -20.651 141 HG23 THR 17 3HG2 THR 17 -9.151 -12.902 -20.037 142 H THR 18 H THR 18 -9.970 -9.074 -23.400 143 HA THR 18 HA THR 18 -7.411 -8.006 -24.383 144 HB THR 18 HB THR 18 -9.946 -6.906 -25.509 145 HG1 THR 18 HG1 THR 18 -10.124 -8.526 -26.974 146 HG21 THR 18 1HG2 THR 18 -7.742 -5.865 -25.952 147 HG22 THR 18 2HG2 THR 18 -8.529 -6.444 -27.420 148 HG23 THR 18 3HG2 THR 18 -7.211 -7.368 -26.704 149 H GLU 19 H GLU 19 -6.770 -6.191 -23.405 150 HA GLU 19 HA GLU 19 -8.757 -4.707 -21.811 151 HB2 GLU 19 2HB GLU 19 -6.883 -4.114 -20.293 152 HB3 GLU 19 3HB GLU 19 -7.222 -5.838 -20.336 153 HG2 GLU 19 2HG GLU 19 -5.350 -6.040 -22.013 154 HG3 GLU 19 3HG GLU 19 -4.937 -4.373 -21.617 155 H ALA 20 H ALA 20 -9.181 -2.791 -22.666 156 HA ALA 20 HA ALA 20 -6.959 -1.192 -23.729 157 HB1 ALA 20 1HB ALA 20 -9.289 -0.605 -25.252 158 HB2 ALA 20 2HB ALA 20 -7.737 -1.237 -25.805 159 HB3 ALA 20 3HB ALA 20 -9.012 -2.346 -25.298 160 H VAL 21 H VAL 21 -7.515 1.130 -23.917 161 HA VAL 21 HA VAL 21 -8.714 2.061 -21.513 162 HB VAL 21 HB VAL 21 -7.930 3.674 -23.943 163 HG11 VAL 21 1HG1 VAL 21 -9.391 4.877 -22.403 164 HG12 VAL 21 2HG1 VAL 21 -8.310 4.486 -21.062 165 HG13 VAL 21 3HG1 VAL 21 -7.755 5.536 -22.368 166 HG21 VAL 21 1HG2 VAL 21 -6.337 2.769 -21.556 167 HG22 VAL 21 2HG2 VAL 21 -5.999 2.476 -23.263 168 HG23 VAL 21 3HG2 VAL 21 -5.838 4.102 -22.599 169 H ASP 22 H ASP 22 -9.680 2.197 -24.925 170 HA ASP 22 HA ASP 22 -12.368 3.030 -24.055 171 HB2 ASP 22 2HB ASP 22 -10.771 3.622 -26.520 172 HB3 ASP 22 3HB ASP 22 -12.531 3.637 -26.604 173 H ALA 23 H ALA 23 -13.996 2.376 -25.975 174 HA ALA 23 HA ALA 23 -14.001 -0.514 -25.937 175 HB1 ALA 23 1HB ALA 23 -16.214 -0.308 -26.051 176 HB2 ALA 23 2HB ALA 23 -15.971 1.433 -25.904 177 HB3 ALA 23 3HB ALA 23 -16.118 0.695 -27.499 178 H ALA 24 H ALA 24 -13.357 2.038 -28.211 179 HA ALA 24 HA ALA 24 -13.552 0.381 -30.550 180 HB1 ALA 24 1HB ALA 24 -11.970 2.864 -30.692 181 HB2 ALA 24 2HB ALA 24 -13.269 2.281 -31.733 182 HB3 ALA 24 3HB ALA 24 -13.652 3.044 -30.190 183 H THR 25 H THR 25 -10.992 1.455 -28.396 184 HA THR 25 HA THR 25 -8.761 0.761 -29.910 185 HB THR 25 HB THR 25 -9.046 0.539 -26.908 186 HG1 THR 25 HG1 THR 25 -8.381 2.714 -28.618 187 HG21 THR 25 1HG2 THR 25 -6.639 0.809 -26.844 188 HG22 THR 25 2HG2 THR 25 -6.578 0.948 -28.601 189 HG23 THR 25 3HG2 THR 25 -7.045 -0.578 -27.852 190 H ALA 26 H ALA 26 -10.870 -1.228 -27.918 191 HA ALA 26 HA ALA 26 -9.214 -3.576 -28.179 192 HB1 ALA 26 1HB ALA 26 -10.322 -3.960 -26.280 193 HB2 ALA 26 2HB ALA 26 -11.599 -2.813 -26.690 194 HB3 ALA 26 3HB ALA 26 -11.662 -4.464 -27.310 195 H GLU 27 H GLU 27 -11.793 -2.095 -29.930 196 HA GLU 27 HA GLU 27 -12.554 -4.503 -31.335 197 HB2 GLU 27 2HB GLU 27 -13.420 -1.651 -31.352 198 HB3 GLU 27 3HB GLU 27 -13.743 -2.616 -32.785 199 HG2 GLU 27 2HG GLU 27 -14.664 -3.201 -29.982 200 HG3 GLU 27 3HG GLU 27 -15.656 -2.642 -31.327 201 H LYS 28 H LYS 28 -10.393 -1.820 -31.787 202 HA LYS 28 HA LYS 28 -9.972 -2.333 -34.597 203 HB2 LYS 28 2HB LYS 28 -8.263 -0.580 -34.439 204 HB3 LYS 28 3HB LYS 28 -9.788 -0.053 -33.740 205 HG2 LYS 28 2HG LYS 28 -8.900 -0.556 -31.496 206 HG3 LYS 28 3HG LYS 28 -7.355 -0.991 -32.232 207 HD2 LYS 28 2HD LYS 28 -7.578 1.403 -33.312 208 HD3 LYS 28 3HD LYS 28 -8.634 1.685 -31.924 209 HE2 LYS 28 2HE LYS 28 -6.607 0.575 -30.630 210 HE3 LYS 28 3HE LYS 28 -5.706 1.171 -32.023 211 HZ1 LYS 28 1HZ LYS 28 -7.492 2.875 -30.379 212 HZ2 LYS 28 2HZ LYS 28 -6.398 3.380 -31.565 213 HZ3 LYS 28 3HZ LYS 28 -5.828 2.736 -30.109 214 H VAL 29 H VAL 29 -8.271 -2.938 -31.562 215 HA VAL 29 HA VAL 29 -5.859 -3.890 -32.574 216 HB VAL 29 HB VAL 29 -6.386 -3.439 -30.155 217 HG11 VAL 29 1HG1 VAL 29 -8.421 -5.210 -30.505 218 HG12 VAL 29 2HG1 VAL 29 -7.214 -6.214 -29.700 219 HG13 VAL 29 3HG1 VAL 29 -7.771 -4.722 -28.940 220 HG21 VAL 29 1HG2 VAL 29 -5.239 -6.140 -30.106 221 HG22 VAL 29 2HG2 VAL 29 -4.503 -5.046 -31.277 222 HG23 VAL 29 3HG2 VAL 29 -4.555 -4.606 -29.570 223 H PHE 30 H PHE 30 -8.992 -5.335 -32.564 224 HA PHE 30 HA PHE 30 -8.177 -8.048 -32.827 225 HB2 PHE 30 2HB PHE 30 -10.718 -6.532 -33.169 226 HB3 PHE 30 3HB PHE 30 -10.605 -8.114 -33.935 227 HD1 PHE 30 HD1 PHE 30 -11.884 -6.598 -31.206 228 HD2 PHE 30 HD2 PHE 30 -9.293 -9.836 -32.169 229 HE1 PHE 30 HE1 PHE 30 -12.429 -7.669 -29.059 230 HE2 PHE 30 HE2 PHE 30 -9.835 -10.912 -30.024 231 HZ PHE 30 HZ PHE 30 -11.406 -9.829 -28.466 232 H LYS 31 H LYS 31 -8.357 -5.386 -34.998 233 HA LYS 31 HA LYS 31 -8.768 -6.593 -37.453 234 HB2 LYS 31 2HB LYS 31 -7.810 -4.684 -38.435 235 HB3 LYS 31 3HB LYS 31 -8.463 -4.111 -36.906 236 HG2 LYS 31 2HG LYS 31 -6.436 -3.129 -36.775 237 HG3 LYS 31 3HG LYS 31 -5.987 -4.699 -36.104 238 HD2 LYS 31 2HD LYS 31 -4.349 -4.473 -37.682 239 HD3 LYS 31 3HD LYS 31 -5.586 -5.273 -38.655 240 HE2 LYS 31 2HE LYS 31 -5.066 -3.544 -40.049 241 HE3 LYS 31 3HE LYS 31 -6.337 -2.777 -39.099 242 HZ1 LYS 31 1HZ LYS 31 -4.895 -1.246 -38.460 243 HZ2 LYS 31 2HZ LYS 31 -3.684 -1.966 -39.394 244 HZ3 LYS 31 3HZ LYS 31 -3.889 -2.423 -37.779 245 H GLN 32 H GLN 32 -5.978 -6.693 -35.380 246 HA GLN 32 HA GLN 32 -4.262 -7.810 -37.432 247 HB2 GLN 32 2HB GLN 32 -3.933 -6.781 -34.704 248 HB3 GLN 32 3HB GLN 32 -2.940 -8.188 -35.058 249 HG2 GLN 32 2HG GLN 32 -2.983 -5.579 -36.555 250 HG3 GLN 32 3HG GLN 32 -1.693 -6.196 -35.524 251 HE21 GLN 32 1HE2 GLN 32 -0.594 -8.138 -36.224 252 HE22 GLN 32 2HE2 GLN 32 -0.433 -8.458 -37.914 253 H TYR 33 H TYR 33 -6.257 -8.910 -34.796 254 HA TYR 33 HA TYR 33 -5.167 -11.521 -34.572 255 HB2 TYR 33 2HB TYR 33 -7.630 -10.142 -33.630 256 HB3 TYR 33 3HB TYR 33 -7.645 -11.903 -33.652 257 HD1 TYR 33 HD1 TYR 33 -7.210 -9.284 -31.539 258 HD2 TYR 33 HD2 TYR 33 -5.171 -12.821 -32.739 259 HE1 TYR 33 HE1 TYR 33 -6.012 -9.316 -29.391 260 HE2 TYR 33 HE2 TYR 33 -3.969 -12.863 -30.594 261 HH TYR 33 HH TYR 33 -3.410 -11.570 -28.771 262 H PHE 34 H PHE 34 -7.500 -10.054 -36.696 263 HA PHE 34 HA PHE 34 -8.834 -12.331 -37.618 264 HB2 PHE 34 2HB PHE 34 -8.321 -9.602 -38.705 265 HB3 PHE 34 3HB PHE 34 -8.930 -10.829 -39.812 266 HD1 PHE 34 HD1 PHE 34 -9.692 -10.186 -36.225 267 HD2 PHE 34 HD2 PHE 34 -11.142 -10.328 -40.223 268 HE1 PHE 34 HE1 PHE 34 -11.977 -9.781 -35.407 269 HE2 PHE 34 HE2 PHE 34 -13.429 -9.923 -39.412 270 HZ PHE 34 HZ PHE 34 -13.850 -9.649 -37.001 271 H ASN 35 H ASN 35 -5.733 -10.946 -38.510 272 HA ASN 35 HA ASN 35 -5.355 -12.727 -40.744 273 HB2 ASN 35 2HB ASN 35 -4.374 -10.421 -40.629 274 HB3 ASN 35 3HB ASN 35 -3.298 -10.996 -39.358 275 HD21 ASN 35 1HD2 ASN 35 -4.259 -11.559 -42.703 276 HD22 ASN 35 2HD2 ASN 35 -2.725 -12.150 -43.232 277 H ASP 36 H ASP 36 -4.644 -12.713 -37.354 278 HA ASP 36 HA ASP 36 -2.548 -14.596 -37.317 279 HB2 ASP 36 2HB ASP 36 -3.235 -13.124 -35.402 280 HB3 ASP 36 3HB ASP 36 -4.631 -14.173 -35.168 281 H ASN 37 H ASN 37 -6.065 -14.969 -37.105 282 HA ASN 37 HA ASN 37 -5.775 -17.878 -37.126 283 HB2 ASN 37 2HB ASN 37 -7.420 -16.470 -35.632 284 HB3 ASN 37 3HB ASN 37 -8.429 -16.491 -37.075 285 HD21 ASN 37 1HD2 ASN 37 -6.663 -18.587 -34.852 286 HD22 ASN 37 2HD2 ASN 37 -7.732 -19.937 -34.994 287 H GLY 38 H GLY 38 -6.495 -15.250 -39.217 288 HA2 GLY 38 2HA GLY 38 -6.969 -15.165 -41.462 289 HA3 GLY 38 3HA GLY 38 -6.460 -16.845 -41.537 290 H LEU 39 H LEU 39 -9.030 -16.056 -39.386 291 HA LEU 39 HA LEU 39 -10.913 -17.390 -41.206 292 HB2 LEU 39 2HB LEU 39 -10.335 -18.267 -38.836 293 HB3 LEU 39 3HB LEU 39 -11.393 -16.971 -38.282 294 HG LEU 39 HG LEU 39 -13.154 -18.025 -39.836 295 HD11 LEU 39 1HD1 LEU 39 -12.902 -20.357 -40.321 296 HD12 LEU 39 2HD1 LEU 39 -11.342 -20.409 -39.501 297 HD13 LEU 39 3HD1 LEU 39 -11.521 -19.495 -40.998 298 HD21 LEU 39 1HD2 LEU 39 -12.280 -19.600 -37.419 299 HD22 LEU 39 2HD2 LEU 39 -13.909 -19.473 -38.084 300 HD23 LEU 39 3HD2 LEU 39 -13.146 -18.065 -37.344 301 H ASP 40 H ASP 40 -13.069 -16.606 -41.377 302 HA ASP 40 HA ASP 40 -13.329 -13.742 -40.732 303 HB2 ASP 40 2HB ASP 40 -13.148 -14.091 -43.137 304 HB3 ASP 40 3HB ASP 40 -14.459 -15.267 -43.088 305 H GLY 41 H GLY 41 -14.209 -14.526 -38.662 306 HA2 GLY 41 2HA GLY 41 -16.865 -15.744 -38.828 307 HA3 GLY 41 3HA GLY 41 -15.923 -15.506 -37.363 308 H GLU 42 H GLU 42 -18.363 -14.837 -36.955 309 HA GLU 42 HA GLU 42 -18.637 -11.961 -37.505 310 HB2 GLU 42 2HB GLU 42 -20.717 -13.988 -36.667 311 HB3 GLU 42 3HB GLU 42 -21.024 -12.273 -36.905 312 HG2 GLU 42 2HG GLU 42 -19.916 -14.007 -39.085 313 HG3 GLU 42 3HG GLU 42 -21.648 -13.851 -38.794 314 H TRP 43 H TRP 43 -18.156 -10.618 -35.910 315 HA TRP 43 HA TRP 43 -17.905 -11.622 -33.194 316 HB2 TRP 43 2HB TRP 43 -16.919 -9.274 -34.701 317 HB3 TRP 43 3HB TRP 43 -17.257 -9.000 -32.994 318 HD1 TRP 43 HD1 TRP 43 -15.323 -9.541 -31.409 319 HE1 TRP 43 HE1 TRP 43 -13.159 -10.928 -31.547 320 HE3 TRP 43 HE3 TRP 43 -15.978 -11.611 -36.038 321 HZ2 TRP 43 HZ2 TRP 43 -11.897 -12.669 -33.375 322 HZ3 TRP 43 HZ3 TRP 43 -14.245 -13.126 -36.908 323 HH2 TRP 43 HH2 TRP 43 -12.248 -13.643 -35.603 324 H THR 44 H THR 44 -19.162 -11.048 -31.488 325 HA THR 44 HA THR 44 -21.368 -9.163 -31.994 326 HB THR 44 HB THR 44 -21.865 -11.470 -30.177 327 HG1 THR 44 HG1 THR 44 -20.936 -12.139 -32.369 328 HG21 THR 44 1HG2 THR 44 -23.548 -9.739 -30.397 329 HG22 THR 44 2HG2 THR 44 -24.139 -11.233 -31.123 330 HG23 THR 44 3HG2 THR 44 -23.550 -9.926 -32.150 331 H TYR 45 H TYR 45 -22.199 -8.083 -30.138 332 HA TYR 45 HA TYR 45 -20.256 -7.946 -27.933 333 HB2 TYR 45 2HB TYR 45 -22.291 -5.841 -28.663 334 HB3 TYR 45 3HB TYR 45 -20.898 -5.670 -27.602 335 HD1 TYR 45 HD1 TYR 45 -18.674 -5.354 -28.504 336 HD2 TYR 45 HD2 TYR 45 -22.017 -5.861 -31.089 337 HE1 TYR 45 HE1 TYR 45 -17.321 -4.565 -30.399 338 HE2 TYR 45 HE2 TYR 45 -20.671 -5.075 -32.991 339 HH TYR 45 HH TYR 45 -17.681 -5.071 -33.255 340 H ASP 46 H ASP 46 -20.943 -9.219 -26.325 341 HA ASP 46 HA ASP 46 -23.794 -9.292 -25.663 342 HB2 ASP 46 2HB ASP 46 -21.535 -10.979 -24.565 343 HB3 ASP 46 3HB ASP 46 -23.257 -11.233 -24.295 344 H ASP 47 H ASP 47 -23.756 -7.114 -24.798 345 HA ASP 47 HA ASP 47 -22.149 -6.246 -22.694 346 HB2 ASP 47 2HB ASP 47 -23.952 -5.004 -24.158 347 HB3 ASP 47 3HB ASP 47 -25.020 -5.414 -22.819 348 H ALA 48 H ALA 48 -24.798 -8.461 -22.717 349 HA ALA 48 HA ALA 48 -25.775 -8.321 -20.142 350 HB1 ALA 48 1HB ALA 48 -26.061 -10.050 -22.281 351 HB2 ALA 48 2HB ALA 48 -25.427 -11.073 -20.990 352 HB3 ALA 48 3HB ALA 48 -26.906 -10.146 -20.736 353 H THR 49 H THR 49 -22.796 -9.793 -21.296 354 HA THR 49 HA THR 49 -21.979 -10.170 -18.492 355 HB THR 49 HB THR 49 -20.830 -12.211 -19.019 356 HG1 THR 49 HG1 THR 49 -21.410 -11.450 -21.660 357 HG21 THR 49 1HG2 THR 49 -22.647 -13.593 -19.111 358 HG22 THR 49 2HG2 THR 49 -23.382 -12.719 -20.455 359 HG23 THR 49 3HG2 THR 49 -23.479 -12.067 -18.819 360 H LYS 50 H LYS 50 -21.503 -8.204 -20.859 361 HA LYS 50 HA LYS 50 -19.792 -6.961 -21.709 362 HB2 LYS 50 2HB LYS 50 -18.511 -7.784 -19.096 363 HB3 LYS 50 3HB LYS 50 -17.946 -6.479 -20.130 364 HG2 LYS 50 2HG LYS 50 -20.726 -6.520 -19.008 365 HG3 LYS 50 3HG LYS 50 -19.359 -5.853 -18.112 366 HD2 LYS 50 2HD LYS 50 -18.934 -4.500 -20.293 367 HD3 LYS 50 3HD LYS 50 -20.618 -4.888 -20.650 368 HE2 LYS 50 2HE LYS 50 -21.142 -3.981 -18.326 369 HE3 LYS 50 3HE LYS 50 -19.507 -3.320 -18.339 370 HZ1 LYS 50 1HZ LYS 50 -21.641 -2.717 -20.316 371 HZ2 LYS 50 2HZ LYS 50 -20.067 -2.099 -20.356 372 HZ3 LYS 50 3HZ LYS 50 -21.106 -1.684 -19.087 373 H THR 51 H THR 51 -19.828 -9.383 -22.885 374 HA THR 51 HA THR 51 -16.974 -9.906 -23.308 375 HB THR 51 HB THR 51 -19.031 -12.107 -23.036 376 HG1 THR 51 HG1 THR 51 -18.500 -12.101 -20.997 377 HG21 THR 51 1HG2 THR 51 -16.045 -12.193 -23.488 378 HG22 THR 51 2HG2 THR 51 -17.293 -12.656 -24.644 379 HG23 THR 51 3HG2 THR 51 -17.065 -13.595 -23.170 380 H PHE 52 H PHE 52 -16.424 -10.568 -25.393 381 HA PHE 52 HA PHE 52 -18.439 -9.942 -27.409 382 HB2 PHE 52 2HB PHE 52 -15.511 -10.505 -27.876 383 HB3 PHE 52 3HB PHE 52 -16.633 -9.669 -28.944 384 HD1 PHE 52 HD1 PHE 52 -17.670 -7.477 -28.019 385 HD2 PHE 52 HD2 PHE 52 -14.136 -9.286 -26.482 386 HE1 PHE 52 HE1 PHE 52 -16.996 -5.322 -27.042 387 HE2 PHE 52 HE2 PHE 52 -13.458 -7.133 -25.502 388 HZ PHE 52 HZ PHE 52 -14.889 -5.148 -25.780 389 H THR 53 H THR 53 -19.607 -11.551 -28.203 390 HA THR 53 HA THR 53 -18.547 -14.272 -28.183 391 HB THR 53 HB THR 53 -21.329 -13.265 -28.809 392 HG1 THR 53 HG1 THR 53 -20.143 -14.439 -26.508 393 HG21 THR 53 1HG2 THR 53 -20.240 -16.070 -28.561 394 HG22 THR 53 2HG2 THR 53 -20.944 -15.324 -29.997 395 HG23 THR 53 3HG2 THR 53 -21.956 -15.667 -28.594 396 H VAL 54 H VAL 54 -17.468 -14.930 -29.917 397 HA VAL 54 HA VAL 54 -18.092 -13.775 -32.535 398 HB VAL 54 HB VAL 54 -15.783 -15.584 -31.823 399 HG11 VAL 54 1HG1 VAL 54 -16.054 -15.623 -34.146 400 HG12 VAL 54 2HG1 VAL 54 -16.482 -13.911 -34.216 401 HG13 VAL 54 3HG1 VAL 54 -14.820 -14.393 -33.875 402 HG21 VAL 54 1HG2 VAL 54 -15.962 -12.575 -31.821 403 HG22 VAL 54 2HG2 VAL 54 -15.572 -13.629 -30.461 404 HG23 VAL 54 3HG2 VAL 54 -14.442 -13.472 -31.806 405 H THR 55 H THR 55 -19.762 -14.844 -33.434 406 HA THR 55 HA THR 55 -19.734 -17.782 -33.391 407 HB THR 55 HB THR 55 -22.030 -16.018 -34.244 408 HG1 THR 55 HG1 THR 55 -21.775 -15.555 -32.106 409 HG21 THR 55 1HG2 THR 55 -21.596 -18.926 -33.899 410 HG22 THR 55 2HG2 THR 55 -22.654 -18.061 -35.015 411 HG23 THR 55 3HG2 THR 55 -23.139 -18.286 -33.335 412 H GLU 56 H GLU 56 -18.514 -18.445 -35.077 413 HA GLU 56 HA GLU 56 -18.394 -17.107 -37.579 414 HB2 GLU 56 2HB GLU 56 -17.141 -19.070 -38.343 415 HB3 GLU 56 3HB GLU 56 -16.557 -18.505 -36.784 416 HG2 GLU 56 2HG GLU 56 -16.616 -20.755 -36.422 417 HG3 GLU 56 3HG GLU 56 -18.217 -20.294 -35.850 Start of MODEL 10 1 H1 MET 1 H MET 1 -9.903 -0.241 -19.832 2 HA MET 1 HA MET 1 -12.077 -0.878 -17.968 3 HB2 MET 1 2HB MET 1 -12.378 -0.703 -20.972 4 HB3 MET 1 3HB MET 1 -13.615 -1.256 -19.850 5 HG2 MET 1 2HG MET 1 -13.233 1.095 -18.759 6 HG3 MET 1 3HG MET 1 -12.604 1.493 -20.356 7 HE1 MET 1 1HE MET 1 -15.078 3.427 -20.693 8 HE2 MET 1 2HE MET 1 -16.302 2.832 -19.569 9 HE3 MET 1 3HE MET 1 -14.624 2.989 -19.045 10 H THR 2 H THR 2 -12.656 -3.052 -17.869 11 HA THR 2 HA THR 2 -10.741 -4.880 -19.155 12 HB THR 2 HB THR 2 -12.367 -5.295 -16.638 13 HG1 THR 2 HG1 THR 2 -10.300 -5.141 -15.637 14 HG21 THR 2 1HG2 THR 2 -10.568 -7.228 -16.503 15 HG22 THR 2 2HG2 THR 2 -10.620 -7.082 -18.259 16 HG23 THR 2 3HG2 THR 2 -12.091 -7.454 -17.361 17 H PHE 3 H PHE 3 -11.474 -6.204 -20.674 18 HA PHE 3 HA PHE 3 -14.305 -6.995 -20.625 19 HB2 PHE 3 2HB PHE 3 -12.725 -5.965 -22.981 20 HB3 PHE 3 3HB PHE 3 -14.218 -6.879 -23.168 21 HD1 PHE 3 HD1 PHE 3 -12.805 -3.670 -22.762 22 HD2 PHE 3 HD2 PHE 3 -16.288 -5.962 -21.910 23 HE1 PHE 3 HE1 PHE 3 -14.102 -1.595 -22.498 24 HE2 PHE 3 HE2 PHE 3 -17.590 -3.892 -21.645 25 HZ PHE 3 HZ PHE 3 -16.498 -1.704 -21.940 26 H LYS 4 H LYS 4 -14.737 -8.925 -22.006 27 HA LYS 4 HA LYS 4 -12.404 -10.724 -22.075 28 HB2 LYS 4 2HB LYS 4 -14.051 -11.176 -20.211 29 HB3 LYS 4 3HB LYS 4 -15.235 -11.569 -21.451 30 HG2 LYS 4 2HG LYS 4 -13.917 -13.418 -22.213 31 HG3 LYS 4 3HG LYS 4 -12.585 -12.966 -21.146 32 HD2 LYS 4 2HD LYS 4 -15.334 -13.709 -20.160 33 HD3 LYS 4 3HD LYS 4 -14.011 -14.865 -20.326 34 HE2 LYS 4 2HE LYS 4 -12.677 -13.211 -18.869 35 HE3 LYS 4 3HE LYS 4 -14.250 -12.522 -18.469 36 HZ1 LYS 4 1HZ LYS 4 -13.181 -14.448 -17.056 37 HZ2 LYS 4 2HZ LYS 4 -13.935 -15.417 -18.221 38 HZ3 LYS 4 3HZ LYS 4 -14.854 -14.346 -17.288 39 H ALA 5 H ALA 5 -12.557 -12.492 -23.621 40 HA ALA 5 HA ALA 5 -14.434 -12.016 -25.829 41 HB1 ALA 5 1HB ALA 5 -11.704 -12.765 -26.641 42 HB2 ALA 5 2HB ALA 5 -12.855 -11.662 -27.397 43 HB3 ALA 5 3HB ALA 5 -11.897 -11.127 -26.017 44 H ILE 6 H ILE 6 -15.574 -13.835 -25.963 45 HA ILE 6 HA ILE 6 -14.224 -16.403 -25.498 46 HB ILE 6 HB ILE 6 -16.242 -15.906 -24.133 47 HG12 ILE 6 2HG1 ILE 6 -17.415 -18.085 -24.669 48 HG13 ILE 6 3HG1 ILE 6 -16.349 -18.227 -26.062 49 HG21 ILE 6 1HG2 ILE 6 -17.399 -14.649 -25.983 50 HG22 ILE 6 2HG2 ILE 6 -17.797 -16.215 -26.689 51 HG23 ILE 6 3HG2 ILE 6 -18.408 -15.788 -25.091 52 HD11 ILE 6 1HD1 ILE 6 -14.590 -17.770 -24.020 53 HD12 ILE 6 2HD1 ILE 6 -15.834 -18.754 -23.250 54 HD13 ILE 6 3HD1 ILE 6 -15.007 -19.348 -24.690 55 H ILE 7 H ILE 7 -14.170 -17.986 -27.024 56 HA ILE 7 HA ILE 7 -15.138 -17.239 -29.701 57 HB ILE 7 HB ILE 7 -13.036 -19.304 -29.055 58 HG12 ILE 7 2HG1 ILE 7 -12.266 -17.110 -28.300 59 HG13 ILE 7 3HG1 ILE 7 -11.383 -17.608 -29.739 60 HG21 ILE 7 1HG2 ILE 7 -13.997 -18.012 -31.590 61 HG22 ILE 7 2HG2 ILE 7 -12.441 -18.831 -31.480 62 HG23 ILE 7 3HG2 ILE 7 -13.930 -19.728 -31.188 63 HD11 ILE 7 1HD1 ILE 7 -11.848 -15.575 -30.509 64 HD12 ILE 7 2HD1 ILE 7 -13.480 -16.189 -30.781 65 HD13 ILE 7 3HD1 ILE 7 -13.104 -15.309 -29.300 66 H ASN 8 H ASN 8 -16.519 -18.526 -30.794 67 HA ASN 8 HA ASN 8 -17.221 -21.121 -29.592 68 HB2 ASN 8 2HB ASN 8 -19.029 -18.904 -30.518 69 HB3 ASN 8 3HB ASN 8 -19.590 -20.573 -30.508 70 HD21 ASN 8 1HD2 ASN 8 -19.995 -21.588 -28.584 71 HD22 ASN 8 2HD2 ASN 8 -20.021 -20.759 -27.068 72 H GLY 9 H GLY 9 -16.271 -22.481 -31.017 73 HA2 GLY 9 2HA GLY 9 -17.169 -22.274 -33.819 74 HA3 GLY 9 3HA GLY 9 -15.485 -22.599 -33.437 75 H LYS 10 H LYS 10 -16.696 -24.358 -35.037 76 HA LYS 10 HA LYS 10 -17.735 -26.556 -33.434 77 HB2 LYS 10 2HB LYS 10 -18.723 -25.911 -35.664 78 HB3 LYS 10 3HB LYS 10 -17.242 -26.495 -36.413 79 HG2 LYS 10 2HG LYS 10 -19.002 -28.164 -36.527 80 HG3 LYS 10 3HG LYS 10 -17.663 -28.727 -35.525 81 HD2 LYS 10 2HD LYS 10 -18.876 -28.329 -33.526 82 HD3 LYS 10 3HD LYS 10 -20.122 -27.419 -34.382 83 HE2 LYS 10 2HE LYS 10 -19.593 -30.281 -35.076 84 HE3 LYS 10 3HE LYS 10 -20.584 -29.876 -33.675 85 HZ1 LYS 10 1HZ LYS 10 -22.294 -29.410 -34.985 86 HZ2 LYS 10 2HZ LYS 10 -21.416 -30.035 -36.289 87 HZ3 LYS 10 3HZ LYS 10 -21.371 -28.377 -35.958 88 H THR 11 H THR 11 -14.992 -25.871 -35.577 89 HA THR 11 HA THR 11 -13.749 -28.394 -35.298 90 HB THR 11 HB THR 11 -11.632 -26.940 -35.912 91 HG1 THR 11 HG1 THR 11 -13.672 -25.218 -36.858 92 HG21 THR 11 1HG2 THR 11 -12.196 -28.236 -37.675 93 HG22 THR 11 2HG2 THR 11 -12.877 -26.738 -38.313 94 HG23 THR 11 3HG2 THR 11 -13.919 -27.905 -37.497 95 H LEU 12 H LEU 12 -13.055 -25.267 -33.733 96 HA LEU 12 HA LEU 12 -12.357 -26.549 -31.270 97 HB2 LEU 12 2HB LEU 12 -10.051 -25.888 -31.165 98 HB3 LEU 12 3HB LEU 12 -10.306 -26.901 -32.585 99 HG LEU 12 HG LEU 12 -10.276 -23.910 -32.811 100 HD11 LEU 12 1HD1 LEU 12 -7.919 -25.774 -32.697 101 HD12 LEU 12 2HD1 LEU 12 -8.212 -24.327 -31.734 102 HD13 LEU 12 3HD1 LEU 12 -7.855 -24.182 -33.455 103 HD21 LEU 12 1HD2 LEU 12 -9.192 -24.848 -35.060 104 HD22 LEU 12 2HD2 LEU 12 -10.934 -24.675 -34.842 105 HD23 LEU 12 3HD2 LEU 12 -10.170 -26.249 -34.622 106 H LYS 13 H LYS 13 -12.481 -25.164 -29.562 107 HA LYS 13 HA LYS 13 -12.911 -22.318 -30.201 108 HB2 LYS 13 2HB LYS 13 -14.626 -22.181 -28.604 109 HB3 LYS 13 3HB LYS 13 -14.932 -23.698 -29.439 110 HG2 LYS 13 2HG LYS 13 -15.054 -24.620 -27.423 111 HG3 LYS 13 3HG LYS 13 -13.298 -24.448 -27.354 112 HD2 LYS 13 2HD LYS 13 -13.396 -22.735 -25.884 113 HD3 LYS 13 3HD LYS 13 -14.845 -22.047 -26.622 114 HE2 LYS 13 2HE LYS 13 -15.273 -22.855 -24.347 115 HE3 LYS 13 3HE LYS 13 -16.220 -23.736 -25.545 116 HZ1 LYS 13 1HZ LYS 13 -15.165 -25.645 -25.095 117 HZ2 LYS 13 2HZ LYS 13 -14.756 -24.898 -23.633 118 HZ3 LYS 13 3HZ LYS 13 -13.651 -24.909 -24.915 119 H GLY 14 H GLY 14 -12.709 -20.960 -28.074 120 HA2 GLY 14 2HA GLY 14 -10.735 -21.931 -26.201 121 HA3 GLY 14 3HA GLY 14 -10.120 -20.725 -27.324 122 H GLU 15 H GLU 15 -9.720 -19.298 -25.585 123 HA GLU 15 HA GLU 15 -11.835 -17.493 -25.058 124 HB2 GLU 15 2HB GLU 15 -12.404 -19.372 -23.478 125 HB3 GLU 15 3HB GLU 15 -10.893 -19.041 -22.643 126 HG2 GLU 15 2HG GLU 15 -11.630 -16.899 -21.964 127 HG3 GLU 15 3HG GLU 15 -13.024 -16.964 -23.040 128 H THR 16 H THR 16 -11.100 -15.550 -24.241 129 HA THR 16 HA THR 16 -8.456 -15.316 -23.108 130 HB THR 16 HB THR 16 -7.999 -15.409 -25.557 131 HG1 THR 16 HG1 THR 16 -6.465 -13.932 -25.292 132 HG21 THR 16 1HG2 THR 16 -10.071 -14.348 -26.336 133 HG22 THR 16 2HG2 THR 16 -8.647 -13.512 -26.957 134 HG23 THR 16 3HG2 THR 16 -9.559 -12.823 -25.614 135 H THR 17 H THR 17 -7.910 -12.947 -22.729 136 HA THR 17 HA THR 17 -10.365 -11.380 -22.283 137 HB THR 17 HB THR 17 -9.212 -10.499 -20.190 138 HG1 THR 17 HG1 THR 17 -7.654 -12.851 -20.612 139 HG21 THR 17 1HG2 THR 17 -9.711 -12.778 -18.958 140 HG22 THR 17 2HG2 THR 17 -10.367 -13.225 -20.533 141 HG23 THR 17 3HG2 THR 17 -11.013 -11.828 -19.673 142 H THR 18 H THR 18 -10.182 -9.145 -22.455 143 HA THR 18 HA THR 18 -7.587 -8.057 -23.276 144 HB THR 18 HB THR 18 -9.985 -7.166 -24.812 145 HG1 THR 18 HG1 THR 18 -9.831 -8.881 -26.206 146 HG21 THR 18 1HG2 THR 18 -7.297 -6.547 -24.843 147 HG22 THR 18 2HG2 THR 18 -8.454 -6.192 -26.127 148 HG23 THR 18 3HG2 THR 18 -7.470 -7.654 -26.204 149 H GLU 19 H GLU 19 -7.209 -5.997 -22.614 150 HA GLU 19 HA GLU 19 -9.439 -4.550 -21.349 151 HB2 GLU 19 2HB GLU 19 -7.832 -3.746 -19.633 152 HB3 GLU 19 3HB GLU 19 -8.105 -5.482 -19.571 153 HG2 GLU 19 2HG GLU 19 -5.998 -5.738 -20.934 154 HG3 GLU 19 3HG GLU 19 -5.704 -4.026 -20.630 155 H ALA 20 H ALA 20 -9.794 -2.730 -22.418 156 HA ALA 20 HA ALA 20 -7.501 -1.105 -23.256 157 HB1 ALA 20 1HB ALA 20 -8.080 -0.970 -25.443 158 HB2 ALA 20 2HB ALA 20 -8.746 -2.568 -25.109 159 HB3 ALA 20 3HB ALA 20 -9.803 -1.157 -25.114 160 H VAL 21 H VAL 21 -7.847 1.113 -23.244 161 HA VAL 21 HA VAL 21 -9.681 2.113 -21.380 162 HB VAL 21 HB VAL 21 -7.589 3.270 -21.981 163 HG11 VAL 21 1HG1 VAL 21 -8.200 2.844 -24.540 164 HG12 VAL 21 2HG1 VAL 21 -8.820 4.489 -24.383 165 HG13 VAL 21 3HG1 VAL 21 -7.128 4.145 -24.025 166 HG21 VAL 21 1HG2 VAL 21 -8.555 5.578 -22.086 167 HG22 VAL 21 2HG2 VAL 21 -10.142 4.839 -22.305 168 HG23 VAL 21 3HG2 VAL 21 -9.233 4.554 -20.821 169 H ASP 22 H ASP 22 -9.931 1.619 -24.816 170 HA ASP 22 HA ASP 22 -12.698 2.612 -24.709 171 HB2 ASP 22 2HB ASP 22 -10.557 3.257 -26.703 172 HB3 ASP 22 3HB ASP 22 -12.238 3.207 -27.224 173 H ALA 23 H ALA 23 -14.165 1.593 -26.165 174 HA ALA 23 HA ALA 23 -13.765 -1.196 -26.420 175 HB1 ALA 23 1HB ALA 23 -15.894 -0.661 -28.054 176 HB2 ALA 23 2HB ALA 23 -15.983 -0.935 -26.313 177 HB3 ALA 23 3HB ALA 23 -15.914 0.710 -26.944 178 H ALA 24 H ALA 24 -13.186 1.486 -28.540 179 HA ALA 24 HA ALA 24 -13.078 -0.037 -30.964 180 HB1 ALA 24 1HB ALA 24 -11.814 2.651 -30.486 181 HB2 ALA 24 2HB ALA 24 -12.356 1.958 -32.015 182 HB3 ALA 24 3HB ALA 24 -13.537 2.437 -30.797 183 H THR 25 H THR 25 -10.753 1.010 -28.544 184 HA THR 25 HA THR 25 -8.375 0.506 -29.891 185 HB THR 25 HB THR 25 -8.949 0.105 -26.948 186 HG1 THR 25 HG1 THR 25 -7.760 2.342 -28.245 187 HG21 THR 25 1HG2 THR 25 -6.478 0.559 -26.738 188 HG22 THR 25 2HG2 THR 25 -6.362 0.326 -28.482 189 HG23 THR 25 3HG2 THR 25 -6.897 -0.999 -27.449 190 H ALA 26 H ALA 26 -10.544 -1.707 -28.222 191 HA ALA 26 HA ALA 26 -8.768 -3.960 -28.502 192 HB1 ALA 26 1HB ALA 26 -10.506 -3.588 -26.655 193 HB2 ALA 26 2HB ALA 26 -11.689 -4.143 -27.841 194 HB3 ALA 26 3HB ALA 26 -10.371 -5.206 -27.346 195 H GLU 27 H GLU 27 -11.342 -2.507 -30.321 196 HA GLU 27 HA GLU 27 -11.958 -4.783 -31.926 197 HB2 GLU 27 2HB GLU 27 -12.586 -1.862 -32.048 198 HB3 GLU 27 3HB GLU 27 -12.872 -2.856 -33.470 199 HG2 GLU 27 2HG GLU 27 -14.048 -3.294 -30.735 200 HG3 GLU 27 3HG GLU 27 -14.885 -2.632 -32.138 201 H LYS 28 H LYS 28 -9.921 -1.917 -32.384 202 HA LYS 28 HA LYS 28 -9.120 -2.447 -35.017 203 HB2 LYS 28 2HB LYS 28 -7.181 -0.972 -34.498 204 HB3 LYS 28 3HB LYS 28 -8.732 -0.280 -34.042 205 HG2 LYS 28 2HG LYS 28 -8.345 -0.637 -31.756 206 HG3 LYS 28 3HG LYS 28 -7.005 -1.741 -32.072 207 HD2 LYS 28 2HD LYS 28 -5.938 0.228 -31.437 208 HD3 LYS 28 3HD LYS 28 -5.888 0.294 -33.201 209 HE2 LYS 28 2HE LYS 28 -7.990 1.674 -33.098 210 HE3 LYS 28 3HE LYS 28 -7.767 1.753 -31.351 211 HZ1 LYS 28 1HZ LYS 28 -6.695 3.459 -33.191 212 HZ2 LYS 28 2HZ LYS 28 -5.395 2.461 -32.776 213 HZ3 LYS 28 3HZ LYS 28 -6.222 3.315 -31.573 214 H VAL 29 H VAL 29 -8.107 -3.805 -31.989 215 HA VAL 29 HA VAL 29 -5.627 -4.883 -32.889 216 HB VAL 29 HB VAL 29 -7.359 -5.755 -30.572 217 HG11 VAL 29 1HG1 VAL 29 -5.094 -6.580 -29.717 218 HG12 VAL 29 2HG1 VAL 29 -5.884 -7.528 -30.978 219 HG13 VAL 29 3HG1 VAL 29 -4.554 -6.444 -31.390 220 HG21 VAL 29 1HG2 VAL 29 -6.037 -3.348 -30.934 221 HG22 VAL 29 2HG2 VAL 29 -6.589 -4.020 -29.400 222 HG23 VAL 29 3HG2 VAL 29 -4.933 -4.298 -29.940 223 H PHE 30 H PHE 30 -8.934 -6.095 -32.713 224 HA PHE 30 HA PHE 30 -8.380 -8.781 -33.345 225 HB2 PHE 30 2HB PHE 30 -10.821 -7.048 -33.549 226 HB3 PHE 30 3HB PHE 30 -10.836 -8.675 -34.221 227 HD1 PHE 30 HD1 PHE 30 -9.490 -10.334 -32.383 228 HD2 PHE 30 HD2 PHE 30 -11.961 -6.965 -31.567 229 HE1 PHE 30 HE1 PHE 30 -9.999 -11.250 -30.156 230 HE2 PHE 30 HE2 PHE 30 -12.472 -7.875 -29.339 231 HZ PHE 30 HZ PHE 30 -11.490 -10.020 -28.630 232 H LYS 31 H LYS 31 -8.584 -5.921 -35.289 233 HA LYS 31 HA LYS 31 -9.080 -7.092 -37.799 234 HB2 LYS 31 2HB LYS 31 -7.514 -4.587 -37.149 235 HB3 LYS 31 3HB LYS 31 -8.139 -5.018 -38.736 236 HG2 LYS 31 2HG LYS 31 -10.003 -4.798 -36.415 237 HG3 LYS 31 3HG LYS 31 -9.437 -3.343 -37.240 238 HD2 LYS 31 2HD LYS 31 -10.250 -4.277 -39.377 239 HD3 LYS 31 3HD LYS 31 -10.877 -5.677 -38.503 240 HE2 LYS 31 2HE LYS 31 -12.518 -4.423 -37.427 241 HE3 LYS 31 3HE LYS 31 -11.686 -2.898 -37.730 242 HZ1 LYS 31 1HZ LYS 31 -12.977 -2.653 -39.495 243 HZ2 LYS 31 2HZ LYS 31 -13.645 -4.194 -39.303 244 HZ3 LYS 31 3HZ LYS 31 -12.232 -3.993 -40.209 245 H GLN 32 H GLN 32 -5.981 -6.040 -36.373 246 HA GLN 32 HA GLN 32 -4.333 -7.059 -38.383 247 HB2 GLN 32 2HB GLN 32 -3.726 -5.482 -36.466 248 HB3 GLN 32 3HB GLN 32 -3.550 -6.925 -35.476 249 HG2 GLN 32 2HG GLN 32 -1.709 -7.676 -36.671 250 HG3 GLN 32 3HG GLN 32 -2.080 -6.664 -38.066 251 HE21 GLN 32 1HE2 GLN 32 -0.490 -5.266 -38.303 252 HE22 GLN 32 2HE2 GLN 32 0.222 -4.316 -37.049 253 H TYR 33 H TYR 33 -5.951 -8.641 -35.760 254 HA TYR 33 HA TYR 33 -4.348 -11.041 -35.914 255 HB2 TYR 33 2HB TYR 33 -6.695 -10.145 -34.295 256 HB3 TYR 33 3HB TYR 33 -6.358 -11.868 -34.417 257 HD1 TYR 33 HD1 TYR 33 -4.423 -8.718 -33.824 258 HD2 TYR 33 HD2 TYR 33 -5.121 -12.761 -32.697 259 HE1 TYR 33 HE1 TYR 33 -2.736 -8.507 -32.046 260 HE2 TYR 33 HE2 TYR 33 -3.437 -12.561 -30.915 261 HH TYR 33 HH TYR 33 -1.394 -9.743 -30.625 262 H PHE 34 H PHE 34 -7.283 -9.808 -37.290 263 HA PHE 34 HA PHE 34 -8.626 -12.117 -38.004 264 HB2 PHE 34 2HB PHE 34 -9.260 -9.628 -38.366 265 HB3 PHE 34 3HB PHE 34 -8.414 -9.794 -39.900 266 HD1 PHE 34 HD1 PHE 34 -11.008 -11.564 -37.887 267 HD2 PHE 34 HD2 PHE 34 -9.645 -10.385 -41.743 268 HE1 PHE 34 HE1 PHE 34 -13.038 -12.523 -38.894 269 HE2 PHE 34 HE2 PHE 34 -11.673 -11.342 -42.756 270 HZ PHE 34 HZ PHE 34 -13.373 -12.412 -41.331 271 H ASN 35 H ASN 35 -5.804 -10.638 -39.472 272 HA ASN 35 HA ASN 35 -5.812 -12.444 -41.728 273 HB2 ASN 35 2HB ASN 35 -4.944 -10.037 -41.743 274 HB3 ASN 35 3HB ASN 35 -3.537 -10.654 -40.883 275 HD21 ASN 35 1HD2 ASN 35 -4.737 -9.919 -43.847 276 HD22 ASN 35 2HD2 ASN 35 -3.698 -10.891 -44.828 277 H ASP 36 H ASP 36 -4.295 -12.210 -38.596 278 HA ASP 36 HA ASP 36 -2.143 -13.936 -38.903 279 HB2 ASP 36 2HB ASP 36 -2.756 -12.542 -36.865 280 HB3 ASP 36 3HB ASP 36 -3.871 -13.834 -36.431 281 H ASN 37 H ASN 37 -5.518 -14.689 -38.106 282 HA ASN 37 HA ASN 37 -4.918 -17.547 -38.407 283 HB2 ASN 37 2HB ASN 37 -6.997 -15.998 -36.943 284 HB3 ASN 37 3HB ASN 37 -7.454 -17.581 -37.563 285 HD21 ASN 37 1HD2 ASN 37 -7.281 -16.813 -34.831 286 HD22 ASN 37 2HD2 ASN 37 -6.072 -17.800 -34.091 287 H GLY 38 H GLY 38 -6.470 -14.897 -39.945 288 HA2 GLY 38 2HA GLY 38 -7.585 -14.717 -41.943 289 HA3 GLY 38 3HA GLY 38 -6.910 -16.290 -42.343 290 H LEU 39 H LEU 39 -8.893 -15.958 -39.521 291 HA LEU 39 HA LEU 39 -10.796 -17.832 -40.596 292 HB2 LEU 39 2HB LEU 39 -10.313 -16.540 -37.961 293 HB3 LEU 39 3HB LEU 39 -11.910 -17.215 -38.281 294 HG LEU 39 HG LEU 39 -9.336 -18.778 -38.441 295 HD11 LEU 39 1HD1 LEU 39 -10.143 -19.815 -36.325 296 HD12 LEU 39 2HD1 LEU 39 -11.366 -18.549 -36.228 297 HD13 LEU 39 3HD1 LEU 39 -9.655 -18.128 -36.162 298 HD21 LEU 39 1HD2 LEU 39 -10.544 -20.475 -39.224 299 HD22 LEU 39 2HD2 LEU 39 -11.837 -19.311 -39.513 300 HD23 LEU 39 3HD2 LEU 39 -11.801 -20.235 -38.010 301 H ASP 40 H ASP 40 -13.101 -17.477 -40.640 302 HA ASP 40 HA ASP 40 -13.774 -14.688 -41.302 303 HB2 ASP 40 2HB ASP 40 -15.221 -17.182 -42.211 304 HB3 ASP 40 3HB ASP 40 -15.465 -15.537 -42.793 305 H GLY 41 H GLY 41 -13.780 -15.657 -38.613 306 HA2 GLY 41 2HA GLY 41 -16.451 -16.328 -37.829 307 HA3 GLY 41 3HA GLY 41 -15.137 -15.863 -36.759 308 H GLU 42 H GLU 42 -17.898 -15.053 -36.590 309 HA GLU 42 HA GLU 42 -17.697 -12.183 -37.206 310 HB2 GLU 42 2HB GLU 42 -20.138 -13.863 -36.607 311 HB3 GLU 42 3HB GLU 42 -20.154 -12.137 -36.937 312 HG2 GLU 42 2HG GLU 42 -19.137 -12.650 -39.169 313 HG3 GLU 42 3HG GLU 42 -19.410 -14.357 -38.821 314 H TRP 43 H TRP 43 -17.093 -10.962 -35.555 315 HA TRP 43 HA TRP 43 -17.299 -11.886 -32.837 316 HB2 TRP 43 2HB TRP 43 -16.011 -9.625 -34.248 317 HB3 TRP 43 3HB TRP 43 -16.487 -9.318 -32.579 318 HD1 TRP 43 HD1 TRP 43 -14.742 -9.970 -30.828 319 HE1 TRP 43 HE1 TRP 43 -12.682 -11.511 -30.761 320 HE3 TRP 43 HE3 TRP 43 -15.129 -12.047 -35.484 321 HZ2 TRP 43 HZ2 TRP 43 -11.391 -13.362 -32.457 322 HZ3 TRP 43 HZ3 TRP 43 -13.441 -13.694 -36.184 323 HH2 TRP 43 HH2 TRP 43 -11.611 -14.336 -34.701 324 H THR 44 H THR 44 -18.571 -11.062 -31.203 325 HA THR 44 HA THR 44 -20.603 -9.075 -31.944 326 HB THR 44 HB THR 44 -21.460 -11.326 -30.192 327 HG1 THR 44 HG1 THR 44 -21.425 -11.510 -33.037 328 HG21 THR 44 1HG2 THR 44 -22.656 -9.212 -31.830 329 HG22 THR 44 2HG2 THR 44 -23.287 -10.033 -30.403 330 HG23 THR 44 3HG2 THR 44 -23.448 -10.779 -31.993 331 H TYR 45 H TYR 45 -21.809 -8.288 -29.963 332 HA TYR 45 HA TYR 45 -19.964 -8.137 -27.668 333 HB2 TYR 45 2HB TYR 45 -21.035 -5.842 -27.301 334 HB3 TYR 45 3HB TYR 45 -19.913 -5.993 -28.649 335 HD1 TYR 45 HD1 TYR 45 -23.345 -5.344 -27.659 336 HD2 TYR 45 HD2 TYR 45 -20.773 -6.075 -30.969 337 HE1 TYR 45 HE1 TYR 45 -25.074 -4.487 -29.184 338 HE2 TYR 45 HE2 TYR 45 -22.494 -5.218 -32.502 339 HH TYR 45 HH TYR 45 -25.090 -5.006 -32.421 340 H ASP 46 H ASP 46 -20.763 -9.135 -25.954 341 HA ASP 46 HA ASP 46 -23.680 -9.276 -25.617 342 HB2 ASP 46 2HB ASP 46 -21.464 -10.983 -24.469 343 HB3 ASP 46 3HB ASP 46 -23.160 -11.141 -24.021 344 H ASP 47 H ASP 47 -23.818 -7.143 -24.749 345 HA ASP 47 HA ASP 47 -22.378 -6.160 -22.579 346 HB2 ASP 47 2HB ASP 47 -24.132 -5.009 -24.139 347 HB3 ASP 47 3HB ASP 47 -25.289 -5.514 -22.910 348 H ALA 48 H ALA 48 -24.905 -8.514 -22.700 349 HA ALA 48 HA ALA 48 -26.008 -8.398 -20.174 350 HB1 ALA 48 1HB ALA 48 -25.322 -10.905 -21.704 351 HB2 ALA 48 2HB ALA 48 -26.519 -10.757 -20.416 352 HB3 ALA 48 3HB ALA 48 -26.764 -9.920 -21.949 353 H THR 49 H THR 49 -22.911 -9.739 -21.172 354 HA THR 49 HA THR 49 -22.186 -9.996 -18.333 355 HB THR 49 HB THR 49 -20.922 -12.019 -18.775 356 HG1 THR 49 HG1 THR 49 -20.926 -12.961 -20.822 357 HG21 THR 49 1HG2 THR 49 -23.279 -12.275 -18.152 358 HG22 THR 49 2HG2 THR 49 -22.761 -13.570 -19.231 359 HG23 THR 49 3HG2 THR 49 -23.734 -12.240 -19.855 360 H LYS 50 H LYS 50 -21.678 -8.141 -20.784 361 HA LYS 50 HA LYS 50 -19.968 -6.903 -21.645 362 HB2 LYS 50 2HB LYS 50 -18.961 -7.527 -18.874 363 HB3 LYS 50 3HB LYS 50 -18.076 -6.477 -19.973 364 HG2 LYS 50 2HG LYS 50 -19.272 -4.919 -18.830 365 HG3 LYS 50 3HG LYS 50 -20.409 -5.259 -20.136 366 HD2 LYS 50 2HD LYS 50 -21.698 -5.310 -18.171 367 HD3 LYS 50 3HD LYS 50 -21.424 -7.003 -18.583 368 HE2 LYS 50 2HE LYS 50 -20.993 -6.950 -16.305 369 HE3 LYS 50 3HE LYS 50 -19.383 -6.812 -17.009 370 HZ1 LYS 50 1HZ LYS 50 -19.706 -4.330 -16.780 371 HZ2 LYS 50 2HZ LYS 50 -19.481 -5.193 -15.342 372 HZ3 LYS 50 3HZ LYS 50 -21.031 -4.680 -15.787 373 H THR 51 H THR 51 -19.903 -9.350 -22.726 374 HA THR 51 HA THR 51 -17.024 -9.864 -22.974 375 HB THR 51 HB THR 51 -19.084 -12.072 -22.827 376 HG1 THR 51 HG1 THR 51 -18.293 -12.462 -20.781 377 HG21 THR 51 1HG2 THR 51 -17.467 -13.147 -23.972 378 HG22 THR 51 2HG2 THR 51 -16.643 -13.205 -22.414 379 HG23 THR 51 3HG2 THR 51 -16.245 -11.940 -23.576 380 H PHE 52 H PHE 52 -16.349 -10.610 -25.004 381 HA PHE 52 HA PHE 52 -18.225 -9.997 -27.158 382 HB2 PHE 52 2HB PHE 52 -15.277 -10.591 -27.418 383 HB3 PHE 52 3HB PHE 52 -16.319 -9.780 -28.583 384 HD1 PHE 52 HD1 PHE 52 -13.762 -9.209 -26.416 385 HD2 PHE 52 HD2 PHE 52 -17.630 -7.691 -27.340 386 HE1 PHE 52 HE1 PHE 52 -13.136 -7.034 -25.452 387 HE2 PHE 52 HE2 PHE 52 -17.008 -5.513 -26.379 388 HZ PHE 52 HZ PHE 52 -14.759 -5.182 -25.433 389 H THR 53 H THR 53 -19.347 -11.605 -28.016 390 HA THR 53 HA THR 53 -18.330 -14.339 -27.855 391 HB THR 53 HB THR 53 -20.750 -14.626 -29.030 392 HG1 THR 53 HG1 THR 53 -22.099 -13.030 -28.473 393 HG21 THR 53 1HG2 THR 53 -20.264 -14.255 -26.071 394 HG22 THR 53 2HG2 THR 53 -19.989 -15.739 -26.984 395 HG23 THR 53 3HG2 THR 53 -21.625 -15.109 -26.795 396 H VAL 54 H VAL 54 -17.355 -15.277 -29.518 397 HA VAL 54 HA VAL 54 -17.615 -14.062 -32.178 398 HB VAL 54 HB VAL 54 -15.559 -16.081 -31.277 399 HG11 VAL 54 1HG1 VAL 54 -15.426 -16.190 -33.544 400 HG12 VAL 54 2HG1 VAL 54 -16.072 -14.564 -33.774 401 HG13 VAL 54 3HG1 VAL 54 -14.391 -14.786 -33.284 402 HG21 VAL 54 1HG2 VAL 54 -15.469 -13.071 -31.278 403 HG22 VAL 54 2HG2 VAL 54 -15.217 -14.163 -29.916 404 HG23 VAL 54 3HG2 VAL 54 -14.025 -14.082 -31.213 405 H THR 55 H THR 55 -19.315 -14.973 -33.189 406 HA THR 55 HA THR 55 -19.606 -17.894 -33.106 407 HB THR 55 HB THR 55 -21.608 -15.968 -34.273 408 HG1 THR 55 HG1 THR 55 -21.395 -16.888 -31.581 409 HG21 THR 55 1HG2 THR 55 -23.183 -17.772 -33.835 410 HG22 THR 55 2HG2 THR 55 -21.899 -18.741 -33.111 411 HG23 THR 55 3HG2 THR 55 -21.849 -18.354 -34.831 412 H GLU 56 H GLU 56 -18.378 -18.786 -34.662 413 HA GLU 56 HA GLU 56 -17.939 -17.518 -37.198 414 HB2 GLU 56 2HB GLU 56 -16.690 -19.565 -37.755 415 HB3 GLU 56 3HB GLU 56 -16.194 -18.891 -36.209 416 HG2 GLU 56 2HG GLU 56 -17.426 -20.559 -35.014 417 HG3 GLU 56 3HG GLU 56 -18.137 -21.166 -36.509
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