NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27951 | 2vcd | 15507 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H1 PHE 1 93.327 28.063 5.589 2 H2 PHE 1 H2 PHE 1 92.901 28.022 3.945 3 H3 PHE 1 H3 PHE 1 91.692 28.125 5.129 4 HA PHE 1 HA PHE 1 91.885 25.932 5.751 5 HB2 PHE 1 HB2 PHE 1 92.730 25.958 2.833 6 HB3 PHE 1 HB3 PHE 1 91.928 24.631 3.674 7 HD1 PHE 1 HD1 PHE 1 89.569 24.817 4.373 8 HD2 PHE 1 HD2 PHE 1 91.523 27.960 2.191 9 HE1 PHE 1 HE1 PHE 1 87.366 25.841 3.872 10 HE2 PHE 1 HE2 PHE 1 89.320 28.986 1.691 11 HZ PHE 1 HZ PHE 1 87.241 27.924 2.533 No H/Q in entry = 11 In of MODEL 1 1 H ASN 2 H ASN 2 94.773 27.486 4.953 2 HA ASN 2 HA ASN 2 96.580 25.326 4.721 3 HB2 ASN 2 HB2 ASN 2 96.931 28.147 5.730 4 HB3 ASN 2 HB3 ASN 2 98.267 27.003 5.631 5 HD21 ASN 2 HD21 ASN 2 96.749 29.427 3.895 6 HD22 ASN 2 HD22 ASN 2 97.205 28.961 2.329 No H/Q in entry = 6 In of MODEL 1 1 H LYS 3 H LYS 3 94.742 26.533 7.330 2 HA LYS 3 HA LYS 3 96.234 25.982 9.577 3 HB2 LYS 3 HB2 LYS 3 94.171 26.936 10.003 4 HB3 LYS 3 HB3 LYS 3 93.376 25.864 8.892 5 HG2 LYS 3 HG2 LYS 3 94.084 24.025 10.772 6 HG3 LYS 3 HG3 LYS 3 94.025 25.455 11.782 7 HD2 LYS 3 HD2 LYS 3 91.839 24.626 11.915 8 HD3 LYS 3 HD3 LYS 3 91.695 25.845 10.647 9 HE2 LYS 3 HE2 LYS 3 92.130 23.978 8.981 10 HE3 LYS 3 HE3 LYS 3 91.979 22.856 10.317 11 HZ1 LYS 3 HZ1 LYS 3 89.832 24.738 10.237 12 HZ2 LYS 3 HZ2 LYS 3 89.931 23.823 8.808 13 HZ3 LYS 3 HZ3 LYS 3 89.780 23.044 10.310 No H/Q in entry = 13 In of MODEL 1 1 H LYS 4 H LYS 4 94.436 23.809 7.477 2 HA LYS 4 HA LYS 4 94.838 21.468 8.972 3 HB2 LYS 4 HB2 LYS 4 93.280 22.088 6.902 4 HB3 LYS 4 HB3 LYS 4 94.578 21.317 5.989 5 HG2 LYS 4 HG2 LYS 4 93.174 20.056 8.371 6 HG3 LYS 4 HG3 LYS 4 92.692 19.786 6.706 7 HD2 LYS 4 HD2 LYS 4 95.428 19.261 6.645 8 HD3 LYS 4 HD3 LYS 4 94.939 18.631 8.211 9 HE2 LYS 4 HE2 LYS 4 93.111 17.347 7.094 10 HE3 LYS 4 HE3 LYS 4 93.710 17.903 5.533 11 HZ1 LYS 4 HZ1 LYS 4 95.304 16.368 7.509 12 HZ2 LYS 4 HZ2 LYS 4 94.541 15.690 6.151 13 HZ3 LYS 4 HZ3 LYS 4 95.793 16.816 5.946 No H/Q in entry = 13 In of MODEL 1 1 H ALA 5 H ALA 5 96.762 23.064 6.500 2 HA ALA 5 HA ALA 5 98.636 21.114 5.850 3 HB1 ALA 5 HB1 ALA 5 100.028 22.910 5.135 4 HB2 ALA 5 HB2 ALA 5 99.320 24.010 6.295 5 HB3 ALA 5 HB3 ALA 5 98.377 23.486 4.909 No H/Q in entry = 5 In of MODEL 1 1 H ASP 6 H ASP 6 98.444 23.214 8.627 2 HA ASP 6 HA ASP 6 100.978 22.583 9.716 3 HB2 ASP 6 HB2 ASP 6 98.429 23.552 10.957 4 HB3 ASP 6 HB3 ASP 6 99.928 23.351 11.843 No H/Q in entry = 4 In of MODEL 1 1 H GLU 7 H GLU 7 97.756 21.093 10.024 2 HA GLU 7 HA GLU 7 98.421 19.314 12.123 3 HB2 GLU 7 HB2 GLU 7 96.403 18.841 9.984 4 HB3 GLU 7 HB3 GLU 7 96.373 18.229 11.632 5 HG2 GLU 7 HG2 GLU 7 96.242 20.578 12.437 6 HG3 GLU 7 HG3 GLU 7 96.113 21.099 10.770 No H/Q in entry = 6 In of MODEL 1 1 H ASN 8 H ASN 8 98.187 18.859 8.663 2 HA ASN 8 HA ASN 8 99.035 16.182 8.530 3 HB2 ASN 8 HB2 ASN 8 99.684 18.285 6.480 4 HB3 ASN 8 HB3 ASN 8 99.360 16.574 6.208 5 HD21 ASN 8 HD21 ASN 8 97.908 18.399 4.791 6 HD22 ASN 8 HD22 ASN 8 96.303 18.399 5.324 No H/Q in entry = 6 In of MODEL 1 1 H LYS 9 H LYS 9 100.623 19.234 8.585 2 HA LYS 9 HA LYS 9 103.289 18.432 8.123 3 HB2 LYS 9 HB2 LYS 9 102.802 20.697 7.824 4 HB3 LYS 9 HB3 LYS 9 101.904 20.768 9.306 5 HG2 LYS 9 HG2 LYS 9 103.871 20.770 10.629 6 HG3 LYS 9 HG3 LYS 9 104.867 20.422 9.218 7 HD2 LYS 9 HD2 LYS 9 104.102 22.602 8.236 8 HD3 LYS 9 HD3 LYS 9 103.282 22.938 9.756 9 HE2 LYS 9 HE2 LYS 9 105.383 22.842 10.977 10 HE3 LYS 9 HE3 LYS 9 106.247 22.366 9.516 11 HZ1 LYS 9 HZ1 LYS 9 105.038 24.597 8.697 12 HZ2 LYS 9 HZ2 LYS 9 105.281 24.975 10.333 13 HZ3 LYS 9 HZ3 LYS 9 106.606 24.561 9.352 No H/Q in entry = 13 In of MODEL 1 1 H VAL 10 H VAL 10 101.592 19.106 11.237 2 HA VAL 10 HA VAL 10 103.896 18.301 12.746 3 HB VAL 10 HB VAL 10 101.051 18.779 13.596 No H/Q in entry = 3 In of MODEL 1 1 H LYS 11 H LYS 11 100.755 16.773 12.100 2 HA LYS 11 HA LYS 11 101.279 14.432 13.552 3 HB2 LYS 11 HB2 LYS 11 99.472 15.029 11.251 4 HB3 LYS 11 HB3 LYS 11 99.597 13.414 11.909 5 HG2 LYS 11 HG2 LYS 11 97.782 14.311 13.095 6 HG3 LYS 11 HG3 LYS 11 99.118 14.538 14.213 7 HD2 LYS 11 HD2 LYS 11 99.377 16.872 13.229 8 HD3 LYS 11 HD3 LYS 11 97.849 16.597 12.399 9 HE2 LYS 11 HE2 LYS 11 98.389 16.824 15.349 10 HE3 LYS 11 HE3 LYS 11 97.175 17.658 14.377 11 HZ1 LYS 11 HZ1 LYS 11 96.094 15.478 14.026 12 HZ2 LYS 11 HZ2 LYS 11 97.199 14.782 15.111 13 HZ3 LYS 11 HZ3 LYS 11 96.103 15.961 15.653 No H/Q in entry = 13 In of MODEL 1 1 H GLY 12 H GLY 12 101.920 15.431 10.273 2 HA2 GLY 12 HA2 GLY 12 103.249 14.512 8.617 3 HA3 GLY 12 HA3 GLY 12 102.975 12.958 9.365 No H/Q in entry = 3 In of MODEL 1 1 H GLU 13 H GLU 13 104.638 15.884 10.612 2 HA GLU 13 HA GLU 13 107.249 14.815 10.347 3 HB2 GLU 13 HB2 GLU 13 106.116 16.934 12.183 4 HB3 GLU 13 HB3 GLU 13 107.818 16.480 12.201 5 HG2 GLU 13 HG2 GLU 13 108.032 17.047 9.844 6 HG3 GLU 13 HG3 GLU 13 106.323 17.445 9.762 No H/Q in entry = 6 In of MODEL 1 1 H ALA 14 H ALA 14 104.742 14.472 12.701 2 HA ALA 14 HA ALA 14 106.355 13.180 14.679 3 HB1 ALA 14 HB1 ALA 14 103.376 13.512 14.351 4 HB2 ALA 14 HB2 ALA 14 104.435 14.422 15.424 5 HB3 ALA 14 HB3 ALA 14 104.123 12.716 15.735 No H/Q in entry = 5 In of MODEL 1 1 H PHE 15 H PHE 15 104.254 12.337 12.068 2 HA PHE 15 HA PHE 15 103.810 9.611 12.586 3 HB2 PHE 15 HB2 PHE 15 102.650 11.082 10.925 4 HB3 PHE 15 HB3 PHE 15 104.090 11.011 9.930 5 HD1 PHE 15 HD1 PHE 15 104.476 9.204 8.504 6 HD2 PHE 15 HD2 PHE 15 101.425 8.967 11.511 7 HE1 PHE 15 HE1 PHE 15 103.532 7.194 7.400 8 HE2 PHE 15 HE2 PHE 15 100.509 6.933 10.434 9 HZ PHE 15 HZ PHE 15 101.557 6.065 8.372 No H/Q in entry = 9 In of MODEL 1 1 H LEU 16 H LEU 16 106.263 11.215 10.548 2 HA LEU 16 HA LEU 16 107.624 8.761 9.965 3 HB2 LEU 16 HB2 LEU 16 108.522 11.644 9.773 4 HB3 LEU 16 HB3 LEU 16 109.548 10.294 9.330 5 HG LEU 16 HG LEU 16 107.450 9.597 7.841 6 HD11 LEU 16 HD11 LEU 16 107.029 12.539 8.385 7 HD12 LEU 16 HD12 LEU 16 106.567 11.849 6.832 8 HD13 LEU 16 HD13 LEU 16 105.839 11.242 8.321 9 HD21 LEU 16 HD21 LEU 16 109.570 11.656 7.270 10 HD22 LEU 16 HD22 LEU 16 109.536 9.950 6.851 11 HD23 LEU 16 HD23 LEU 16 108.477 11.076 6.016 No H/Q in entry = 11 In of MODEL 1 1 H THR 17 H THR 17 108.041 11.323 12.328 2 HA THR 17 HA THR 17 110.439 10.350 13.436 3 HB THR 17 HB THR 17 108.302 11.877 14.919 4 HG1 THR 17 HG1 THR 17 109.214 12.725 12.823 5 HG21 THR 17 HG21 THR 17 111.266 11.495 15.304 6 HG22 THR 17 HG22 THR 17 110.302 12.702 16.158 7 HG23 THR 17 HG23 THR 17 109.967 10.990 16.388 No H/Q in entry = 7 In of MODEL 1 1 H GLU 18 H GLU 18 107.063 9.707 14.132 2 HA GLU 18 HA GLU 18 107.620 7.982 16.308 3 HB2 GLU 18 HB2 GLU 18 105.508 9.254 16.100 4 HB3 GLU 18 HB3 GLU 18 105.092 8.251 14.716 5 HG2 GLU 18 HG2 GLU 18 105.147 6.243 16.102 6 HG3 GLU 18 HG3 GLU 18 105.667 7.194 17.492 No H/Q in entry = 6 In of MODEL 1 1 H ASN 19 H ASN 19 106.680 7.489 12.918 2 HA ASN 19 HA ASN 19 106.430 4.704 13.042 3 HB2 ASN 19 HB2 ASN 19 105.618 6.043 11.162 4 HB3 ASN 19 HB3 ASN 19 107.277 6.362 10.680 5 HD21 ASN 19 HD21 ASN 19 107.683 5.098 8.906 6 HD22 ASN 19 HD22 ASN 19 107.293 3.456 8.763 No H/Q in entry = 6 In of MODEL 1 1 H LYS 20 H LYS 20 109.294 6.617 12.184 2 HA LYS 20 HA LYS 20 110.906 4.424 11.495 3 HB2 LYS 20 HB2 LYS 20 112.833 5.854 11.996 4 HB3 LYS 20 HB3 LYS 20 111.617 6.753 11.099 5 HG2 LYS 20 HG2 LYS 20 110.737 7.535 13.362 6 HG3 LYS 20 HG3 LYS 20 112.195 6.840 14.063 7 HD2 LYS 20 HD2 LYS 20 112.197 8.933 11.866 8 HD3 LYS 20 HD3 LYS 20 112.419 9.287 13.582 9 HE2 LYS 20 HE2 LYS 20 114.339 7.551 13.482 10 HE3 LYS 20 HE3 LYS 20 114.232 7.773 11.740 11 HZ1 LYS 20 HZ1 LYS 20 114.456 10.067 13.578 12 HZ2 LYS 20 HZ2 LYS 20 115.829 9.258 12.991 13 HZ3 LYS 20 HZ3 LYS 20 114.768 10.017 11.909 No H/Q in entry = 13 In of MODEL 1 1 H ASN 21 H ASN 21 109.923 5.741 14.554 2 HA ASN 21 HA ASN 21 111.736 4.137 16.130 3 HB2 ASN 21 HB2 ASN 21 109.543 6.085 16.713 4 HB3 ASN 21 HB3 ASN 21 110.132 5.038 17.999 5 HD21 ASN 21 HD21 ASN 21 110.732 7.979 16.355 6 HD22 ASN 21 HD22 ASN 21 112.302 8.250 16.937 No H/Q in entry = 6 In of MODEL 1 1 H LYS 22 H LYS 22 108.407 3.875 15.025 2 HA LYS 22 HA LYS 22 107.521 1.995 16.819 3 HB2 LYS 22 HB2 LYS 22 106.826 2.518 13.978 4 HB3 LYS 22 HB3 LYS 22 106.023 1.236 14.867 5 HG2 LYS 22 HG2 LYS 22 105.661 3.187 16.664 6 HG3 LYS 22 HG3 LYS 22 105.879 4.209 15.258 7 HD2 LYS 22 HD2 LYS 22 103.881 1.938 15.351 8 HD3 LYS 22 HD3 LYS 22 103.484 3.609 15.753 9 HE2 LYS 22 HE2 LYS 22 104.137 4.351 13.537 10 HE3 LYS 22 HE3 LYS 22 104.699 2.732 13.128 11 HZ1 LYS 22 HZ1 LYS 22 102.069 2.532 14.050 12 HZ2 LYS 22 HZ2 LYS 22 102.112 3.784 12.900 13 HZ3 LYS 22 HZ3 LYS 22 102.655 2.228 12.486 No H/Q in entry = 13 In of MODEL 1 1 HA PRO 23 HA PRO 23 110.037 -1.610 16.060 2 HB2 PRO 23 HB2 PRO 23 107.590 -3.250 16.543 3 HB3 PRO 23 HB3 PRO 23 109.180 -3.336 17.326 4 HG2 PRO 23 HG2 PRO 23 107.087 -2.277 18.578 5 HG3 PRO 23 HG3 PRO 23 108.718 -1.598 18.758 6 HD2 PRO 23 HD2 PRO 23 106.409 -0.557 17.143 7 HD3 PRO 23 HD3 PRO 23 107.639 0.321 18.078 No H/Q in entry = 7 In of MODEL 1 1 H GLY 24 H GLY 24 110.499 -3.094 14.493 2 HA2 GLY 24 HA2 GLY 24 108.588 -3.923 12.500 3 HA3 GLY 24 HA3 GLY 24 110.282 -4.390 12.585 No H/Q in entry = 3 In of MODEL 1 1 H VAL 25 H VAL 25 109.568 -1.023 12.766 2 HA VAL 25 HA VAL 25 109.730 -0.578 9.902 3 HB VAL 25 HB VAL 25 109.790 1.418 12.171 No H/Q in entry = 3 In of MODEL 1 1 H VAL 26 H VAL 26 111.431 0.127 8.773 2 HA VAL 26 HA VAL 26 114.012 0.610 10.175 3 HB VAL 26 HB VAL 26 113.494 -0.835 7.564 No H/Q in entry = 3 In of MODEL 1 1 H VAL 27 H VAL 27 114.678 2.666 9.847 2 HA VAL 27 HA VAL 27 113.467 4.180 7.661 3 HB VAL 27 HB VAL 27 113.264 5.191 9.859 No H/Q in entry = 3 In of MODEL 1 1 H LEU 28 H LEU 28 114.502 5.367 6.191 2 HA LEU 28 HA LEU 28 117.323 4.594 5.757 3 HB2 LEU 28 HB2 LEU 28 115.193 5.348 3.751 4 HB3 LEU 28 HB3 LEU 28 116.840 4.949 3.340 5 HG LEU 28 HG LEU 28 114.932 3.061 4.729 6 HD11 LEU 28 HD11 LEU 28 114.335 3.680 2.373 7 HD12 LEU 28 HD12 LEU 28 115.920 3.122 1.860 8 HD13 LEU 28 HD13 LEU 28 114.760 1.982 2.538 9 HD21 LEU 28 HD21 LEU 28 117.759 2.822 3.659 10 HD22 LEU 28 HD22 LEU 28 117.181 2.427 5.278 11 HD23 LEU 28 HD23 LEU 28 116.732 1.418 3.912 No H/Q in entry = 11 In of MODEL 1 1 HA PRO 29 HA PRO 29 118.613 8.778 5.750 2 HB2 PRO 29 HB2 PRO 29 119.820 8.533 3.051 3 HB3 PRO 29 HB3 PRO 29 120.595 8.956 4.588 4 HG2 PRO 29 HG2 PRO 29 120.974 6.579 3.501 5 HG3 PRO 29 HG3 PRO 29 120.760 6.740 5.258 6 HD2 PRO 29 HD2 PRO 29 118.769 5.903 3.185 7 HD3 PRO 29 HD3 PRO 29 119.104 5.169 4.763 No H/Q in entry = 7 In of MODEL 1 1 H SER 30 H SER 30 117.033 7.672 2.821 2 HA SER 30 HA SER 30 116.426 10.224 1.737 3 HB2 SER 30 HB2 SER 30 114.754 7.758 1.286 4 HB3 SER 30 HB3 SER 30 115.114 9.071 0.164 5 HG SER 30 HG SER 30 117.387 8.320 0.448 No H/Q in entry = 5 In of MODEL 1 1 H GLY 31 H GLY 31 115.284 8.530 4.411 2 HA2 GLY 31 HA2 GLY 31 113.083 10.429 4.783 3 HA3 GLY 31 HA3 GLY 31 113.799 9.409 6.024 No H/Q in entry = 3 In of MODEL 1 1 H LEU 32 H LEU 32 113.479 7.518 3.348 2 HA LEU 32 HA LEU 32 110.679 6.896 3.601 3 HB2 LEU 32 HB2 LEU 32 111.905 6.704 1.424 4 HB3 LEU 32 HB3 LEU 32 112.862 5.414 2.103 5 HG LEU 32 HG LEU 32 110.841 4.820 0.579 6 HD11 LEU 32 HD11 LEU 32 112.137 3.193 1.895 7 HD12 LEU 32 HD12 LEU 32 111.029 3.418 3.235 8 HD13 LEU 32 HD13 LEU 32 110.444 2.754 1.722 9 HD21 LEU 32 HD21 LEU 32 109.265 6.275 1.812 10 HD22 LEU 32 HD22 LEU 32 108.696 4.624 1.631 11 HD23 LEU 32 HD23 LEU 32 109.322 5.169 3.174 No H/Q in entry = 11 In of MODEL 1 1 H GLN 33 H GLN 33 109.821 5.281 4.832 2 HA GLN 33 HA GLN 33 111.689 3.518 6.314 3 HB2 GLN 33 HB2 GLN 33 109.109 4.792 7.226 4 HB3 GLN 33 HB3 GLN 33 110.025 3.625 8.148 5 HG2 GLN 33 HG2 GLN 33 111.109 5.421 9.015 6 HG3 GLN 33 HG3 GLN 33 111.928 5.488 7.482 7 HE21 GLN 33 HE21 GLN 33 111.666 7.800 8.932 8 HE22 GLN 33 HE22 GLN 33 110.601 8.818 8.097 No H/Q in entry = 8 In of MODEL 1 1 H TYR 34 H TYR 34 111.231 1.380 6.392 2 HA TYR 34 HA TYR 34 108.625 0.489 5.390 3 HB2 TYR 34 HB2 TYR 34 109.634 -1.275 4.075 4 HB3 TYR 34 HB3 TYR 34 110.197 0.292 3.514 5 HD1 TYR 34 HD1 TYR 34 111.072 -2.595 5.642 6 HD2 TYR 34 HD2 TYR 34 112.513 0.860 3.568 7 HE1 TYR 34 HE1 TYR 34 113.404 -3.340 6.050 8 HE2 TYR 34 HE2 TYR 34 114.844 0.126 3.973 9 HH TYR 34 HH TYR 34 115.576 -3.016 5.346 No H/Q in entry = 9 In of MODEL 1 1 H LYS 35 H LYS 35 107.808 -1.323 6.188 2 HA LYS 35 HA LYS 35 109.279 -2.610 8.386 3 HB2 LYS 35 HB2 LYS 35 107.576 -1.059 9.225 4 HB3 LYS 35 HB3 LYS 35 106.337 -1.910 8.341 5 HG2 LYS 35 HG2 LYS 35 108.017 -3.614 10.035 6 HG3 LYS 35 HG3 LYS 35 107.094 -2.437 10.941 7 HD2 LYS 35 HD2 LYS 35 105.043 -3.216 9.799 8 HD3 LYS 35 HD3 LYS 35 105.998 -4.440 8.962 9 HE2 LYS 35 HE2 LYS 35 104.957 -5.417 10.944 10 HE3 LYS 35 HE3 LYS 35 106.698 -5.349 11.148 11 HZ1 LYS 35 HZ1 LYS 35 105.135 -3.062 12.057 12 HZ2 LYS 35 HZ2 LYS 35 105.060 -4.479 12.992 13 HZ3 LYS 35 HZ3 LYS 35 106.556 -3.728 12.709 No H/Q in entry = 13 In of MODEL 1 1 H VAL 36 H VAL 36 109.298 -4.730 8.330 2 HA VAL 36 HA VAL 36 107.979 -6.027 6.076 3 HB VAL 36 HB VAL 36 110.280 -6.535 6.315 No H/Q in entry = 3 In of MODEL 1 1 H ILE 37 H ILE 37 105.948 -6.487 6.374 2 HA ILE 37 HA ILE 37 104.818 -7.322 8.869 3 HB ILE 37 HB ILE 37 103.625 -7.837 6.144 4 HD11 ILE 37 HD11 ILE 37 103.921 -5.396 8.832 5 HD12 ILE 37 HD12 ILE 37 103.883 -3.960 7.845 6 HD13 ILE 37 HD13 ILE 37 102.390 -4.801 8.248 No H/Q in entry = 6 In of MODEL 1 1 H ASN 38 H ASN 38 105.909 -8.865 5.929 2 HA ASN 38 HA ASN 38 106.143 -11.444 7.311 3 HB2 ASN 38 HB2 ASN 38 104.780 -11.038 4.658 4 HB3 ASN 38 HB3 ASN 38 105.154 -12.585 5.360 5 HD21 ASN 38 HD21 ASN 38 103.234 -9.623 5.980 6 HD22 ASN 38 HD22 ASN 38 102.067 -10.402 6.933 No H/Q in entry = 6 In of MODEL 1 1 H SER 39 H SER 39 108.099 -12.307 6.871 2 HA SER 39 HA SER 39 109.764 -11.072 4.814 3 HB2 SER 39 HB2 SER 39 111.577 -11.995 5.901 4 HB3 SER 39 HB3 SER 39 110.456 -11.787 7.243 5 HG SER 39 HG SER 39 109.769 -14.036 6.580 No H/Q in entry = 5 In of MODEL 1 1 H GLY 40 H GLY 40 110.215 -11.966 2.887 2 HA2 GLY 40 HA2 GLY 40 109.178 -13.452 1.203 3 HA3 GLY 40 HA3 GLY 40 109.367 -14.753 2.371 No H/Q in entry = 3 In of MODEL 1 1 H ASN 41 H ASN 41 111.661 -12.179 1.759 2 HA ASN 41 HA ASN 41 113.821 -12.169 0.992 3 HB2 ASN 41 HB2 ASN 41 113.784 -15.072 1.807 4 HB3 ASN 41 HB3 ASN 41 115.196 -14.026 1.658 5 HD21 ASN 41 HD21 ASN 41 112.841 -12.021 2.833 6 HD22 ASN 41 HD22 ASN 41 113.116 -12.206 4.498 No H/Q in entry = 6 In of MODEL 1 1 H GLY 42 H GLY 42 111.645 -12.850 -0.880 2 HA2 GLY 42 HA2 GLY 42 111.291 -13.987 -2.899 3 HA3 GLY 42 HA3 GLY 42 112.858 -14.757 -2.726 No H/Q in entry = 3 In of MODEL 1 1 H VAL 43 H VAL 43 111.960 -13.707 -5.059 2 HA VAL 43 HA VAL 43 114.075 -11.969 -5.802 3 HB VAL 43 HB VAL 43 113.071 -12.019 -8.018 No H/Q in entry = 3 In of MODEL 1 1 H LYS 44 H LYS 44 113.257 -10.076 -7.335 2 HA LYS 44 HA LYS 44 111.057 -8.544 -6.735 3 HB2 LYS 44 HB2 LYS 44 111.724 -6.884 -5.164 4 HB3 LYS 44 HB3 LYS 44 112.053 -8.417 -4.424 5 HG2 LYS 44 HG2 LYS 44 114.291 -7.116 -5.938 6 HG3 LYS 44 HG3 LYS 44 113.834 -6.432 -4.396 7 HD2 LYS 44 HD2 LYS 44 114.189 -9.404 -4.477 8 HD3 LYS 44 HD3 LYS 44 115.646 -8.424 -4.598 9 HE2 LYS 44 HE2 LYS 44 115.271 -7.428 -2.470 10 HE3 LYS 44 HE3 LYS 44 113.596 -7.947 -2.420 11 HZ1 LYS 44 HZ1 LYS 44 115.589 -10.039 -2.714 12 HZ2 LYS 44 HZ2 LYS 44 115.568 -9.241 -1.214 13 HZ3 LYS 44 HZ3 LYS 44 114.173 -10.007 -1.786 No H/Q in entry = 13 In of MODEL 1 1 HA PRO 45 HA PRO 45 112.841 -6.452 -10.135 2 HB2 PRO 45 HB2 PRO 45 111.129 -4.359 -10.384 3 HB3 PRO 45 HB3 PRO 45 110.656 -6.035 -10.664 4 HG2 PRO 45 HG2 PRO 45 110.009 -4.241 -8.414 5 HG3 PRO 45 HG3 PRO 45 109.170 -5.671 -9.007 6 HD2 PRO 45 HD2 PRO 45 110.931 -5.510 -6.754 7 HD3 PRO 45 HD3 PRO 45 110.058 -6.934 -7.384 No H/Q in entry = 7 In of MODEL 1 1 H GLY 46 H GLY 46 113.869 -4.722 -11.069 2 HA2 GLY 46 HA2 GLY 46 115.634 -3.182 -10.960 3 HA3 GLY 46 HA3 GLY 46 115.272 -2.917 -9.259 No H/Q in entry = 3 In of MODEL 1 1 H LYS 47 H LYS 47 115.610 -0.709 -10.303 2 HA LYS 47 HA LYS 47 113.310 0.760 -10.131 3 HB2 LYS 47 HB2 LYS 47 114.561 2.631 -10.771 4 HB3 LYS 47 HB3 LYS 47 115.731 1.545 -10.045 5 HG2 LYS 47 HG2 LYS 47 115.247 1.791 -13.043 6 HG3 LYS 47 HG3 LYS 47 116.537 2.601 -12.178 7 HD2 LYS 47 HD2 LYS 47 116.159 -0.402 -12.361 8 HD3 LYS 47 HD3 LYS 47 117.343 0.540 -13.254 9 HE2 LYS 47 HE2 LYS 47 117.299 -0.187 -10.355 10 HE3 LYS 47 HE3 LYS 47 118.652 -0.167 -11.476 11 HZ1 LYS 47 HZ1 LYS 47 117.305 2.314 -10.592 12 HZ2 LYS 47 HZ2 LYS 47 118.595 1.632 -9.730 13 HZ3 LYS 47 HZ3 LYS 47 118.825 2.147 -11.332 No H/Q in entry = 13 In of MODEL 1 1 H SER 48 H SER 48 114.531 -0.960 -12.843 2 HA SER 48 HA SER 48 112.521 0.370 -14.612 3 HB2 SER 48 HB2 SER 48 115.186 -0.874 -15.044 4 HB3 SER 48 HB3 SER 48 114.025 -0.972 -16.367 5 HG SER 48 HG SER 48 114.054 1.165 -16.559 No H/Q in entry = 5 In of MODEL 1 1 H ASP 49 H ASP 49 112.960 -2.493 -12.871 2 HA ASP 49 HA ASP 49 111.624 -4.217 -14.843 3 HB2 ASP 49 HB2 ASP 49 112.458 -4.659 -12.016 4 HB3 ASP 49 HB3 ASP 49 111.606 -5.862 -12.942 No H/Q in entry = 4 In of MODEL 1 1 H THR 50 H THR 50 109.599 -5.396 -14.166 2 HA THR 50 HA THR 50 107.738 -3.444 -12.970 3 HB THR 50 HB THR 50 106.957 -5.751 -14.698 4 HG1 THR 50 HG1 THR 50 108.433 -3.951 -15.554 5 HG21 THR 50 HG21 THR 50 105.588 -3.233 -13.806 6 HG22 THR 50 HG22 THR 50 104.999 -4.271 -15.098 7 HG23 THR 50 HG23 THR 50 105.140 -4.920 -13.468 No H/Q in entry = 7 In of MODEL 1 1 H VAL 51 H VAL 51 106.177 -4.066 -11.543 2 HA VAL 51 HA VAL 51 106.716 -6.604 -10.134 3 HB VAL 51 HB VAL 51 107.638 -4.468 -9.103 No H/Q in entry = 3 In of MODEL 1 1 H THR 52 H THR 52 104.963 -7.376 -8.755 2 HA THR 52 HA THR 52 102.274 -6.371 -9.572 3 HB THR 52 HB THR 52 103.103 -9.255 -9.184 4 HG1 THR 52 HG1 THR 52 103.703 -8.966 -11.173 5 HG21 THR 52 HG21 THR 52 100.482 -7.876 -9.619 6 HG22 THR 52 HG22 THR 52 100.737 -9.481 -10.292 7 HG23 THR 52 HG23 THR 52 100.875 -9.239 -8.565 No H/Q in entry = 7 In of MODEL 1 1 H VAL 53 H VAL 53 101.247 -5.629 -7.746 2 HA VAL 53 HA VAL 53 101.633 -7.104 -5.216 3 HB VAL 53 HB VAL 53 102.300 -5.120 -4.029 No H/Q in entry = 3 In of MODEL 1 1 H GLU 54 H GLU 54 100.256 -6.359 -3.430 2 HA GLU 54 HA GLU 54 97.758 -4.963 -4.322 3 HB2 GLU 54 HB2 GLU 54 97.720 -6.823 -1.937 4 HB3 GLU 54 HB3 GLU 54 96.407 -6.228 -2.926 5 HG2 GLU 54 HG2 GLU 54 96.632 -7.827 -4.513 6 HG3 GLU 54 HG3 GLU 54 98.355 -7.968 -4.330 No H/Q in entry = 6 In of MODEL 1 1 H TYR 55 H TYR 55 96.935 -3.376 -2.672 2 HA TYR 55 HA TYR 55 98.552 -3.027 -0.290 3 HB2 TYR 55 HB2 TYR 55 99.353 -0.774 -1.018 4 HB3 TYR 55 HB3 TYR 55 100.021 -2.108 -1.960 5 HD1 TYR 55 HD1 TYR 55 97.387 0.526 -1.947 6 HD2 TYR 55 HD2 TYR 55 99.529 -2.337 -4.301 7 HE1 TYR 55 HE1 TYR 55 96.342 1.451 -3.991 8 HE2 TYR 55 HE2 TYR 55 98.500 -1.407 -6.351 9 HH TYR 55 HH TYR 55 97.449 1.069 -6.936 No H/Q in entry = 9 In of MODEL 1 1 H THR 56 H THR 56 98.024 -1.162 1.016 2 HA THR 56 HA THR 56 95.451 0.102 0.444 3 HB THR 56 HB THR 56 96.173 -1.248 2.988 4 HG1 THR 56 HG1 THR 56 93.799 -0.937 1.499 5 HG21 THR 56 HG21 THR 56 94.295 1.108 2.707 6 HG22 THR 56 HG22 THR 56 94.374 0.057 4.120 7 HG23 THR 56 HG23 THR 56 95.755 1.060 3.690 No H/Q in entry = 7 In of MODEL 1 1 H GLY 57 H GLY 57 95.479 2.268 0.524 2 HA2 GLY 57 HA2 GLY 57 97.041 4.152 0.291 3 HA3 GLY 57 HA3 GLY 57 97.940 3.509 1.659 No H/Q in entry = 3 In of MODEL 1 1 H ARG 58 H ARG 58 97.765 5.042 3.221 2 HA ARG 58 HA ARG 58 95.213 6.365 3.612 3 HB2 ARG 58 HB2 ARG 58 94.814 5.682 5.789 4 HB3 ARG 58 HB3 ARG 58 95.281 4.199 4.968 5 HG2 ARG 58 HG2 ARG 58 97.489 4.241 5.917 6 HG3 ARG 58 HG3 ARG 58 97.281 5.871 6.547 7 HD2 ARG 58 HD2 ARG 58 96.896 4.597 8.444 8 HD3 ARG 58 HD3 ARG 58 95.272 4.834 7.842 9 HE ARG 58 HE ARG 58 95.265 2.590 6.991 10 HH11 ARG 58 HH11 ARG 58 98.093 3.410 8.853 11 HH12 ARG 58 HH12 ARG 58 98.488 1.763 9.197 12 HH21 ARG 58 HH21 ARG 58 95.811 0.450 7.446 13 HH22 ARG 58 HH22 ARG 58 97.209 0.094 8.405 No H/Q in entry = 13 In of MODEL 1 1 H LEU 59 H LEU 59 95.281 7.969 5.333 2 HA LEU 59 HA LEU 59 97.665 9.615 5.078 3 HB2 LEU 59 HB2 LEU 59 94.865 9.946 5.921 4 HB3 LEU 59 HB3 LEU 59 95.980 10.974 6.787 5 HG LEU 59 HG LEU 59 96.874 11.644 4.456 6 HD11 LEU 59 HD11 LEU 59 94.194 10.463 3.705 7 HD12 LEU 59 HD12 LEU 59 95.173 11.463 2.663 8 HD13 LEU 59 HD13 LEU 59 95.742 9.881 3.171 9 HD21 LEU 59 HD21 LEU 59 95.381 13.026 6.002 10 HD22 LEU 59 HD22 LEU 59 95.321 13.425 4.293 11 HD23 LEU 59 HD23 LEU 59 94.031 12.494 5.013 No H/Q in entry = 11 In of MODEL 1 1 H ILE 60 H ILE 60 98.527 10.692 7.013 2 HA ILE 60 HA ILE 60 99.491 8.859 8.928 3 HB ILE 60 HB ILE 60 100.503 10.703 10.004 4 HD11 ILE 60 HD11 ILE 60 99.079 12.960 7.404 5 HD12 ILE 60 HD12 ILE 60 97.645 12.105 7.971 6 HD13 ILE 60 HD13 ILE 60 97.944 13.741 8.509 No H/Q in entry = 6 In of MODEL 1 1 H ASP 61 H ASP 61 96.722 10.810 8.761 2 HA ASP 61 HA ASP 61 96.027 10.595 11.582 3 HB2 ASP 61 HB2 ASP 61 95.761 12.687 10.187 4 HB3 ASP 61 HB3 ASP 61 94.423 11.870 9.372 No H/Q in entry = 4 In of MODEL 1 1 H GLY 62 H GLY 62 95.787 8.547 9.075 2 HA2 GLY 62 HA2 GLY 62 93.510 7.166 10.287 3 HA3 GLY 62 HA3 GLY 62 94.664 6.494 9.167 No H/Q in entry = 3 In of MODEL 1 1 H THR 63 H THR 63 93.653 9.449 7.905 2 HA THR 63 HA THR 63 91.112 8.662 6.839 3 HB THR 63 HB THR 63 92.932 10.657 5.518 4 HG1 THR 63 HG1 THR 63 92.768 10.985 7.831 5 HG21 THR 63 HG21 THR 63 90.724 9.900 4.526 6 HG22 THR 63 HG22 THR 63 89.959 10.693 5.894 7 HG23 THR 63 HG23 THR 63 90.913 11.638 4.756 No H/Q in entry = 7 In of MODEL 1 1 H VAL 64 H VAL 64 91.015 6.805 5.698 2 HA VAL 64 HA VAL 64 93.110 6.016 3.894 3 HB VAL 64 HB VAL 64 90.366 4.854 4.307 No H/Q in entry = 3 In of MODEL 1 1 H PHE 65 H PHE 65 93.443 6.735 1.979 2 HA PHE 65 HA PHE 65 91.160 7.942 0.537 3 HB2 PHE 65 HB2 PHE 65 92.676 9.355 -0.582 4 HB3 PHE 65 HB3 PHE 65 92.999 9.437 1.144 5 HD1 PHE 65 HD1 PHE 65 94.877 7.928 2.050 6 HD2 PHE 65 HD2 PHE 65 94.466 8.996 -2.075 7 HE1 PHE 65 HE1 PHE 65 97.296 7.498 1.711 8 HE2 PHE 65 HE2 PHE 65 96.883 8.577 -2.427 9 HZ PHE 65 HZ PHE 65 98.311 7.828 -0.527 No H/Q in entry = 9 In of MODEL 1 1 H ASP 66 H ASP 66 93.197 5.276 0.501 2 HA ASP 66 HA ASP 66 92.011 4.388 -1.960 3 HB2 ASP 66 HB2 ASP 66 93.970 5.828 -2.688 4 HB3 ASP 66 HB3 ASP 66 95.014 4.594 -1.992 No H/Q in entry = 4 In of MODEL 1 1 H SER 67 H SER 67 92.344 2.175 -2.402 2 HA SER 67 HA SER 67 94.021 0.633 -0.703 3 HB2 SER 67 HB2 SER 67 92.283 -0.649 0.418 4 HB3 SER 67 HB3 SER 67 92.180 1.062 0.834 5 HG SER 67 HG SER 67 90.642 -0.327 -1.119 No H/Q in entry = 5 In of MODEL 1 1 H THR 68 H THR 68 94.158 -1.571 -1.171 2 HA THR 68 HA THR 68 92.758 -2.573 -3.541 3 HB THR 68 HB THR 68 95.775 -2.394 -3.435 4 HG1 THR 68 HG1 THR 68 94.082 -0.556 -4.092 5 HG21 THR 68 HG21 THR 68 93.870 -3.434 -5.540 6 HG22 THR 68 HG22 THR 68 95.609 -3.265 -5.757 7 HG23 THR 68 HG23 THR 68 94.980 -4.398 -4.575 No H/Q in entry = 7 In of MODEL 1 1 H GLU 69 H GLU 69 95.200 -3.107 -1.022 2 HA GLU 69 HA GLU 69 95.249 -5.917 -1.258 3 HB2 GLU 69 HB2 GLU 69 96.243 -5.931 0.959 4 HB3 GLU 69 HB3 GLU 69 96.982 -4.749 -0.105 5 HG2 GLU 69 HG2 GLU 69 96.732 -3.541 1.846 6 HG3 GLU 69 HG3 GLU 69 95.341 -3.086 0.886 No H/Q in entry = 6 In of MODEL 1 1 H LYS 70 H LYS 70 92.995 -3.737 0.181 2 HA LYS 70 HA LYS 70 91.702 -5.479 1.930 3 HB2 LYS 70 HB2 LYS 70 90.496 -3.326 0.200 4 HB3 LYS 70 HB3 LYS 70 89.720 -4.035 1.608 5 HG2 LYS 70 HG2 LYS 70 92.392 -2.650 1.652 6 HG3 LYS 70 HG3 LYS 70 90.888 -1.816 2.014 7 HD2 LYS 70 HD2 LYS 70 92.180 -4.070 3.593 8 HD3 LYS 70 HD3 LYS 70 91.932 -2.413 4.106 9 HE2 LYS 70 HE2 LYS 70 89.400 -2.910 3.740 10 HE3 LYS 70 HE3 LYS 70 89.893 -4.603 3.810 11 HZ1 LYS 70 HZ1 LYS 70 91.057 -4.029 5.925 12 HZ2 LYS 70 HZ2 LYS 70 90.263 -2.528 5.888 13 HZ3 LYS 70 HZ3 LYS 70 89.362 -3.961 5.997 No H/Q in entry = 13 In of MODEL 1 1 H THR 71 H THR 71 91.398 -4.886 -1.496 2 HA THR 71 HA THR 71 89.398 -6.898 -1.974 3 HB THR 71 HB THR 71 89.844 -6.478 -4.323 4 HG1 THR 71 HG1 THR 71 91.687 -4.522 -3.913 5 HG21 THR 71 HG21 THR 71 88.481 -4.846 -3.002 6 HG22 THR 71 HG22 THR 71 89.938 -3.870 -2.805 7 HG23 THR 71 HG23 THR 71 89.264 -4.134 -4.413 No H/Q in entry = 7 In of MODEL 1 1 H GLY 72 H GLY 72 92.884 -6.639 -1.969 2 HA2 GLY 72 HA2 GLY 72 93.186 -9.485 -1.784 3 HA3 GLY 72 HA3 GLY 72 94.476 -8.291 -1.721 No H/Q in entry = 3 In of MODEL 1 1 H LYS 73 H LYS 73 93.180 -7.176 -4.303 2 HA LYS 73 HA LYS 73 94.132 -9.244 -6.175 3 HB2 LYS 73 HB2 LYS 73 92.255 -6.936 -6.376 4 HB3 LYS 73 HB3 LYS 73 93.058 -7.487 -7.848 5 HG2 LYS 73 HG2 LYS 73 91.888 -9.456 -7.927 6 HG3 LYS 73 HG3 LYS 73 91.853 -9.646 -6.176 7 HD2 LYS 73 HD2 LYS 73 90.123 -7.924 -6.009 8 HD3 LYS 73 HD3 LYS 73 90.137 -7.707 -7.759 9 HE2 LYS 73 HE2 LYS 73 89.452 -10.253 -6.278 10 HE3 LYS 73 HE3 LYS 73 88.293 -9.189 -7.069 11 HZ1 LYS 73 HZ1 LYS 73 89.745 -9.566 -9.130 12 HZ2 LYS 73 HZ2 LYS 73 90.353 -10.914 -8.293 13 HZ3 LYS 73 HZ3 LYS 73 88.696 -10.811 -8.654 No H/Q in entry = 13 In of MODEL 1 1 HA PRO 74 HA PRO 74 97.897 -6.866 -6.335 2 HB2 PRO 74 HB2 PRO 74 98.559 -8.605 -8.652 3 HB3 PRO 74 HB3 PRO 74 99.472 -8.284 -7.166 4 HG2 PRO 74 HG2 PRO 74 98.211 -10.594 -7.530 5 HG3 PRO 74 HG3 PRO 74 98.272 -9.812 -5.949 6 HD2 PRO 74 HD2 PRO 74 96.039 -9.881 -7.928 7 HD3 PRO 74 HD3 PRO 74 96.032 -10.074 -6.167 No H/Q in entry = 7 In of MODEL 1 1 H ALA 75 H ALA 75 98.898 -5.371 -7.586 2 HA ALA 75 HA ALA 75 97.598 -4.546 -10.115 3 HB1 ALA 75 HB1 ALA 75 97.265 -3.056 -7.982 4 HB2 ALA 75 HB2 ALA 75 97.728 -2.296 -9.504 5 HB3 ALA 75 HB3 ALA 75 98.944 -2.600 -8.268 No H/Q in entry = 5 In of MODEL 1 1 H THR 76 H THR 76 99.096 -3.829 -11.739 2 HA THR 76 HA THR 76 101.880 -4.610 -11.178 3 HB THR 76 HB THR 76 101.194 -5.857 -12.990 4 HG1 THR 76 HG1 THR 76 103.000 -4.287 -13.403 5 HG21 THR 76 HG21 THR 76 99.639 -3.399 -13.791 6 HG22 THR 76 HG22 THR 76 99.888 -4.749 -14.899 7 HG23 THR 76 HG23 THR 76 99.019 -4.996 -13.385 No H/Q in entry = 7 In of MODEL 1 1 H PHE 77 H PHE 77 103.459 -3.197 -11.090 2 HA PHE 77 HA PHE 77 103.139 -0.595 -12.424 3 HB2 PHE 77 HB2 PHE 77 104.323 -0.927 -9.680 4 HB3 PHE 77 HB3 PHE 77 104.125 0.558 -10.573 5 HD1 PHE 77 HD1 PHE 77 102.900 -0.980 -7.877 6 HD2 PHE 77 HD2 PHE 77 101.473 0.592 -11.603 7 HE1 PHE 77 HE1 PHE 77 100.636 -0.650 -6.874 8 HE2 PHE 77 HE2 PHE 77 99.236 0.919 -10.623 9 HZ PHE 77 HZ PHE 77 98.797 0.274 -8.270 No H/Q in entry = 9 In of MODEL 1 1 H GLN 78 H GLN 78 104.968 0.367 -13.013 2 HA GLN 78 HA GLN 78 107.338 -1.341 -13.141 3 HB2 GLN 78 HB2 GLN 78 106.443 1.066 -14.697 4 HB3 GLN 78 HB3 GLN 78 108.132 0.590 -14.685 5 HG2 GLN 78 HG2 GLN 78 107.393 -1.704 -15.391 6 HG3 GLN 78 HG3 GLN 78 105.781 -1.045 -15.604 7 HE21 GLN 78 HE21 GLN 78 107.879 1.402 -16.281 8 HE22 GLN 78 HE22 GLN 78 108.010 1.224 -17.963 No H/Q in entry = 8 In of MODEL 1 1 H VAL 79 H VAL 79 108.864 -1.021 -11.731 2 HA VAL 79 HA VAL 79 108.615 0.635 -9.576 3 HB VAL 79 HB VAL 79 111.252 -0.229 -10.772 No H/Q in entry = 3 In of MODEL 1 1 H SER 80 H SER 80 109.725 1.493 -12.795 2 HA SER 80 HA SER 80 111.003 3.923 -11.948 3 HB2 SER 80 HB2 SER 80 111.838 2.997 -13.940 4 HB3 SER 80 HB3 SER 80 110.224 2.844 -14.628 5 HG SER 80 HG SER 80 111.790 4.781 -15.079 No H/Q in entry = 5 In of MODEL 1 1 H GLN 81 H GLN 81 107.785 2.997 -12.790 2 HA GLN 81 HA GLN 81 106.927 5.796 -13.176 3 HB2 GLN 81 HB2 GLN 81 105.287 3.265 -13.296 4 HB3 GLN 81 HB3 GLN 81 104.812 4.870 -13.823 5 HG2 GLN 81 HG2 GLN 81 107.062 3.247 -15.013 6 HG3 GLN 81 HG3 GLN 81 105.444 3.490 -15.727 7 HE21 GLN 81 HE21 GLN 81 108.588 4.642 -15.872 8 HE22 GLN 81 HE22 GLN 81 108.269 6.200 -16.457 No H/Q in entry = 8 In of MODEL 1 1 H VAL 82 H VAL 82 107.193 3.540 -10.623 2 HA VAL 82 HA VAL 82 104.790 4.276 -9.205 3 HB VAL 82 HB VAL 82 106.214 2.101 -9.246 No H/Q in entry = 3 In of MODEL 1 1 H ILE 83 H ILE 83 104.867 5.052 -6.909 2 HA ILE 83 HA ILE 83 105.939 7.631 -6.806 3 HB ILE 83 HB ILE 83 105.581 6.601 -4.097 4 HD11 ILE 83 HD11 ILE 83 103.632 5.837 -3.037 5 HD12 ILE 83 HD12 ILE 83 102.457 6.793 -3.946 6 HD13 ILE 83 HD13 ILE 83 102.345 5.032 -3.923 No H/Q in entry = 6 In of MODEL 1 1 HA PRO 84 HA PRO 84 110.279 7.173 -5.992 2 HB2 PRO 84 HB2 PRO 84 109.868 8.986 -3.650 3 HB3 PRO 84 HB3 PRO 84 111.077 9.088 -4.942 4 HG2 PRO 84 HG2 PRO 84 108.964 10.694 -4.913 5 HG3 PRO 84 HG3 PRO 84 109.591 10.031 -6.420 6 HD2 PRO 84 HD2 PRO 84 107.149 9.285 -4.941 7 HD3 PRO 84 HD3 PRO 84 107.449 9.225 -6.677 No H/Q in entry = 7 In of MODEL 1 1 H GLY 85 H GLY 85 108.330 7.326 -3.002 2 HA2 GLY 85 HA2 GLY 85 108.371 5.968 -1.140 3 HA3 GLY 85 HA3 GLY 85 110.112 5.933 -1.345 No H/Q in entry = 3 In of MODEL 1 1 H TRP 86 H TRP 86 107.445 4.813 -3.312 2 HA TRP 86 HA TRP 86 107.678 2.032 -2.791 3 HB2 TRP 86 HB2 TRP 86 106.365 3.775 -4.826 4 HB3 TRP 86 HB3 TRP 86 106.499 2.060 -5.193 5 HD1 TRP 86 HD1 TRP 86 105.339 4.143 -2.111 6 HE1 TRP 86 HE1 TRP 86 103.167 3.090 -1.249 7 HE3 TRP 86 HE3 TRP 86 104.981 0.227 -5.300 8 HZ2 TRP 86 HZ2 TRP 86 101.502 0.839 -1.869 9 HZ3 TRP 86 HZ3 TRP 86 103.101 -1.327 -5.154 10 HH2 TRP 86 HH2 TRP 86 101.353 -1.045 -3.445 No H/Q in entry = 10 In of MODEL 1 1 H THR 87 H THR 87 109.146 4.182 -5.183 2 HA THR 87 HA THR 87 110.125 2.395 -7.003 3 HB THR 87 HB THR 87 111.676 4.760 -5.955 4 HG1 THR 87 HG1 THR 87 109.256 4.819 -6.733 5 HG21 THR 87 HG21 THR 87 112.702 3.143 -7.658 6 HG22 THR 87 HG22 THR 87 111.472 3.723 -8.761 7 HG23 THR 87 HG23 THR 87 112.638 4.838 -8.116 No H/Q in entry = 7 In of MODEL 1 1 H GLU 88 H GLU 88 111.835 3.546 -4.110 2 HA GLU 88 HA GLU 88 113.981 1.690 -4.420 3 HB2 GLU 88 HB2 GLU 88 114.203 3.886 -3.301 4 HB3 GLU 88 HB3 GLU 88 113.203 3.286 -1.975 5 HG2 GLU 88 HG2 GLU 88 114.849 1.475 -1.568 6 HG3 GLU 88 HG3 GLU 88 115.847 2.104 -2.878 No H/Q in entry = 6 In of MODEL 1 1 H ALA 89 H ALA 89 111.114 1.758 -2.330 2 HA ALA 89 HA ALA 89 111.735 -0.365 -0.648 3 HB1 ALA 89 HB1 ALA 89 109.069 0.589 -1.650 4 HB2 ALA 89 HB2 ALA 89 109.873 1.021 -0.143 5 HB3 ALA 89 HB3 ALA 89 109.269 -0.615 -0.384 No H/Q in entry = 5 In of MODEL 1 1 H LEU 90 H LEU 90 109.976 -0.565 -3.780 2 HA LEU 90 HA LEU 90 109.373 -3.306 -3.639 3 HB2 LEU 90 HB2 LEU 90 110.070 -1.665 -6.092 4 HB3 LEU 90 HB3 LEU 90 109.254 -3.214 -6.101 5 HG LEU 90 HG LEU 90 108.159 -0.845 -4.590 6 HD11 LEU 90 HD11 LEU 90 107.689 -1.659 -7.453 7 HD12 LEU 90 HD12 LEU 90 106.717 -0.478 -6.604 8 HD13 LEU 90 HD13 LEU 90 108.423 -0.174 -6.903 9 HD21 LEU 90 HD21 LEU 90 107.035 -3.434 -5.595 10 HD22 LEU 90 HD22 LEU 90 107.119 -2.886 -3.941 11 HD23 LEU 90 HD23 LEU 90 106.019 -2.122 -5.081 No H/Q in entry = 11 In of MODEL 1 1 H GLN 91 H GLN 91 112.193 -1.575 -4.828 2 HA GLN 91 HA GLN 91 113.619 -3.743 -5.874 3 HB2 GLN 91 HB2 GLN 91 114.638 -1.175 -4.670 4 HB3 GLN 91 HB3 GLN 91 115.564 -2.250 -5.710 5 HG2 GLN 91 HG2 GLN 91 114.045 -1.869 -7.556 6 HG3 GLN 91 HG3 GLN 91 112.952 -0.956 -6.523 7 HE21 GLN 91 HE21 GLN 91 113.215 0.996 -7.841 8 HE22 GLN 91 HE22 GLN 91 114.652 1.892 -7.818 No H/Q in entry = 8 In of MODEL 1 1 H LEU 92 H LEU 92 113.085 -2.661 -2.628 2 HA LEU 92 HA LEU 92 115.233 -4.414 -1.587 3 HB2 LEU 92 HB2 LEU 92 113.548 -2.340 -0.173 4 HB3 LEU 92 HB3 LEU 92 114.869 -3.259 0.544 5 HG LEU 92 HG LEU 92 115.169 -1.371 -1.800 6 HD11 LEU 92 HD11 LEU 92 115.838 -1.030 1.107 7 HD12 LEU 92 HD12 LEU 92 116.265 0.095 -0.185 8 HD13 LEU 92 HD13 LEU 92 114.575 -0.186 0.214 9 HD21 LEU 92 HD21 LEU 92 117.077 -3.061 -0.220 10 HD22 LEU 92 HD22 LEU 92 116.938 -2.915 -1.970 11 HD23 LEU 92 HD23 LEU 92 117.621 -1.596 -1.030 No H/Q in entry = 11 In of MODEL 1 1 H MET 93 H MET 93 111.871 -4.340 -2.089 2 HA MET 93 HA MET 93 111.226 -6.021 0.186 3 HB2 MET 93 HB2 MET 93 109.625 -4.357 -0.572 4 HB3 MET 93 HB3 MET 93 109.534 -5.147 -2.145 5 HG2 MET 93 HG2 MET 93 108.475 -7.056 -1.260 6 HG3 MET 93 HG3 MET 93 108.986 -6.696 0.387 7 HE1 MET 93 HE1 MET 93 107.305 -5.596 -2.641 8 HE2 MET 93 HE2 MET 93 105.634 -5.765 -2.119 9 HE3 MET 93 HE3 MET 93 106.373 -4.171 -2.186 No H/Q in entry = 9 In of MODEL 1 1 HA PRO 94 HA PRO 94 112.253 -9.651 -2.464 2 HB2 PRO 94 HB2 PRO 94 111.727 -11.198 -0.018 3 HB3 PRO 94 HB3 PRO 94 113.194 -11.135 -1.003 4 HG2 PRO 94 HG2 PRO 94 113.086 -10.035 1.429 5 HG3 PRO 94 HG3 PRO 94 114.008 -9.287 0.104 6 HD2 PRO 94 HD2 PRO 94 111.286 -8.572 1.138 7 HD3 PRO 94 HD3 PRO 94 112.641 -7.532 0.718 No H/Q in entry = 7 In of MODEL 1 1 H ALA 95 H ALA 95 111.041 -11.199 -3.466 2 HA ALA 95 HA ALA 95 108.245 -10.861 -3.407 3 HB1 ALA 95 HB1 ALA 95 109.918 -12.960 -4.735 4 HB2 ALA 95 HB2 ALA 95 108.174 -12.786 -4.964 5 HB3 ALA 95 HB3 ALA 95 109.259 -11.492 -5.457 No H/Q in entry = 5 In of MODEL 1 1 H GLY 96 H GLY 96 106.671 -11.779 -2.410 2 HA2 GLY 96 HA2 GLY 96 107.135 -14.273 -0.907 3 HA3 GLY 96 HA3 GLY 96 105.573 -13.586 -1.356 No H/Q in entry = 3 In of MODEL 1 1 H SER 97 H SER 97 107.965 -11.359 -0.331 2 HA SER 97 HA SER 97 107.161 -11.405 2.469 3 HB2 SER 97 HB2 SER 97 109.011 -10.047 2.856 4 HB3 SER 97 HB3 SER 97 109.544 -10.921 1.420 5 HG SER 97 HG SER 97 108.610 -8.287 1.699 No H/Q in entry = 5 In of MODEL 1 1 H THR 98 H THR 98 105.837 -9.990 3.421 2 HA THR 98 HA THR 98 104.556 -7.939 1.734 3 HB THR 98 HB THR 98 103.506 -9.207 4.267 4 HG1 THR 98 HG1 THR 98 103.662 -10.392 2.090 5 HG21 THR 98 HG21 THR 98 102.402 -7.213 2.282 6 HG22 THR 98 HG22 THR 98 101.401 -8.096 3.434 7 HG23 THR 98 HG23 THR 98 102.655 -7.000 4.010 No H/Q in entry = 7 In of MODEL 1 1 H TRP 99 H TRP 99 105.341 -5.969 2.069 2 HA TRP 99 HA TRP 99 106.235 -5.268 4.805 3 HB2 TRP 99 HB2 TRP 99 107.117 -4.185 2.127 4 HB3 TRP 99 HB3 TRP 99 107.572 -3.473 3.659 5 HD1 TRP 99 HD1 TRP 99 107.604 -7.177 3.981 6 HE1 TRP 99 HE1 TRP 99 109.988 -8.063 3.858 7 HE3 TRP 99 HE3 TRP 99 109.932 -2.972 2.280 8 HZ2 TRP 99 HZ2 TRP 99 112.598 -7.094 3.133 9 HZ3 TRP 99 HZ3 TRP 99 112.387 -2.985 1.888 10 HH2 TRP 99 HH2 TRP 99 113.716 -5.035 2.319 No H/Q in entry = 10 In of MODEL 1 1 H GLU 100 H GLU 100 106.132 -2.968 5.268 2 HA GLU 100 HA GLU 100 103.871 -1.533 4.048 3 HB2 GLU 100 HB2 GLU 100 104.456 -1.894 6.986 4 HB3 GLU 100 HB3 GLU 100 103.557 -0.502 6.398 5 HG2 GLU 100 HG2 GLU 100 101.886 -1.938 5.414 6 HG3 GLU 100 HG3 GLU 100 102.796 -3.369 5.844 No H/Q in entry = 6 In of MODEL 1 1 H ILE 101 H ILE 101 104.529 0.472 3.359 2 HA ILE 101 HA ILE 101 106.992 1.510 4.531 3 HB ILE 101 HB ILE 101 107.954 2.040 2.520 4 HD11 ILE 101 HD11 ILE 101 108.047 2.700 0.291 5 HD12 ILE 101 HD12 ILE 101 107.253 1.239 -0.279 6 HD13 ILE 101 HD13 ILE 101 106.615 2.810 -0.712 No H/Q in entry = 6 In of MODEL 1 1 H TYR 102 H TYR 102 107.120 3.502 5.074 2 HA TYR 102 HA TYR 102 104.665 5.134 4.905 3 HB2 TYR 102 HB2 TYR 102 107.009 5.308 6.808 4 HB3 TYR 102 HB3 TYR 102 105.515 6.195 6.946 5 HD1 TYR 102 HD1 TYR 102 106.381 2.532 6.399 6 HD2 TYR 102 HD2 TYR 102 104.198 5.389 8.718 7 HE1 TYR 102 HE1 TYR 102 105.395 0.711 7.671 8 HE2 TYR 102 HE2 TYR 102 103.211 3.548 10.034 9 HH TYR 102 HH TYR 102 103.445 0.275 9.072 No H/Q in entry = 9 In of MODEL 1 1 H VAL 103 H VAL 103 104.927 6.311 3.114 2 HA VAL 103 HA VAL 103 107.493 7.205 2.270 3 HB VAL 103 HB VAL 103 104.902 7.797 0.947 No H/Q in entry = 3 In of MODEL 1 1 HA PRO 104 HA PRO 104 107.112 11.289 4.187 2 HB2 PRO 104 HB2 PRO 104 109.332 11.784 2.239 3 HB3 PRO 104 HB3 PRO 104 109.265 12.152 3.974 4 HG2 PRO 104 HG2 PRO 104 110.711 10.101 2.991 5 HG3 PRO 104 HG3 PRO 104 109.958 10.044 4.577 6 HD2 PRO 104 HD2 PRO 104 109.206 8.628 2.109 7 HD3 PRO 104 HD3 PRO 104 108.860 8.214 3.805 No H/Q in entry = 7 In of MODEL 1 1 H SER 105 H SER 105 106.010 13.108 3.409 2 HA SER 105 HA SER 105 104.511 12.968 1.131 3 HB2 SER 105 HB2 SER 105 104.175 15.388 1.321 4 HB3 SER 105 HB3 SER 105 104.122 14.618 2.904 5 HG SER 105 HG SER 105 106.492 15.146 2.901 No H/Q in entry = 5 In of MODEL 1 1 H GLY 106 H GLY 106 107.804 14.147 1.444 2 HA2 GLY 106 HA2 GLY 106 109.361 14.794 -0.130 3 HA3 GLY 106 HA3 GLY 106 108.017 15.334 -1.132 No H/Q in entry = 3 In of MODEL 1 1 H LEU 107 H LEU 107 108.393 12.055 0.059 2 HA LEU 107 HA LEU 107 109.325 11.129 -2.586 3 HB2 LEU 107 HB2 LEU 107 109.088 9.649 0.052 4 HB3 LEU 107 HB3 LEU 107 109.738 8.968 -1.416 5 HG LEU 107 HG LEU 107 110.886 11.293 0.148 6 HD11 LEU 107 HD11 LEU 107 111.304 9.000 1.066 7 HD12 LEU 107 HD12 LEU 107 112.052 8.578 -0.467 8 HD13 LEU 107 HD13 LEU 107 112.774 9.818 0.548 9 HD21 LEU 107 HD21 LEU 107 111.500 10.239 -2.586 10 HD22 LEU 107 HD22 LEU 107 111.449 11.906 -2.030 11 HD23 LEU 107 HD23 LEU 107 112.815 10.877 -1.608 No H/Q in entry = 11 In of MODEL 1 1 H ALA 108 H ALA 108 106.411 11.735 -1.188 2 HA ALA 108 HA ALA 108 105.102 9.349 -2.317 3 HB1 ALA 108 HB1 ALA 108 103.910 11.387 -0.445 4 HB2 ALA 108 HB2 ALA 108 103.242 9.831 -0.897 5 HB3 ALA 108 HB3 ALA 108 104.679 9.919 0.088 No H/Q in entry = 5 In of MODEL 1 1 H TYR 109 H TYR 109 102.912 11.816 -1.731 2 HA TYR 109 HA TYR 109 102.598 12.276 -4.599 3 HB2 TYR 109 HB2 TYR 109 100.732 12.415 -2.234 4 HB3 TYR 109 HB3 TYR 109 100.283 13.157 -3.777 5 HD1 TYR 109 HD1 TYR 109 100.747 10.049 -1.983 6 HD2 TYR 109 HD2 TYR 109 100.339 11.748 -5.875 7 HE1 TYR 109 HE1 TYR 109 100.446 7.824 -2.914 8 HE2 TYR 109 HE2 TYR 109 100.080 9.502 -6.838 9 HH TYR 109 HH TYR 109 100.869 6.729 -5.140 No H/Q in entry = 9 In of MODEL 1 1 H GLY 110 H GLY 110 104.218 13.822 -2.256 2 HA2 GLY 110 HA2 GLY 110 103.713 16.451 -3.521 3 HA3 GLY 110 HA3 GLY 110 105.247 15.928 -2.859 No H/Q in entry = 3 In of MODEL 1 1 HA PRO 111 HA PRO 111 104.239 17.843 0.996 2 HB2 PRO 111 HB2 PRO 111 105.167 20.347 0.656 3 HB3 PRO 111 HB3 PRO 111 106.253 18.947 0.700 4 HG2 PRO 111 HG2 PRO 111 105.207 20.423 -1.675 5 HG3 PRO 111 HG3 PRO 111 106.855 19.863 -1.338 6 HD2 PRO 111 HD2 PRO 111 105.133 18.487 -2.947 7 HD3 PRO 111 HD3 PRO 111 106.385 17.688 -1.983 No H/Q in entry = 7 In of MODEL 1 1 H ARG 112 H ARG 112 102.718 18.789 -1.874 2 HA ARG 112 HA ARG 112 100.893 20.686 -0.518 3 HB2 ARG 112 HB2 ARG 112 101.188 20.014 -3.453 4 HB3 ARG 112 HB3 ARG 112 100.149 21.265 -2.773 5 HG2 ARG 112 HG2 ARG 112 102.158 22.389 -1.838 6 HG3 ARG 112 HG3 ARG 112 103.171 21.165 -2.610 7 HD2 ARG 112 HD2 ARG 112 103.150 22.971 -4.142 8 HD3 ARG 112 HD3 ARG 112 101.998 21.825 -4.803 9 HE ARG 112 HE ARG 112 100.566 23.526 -3.121 10 HH11 ARG 112 HH11 ARG 112 102.459 23.700 -6.018 11 HH12 ARG 112 HH12 ARG 112 101.586 25.050 -6.664 12 HH21 ARG 112 HH21 ARG 112 99.419 25.279 -3.969 13 HH22 ARG 112 HH22 ARG 112 99.864 25.943 -5.505 No H/Q in entry = 13 In of MODEL 1 1 H SER 113 H SER 113 98.560 20.459 -1.156 2 HA SER 113 HA SER 113 97.697 17.774 -0.682 3 HB2 SER 113 HB2 SER 113 95.911 19.986 -1.690 4 HB3 SER 113 HB3 SER 113 95.532 18.660 -0.600 5 HG SER 113 HG SER 113 96.682 21.112 -0.108 No H/Q in entry = 5 In of MODEL 1 1 H VAL 114 H VAL 114 98.664 16.654 -2.472 2 HA VAL 114 HA VAL 114 97.592 17.322 -5.148 3 HB VAL 114 HB VAL 114 99.776 15.335 -4.486 No H/Q in entry = 3 In of MODEL 1 1 H GLY 115 H GLY 115 95.526 16.450 -3.963 2 HA2 GLY 115 HA2 GLY 115 95.262 13.607 -3.725 3 HA3 GLY 115 HA3 GLY 115 94.642 14.193 -5.264 No H/Q in entry = 3 In of MODEL 1 1 H GLY 116 H GLY 116 92.769 13.060 -3.929 2 HA2 GLY 116 HA2 GLY 116 90.663 13.309 -3.018 3 HA3 GLY 116 HA3 GLY 116 90.818 15.011 -3.398 No H/Q in entry = 3 In of MODEL 1 1 HA PRO 117 HA PRO 117 90.605 14.636 1.254 2 HB2 PRO 117 HB2 PRO 117 91.394 12.339 2.495 3 HB3 PRO 117 HB3 PRO 117 89.769 12.562 1.832 4 HG2 PRO 117 HG2 PRO 117 92.141 11.303 0.553 5 HG3 PRO 117 HG3 PRO 117 90.500 10.662 0.686 6 HD2 PRO 117 HD2 PRO 117 91.280 11.760 -1.568 7 HD3 PRO 117 HD3 PRO 117 89.677 12.173 -0.915 No H/Q in entry = 7 In of MODEL 1 1 H ILE 118 H ILE 118 93.376 13.522 -0.415 2 HA ILE 118 HA ILE 118 95.309 13.802 1.651 3 HB ILE 118 HB ILE 118 95.707 14.235 -1.321 4 HD11 ILE 118 HD11 ILE 118 94.134 12.717 -1.859 5 HD12 ILE 118 HD12 ILE 118 95.007 11.269 -2.335 6 HD13 ILE 118 HD13 ILE 118 93.927 11.236 -0.952 No H/Q in entry = 6 In of MODEL 1 1 H GLY 119 H GLY 119 95.532 15.623 2.725 2 HA2 GLY 119 HA2 GLY 119 95.144 17.836 3.230 3 HA3 GLY 119 HA3 GLY 119 94.812 18.182 1.556 No H/Q in entry = 3 In of MODEL 1 1 HA PRO 120 HA PRO 120 98.730 20.107 1.315 2 HB2 PRO 120 HB2 PRO 120 98.907 21.938 3.370 3 HB3 PRO 120 HB3 PRO 120 97.968 22.194 1.900 4 HG2 PRO 120 HG2 PRO 120 97.030 21.248 4.554 5 HG3 PRO 120 HG3 PRO 120 96.286 22.405 3.474 6 HD2 PRO 120 HD2 PRO 120 95.420 19.876 3.692 7 HD3 PRO 120 HD3 PRO 120 95.397 20.719 2.131 No H/Q in entry = 7 In of MODEL 1 1 H ASN 121 H ASN 121 100.843 19.590 1.817 2 HA ASN 121 HA ASN 121 102.609 18.581 2.919 3 HB2 ASN 121 HB2 ASN 121 102.022 20.680 4.346 4 HB3 ASN 121 HB3 ASN 121 101.366 19.521 5.494 5 HD21 ASN 121 HD21 ASN 121 103.170 17.427 5.439 6 HD22 ASN 121 HD22 ASN 121 104.717 17.969 5.884 No H/Q in entry = 6 In of MODEL 1 1 H GLU 122 H GLU 122 100.800 16.713 2.263 2 HA GLU 122 HA GLU 122 100.167 15.135 4.662 3 HB2 GLU 122 HB2 GLU 122 99.057 15.390 1.970 4 HB3 GLU 122 HB3 GLU 122 99.317 13.719 2.423 5 HG2 GLU 122 HG2 GLU 122 97.101 14.294 3.056 6 HG3 GLU 122 HG3 GLU 122 98.050 14.142 4.536 No H/Q in entry = 6 In of MODEL 1 1 H THR 123 H THR 123 101.262 13.396 5.252 2 HA THR 123 HA THR 123 103.294 12.233 3.444 3 HB THR 123 HB THR 123 102.805 11.866 6.407 4 HG1 THR 123 HG1 THR 123 103.977 13.767 5.257 5 HG21 THR 123 HG21 THR 123 103.596 9.792 5.284 6 HG22 THR 123 HG22 THR 123 104.946 10.691 4.633 7 HG23 THR 123 HG23 THR 123 104.804 10.450 6.370 No H/Q in entry = 7 In of MODEL 1 1 H LEU 124 H LEU 124 102.795 10.327 2.459 2 HA LEU 124 HA LEU 124 100.312 8.942 3.338 3 HB2 LEU 124 HB2 LEU 124 101.671 8.968 0.630 4 HB3 LEU 124 HB3 LEU 124 100.227 8.052 1.019 5 HG LEU 124 HG LEU 124 99.327 9.943 -0.027 6 HD11 LEU 124 HD11 LEU 124 98.394 9.710 2.296 7 HD12 LEU 124 HD12 LEU 124 99.489 11.005 2.761 8 HD13 LEU 124 HD13 LEU 124 98.248 11.311 1.571 9 HD21 LEU 124 HD21 LEU 124 101.487 11.122 -0.238 10 HD22 LEU 124 HD22 LEU 124 100.159 12.200 0.173 11 HD23 LEU 124 HD23 LEU 124 101.295 11.694 1.403 No H/Q in entry = 11 In of MODEL 1 1 H ILE 125 H ILE 125 100.255 6.773 3.583 2 HA ILE 125 HA ILE 125 102.799 5.267 3.500 3 HB ILE 125 HB ILE 125 102.316 5.568 5.823 4 HD11 ILE 125 HD11 ILE 125 102.042 4.048 7.560 5 HD12 ILE 125 HD12 ILE 125 100.688 2.972 7.304 6 HD13 ILE 125 HD13 ILE 125 102.329 2.357 7.226 No H/Q in entry = 6 In of MODEL 1 1 H PHE 126 H PHE 126 102.621 3.118 2.841 2 HA PHE 126 HA PHE 126 99.959 2.183 2.088 3 HB2 PHE 126 HB2 PHE 126 102.192 1.802 0.135 4 HB3 PHE 126 HB3 PHE 126 100.441 1.744 -0.129 5 HD1 PHE 126 HD1 PHE 126 99.318 3.647 -0.945 6 HD2 PHE 126 HD2 PHE 126 103.177 4.056 0.887 7 HE1 PHE 126 HE1 PHE 126 99.372 6.051 -1.575 8 HE2 PHE 126 HE2 PHE 126 103.205 6.447 0.263 9 HZ PHE 126 HZ PHE 126 101.326 7.430 -0.956 No H/Q in entry = 9 In of MODEL 1 1 H LYS 127 H LYS 127 99.732 -0.063 1.909 2 HA LYS 127 HA LYS 127 101.842 -1.587 3.232 3 HB2 LYS 127 HB2 LYS 127 99.304 -2.978 2.657 4 HB3 LYS 127 HB3 LYS 127 100.182 -2.865 4.162 5 HG2 LYS 127 HG2 LYS 127 98.403 -0.716 3.032 6 HG3 LYS 127 HG3 LYS 127 97.956 -1.837 4.305 7 HD2 LYS 127 HD2 LYS 127 99.678 -0.957 5.782 8 HD3 LYS 127 HD3 LYS 127 100.260 0.123 4.531 9 HE2 LYS 127 HE2 LYS 127 98.114 1.294 4.501 10 HE3 LYS 127 HE3 LYS 127 97.469 0.177 5.703 11 HZ1 LYS 127 HZ1 LYS 127 99.928 1.713 6.238 12 HZ2 LYS 127 HZ2 LYS 127 98.401 2.414 6.483 13 HZ3 LYS 127 HZ3 LYS 127 98.845 1.017 7.342 No H/Q in entry = 13 In of MODEL 1 1 H ILE 128 H ILE 128 103.106 -2.859 1.960 2 HA ILE 128 HA ILE 128 101.994 -3.414 -0.752 3 HB ILE 128 HB ILE 128 104.949 -3.161 -0.259 4 HD11 ILE 128 HD11 ILE 128 105.177 -0.693 -2.006 5 HD12 ILE 128 HD12 ILE 128 104.841 0.587 -0.854 6 HD13 ILE 128 HD13 ILE 128 105.956 -0.700 -0.423 No H/Q in entry = 6 In of MODEL 1 1 H HIS 129 H HIS 129 101.591 -5.352 -1.154 2 HA HIS 129 HA HIS 129 103.121 -7.552 0.099 3 HB2 HIS 129 HB2 HIS 129 100.767 -7.656 0.666 4 HB3 HIS 129 HB3 HIS 129 100.321 -7.447 -1.024 5 HD2 HIS 129 HD2 HIS 129 103.125 -10.047 0.077 6 HE1 HIS 129 HE1 HIS 129 99.852 -12.121 -1.627 7 HE2 HIS 129 HE2 HIS 129 102.244 -12.349 -0.833 No H/Q in entry = 7 In of MODEL 1 1 H LEU 130 H LEU 130 104.496 -8.627 -1.230 2 HA LEU 130 HA LEU 130 104.233 -8.112 -4.090 3 HB2 LEU 130 HB2 LEU 130 106.436 -8.222 -2.407 4 HB3 LEU 130 HB3 LEU 130 106.504 -9.726 -3.280 5 HG LEU 130 HG LEU 130 106.236 -7.036 -4.579 6 HD11 LEU 130 HD11 LEU 130 108.463 -7.373 -3.553 7 HD12 LEU 130 HD12 LEU 130 108.622 -8.874 -4.441 8 HD13 LEU 130 HD13 LEU 130 108.567 -7.355 -5.311 9 HD21 LEU 130 HD21 LEU 130 105.225 -8.933 -5.865 10 HD22 LEU 130 HD22 LEU 130 106.610 -8.243 -6.659 11 HD23 LEU 130 HD23 LEU 130 106.786 -9.745 -5.786 No H/Q in entry = 11 In of MODEL 1 1 H ILE 131 H ILE 131 103.006 -9.430 -5.245 2 HA ILE 131 HA ILE 131 102.800 -12.261 -4.525 3 HB ILE 131 HB ILE 131 101.272 -10.514 -6.468 4 HD11 ILE 131 HD11 ILE 131 100.223 -9.002 -5.046 5 HD12 ILE 131 HD12 ILE 131 99.674 -9.436 -3.433 6 HD13 ILE 131 HD13 ILE 131 101.391 -9.324 -3.765 No H/Q in entry = 6 In of MODEL 1 1 H SER 132 H SER 132 103.799 -10.242 -7.319 2 HA SER 132 HA SER 132 105.531 -12.421 -8.194 3 HB2 SER 132 HB2 SER 132 104.520 -12.904 -10.223 4 HB3 SER 132 HB3 SER 132 103.102 -12.618 -9.215 5 HG SER 132 HG SER 132 102.670 -10.921 -10.364 No H/Q in entry = 5 In of MODEL 1 1 H VAL 133 H VAL 133 107.063 -11.780 -9.814 2 HA VAL 133 HA VAL 133 107.363 -8.843 -10.141 3 HB VAL 133 HB VAL 133 109.570 -10.824 -9.511 No H/Q in entry = 3 In of MODEL 1 1 H LYS 134 H LYS 134 108.044 -8.157 -12.104 2 HA LYS 134 HA LYS 134 108.415 -10.151 -14.214 3 HB2 LYS 134 HB2 LYS 134 106.767 -8.031 -14.224 4 HB3 LYS 134 HB3 LYS 134 108.246 -7.255 -14.781 5 HG2 LYS 134 HG2 LYS 134 107.294 -7.934 -16.809 6 HG3 LYS 134 HG3 LYS 134 108.394 -9.268 -16.460 7 HD2 LYS 134 HD2 LYS 134 106.447 -10.425 -15.317 8 HD3 LYS 134 HD3 LYS 134 105.407 -9.171 -15.986 9 HE2 LYS 134 HE2 LYS 134 107.236 -10.896 -17.678 10 HE3 LYS 134 HE3 LYS 134 105.534 -11.258 -17.400 11 HZ1 LYS 134 HZ1 LYS 134 105.355 -8.726 -18.142 12 HZ2 LYS 134 HZ2 LYS 134 106.748 -9.163 -19.010 13 HZ3 LYS 134 HZ3 LYS 134 105.297 -10.015 -19.242 No H/Q in entry = 13 In of MODEL 1 1 H LYS 135 H LYS 135 109.673 -8.193 -15.909 2 HA LYS 135 HA LYS 135 112.025 -7.153 -14.807 3 HB2 LYS 135 HB2 LYS 135 112.161 -9.921 -15.103 4 HB3 LYS 135 HB3 LYS 135 113.019 -9.329 -16.511 5 HG2 LYS 135 HG2 LYS 135 113.597 -8.290 -13.739 6 HG3 LYS 135 HG3 LYS 135 114.378 -9.719 -14.399 7 HD2 LYS 135 HD2 LYS 135 114.352 -7.097 -15.877 8 HD3 LYS 135 HD3 LYS 135 115.602 -7.468 -14.706 9 HE2 LYS 135 HE2 LYS 135 115.338 -9.706 -16.477 10 HE3 LYS 135 HE3 LYS 135 115.476 -8.258 -17.455 11 HZ1 LYS 135 HZ1 LYS 135 117.273 -8.733 -15.163 12 HZ2 LYS 135 HZ2 LYS 135 117.614 -9.379 -16.697 13 HZ3 LYS 135 HZ3 LYS 135 117.495 -7.696 -16.486 No H/Q in entry = 13 In of MODEL 1 1 H SER 136 H SER 136 112.992 -5.799 -16.116 2 HA SER 136 HA SER 136 111.678 -5.035 -18.527 3 HB2 SER 136 HB2 SER 136 113.110 -3.205 -18.513 4 HB3 SER 136 HB3 SER 136 113.146 -3.670 -16.814 5 HG SER 136 HG SER 136 115.248 -3.410 -17.609 No H/Q in entry = 5 In of MODEL 1 1 H SER 137 H SER 137 114.998 -6.234 -17.988 2 HA SER 137 HA SER 137 115.147 -8.193 -19.890 3 HB2 SER 137 HB2 SER 137 114.647 -6.976 -21.788 4 HB3 SER 137 HB3 SER 137 115.233 -5.466 -21.096 5 HG SER 137 HG SER 137 116.533 -7.350 -22.587 No H/Q in entry = 5 In of MODEL 2 1 H1 PHE 1 H1 PHE 1 96.505 28.570 3.054 2 H2 PHE 1 H2 PHE 1 95.091 28.682 2.123 3 H3 PHE 1 H3 PHE 1 94.991 28.666 3.820 4 HA PHE 1 HA PHE 1 94.465 26.509 3.426 5 HB2 PHE 1 HB2 PHE 1 96.139 26.927 0.957 6 HB3 PHE 1 HB3 PHE 1 95.794 25.285 1.496 7 HD1 PHE 1 HD1 PHE 1 93.302 24.735 2.029 8 HD2 PHE 1 HD2 PHE 1 94.560 28.066 -0.375 9 HE1 PHE 1 HE1 PHE 1 91.049 24.845 1.005 10 HE2 PHE 1 HE2 PHE 1 92.302 28.176 -1.400 11 HZ PHE 1 HZ PHE 1 90.546 26.565 -0.709 No H/Q in entry = 11 In of MODEL 2 1 H ASN 2 H ASN 2 97.474 27.986 3.868 2 HA ASN 2 HA ASN 2 99.124 25.745 4.368 3 HB2 ASN 2 HB2 ASN 2 99.254 28.551 5.439 4 HB3 ASN 2 HB3 ASN 2 100.495 27.340 5.715 5 HD21 ASN 2 HD21 ASN 2 99.954 26.231 2.881 6 HD22 ASN 2 HD22 ASN 2 100.756 27.324 1.864 No H/Q in entry = 6 In of MODEL 2 1 H LYS 3 H LYS 3 96.883 27.564 6.397 2 HA LYS 3 HA LYS 3 97.556 26.764 8.927 3 HB2 LYS 3 HB2 LYS 3 95.281 27.150 9.547 4 HB3 LYS 3 HB3 LYS 3 95.583 28.219 8.178 5 HG2 LYS 3 HG2 LYS 3 94.628 26.428 6.670 6 HG3 LYS 3 HG3 LYS 3 94.171 25.538 8.118 7 HD2 LYS 3 HD2 LYS 3 92.762 27.376 8.855 8 HD3 LYS 3 HD3 LYS 3 93.198 28.305 7.413 9 HE2 LYS 3 HE2 LYS 3 92.275 26.567 5.983 10 HE3 LYS 3 HE3 LYS 3 91.958 25.553 7.392 11 HZ1 LYS 3 HZ1 LYS 3 90.810 28.265 7.230 12 HZ2 LYS 3 HZ2 LYS 3 90.064 26.984 6.400 13 HZ3 LYS 3 HZ3 LYS 3 90.241 26.910 8.084 No H/Q in entry = 13 In of MODEL 2 1 H LYS 4 H LYS 4 95.698 24.924 6.526 2 HA LYS 4 HA LYS 4 95.239 22.697 8.211 3 HB2 LYS 4 HB2 LYS 4 94.127 23.483 5.937 4 HB3 LYS 4 HB3 LYS 4 95.299 22.376 5.239 5 HG2 LYS 4 HG2 LYS 4 93.323 21.669 7.421 6 HG3 LYS 4 HG3 LYS 4 93.106 21.298 5.716 7 HD2 LYS 4 HD2 LYS 4 95.348 20.031 5.876 8 HD3 LYS 4 HD3 LYS 4 95.155 20.190 7.624 9 HE2 LYS 4 HE2 LYS 4 92.980 19.083 7.544 10 HE3 LYS 4 HE3 LYS 4 93.086 18.954 5.792 11 HZ1 LYS 4 HZ1 LYS 4 95.361 17.874 7.188 12 HZ2 LYS 4 HZ2 LYS 4 93.906 17.075 7.536 13 HZ3 LYS 4 HZ3 LYS 4 94.438 17.204 5.928 No H/Q in entry = 13 In of MODEL 2 1 H ALA 5 H ALA 5 97.666 23.545 5.838 2 HA ALA 5 HA ALA 5 99.051 21.181 5.479 3 HB1 ALA 5 HB1 ALA 5 100.834 22.529 4.706 4 HB2 ALA 5 HB2 ALA 5 100.419 23.839 5.782 5 HB3 ALA 5 HB3 ALA 5 99.400 23.494 4.397 No H/Q in entry = 5 In of MODEL 2 1 H ASP 6 H ASP 6 99.123 23.446 8.112 2 HA ASP 6 HA ASP 6 101.390 22.426 9.449 3 HB2 ASP 6 HB2 ASP 6 99.007 23.981 10.369 4 HB3 ASP 6 HB3 ASP 6 100.316 23.523 11.444 No H/Q in entry = 4 In of MODEL 2 1 H GLU 7 H GLU 7 97.932 21.576 9.574 2 HA GLU 7 HA GLU 7 98.117 19.857 11.825 3 HB2 GLU 7 HB2 GLU 7 96.187 19.491 9.585 4 HB3 GLU 7 HB3 GLU 7 95.950 19.132 11.289 5 HG2 GLU 7 HG2 GLU 7 96.135 21.560 11.773 6 HG3 GLU 7 HG3 GLU 7 96.231 21.863 10.047 No H/Q in entry = 6 In of MODEL 2 1 H ASN 8 H ASN 8 98.064 19.180 8.384 2 HA ASN 8 HA ASN 8 98.476 16.388 8.549 3 HB2 ASN 8 HB2 ASN 8 99.497 18.244 6.396 4 HB3 ASN 8 HB3 ASN 8 99.076 16.553 6.233 5 HD21 ASN 8 HD21 ASN 8 97.635 17.473 4.457 6 HD22 ASN 8 HD22 ASN 8 96.106 18.045 4.902 No H/Q in entry = 6 In of MODEL 2 1 H LYS 9 H LYS 9 100.533 19.150 8.570 2 HA LYS 9 HA LYS 9 103.046 17.864 8.326 3 HB2 LYS 9 HB2 LYS 9 103.032 20.140 7.840 4 HB3 LYS 9 HB3 LYS 9 102.017 20.496 9.201 5 HG2 LYS 9 HG2 LYS 9 103.828 20.270 10.741 6 HG3 LYS 9 HG3 LYS 9 104.877 19.660 9.463 7 HD2 LYS 9 HD2 LYS 9 104.582 21.853 8.276 8 HD3 LYS 9 HD3 LYS 9 103.687 22.429 9.677 9 HE2 LYS 9 HE2 LYS 9 105.637 22.051 11.119 10 HE3 LYS 9 HE3 LYS 9 106.546 21.433 9.739 11 HZ1 LYS 9 HZ1 LYS 9 105.586 23.828 8.877 12 HZ2 LYS 9 HZ2 LYS 9 106.004 24.139 10.494 13 HZ3 LYS 9 HZ3 LYS 9 107.167 23.530 9.420 No H/Q in entry = 13 In of MODEL 2 1 H VAL 10 H VAL 10 101.303 19.060 11.255 2 HA VAL 10 HA VAL 10 103.323 18.140 13.025 3 HB VAL 10 HB VAL 10 100.432 18.826 13.517 No H/Q in entry = 3 In of MODEL 2 1 H LYS 11 H LYS 11 100.211 16.704 12.077 2 HA LYS 11 HA LYS 11 100.519 14.390 13.656 3 HB2 LYS 11 HB2 LYS 11 98.936 14.966 11.185 4 HB3 LYS 11 HB3 LYS 11 98.944 13.388 11.934 5 HG2 LYS 11 HG2 LYS 11 97.072 14.377 12.928 6 HG3 LYS 11 HG3 LYS 11 98.323 14.667 14.129 7 HD2 LYS 11 HD2 LYS 11 98.702 16.919 13.034 8 HD3 LYS 11 HD3 LYS 11 97.253 16.614 12.075 9 HE2 LYS 11 HE2 LYS 11 97.516 17.025 15.039 10 HE3 LYS 11 HE3 LYS 11 96.415 17.810 13.909 11 HZ1 LYS 11 HZ1 LYS 11 95.610 15.340 13.598 12 HZ2 LYS 11 HZ2 LYS 11 96.220 15.181 15.172 13 HZ3 LYS 11 HZ3 LYS 11 95.004 16.321 14.846 No H/Q in entry = 13 In of MODEL 2 1 H GLY 12 H GLY 12 101.495 15.343 10.460 2 HA2 GLY 12 HA2 GLY 12 102.844 14.334 8.871 3 HA3 GLY 12 HA3 GLY 12 102.543 12.808 9.667 No H/Q in entry = 3 In of MODEL 2 1 H GLU 13 H GLU 13 104.097 15.754 10.972 2 HA GLU 13 HA GLU 13 106.742 14.754 10.787 3 HB2 GLU 13 HB2 GLU 13 105.482 16.797 12.623 4 HB3 GLU 13 HB3 GLU 13 107.177 16.343 12.771 5 HG2 GLU 13 HG2 GLU 13 107.572 16.977 10.442 6 HG3 GLU 13 HG3 GLU 13 105.880 17.422 10.266 No H/Q in entry = 6 In of MODEL 2 1 H ALA 14 H ALA 14 104.157 14.284 13.028 2 HA ALA 14 HA ALA 14 105.689 12.961 15.026 3 HB1 ALA 14 HB1 ALA 14 103.601 14.156 15.556 4 HB2 ALA 14 HB2 ALA 14 102.707 13.000 14.572 5 HB3 ALA 14 HB3 ALA 14 103.524 12.464 16.038 No H/Q in entry = 5 In of MODEL 2 1 H PHE 15 H PHE 15 103.739 12.120 12.281 2 HA PHE 15 HA PHE 15 103.423 9.361 12.682 3 HB2 PHE 15 HB2 PHE 15 102.251 10.887 11.054 4 HB3 PHE 15 HB3 PHE 15 103.710 10.859 10.080 5 HD1 PHE 15 HD1 PHE 15 104.189 9.061 8.654 6 HD2 PHE 15 HD2 PHE 15 101.021 8.749 11.528 7 HE1 PHE 15 HE1 PHE 15 103.348 7.020 7.521 8 HE2 PHE 15 HE2 PHE 15 100.203 6.691 10.415 9 HZ PHE 15 HZ PHE 15 101.367 5.845 8.403 No H/Q in entry = 9 In of MODEL 2 1 H LEU 16 H LEU 16 105.856 11.137 10.766 2 HA LEU 16 HA LEU 16 107.323 8.753 10.149 3 HB2 LEU 16 HB2 LEU 16 108.043 11.679 9.995 4 HB3 LEU 16 HB3 LEU 16 109.210 10.423 9.635 5 HG LEU 16 HG LEU 16 107.264 9.513 8.043 6 HD11 LEU 16 HD11 LEU 16 106.576 12.421 8.486 7 HD12 LEU 16 HD12 LEU 16 106.217 11.630 6.956 8 HD13 LEU 16 HD13 LEU 16 105.505 11.025 8.453 9 HD21 LEU 16 HD21 LEU 16 109.275 11.688 7.556 10 HD22 LEU 16 HD22 LEU 16 109.313 9.995 7.093 11 HD23 LEU 16 HD23 LEU 16 108.243 11.105 6.247 No H/Q in entry = 11 In of MODEL 2 1 H THR 17 H THR 17 107.503 11.186 12.646 2 HA THR 17 HA THR 17 109.931 10.351 13.812 3 HB THR 17 HB THR 17 107.548 11.631 15.141 4 HG1 THR 17 HG1 THR 17 108.765 12.680 13.315 5 HG21 THR 17 HG21 THR 17 110.397 11.206 15.997 6 HG22 THR 17 HG22 THR 17 109.324 12.390 16.747 7 HG23 THR 17 HG23 THR 17 108.927 10.678 16.817 No H/Q in entry = 7 In of MODEL 2 1 H GLU 18 H GLU 18 106.592 9.409 14.298 2 HA GLU 18 HA GLU 18 107.140 7.604 16.399 3 HB2 GLU 18 HB2 GLU 18 104.975 8.733 16.154 4 HB3 GLU 18 HB3 GLU 18 104.718 7.866 14.647 5 HG2 GLU 18 HG2 GLU 18 104.719 5.740 15.804 6 HG3 GLU 18 HG3 GLU 18 105.134 6.524 17.325 No H/Q in entry = 6 In of MODEL 2 1 H ASN 19 H ASN 19 106.398 7.212 12.953 2 HA ASN 19 HA ASN 19 106.328 4.426 12.794 3 HB2 ASN 19 HB2 ASN 19 105.769 5.361 10.756 4 HB3 ASN 19 HB3 ASN 19 106.883 6.682 10.987 5 HD21 ASN 19 HD21 ASN 19 106.413 3.945 9.150 6 HD22 ASN 19 HD22 ASN 19 107.986 3.764 8.568 No H/Q in entry = 6 In of MODEL 2 1 H LYS 20 H LYS 20 109.107 6.536 12.286 2 HA LYS 20 HA LYS 20 110.882 4.470 11.713 3 HB2 LYS 20 HB2 LYS 20 112.683 6.047 12.183 4 HB3 LYS 20 HB3 LYS 20 111.397 6.847 11.289 5 HG2 LYS 20 HG2 LYS 20 110.469 7.572 13.556 6 HG3 LYS 20 HG3 LYS 20 111.989 7.002 14.245 7 HD2 LYS 20 HD2 LYS 20 111.799 9.058 12.023 8 HD3 LYS 20 HD3 LYS 20 112.019 9.453 13.730 9 HE2 LYS 20 HE2 LYS 20 114.065 7.878 13.635 10 HE3 LYS 20 HE3 LYS 20 113.911 8.028 11.889 11 HZ1 LYS 20 HZ1 LYS 20 113.704 10.574 13.036 12 HZ2 LYS 20 HZ2 LYS 20 115.093 9.821 13.652 13 HZ3 LYS 20 HZ3 LYS 20 114.892 9.984 11.973 No H/Q in entry = 13 In of MODEL 2 1 H ASN 21 H ASN 21 109.613 5.629 14.696 2 HA ASN 21 HA ASN 21 111.552 4.267 16.372 3 HB2 ASN 21 HB2 ASN 21 109.142 5.974 16.832 4 HB3 ASN 21 HB3 ASN 21 109.751 4.986 18.152 5 HD21 ASN 21 HD21 ASN 21 110.598 7.671 15.969 6 HD22 ASN 21 HD22 ASN 21 111.904 8.227 16.898 No H/Q in entry = 6 In of MODEL 2 1 H LYS 22 H LYS 22 108.351 3.682 15.098 2 HA LYS 22 HA LYS 22 107.536 1.702 16.821 3 HB2 LYS 22 HB2 LYS 22 106.950 2.290 13.972 4 HB3 LYS 22 HB3 LYS 22 106.217 0.898 14.738 5 HG2 LYS 22 HG2 LYS 22 105.613 2.769 16.602 6 HG3 LYS 22 HG3 LYS 22 105.742 3.810 15.198 7 HD2 LYS 22 HD2 LYS 22 103.998 1.342 15.346 8 HD3 LYS 22 HD3 LYS 22 103.425 2.998 15.551 9 HE2 LYS 22 HE2 LYS 22 104.187 3.565 13.290 10 HE3 LYS 22 HE3 LYS 22 104.816 1.931 13.079 11 HZ1 LYS 22 HZ1 LYS 22 102.413 1.251 13.681 12 HZ2 LYS 22 HZ2 LYS 22 102.020 2.841 13.230 13 HZ3 LYS 22 HZ3 LYS 22 102.749 1.791 12.109 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 23 HA PRO 23 110.395 -1.676 16.040 2 HB2 PRO 23 HB2 PRO 23 108.117 -3.520 16.574 3 HB3 PRO 23 HB3 PRO 23 109.709 -3.439 17.349 4 HG2 PRO 23 HG2 PRO 23 107.494 -2.572 18.575 5 HG3 PRO 23 HG3 PRO 23 109.072 -1.795 18.805 6 HD2 PRO 23 HD2 PRO 23 106.721 -0.840 17.213 7 HD3 PRO 23 HD3 PRO 23 107.940 0.078 18.125 No H/Q in entry = 7 In of MODEL 2 1 H GLY 24 H GLY 24 110.912 -3.138 14.428 2 HA2 GLY 24 HA2 GLY 24 108.958 -4.055 12.500 3 HA3 GLY 24 HA3 GLY 24 110.669 -4.463 12.527 No H/Q in entry = 3 In of MODEL 2 1 H VAL 25 H VAL 25 109.847 -1.144 12.783 2 HA VAL 25 HA VAL 25 109.953 -0.646 9.916 3 HB VAL 25 HB VAL 25 109.884 1.299 12.230 No H/Q in entry = 3 In of MODEL 2 1 H VAL 26 H VAL 26 111.632 0.161 8.823 2 HA VAL 26 HA VAL 26 114.131 0.826 10.292 3 HB VAL 26 HB VAL 26 113.810 -0.655 7.669 No H/Q in entry = 3 In of MODEL 2 1 H VAL 27 H VAL 27 114.635 2.920 10.006 2 HA VAL 27 HA VAL 27 113.343 4.366 7.825 3 HB VAL 27 HB VAL 27 113.112 5.360 10.042 No H/Q in entry = 3 In of MODEL 2 1 H LEU 28 H LEU 28 114.324 5.616 6.346 2 HA LEU 28 HA LEU 28 117.187 4.975 5.922 3 HB2 LEU 28 HB2 LEU 28 115.065 5.688 3.891 4 HB3 LEU 28 HB3 LEU 28 116.736 5.373 3.511 5 HG LEU 28 HG LEU 28 114.879 3.366 4.795 6 HD11 LEU 28 HD11 LEU 28 114.407 4.068 2.379 7 HD12 LEU 28 HD12 LEU 28 115.971 3.387 1.980 8 HD13 LEU 28 HD13 LEU 28 114.702 2.356 2.631 9 HD21 LEU 28 HD21 LEU 28 117.745 3.278 3.822 10 HD22 LEU 28 HD22 LEU 28 117.128 2.819 5.409 11 HD23 LEU 28 HD23 LEU 28 116.774 1.823 4.006 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 29 HA PRO 29 118.308 9.194 6.084 2 HB2 PRO 29 HB2 PRO 29 119.563 9.086 3.396 3 HB3 PRO 29 HB3 PRO 29 120.296 9.502 4.955 4 HG2 PRO 29 HG2 PRO 29 120.808 7.177 3.818 5 HG3 PRO 29 HG3 PRO 29 120.550 7.275 5.571 6 HD2 PRO 29 HD2 PRO 29 118.642 6.407 3.435 7 HD3 PRO 29 HD3 PRO 29 118.977 5.641 4.999 No H/Q in entry = 7 In of MODEL 2 1 H SER 30 H SER 30 116.851 8.092 3.110 2 HA SER 30 HA SER 30 116.115 10.632 2.077 3 HB2 SER 30 HB2 SER 30 114.682 8.023 1.552 4 HB3 SER 30 HB3 SER 30 114.824 9.425 0.487 5 HG SER 30 HG SER 30 116.291 7.770 -0.084 No H/Q in entry = 5 In of MODEL 2 1 H GLY 31 H GLY 31 115.002 8.772 4.668 2 HA2 GLY 31 HA2 GLY 31 112.703 10.551 5.047 3 HA3 GLY 31 HA3 GLY 31 113.458 9.547 6.282 No H/Q in entry = 3 In of MODEL 2 1 H LEU 32 H LEU 32 113.257 7.756 3.508 2 HA LEU 32 HA LEU 32 110.509 6.944 3.732 3 HB2 LEU 32 HB2 LEU 32 111.723 6.889 1.556 4 HB3 LEU 32 HB3 LEU 32 112.794 5.672 2.191 5 HG LEU 32 HG LEU 32 110.829 4.933 0.670 6 HD11 LEU 32 HD11 LEU 32 112.249 3.416 2.038 7 HD12 LEU 32 HD12 LEU 32 111.035 3.498 3.296 8 HD13 LEU 32 HD13 LEU 32 110.627 2.826 1.731 9 HD21 LEU 32 HD21 LEU 32 109.151 6.263 1.912 10 HD22 LEU 32 HD22 LEU 32 108.694 4.589 1.698 11 HD23 LEU 32 HD23 LEU 32 109.272 5.140 3.250 No H/Q in entry = 11 In of MODEL 2 1 H GLN 33 H GLN 33 109.745 5.252 4.906 2 HA GLN 33 HA GLN 33 111.696 3.558 6.355 3 HB2 GLN 33 HB2 GLN 33 109.029 4.620 7.296 4 HB3 GLN 33 HB3 GLN 33 110.083 3.547 8.198 5 HG2 GLN 33 HG2 GLN 33 111.063 5.417 9.027 6 HG3 GLN 33 HG3 GLN 33 111.765 5.619 7.438 7 HE21 GLN 33 HE21 GLN 33 111.261 7.795 9.109 8 HE22 GLN 33 HE22 GLN 33 110.086 8.725 8.330 No H/Q in entry = 8 In of MODEL 2 1 H TYR 34 H TYR 34 111.258 1.400 6.515 2 HA TYR 34 HA TYR 34 108.725 0.417 5.423 3 HB2 TYR 34 HB2 TYR 34 109.820 -1.283 4.084 4 HB3 TYR 34 HB3 TYR 34 110.295 0.321 3.543 5 HD1 TYR 34 HD1 TYR 34 111.344 -2.530 5.658 6 HD2 TYR 34 HD2 TYR 34 112.581 0.996 3.566 7 HE1 TYR 34 HE1 TYR 34 113.715 -3.135 6.062 8 HE2 TYR 34 HE2 TYR 34 114.954 0.397 3.962 9 HH TYR 34 HH TYR 34 115.880 -2.110 6.143 No H/Q in entry = 9 In of MODEL 2 1 H LYS 35 H LYS 35 107.963 -1.397 6.225 2 HA LYS 35 HA LYS 35 109.503 -2.687 8.370 3 HB2 LYS 35 HB2 LYS 35 107.792 -1.193 9.264 4 HB3 LYS 35 HB3 LYS 35 106.551 -2.042 8.373 5 HG2 LYS 35 HG2 LYS 35 108.290 -3.733 10.035 6 HG3 LYS 35 HG3 LYS 35 107.312 -2.609 10.953 7 HD2 LYS 35 HD2 LYS 35 105.302 -3.445 9.813 8 HD3 LYS 35 HD3 LYS 35 106.294 -4.593 8.913 9 HE2 LYS 35 HE2 LYS 35 105.310 -5.686 10.874 10 HE3 LYS 35 HE3 LYS 35 107.054 -5.579 11.041 11 HZ1 LYS 35 HZ1 LYS 35 105.139 -3.642 12.209 12 HZ2 LYS 35 HZ2 LYS 35 105.836 -4.931 13.062 13 HZ3 LYS 35 HZ3 LYS 35 106.820 -3.688 12.455 No H/Q in entry = 13 In of MODEL 2 1 H VAL 36 H VAL 36 109.607 -4.789 8.228 2 HA VAL 36 HA VAL 36 108.230 -6.061 5.990 3 HB VAL 36 HB VAL 36 110.551 -6.519 6.120 No H/Q in entry = 3 In of MODEL 2 1 H ILE 37 H ILE 37 106.233 -6.579 6.346 2 HA ILE 37 HA ILE 37 105.184 -7.448 8.856 3 HB ILE 37 HB ILE 37 103.962 -8.013 6.152 4 HD11 ILE 37 HD11 ILE 37 104.198 -5.566 8.835 5 HD12 ILE 37 HD12 ILE 37 104.119 -4.133 7.850 6 HD13 ILE 37 HD13 ILE 37 102.650 -5.008 8.263 No H/Q in entry = 6 In of MODEL 2 1 H ASN 38 H ASN 38 106.228 -8.977 5.898 2 HA ASN 38 HA ASN 38 106.568 -11.542 7.283 3 HB2 ASN 38 HB2 ASN 38 105.055 -11.115 4.720 4 HB3 ASN 38 HB3 ASN 38 105.533 -12.675 5.318 5 HD21 ASN 38 HD21 ASN 38 103.351 -9.946 5.919 6 HD22 ASN 38 HD22 ASN 38 102.378 -10.759 7.047 No H/Q in entry = 6 In of MODEL 2 1 H SER 39 H SER 39 108.590 -12.268 6.843 2 HA SER 39 HA SER 39 110.097 -11.064 4.658 3 HB2 SER 39 HB2 SER 39 111.996 -11.893 5.667 4 HB3 SER 39 HB3 SER 39 110.947 -11.683 7.068 5 HG SER 39 HG SER 39 110.316 -14.004 6.309 No H/Q in entry = 5 In of MODEL 2 1 H GLY 40 H GLY 40 110.416 -11.977 2.728 2 HA2 GLY 40 HA2 GLY 40 109.382 -13.543 1.141 3 HA3 GLY 40 HA3 GLY 40 109.652 -14.805 2.335 No H/Q in entry = 3 In of MODEL 2 1 H ASN 41 H ASN 41 111.888 -12.214 1.633 2 HA ASN 41 HA ASN 41 114.020 -12.186 0.792 3 HB2 ASN 41 HB2 ASN 41 114.021 -15.088 1.607 4 HB3 ASN 41 HB3 ASN 41 115.427 -14.043 1.397 5 HD21 ASN 41 HD21 ASN 41 113.051 -12.083 2.683 6 HD22 ASN 41 HD22 ASN 41 113.424 -12.251 4.333 No H/Q in entry = 6 In of MODEL 2 1 H GLY 42 H GLY 42 111.806 -12.847 -1.021 2 HA2 GLY 42 HA2 GLY 42 111.388 -13.972 -3.032 3 HA3 GLY 42 HA3 GLY 42 112.950 -14.759 -2.905 No H/Q in entry = 3 In of MODEL 2 1 H VAL 43 H VAL 43 112.017 -13.704 -5.210 2 HA VAL 43 HA VAL 43 114.119 -11.976 -6.009 3 HB VAL 43 HB VAL 43 113.073 -12.006 -8.194 No H/Q in entry = 3 In of MODEL 2 1 H LYS 44 H LYS 44 113.254 -10.059 -7.500 2 HA LYS 44 HA LYS 44 111.088 -8.525 -6.801 3 HB2 LYS 44 HB2 LYS 44 111.814 -6.875 -5.247 4 HB3 LYS 44 HB3 LYS 44 112.167 -8.410 -4.525 5 HG2 LYS 44 HG2 LYS 44 114.354 -7.106 -6.114 6 HG3 LYS 44 HG3 LYS 44 113.955 -6.427 -4.552 7 HD2 LYS 44 HD2 LYS 44 114.307 -9.401 -4.689 8 HD3 LYS 44 HD3 LYS 44 115.754 -8.405 -4.801 9 HE2 LYS 44 HE2 LYS 44 115.455 -7.528 -2.638 10 HE3 LYS 44 HE3 LYS 44 113.740 -7.922 -2.605 11 HZ1 LYS 44 HZ1 LYS 44 115.684 -10.092 -2.907 12 HZ2 LYS 44 HZ2 LYS 44 115.473 -9.400 -1.368 13 HZ3 LYS 44 HZ3 LYS 44 114.157 -10.098 -2.178 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 45 HA PRO 45 112.793 -6.404 -10.224 2 HB2 PRO 45 HB2 PRO 45 111.143 -4.237 -10.342 3 HB3 PRO 45 HB3 PRO 45 110.621 -5.880 -10.711 4 HG2 PRO 45 HG2 PRO 45 110.005 -4.192 -8.384 5 HG3 PRO 45 HG3 PRO 45 109.177 -5.618 -9.009 6 HD2 PRO 45 HD2 PRO 45 110.988 -5.487 -6.784 7 HD3 PRO 45 HD3 PRO 45 110.082 -6.892 -7.405 No H/Q in entry = 7 In of MODEL 2 1 H GLY 46 H GLY 46 113.851 -4.625 -11.111 2 HA2 GLY 46 HA2 GLY 46 115.685 -3.163 -10.913 3 HA3 GLY 46 HA3 GLY 46 115.319 -2.967 -9.201 No H/Q in entry = 3 In of MODEL 2 1 H LYS 47 H LYS 47 115.712 -0.705 -10.186 2 HA LYS 47 HA LYS 47 113.395 0.770 -9.977 3 HB2 LYS 47 HB2 LYS 47 114.624 2.678 -10.758 4 HB3 LYS 47 HB3 LYS 47 115.692 1.710 -9.752 5 HG2 LYS 47 HG2 LYS 47 115.666 1.292 -12.745 6 HG3 LYS 47 HG3 LYS 47 116.543 2.645 -12.070 7 HD2 LYS 47 HD2 LYS 47 118.161 1.317 -11.171 8 HD3 LYS 47 HD3 LYS 47 117.063 0.047 -10.722 9 HE2 LYS 47 HE2 LYS 47 117.028 -0.758 -12.987 10 HE3 LYS 47 HE3 LYS 47 117.998 0.597 -13.541 11 HZ1 LYS 47 HZ1 LYS 47 118.866 -1.414 -11.538 12 HZ2 LYS 47 HZ2 LYS 47 119.314 -1.429 -13.177 13 HZ3 LYS 47 HZ3 LYS 47 119.807 -0.153 -12.169 No H/Q in entry = 13 In of MODEL 2 1 H SER 48 H SER 48 114.658 -0.923 -12.668 2 HA SER 48 HA SER 48 112.789 0.490 -14.481 3 HB2 SER 48 HB2 SER 48 115.262 -1.149 -14.992 4 HB3 SER 48 HB3 SER 48 114.182 -0.614 -16.277 5 HG SER 48 HG SER 48 114.555 1.526 -15.588 No H/Q in entry = 5 In of MODEL 2 1 H ASP 49 H ASP 49 113.000 -2.470 -12.785 2 HA ASP 49 HA ASP 49 111.637 -4.030 -14.868 3 HB2 ASP 49 HB2 ASP 49 112.414 -4.634 -12.048 4 HB3 ASP 49 HB3 ASP 49 111.499 -5.750 -13.026 No H/Q in entry = 4 In of MODEL 2 1 H THR 50 H THR 50 109.542 -5.145 -14.259 2 HA THR 50 HA THR 50 107.764 -3.170 -12.974 3 HB THR 50 HB THR 50 106.866 -5.349 -14.824 4 HG1 THR 50 HG1 THR 50 108.014 -4.230 -16.199 5 HG21 THR 50 HG21 THR 50 105.652 -2.796 -13.847 6 HG22 THR 50 HG22 THR 50 104.993 -3.760 -15.157 7 HG23 THR 50 HG23 THR 50 105.101 -4.451 -13.539 No H/Q in entry = 7 In of MODEL 2 1 H VAL 51 H VAL 51 106.215 -3.784 -11.499 2 HA VAL 51 HA VAL 51 106.727 -6.411 -10.224 3 HB VAL 51 HB VAL 51 107.693 -4.337 -9.121 No H/Q in entry = 3 In of MODEL 2 1 H THR 52 H THR 52 105.016 -7.198 -8.812 2 HA THR 52 HA THR 52 102.310 -6.157 -9.502 3 HB THR 52 HB THR 52 103.158 -9.055 -9.341 4 HG1 THR 52 HG1 THR 52 103.012 -7.239 -11.371 5 HG21 THR 52 HG21 THR 52 100.522 -7.676 -9.678 6 HG22 THR 52 HG22 THR 52 100.795 -9.269 -10.376 7 HG23 THR 52 HG23 THR 52 100.946 -9.049 -8.648 No H/Q in entry = 7 In of MODEL 2 1 H VAL 53 H VAL 53 101.398 -5.493 -7.591 2 HA VAL 53 HA VAL 53 101.759 -7.167 -5.199 3 HB VAL 53 HB VAL 53 102.645 -5.368 -3.882 No H/Q in entry = 3 In of MODEL 2 1 H GLU 54 H GLU 54 100.390 -6.425 -3.349 2 HA GLU 54 HA GLU 54 97.911 -5.003 -4.253 3 HB2 GLU 54 HB2 GLU 54 97.887 -6.858 -1.864 4 HB3 GLU 54 HB3 GLU 54 96.562 -6.267 -2.845 5 HG2 GLU 54 HG2 GLU 54 96.796 -7.875 -4.433 6 HG3 GLU 54 HG3 GLU 54 98.519 -8.005 -4.254 No H/Q in entry = 6 In of MODEL 2 1 H TYR 55 H TYR 55 96.963 -3.549 -2.451 2 HA TYR 55 HA TYR 55 98.647 -3.144 -0.158 3 HB2 TYR 55 HB2 TYR 55 99.381 -0.871 -0.868 4 HB3 TYR 55 HB3 TYR 55 100.027 -2.145 -1.904 5 HD1 TYR 55 HD1 TYR 55 97.329 0.405 -1.628 6 HD2 TYR 55 HD2 TYR 55 99.408 -2.288 -4.217 7 HE1 TYR 55 HE1 TYR 55 96.145 1.384 -3.577 8 HE2 TYR 55 HE2 TYR 55 98.251 -1.300 -6.169 9 HH TYR 55 HH TYR 55 96.297 1.573 -5.895 No H/Q in entry = 9 In of MODEL 2 1 H THR 56 H THR 56 98.044 -1.363 1.225 2 HA THR 56 HA THR 56 95.430 -0.167 0.678 3 HB THR 56 HB THR 56 96.223 -1.493 3.219 4 HG1 THR 56 HG1 THR 56 94.256 -1.651 1.332 5 HG21 THR 56 HG21 THR 56 94.197 0.735 2.914 6 HG22 THR 56 HG22 THR 56 94.339 -0.299 4.334 7 HG23 THR 56 HG23 THR 56 95.653 0.791 3.904 No H/Q in entry = 7 In of MODEL 2 1 H GLY 57 H GLY 57 95.416 1.977 0.734 2 HA2 GLY 57 HA2 GLY 57 96.975 3.881 0.511 3 HA3 GLY 57 HA3 GLY 57 97.816 3.284 1.926 No H/Q in entry = 3 In of MODEL 2 1 H ARG 58 H ARG 58 97.572 4.817 3.449 2 HA ARG 58 HA ARG 58 95.002 6.144 3.708 3 HB2 ARG 58 HB2 ARG 58 94.525 5.499 5.887 4 HB3 ARG 58 HB3 ARG 58 95.059 4.000 5.135 5 HG2 ARG 58 HG2 ARG 58 97.266 4.198 6.123 6 HG3 ARG 58 HG3 ARG 58 96.913 5.799 6.754 7 HD2 ARG 58 HD2 ARG 58 96.590 4.463 8.619 8 HD3 ARG 58 HD3 ARG 58 94.960 4.630 7.991 9 HE ARG 58 HE ARG 58 96.084 2.343 6.815 10 HH11 ARG 58 HH11 ARG 58 95.128 3.567 9.907 11 HH12 ARG 58 HH12 ARG 58 94.748 2.010 10.562 12 HH21 ARG 58 HH21 ARG 58 95.586 0.294 7.667 13 HH22 ARG 58 HH22 ARG 58 95.007 0.158 9.293 No H/Q in entry = 13 In of MODEL 2 1 H LEU 59 H LEU 59 95.003 7.802 5.366 2 HA LEU 59 HA LEU 59 97.402 9.432 5.181 3 HB2 LEU 59 HB2 LEU 59 94.566 9.784 5.872 4 HB3 LEU 59 HB3 LEU 59 95.631 10.819 6.789 5 HG LEU 59 HG LEU 59 96.660 11.430 4.475 6 HD11 LEU 59 HD11 LEU 59 93.978 10.328 3.643 7 HD12 LEU 59 HD12 LEU 59 95.028 11.282 2.638 8 HD13 LEU 59 HD13 LEU 59 95.526 9.688 3.174 9 HD21 LEU 59 HD21 LEU 59 95.146 12.866 5.959 10 HD22 LEU 59 HD22 LEU 59 95.186 13.258 4.247 11 HD23 LEU 59 HD23 LEU 59 93.827 12.374 4.908 No H/Q in entry = 11 In of MODEL 2 1 H ILE 60 H ILE 60 98.240 10.497 7.104 2 HA ILE 60 HA ILE 60 99.076 8.708 9.113 3 HB ILE 60 HB ILE 60 100.033 10.584 10.200 4 HD11 ILE 60 HD11 ILE 60 98.785 12.753 7.430 5 HD12 ILE 60 HD12 ILE 60 97.313 11.932 7.943 6 HD13 ILE 60 HD13 ILE 60 97.593 13.586 8.430 No H/Q in entry = 6 In of MODEL 2 1 H ASP 61 H ASP 61 96.335 10.661 8.742 2 HA ASP 61 HA ASP 61 95.497 10.544 11.528 3 HB2 ASP 61 HB2 ASP 61 95.312 12.593 10.068 4 HB3 ASP 61 HB3 ASP 61 94.032 11.752 9.188 No H/Q in entry = 4 In of MODEL 2 1 H GLY 62 H GLY 62 95.356 8.400 9.069 2 HA2 GLY 62 HA2 GLY 62 93.005 7.097 10.230 3 HA3 GLY 62 HA3 GLY 62 94.188 6.370 9.172 No H/Q in entry = 3 In of MODEL 2 1 H THR 63 H THR 63 93.276 9.323 7.817 2 HA THR 63 HA THR 63 90.781 8.523 6.647 3 HB THR 63 HB THR 63 92.662 10.530 5.416 4 HG1 THR 63 HG1 THR 63 91.498 12.021 6.792 5 HG21 THR 63 HG21 THR 63 90.494 9.709 4.316 6 HG22 THR 63 HG22 THR 63 89.674 10.573 5.606 7 HG23 THR 63 HG23 THR 63 90.704 11.453 4.485 No H/Q in entry = 7 In of MODEL 2 1 H VAL 64 H VAL 64 90.714 6.696 5.493 2 HA VAL 64 HA VAL 64 92.911 5.858 3.838 3 HB VAL 64 HB VAL 64 90.144 4.711 4.120 No H/Q in entry = 3 In of MODEL 2 1 H PHE 65 H PHE 65 93.359 6.473 1.916 2 HA PHE 65 HA PHE 65 91.194 7.692 0.306 3 HB2 PHE 65 HB2 PHE 65 92.794 9.067 -0.742 4 HB3 PHE 65 HB3 PHE 65 93.041 9.170 0.994 5 HD1 PHE 65 HD1 PHE 65 94.824 7.636 2.024 6 HD2 PHE 65 HD2 PHE 65 94.641 8.595 -2.146 7 HE1 PHE 65 HE1 PHE 65 97.237 7.103 1.798 8 HE2 PHE 65 HE2 PHE 65 97.058 8.064 -2.361 9 HZ PHE 65 HZ PHE 65 98.345 7.344 -0.390 No H/Q in entry = 9 In of MODEL 2 1 H ASP 66 H ASP 66 93.175 4.998 0.509 2 HA ASP 66 HA ASP 66 92.142 4.030 -1.992 3 HB2 ASP 66 HB2 ASP 66 94.372 3.407 -2.931 4 HB3 ASP 66 HB3 ASP 66 94.032 5.122 -2.957 No H/Q in entry = 4 In of MODEL 2 1 H SER 67 H SER 67 92.443 1.803 -2.326 2 HA SER 67 HA SER 67 93.879 0.244 -0.429 3 HB2 SER 67 HB2 SER 67 92.063 -0.903 0.606 4 HB3 SER 67 HB3 SER 67 91.851 0.824 0.858 5 HG SER 67 HG SER 67 90.090 0.744 -0.292 No H/Q in entry = 5 In of MODEL 2 1 H THR 68 H THR 68 94.051 -1.948 -0.936 2 HA THR 68 HA THR 68 92.740 -2.938 -3.355 3 HB THR 68 HB THR 68 95.736 -2.565 -3.208 4 HG1 THR 68 HG1 THR 68 95.310 -1.237 -5.044 5 HG21 THR 68 HG21 THR 68 93.944 -3.988 -5.155 6 HG22 THR 68 HG22 THR 68 95.540 -3.404 -5.611 7 HG23 THR 68 HG23 THR 68 95.375 -4.590 -4.329 No H/Q in entry = 7 In of MODEL 2 1 H GLU 69 H GLU 69 95.214 -3.420 -0.884 2 HA GLU 69 HA GLU 69 95.397 -6.217 -1.126 3 HB2 GLU 69 HB2 GLU 69 96.382 -6.159 1.125 4 HB3 GLU 69 HB3 GLU 69 97.111 -5.048 -0.020 5 HG2 GLU 69 HG2 GLU 69 96.914 -3.646 1.765 6 HG3 GLU 69 HG3 GLU 69 95.405 -3.355 0.939 No H/Q in entry = 6 In of MODEL 2 1 H LYS 70 H LYS 70 93.058 -4.168 0.374 2 HA LYS 70 HA LYS 70 91.939 -5.925 2.206 3 HB2 LYS 70 HB2 LYS 70 90.537 -3.931 0.441 4 HB3 LYS 70 HB3 LYS 70 89.849 -4.665 1.890 5 HG2 LYS 70 HG2 LYS 70 92.405 -3.082 1.853 6 HG3 LYS 70 HG3 LYS 70 90.842 -2.368 2.239 7 HD2 LYS 70 HD2 LYS 70 90.650 -4.109 4.091 8 HD3 LYS 70 HD3 LYS 70 92.332 -4.516 3.779 9 HE2 LYS 70 HE2 LYS 70 93.037 -2.246 4.224 10 HE3 LYS 70 HE3 LYS 70 91.365 -1.741 4.471 11 HZ1 LYS 70 HZ1 LYS 70 91.375 -3.630 6.215 12 HZ2 LYS 70 HZ2 LYS 70 93.063 -3.446 6.165 13 HZ3 LYS 70 HZ3 LYS 70 92.082 -2.135 6.606 No H/Q in entry = 13 In of MODEL 2 1 H THR 71 H THR 71 91.487 -5.545 -1.233 2 HA THR 71 HA THR 71 89.638 -7.759 -1.459 3 HB THR 71 HB THR 71 90.068 -7.367 -3.951 4 HG1 THR 71 HG1 THR 71 91.726 -6.165 -4.308 5 HG21 THR 71 HG21 THR 71 89.047 -5.090 -2.237 6 HG22 THR 71 HG22 THR 71 88.721 -5.284 -3.959 7 HG23 THR 71 HG23 THR 71 88.102 -6.466 -2.805 No H/Q in entry = 7 In of MODEL 2 1 H GLY 72 H GLY 72 93.055 -7.123 -1.765 2 HA2 GLY 72 HA2 GLY 72 93.649 -9.943 -1.743 3 HA3 GLY 72 HA3 GLY 72 94.813 -8.629 -1.646 No H/Q in entry = 3 In of MODEL 2 1 H LYS 73 H LYS 73 93.305 -7.496 -4.119 2 HA LYS 73 HA LYS 73 94.322 -9.362 -6.145 3 HB2 LYS 73 HB2 LYS 73 92.321 -7.152 -6.139 4 HB3 LYS 73 HB3 LYS 73 93.152 -7.474 -7.657 5 HG2 LYS 73 HG2 LYS 73 91.318 -8.864 -7.870 6 HG3 LYS 73 HG3 LYS 73 92.474 -9.986 -7.171 7 HD2 LYS 73 HD2 LYS 73 91.471 -9.108 -4.874 8 HD3 LYS 73 HD3 LYS 73 90.108 -8.646 -5.887 9 HE2 LYS 73 HE2 LYS 73 89.797 -10.882 -4.939 10 HE3 LYS 73 HE3 LYS 73 89.925 -10.966 -6.695 11 HZ1 LYS 73 HZ1 LYS 73 92.356 -11.229 -5.071 12 HZ2 LYS 73 HZ2 LYS 73 91.305 -12.559 -5.188 13 HZ3 LYS 73 HZ3 LYS 73 91.998 -11.896 -6.590 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 74 HA PRO 74 98.017 -6.845 -6.216 2 HB2 PRO 74 HB2 PRO 74 98.670 -8.455 -8.638 3 HB3 PRO 74 HB3 PRO 74 99.611 -8.173 -7.162 4 HG2 PRO 74 HG2 PRO 74 98.425 -10.500 -7.592 5 HG3 PRO 74 HG3 PRO 74 98.477 -9.780 -5.982 6 HD2 PRO 74 HD2 PRO 74 96.223 -9.837 -7.941 7 HD3 PRO 74 HD3 PRO 74 96.244 -10.118 -6.191 No H/Q in entry = 7 In of MODEL 2 1 H ALA 75 H ALA 75 99.025 -5.315 -7.471 2 HA ALA 75 HA ALA 75 97.632 -4.383 -9.916 3 HB1 ALA 75 HB1 ALA 75 97.303 -2.988 -7.735 4 HB2 ALA 75 HB2 ALA 75 97.771 -2.148 -9.211 5 HB3 ALA 75 HB3 ALA 75 98.983 -2.514 -7.984 No H/Q in entry = 5 In of MODEL 2 1 H THR 76 H THR 76 99.078 -3.632 -11.563 2 HA THR 76 HA THR 76 101.895 -4.346 -11.064 3 HB THR 76 HB THR 76 101.081 -5.597 -12.859 4 HG1 THR 76 HG1 THR 76 102.705 -5.076 -14.057 5 HG21 THR 76 HG21 THR 76 99.858 -2.996 -13.793 6 HG22 THR 76 HG22 THR 76 100.010 -4.403 -14.847 7 HG23 THR 76 HG23 THR 76 99.025 -4.497 -13.387 No H/Q in entry = 7 In of MODEL 2 1 H PHE 77 H PHE 77 103.501 -2.986 -11.169 2 HA PHE 77 HA PHE 77 103.127 -0.341 -12.374 3 HB2 PHE 77 HB2 PHE 77 104.282 -0.742 -9.633 4 HB3 PHE 77 HB3 PHE 77 104.039 0.769 -10.465 5 HD1 PHE 77 HD1 PHE 77 102.867 -0.901 -7.844 6 HD2 PHE 77 HD2 PHE 77 101.325 0.697 -11.519 7 HE1 PHE 77 HE1 PHE 77 100.564 -0.786 -6.860 8 HE2 PHE 77 HE2 PHE 77 99.066 0.811 -10.548 9 HZ PHE 77 HZ PHE 77 98.677 0.046 -8.227 No H/Q in entry = 9 In of MODEL 2 1 H GLN 78 H GLN 78 105.005 0.671 -12.892 2 HA GLN 78 HA GLN 78 107.354 -1.066 -13.069 3 HB2 GLN 78 HB2 GLN 78 106.676 1.516 -14.451 4 HB3 GLN 78 HB3 GLN 78 108.248 0.750 -14.555 5 HG2 GLN 78 HG2 GLN 78 107.123 -1.315 -15.373 6 HG3 GLN 78 HG3 GLN 78 105.619 -0.417 -15.425 7 HE21 GLN 78 HE21 GLN 78 108.083 1.705 -16.064 8 HE22 GLN 78 HE22 GLN 78 108.060 1.679 -17.759 No H/Q in entry = 8 In of MODEL 2 1 H VAL 79 H VAL 79 108.934 -0.809 -11.665 2 HA VAL 79 HA VAL 79 108.708 0.812 -9.459 3 HB VAL 79 HB VAL 79 111.332 -0.091 -10.659 No H/Q in entry = 3 In of MODEL 2 1 H SER 80 H SER 80 110.061 1.588 -12.643 2 HA SER 80 HA SER 80 111.406 3.947 -11.780 3 HB2 SER 80 HB2 SER 80 112.242 3.107 -13.788 4 HB3 SER 80 HB3 SER 80 110.631 2.850 -14.451 5 HG SER 80 HG SER 80 111.779 5.376 -13.849 No H/Q in entry = 5 In of MODEL 2 1 H GLN 81 H GLN 81 108.153 3.247 -12.675 2 HA GLN 81 HA GLN 81 107.499 6.096 -13.053 3 HB2 GLN 81 HB2 GLN 81 105.703 3.708 -13.331 4 HB3 GLN 81 HB3 GLN 81 105.429 5.349 -13.920 5 HG2 GLN 81 HG2 GLN 81 107.673 3.536 -14.818 6 HG3 GLN 81 HG3 GLN 81 106.178 3.879 -15.691 7 HE21 GLN 81 HE21 GLN 81 109.265 4.652 -15.984 8 HE22 GLN 81 HE22 GLN 81 109.168 6.291 -16.410 No H/Q in entry = 8 In of MODEL 2 1 H VAL 82 H VAL 82 107.349 3.695 -10.622 2 HA VAL 82 HA VAL 82 104.935 4.554 -9.355 3 HB VAL 82 HB VAL 82 106.294 2.324 -9.308 No H/Q in entry = 3 In of MODEL 2 1 H ILE 83 H ILE 83 104.928 5.232 -6.998 2 HA ILE 83 HA ILE 83 105.959 7.806 -6.788 3 HB ILE 83 HB ILE 83 105.506 6.586 -4.144 4 HD11 ILE 83 HD11 ILE 83 103.186 6.309 -3.334 5 HD12 ILE 83 HD12 ILE 83 102.130 6.996 -4.568 6 HD13 ILE 83 HD13 ILE 83 102.136 5.260 -4.273 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 84 HA PRO 84 110.276 7.371 -5.853 2 HB2 PRO 84 HB2 PRO 84 109.846 9.112 -3.456 3 HB3 PRO 84 HB3 PRO 84 111.060 9.260 -4.740 4 HG2 PRO 84 HG2 PRO 84 108.965 10.865 -4.687 5 HG3 PRO 84 HG3 PRO 84 109.547 10.202 -6.212 6 HD2 PRO 84 HD2 PRO 84 107.178 9.410 -4.628 7 HD3 PRO 84 HD3 PRO 84 107.355 9.465 -6.381 No H/Q in entry = 7 In of MODEL 2 1 H GLY 85 H GLY 85 108.259 7.395 -2.919 2 HA2 GLY 85 HA2 GLY 85 108.277 6.001 -1.092 3 HA3 GLY 85 HA3 GLY 85 110.021 5.976 -1.265 No H/Q in entry = 3 In of MODEL 2 1 H TRP 86 H TRP 86 107.408 4.881 -3.335 2 HA TRP 86 HA TRP 86 107.656 2.092 -2.829 3 HB2 TRP 86 HB2 TRP 86 106.296 3.837 -4.851 4 HB3 TRP 86 HB3 TRP 86 106.474 2.133 -5.247 5 HD1 TRP 86 HD1 TRP 86 105.332 4.088 -2.092 6 HE1 TRP 86 HE1 TRP 86 103.208 2.994 -1.200 7 HE3 TRP 86 HE3 TRP 86 104.807 0.353 -5.489 8 HZ2 TRP 86 HZ2 TRP 86 101.516 0.786 -1.849 9 HZ3 TRP 86 HZ3 TRP 86 102.916 -1.196 -5.347 10 HH2 TRP 86 HH2 TRP 86 101.256 -1.007 -3.523 No H/Q in entry = 10 In of MODEL 2 1 H THR 87 H THR 87 109.208 4.265 -5.135 2 HA THR 87 HA THR 87 110.201 2.451 -6.962 3 HB THR 87 HB THR 87 111.641 4.881 -5.893 4 HG1 THR 87 HG1 THR 87 109.732 5.640 -6.512 5 HG21 THR 87 HG21 THR 87 112.872 3.279 -7.470 6 HG22 THR 87 HG22 THR 87 111.700 3.761 -8.679 7 HG23 THR 87 HG23 THR 87 112.754 4.951 -7.987 No H/Q in entry = 7 In of MODEL 2 1 H GLU 88 H GLU 88 111.855 3.644 -4.041 2 HA GLU 88 HA GLU 88 114.026 1.818 -4.322 3 HB2 GLU 88 HB2 GLU 88 114.160 4.037 -3.180 4 HB3 GLU 88 HB3 GLU 88 113.232 3.348 -1.846 5 HG2 GLU 88 HG2 GLU 88 114.946 1.632 -1.506 6 HG3 GLU 88 HG3 GLU 88 115.861 2.251 -2.877 No H/Q in entry = 6 In of MODEL 2 1 H ALA 89 H ALA 89 111.143 1.840 -2.243 2 HA ALA 89 HA ALA 89 111.813 -0.290 -0.585 3 HB1 ALA 89 HB1 ALA 89 109.142 0.682 -1.564 4 HB2 ALA 89 HB2 ALA 89 109.939 1.033 -0.031 5 HB3 ALA 89 HB3 ALA 89 109.326 -0.583 -0.356 No H/Q in entry = 5 In of MODEL 2 1 H LEU 90 H LEU 90 110.027 -0.493 -3.708 2 HA LEU 90 HA LEU 90 109.440 -3.239 -3.586 3 HB2 LEU 90 HB2 LEU 90 110.100 -1.566 -6.026 4 HB3 LEU 90 HB3 LEU 90 109.299 -3.123 -6.046 5 HG LEU 90 HG LEU 90 108.190 -0.828 -4.435 6 HD11 LEU 90 HD11 LEU 90 107.808 -1.443 -7.354 7 HD12 LEU 90 HD12 LEU 90 106.704 -0.435 -6.449 8 HD13 LEU 90 HD13 LEU 90 108.384 0.050 -6.650 9 HD21 LEU 90 HD21 LEU 90 107.080 -3.361 -5.604 10 HD22 LEU 90 HD22 LEU 90 107.167 -2.919 -3.917 11 HD23 LEU 90 HD23 LEU 90 106.058 -2.091 -5.003 No H/Q in entry = 11 In of MODEL 2 1 H GLN 91 H GLN 91 112.260 -1.520 -4.795 2 HA GLN 91 HA GLN 91 113.637 -3.709 -5.858 3 HB2 GLN 91 HB2 GLN 91 114.692 -1.123 -4.716 4 HB3 GLN 91 HB3 GLN 91 115.603 -2.229 -5.741 5 HG2 GLN 91 HG2 GLN 91 113.999 -1.931 -7.552 6 HG3 GLN 91 HG3 GLN 91 112.999 -0.910 -6.522 7 HE21 GLN 91 HE21 GLN 91 113.224 1.148 -7.456 8 HE22 GLN 91 HE22 GLN 91 114.715 1.897 -7.775 No H/Q in entry = 8 In of MODEL 2 1 H LEU 92 H LEU 92 113.158 -2.598 -2.623 2 HA LEU 92 HA LEU 92 115.309 -4.340 -1.581 3 HB2 LEU 92 HB2 LEU 92 113.626 -2.255 -0.180 4 HB3 LEU 92 HB3 LEU 92 114.954 -3.164 0.541 5 HG LEU 92 HG LEU 92 115.240 -1.334 -1.848 6 HD11 LEU 92 HD11 LEU 92 115.844 -0.898 1.060 7 HD12 LEU 92 HD12 LEU 92 116.369 0.159 -0.252 8 HD13 LEU 92 HD13 LEU 92 114.653 -0.048 0.079 9 HD21 LEU 92 HD21 LEU 92 117.152 -2.980 -0.228 10 HD22 LEU 92 HD22 LEU 92 117.019 -2.853 -1.981 11 HD23 LEU 92 HD23 LEU 92 117.693 -1.523 -1.053 No H/Q in entry = 11 In of MODEL 2 1 H MET 93 H MET 93 111.981 -4.361 -2.136 2 HA MET 93 HA MET 93 111.359 -6.047 0.166 3 HB2 MET 93 HB2 MET 93 109.728 -4.391 -0.510 4 HB3 MET 93 HB3 MET 93 109.646 -5.100 -2.122 5 HG2 MET 93 HG2 MET 93 108.611 -7.065 -1.336 6 HG3 MET 93 HG3 MET 93 109.108 -6.776 0.330 7 HE1 MET 93 HE1 MET 93 107.426 -5.547 -2.654 8 HE2 MET 93 HE2 MET 93 105.763 -5.821 -2.148 9 HE3 MET 93 HE3 MET 93 106.438 -4.190 -2.139 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 94 HA PRO 94 112.375 -9.618 -2.579 2 HB2 PRO 94 HB2 PRO 94 111.918 -11.196 -0.137 3 HB3 PRO 94 HB3 PRO 94 113.350 -11.133 -1.171 4 HG2 PRO 94 HG2 PRO 94 113.339 -10.049 1.268 5 HG3 PRO 94 HG3 PRO 94 114.198 -9.284 -0.083 6 HD2 PRO 94 HD2 PRO 94 111.519 -8.598 1.062 7 HD3 PRO 94 HD3 PRO 94 112.847 -7.544 0.599 No H/Q in entry = 7 In of MODEL 2 1 H ALA 95 H ALA 95 111.142 -11.159 -3.587 2 HA ALA 95 HA ALA 95 108.360 -10.826 -3.489 3 HB1 ALA 95 HB1 ALA 95 110.012 -12.949 -4.796 4 HB2 ALA 95 HB2 ALA 95 108.258 -12.817 -4.974 5 HB3 ALA 95 HB3 ALA 95 109.301 -11.515 -5.542 No H/Q in entry = 5 In of MODEL 2 1 H GLY 96 H GLY 96 106.744 -11.824 -2.593 2 HA2 GLY 96 HA2 GLY 96 107.198 -14.265 -1.038 3 HA3 GLY 96 HA3 GLY 96 105.646 -13.527 -1.439 No H/Q in entry = 3 In of MODEL 2 1 H SER 97 H SER 97 108.133 -11.378 -0.467 2 HA SER 97 HA SER 97 107.400 -11.436 2.345 3 HB2 SER 97 HB2 SER 97 109.271 -10.101 2.708 4 HB3 SER 97 HB3 SER 97 109.763 -10.992 1.269 5 HG SER 97 HG SER 97 108.311 -8.675 0.830 No H/Q in entry = 5 In of MODEL 2 1 H THR 98 H THR 98 106.085 -10.056 3.337 2 HA THR 98 HA THR 98 104.766 -7.985 1.705 3 HB THR 98 HB THR 98 103.789 -9.305 4.240 4 HG1 THR 98 HG1 THR 98 103.778 -10.729 2.484 5 HG21 THR 98 HG21 THR 98 102.582 -7.325 2.296 6 HG22 THR 98 HG22 THR 98 101.656 -8.224 3.500 7 HG23 THR 98 HG23 THR 98 102.906 -7.094 4.008 No H/Q in entry = 7 In of MODEL 2 1 H TRP 99 H TRP 99 105.523 -6.010 2.043 2 HA TRP 99 HA TRP 99 106.455 -5.312 4.767 3 HB2 TRP 99 HB2 TRP 99 107.277 -4.204 2.085 4 HB3 TRP 99 HB3 TRP 99 107.741 -3.486 3.611 5 HD1 TRP 99 HD1 TRP 99 107.838 -7.224 3.825 6 HE1 TRP 99 HE1 TRP 99 110.246 -8.045 3.694 7 HE3 TRP 99 HE3 TRP 99 110.081 -2.897 2.333 8 HZ2 TRP 99 HZ2 TRP 99 112.841 -6.980 3.047 9 HZ3 TRP 99 HZ3 TRP 99 112.535 -2.827 1.977 10 HH2 TRP 99 HH2 TRP 99 113.916 -4.858 2.336 No H/Q in entry = 10 In of MODEL 2 1 H GLU 100 H GLU 100 106.268 -3.077 5.319 2 HA GLU 100 HA GLU 100 103.988 -1.642 4.126 3 HB2 GLU 100 HB2 GLU 100 104.622 -2.039 7.051 4 HB3 GLU 100 HB3 GLU 100 103.666 -0.669 6.490 5 HG2 GLU 100 HG2 GLU 100 102.050 -2.145 5.481 6 HG3 GLU 100 HG3 GLU 100 103.001 -3.553 5.896 No H/Q in entry = 6 In of MODEL 2 1 H ILE 101 H ILE 101 104.616 0.345 3.431 2 HA ILE 101 HA ILE 101 107.046 1.446 4.608 3 HB ILE 101 HB ILE 101 107.956 2.045 2.588 4 HD11 ILE 101 HD11 ILE 101 107.977 2.778 0.356 5 HD12 ILE 101 HD12 ILE 101 107.326 1.233 -0.179 6 HD13 ILE 101 HD13 ILE 101 106.538 2.725 -0.646 No H/Q in entry = 6 In of MODEL 2 1 H TYR 102 H TYR 102 107.105 3.445 5.165 2 HA TYR 102 HA TYR 102 104.586 4.982 4.997 3 HB2 TYR 102 HB2 TYR 102 106.892 5.249 6.939 4 HB3 TYR 102 HB3 TYR 102 105.344 6.048 7.053 5 HD1 TYR 102 HD1 TYR 102 106.417 2.445 6.495 6 HD2 TYR 102 HD2 TYR 102 104.041 5.174 8.796 7 HE1 TYR 102 HE1 TYR 102 105.540 0.571 7.760 8 HE2 TYR 102 HE2 TYR 102 103.158 3.267 10.106 9 HH TYR 102 HH TYR 102 104.205 -0.077 9.413 No H/Q in entry = 9 In of MODEL 2 1 H VAL 103 H VAL 103 104.844 6.165 3.214 2 HA VAL 103 HA VAL 103 107.395 7.156 2.436 3 HB VAL 103 HB VAL 103 104.815 7.670 1.057 No H/Q in entry = 3 In of MODEL 2 1 HA PRO 104 HA PRO 104 106.821 11.187 4.407 2 HB2 PRO 104 HB2 PRO 104 109.037 11.815 2.493 3 HB3 PRO 104 HB3 PRO 104 108.933 12.148 4.233 4 HG2 PRO 104 HG2 PRO 104 110.472 10.176 3.224 5 HG3 PRO 104 HG3 PRO 104 109.715 10.060 4.805 6 HD2 PRO 104 HD2 PRO 104 109.045 8.643 2.317 7 HD3 PRO 104 HD3 PRO 104 108.689 8.205 4.005 No H/Q in entry = 7 In of MODEL 2 1 H SER 105 H SER 105 105.698 12.995 3.644 2 HA SER 105 HA SER 105 104.205 12.850 1.351 3 HB2 SER 105 HB2 SER 105 103.774 15.243 1.607 4 HB3 SER 105 HB3 SER 105 103.779 14.454 3.182 5 HG SER 105 HG SER 105 106.121 15.584 2.084 No H/Q in entry = 5 In of MODEL 2 1 H GLY 106 H GLY 106 107.442 14.144 1.755 2 HA2 GLY 106 HA2 GLY 106 109.019 14.860 0.244 3 HA3 GLY 106 HA3 GLY 106 107.691 15.386 -0.782 No H/Q in entry = 3 In of MODEL 2 1 H LEU 107 H LEU 107 108.121 12.086 0.333 2 HA LEU 107 HA LEU 107 109.136 11.262 -2.321 3 HB2 LEU 107 HB2 LEU 107 108.909 9.660 0.245 4 HB3 LEU 107 HB3 LEU 107 109.663 9.119 -1.229 5 HG LEU 107 HG LEU 107 110.587 11.384 0.541 6 HD11 LEU 107 HD11 LEU 107 111.144 9.110 1.304 7 HD12 LEU 107 HD12 LEU 107 111.886 8.780 -0.255 8 HD13 LEU 107 HD13 LEU 107 112.585 9.995 0.811 9 HD21 LEU 107 HD21 LEU 107 111.374 10.605 -2.249 10 HD22 LEU 107 HD22 LEU 107 111.132 12.214 -1.576 11 HD23 LEU 107 HD23 LEU 107 112.580 11.298 -1.168 No H/Q in entry = 11 In of MODEL 2 1 H ALA 108 H ALA 108 106.187 11.720 -0.965 2 HA ALA 108 HA ALA 108 105.026 9.276 -2.116 3 HB1 ALA 108 HB1 ALA 108 103.717 11.248 -0.243 4 HB2 ALA 108 HB2 ALA 108 103.105 9.682 -0.745 5 HB3 ALA 108 HB3 ALA 108 104.516 9.793 0.273 No H/Q in entry = 5 In of MODEL 2 1 H TYR 109 H TYR 109 102.833 11.797 -1.540 2 HA TYR 109 HA TYR 109 102.518 12.188 -4.417 3 HB2 TYR 109 HB2 TYR 109 100.639 12.360 -2.082 4 HB3 TYR 109 HB3 TYR 109 100.224 13.083 -3.640 5 HD1 TYR 109 HD1 TYR 109 100.504 9.998 -1.797 6 HD2 TYR 109 HD2 TYR 109 100.396 11.657 -5.727 7 HE1 TYR 109 HE1 TYR 109 100.091 7.780 -2.718 8 HE2 TYR 109 HE2 TYR 109 100.012 9.418 -6.674 9 HH TYR 109 HH TYR 109 100.340 6.569 -4.732 No H/Q in entry = 9 In of MODEL 2 1 H GLY 110 H GLY 110 104.166 13.699 -2.128 2 HA2 GLY 110 HA2 GLY 110 103.834 16.306 -3.461 3 HA3 GLY 110 HA3 GLY 110 105.263 15.749 -2.617 No H/Q in entry = 3 In of MODEL 2 1 HA PRO 111 HA PRO 111 104.039 17.821 1.061 2 HB2 PRO 111 HB2 PRO 111 105.011 20.322 0.680 3 HB3 PRO 111 HB3 PRO 111 106.055 18.918 0.935 4 HG2 PRO 111 HG2 PRO 111 105.331 20.263 -1.624 5 HG3 PRO 111 HG3 PRO 111 106.905 19.666 -1.076 6 HD2 PRO 111 HD2 PRO 111 105.321 18.267 -2.795 7 HD3 PRO 111 HD3 PRO 111 106.416 17.475 -1.650 No H/Q in entry = 7 In of MODEL 2 1 H ARG 112 H ARG 112 102.791 18.900 -1.959 2 HA ARG 112 HA ARG 112 100.854 20.743 -0.703 3 HB2 ARG 112 HB2 ARG 112 101.794 20.231 -3.512 4 HB3 ARG 112 HB3 ARG 112 100.175 20.886 -3.287 5 HG2 ARG 112 HG2 ARG 112 101.596 22.774 -3.544 6 HG3 ARG 112 HG3 ARG 112 101.269 22.685 -1.816 7 HD2 ARG 112 HD2 ARG 112 103.392 21.494 -1.478 8 HD3 ARG 112 HD3 ARG 112 103.728 21.581 -3.202 9 HE ARG 112 HE ARG 112 103.839 23.799 -1.285 10 HH11 ARG 112 HH11 ARG 112 103.961 22.678 -4.568 11 HH12 ARG 112 HH12 ARG 112 104.695 24.123 -5.173 12 HH21 ARG 112 HH21 ARG 112 104.793 25.695 -2.087 13 HH22 ARG 112 HH22 ARG 112 105.167 25.827 -3.772 No H/Q in entry = 13 In of MODEL 2 1 H SER 113 H SER 113 98.535 20.501 -1.567 2 HA SER 113 HA SER 113 97.679 17.826 -1.015 3 HB2 SER 113 HB2 SER 113 95.920 20.002 -2.111 4 HB3 SER 113 HB3 SER 113 95.501 18.670 -1.041 5 HG SER 113 HG SER 113 97.445 20.517 -0.234 No H/Q in entry = 5 In of MODEL 2 1 H VAL 114 H VAL 114 98.748 16.692 -2.726 2 HA VAL 114 HA VAL 114 97.745 17.175 -5.453 3 HB VAL 114 HB VAL 114 99.801 15.111 -4.682 No H/Q in entry = 3 In of MODEL 2 1 H GLY 115 H GLY 115 95.618 16.307 -4.213 2 HA2 GLY 115 HA2 GLY 115 95.417 13.493 -3.823 3 HA3 GLY 115 HA3 GLY 115 94.886 13.925 -5.443 No H/Q in entry = 3 In of MODEL 2 1 H GLY 116 H GLY 116 93.057 12.765 -3.920 2 HA2 GLY 116 HA2 GLY 116 90.835 13.006 -3.306 3 HA3 GLY 116 HA3 GLY 116 90.973 14.704 -3.708 No H/Q in entry = 3 In of MODEL 2 1 HA PRO 117 HA PRO 117 90.428 14.382 0.922 2 HB2 PRO 117 HB2 PRO 117 91.302 12.150 2.250 3 HB3 PRO 117 HB3 PRO 117 89.690 12.297 1.547 4 HG2 PRO 117 HG2 PRO 117 92.125 11.052 0.373 5 HG3 PRO 117 HG3 PRO 117 90.479 10.417 0.431 6 HD2 PRO 117 HD2 PRO 117 91.402 11.501 -1.792 7 HD3 PRO 117 HD3 PRO 117 89.746 11.868 -1.255 No H/Q in entry = 7 In of MODEL 2 1 H ILE 118 H ILE 118 93.324 13.336 -0.530 2 HA ILE 118 HA ILE 118 95.140 13.822 1.602 3 HB ILE 118 HB ILE 118 95.667 14.062 -1.374 4 HD11 ILE 118 HD11 ILE 118 94.107 12.502 -1.916 5 HD12 ILE 118 HD12 ILE 118 95.254 11.293 -2.473 6 HD13 ILE 118 HD13 ILE 118 94.075 10.883 -1.243 No H/Q in entry = 6 In of MODEL 2 1 H GLY 119 H GLY 119 95.343 15.768 2.517 2 HA2 GLY 119 HA2 GLY 119 94.916 18.060 2.772 3 HA3 GLY 119 HA3 GLY 119 94.687 18.221 1.053 No H/Q in entry = 3 In of MODEL 2 1 HA PRO 120 HA PRO 120 98.796 19.902 1.113 2 HB2 PRO 120 HB2 PRO 120 99.120 21.715 3.140 3 HB3 PRO 120 HB3 PRO 120 98.173 22.051 1.685 4 HG2 PRO 120 HG2 PRO 120 97.225 21.189 4.373 5 HG3 PRO 120 HG3 PRO 120 96.554 22.403 3.293 6 HD2 PRO 120 HD2 PRO 120 95.509 19.924 3.554 7 HD3 PRO 120 HD3 PRO 120 95.454 20.803 2.010 No H/Q in entry = 7 In of MODEL 2 1 H ASN 121 H ASN 121 100.893 19.498 1.789 2 HA ASN 121 HA ASN 121 102.516 18.204 2.796 3 HB2 ASN 121 HB2 ASN 121 102.381 20.442 4.011 4 HB3 ASN 121 HB3 ASN 121 101.549 19.576 5.292 5 HD21 ASN 121 HD21 ASN 121 104.624 20.407 4.140 6 HD22 ASN 121 HD22 ASN 121 105.506 19.327 5.094 No H/Q in entry = 6 In of MODEL 2 1 H GLU 122 H GLU 122 100.809 16.313 2.473 2 HA GLU 122 HA GLU 122 100.327 15.052 5.106 3 HB2 GLU 122 HB2 GLU 122 98.827 13.693 3.094 4 HB3 GLU 122 HB3 GLU 122 98.208 14.660 4.432 5 HG2 GLU 122 HG2 GLU 122 97.409 15.550 2.328 6 HG3 GLU 122 HG3 GLU 122 98.531 16.690 3.068 No H/Q in entry = 6 In of MODEL 2 1 H THR 123 H THR 123 101.128 13.191 5.589 2 HA THR 123 HA THR 123 103.000 11.936 3.700 3 HB THR 123 HB THR 123 102.495 11.453 6.640 4 HG1 THR 123 HG1 THR 123 103.933 12.939 6.946 5 HG21 THR 123 HG21 THR 123 103.358 9.471 5.410 6 HG22 THR 123 HG22 THR 123 104.687 10.448 4.827 7 HG23 THR 123 HG23 THR 123 104.532 10.108 6.549 No H/Q in entry = 7 In of MODEL 2 1 H LEU 124 H LEU 124 102.477 10.120 2.673 2 HA LEU 124 HA LEU 124 99.999 8.697 3.485 3 HB2 LEU 124 HB2 LEU 124 101.415 8.724 0.807 4 HB3 LEU 124 HB3 LEU 124 99.943 7.852 1.177 5 HG LEU 124 HG LEU 124 99.116 9.761 0.111 6 HD11 LEU 124 HD11 LEU 124 98.129 9.522 2.410 7 HD12 LEU 124 HD12 LEU 124 99.229 10.801 2.903 8 HD13 LEU 124 HD13 LEU 124 98.013 11.128 1.692 9 HD21 LEU 124 HD21 LEU 124 101.349 10.878 0.025 10 HD22 LEU 124 HD22 LEU 124 99.990 11.963 0.254 11 HD23 LEU 124 HD23 LEU 124 101.006 11.530 1.612 No H/Q in entry = 11 In of MODEL 2 1 H ILE 125 H ILE 125 100.023 6.561 3.830 2 HA ILE 125 HA ILE 125 102.611 5.124 3.673 3 HB ILE 125 HB ILE 125 102.196 5.315 5.997 4 HD11 ILE 125 HD11 ILE 125 101.948 3.786 7.687 5 HD12 ILE 125 HD12 ILE 125 100.891 2.401 7.480 6 HD13 ILE 125 HD13 ILE 125 102.612 2.249 7.179 No H/Q in entry = 6 In of MODEL 2 1 H PHE 126 H PHE 126 102.544 3.069 2.861 2 HA PHE 126 HA PHE 126 99.905 2.000 2.142 3 HB2 PHE 126 HB2 PHE 126 102.185 1.650 0.231 4 HB3 PHE 126 HB3 PHE 126 100.440 1.579 -0.063 5 HD1 PHE 126 HD1 PHE 126 99.366 3.443 -0.988 6 HD2 PHE 126 HD2 PHE 126 103.112 3.929 1.041 7 HE1 PHE 126 HE1 PHE 126 99.424 5.833 -1.656 8 HE2 PHE 126 HE2 PHE 126 103.157 6.306 0.379 9 HZ PHE 126 HZ PHE 126 101.334 7.260 -0.957 No H/Q in entry = 9 In of MODEL 2 1 H LYS 127 H LYS 127 99.774 -0.239 1.991 2 HA LYS 127 HA LYS 127 101.952 -1.678 3.305 3 HB2 LYS 127 HB2 LYS 127 99.459 -3.162 2.744 4 HB3 LYS 127 HB3 LYS 127 100.353 -3.032 4.237 5 HG2 LYS 127 HG2 LYS 127 98.470 -0.948 3.162 6 HG3 LYS 127 HG3 LYS 127 98.091 -2.102 4.429 7 HD2 LYS 127 HD2 LYS 127 99.890 -1.148 5.844 8 HD3 LYS 127 HD3 LYS 127 100.232 0.042 4.605 9 HE2 LYS 127 HE2 LYS 127 97.957 0.931 4.787 10 HE3 LYS 127 HE3 LYS 127 97.566 -0.294 5.993 11 HZ1 LYS 127 HZ1 LYS 127 99.814 0.827 6.981 12 HZ2 LYS 127 HZ2 LYS 127 99.036 2.164 6.279 13 HZ3 LYS 127 HZ3 LYS 127 98.237 1.233 7.454 No H/Q in entry = 13 In of MODEL 2 1 H ILE 128 H ILE 128 103.238 -2.913 1.994 2 HA ILE 128 HA ILE 128 102.094 -3.459 -0.707 3 HB ILE 128 HB ILE 128 105.056 -3.163 -0.273 4 HD11 ILE 128 HD11 ILE 128 105.258 -0.710 -1.994 5 HD12 ILE 128 HD12 ILE 128 104.916 0.577 -0.848 6 HD13 ILE 128 HD13 ILE 128 106.032 -0.710 -0.410 No H/Q in entry = 6 In of MODEL 2 1 H HIS 129 H HIS 129 101.737 -5.387 -1.163 2 HA HIS 129 HA HIS 129 103.288 -7.584 0.094 3 HB2 HIS 129 HB2 HIS 129 100.946 -7.722 0.701 4 HB3 HIS 129 HB3 HIS 129 100.463 -7.506 -0.978 5 HD2 HIS 129 HD2 HIS 129 103.311 -10.090 0.051 6 HE1 HIS 129 HE1 HIS 129 100.026 -12.181 -1.607 7 HE2 HIS 129 HE2 HIS 129 102.428 -12.398 -0.842 No H/Q in entry = 7 In of MODEL 2 1 H LEU 130 H LEU 130 104.689 -8.573 -1.270 2 HA LEU 130 HA LEU 130 104.339 -8.101 -4.128 3 HB2 LEU 130 HB2 LEU 130 106.569 -8.185 -2.473 4 HB3 LEU 130 HB3 LEU 130 106.644 -9.688 -3.343 5 HG LEU 130 HG LEU 130 106.342 -7.001 -4.638 6 HD11 LEU 130 HD11 LEU 130 108.578 -7.311 -3.650 7 HD12 LEU 130 HD12 LEU 130 108.733 -8.832 -4.511 8 HD13 LEU 130 HD13 LEU 130 108.662 -7.327 -5.410 9 HD21 LEU 130 HD21 LEU 130 105.319 -8.862 -5.943 10 HD22 LEU 130 HD22 LEU 130 106.733 -8.219 -6.724 11 HD23 LEU 130 HD23 LEU 130 106.855 -9.723 -5.845 No H/Q in entry = 11 In of MODEL 2 1 H ILE 131 H ILE 131 103.132 -9.458 -5.270 2 HA ILE 131 HA ILE 131 102.963 -12.283 -4.519 3 HB ILE 131 HB ILE 131 101.399 -10.568 -6.467 4 HD11 ILE 131 HD11 ILE 131 100.394 -9.042 -5.006 5 HD12 ILE 131 HD12 ILE 131 99.839 -9.501 -3.400 6 HD13 ILE 131 HD13 ILE 131 101.553 -9.415 -3.734 No H/Q in entry = 6 In of MODEL 2 1 H SER 132 H SER 132 103.744 -10.269 -7.386 2 HA SER 132 HA SER 132 105.570 -12.371 -8.302 3 HB2 SER 132 HB2 SER 132 104.551 -12.782 -10.354 4 HB3 SER 132 HB3 SER 132 103.163 -12.655 -9.274 5 HG SER 132 HG SER 132 104.222 -10.711 -11.042 No H/Q in entry = 5 In of MODEL 2 1 H VAL 133 H VAL 133 107.029 -11.676 -9.979 2 HA VAL 133 HA VAL 133 107.312 -8.728 -10.213 3 HB VAL 133 HB VAL 133 109.528 -10.749 -9.697 No H/Q in entry = 3 In of MODEL 2 1 H LYS 134 H LYS 134 107.915 -7.970 -12.148 2 HA LYS 134 HA LYS 134 108.050 -9.804 -14.416 3 HB2 LYS 134 HB2 LYS 134 106.612 -7.615 -14.166 4 HB3 LYS 134 HB3 LYS 134 108.135 -6.850 -14.586 5 HG2 LYS 134 HG2 LYS 134 107.224 -7.137 -16.708 6 HG3 LYS 134 HG3 LYS 134 108.157 -8.625 -16.559 7 HD2 LYS 134 HD2 LYS 134 106.039 -9.672 -15.581 8 HD3 LYS 134 HD3 LYS 134 105.187 -8.245 -16.166 9 HE2 LYS 134 HE2 LYS 134 106.460 -8.828 -18.438 10 HE3 LYS 134 HE3 LYS 134 106.483 -10.446 -17.736 11 HZ1 LYS 134 HZ1 LYS 134 104.058 -8.766 -18.074 12 HZ2 LYS 134 HZ2 LYS 134 104.511 -10.043 -19.098 13 HZ3 LYS 134 HZ3 LYS 134 104.101 -10.358 -17.483 No H/Q in entry = 13 In of MODEL 2 1 H LYS 135 H LYS 135 109.368 -7.585 -15.882 2 HA LYS 135 HA LYS 135 111.919 -7.026 -14.890 3 HB2 LYS 135 HB2 LYS 135 111.684 -9.658 -15.852 4 HB3 LYS 135 HB3 LYS 135 112.542 -8.796 -17.115 5 HG2 LYS 135 HG2 LYS 135 113.361 -8.535 -14.225 6 HG3 LYS 135 HG3 LYS 135 113.905 -9.881 -15.221 7 HD2 LYS 135 HD2 LYS 135 114.197 -7.119 -16.336 8 HD3 LYS 135 HD3 LYS 135 115.311 -7.600 -15.064 9 HE2 LYS 135 HE2 LYS 135 114.810 -9.261 -17.533 10 HE3 LYS 135 HE3 LYS 135 116.102 -8.067 -17.429 11 HZ1 LYS 135 HZ1 LYS 135 116.545 -9.385 -15.195 12 HZ2 LYS 135 HZ2 LYS 135 115.835 -10.642 -16.083 13 HZ3 LYS 135 HZ3 LYS 135 117.225 -9.865 -16.676 No H/Q in entry = 13 In of MODEL 2 1 H SER 136 H SER 136 113.120 -5.723 -16.229 2 HA SER 136 HA SER 136 111.851 -3.834 -17.686 3 HB2 SER 136 HB2 SER 136 113.977 -3.290 -18.734 4 HB3 SER 136 HB3 SER 136 114.249 -3.764 -17.058 5 HG SER 136 HG SER 136 115.700 -4.916 -18.226 No H/Q in entry = 5 In of MODEL 2 1 H SER 137 H SER 137 112.607 -7.054 -18.786 2 HA SER 137 HA SER 137 112.310 -8.105 -20.828 3 HB2 SER 137 HB2 SER 137 110.073 -7.819 -21.727 4 HB3 SER 137 HB3 SER 137 109.992 -7.788 -19.968 5 HG SER 137 HG SER 137 109.332 -5.878 -21.762 No H/Q in entry = 5 In of MODEL 3 1 H1 PHE 1 H1 PHE 1 94.363 26.934 3.820 2 H2 PHE 1 H2 PHE 1 94.496 28.623 3.768 3 H3 PHE 1 H3 PHE 1 93.551 27.812 2.613 4 HA PHE 1 HA PHE 1 95.297 27.212 1.359 5 HB2 PHE 1 HB2 PHE 1 95.427 29.682 1.664 6 HB3 PHE 1 HB3 PHE 1 96.542 29.440 3.006 7 HD1 PHE 1 HD1 PHE 1 98.805 29.717 2.493 8 HD2 PHE 1 HD2 PHE 1 96.155 28.211 -0.542 9 HE1 PHE 1 HE1 PHE 1 100.690 29.620 0.887 10 HE2 PHE 1 HE2 PHE 1 98.047 28.108 -2.137 11 HZ PHE 1 HZ PHE 1 100.312 28.811 -1.424 No H/Q in entry = 11 In of MODEL 3 1 H ASN 2 H ASN 2 97.991 28.177 2.997 2 HA ASN 2 HA ASN 2 98.947 25.512 3.335 3 HB2 ASN 2 HB2 ASN 2 100.076 28.220 4.000 4 HB3 ASN 2 HB3 ASN 2 100.917 26.738 4.449 5 HD21 ASN 2 HD21 ASN 2 102.197 28.412 2.624 6 HD22 ASN 2 HD22 ASN 2 102.157 27.717 1.075 No H/Q in entry = 6 In of MODEL 3 1 H LYS 3 H LYS 3 97.240 27.680 5.393 2 HA LYS 3 HA LYS 3 98.135 27.125 7.924 3 HB2 LYS 3 HB2 LYS 3 95.893 27.565 8.729 4 HB3 LYS 3 HB3 LYS 3 96.190 28.619 7.346 5 HG2 LYS 3 HG2 LYS 3 95.016 26.977 5.880 6 HG3 LYS 3 HG3 LYS 3 94.675 25.991 7.293 7 HD2 LYS 3 HD2 LYS 3 93.408 27.847 8.287 8 HD3 LYS 3 HD3 LYS 3 93.668 28.793 6.815 9 HE2 LYS 3 HE2 LYS 3 92.542 27.104 5.490 10 HE3 LYS 3 HE3 LYS 3 92.420 26.044 6.897 11 HZ1 LYS 3 HZ1 LYS 3 91.136 28.715 6.639 12 HZ2 LYS 3 HZ2 LYS 3 90.347 27.225 6.460 13 HZ3 LYS 3 HZ3 LYS 3 90.997 27.662 7.966 No H/Q in entry = 13 In of MODEL 3 1 H LYS 4 H LYS 4 96.054 25.114 5.896 2 HA LYS 4 HA LYS 4 95.579 23.120 7.846 3 HB2 LYS 4 HB2 LYS 4 94.439 23.688 5.513 4 HB3 LYS 4 HB3 LYS 4 95.524 22.431 4.936 5 HG2 LYS 4 HG2 LYS 4 93.527 22.158 7.194 6 HG3 LYS 4 HG3 LYS 4 93.341 21.496 5.573 7 HD2 LYS 4 HD2 LYS 4 95.539 20.227 6.024 8 HD3 LYS 4 HD3 LYS 4 95.301 20.694 7.712 9 HE2 LYS 4 HE2 LYS 4 92.963 19.725 7.562 10 HE3 LYS 4 HE3 LYS 4 93.432 19.034 6.010 11 HZ1 LYS 4 HZ1 LYS 4 95.396 18.079 7.302 12 HZ2 LYS 4 HZ2 LYS 4 94.495 18.436 8.697 13 HZ3 LYS 4 HZ3 LYS 4 93.876 17.363 7.533 No H/Q in entry = 13 In of MODEL 3 1 H ALA 5 H ALA 5 97.985 23.596 5.370 2 HA ALA 5 HA ALA 5 99.231 21.145 5.175 3 HB1 ALA 5 HB1 ALA 5 101.047 22.308 4.249 4 HB2 ALA 5 HB2 ALA 5 100.803 23.703 5.287 5 HB3 ALA 5 HB3 ALA 5 99.694 23.402 3.961 No H/Q in entry = 5 In of MODEL 3 1 H ASP 6 H ASP 6 99.463 23.562 7.642 2 HA ASP 6 HA ASP 6 101.721 22.571 8.991 3 HB2 ASP 6 HB2 ASP 6 99.393 24.236 9.850 4 HB3 ASP 6 HB3 ASP 6 100.709 23.822 10.937 No H/Q in entry = 4 In of MODEL 3 1 H GLU 7 H GLU 7 98.257 21.778 9.229 2 HA GLU 7 HA GLU 7 98.495 20.201 11.576 3 HB2 GLU 7 HB2 GLU 7 96.479 19.688 9.448 4 HB3 GLU 7 HB3 GLU 7 96.306 19.487 11.186 5 HG2 GLU 7 HG2 GLU 7 96.562 21.963 11.418 6 HG3 GLU 7 HG3 GLU 7 96.507 22.082 9.663 No H/Q in entry = 6 In of MODEL 3 1 H ASN 8 H ASN 8 98.303 19.302 8.185 2 HA ASN 8 HA ASN 8 98.707 16.518 8.538 3 HB2 ASN 8 HB2 ASN 8 99.562 18.240 6.208 4 HB3 ASN 8 HB3 ASN 8 99.310 16.513 6.198 5 HD21 ASN 8 HD21 ASN 8 97.862 17.841 4.366 6 HD22 ASN 8 HD22 ASN 8 96.238 17.983 4.829 No H/Q in entry = 6 In of MODEL 3 1 H LYS 9 H LYS 9 100.792 19.247 8.323 2 HA LYS 9 HA LYS 9 103.274 17.928 8.023 3 HB2 LYS 9 HB2 LYS 9 103.347 20.186 7.517 4 HB3 LYS 9 HB3 LYS 9 102.294 20.589 8.839 5 HG2 LYS 9 HG2 LYS 9 104.052 20.418 10.433 6 HG3 LYS 9 HG3 LYS 9 105.133 19.728 9.225 7 HD2 LYS 9 HD2 LYS 9 104.940 21.860 7.923 8 HD3 LYS 9 HD3 LYS 9 103.995 22.530 9.244 9 HE2 LYS 9 HE2 LYS 9 105.850 22.259 10.790 10 HE3 LYS 9 HE3 LYS 9 106.807 21.460 9.545 11 HZ1 LYS 9 HZ1 LYS 9 105.935 23.854 8.462 12 HZ2 LYS 9 HZ2 LYS 9 106.493 24.219 10.026 13 HZ3 LYS 9 HZ3 LYS 9 107.517 23.440 8.922 No H/Q in entry = 13 In of MODEL 3 1 H VAL 10 H VAL 10 101.636 19.154 10.982 2 HA VAL 10 HA VAL 10 103.705 18.218 12.703 3 HB VAL 10 HB VAL 10 100.872 19.048 13.275 No H/Q in entry = 3 In of MODEL 3 1 H LYS 11 H LYS 11 100.505 16.879 11.916 2 HA LYS 11 HA LYS 11 100.740 14.642 13.606 3 HB2 LYS 11 HB2 LYS 11 99.136 15.135 11.128 4 HB3 LYS 11 HB3 LYS 11 99.086 13.605 11.972 5 HG2 LYS 11 HG2 LYS 11 97.281 14.750 12.937 6 HG3 LYS 11 HG3 LYS 11 98.567 15.046 14.097 7 HD2 LYS 11 HD2 LYS 11 99.041 17.201 12.879 8 HD3 LYS 11 HD3 LYS 11 97.578 16.919 11.938 9 HE2 LYS 11 HE2 LYS 11 97.875 17.509 14.866 10 HE3 LYS 11 HE3 LYS 11 96.799 18.260 13.691 11 HZ1 LYS 11 HZ1 LYS 11 96.566 15.436 14.571 12 HZ2 LYS 11 HZ2 LYS 11 95.686 16.713 15.258 13 HZ3 LYS 11 HZ3 LYS 11 95.462 16.312 13.623 No H/Q in entry = 13 In of MODEL 3 1 H GLY 12 H GLY 12 101.746 15.358 10.363 2 HA2 GLY 12 HA2 GLY 12 103.008 14.171 8.821 3 HA3 GLY 12 HA3 GLY 12 102.651 12.718 9.727 No H/Q in entry = 3 In of MODEL 3 1 H GLU 13 H GLU 13 104.333 15.676 10.817 2 HA GLU 13 HA GLU 13 106.942 14.581 10.661 3 HB2 GLU 13 HB2 GLU 13 105.752 16.796 12.331 4 HB3 GLU 13 HB3 GLU 13 107.432 16.303 12.542 5 HG2 GLU 13 HG2 GLU 13 107.892 16.738 10.193 6 HG3 GLU 13 HG3 GLU 13 106.210 17.161 9.917 No H/Q in entry = 6 In of MODEL 3 1 H ALA 14 H ALA 14 104.375 14.317 12.959 2 HA ALA 14 HA ALA 14 105.932 13.095 15.010 3 HB1 ALA 14 HB1 ALA 14 103.779 14.416 15.334 4 HB2 ALA 14 HB2 ALA 14 102.937 12.994 14.719 5 HB3 ALA 14 HB3 ALA 14 103.889 12.885 16.197 No H/Q in entry = 5 In of MODEL 3 1 H PHE 15 H PHE 15 103.886 12.124 12.370 2 HA PHE 15 HA PHE 15 103.544 9.392 12.953 3 HB2 PHE 15 HB2 PHE 15 102.327 10.830 11.286 4 HB3 PHE 15 HB3 PHE 15 103.759 10.768 10.276 5 HD1 PHE 15 HD1 PHE 15 104.211 8.923 8.903 6 HD2 PHE 15 HD2 PHE 15 101.111 8.701 11.859 7 HE1 PHE 15 HE1 PHE 15 103.338 6.864 7.841 8 HE2 PHE 15 HE2 PHE 15 100.269 6.611 10.824 9 HZ PHE 15 HZ PHE 15 101.382 5.711 8.808 No H/Q in entry = 9 In of MODEL 3 1 H LEU 16 H LEU 16 105.931 11.028 10.865 2 HA LEU 16 HA LEU 16 107.352 8.615 10.293 3 HB2 LEU 16 HB2 LEU 16 108.137 11.531 10.079 4 HB3 LEU 16 HB3 LEU 16 109.246 10.234 9.685 5 HG LEU 16 HG LEU 16 107.250 9.382 8.156 6 HD11 LEU 16 HD11 LEU 16 106.609 12.300 8.624 7 HD12 LEU 16 HD12 LEU 16 106.172 11.495 7.122 8 HD13 LEU 16 HD13 LEU 16 105.518 10.915 8.656 9 HD21 LEU 16 HD21 LEU 16 109.221 11.590 7.607 10 HD22 LEU 16 HD22 LEU 16 109.292 9.890 7.162 11 HD23 LEU 16 HD23 LEU 16 108.168 10.962 6.338 No H/Q in entry = 11 In of MODEL 3 1 H THR 17 H THR 17 107.626 11.124 12.708 2 HA THR 17 HA THR 17 110.074 10.314 13.831 3 HB THR 17 HB THR 17 107.727 11.635 15.193 4 HG1 THR 17 HG1 THR 17 108.389 13.041 13.712 5 HG21 THR 17 HG21 THR 17 110.608 11.250 15.972 6 HG22 THR 17 HG22 THR 17 109.546 12.445 16.720 7 HG23 THR 17 HG23 THR 17 109.170 10.730 16.854 No H/Q in entry = 7 In of MODEL 3 1 H GLU 18 H GLU 18 106.744 9.387 14.502 2 HA GLU 18 HA GLU 18 107.426 7.626 16.605 3 HB2 GLU 18 HB2 GLU 18 105.249 8.749 16.498 4 HB3 GLU 18 HB3 GLU 18 104.878 7.846 15.035 5 HG2 GLU 18 HG2 GLU 18 105.023 5.733 16.262 6 HG3 GLU 18 HG3 GLU 18 105.475 6.599 17.729 No H/Q in entry = 6 In of MODEL 3 1 H ASN 19 H ASN 19 106.460 7.142 13.215 2 HA ASN 19 HA ASN 19 106.430 4.332 13.312 3 HB2 ASN 19 HB2 ASN 19 105.475 5.632 11.466 4 HB3 ASN 19 HB3 ASN 19 107.097 6.081 10.954 5 HD21 ASN 19 HD21 ASN 19 107.600 4.859 9.175 6 HD22 ASN 19 HD22 ASN 19 107.301 3.200 9.009 No H/Q in entry = 6 In of MODEL 3 1 H LYS 20 H LYS 20 109.128 6.466 12.417 2 HA LYS 20 HA LYS 20 110.886 4.401 11.677 3 HB2 LYS 20 HB2 LYS 20 112.717 5.947 12.135 4 HB3 LYS 20 HB3 LYS 20 111.420 6.784 11.293 5 HG2 LYS 20 HG2 LYS 20 110.564 7.473 13.597 6 HG3 LYS 20 HG3 LYS 20 112.076 6.852 14.245 7 HD2 LYS 20 HD2 LYS 20 111.927 8.960 12.070 8 HD3 LYS 20 HD3 LYS 20 112.126 9.327 13.784 9 HE2 LYS 20 HE2 LYS 20 114.155 7.712 13.685 10 HE3 LYS 20 HE3 LYS 20 114.032 7.918 11.940 11 HZ1 LYS 20 HZ1 LYS 20 114.231 10.165 13.860 12 HZ2 LYS 20 HZ2 LYS 20 115.554 9.506 13.029 13 HZ3 LYS 20 HZ3 LYS 20 114.300 10.257 12.165 No H/Q in entry = 13 In of MODEL 3 1 H ASN 21 H ASN 21 109.949 5.681 14.777 2 HA ASN 21 HA ASN 21 111.930 4.265 16.298 3 HB2 ASN 21 HB2 ASN 21 109.484 5.859 16.957 4 HB3 ASN 21 HB3 ASN 21 110.285 4.920 18.208 5 HD21 ASN 21 HD21 ASN 21 110.243 7.965 16.791 6 HD22 ASN 21 HD22 ASN 21 111.801 8.475 17.234 No H/Q in entry = 6 In of MODEL 3 1 H LYS 22 H LYS 22 108.628 3.633 15.307 2 HA LYS 22 HA LYS 22 108.054 1.610 17.080 3 HB2 LYS 22 HB2 LYS 22 107.103 2.221 14.329 4 HB3 LYS 22 HB3 LYS 22 106.494 0.816 15.177 5 HG2 LYS 22 HG2 LYS 22 106.195 2.791 17.107 6 HG3 LYS 22 HG3 LYS 22 105.938 3.704 15.630 7 HD2 LYS 22 HD2 LYS 22 104.487 1.127 16.283 8 HD3 LYS 22 HD3 LYS 22 103.841 2.732 16.619 9 HE2 LYS 22 HE2 LYS 22 103.628 3.258 14.342 10 HE3 LYS 22 HE3 LYS 22 104.787 2.021 13.854 11 HZ1 LYS 22 HZ1 LYS 22 103.040 0.442 14.924 12 HZ2 LYS 22 HZ2 LYS 22 101.971 1.725 14.622 13 HZ3 LYS 22 HZ3 LYS 22 102.824 1.009 13.337 No H/Q in entry = 13 In of MODEL 3 1 HA PRO 23 HA PRO 23 110.831 -1.744 16.037 2 HB2 PRO 23 HB2 PRO 23 108.539 -3.565 16.635 3 HB3 PRO 23 HB3 PRO 23 110.193 -3.579 17.279 4 HG2 PRO 23 HG2 PRO 23 108.148 -2.697 18.738 5 HG3 PRO 23 HG3 PRO 23 109.748 -1.935 18.821 6 HD2 PRO 23 HD2 PRO 23 107.257 -0.941 17.480 7 HD3 PRO 23 HD3 PRO 23 108.554 -0.044 18.302 No H/Q in entry = 7 In of MODEL 3 1 H GLY 24 H GLY 24 111.307 -3.171 14.447 2 HA2 GLY 24 HA2 GLY 24 109.384 -4.132 12.530 3 HA3 GLY 24 HA3 GLY 24 111.117 -4.444 12.515 No H/Q in entry = 3 In of MODEL 3 1 H VAL 25 H VAL 25 110.010 -1.193 12.829 2 HA VAL 25 HA VAL 25 109.985 -0.658 9.988 3 HB VAL 25 HB VAL 25 110.076 1.271 12.321 No H/Q in entry = 3 In of MODEL 3 1 H VAL 26 H VAL 26 111.653 -0.014 8.810 2 HA VAL 26 HA VAL 26 114.224 0.678 10.160 3 HB VAL 26 HB VAL 26 113.804 -0.590 7.449 No H/Q in entry = 3 In of MODEL 3 1 H VAL 27 H VAL 27 114.705 2.793 9.926 2 HA VAL 27 HA VAL 27 113.404 4.286 7.781 3 HB VAL 27 HB VAL 27 113.142 5.241 10.002 No H/Q in entry = 3 In of MODEL 3 1 H LEU 28 H LEU 28 114.373 5.560 6.339 2 HA LEU 28 HA LEU 28 117.233 4.941 5.893 3 HB2 LEU 28 HB2 LEU 28 115.091 5.626 3.876 4 HB3 LEU 28 HB3 LEU 28 116.752 5.264 3.489 5 HG LEU 28 HG LEU 28 114.893 3.324 4.874 6 HD11 LEU 28 HD11 LEU 28 114.308 3.970 2.479 7 HD12 LEU 28 HD12 LEU 28 115.854 3.295 2.005 8 HD13 LEU 28 HD13 LEU 28 114.629 2.268 2.733 9 HD21 LEU 28 HD21 LEU 28 117.700 3.151 3.732 10 HD22 LEU 28 HD22 LEU 28 117.184 2.778 5.376 11 HD23 LEU 28 HD23 LEU 28 116.713 1.724 4.048 No H/Q in entry = 11 In of MODEL 3 1 HA PRO 29 HA PRO 29 118.321 9.169 5.975 2 HB2 PRO 29 HB2 PRO 29 119.506 9.042 3.256 3 HB3 PRO 29 HB3 PRO 29 120.275 9.484 4.790 4 HG2 PRO 29 HG2 PRO 29 120.774 7.147 3.656 5 HG3 PRO 29 HG3 PRO 29 120.584 7.269 5.418 6 HD2 PRO 29 HD2 PRO 29 118.618 6.329 3.369 7 HD3 PRO 29 HD3 PRO 29 119.006 5.617 4.945 No H/Q in entry = 7 In of MODEL 3 1 H SER 30 H SER 30 116.786 8.023 3.050 2 HA SER 30 HA SER 30 116.011 10.548 2.005 3 HB2 SER 30 HB2 SER 30 114.537 7.947 1.575 4 HB3 SER 30 HB3 SER 30 114.665 9.323 0.479 5 HG SER 30 HG SER 30 116.359 7.220 0.874 No H/Q in entry = 5 In of MODEL 3 1 H GLY 31 H GLY 31 114.964 8.690 4.634 2 HA2 GLY 31 HA2 GLY 31 112.687 10.490 5.085 3 HA3 GLY 31 HA3 GLY 31 113.472 9.485 6.297 No H/Q in entry = 3 In of MODEL 3 1 H LEU 32 H LEU 32 113.188 7.663 3.566 2 HA LEU 32 HA LEU 32 110.438 6.880 3.842 3 HB2 LEU 32 HB2 LEU 32 111.623 6.788 1.656 4 HB3 LEU 32 HB3 LEU 32 112.690 5.568 2.298 5 HG LEU 32 HG LEU 32 110.700 4.826 0.805 6 HD11 LEU 32 HD11 LEU 32 112.133 3.314 2.151 7 HD12 LEU 32 HD12 LEU 32 110.964 3.429 3.453 8 HD13 LEU 32 HD13 LEU 32 110.495 2.730 1.915 9 HD21 LEU 32 HD21 LEU 32 109.055 6.186 2.076 10 HD22 LEU 32 HD22 LEU 32 108.574 4.516 1.858 11 HD23 LEU 32 HD23 LEU 32 109.181 5.055 3.408 No H/Q in entry = 11 In of MODEL 3 1 H GLN 33 H GLN 33 109.663 5.215 5.058 2 HA GLN 33 HA GLN 33 111.613 3.541 6.528 3 HB2 GLN 33 HB2 GLN 33 108.988 4.704 7.460 4 HB3 GLN 33 HB3 GLN 33 109.966 3.582 8.365 5 HG2 GLN 33 HG2 GLN 33 110.959 5.426 9.241 6 HG3 GLN 33 HG3 GLN 33 111.787 5.513 7.714 7 HE21 GLN 33 HE21 GLN 33 111.407 7.829 9.148 8 HE22 GLN 33 HE22 GLN 33 110.316 8.788 8.286 No H/Q in entry = 8 In of MODEL 3 1 H TYR 34 H TYR 34 111.166 1.375 6.753 2 HA TYR 34 HA TYR 34 108.593 0.408 5.764 3 HB2 TYR 34 HB2 TYR 34 109.623 -1.269 4.338 4 HB3 TYR 34 HB3 TYR 34 110.082 0.347 3.822 5 HD1 TYR 34 HD1 TYR 34 111.181 -2.583 5.764 6 HD2 TYR 34 HD2 TYR 34 112.384 1.029 3.814 7 HE1 TYR 34 HE1 TYR 34 113.560 -3.254 6.018 8 HE2 TYR 34 HE2 TYR 34 114.767 0.378 4.073 9 HH TYR 34 HH TYR 34 116.103 -1.129 5.644 No H/Q in entry = 9 In of MODEL 3 1 H LYS 35 H LYS 35 107.818 -1.367 6.589 2 HA LYS 35 HA LYS 35 109.398 -2.765 8.646 3 HB2 LYS 35 HB2 LYS 35 107.586 -1.224 9.499 4 HB3 LYS 35 HB3 LYS 35 106.431 -2.309 8.805 5 HG2 LYS 35 HG2 LYS 35 108.076 -3.976 10.186 6 HG3 LYS 35 HG3 LYS 35 108.108 -2.571 11.182 7 HD2 LYS 35 HD2 LYS 35 106.363 -4.089 11.967 8 HD3 LYS 35 HD3 LYS 35 105.668 -2.575 11.391 9 HE2 LYS 35 HE2 LYS 35 104.758 -3.600 9.529 10 HE3 LYS 35 HE3 LYS 35 105.969 -4.894 9.533 11 HZ1 LYS 35 HZ1 LYS 35 104.780 -5.281 11.882 12 HZ2 LYS 35 HZ2 LYS 35 103.472 -4.665 10.989 13 HZ3 LYS 35 HZ3 LYS 35 104.291 -6.046 10.446 No H/Q in entry = 13 In of MODEL 3 1 H VAL 36 H VAL 36 109.582 -4.819 8.300 2 HA VAL 36 HA VAL 36 108.203 -6.015 6.029 3 HB VAL 36 HB VAL 36 110.508 -6.544 6.235 No H/Q in entry = 3 In of MODEL 3 1 H ILE 37 H ILE 37 106.215 -6.798 6.220 2 HA ILE 37 HA ILE 37 105.171 -7.631 8.775 3 HB ILE 37 HB ILE 37 103.830 -8.300 6.158 4 HD11 ILE 37 HD11 ILE 37 104.074 -5.778 8.633 5 HD12 ILE 37 HD12 ILE 37 104.925 -4.698 7.537 6 HD13 ILE 37 HD13 ILE 37 103.200 -4.559 7.759 No H/Q in entry = 6 In of MODEL 3 1 H ASN 38 H ASN 38 106.178 -9.140 5.792 2 HA ASN 38 HA ASN 38 106.471 -11.709 7.174 3 HB2 ASN 38 HB2 ASN 38 104.953 -11.254 4.619 4 HB3 ASN 38 HB3 ASN 38 105.341 -12.822 5.266 5 HD21 ASN 38 HD21 ASN 38 103.404 -9.904 5.866 6 HD22 ASN 38 HD22 ASN 38 102.372 -10.607 7.007 No H/Q in entry = 6 In of MODEL 3 1 H SER 39 H SER 39 108.486 -12.476 6.711 2 HA SER 39 HA SER 39 110.014 -11.277 4.558 3 HB2 SER 39 HB2 SER 39 111.878 -12.280 5.489 4 HB3 SER 39 HB3 SER 39 110.862 -12.030 6.905 5 HG SER 39 HG SER 39 110.629 -14.405 5.418 No H/Q in entry = 5 In of MODEL 3 1 H GLY 40 H GLY 40 110.295 -12.081 2.582 2 HA2 GLY 40 HA2 GLY 40 109.215 -13.489 0.888 3 HA3 GLY 40 HA3 GLY 40 109.396 -14.836 2.004 No H/Q in entry = 3 In of MODEL 3 1 H ASN 41 H ASN 41 111.753 -12.312 1.400 2 HA ASN 41 HA ASN 41 113.891 -12.348 0.579 3 HB2 ASN 41 HB2 ASN 41 113.776 -15.269 1.314 4 HB3 ASN 41 HB3 ASN 41 115.221 -14.274 1.143 5 HD21 ASN 41 HD21 ASN 41 112.953 -12.234 2.468 6 HD22 ASN 41 HD22 ASN 41 113.299 -12.475 4.114 No H/Q in entry = 6 In of MODEL 3 1 H GLY 42 H GLY 42 111.670 -12.881 -1.270 2 HA2 GLY 42 HA2 GLY 42 111.236 -13.940 -3.319 3 HA3 GLY 42 HA3 GLY 42 112.781 -14.766 -3.204 No H/Q in entry = 3 In of MODEL 3 1 H VAL 43 H VAL 43 111.874 -13.606 -5.477 2 HA VAL 43 HA VAL 43 114.015 -11.889 -6.210 3 HB VAL 43 HB VAL 43 112.990 -11.861 -8.406 No H/Q in entry = 3 In of MODEL 3 1 H LYS 44 H LYS 44 113.178 -9.917 -7.656 2 HA LYS 44 HA LYS 44 111.027 -8.375 -6.925 3 HB2 LYS 44 HB2 LYS 44 111.765 -6.788 -5.310 4 HB3 LYS 44 HB3 LYS 44 112.091 -8.352 -4.642 5 HG2 LYS 44 HG2 LYS 44 114.306 -7.023 -6.172 6 HG3 LYS 44 HG3 LYS 44 113.906 -6.394 -4.591 7 HD2 LYS 44 HD2 LYS 44 114.212 -9.362 -4.807 8 HD3 LYS 44 HD3 LYS 44 115.681 -8.398 -4.914 9 HE2 LYS 44 HE2 LYS 44 115.386 -7.519 -2.731 10 HE3 LYS 44 HE3 LYS 44 113.686 -7.962 -2.682 11 HZ1 LYS 44 HZ1 LYS 44 115.487 -10.165 -3.137 12 HZ2 LYS 44 HZ2 LYS 44 115.693 -9.406 -1.631 13 HZ3 LYS 44 HZ3 LYS 44 114.181 -10.027 -2.065 No H/Q in entry = 13 In of MODEL 3 1 HA PRO 45 HA PRO 45 112.778 -6.162 -10.274 2 HB2 PRO 45 HB2 PRO 45 111.102 -4.037 -10.396 3 HB3 PRO 45 HB3 PRO 45 110.586 -5.686 -10.731 4 HG2 PRO 45 HG2 PRO 45 110.045 -3.976 -8.388 5 HG3 PRO 45 HG3 PRO 45 109.144 -5.345 -9.033 6 HD2 PRO 45 HD2 PRO 45 110.942 -5.363 -6.814 7 HD3 PRO 45 HD3 PRO 45 110.030 -6.730 -7.510 No H/Q in entry = 7 In of MODEL 3 1 H GLY 46 H GLY 46 113.837 -4.372 -11.117 2 HA2 GLY 46 HA2 GLY 46 115.642 -2.870 -10.871 3 HA3 GLY 46 HA3 GLY 46 115.245 -2.709 -9.162 No H/Q in entry = 3 In of MODEL 3 1 H LYS 47 H LYS 47 115.581 -0.413 -10.057 2 HA LYS 47 HA LYS 47 113.215 0.971 -9.866 3 HB2 LYS 47 HB2 LYS 47 114.404 2.935 -10.632 4 HB3 LYS 47 HB3 LYS 47 115.436 2.012 -9.551 5 HG2 LYS 47 HG2 LYS 47 115.559 1.652 -12.564 6 HG3 LYS 47 HG3 LYS 47 116.468 2.911 -11.751 7 HD2 LYS 47 HD2 LYS 47 118.107 1.399 -11.342 8 HD3 LYS 47 HD3 LYS 47 117.024 0.549 -10.261 9 HE2 LYS 47 HE2 LYS 47 117.999 -0.905 -12.001 10 HE3 LYS 47 HE3 LYS 47 116.244 -0.845 -12.107 11 HZ1 LYS 47 HZ1 LYS 47 118.145 0.741 -13.753 12 HZ2 LYS 47 HZ2 LYS 47 117.278 -0.619 -14.278 13 HZ3 LYS 47 HZ3 LYS 47 116.451 0.806 -13.866 No H/Q in entry = 13 In of MODEL 3 1 H SER 48 H SER 48 114.562 -0.613 -12.577 2 HA SER 48 HA SER 48 112.688 0.795 -14.394 3 HB2 SER 48 HB2 SER 48 115.228 -0.743 -14.874 4 HB3 SER 48 HB3 SER 48 114.153 -0.252 -16.184 5 HG SER 48 HG SER 48 114.762 1.758 -15.914 No H/Q in entry = 5 In of MODEL 3 1 H ASP 49 H ASP 49 112.951 -2.193 -12.754 2 HA ASP 49 HA ASP 49 111.617 -3.728 -14.890 3 HB2 ASP 49 HB2 ASP 49 112.388 -4.425 -12.082 4 HB3 ASP 49 HB3 ASP 49 111.515 -5.513 -13.132 No H/Q in entry = 4 In of MODEL 3 1 H THR 50 H THR 50 109.493 -4.827 -14.329 2 HA THR 50 HA THR 50 107.765 -2.867 -12.954 3 HB THR 50 HB THR 50 106.813 -4.947 -14.891 4 HG1 THR 50 HG1 THR 50 108.308 -2.816 -15.380 5 HG21 THR 50 HG21 THR 50 105.657 -2.411 -13.781 6 HG22 THR 50 HG22 THR 50 104.968 -3.292 -15.140 7 HG23 THR 50 HG23 THR 50 105.068 -4.068 -13.560 No H/Q in entry = 7 In of MODEL 3 1 H VAL 51 H VAL 51 106.149 -3.527 -11.550 2 HA VAL 51 HA VAL 51 106.624 -6.190 -10.346 3 HB VAL 51 HB VAL 51 107.585 -4.131 -9.190 No H/Q in entry = 3 In of MODEL 3 1 H THR 52 H THR 52 104.895 -6.978 -8.936 2 HA THR 52 HA THR 52 102.192 -5.948 -9.657 3 HB THR 52 HB THR 52 103.081 -8.837 -9.567 4 HG1 THR 52 HG1 THR 52 102.090 -7.311 -11.727 5 HG21 THR 52 HG21 THR 52 100.406 -7.516 -9.814 6 HG22 THR 52 HG22 THR 52 100.702 -9.089 -10.548 7 HG23 THR 52 HG23 THR 52 100.889 -8.895 -8.820 No H/Q in entry = 7 In of MODEL 3 1 H VAL 53 H VAL 53 101.180 -5.376 -7.763 2 HA VAL 53 HA VAL 53 101.624 -7.032 -5.340 3 HB VAL 53 HB VAL 53 102.212 -5.060 -4.052 No H/Q in entry = 3 In of MODEL 3 1 H GLU 54 H GLU 54 100.243 -6.426 -3.494 2 HA GLU 54 HA GLU 54 97.712 -5.029 -4.260 3 HB2 GLU 54 HB2 GLU 54 97.764 -7.058 -2.015 4 HB3 GLU 54 HB3 GLU 54 96.412 -6.415 -2.919 5 HG2 GLU 54 HG2 GLU 54 96.635 -7.870 -4.634 6 HG3 GLU 54 HG3 GLU 54 98.355 -8.008 -4.492 No H/Q in entry = 6 In of MODEL 3 1 H TYR 55 H TYR 55 96.933 -3.520 -2.566 2 HA TYR 55 HA TYR 55 98.549 -3.305 -0.153 3 HB2 TYR 55 HB2 TYR 55 99.356 -1.029 -0.819 4 HB3 TYR 55 HB3 TYR 55 100.010 -2.342 -1.806 5 HD1 TYR 55 HD1 TYR 55 97.465 0.342 -1.693 6 HD2 TYR 55 HD2 TYR 55 99.373 -2.616 -4.123 7 HE1 TYR 55 HE1 TYR 55 96.347 1.286 -3.684 8 HE2 TYR 55 HE2 TYR 55 98.271 -1.666 -6.119 9 HH TYR 55 HH TYR 55 95.700 0.137 -6.133 No H/Q in entry = 9 In of MODEL 3 1 H THR 56 H THR 56 97.987 -1.521 1.252 2 HA THR 56 HA THR 56 95.411 -0.250 0.689 3 HB THR 56 HB THR 56 96.186 -1.592 3.220 4 HG1 THR 56 HG1 THR 56 94.313 -2.558 2.928 5 HG21 THR 56 HG21 THR 56 94.307 0.755 2.915 6 HG22 THR 56 HG22 THR 56 94.286 -0.330 4.303 7 HG23 THR 56 HG23 THR 56 95.709 0.655 3.974 No H/Q in entry = 7 In of MODEL 3 1 H GLY 57 H GLY 57 95.350 1.932 0.893 2 HA2 GLY 57 HA2 GLY 57 96.949 3.814 0.598 3 HA3 GLY 57 HA3 GLY 57 97.825 3.191 1.987 No H/Q in entry = 3 In of MODEL 3 1 H ARG 58 H ARG 58 97.632 4.784 3.506 2 HA ARG 58 HA ARG 58 95.075 6.104 3.840 3 HB2 ARG 58 HB2 ARG 58 94.592 5.405 5.984 4 HB3 ARG 58 HB3 ARG 58 95.151 3.930 5.209 5 HG2 ARG 58 HG2 ARG 58 97.292 4.037 6.281 6 HG3 ARG 58 HG3 ARG 58 97.030 5.682 6.840 7 HD2 ARG 58 HD2 ARG 58 96.585 4.453 8.758 8 HD3 ARG 58 HD3 ARG 58 94.989 4.696 8.091 9 HE ARG 58 HE ARG 58 95.011 2.423 7.270 10 HH11 ARG 58 HH11 ARG 58 97.664 3.265 9.370 11 HH12 ARG 58 HH12 ARG 58 97.986 1.627 9.818 12 HH21 ARG 58 HH21 ARG 58 95.462 0.293 7.863 13 HH22 ARG 58 HH22 ARG 58 96.749 -0.046 8.971 No H/Q in entry = 13 In of MODEL 3 1 H LEU 59 H LEU 59 95.091 7.731 5.553 2 HA LEU 59 HA LEU 59 97.463 9.401 5.341 3 HB2 LEU 59 HB2 LEU 59 94.637 9.697 6.090 4 HB3 LEU 59 HB3 LEU 59 95.698 10.739 7.005 5 HG LEU 59 HG LEU 59 96.680 11.398 4.683 6 HD11 LEU 59 HD11 LEU 59 94.004 10.275 3.874 7 HD12 LEU 59 HD12 LEU 59 95.046 11.232 2.868 8 HD13 LEU 59 HD13 LEU 59 95.557 9.639 3.398 9 HD21 LEU 59 HD21 LEU 59 95.161 12.794 6.206 10 HD22 LEU 59 HD22 LEU 59 95.172 13.202 4.497 11 HD23 LEU 59 HD23 LEU 59 93.837 12.288 5.169 No H/Q in entry = 11 In of MODEL 3 1 H ILE 60 H ILE 60 98.293 10.501 7.251 2 HA ILE 60 HA ILE 60 99.208 8.753 9.282 3 HB ILE 60 HB ILE 60 100.169 10.662 10.302 4 HD11 ILE 60 HD11 ILE 60 97.408 11.931 8.062 5 HD12 ILE 60 HD12 ILE 60 97.633 13.596 8.541 6 HD13 ILE 60 HD13 ILE 60 98.845 12.803 7.534 No H/Q in entry = 6 In of MODEL 3 1 H ASP 61 H ASP 61 96.465 10.670 8.870 2 HA ASP 61 HA ASP 61 95.614 10.668 11.647 3 HB2 ASP 61 HB2 ASP 61 95.377 12.646 10.186 4 HB3 ASP 61 HB3 ASP 61 94.251 11.739 9.173 No H/Q in entry = 4 In of MODEL 3 1 H GLY 62 H GLY 62 95.526 8.427 9.259 2 HA2 GLY 62 HA2 GLY 62 93.265 7.061 10.506 3 HA3 GLY 62 HA3 GLY 62 94.446 6.364 9.429 No H/Q in entry = 3 In of MODEL 3 1 H THR 63 H THR 63 93.404 9.253 8.070 2 HA THR 63 HA THR 63 90.893 8.409 6.989 3 HB THR 63 HB THR 63 92.705 10.429 5.683 4 HG1 THR 63 HG1 THR 63 91.525 10.461 8.151 5 HG21 THR 63 HG21 THR 63 90.516 9.596 4.661 6 HG22 THR 63 HG22 THR 63 89.723 10.425 5.990 7 HG23 THR 63 HG23 THR 63 90.698 11.341 4.847 No H/Q in entry = 7 In of MODEL 3 1 H VAL 64 H VAL 64 90.838 6.550 5.877 2 HA VAL 64 HA VAL 64 92.959 5.776 4.096 3 HB VAL 64 HB VAL 64 90.233 4.567 4.515 No H/Q in entry = 3 In of MODEL 3 1 H PHE 65 H PHE 65 93.274 6.438 2.160 2 HA PHE 65 HA PHE 65 90.978 7.591 0.690 3 HB2 PHE 65 HB2 PHE 65 92.485 9.030 -0.422 4 HB3 PHE 65 HB3 PHE 65 92.807 9.113 1.304 5 HD1 PHE 65 HD1 PHE 65 94.701 7.689 2.244 6 HD2 PHE 65 HD2 PHE 65 94.252 8.545 -1.935 7 HE1 PHE 65 HE1 PHE 65 97.106 7.192 1.889 8 HE2 PHE 65 HE2 PHE 65 96.660 8.059 -2.289 9 HZ PHE 65 HZ PHE 65 98.091 7.389 -0.368 No H/Q in entry = 9 In of MODEL 3 1 H ASP 66 H ASP 66 93.147 5.001 0.693 2 HA ASP 66 HA ASP 66 91.960 4.033 -1.740 3 HB2 ASP 66 HB2 ASP 66 93.885 5.502 -2.510 4 HB3 ASP 66 HB3 ASP 66 94.959 4.316 -1.780 No H/Q in entry = 4 In of MODEL 3 1 H SER 67 H SER 67 92.203 1.846 -2.074 2 HA SER 67 HA SER 67 93.934 0.314 -0.381 3 HB2 SER 67 HB2 SER 67 92.167 -0.998 0.663 4 HB3 SER 67 HB3 SER 67 92.050 0.702 1.116 5 HG SER 67 HG SER 67 90.177 -0.754 0.062 No H/Q in entry = 5 In of MODEL 3 1 H THR 68 H THR 68 94.045 -1.944 -0.892 2 HA THR 68 HA THR 68 92.661 -2.854 -3.295 3 HB THR 68 HB THR 68 95.673 -2.580 -3.265 4 HG1 THR 68 HG1 THR 68 93.603 -1.015 -4.246 5 HG21 THR 68 HG21 THR 68 93.728 -3.604 -5.340 6 HG22 THR 68 HG22 THR 68 95.425 -3.269 -5.656 7 HG23 THR 68 HG23 THR 68 94.982 -4.523 -4.512 No H/Q in entry = 7 In of MODEL 3 1 H GLU 69 H GLU 69 95.158 -3.422 -0.858 2 HA GLU 69 HA GLU 69 95.321 -6.218 -1.228 3 HB2 GLU 69 HB2 GLU 69 96.384 -6.285 0.942 4 HB3 GLU 69 HB3 GLU 69 97.025 -5.010 -0.071 5 HG2 GLU 69 HG2 GLU 69 96.756 -3.977 2.001 6 HG3 GLU 69 HG3 GLU 69 95.390 -3.464 1.031 No H/Q in entry = 6 In of MODEL 3 1 H LYS 70 H LYS 70 93.022 -4.197 0.355 2 HA LYS 70 HA LYS 70 91.852 -6.046 2.080 3 HB2 LYS 70 HB2 LYS 70 90.499 -3.904 0.432 4 HB3 LYS 70 HB3 LYS 70 89.800 -4.685 1.850 5 HG2 LYS 70 HG2 LYS 70 92.455 -3.295 1.994 6 HG3 LYS 70 HG3 LYS 70 90.970 -2.364 2.119 7 HD2 LYS 70 HD2 LYS 70 91.220 -4.799 3.867 8 HD3 LYS 70 HD3 LYS 70 92.165 -3.382 4.302 9 HE2 LYS 70 HE2 LYS 70 89.165 -3.433 3.860 10 HE3 LYS 70 HE3 LYS 70 89.973 -3.360 5.424 11 HZ1 LYS 70 HZ1 LYS 70 91.122 -1.330 4.078 12 HZ2 LYS 70 HZ2 LYS 70 89.535 -1.278 3.479 13 HZ3 LYS 70 HZ3 LYS 70 89.815 -1.163 5.152 No H/Q in entry = 13 In of MODEL 3 1 H THR 71 H THR 71 91.502 -5.383 -1.314 2 HA THR 71 HA THR 71 89.577 -7.463 -1.842 3 HB THR 71 HB THR 71 89.789 -6.817 -4.115 4 HG1 THR 71 HG1 THR 71 91.486 -5.506 -4.812 5 HG21 THR 71 HG21 THR 71 88.685 -5.177 -2.613 6 HG22 THR 71 HG22 THR 71 90.230 -4.345 -2.437 7 HG23 THR 71 HG23 THR 71 89.435 -4.405 -4.012 No H/Q in entry = 7 In of MODEL 3 1 H GLY 72 H GLY 72 93.039 -7.017 -1.901 2 HA2 GLY 72 HA2 GLY 72 93.495 -9.849 -1.954 3 HA3 GLY 72 HA3 GLY 72 94.725 -8.599 -1.825 No H/Q in entry = 3 In of MODEL 3 1 H LYS 73 H LYS 73 93.211 -7.382 -4.279 2 HA LYS 73 HA LYS 73 94.160 -9.237 -6.349 3 HB2 LYS 73 HB2 LYS 73 92.320 -6.884 -6.300 4 HB3 LYS 73 HB3 LYS 73 93.027 -7.391 -7.837 5 HG2 LYS 73 HG2 LYS 73 91.898 -9.402 -7.874 6 HG3 LYS 73 HG3 LYS 73 91.767 -9.504 -6.117 7 HD2 LYS 73 HD2 LYS 73 90.010 -7.907 -6.056 8 HD3 LYS 73 HD3 LYS 73 90.298 -7.405 -7.722 9 HE2 LYS 73 HE2 LYS 73 88.326 -9.085 -7.129 10 HE3 LYS 73 HE3 LYS 73 89.259 -9.279 -8.613 11 HZ1 LYS 73 HZ1 LYS 73 90.062 -10.600 -6.091 12 HZ2 LYS 73 HZ2 LYS 73 88.947 -11.316 -7.157 13 HZ3 LYS 73 HZ3 LYS 73 90.524 -10.981 -7.683 No H/Q in entry = 13 In of MODEL 3 1 HA PRO 74 HA PRO 74 97.885 -6.789 -6.426 2 HB2 PRO 74 HB2 PRO 74 98.572 -8.401 -8.820 3 HB3 PRO 74 HB3 PRO 74 99.480 -8.140 -7.319 4 HG2 PRO 74 HG2 PRO 74 98.267 -10.452 -7.804 5 HG3 PRO 74 HG3 PRO 74 98.311 -9.753 -6.181 6 HD2 PRO 74 HD2 PRO 74 96.083 -9.741 -8.176 7 HD3 PRO 74 HD3 PRO 74 96.070 -10.054 -6.433 No H/Q in entry = 7 In of MODEL 3 1 H ALA 75 H ALA 75 98.819 -5.196 -7.606 2 HA ALA 75 HA ALA 75 97.489 -4.330 -10.109 3 HB1 ALA 75 HB1 ALA 75 97.076 -3.001 -7.850 4 HB2 ALA 75 HB2 ALA 75 97.315 -2.144 -9.371 5 HB3 ALA 75 HB3 ALA 75 98.652 -2.311 -8.236 No H/Q in entry = 5 In of MODEL 3 1 H THR 76 H THR 76 98.960 -3.317 -11.639 2 HA THR 76 HA THR 76 101.787 -3.971 -11.096 3 HB THR 76 HB THR 76 101.059 -5.186 -12.972 4 HG1 THR 76 HG1 THR 76 102.702 -3.046 -13.283 5 HG21 THR 76 HG21 THR 76 99.823 -2.578 -13.884 6 HG22 THR 76 HG22 THR 76 99.957 -4.004 -14.911 7 HG23 THR 76 HG23 THR 76 98.973 -4.060 -13.448 No H/Q in entry = 7 In of MODEL 3 1 H PHE 77 H PHE 77 103.358 -2.568 -11.177 2 HA PHE 77 HA PHE 77 102.950 0.082 -12.363 3 HB2 PHE 77 HB2 PHE 77 104.159 -0.212 -9.611 4 HB3 PHE 77 HB3 PHE 77 103.815 1.268 -10.477 5 HD1 PHE 77 HD1 PHE 77 102.631 -1.014 -8.089 6 HD2 PHE 77 HD2 PHE 77 101.317 1.661 -11.172 7 HE1 PHE 77 HE1 PHE 77 100.356 -0.983 -7.092 8 HE2 PHE 77 HE2 PHE 77 99.058 1.716 -10.174 9 HZ PHE 77 HZ PHE 77 98.565 0.386 -8.139 No H/Q in entry = 9 In of MODEL 3 1 H GLN 78 H GLN 78 104.882 1.051 -12.911 2 HA GLN 78 HA GLN 78 107.174 -0.756 -13.060 3 HB2 GLN 78 HB2 GLN 78 106.594 1.881 -14.376 4 HB3 GLN 78 HB3 GLN 78 108.159 1.098 -14.460 5 HG2 GLN 78 HG2 GLN 78 106.966 -0.942 -15.347 6 HG3 GLN 78 HG3 GLN 78 105.536 0.057 -15.474 7 HE21 GLN 78 HE21 GLN 78 108.352 1.856 -15.976 8 HE22 GLN 78 HE22 GLN 78 108.331 1.902 -17.666 No H/Q in entry = 8 In of MODEL 3 1 H VAL 79 H VAL 79 108.761 -0.593 -11.620 2 HA VAL 79 HA VAL 79 108.539 0.906 -9.345 3 HB VAL 79 HB VAL 79 111.174 0.113 -10.595 No H/Q in entry = 3 In of MODEL 3 1 H SER 80 H SER 80 109.905 1.871 -12.476 2 HA SER 80 HA SER 80 111.224 4.178 -11.456 3 HB2 SER 80 HB2 SER 80 112.114 3.521 -13.499 4 HB3 SER 80 HB3 SER 80 110.528 3.175 -14.177 5 HG SER 80 HG SER 80 110.161 5.348 -14.375 No H/Q in entry = 5 In of MODEL 3 1 H GLN 81 H GLN 81 107.992 3.522 -12.541 2 HA GLN 81 HA GLN 81 107.358 6.407 -12.584 3 HB2 GLN 81 HB2 GLN 81 105.520 4.164 -13.343 4 HB3 GLN 81 HB3 GLN 81 105.390 5.873 -13.749 5 HG2 GLN 81 HG2 GLN 81 107.457 3.902 -14.752 6 HG3 GLN 81 HG3 GLN 81 106.197 4.746 -15.684 7 HE21 GLN 81 HE21 GLN 81 109.175 4.813 -16.062 8 HE22 GLN 81 HE22 GLN 81 109.618 6.445 -15.916 No H/Q in entry = 8 In of MODEL 3 1 H VAL 82 H VAL 82 107.156 3.817 -10.364 2 HA VAL 82 HA VAL 82 104.611 4.683 -9.256 3 HB VAL 82 HB VAL 82 105.530 2.301 -9.218 No H/Q in entry = 3 In of MODEL 3 1 H ILE 83 H ILE 83 104.584 5.147 -6.745 2 HA ILE 83 HA ILE 83 105.656 7.660 -6.461 3 HB ILE 83 HB ILE 83 105.364 6.480 -3.810 4 HD11 ILE 83 HD11 ILE 83 103.144 5.972 -2.857 5 HD12 ILE 83 HD12 ILE 83 102.026 6.663 -4.036 6 HD13 ILE 83 HD13 ILE 83 102.069 4.923 -3.765 No H/Q in entry = 6 In of MODEL 3 1 HA PRO 84 HA PRO 84 110.038 7.240 -5.717 2 HB2 PRO 84 HB2 PRO 84 109.660 9.038 -3.352 3 HB3 PRO 84 HB3 PRO 84 110.810 9.183 -4.694 4 HG2 PRO 84 HG2 PRO 84 108.659 10.730 -4.553 5 HG3 PRO 84 HG3 PRO 84 109.240 10.107 -6.095 6 HD2 PRO 84 HD2 PRO 84 106.897 9.258 -4.515 7 HD3 PRO 84 HD3 PRO 84 107.105 9.262 -6.264 No H/Q in entry = 7 In of MODEL 3 1 H GLY 85 H GLY 85 108.081 7.315 -2.738 2 HA2 GLY 85 HA2 GLY 85 108.165 5.950 -0.880 3 HA3 GLY 85 HA3 GLY 85 109.908 5.982 -1.072 No H/Q in entry = 3 In of MODEL 3 1 H TRP 86 H TRP 86 107.299 4.801 -3.063 2 HA TRP 86 HA TRP 86 107.609 2.025 -2.592 3 HB2 TRP 86 HB2 TRP 86 106.259 3.775 -4.604 4 HB3 TRP 86 HB3 TRP 86 106.415 2.065 -4.976 5 HD1 TRP 86 HD1 TRP 86 105.165 4.126 -1.899 6 HE1 TRP 86 HE1 TRP 86 103.061 2.954 -1.018 7 HE3 TRP 86 HE3 TRP 86 104.995 0.242 -5.099 8 HZ2 TRP 86 HZ2 TRP 86 101.519 0.621 -1.625 9 HZ3 TRP 86 HZ3 TRP 86 103.233 -1.446 -4.921 10 HH2 TRP 86 HH2 TRP 86 101.471 -1.267 -3.196 No H/Q in entry = 10 In of MODEL 3 1 H THR 87 H THR 87 109.054 4.250 -4.939 2 HA THR 87 HA THR 87 110.073 2.518 -6.803 3 HB THR 87 HB THR 87 111.539 4.887 -5.654 4 HG1 THR 87 HG1 THR 87 110.332 6.090 -7.097 5 HG21 THR 87 HG21 THR 87 112.714 3.354 -7.333 6 HG22 THR 87 HG22 THR 87 111.522 3.912 -8.491 7 HG23 THR 87 HG23 THR 87 112.601 5.055 -7.751 No H/Q in entry = 7 In of MODEL 3 1 H GLU 88 H GLU 88 111.737 3.623 -3.861 2 HA GLU 88 HA GLU 88 113.921 1.827 -4.208 3 HB2 GLU 88 HB2 GLU 88 114.122 3.966 -3.011 4 HB3 GLU 88 HB3 GLU 88 113.057 3.350 -1.748 5 HG2 GLU 88 HG2 GLU 88 114.641 1.590 -1.196 6 HG3 GLU 88 HG3 GLU 88 115.676 2.047 -2.548 No H/Q in entry = 6 In of MODEL 3 1 H ALA 89 H ALA 89 111.062 1.772 -2.104 2 HA ALA 89 HA ALA 89 111.737 -0.406 -0.516 3 HB1 ALA 89 HB1 ALA 89 109.043 0.546 -1.461 4 HB2 ALA 89 HB2 ALA 89 109.865 0.956 0.043 5 HB3 ALA 89 HB3 ALA 89 109.279 -0.681 -0.223 No H/Q in entry = 5 In of MODEL 3 1 H LEU 90 H LEU 90 109.949 -0.509 -3.636 2 HA LEU 90 HA LEU 90 109.338 -3.246 -3.588 3 HB2 LEU 90 HB2 LEU 90 110.032 -1.503 -5.964 4 HB3 LEU 90 HB3 LEU 90 109.227 -3.055 -6.051 5 HG LEU 90 HG LEU 90 108.117 -0.792 -4.398 6 HD11 LEU 90 HD11 LEU 90 107.767 -1.371 -7.326 7 HD12 LEU 90 HD12 LEU 90 106.641 -0.390 -6.428 8 HD13 LEU 90 HD13 LEU 90 108.317 0.122 -6.593 9 HD21 LEU 90 HD21 LEU 90 107.029 -3.333 -5.562 10 HD22 LEU 90 HD22 LEU 90 107.071 -2.854 -3.881 11 HD23 LEU 90 HD23 LEU 90 105.980 -2.055 -5.013 No H/Q in entry = 11 In of MODEL 3 1 H GLN 91 H GLN 91 112.163 -1.506 -4.716 2 HA GLN 91 HA GLN 91 113.557 -3.643 -5.859 3 HB2 GLN 91 HB2 GLN 91 114.623 -1.129 -4.582 4 HB3 GLN 91 HB3 GLN 91 115.500 -2.166 -5.701 5 HG2 GLN 91 HG2 GLN 91 113.969 -1.667 -7.487 6 HG3 GLN 91 HG3 GLN 91 112.868 -0.841 -6.386 7 HE21 GLN 91 HE21 GLN 91 113.116 1.180 -7.657 8 HE22 GLN 91 HE22 GLN 91 114.529 2.106 -7.527 No H/Q in entry = 8 In of MODEL 3 1 H LEU 92 H LEU 92 113.090 -2.646 -2.568 2 HA LEU 92 HA LEU 92 115.263 -4.418 -1.610 3 HB2 LEU 92 HB2 LEU 92 113.620 -2.384 -0.094 4 HB3 LEU 92 HB3 LEU 92 115.002 -3.284 0.528 5 HG LEU 92 HG LEU 92 115.107 -1.347 -1.789 6 HD11 LEU 92 HD11 LEU 92 116.032 -1.074 1.050 7 HD12 LEU 92 HD12 LEU 92 116.309 0.093 -0.244 8 HD13 LEU 92 HD13 LEU 92 114.671 -0.232 0.314 9 HD21 LEU 92 HD21 LEU 92 117.149 -3.052 -0.414 10 HD22 LEU 92 HD22 LEU 92 116.858 -2.876 -2.143 11 HD23 LEU 92 HD23 LEU 92 117.610 -1.570 -1.243 No H/Q in entry = 11 In of MODEL 3 1 H MET 93 H MET 93 111.927 -4.384 -2.076 2 HA MET 93 HA MET 93 111.353 -6.150 0.181 3 HB2 MET 93 HB2 MET 93 109.705 -4.494 -0.294 4 HB3 MET 93 HB3 MET 93 109.619 -4.994 -1.982 5 HG2 MET 93 HG2 MET 93 108.603 -7.069 -1.423 6 HG3 MET 93 HG3 MET 93 109.041 -6.914 0.275 7 HE1 MET 93 HE1 MET 93 107.476 -5.425 -2.646 8 HE2 MET 93 HE2 MET 93 105.802 -5.765 -2.250 9 HE3 MET 93 HE3 MET 93 106.437 -4.136 -2.049 No H/Q in entry = 9 In of MODEL 3 1 HA PRO 94 HA PRO 94 112.278 -9.618 -2.720 2 HB2 PRO 94 HB2 PRO 94 111.812 -11.282 -0.339 3 HB3 PRO 94 HB3 PRO 94 113.239 -11.204 -1.379 4 HG2 PRO 94 HG2 PRO 94 113.262 -10.214 1.095 5 HG3 PRO 94 HG3 PRO 94 114.123 -9.409 -0.231 6 HD2 PRO 94 HD2 PRO 94 111.466 -8.726 0.964 7 HD3 PRO 94 HD3 PRO 94 112.806 -7.676 0.527 No H/Q in entry = 7 In of MODEL 3 1 H ALA 95 H ALA 95 111.042 -11.121 -3.778 2 HA ALA 95 HA ALA 95 108.259 -10.792 -3.664 3 HB1 ALA 95 HB1 ALA 95 109.915 -12.867 -5.050 4 HB2 ALA 95 HB2 ALA 95 108.159 -12.731 -5.222 5 HB3 ALA 95 HB3 ALA 95 109.198 -11.408 -5.744 No H/Q in entry = 5 In of MODEL 3 1 H GLY 96 H GLY 96 106.647 -11.810 -2.779 2 HA2 GLY 96 HA2 GLY 96 107.110 -14.300 -1.308 3 HA3 GLY 96 HA3 GLY 96 105.555 -13.558 -1.687 No H/Q in entry = 3 In of MODEL 3 1 H SER 97 H SER 97 108.037 -11.436 -0.620 2 HA SER 97 HA SER 97 107.274 -11.597 2.186 3 HB2 SER 97 HB2 SER 97 109.168 -10.316 2.607 4 HB3 SER 97 HB3 SER 97 109.648 -11.119 1.114 5 HG SER 97 HG SER 97 108.712 -9.228 0.043 No H/Q in entry = 5 In of MODEL 3 1 H THR 98 H THR 98 105.967 -10.218 3.226 2 HA THR 98 HA THR 98 104.690 -8.076 1.643 3 HB THR 98 HB THR 98 103.673 -9.440 4.137 4 HG1 THR 98 HG1 THR 98 102.922 -10.875 2.822 5 HG21 THR 98 HG21 THR 98 102.490 -7.428 2.216 6 HG22 THR 98 HG22 THR 98 101.561 -8.323 3.417 7 HG23 THR 98 HG23 THR 98 102.823 -7.208 3.930 No H/Q in entry = 7 In of MODEL 3 1 H TRP 99 H TRP 99 105.466 -6.130 2.041 2 HA TRP 99 HA TRP 99 106.408 -5.482 4.780 3 HB2 TRP 99 HB2 TRP 99 107.207 -4.331 2.109 4 HB3 TRP 99 HB3 TRP 99 107.679 -3.630 3.645 5 HD1 TRP 99 HD1 TRP 99 107.745 -7.357 3.807 6 HE1 TRP 99 HE1 TRP 99 110.138 -8.212 3.654 7 HE3 TRP 99 HE3 TRP 99 110.034 -3.035 2.392 8 HZ2 TRP 99 HZ2 TRP 99 112.745 -7.168 3.014 9 HZ3 TRP 99 HZ3 TRP 99 112.489 -2.990 2.028 10 HH2 TRP 99 HH2 TRP 99 113.847 -5.046 2.340 No H/Q in entry = 10 In of MODEL 3 1 H GLU 100 H GLU 100 106.213 -3.249 5.392 2 HA GLU 100 HA GLU 100 103.928 -1.798 4.219 3 HB2 GLU 100 HB2 GLU 100 104.461 -2.478 7.094 4 HB3 GLU 100 HB3 GLU 100 103.820 -0.876 6.746 5 HG2 GLU 100 HG2 GLU 100 101.955 -1.872 5.525 6 HG3 GLU 100 HG3 GLU 100 102.572 -3.485 5.841 No H/Q in entry = 6 In of MODEL 3 1 H ILE 101 H ILE 101 104.533 0.233 3.581 2 HA ILE 101 HA ILE 101 106.980 1.318 4.744 3 HB ILE 101 HB ILE 101 107.897 1.924 2.732 4 HD11 ILE 101 HD11 ILE 101 107.913 2.683 0.492 5 HD12 ILE 101 HD12 ILE 101 107.240 1.149 -0.053 6 HD13 ILE 101 HD13 ILE 101 106.462 2.655 -0.498 No H/Q in entry = 6 In of MODEL 3 1 H TYR 102 H TYR 102 107.055 3.326 5.305 2 HA TYR 102 HA TYR 102 104.537 4.872 5.173 3 HB2 TYR 102 HB2 TYR 102 106.864 5.157 7.086 4 HB3 TYR 102 HB3 TYR 102 105.312 5.935 7.226 5 HD1 TYR 102 HD1 TYR 102 106.367 2.330 6.627 6 HD2 TYR 102 HD2 TYR 102 104.110 5.055 9.045 7 HE1 TYR 102 HE1 TYR 102 105.523 0.452 7.910 8 HE2 TYR 102 HE2 TYR 102 103.262 3.148 10.370 9 HH TYR 102 HH TYR 102 103.028 0.331 9.594 No H/Q in entry = 9 In of MODEL 3 1 H VAL 103 H VAL 103 104.756 6.080 3.400 2 HA VAL 103 HA VAL 103 107.289 7.073 2.564 3 HB VAL 103 HB VAL 103 104.679 7.595 1.243 No H/Q in entry = 3 In of MODEL 3 1 HA PRO 104 HA PRO 104 106.790 11.134 4.507 2 HB2 PRO 104 HB2 PRO 104 108.970 11.701 2.530 3 HB3 PRO 104 HB3 PRO 104 108.907 12.076 4.264 4 HG2 PRO 104 HG2 PRO 104 110.408 10.066 3.284 5 HG3 PRO 104 HG3 PRO 104 109.654 9.983 4.871 6 HD2 PRO 104 HD2 PRO 104 108.943 8.555 2.394 7 HD3 PRO 104 HD3 PRO 104 108.619 8.119 4.087 No H/Q in entry = 7 In of MODEL 3 1 H SER 105 H SER 105 105.672 12.942 3.766 2 HA SER 105 HA SER 105 104.113 12.787 1.520 3 HB2 SER 105 HB2 SER 105 103.563 15.091 1.847 4 HB3 SER 105 HB3 SER 105 103.849 14.397 3.439 5 HG SER 105 HG SER 105 104.984 16.495 2.492 No H/Q in entry = 5 In of MODEL 3 1 H GLY 106 H GLY 106 107.374 14.077 1.800 2 HA2 GLY 106 HA2 GLY 106 108.863 14.836 0.203 3 HA3 GLY 106 HA3 GLY 106 107.473 15.304 -0.770 No H/Q in entry = 3 In of MODEL 3 1 H LEU 107 H LEU 107 108.012 12.051 0.408 2 HA LEU 107 HA LEU 107 108.940 11.166 -2.252 3 HB2 LEU 107 HB2 LEU 107 108.778 9.647 0.369 4 HB3 LEU 107 HB3 LEU 107 109.467 9.033 -1.113 5 HG LEU 107 HG LEU 107 110.498 11.352 0.534 6 HD11 LEU 107 HD11 LEU 107 111.014 9.021 1.315 7 HD12 LEU 107 HD12 LEU 107 111.812 8.751 -0.231 8 HD13 LEU 107 HD13 LEU 107 112.441 9.960 0.880 9 HD21 LEU 107 HD21 LEU 107 111.167 10.441 -2.245 10 HD22 LEU 107 HD22 LEU 107 110.979 12.081 -1.638 11 HD23 LEU 107 HD23 LEU 107 112.424 11.156 -1.241 No H/Q in entry = 11 In of MODEL 3 1 H ALA 108 H ALA 108 106.022 11.652 -0.827 2 HA ALA 108 HA ALA 108 104.826 9.196 -1.913 3 HB1 ALA 108 HB1 ALA 108 103.521 11.183 -0.050 4 HB2 ALA 108 HB2 ALA 108 102.965 9.568 -0.470 5 HB3 ALA 108 HB3 ALA 108 104.402 9.786 0.499 No H/Q in entry = 5 In of MODEL 3 1 H TYR 109 H TYR 109 102.635 11.747 -1.334 2 HA TYR 109 HA TYR 109 102.275 12.024 -4.219 3 HB2 TYR 109 HB2 TYR 109 100.407 12.221 -1.880 4 HB3 TYR 109 HB3 TYR 109 99.990 13.013 -3.407 5 HD1 TYR 109 HD1 TYR 109 100.506 9.790 -1.756 6 HD2 TYR 109 HD2 TYR 109 99.852 11.753 -5.486 7 HE1 TYR 109 HE1 TYR 109 100.143 7.633 -2.799 8 HE2 TYR 109 HE2 TYR 109 99.479 9.600 -6.567 9 HH TYR 109 HH TYR 109 99.584 6.566 -4.695 No H/Q in entry = 9 In of MODEL 3 1 H GLY 110 H GLY 110 103.958 13.710 -2.056 2 HA2 GLY 110 HA2 GLY 110 103.474 16.209 -3.554 3 HA3 GLY 110 HA3 GLY 110 104.984 15.746 -2.809 No H/Q in entry = 3 In of MODEL 3 1 HA PRO 111 HA PRO 111 104.005 18.119 0.763 2 HB2 PRO 111 HB2 PRO 111 104.843 20.589 0.085 3 HB3 PRO 111 HB3 PRO 111 105.976 19.241 0.270 4 HG2 PRO 111 HG2 PRO 111 104.793 20.354 -2.236 5 HG3 PRO 111 HG3 PRO 111 106.480 19.927 -1.889 6 HD2 PRO 111 HD2 PRO 111 104.809 18.269 -3.247 7 HD3 PRO 111 HD3 PRO 111 106.095 17.654 -2.199 No H/Q in entry = 7 In of MODEL 3 1 H ARG 112 H ARG 112 102.601 18.840 -2.244 2 HA ARG 112 HA ARG 112 100.652 20.792 -1.234 3 HB2 ARG 112 HB2 ARG 112 101.919 20.994 -3.452 4 HB3 ARG 112 HB3 ARG 112 100.941 19.646 -4.021 5 HG2 ARG 112 HG2 ARG 112 98.882 20.974 -3.507 6 HG3 ARG 112 HG3 ARG 112 99.912 22.335 -3.068 7 HD2 ARG 112 HD2 ARG 112 100.873 22.358 -5.321 8 HD3 ARG 112 HD3 ARG 112 99.903 20.954 -5.763 9 HE ARG 112 HE ARG 112 98.387 23.257 -4.825 10 HH11 ARG 112 HH11 ARG 112 99.773 21.527 -7.480 11 HH12 ARG 112 HH12 ARG 112 98.723 22.226 -8.666 12 HH21 ARG 112 HH21 ARG 112 97.008 24.187 -6.378 13 HH22 ARG 112 HH22 ARG 112 97.144 23.716 -8.039 No H/Q in entry = 13 In of MODEL 3 1 H SER 113 H SER 113 98.316 20.392 -1.852 2 HA SER 113 HA SER 113 97.528 17.733 -1.097 3 HB2 SER 113 HB2 SER 113 95.756 19.925 -2.151 4 HB3 SER 113 HB3 SER 113 95.304 18.557 -1.144 5 HG SER 113 HG SER 113 96.937 20.772 -0.460 No H/Q in entry = 5 In of MODEL 3 1 H VAL 114 H VAL 114 98.277 16.365 -2.713 2 HA VAL 114 HA VAL 114 97.181 16.794 -5.428 3 HB VAL 114 HB VAL 114 99.304 14.769 -4.742 No H/Q in entry = 3 In of MODEL 3 1 H GLY 115 H GLY 115 95.151 15.959 -4.041 2 HA2 GLY 115 HA2 GLY 115 95.029 13.151 -3.551 3 HA3 GLY 115 HA3 GLY 115 94.376 13.537 -5.136 No H/Q in entry = 3 In of MODEL 3 1 H GLY 116 H GLY 116 92.564 12.439 -3.752 2 HA2 GLY 116 HA2 GLY 116 90.458 12.611 -2.822 3 HA3 GLY 116 HA3 GLY 116 90.484 14.273 -3.377 No H/Q in entry = 3 In of MODEL 3 1 HA PRO 117 HA PRO 117 90.307 14.363 1.289 2 HB2 PRO 117 HB2 PRO 117 91.227 12.275 2.759 3 HB3 PRO 117 HB3 PRO 117 89.607 12.296 2.045 4 HG2 PRO 117 HG2 PRO 117 92.105 11.127 0.927 5 HG3 PRO 117 HG3 PRO 117 90.531 10.348 1.133 6 HD2 PRO 117 HD2 PRO 117 91.211 11.272 -1.228 7 HD3 PRO 117 HD3 PRO 117 89.577 11.613 -0.610 No H/Q in entry = 7 In of MODEL 3 1 H ILE 118 H ILE 118 93.143 13.220 -0.241 2 HA ILE 118 HA ILE 118 95.061 13.809 1.761 3 HB ILE 118 HB ILE 118 95.435 13.927 -1.247 4 HD11 ILE 118 HD11 ILE 118 93.868 12.318 -1.625 5 HD12 ILE 118 HD12 ILE 118 95.015 11.110 -2.193 6 HD13 ILE 118 HD13 ILE 118 93.913 10.727 -0.885 No H/Q in entry = 6 In of MODEL 3 1 H GLY 119 H GLY 119 95.353 15.786 2.578 2 HA2 GLY 119 HA2 GLY 119 94.943 18.100 2.761 3 HA3 GLY 119 HA3 GLY 119 94.656 18.191 1.043 No H/Q in entry = 3 In of MODEL 3 1 HA PRO 120 HA PRO 120 98.805 19.737 0.860 2 HB2 PRO 120 HB2 PRO 120 99.259 21.656 2.745 3 HB3 PRO 120 HB3 PRO 120 98.262 21.932 1.315 4 HG2 PRO 120 HG2 PRO 120 97.409 21.292 4.093 5 HG3 PRO 120 HG3 PRO 120 96.716 22.428 2.950 6 HD2 PRO 120 HD2 PRO 120 95.660 19.977 3.467 7 HD3 PRO 120 HD3 PRO 120 95.501 20.763 1.879 No H/Q in entry = 7 In of MODEL 3 1 H ASN 121 H ASN 121 100.916 19.320 1.467 2 HA ASN 121 HA ASN 121 102.545 18.058 2.498 3 HB2 ASN 121 HB2 ASN 121 102.449 20.379 3.604 4 HB3 ASN 121 HB3 ASN 121 101.720 19.546 4.976 5 HD21 ASN 121 HD21 ASN 121 103.188 17.122 4.957 6 HD22 ASN 121 HD22 ASN 121 104.819 17.464 5.278 No H/Q in entry = 6 In of MODEL 3 1 H GLU 122 H GLU 122 100.801 16.196 2.312 2 HA GLU 122 HA GLU 122 100.406 15.063 5.012 3 HB2 GLU 122 HB2 GLU 122 98.788 13.658 3.135 4 HB3 GLU 122 HB3 GLU 122 98.250 14.699 4.453 5 HG2 GLU 122 HG2 GLU 122 97.376 15.534 2.364 6 HG3 GLU 122 HG3 GLU 122 98.585 16.660 2.969 No H/Q in entry = 6 In of MODEL 3 1 H THR 123 H THR 123 101.127 13.183 5.532 2 HA THR 123 HA THR 123 102.959 11.839 3.672 3 HB THR 123 HB THR 123 102.481 11.534 6.637 4 HG1 THR 123 HG1 THR 123 104.780 12.371 6.434 5 HG21 THR 123 HG21 THR 123 103.288 9.449 5.479 6 HG22 THR 123 HG22 THR 123 104.679 10.365 4.951 7 HG23 THR 123 HG23 THR 123 104.411 10.088 6.668 No H/Q in entry = 7 In of MODEL 3 1 H LEU 124 H LEU 124 102.436 9.974 2.743 2 HA LEU 124 HA LEU 124 99.962 8.580 3.627 3 HB2 LEU 124 HB2 LEU 124 101.294 8.615 0.900 4 HB3 LEU 124 HB3 LEU 124 99.869 7.682 1.310 5 HG LEU 124 HG LEU 124 98.955 9.553 0.248 6 HD11 LEU 124 HD11 LEU 124 98.023 9.267 2.575 7 HD12 LEU 124 HD12 LEU 124 99.061 10.609 3.041 8 HD13 LEU 124 HD13 LEU 124 97.809 10.859 1.847 9 HD21 LEU 124 HD21 LEU 124 101.111 10.780 0.102 10 HD22 LEU 124 HD22 LEU 124 99.728 11.813 0.433 11 HD23 LEU 124 HD23 LEU 124 100.823 11.373 1.726 No H/Q in entry = 11 In of MODEL 3 1 H ILE 125 H ILE 125 100.010 6.438 3.994 2 HA ILE 125 HA ILE 125 102.608 5.027 3.811 3 HB ILE 125 HB ILE 125 102.199 5.239 6.143 4 HD11 ILE 125 HD11 ILE 125 101.841 3.720 7.875 5 HD12 ILE 125 HD12 ILE 125 100.832 2.313 7.605 6 HD13 ILE 125 HD13 ILE 125 102.576 2.191 7.447 No H/Q in entry = 6 In of MODEL 3 1 H PHE 126 H PHE 126 102.527 2.916 3.066 2 HA PHE 126 HA PHE 126 99.889 1.879 2.338 3 HB2 PHE 126 HB2 PHE 126 102.143 1.594 0.391 4 HB3 PHE 126 HB3 PHE 126 100.400 1.461 0.117 5 HD1 PHE 126 HD1 PHE 126 99.236 3.302 -0.776 6 HD2 PHE 126 HD2 PHE 126 103.006 3.901 1.184 7 HE1 PHE 126 HE1 PHE 126 99.214 5.696 -1.454 8 HE2 PHE 126 HE2 PHE 126 102.969 6.279 0.510 9 HZ PHE 126 HZ PHE 126 101.089 7.167 -0.807 No H/Q in entry = 9 In of MODEL 3 1 H LYS 127 H LYS 127 99.732 -0.362 2.128 2 HA LYS 127 HA LYS 127 101.906 -1.862 3.373 3 HB2 LYS 127 HB2 LYS 127 99.432 -3.368 2.944 4 HB3 LYS 127 HB3 LYS 127 100.308 -3.094 4.433 5 HG2 LYS 127 HG2 LYS 127 98.422 -1.103 3.191 6 HG3 LYS 127 HG3 LYS 127 97.989 -2.223 4.473 7 HD2 LYS 127 HD2 LYS 127 99.556 -1.235 6.006 8 HD3 LYS 127 HD3 LYS 127 100.241 -0.215 4.754 9 HE2 LYS 127 HE2 LYS 127 98.159 1.015 4.544 10 HE3 LYS 127 HE3 LYS 127 97.351 -0.086 5.657 11 HZ1 LYS 127 HZ1 LYS 127 99.341 0.646 7.190 12 HZ2 LYS 127 HZ2 LYS 127 99.297 2.026 6.201 13 HZ3 LYS 127 HZ3 LYS 127 97.922 1.569 7.083 No H/Q in entry = 13 In of MODEL 3 1 H ILE 128 H ILE 128 103.162 -3.021 2.048 2 HA ILE 128 HA ILE 128 102.011 -3.570 -0.642 3 HB ILE 128 HB ILE 128 104.969 -3.328 -0.160 4 HD11 ILE 128 HD11 ILE 128 105.072 -0.751 -1.888 5 HD12 ILE 128 HD12 ILE 128 104.802 0.458 -0.644 6 HD13 ILE 128 HD13 ILE 128 105.959 -0.830 -0.363 No H/Q in entry = 6 In of MODEL 3 1 H HIS 129 H HIS 129 101.627 -5.494 -1.128 2 HA HIS 129 HA HIS 129 103.175 -7.737 0.019 3 HB2 HIS 129 HB2 HIS 129 100.810 -7.866 0.576 4 HB3 HIS 129 HB3 HIS 129 100.374 -7.605 -1.112 5 HD2 HIS 129 HD2 HIS 129 103.183 -10.225 -0.054 6 HE1 HIS 129 HE1 HIS 129 99.949 -12.242 -1.898 7 HE2 HIS 129 HE2 HIS 129 102.319 -12.503 -1.047 No H/Q in entry = 7 In of MODEL 3 1 H LEU 130 H LEU 130 104.541 -8.731 -1.389 2 HA LEU 130 HA LEU 130 104.231 -8.075 -4.223 3 HB2 LEU 130 HB2 LEU 130 106.460 -8.240 -2.565 4 HB3 LEU 130 HB3 LEU 130 106.547 -9.673 -3.545 5 HG LEU 130 HG LEU 130 106.228 -6.900 -4.632 6 HD11 LEU 130 HD11 LEU 130 108.616 -8.739 -4.546 7 HD12 LEU 130 HD12 LEU 130 108.559 -7.265 -5.493 8 HD13 LEU 130 HD13 LEU 130 108.468 -7.192 -3.735 9 HD21 LEU 130 HD21 LEU 130 105.206 -8.644 -6.085 10 HD22 LEU 130 HD22 LEU 130 106.631 -7.961 -6.803 11 HD23 LEU 130 HD23 LEU 130 106.729 -9.526 -6.040 No H/Q in entry = 11 In of MODEL 3 1 H ILE 131 H ILE 131 103.008 -9.356 -5.416 2 HA ILE 131 HA ILE 131 102.862 -12.222 -4.824 3 HB ILE 131 HB ILE 131 101.287 -10.437 -6.696 4 HD11 ILE 131 HD11 ILE 131 100.254 -8.959 -5.232 5 HD12 ILE 131 HD12 ILE 131 99.714 -9.438 -3.627 6 HD13 ILE 131 HD13 ILE 131 101.427 -9.312 -3.960 No H/Q in entry = 6 In of MODEL 3 1 H SER 132 H SER 132 103.716 -10.079 -7.579 2 HA SER 132 HA SER 132 105.497 -12.178 -8.574 3 HB2 SER 132 HB2 SER 132 104.465 -12.555 -10.622 4 HB3 SER 132 HB3 SER 132 103.067 -12.386 -9.562 5 HG SER 132 HG SER 132 104.215 -10.477 -11.309 No H/Q in entry = 5 In of MODEL 3 1 H VAL 133 H VAL 133 107.003 -11.431 -10.180 2 HA VAL 133 HA VAL 133 107.250 -8.473 -10.333 3 HB VAL 133 HB VAL 133 109.499 -10.458 -9.847 No H/Q in entry = 3 In of MODEL 3 1 H LYS 134 H LYS 134 107.827 -7.644 -12.248 2 HA LYS 134 HA LYS 134 108.013 -9.395 -14.547 3 HB2 LYS 134 HB2 LYS 134 106.711 -7.115 -14.229 4 HB3 LYS 134 HB3 LYS 134 108.278 -6.447 -14.683 5 HG2 LYS 134 HG2 LYS 134 107.313 -6.680 -16.790 6 HG3 LYS 134 HG3 LYS 134 108.127 -8.239 -16.649 7 HD2 LYS 134 HD2 LYS 134 106.033 -9.212 -15.747 8 HD3 LYS 134 HD3 LYS 134 105.222 -7.671 -16.011 9 HE2 LYS 134 HE2 LYS 134 106.088 -7.910 -18.465 10 HE3 LYS 134 HE3 LYS 134 106.281 -9.615 -18.051 11 HZ1 LYS 134 HZ1 LYS 134 103.761 -8.143 -17.565 12 HZ2 LYS 134 HZ2 LYS 134 104.068 -8.959 -19.023 13 HZ3 LYS 134 HZ3 LYS 134 104.011 -9.823 -17.564 No H/Q in entry = 13 In of MODEL 3 1 H LYS 135 H LYS 135 109.538 -7.439 -16.048 2 HA LYS 135 HA LYS 135 112.057 -6.854 -14.972 3 HB2 LYS 135 HB2 LYS 135 111.777 -9.598 -15.331 4 HB3 LYS 135 HB3 LYS 135 112.653 -9.113 -16.765 5 HG2 LYS 135 HG2 LYS 135 113.428 -8.282 -13.964 6 HG3 LYS 135 HG3 LYS 135 114.074 -9.697 -14.798 7 HD2 LYS 135 HD2 LYS 135 114.385 -7.615 -16.648 8 HD3 LYS 135 HD3 LYS 135 114.765 -6.853 -15.132 9 HE2 LYS 135 HE2 LYS 135 116.245 -8.864 -14.701 10 HE3 LYS 135 HE3 LYS 135 116.096 -9.219 -16.412 11 HZ1 LYS 135 HZ1 LYS 135 116.715 -6.698 -16.598 12 HZ2 LYS 135 HZ2 LYS 135 117.415 -6.967 -15.074 13 HZ3 LYS 135 HZ3 LYS 135 117.923 -7.874 -16.417 No H/Q in entry = 13 In of MODEL 3 1 H SER 136 H SER 136 113.054 -5.504 -16.149 2 HA SER 136 HA SER 136 111.968 -4.536 -18.592 3 HB2 SER 136 HB2 SER 136 113.122 -2.952 -17.294 4 HB3 SER 136 HB3 SER 136 114.518 -4.006 -17.085 5 HG SER 136 HG SER 136 115.230 -3.455 -19.013 No H/Q in entry = 5 In of MODEL 3 1 H SER 137 H SER 137 114.898 -6.404 -17.879 2 HA SER 137 HA SER 137 114.870 -8.091 -20.047 3 HB2 SER 137 HB2 SER 137 115.887 -5.371 -20.728 4 HB3 SER 137 HB3 SER 137 116.775 -6.743 -21.385 5 HG SER 137 HG SER 137 114.023 -6.118 -21.673 No H/Q in entry = 5 In of MODEL 4 1 H1 PHE 1 H1 PHE 1 95.622 26.759 1.044 2 H2 PHE 1 H2 PHE 1 94.189 27.664 1.127 3 H3 PHE 1 H3 PHE 1 95.610 28.261 1.836 4 HA PHE 1 HA PHE 1 94.409 27.475 3.631 5 HB2 PHE 1 HB2 PHE 1 93.744 24.777 3.120 6 HB3 PHE 1 HB3 PHE 1 92.627 26.134 3.141 7 HD1 PHE 1 HD1 PHE 1 95.036 24.348 0.890 8 HD2 PHE 1 HD2 PHE 1 91.468 26.727 1.186 9 HE1 PHE 1 HE1 PHE 1 94.634 24.054 -1.540 10 HE2 PHE 1 HE2 PHE 1 91.068 26.431 -1.242 11 HZ PHE 1 HZ PHE 1 92.652 25.095 -2.605 No H/Q in entry = 11 In of MODEL 4 1 H ASN 2 H ASN 2 97.117 27.523 2.862 2 HA ASN 2 HA ASN 2 98.472 25.098 3.303 3 HB2 ASN 2 HB2 ASN 2 99.298 27.975 3.593 4 HB3 ASN 2 HB3 ASN 2 100.396 26.660 4.025 5 HD21 ASN 2 HD21 ASN 2 99.776 24.779 2.002 6 HD22 ASN 2 HD22 ASN 2 100.190 25.431 0.490 No H/Q in entry = 6 In of MODEL 4 1 H LYS 3 H LYS 3 97.212 27.533 5.511 2 HA LYS 3 HA LYS 3 98.504 26.937 7.864 3 HB2 LYS 3 HB2 LYS 3 96.390 27.572 9.018 4 HB3 LYS 3 HB3 LYS 3 96.841 28.694 7.738 5 HG2 LYS 3 HG2 LYS 3 94.828 28.361 6.729 6 HG3 LYS 3 HG3 LYS 3 95.210 26.659 6.517 7 HD2 LYS 3 HD2 LYS 3 94.388 26.268 8.874 8 HD3 LYS 3 HD3 LYS 3 93.835 27.944 8.894 9 HE2 LYS 3 HE2 LYS 3 92.577 27.362 6.725 10 HE3 LYS 3 HE3 LYS 3 92.906 25.680 7.138 11 HZ1 LYS 3 HZ1 LYS 3 91.867 27.258 9.315 12 HZ2 LYS 3 HZ2 LYS 3 90.787 27.075 8.016 13 HZ3 LYS 3 HZ3 LYS 3 91.422 25.704 8.789 No H/Q in entry = 13 In of MODEL 4 1 H LYS 4 H LYS 4 96.100 25.082 6.151 2 HA LYS 4 HA LYS 4 95.570 23.159 8.184 3 HB2 LYS 4 HB2 LYS 4 94.337 23.750 5.921 4 HB3 LYS 4 HB3 LYS 4 95.386 22.503 5.258 5 HG2 LYS 4 HG2 LYS 4 93.535 22.150 7.629 6 HG3 LYS 4 HG3 LYS 4 93.181 21.626 5.988 7 HD2 LYS 4 HD2 LYS 4 95.426 20.303 6.170 8 HD3 LYS 4 HD3 LYS 4 95.227 20.561 7.902 9 HE2 LYS 4 HE2 LYS 4 92.838 19.644 7.609 10 HE3 LYS 4 HE3 LYS 4 93.400 19.052 6.044 11 HZ1 LYS 4 HZ1 LYS 4 95.334 18.371 7.915 12 HZ2 LYS 4 HZ2 LYS 4 93.834 17.960 8.603 13 HZ3 LYS 4 HZ3 LYS 4 94.279 17.331 7.089 No H/Q in entry = 13 In of MODEL 4 1 H ALA 5 H ALA 5 97.907 23.536 5.638 2 HA ALA 5 HA ALA 5 99.078 21.053 5.401 3 HB1 ALA 5 HB1 ALA 5 100.879 22.163 4.401 4 HB2 ALA 5 HB2 ALA 5 100.759 23.538 5.487 5 HB3 ALA 5 HB3 ALA 5 99.576 23.332 4.210 No H/Q in entry = 5 In of MODEL 4 1 H ASP 6 H ASP 6 99.525 23.500 7.838 2 HA ASP 6 HA ASP 6 101.785 22.423 9.113 3 HB2 ASP 6 HB2 ASP 6 99.573 24.239 9.937 4 HB3 ASP 6 HB3 ASP 6 100.676 23.640 11.159 No H/Q in entry = 4 In of MODEL 4 1 H GLU 7 H GLU 7 98.327 21.702 9.431 2 HA GLU 7 HA GLU 7 98.522 20.075 11.753 3 HB2 GLU 7 HB2 GLU 7 96.527 19.690 9.576 4 HB3 GLU 7 HB3 GLU 7 96.318 19.405 11.297 5 HG2 GLU 7 HG2 GLU 7 96.628 21.853 11.668 6 HG3 GLU 7 HG3 GLU 7 96.634 22.073 9.924 No H/Q in entry = 6 In of MODEL 4 1 H ASN 8 H ASN 8 98.322 19.256 8.347 2 HA ASN 8 HA ASN 8 98.646 16.460 8.586 3 HB2 ASN 8 HB2 ASN 8 99.598 18.254 6.355 4 HB3 ASN 8 HB3 ASN 8 99.226 16.543 6.241 5 HD21 ASN 8 HD21 ASN 8 97.795 18.004 4.513 6 HD22 ASN 8 HD22 ASN 8 96.207 18.241 5.046 No H/Q in entry = 6 In of MODEL 4 1 H LYS 9 H LYS 9 100.821 19.130 8.487 2 HA LYS 9 HA LYS 9 103.278 17.735 8.250 3 HB2 LYS 9 HB2 LYS 9 103.536 19.974 7.776 4 HB3 LYS 9 HB3 LYS 9 102.329 20.432 8.938 5 HG2 LYS 9 HG2 LYS 9 103.871 20.233 10.761 6 HG3 LYS 9 HG3 LYS 9 105.076 19.506 9.703 7 HD2 LYS 9 HD2 LYS 9 105.151 21.628 8.403 8 HD3 LYS 9 HD3 LYS 9 104.021 22.333 9.546 9 HE2 LYS 9 HE2 LYS 9 106.637 21.120 10.429 10 HE3 LYS 9 HE3 LYS 9 106.474 22.828 10.014 11 HZ1 LYS 9 HZ1 LYS 9 104.584 21.601 11.903 12 HZ2 LYS 9 HZ2 LYS 9 106.132 22.046 12.447 13 HZ3 LYS 9 HZ3 LYS 9 105.099 23.216 11.791 No H/Q in entry = 13 In of MODEL 4 1 H VAL 10 H VAL 10 101.618 19.049 11.151 2 HA VAL 10 HA VAL 10 103.602 18.039 12.910 3 HB VAL 10 HB VAL 10 100.792 18.988 13.409 No H/Q in entry = 3 In of MODEL 4 1 H LYS 11 H LYS 11 100.407 16.782 12.016 2 HA LYS 11 HA LYS 11 100.572 14.501 13.669 3 HB2 LYS 11 HB2 LYS 11 99.005 15.116 11.197 4 HB3 LYS 11 HB3 LYS 11 98.909 13.563 11.992 5 HG2 LYS 11 HG2 LYS 11 97.119 14.738 12.971 6 HG3 LYS 11 HG3 LYS 11 98.399 14.946 14.158 7 HD2 LYS 11 HD2 LYS 11 98.965 17.124 12.996 8 HD3 LYS 11 HD3 LYS 11 97.481 16.935 12.069 9 HE2 LYS 11 HE2 LYS 11 97.818 17.297 15.039 10 HE3 LYS 11 HE3 LYS 11 96.936 18.324 13.916 11 HZ1 LYS 11 HZ1 LYS 11 96.186 15.505 14.433 12 HZ2 LYS 11 HZ2 LYS 11 95.541 16.810 15.309 13 HZ3 LYS 11 HZ3 LYS 11 95.280 16.696 13.634 No H/Q in entry = 13 In of MODEL 4 1 H GLY 12 H GLY 12 101.611 15.319 10.461 2 HA2 GLY 12 HA2 GLY 12 102.893 14.199 8.900 3 HA3 GLY 12 HA3 GLY 12 102.527 12.711 9.740 No H/Q in entry = 3 In of MODEL 4 1 H GLU 13 H GLU 13 104.145 15.602 11.049 2 HA GLU 13 HA GLU 13 106.781 14.558 10.870 3 HB2 GLU 13 HB2 GLU 13 105.511 16.684 12.594 4 HB3 GLU 13 HB3 GLU 13 107.183 16.194 12.863 5 HG2 GLU 13 HG2 GLU 13 107.773 16.773 10.589 6 HG3 GLU 13 HG3 GLU 13 106.102 17.149 10.204 No H/Q in entry = 6 In of MODEL 4 1 H ALA 14 H ALA 14 104.175 14.175 13.112 2 HA ALA 14 HA ALA 14 105.676 12.878 15.158 3 HB1 ALA 14 HB1 ALA 14 103.508 14.102 15.534 4 HB2 ALA 14 HB2 ALA 14 102.699 12.793 14.679 5 HB3 ALA 14 HB3 ALA 14 103.540 12.467 16.192 No H/Q in entry = 5 In of MODEL 4 1 H PHE 15 H PHE 15 103.720 12.007 12.427 2 HA PHE 15 HA PHE 15 103.420 9.245 12.837 3 HB2 PHE 15 HB2 PHE 15 102.212 10.759 11.239 4 HB3 PHE 15 HB3 PHE 15 103.657 10.772 10.243 5 HD1 PHE 15 HD1 PHE 15 104.243 8.932 8.876 6 HD2 PHE 15 HD2 PHE 15 100.918 8.684 11.574 7 HE1 PHE 15 HE1 PHE 15 103.433 6.914 7.703 8 HE2 PHE 15 HE2 PHE 15 100.134 6.635 10.420 9 HZ PHE 15 HZ PHE 15 101.397 5.765 8.482 No H/Q in entry = 9 In of MODEL 4 1 H LEU 16 H LEU 16 105.848 11.020 10.903 2 HA LEU 16 HA LEU 16 107.323 8.623 10.323 3 HB2 LEU 16 HB2 LEU 16 108.114 11.540 10.149 4 HB3 LEU 16 HB3 LEU 16 109.186 10.223 9.711 5 HG LEU 16 HG LEU 16 107.132 9.456 8.206 6 HD11 LEU 16 HD11 LEU 16 106.601 12.385 8.733 7 HD12 LEU 16 HD12 LEU 16 106.148 11.652 7.201 8 HD13 LEU 16 HD13 LEU 16 105.460 11.042 8.711 9 HD21 LEU 16 HD21 LEU 16 109.154 11.611 7.634 10 HD22 LEU 16 HD22 LEU 16 109.211 9.900 7.235 11 HD23 LEU 16 HD23 LEU 16 108.098 10.959 6.384 No H/Q in entry = 11 In of MODEL 4 1 H THR 17 H THR 17 107.481 11.108 12.781 2 HA THR 17 HA THR 17 109.933 10.324 13.905 3 HB THR 17 HB THR 17 107.562 11.568 15.290 4 HG1 THR 17 HG1 THR 17 108.327 13.388 14.549 5 HG21 THR 17 HG21 THR 17 110.432 11.169 16.088 6 HG22 THR 17 HG22 THR 17 109.359 12.335 16.867 7 HG23 THR 17 HG23 THR 17 108.987 10.616 16.937 No H/Q in entry = 7 In of MODEL 4 1 H GLU 18 H GLU 18 106.619 9.289 14.542 2 HA GLU 18 HA GLU 18 107.377 7.479 16.581 3 HB2 GLU 18 HB2 GLU 18 105.160 8.573 16.512 4 HB3 GLU 18 HB3 GLU 18 104.782 7.608 15.091 5 HG2 GLU 18 HG2 GLU 18 105.027 5.550 16.337 6 HG3 GLU 18 HG3 GLU 18 105.599 6.432 17.751 No H/Q in entry = 6 In of MODEL 4 1 H ASN 19 H ASN 19 106.377 7.080 13.179 2 HA ASN 19 HA ASN 19 106.360 4.275 13.189 3 HB2 ASN 19 HB2 ASN 19 105.434 5.659 11.372 4 HB3 ASN 19 HB3 ASN 19 107.072 6.059 10.871 5 HD21 ASN 19 HD21 ASN 19 107.638 4.812 9.127 6 HD22 ASN 19 HD22 ASN 19 107.233 3.179 8.919 No H/Q in entry = 6 In of MODEL 4 1 H LYS 20 H LYS 20 109.070 6.430 12.403 2 HA LYS 20 HA LYS 20 110.821 4.369 11.599 3 HB2 LYS 20 HB2 LYS 20 112.652 5.910 12.103 4 HB3 LYS 20 HB3 LYS 20 111.360 6.759 11.265 5 HG2 LYS 20 HG2 LYS 20 110.480 7.362 13.618 6 HG3 LYS 20 HG3 LYS 20 112.046 6.806 14.209 7 HD2 LYS 20 HD2 LYS 20 111.730 8.925 12.066 8 HD3 LYS 20 HD3 LYS 20 111.928 9.287 13.778 9 HE2 LYS 20 HE2 LYS 20 114.055 7.814 13.638 10 HE3 LYS 20 HE3 LYS 20 113.903 8.034 11.896 11 HZ1 LYS 20 HZ1 LYS 20 113.696 10.490 12.444 12 HZ2 LYS 20 HZ2 LYS 20 114.312 10.085 13.974 13 HZ3 LYS 20 HZ3 LYS 20 115.236 9.793 12.578 No H/Q in entry = 13 In of MODEL 4 1 H ASN 21 H ASN 21 109.855 5.560 14.722 2 HA ASN 21 HA ASN 21 111.830 4.085 16.212 3 HB2 ASN 21 HB2 ASN 21 109.484 5.802 16.886 4 HB3 ASN 21 HB3 ASN 21 110.136 4.747 18.132 5 HD21 ASN 21 HD21 ASN 21 110.525 7.805 16.642 6 HD22 ASN 21 HD22 ASN 21 112.058 8.168 17.272 No H/Q in entry = 6 In of MODEL 4 1 H LYS 22 H LYS 22 108.563 3.508 15.119 2 HA LYS 22 HA LYS 22 107.896 1.502 16.897 3 HB2 LYS 22 HB2 LYS 22 107.035 2.090 14.114 4 HB3 LYS 22 HB3 LYS 22 106.380 0.714 14.973 5 HG2 LYS 22 HG2 LYS 22 106.045 2.706 16.860 6 HG3 LYS 22 HG3 LYS 22 105.885 3.622 15.373 7 HD2 LYS 22 HD2 LYS 22 104.321 1.095 15.930 8 HD3 LYS 22 HD3 LYS 22 103.720 2.717 16.270 9 HE2 LYS 22 HE2 LYS 22 103.853 3.343 13.955 10 HE3 LYS 22 HE3 LYS 22 104.724 1.862 13.555 11 HZ1 LYS 22 HZ1 LYS 22 102.580 0.790 14.611 12 HZ2 LYS 22 HZ2 LYS 22 101.882 2.258 14.114 13 HZ3 LYS 22 HZ3 LYS 22 102.631 1.244 12.976 No H/Q in entry = 13 In of MODEL 4 1 HA PRO 23 HA PRO 23 110.663 -1.859 15.875 2 HB2 PRO 23 HB2 PRO 23 108.380 -3.685 16.487 3 HB3 PRO 23 HB3 PRO 23 110.030 -3.679 17.142 4 HG2 PRO 23 HG2 PRO 23 107.981 -2.799 18.588 5 HG3 PRO 23 HG3 PRO 23 109.567 -2.006 18.651 6 HD2 PRO 23 HD2 PRO 23 107.066 -1.098 17.262 7 HD3 PRO 23 HD3 PRO 23 108.309 -0.155 18.118 No H/Q in entry = 7 In of MODEL 4 1 H GLY 24 H GLY 24 111.112 -3.300 14.258 2 HA2 GLY 24 HA2 GLY 24 109.126 -4.161 12.342 3 HA3 GLY 24 HA3 GLY 24 110.838 -4.568 12.332 No H/Q in entry = 3 In of MODEL 4 1 H VAL 25 H VAL 25 110.020 -1.253 12.690 2 HA VAL 25 HA VAL 25 110.075 -0.687 9.829 3 HB VAL 25 HB VAL 25 110.036 1.222 12.177 No H/Q in entry = 3 In of MODEL 4 1 H VAL 26 H VAL 26 111.754 0.081 8.729 2 HA VAL 26 HA VAL 26 114.266 0.786 10.169 3 HB VAL 26 HB VAL 26 113.893 -0.672 7.547 No H/Q in entry = 3 In of MODEL 4 1 H VAL 27 H VAL 27 114.746 2.889 9.904 2 HA VAL 27 HA VAL 27 113.460 4.340 7.724 3 HB VAL 27 HB VAL 27 113.113 5.282 9.940 No H/Q in entry = 3 In of MODEL 4 1 H LEU 28 H LEU 28 114.412 5.637 6.308 2 HA LEU 28 HA LEU 28 117.291 5.114 5.909 3 HB2 LEU 28 HB2 LEU 28 115.174 5.809 3.868 4 HB3 LEU 28 HB3 LEU 28 116.849 5.494 3.503 5 HG LEU 28 HG LEU 28 115.014 3.480 4.814 6 HD11 LEU 28 HD11 LEU 28 114.427 4.174 2.428 7 HD12 LEU 28 HD12 LEU 28 115.985 3.531 1.951 8 HD13 LEU 28 HD13 LEU 28 114.772 2.467 2.653 9 HD21 LEU 28 HD21 LEU 28 117.831 3.394 3.701 10 HD22 LEU 28 HD22 LEU 28 117.305 2.959 5.326 11 HD23 LEU 28 HD23 LEU 28 116.874 1.941 3.959 No H/Q in entry = 11 In of MODEL 4 1 HA PRO 29 HA PRO 29 118.276 9.371 6.153 2 HB2 PRO 29 HB2 PRO 29 119.564 9.322 3.477 3 HB3 PRO 29 HB3 PRO 29 120.262 9.760 5.046 4 HG2 PRO 29 HG2 PRO 29 120.868 7.455 3.908 5 HG3 PRO 29 HG3 PRO 29 120.595 7.546 5.660 6 HD2 PRO 29 HD2 PRO 29 118.747 6.581 3.513 7 HD3 PRO 29 HD3 PRO 29 119.087 5.861 5.096 No H/Q in entry = 7 In of MODEL 4 1 H SER 30 H SER 30 116.870 8.233 3.180 2 HA SER 30 HA SER 30 116.037 10.730 2.113 3 HB2 SER 30 HB2 SER 30 114.641 8.093 1.662 4 HB3 SER 30 HB3 SER 30 114.834 9.437 0.536 5 HG SER 30 HG SER 30 116.533 7.371 1.147 No H/Q in entry = 5 In of MODEL 4 1 H GLY 31 H GLY 31 115.026 8.844 4.728 2 HA2 GLY 31 HA2 GLY 31 112.708 10.576 5.196 3 HA3 GLY 31 HA3 GLY 31 113.494 9.539 6.379 No H/Q in entry = 3 In of MODEL 4 1 H LEU 32 H LEU 32 113.244 7.823 3.570 2 HA LEU 32 HA LEU 32 110.507 6.991 3.807 3 HB2 LEU 32 HB2 LEU 32 111.705 6.955 1.631 4 HB3 LEU 32 HB3 LEU 32 112.795 5.751 2.257 5 HG LEU 32 HG LEU 32 110.843 4.979 0.747 6 HD11 LEU 32 HD11 LEU 32 112.274 3.497 2.174 7 HD12 LEU 32 HD12 LEU 32 110.998 3.545 3.370 8 HD13 LEU 32 HD13 LEU 32 110.683 2.882 1.783 9 HD21 LEU 32 HD21 LEU 32 109.156 6.313 1.999 10 HD22 LEU 32 HD22 LEU 32 108.703 4.640 1.753 11 HD23 LEU 32 HD23 LEU 32 109.273 5.168 3.320 No H/Q in entry = 11 In of MODEL 4 1 H GLN 33 H GLN 33 109.745 5.308 4.980 2 HA GLN 33 HA GLN 33 111.697 3.598 6.415 3 HB2 GLN 33 HB2 GLN 33 109.038 4.695 7.344 4 HB3 GLN 33 HB3 GLN 33 110.017 3.550 8.227 5 HG2 GLN 33 HG2 GLN 33 110.898 5.420 9.197 6 HG3 GLN 33 HG3 GLN 33 111.836 5.487 7.740 7 HE21 GLN 33 HE21 GLN 33 111.313 7.814 9.175 8 HE22 GLN 33 HE22 GLN 33 110.309 8.787 8.222 No H/Q in entry = 8 In of MODEL 4 1 H TYR 34 H TYR 34 111.323 1.432 6.430 2 HA TYR 34 HA TYR 34 108.766 0.448 5.370 3 HB2 TYR 34 HB2 TYR 34 109.892 -1.226 4.016 4 HB3 TYR 34 HB3 TYR 34 110.347 0.388 3.489 5 HD1 TYR 34 HD1 TYR 34 111.399 -2.519 5.489 6 HD2 TYR 34 HD2 TYR 34 112.616 1.166 3.676 7 HE1 TYR 34 HE1 TYR 34 113.774 -3.094 5.937 8 HE2 TYR 34 HE2 TYR 34 114.987 0.604 4.126 9 HH TYR 34 HH TYR 34 115.900 -2.510 5.585 No H/Q in entry = 9 In of MODEL 4 1 H LYS 35 H LYS 35 108.054 -1.431 6.104 2 HA LYS 35 HA LYS 35 109.613 -2.741 8.216 3 HB2 LYS 35 HB2 LYS 35 107.934 -1.257 9.190 4 HB3 LYS 35 HB3 LYS 35 106.662 -2.070 8.306 5 HG2 LYS 35 HG2 LYS 35 108.432 -3.813 9.897 6 HG3 LYS 35 HG3 LYS 35 107.465 -2.712 10.852 7 HD2 LYS 35 HD2 LYS 35 105.449 -3.530 9.642 8 HD3 LYS 35 HD3 LYS 35 106.466 -4.715 8.822 9 HE2 LYS 35 HE2 LYS 35 105.435 -5.761 10.762 10 HE3 LYS 35 HE3 LYS 35 107.156 -5.585 11.055 11 HZ1 LYS 35 HZ1 LYS 35 106.047 -3.245 11.935 12 HZ2 LYS 35 HZ2 LYS 35 104.954 -4.439 12.449 13 HZ3 LYS 35 HZ3 LYS 35 106.587 -4.527 12.907 No H/Q in entry = 13 In of MODEL 4 1 H VAL 36 H VAL 36 109.635 -4.856 8.103 2 HA VAL 36 HA VAL 36 108.260 -6.085 5.827 3 HB VAL 36 HB VAL 36 110.595 -6.563 6.008 No H/Q in entry = 3 In of MODEL 4 1 H ILE 37 H ILE 37 106.235 -6.606 6.181 2 HA ILE 37 HA ILE 37 105.237 -7.482 8.717 3 HB ILE 37 HB ILE 37 103.907 -7.998 6.056 4 HD11 ILE 37 HD11 ILE 37 104.324 -5.568 8.729 5 HD12 ILE 37 HD12 ILE 37 104.201 -4.132 7.755 6 HD13 ILE 37 HD13 ILE 37 102.751 -4.998 8.244 No H/Q in entry = 6 In of MODEL 4 1 H ASN 38 H ASN 38 106.182 -9.011 5.711 2 HA ASN 38 HA ASN 38 106.515 -11.583 7.089 3 HB2 ASN 38 HB2 ASN 38 104.942 -11.124 4.570 4 HB3 ASN 38 HB3 ASN 38 105.491 -12.694 5.079 5 HD21 ASN 38 HD21 ASN 38 103.497 -9.937 6.201 6 HD22 ASN 38 HD22 ASN 38 102.494 -10.873 7.198 No H/Q in entry = 6 In of MODEL 4 1 H SER 39 H SER 39 108.437 -12.450 6.576 2 HA SER 39 HA SER 39 110.050 -11.213 4.482 3 HB2 SER 39 HB2 SER 39 111.879 -12.392 5.393 4 HB3 SER 39 HB3 SER 39 110.963 -11.763 6.759 5 HG SER 39 HG SER 39 109.857 -13.990 6.438 No H/Q in entry = 5 In of MODEL 4 1 H GLY 40 H GLY 40 110.159 -11.983 2.509 2 HA2 GLY 40 HA2 GLY 40 109.168 -13.425 0.846 3 HA3 GLY 40 HA3 GLY 40 109.348 -14.766 1.968 No H/Q in entry = 3 In of MODEL 4 1 H ASN 41 H ASN 41 111.682 -12.229 1.345 2 HA ASN 41 HA ASN 41 113.810 -12.237 0.524 3 HB2 ASN 41 HB2 ASN 41 113.729 -15.147 1.304 4 HB3 ASN 41 HB3 ASN 41 115.172 -14.157 1.073 5 HD21 ASN 41 HD21 ASN 41 112.933 -12.090 2.388 6 HD22 ASN 41 HD22 ASN 41 113.302 -12.288 4.036 No H/Q in entry = 6 In of MODEL 4 1 H GLY 42 H GLY 42 111.617 -12.786 -1.336 2 HA2 GLY 42 HA2 GLY 42 111.210 -13.859 -3.386 3 HA3 GLY 42 HA3 GLY 42 112.748 -14.688 -3.241 No H/Q in entry = 3 In of MODEL 4 1 H VAL 43 H VAL 43 111.882 -13.531 -5.530 2 HA VAL 43 HA VAL 43 114.053 -11.833 -6.216 3 HB VAL 43 HB VAL 43 113.035 -11.777 -8.433 No H/Q in entry = 3 In of MODEL 4 1 H LYS 44 H LYS 44 113.269 -9.860 -7.697 2 HA LYS 44 HA LYS 44 111.100 -8.314 -6.985 3 HB2 LYS 44 HB2 LYS 44 111.845 -6.709 -5.391 4 HB3 LYS 44 HB3 LYS 44 112.147 -8.273 -4.712 5 HG2 LYS 44 HG2 LYS 44 114.387 -6.986 -6.231 6 HG3 LYS 44 HG3 LYS 44 113.980 -6.331 -4.662 7 HD2 LYS 44 HD2 LYS 44 114.266 -9.309 -4.870 8 HD3 LYS 44 HD3 LYS 44 115.737 -8.341 -4.913 9 HE2 LYS 44 HE2 LYS 44 115.361 -7.487 -2.735 10 HE3 LYS 44 HE3 LYS 44 113.655 -7.918 -2.762 11 HZ1 LYS 44 HZ1 LYS 44 115.757 -9.975 -2.984 12 HZ2 LYS 44 HZ2 LYS 44 115.253 -9.405 -1.466 13 HZ3 LYS 44 HZ3 LYS 44 114.143 -10.156 -2.512 No H/Q in entry = 13 In of MODEL 4 1 HA PRO 45 HA PRO 45 112.780 -6.081 -10.348 2 HB2 PRO 45 HB2 PRO 45 111.073 -3.963 -10.401 3 HB3 PRO 45 HB3 PRO 45 110.586 -5.613 -10.780 4 HG2 PRO 45 HG2 PRO 45 109.986 -3.965 -8.418 5 HG3 PRO 45 HG3 PRO 45 109.163 -5.390 -9.053 6 HD2 PRO 45 HD2 PRO 45 111.021 -5.270 -6.863 7 HD3 PRO 45 HD3 PRO 45 110.111 -6.676 -7.485 No H/Q in entry = 7 In of MODEL 4 1 H GLY 46 H GLY 46 113.884 -4.377 -11.211 2 HA2 GLY 46 HA2 GLY 46 115.637 -2.835 -11.082 3 HA3 GLY 46 HA3 GLY 46 115.347 -2.675 -9.354 No H/Q in entry = 3 In of MODEL 4 1 H LYS 47 H LYS 47 115.684 -0.400 -10.257 2 HA LYS 47 HA LYS 47 113.368 1.054 -9.933 3 HB2 LYS 47 HB2 LYS 47 114.593 2.987 -10.573 4 HB3 LYS 47 HB3 LYS 47 115.687 1.951 -9.684 5 HG2 LYS 47 HG2 LYS 47 115.756 1.417 -12.569 6 HG3 LYS 47 HG3 LYS 47 116.115 3.088 -12.227 7 HD2 LYS 47 HD2 LYS 47 118.171 1.817 -12.267 8 HD3 LYS 47 HD3 LYS 47 117.879 2.374 -10.623 9 HE2 LYS 47 HE2 LYS 47 116.948 -0.336 -11.505 10 HE3 LYS 47 HE3 LYS 47 118.628 -0.101 -11.058 11 HZ1 LYS 47 HZ1 LYS 47 117.487 1.099 -9.018 12 HZ2 LYS 47 HZ2 LYS 47 116.246 -0.003 -9.374 13 HZ3 LYS 47 HZ3 LYS 47 117.809 -0.566 -9.022 No H/Q in entry = 13 In of MODEL 4 1 H SER 48 H SER 48 114.553 -0.508 -12.743 2 HA SER 48 HA SER 48 112.617 0.987 -14.437 3 HB2 SER 48 HB2 SER 48 115.082 -0.609 -15.117 4 HB3 SER 48 HB3 SER 48 113.952 -0.010 -16.329 5 HG SER 48 HG SER 48 115.801 1.375 -15.800 No H/Q in entry = 5 In of MODEL 4 1 H ASP 49 H ASP 49 112.931 -1.953 -12.829 2 HA ASP 49 HA ASP 49 111.632 -3.627 -14.839 3 HB2 ASP 49 HB2 ASP 49 112.386 -4.005 -11.997 4 HB3 ASP 49 HB3 ASP 49 111.566 -5.238 -12.907 No H/Q in entry = 4 In of MODEL 4 1 H THR 50 H THR 50 109.597 -4.810 -14.199 2 HA THR 50 HA THR 50 107.697 -2.915 -12.975 3 HB THR 50 HB THR 50 106.948 -5.138 -14.833 4 HG1 THR 50 HG1 THR 50 106.906 -3.390 -16.396 5 HG21 THR 50 HG21 THR 50 105.601 -2.621 -13.877 6 HG22 THR 50 HG22 THR 50 105.058 -3.553 -15.273 7 HG23 THR 50 HG23 THR 50 105.074 -4.308 -13.682 No H/Q in entry = 7 In of MODEL 4 1 H VAL 51 H VAL 51 106.175 -3.586 -11.516 2 HA VAL 51 HA VAL 51 106.738 -6.215 -10.267 3 HB VAL 51 HB VAL 51 107.665 -4.153 -9.124 No H/Q in entry = 3 In of MODEL 4 1 H THR 52 H THR 52 104.996 -7.022 -8.853 2 HA THR 52 HA THR 52 102.292 -6.035 -9.629 3 HB THR 52 HB THR 52 103.161 -8.919 -9.405 4 HG1 THR 52 HG1 THR 52 103.539 -7.414 -11.373 5 HG21 THR 52 HG21 THR 52 100.507 -7.577 -9.702 6 HG22 THR 52 HG22 THR 52 100.781 -9.156 -10.432 7 HG23 THR 52 HG23 THR 52 100.963 -8.962 -8.703 No H/Q in entry = 7 In of MODEL 4 1 H VAL 53 H VAL 53 101.258 -5.405 -7.776 2 HA VAL 53 HA VAL 53 101.675 -6.983 -5.315 3 HB VAL 53 HB VAL 53 102.351 -5.086 -4.025 No H/Q in entry = 3 In of MODEL 4 1 H GLU 54 H GLU 54 100.293 -6.316 -3.490 2 HA GLU 54 HA GLU 54 97.767 -4.950 -4.346 3 HB2 GLU 54 HB2 GLU 54 97.739 -6.864 -2.006 4 HB3 GLU 54 HB3 GLU 54 96.429 -6.296 -3.019 5 HG2 GLU 54 HG2 GLU 54 96.728 -7.885 -4.602 6 HG3 GLU 54 HG3 GLU 54 98.449 -7.958 -4.411 No H/Q in entry = 6 In of MODEL 4 1 H TYR 55 H TYR 55 96.966 -3.368 -2.696 2 HA TYR 55 HA TYR 55 98.547 -3.128 -0.274 3 HB2 TYR 55 HB2 TYR 55 99.355 -0.838 -0.911 4 HB3 TYR 55 HB3 TYR 55 100.054 -2.133 -1.885 5 HD1 TYR 55 HD1 TYR 55 97.375 0.475 -1.836 6 HD2 TYR 55 HD2 TYR 55 99.606 -2.302 -4.221 7 HE1 TYR 55 HE1 TYR 55 96.345 1.417 -3.876 8 HE2 TYR 55 HE2 TYR 55 98.591 -1.343 -6.261 9 HH TYR 55 HH TYR 55 96.078 1.144 -6.085 No H/Q in entry = 9 In of MODEL 4 1 H THR 56 H THR 56 98.012 -1.318 1.093 2 HA THR 56 HA THR 56 95.446 -0.045 0.526 3 HB THR 56 HB THR 56 96.143 -1.467 3.047 4 HG1 THR 56 HG1 THR 56 93.596 -1.172 1.976 5 HG21 THR 56 HG21 THR 56 94.258 0.881 2.743 6 HG22 THR 56 HG22 THR 56 94.218 -0.232 4.108 7 HG23 THR 56 HG23 THR 56 95.634 0.773 3.831 No H/Q in entry = 7 In of MODEL 4 1 H GLY 57 H GLY 57 95.369 2.092 0.784 2 HA2 GLY 57 HA2 GLY 57 96.912 4.015 0.587 3 HA3 GLY 57 HA3 GLY 57 97.818 3.348 1.940 No H/Q in entry = 3 In of MODEL 4 1 H ARG 58 H ARG 58 97.610 4.819 3.538 2 HA ARG 58 HA ARG 58 94.996 6.021 3.998 3 HB2 ARG 58 HB2 ARG 58 94.731 5.327 6.196 4 HB3 ARG 58 HB3 ARG 58 95.226 3.867 5.352 5 HG2 ARG 58 HG2 ARG 58 97.458 3.978 6.214 6 HG3 ARG 58 HG3 ARG 58 97.261 5.624 6.789 7 HD2 ARG 58 HD2 ARG 58 96.963 4.533 8.784 8 HD3 ARG 58 HD3 ARG 58 95.308 4.504 8.227 9 HE ARG 58 HE ARG 58 95.577 2.201 7.604 10 HH11 ARG 58 HH11 ARG 58 98.323 3.589 9.239 11 HH12 ARG 58 HH12 ARG 58 99.016 2.057 9.639 12 HH21 ARG 58 HH21 ARG 58 96.507 0.205 8.141 13 HH22 ARG 58 HH22 ARG 58 97.999 0.156 9.015 No H/Q in entry = 13 In of MODEL 4 1 H LEU 59 H LEU 59 95.008 7.697 5.609 2 HA LEU 59 HA LEU 59 97.366 9.387 5.324 3 HB2 LEU 59 HB2 LEU 59 94.542 9.697 6.088 4 HB3 LEU 59 HB3 LEU 59 95.615 10.767 6.956 5 HG LEU 59 HG LEU 59 96.573 11.360 4.615 6 HD11 LEU 59 HD11 LEU 59 95.441 9.534 3.401 7 HD12 LEU 59 HD12 LEU 59 93.893 10.218 3.829 8 HD13 LEU 59 HD13 LEU 59 94.966 11.112 2.794 9 HD21 LEU 59 HD21 LEU 59 95.033 12.779 6.104 10 HD22 LEU 59 HD22 LEU 59 95.068 13.154 4.386 11 HD23 LEU 59 HD23 LEU 59 93.725 12.251 5.053 No H/Q in entry = 11 In of MODEL 4 1 H ILE 60 H ILE 60 98.230 10.497 7.200 2 HA ILE 60 HA ILE 60 99.173 8.757 9.193 3 HB ILE 60 HB ILE 60 100.086 10.656 10.262 4 HD11 ILE 60 HD11 ILE 60 98.712 12.776 7.524 5 HD12 ILE 60 HD12 ILE 60 97.271 11.926 8.080 6 HD13 ILE 60 HD13 ILE 60 97.527 13.590 8.547 No H/Q in entry = 6 In of MODEL 4 1 H ASP 61 H ASP 61 96.344 10.614 8.924 2 HA ASP 61 HA ASP 61 95.615 10.388 11.740 3 HB2 ASP 61 HB2 ASP 61 95.314 12.485 10.368 4 HB3 ASP 61 HB3 ASP 61 94.022 11.640 9.509 No H/Q in entry = 4 In of MODEL 4 1 H GLY 62 H GLY 62 95.473 8.332 9.213 2 HA2 GLY 62 HA2 GLY 62 93.215 6.892 10.397 3 HA3 GLY 62 HA3 GLY 62 94.391 6.255 9.274 No H/Q in entry = 3 In of MODEL 4 1 H THR 63 H THR 63 93.290 9.217 8.090 2 HA THR 63 HA THR 63 90.798 8.407 6.958 3 HB THR 63 HB THR 63 92.630 10.403 5.651 4 HG1 THR 63 HG1 THR 63 92.633 10.967 7.794 5 HG21 THR 63 HG21 THR 63 90.424 9.683 4.654 6 HG22 THR 63 HG22 THR 63 89.659 10.434 6.039 7 HG23 THR 63 HG23 THR 63 90.608 11.417 4.930 No H/Q in entry = 7 In of MODEL 4 1 H VAL 64 H VAL 64 90.725 6.559 5.796 2 HA VAL 64 HA VAL 64 92.896 5.746 4.122 3 HB VAL 64 HB VAL 64 90.114 4.630 4.376 No H/Q in entry = 3 In of MODEL 4 1 H PHE 65 H PHE 65 93.407 6.545 2.289 2 HA PHE 65 HA PHE 65 91.298 7.850 0.691 3 HB2 PHE 65 HB2 PHE 65 92.951 9.158 -0.336 4 HB3 PHE 65 HB3 PHE 65 93.222 9.218 1.396 5 HD1 PHE 65 HD1 PHE 65 94.938 7.498 2.339 6 HD2 PHE 65 HD2 PHE 65 94.785 8.725 -1.759 7 HE1 PHE 65 HE1 PHE 65 97.323 6.875 2.064 8 HE2 PHE 65 HE2 PHE 65 97.179 8.108 -2.013 9 HZ PHE 65 HZ PHE 65 98.423 7.203 -0.111 No H/Q in entry = 9 In of MODEL 4 1 H ASP 66 H ASP 66 93.077 5.011 0.756 2 HA ASP 66 HA ASP 66 91.917 4.193 -1.704 3 HB2 ASP 66 HB2 ASP 66 94.153 5.627 -2.203 4 HB3 ASP 66 HB3 ASP 66 94.876 4.035 -2.018 No H/Q in entry = 4 In of MODEL 4 1 H SER 67 H SER 67 92.266 1.986 -2.233 2 HA SER 67 HA SER 67 93.866 0.369 -0.509 3 HB2 SER 67 HB2 SER 67 92.169 -0.873 0.572 4 HB3 SER 67 HB3 SER 67 91.832 0.831 0.862 5 HG SER 67 HG SER 67 89.996 -0.455 0.152 No H/Q in entry = 5 In of MODEL 4 1 H THR 68 H THR 68 93.999 -1.837 -1.081 2 HA THR 68 HA THR 68 92.657 -2.727 -3.518 3 HB THR 68 HB THR 68 95.668 -2.431 -3.384 4 HG1 THR 68 HG1 THR 68 95.024 -0.517 -4.052 5 HG21 THR 68 HG21 THR 68 93.844 -3.643 -5.466 6 HG22 THR 68 HG22 THR 68 95.540 -3.264 -5.749 7 HG23 THR 68 HG23 THR 68 95.102 -4.459 -4.546 No H/Q in entry = 7 In of MODEL 4 1 H GLU 69 H GLU 69 95.097 -3.306 -1.047 2 HA GLU 69 HA GLU 69 95.270 -6.096 -1.345 3 HB2 GLU 69 HB2 GLU 69 96.265 -6.095 0.885 4 HB3 GLU 69 HB3 GLU 69 96.972 -4.909 -0.194 5 HG2 GLU 69 HG2 GLU 69 96.704 -3.699 1.759 6 HG3 GLU 69 HG3 GLU 69 95.317 -3.268 0.782 No H/Q in entry = 6 In of MODEL 4 1 H LYS 70 H LYS 70 92.919 -4.076 0.190 2 HA LYS 70 HA LYS 70 91.794 -5.827 2.002 3 HB2 LYS 70 HB2 LYS 70 90.382 -3.914 0.152 4 HB3 LYS 70 HB3 LYS 70 89.664 -4.645 1.590 5 HG2 LYS 70 HG2 LYS 70 92.179 -2.992 1.608 6 HG3 LYS 70 HG3 LYS 70 90.580 -2.317 1.928 7 HD2 LYS 70 HD2 LYS 70 90.413 -4.164 3.759 8 HD3 LYS 70 HD3 LYS 70 92.162 -4.304 3.573 9 HE2 LYS 70 HE2 LYS 70 92.425 -1.921 4.021 10 HE3 LYS 70 HE3 LYS 70 90.682 -1.752 4.226 11 HZ1 LYS 70 HZ1 LYS 70 90.896 -3.513 5.992 12 HZ2 LYS 70 HZ2 LYS 70 92.578 -3.287 5.907 13 HZ3 LYS 70 HZ3 LYS 70 91.572 -2.002 6.372 No H/Q in entry = 13 In of MODEL 4 1 H THR 71 H THR 71 91.326 -5.500 -1.446 2 HA THR 71 HA THR 71 89.574 -7.787 -1.661 3 HB THR 71 HB THR 71 89.968 -7.390 -4.151 4 HG1 THR 71 HG1 THR 71 90.845 -5.232 -4.505 5 HG21 THR 71 HG21 THR 71 88.886 -5.176 -2.392 6 HG22 THR 71 HG22 THR 71 88.632 -5.268 -4.134 7 HG23 THR 71 HG23 THR 71 87.981 -6.523 -3.084 No H/Q in entry = 7 In of MODEL 4 1 H GLY 72 H GLY 72 92.952 -7.045 -1.887 2 HA2 GLY 72 HA2 GLY 72 93.667 -9.823 -1.889 3 HA3 GLY 72 HA3 GLY 72 94.771 -8.459 -1.801 No H/Q in entry = 3 In of MODEL 4 1 H LYS 73 H LYS 73 93.192 -7.432 -4.296 2 HA LYS 73 HA LYS 73 94.246 -9.280 -6.304 3 HB2 LYS 73 HB2 LYS 73 92.263 -7.059 -6.297 4 HB3 LYS 73 HB3 LYS 73 93.099 -7.371 -7.815 5 HG2 LYS 73 HG2 LYS 73 91.168 -8.683 -7.947 6 HG3 LYS 73 HG3 LYS 73 92.418 -9.832 -7.505 7 HD2 LYS 73 HD2 LYS 73 91.490 -8.908 -5.019 8 HD3 LYS 73 HD3 LYS 73 90.024 -9.002 -5.986 9 HE2 LYS 73 HE2 LYS 73 90.514 -11.094 -4.762 10 HE3 LYS 73 HE3 LYS 73 90.499 -11.345 -6.509 11 HZ1 LYS 73 HZ1 LYS 73 93.064 -10.595 -5.413 12 HZ2 LYS 73 HZ2 LYS 73 92.492 -12.094 -4.865 13 HZ3 LYS 73 HZ3 LYS 73 92.676 -11.815 -6.532 No H/Q in entry = 13 In of MODEL 4 1 HA PRO 74 HA PRO 74 97.925 -6.774 -6.382 2 HB2 PRO 74 HB2 PRO 74 98.644 -8.451 -8.728 3 HB3 PRO 74 HB3 PRO 74 99.547 -8.123 -7.239 4 HG2 PRO 74 HG2 PRO 74 98.377 -10.467 -7.627 5 HG3 PRO 74 HG3 PRO 74 98.383 -9.697 -6.037 6 HD2 PRO 74 HD2 PRO 74 96.185 -9.812 -8.057 7 HD3 PRO 74 HD3 PRO 74 96.158 -10.056 -6.302 No H/Q in entry = 7 In of MODEL 4 1 H ALA 75 H ALA 75 98.871 -5.207 -7.606 2 HA ALA 75 HA ALA 75 97.567 -4.420 -10.147 3 HB1 ALA 75 HB1 ALA 75 97.104 -2.988 -7.988 4 HB2 ALA 75 HB2 ALA 75 97.481 -2.179 -9.506 5 HB3 ALA 75 HB3 ALA 75 98.732 -2.378 -8.280 No H/Q in entry = 5 In of MODEL 4 1 H THR 76 H THR 76 99.088 -3.417 -11.684 2 HA THR 76 HA THR 76 101.895 -4.116 -11.069 3 HB THR 76 HB THR 76 101.156 -5.445 -12.862 4 HG1 THR 76 HG1 THR 76 102.478 -3.178 -13.932 5 HG21 THR 76 HG21 THR 76 99.994 -2.882 -13.970 6 HG22 THR 76 HG22 THR 76 100.144 -4.361 -14.915 7 HG23 THR 76 HG23 THR 76 99.119 -4.333 -13.481 No H/Q in entry = 7 In of MODEL 4 1 H PHE 77 H PHE 77 103.439 -2.703 -11.049 2 HA PHE 77 HA PHE 77 103.072 -0.076 -12.333 3 HB2 PHE 77 HB2 PHE 77 104.351 -0.431 -9.625 4 HB3 PHE 77 HB3 PHE 77 104.024 1.078 -10.460 5 HD1 PHE 77 HD1 PHE 77 102.954 -0.844 -7.862 6 HD2 PHE 77 HD2 PHE 77 101.421 1.161 -11.313 7 HE1 PHE 77 HE1 PHE 77 100.749 -0.702 -6.777 8 HE2 PHE 77 HE2 PHE 77 99.202 1.340 -10.231 9 HZ PHE 77 HZ PHE 77 98.849 0.398 -7.957 No H/Q in entry = 9 In of MODEL 4 1 H GLN 78 H GLN 78 104.981 0.932 -12.824 2 HA GLN 78 HA GLN 78 107.297 -0.842 -13.027 3 HB2 GLN 78 HB2 GLN 78 106.521 1.658 -14.488 4 HB3 GLN 78 HB3 GLN 78 108.170 1.057 -14.519 5 HG2 GLN 78 HG2 GLN 78 107.175 -1.158 -15.272 6 HG3 GLN 78 HG3 GLN 78 105.679 -0.289 -15.521 7 HE21 GLN 78 HE21 GLN 78 108.099 1.873 -16.092 8 HE22 GLN 78 HE22 GLN 78 108.264 1.695 -17.770 No H/Q in entry = 8 In of MODEL 4 1 H VAL 79 H VAL 79 108.837 -0.605 -11.597 2 HA VAL 79 HA VAL 79 108.633 0.938 -9.371 3 HB VAL 79 HB VAL 79 111.254 0.172 -10.657 No H/Q in entry = 3 In of MODEL 4 1 H SER 80 H SER 80 109.796 1.902 -12.533 2 HA SER 80 HA SER 80 111.040 4.316 -11.652 3 HB2 SER 80 HB2 SER 80 111.861 3.484 -13.681 4 HB3 SER 80 HB3 SER 80 110.241 3.212 -14.310 5 HG SER 80 HG SER 80 111.644 5.221 -14.872 No H/Q in entry = 5 In of MODEL 4 1 H GLN 81 H GLN 81 107.828 3.379 -12.497 2 HA GLN 81 HA GLN 81 106.943 6.165 -12.848 3 HB2 GLN 81 HB2 GLN 81 105.418 3.574 -13.112 4 HB3 GLN 81 HB3 GLN 81 104.835 5.164 -13.568 5 HG2 GLN 81 HG2 GLN 81 107.203 3.705 -14.766 6 HG3 GLN 81 HG3 GLN 81 105.615 3.980 -15.530 7 HE21 GLN 81 HE21 GLN 81 108.756 5.119 -15.477 8 HE22 GLN 81 HE22 GLN 81 108.482 6.720 -15.963 No H/Q in entry = 8 In of MODEL 4 1 H VAL 82 H VAL 82 107.064 3.837 -10.320 2 HA VAL 82 HA VAL 82 104.614 4.774 -9.070 3 HB VAL 82 HB VAL 82 105.515 2.433 -9.038 No H/Q in entry = 3 In of MODEL 4 1 H ILE 83 H ILE 83 104.661 5.428 -6.678 2 HA ILE 83 HA ILE 83 105.842 7.914 -6.521 3 HB ILE 83 HB ILE 83 105.552 6.907 -3.814 4 HD11 ILE 83 HD11 ILE 83 103.296 6.827 -2.881 5 HD12 ILE 83 HD12 ILE 83 101.966 6.399 -3.951 6 HD13 ILE 83 HD13 ILE 83 102.862 5.139 -3.117 No H/Q in entry = 6 In of MODEL 4 1 HA PRO 84 HA PRO 84 110.188 7.361 -5.739 2 HB2 PRO 84 HB2 PRO 84 109.853 9.146 -3.355 3 HB3 PRO 84 HB3 PRO 84 111.037 9.250 -4.672 4 HG2 PRO 84 HG2 PRO 84 108.957 10.893 -4.570 5 HG3 PRO 84 HG3 PRO 84 109.528 10.240 -6.100 6 HD2 PRO 84 HD2 PRO 84 107.125 9.500 -4.557 7 HD3 PRO 84 HD3 PRO 84 107.358 9.495 -6.306 No H/Q in entry = 7 In of MODEL 4 1 H GLY 85 H GLY 85 108.205 7.448 -2.788 2 HA2 GLY 85 HA2 GLY 85 108.234 6.058 -0.950 3 HA3 GLY 85 HA3 GLY 85 109.977 6.067 -1.112 No H/Q in entry = 3 In of MODEL 4 1 H TRP 86 H TRP 86 107.365 4.918 -3.123 2 HA TRP 86 HA TRP 86 107.642 2.133 -2.664 3 HB2 TRP 86 HB2 TRP 86 106.363 3.907 -4.702 4 HB3 TRP 86 HB3 TRP 86 106.494 2.191 -5.075 5 HD1 TRP 86 HD1 TRP 86 105.218 4.296 -2.043 6 HE1 TRP 86 HE1 TRP 86 103.070 3.195 -1.198 7 HE3 TRP 86 HE3 TRP 86 104.979 0.390 -5.225 8 HZ2 TRP 86 HZ2 TRP 86 101.462 0.910 -1.822 9 HZ3 TRP 86 HZ3 TRP 86 103.149 -1.218 -5.093 10 HH2 TRP 86 HH2 TRP 86 101.365 -0.980 -3.399 No H/Q in entry = 10 In of MODEL 4 1 H THR 87 H THR 87 109.079 4.333 -5.039 2 HA THR 87 HA THR 87 110.151 2.586 -6.845 3 HB THR 87 HB THR 87 111.577 5.010 -5.760 4 HG1 THR 87 HG1 THR 87 109.203 5.048 -6.509 5 HG21 THR 87 HG21 THR 87 112.712 3.440 -7.451 6 HG22 THR 87 HG22 THR 87 111.506 4.013 -8.583 7 HG23 THR 87 HG23 THR 87 112.609 5.142 -7.870 No H/Q in entry = 7 In of MODEL 4 1 H GLU 88 H GLU 88 111.772 3.780 -3.914 2 HA GLU 88 HA GLU 88 114.019 2.054 -4.238 3 HB2 GLU 88 HB2 GLU 88 114.082 4.246 -3.079 4 HB3 GLU 88 HB3 GLU 88 113.152 3.538 -1.756 5 HG2 GLU 88 HG2 GLU 88 114.907 1.886 -1.360 6 HG3 GLU 88 HG3 GLU 88 115.821 2.490 -2.740 No H/Q in entry = 6 In of MODEL 4 1 H ALA 89 H ALA 89 111.128 1.887 -2.175 2 HA ALA 89 HA ALA 89 111.922 -0.270 -0.586 3 HB1 ALA 89 HB1 ALA 89 109.173 0.581 -1.496 4 HB2 ALA 89 HB2 ALA 89 109.982 0.981 0.021 5 HB3 ALA 89 HB3 ALA 89 109.476 -0.671 -0.298 No H/Q in entry = 5 In of MODEL 4 1 H LEU 90 H LEU 90 110.047 -0.435 -3.664 2 HA LEU 90 HA LEU 90 109.559 -3.187 -3.642 3 HB2 LEU 90 HB2 LEU 90 110.136 -1.433 -6.041 4 HB3 LEU 90 HB3 LEU 90 109.360 -2.999 -6.085 5 HG LEU 90 HG LEU 90 108.271 -0.742 -4.416 6 HD11 LEU 90 HD11 LEU 90 107.838 -1.378 -7.322 7 HD12 LEU 90 HD12 LEU 90 106.680 -0.455 -6.393 8 HD13 LEU 90 HD13 LEU 90 108.317 0.150 -6.611 9 HD21 LEU 90 HD21 LEU 90 107.217 -3.352 -5.445 10 HD22 LEU 90 HD22 LEU 90 107.269 -2.794 -3.792 11 HD23 LEU 90 HD23 LEU 90 106.138 -2.086 -4.941 No H/Q in entry = 11 In of MODEL 4 1 H GLN 91 H GLN 91 112.354 -1.386 -4.800 2 HA GLN 91 HA GLN 91 113.706 -3.511 -6.009 3 HB2 GLN 91 HB2 GLN 91 114.792 -1.014 -4.716 4 HB3 GLN 91 HB3 GLN 91 115.688 -2.069 -5.808 5 HG2 GLN 91 HG2 GLN 91 114.134 -1.623 -7.616 6 HG3 GLN 91 HG3 GLN 91 113.082 -0.706 -6.535 7 HE21 GLN 91 HE21 GLN 91 113.312 1.414 -7.401 8 HE22 GLN 91 HE22 GLN 91 114.805 2.211 -7.533 No H/Q in entry = 8 In of MODEL 4 1 H LEU 92 H LEU 92 113.270 -2.642 -2.690 2 HA LEU 92 HA LEU 92 115.405 -4.499 -1.809 3 HB2 LEU 92 HB2 LEU 92 113.804 -2.538 -0.164 4 HB3 LEU 92 HB3 LEU 92 115.254 -3.411 0.332 5 HG LEU 92 HG LEU 92 115.160 -1.400 -1.921 6 HD11 LEU 92 HD11 LEU 92 114.748 -0.408 0.290 7 HD12 LEU 92 HD12 LEU 92 116.275 -1.091 0.847 8 HD13 LEU 92 HD13 LEU 92 116.260 0.121 -0.435 9 HD21 LEU 92 HD21 LEU 92 117.343 -2.989 -0.627 10 HD22 LEU 92 HD22 LEU 92 116.958 -2.871 -2.343 11 HD23 LEU 92 HD23 LEU 92 117.682 -1.504 -1.508 No H/Q in entry = 11 In of MODEL 4 1 H MET 93 H MET 93 112.086 -4.278 -2.263 2 HA MET 93 HA MET 93 111.284 -5.994 -0.077 3 HB2 MET 93 HB2 MET 93 110.016 -4.087 -1.153 4 HB3 MET 93 HB3 MET 93 109.662 -5.190 -2.475 5 HG2 MET 93 HG2 MET 93 108.537 -6.709 -0.964 6 HG3 MET 93 HG3 MET 93 108.999 -5.746 0.432 7 HE1 MET 93 HE1 MET 93 108.668 -3.243 0.429 8 HE2 MET 93 HE2 MET 93 108.264 -2.554 -1.133 9 HE3 MET 93 HE3 MET 93 107.090 -2.514 0.171 No H/Q in entry = 9 In of MODEL 4 1 HA PRO 94 HA PRO 94 112.245 -9.585 -2.832 2 HB2 PRO 94 HB2 PRO 94 111.752 -11.212 -0.441 3 HB3 PRO 94 HB3 PRO 94 113.213 -11.099 -1.429 4 HG2 PRO 94 HG2 PRO 94 113.096 -10.094 1.046 5 HG3 PRO 94 HG3 PRO 94 114.026 -9.305 -0.241 6 HD2 PRO 94 HD2 PRO 94 111.306 -8.612 0.795 7 HD3 PRO 94 HD3 PRO 94 112.663 -7.564 0.427 No H/Q in entry = 7 In of MODEL 4 1 H ALA 95 H ALA 95 111.001 -11.044 -3.902 2 HA ALA 95 HA ALA 95 108.210 -10.738 -3.809 3 HB1 ALA 95 HB1 ALA 95 109.912 -12.809 -5.142 4 HB2 ALA 95 HB2 ALA 95 108.159 -12.719 -5.326 5 HB3 ALA 95 HB3 ALA 95 109.167 -11.383 -5.864 No H/Q in entry = 5 In of MODEL 4 1 H GLY 96 H GLY 96 106.629 -11.681 -2.786 2 HA2 GLY 96 HA2 GLY 96 107.129 -14.191 -1.341 3 HA3 GLY 96 HA3 GLY 96 105.561 -13.475 -1.704 No H/Q in entry = 3 In of MODEL 4 1 H SER 97 H SER 97 107.984 -11.291 -0.693 2 HA SER 97 HA SER 97 107.298 -11.441 2.142 3 HB2 SER 97 HB2 SER 97 109.157 -10.089 2.501 4 HB3 SER 97 HB3 SER 97 109.639 -10.925 1.025 5 HG SER 97 HG SER 97 109.402 -8.347 1.387 No H/Q in entry = 5 In of MODEL 4 1 H THR 98 H THR 98 106.005 -10.056 3.192 2 HA THR 98 HA THR 98 104.648 -7.975 1.606 3 HB THR 98 HB THR 98 103.722 -9.273 4.169 4 HG1 THR 98 HG1 THR 98 103.099 -10.803 2.901 5 HG21 THR 98 HG21 THR 98 102.485 -7.327 2.209 6 HG22 THR 98 HG22 THR 98 101.565 -8.224 3.417 7 HG23 THR 98 HG23 THR 98 102.810 -7.085 3.923 No H/Q in entry = 7 In of MODEL 4 1 H TRP 99 H TRP 99 105.451 -6.019 1.933 2 HA TRP 99 HA TRP 99 106.448 -5.339 4.642 3 HB2 TRP 99 HB2 TRP 99 107.234 -4.260 1.933 4 HB3 TRP 99 HB3 TRP 99 107.737 -3.528 3.444 5 HD1 TRP 99 HD1 TRP 99 107.766 -7.265 3.662 6 HE1 TRP 99 HE1 TRP 99 110.143 -8.149 3.486 7 HE3 TRP 99 HE3 TRP 99 110.109 -2.991 2.169 8 HZ2 TRP 99 HZ2 TRP 99 112.748 -7.160 2.797 9 HZ3 TRP 99 HZ3 TRP 99 112.555 -2.996 1.769 10 HH2 TRP 99 HH2 TRP 99 113.876 -5.068 2.084 No H/Q in entry = 10 In of MODEL 4 1 H GLU 100 H GLU 100 106.299 -3.091 5.188 2 HA GLU 100 HA GLU 100 104.001 -1.636 4.046 3 HB2 GLU 100 HB2 GLU 100 104.690 -2.044 6.957 4 HB3 GLU 100 HB3 GLU 100 103.741 -0.666 6.419 5 HG2 GLU 100 HG2 GLU 100 102.063 -2.106 5.478 6 HG3 GLU 100 HG3 GLU 100 103.015 -3.535 5.830 No H/Q in entry = 6 In of MODEL 4 1 H ILE 101 H ILE 101 104.658 0.348 3.349 2 HA ILE 101 HA ILE 101 107.092 1.431 4.539 3 HB ILE 101 HB ILE 101 108.004 2.049 2.530 4 HD11 ILE 101 HD11 ILE 101 108.004 2.764 0.263 5 HD12 ILE 101 HD12 ILE 101 107.296 1.238 -0.250 6 HD13 ILE 101 HD13 ILE 101 106.538 2.753 -0.698 No H/Q in entry = 6 In of MODEL 4 1 H TYR 102 H TYR 102 107.129 3.404 5.167 2 HA TYR 102 HA TYR 102 104.611 4.936 5.020 3 HB2 TYR 102 HB2 TYR 102 106.917 5.182 6.956 4 HB3 TYR 102 HB3 TYR 102 105.368 5.973 7.087 5 HD1 TYR 102 HD1 TYR 102 106.403 2.365 6.449 6 HD2 TYR 102 HD2 TYR 102 104.129 5.075 8.867 7 HE1 TYR 102 HE1 TYR 102 105.514 0.478 7.686 8 HE2 TYR 102 HE2 TYR 102 103.238 3.163 10.146 9 HH TYR 102 HH TYR 102 103.681 0.917 10.628 No H/Q in entry = 9 In of MODEL 4 1 H VAL 103 H VAL 103 104.849 6.175 3.261 2 HA VAL 103 HA VAL 103 107.393 7.205 2.498 3 HB VAL 103 HB VAL 103 104.804 7.721 1.140 No H/Q in entry = 3 In of MODEL 4 1 HA PRO 104 HA PRO 104 106.798 11.198 4.532 2 HB2 PRO 104 HB2 PRO 104 109.046 11.853 2.670 3 HB3 PRO 104 HB3 PRO 104 108.915 12.155 4.414 4 HG2 PRO 104 HG2 PRO 104 110.472 10.200 3.403 5 HG3 PRO 104 HG3 PRO 104 109.670 10.044 4.962 6 HD2 PRO 104 HD2 PRO 104 109.048 8.711 2.407 7 HD3 PRO 104 HD3 PRO 104 108.680 8.207 4.074 No H/Q in entry = 7 In of MODEL 4 1 H SER 105 H SER 105 105.784 13.102 3.779 2 HA SER 105 HA SER 105 104.264 12.953 1.500 3 HB2 SER 105 HB2 SER 105 103.734 15.261 1.802 4 HB3 SER 105 HB3 SER 105 103.986 14.584 3.408 5 HG SER 105 HG SER 105 105.262 16.595 2.234 No H/Q in entry = 5 In of MODEL 4 1 H GLY 106 H GLY 106 107.515 14.255 1.862 2 HA2 GLY 106 HA2 GLY 106 109.067 14.951 0.307 3 HA3 GLY 106 HA3 GLY 106 107.716 15.473 -0.691 No H/Q in entry = 3 In of MODEL 4 1 H LEU 107 H LEU 107 108.181 12.183 0.443 2 HA LEU 107 HA LEU 107 109.141 11.332 -2.225 3 HB2 LEU 107 HB2 LEU 107 108.894 9.730 0.337 4 HB3 LEU 107 HB3 LEU 107 109.675 9.207 -1.132 5 HG LEU 107 HG LEU 107 110.559 11.444 0.693 6 HD11 LEU 107 HD11 LEU 107 111.138 9.181 1.428 7 HD12 LEU 107 HD12 LEU 107 111.860 8.853 -0.141 8 HD13 LEU 107 HD13 LEU 107 112.580 10.056 0.922 9 HD21 LEU 107 HD21 LEU 107 111.480 10.683 -2.068 10 HD22 LEU 107 HD22 LEU 107 111.076 12.286 -1.460 11 HD23 LEU 107 HD23 LEU 107 112.561 11.493 -0.938 No H/Q in entry = 11 In of MODEL 4 1 H ALA 108 H ALA 108 106.214 11.825 -0.786 2 HA ALA 108 HA ALA 108 104.997 9.439 -1.993 3 HB1 ALA 108 HB1 ALA 108 103.697 11.327 -0.029 4 HB2 ALA 108 HB2 ALA 108 103.124 9.758 -0.561 5 HB3 ALA 108 HB3 ALA 108 104.543 9.882 0.441 No H/Q in entry = 5 In of MODEL 4 1 H TYR 109 H TYR 109 102.954 12.105 -1.234 2 HA TYR 109 HA TYR 109 102.615 12.547 -4.099 3 HB2 TYR 109 HB2 TYR 109 100.679 12.434 -1.814 4 HB3 TYR 109 HB3 TYR 109 100.244 13.283 -3.301 5 HD1 TYR 109 HD1 TYR 109 100.515 10.039 -1.783 6 HD2 TYR 109 HD2 TYR 109 100.787 12.131 -5.505 7 HE1 TYR 109 HE1 TYR 109 100.413 7.920 -2.962 8 HE2 TYR 109 HE2 TYR 109 100.714 10.023 -6.712 9 HH TYR 109 HH TYR 109 101.361 7.172 -5.442 No H/Q in entry = 9 In of MODEL 4 1 H GLY 110 H GLY 110 104.208 14.147 -1.827 2 HA2 GLY 110 HA2 GLY 110 103.572 16.702 -3.187 3 HA3 GLY 110 HA3 GLY 110 105.116 16.291 -2.487 No H/Q in entry = 3 In of MODEL 4 1 HA PRO 111 HA PRO 111 104.026 18.540 1.113 2 HB2 PRO 111 HB2 PRO 111 104.766 21.026 0.534 3 HB3 PRO 111 HB3 PRO 111 105.959 19.712 0.521 4 HG2 PRO 111 HG2 PRO 111 104.482 20.898 -1.795 5 HG3 PRO 111 HG3 PRO 111 106.225 20.619 -1.615 6 HD2 PRO 111 HD2 PRO 111 104.600 18.871 -2.923 7 HD3 PRO 111 HD3 PRO 111 106.018 18.330 -2.009 No H/Q in entry = 7 In of MODEL 4 1 H ARG 112 H ARG 112 102.477 19.113 -1.826 2 HA ARG 112 HA ARG 112 100.423 20.931 -0.712 3 HB2 ARG 112 HB2 ARG 112 101.692 21.404 -2.912 4 HB3 ARG 112 HB3 ARG 112 100.771 20.065 -3.592 5 HG2 ARG 112 HG2 ARG 112 98.661 21.217 -2.939 6 HG3 ARG 112 HG3 ARG 112 99.610 22.571 -2.340 7 HD2 ARG 112 HD2 ARG 112 100.600 22.787 -4.650 8 HD3 ARG 112 HD3 ARG 112 99.452 21.561 -5.185 9 HE ARG 112 HE ARG 112 97.915 23.468 -3.923 10 HH11 ARG 112 HH11 ARG 112 100.181 23.366 -6.541 11 HH12 ARG 112 HH12 ARG 112 99.452 24.684 -7.397 12 HH21 ARG 112 HH21 ARG 112 96.957 25.181 -5.045 13 HH22 ARG 112 HH22 ARG 112 97.624 25.711 -6.552 No H/Q in entry = 13 In of MODEL 4 1 H SER 113 H SER 113 98.145 20.409 -1.417 2 HA SER 113 HA SER 113 97.522 17.655 -0.870 3 HB2 SER 113 HB2 SER 113 95.604 19.747 -1.885 4 HB3 SER 113 HB3 SER 113 95.278 18.350 -0.862 5 HG SER 113 HG SER 113 96.943 20.531 -0.161 No H/Q in entry = 5 In of MODEL 4 1 H VAL 114 H VAL 114 98.257 16.362 -2.543 2 HA VAL 114 HA VAL 114 97.312 17.007 -5.291 3 HB VAL 114 HB VAL 114 99.430 14.994 -4.562 No H/Q in entry = 3 In of MODEL 4 1 H GLY 115 H GLY 115 95.214 16.113 -4.069 2 HA2 GLY 115 HA2 GLY 115 95.047 13.269 -3.787 3 HA3 GLY 115 HA3 GLY 115 94.429 13.794 -5.347 No H/Q in entry = 3 In of MODEL 4 1 H GLY 116 H GLY 116 92.712 12.524 -3.744 2 HA2 GLY 116 HA2 GLY 116 90.553 12.687 -2.940 3 HA3 GLY 116 HA3 GLY 116 90.583 14.364 -3.433 No H/Q in entry = 3 In of MODEL 4 1 HA PRO 117 HA PRO 117 90.259 14.312 1.203 2 HB2 PRO 117 HB2 PRO 117 91.118 12.150 2.642 3 HB3 PRO 117 HB3 PRO 117 89.503 12.278 1.942 4 HG2 PRO 117 HG2 PRO 117 91.902 10.901 0.853 5 HG3 PRO 117 HG3 PRO 117 90.236 10.337 0.920 6 HD2 PRO 117 HD2 PRO 117 91.270 11.292 -1.342 7 HD3 PRO 117 HD3 PRO 117 89.590 11.651 -0.890 No H/Q in entry = 7 In of MODEL 4 1 H ILE 118 H ILE 118 93.164 13.210 -0.223 2 HA ILE 118 HA ILE 118 94.963 13.740 1.906 3 HB ILE 118 HB ILE 118 95.587 14.022 -1.040 4 HD11 ILE 118 HD11 ILE 118 94.037 12.558 -1.814 5 HD12 ILE 118 HD12 ILE 118 95.287 11.453 -2.364 6 HD13 ILE 118 HD13 ILE 118 93.973 10.871 -1.367 No H/Q in entry = 6 In of MODEL 4 1 H GLY 119 H GLY 119 95.161 15.664 2.820 2 HA2 GLY 119 HA2 GLY 119 94.885 17.947 3.107 3 HA3 GLY 119 HA3 GLY 119 94.580 18.129 1.390 No H/Q in entry = 3 In of MODEL 4 1 HA PRO 120 HA PRO 120 98.663 19.725 1.049 2 HB2 PRO 120 HB2 PRO 120 99.083 21.650 2.946 3 HB3 PRO 120 HB3 PRO 120 98.079 21.906 1.523 4 HG2 PRO 120 HG2 PRO 120 97.244 21.190 4.289 5 HG3 PRO 120 HG3 PRO 120 96.539 22.360 3.188 6 HD2 PRO 120 HD2 PRO 120 95.452 19.936 3.581 7 HD3 PRO 120 HD3 PRO 120 95.409 20.710 1.985 No H/Q in entry = 7 In of MODEL 4 1 H ASN 121 H ASN 121 100.760 19.211 1.571 2 HA ASN 121 HA ASN 121 102.457 18.108 2.653 3 HB2 ASN 121 HB2 ASN 121 102.261 20.325 3.860 4 HB3 ASN 121 HB3 ASN 121 101.384 19.456 5.122 5 HD21 ASN 121 HD21 ASN 121 102.585 17.639 6.204 6 HD22 ASN 121 HD22 ASN 121 104.279 17.706 6.283 No H/Q in entry = 6 In of MODEL 4 1 H GLU 122 H GLU 122 100.585 16.310 2.254 2 HA GLU 122 HA GLU 122 99.989 14.972 4.814 3 HB2 GLU 122 HB2 GLU 122 98.992 14.659 2.001 4 HB3 GLU 122 HB3 GLU 122 98.728 13.397 3.196 5 HG2 GLU 122 HG2 GLU 122 97.920 16.275 3.600 6 HG3 GLU 122 HG3 GLU 122 96.852 15.028 2.973 No H/Q in entry = 6 In of MODEL 4 1 H THR 123 H THR 123 100.996 13.203 5.450 2 HA THR 123 HA THR 123 103.045 11.997 3.705 3 HB THR 123 HB THR 123 102.428 11.594 6.639 4 HG1 THR 123 HG1 THR 123 104.437 12.968 5.215 5 HG21 THR 123 HG21 THR 123 103.313 9.560 5.524 6 HG22 THR 123 HG22 THR 123 104.664 10.502 4.942 7 HG23 THR 123 HG23 THR 123 104.457 10.231 6.670 No H/Q in entry = 7 In of MODEL 4 1 H LEU 124 H LEU 124 102.589 10.122 2.693 2 HA LEU 124 HA LEU 124 100.121 8.671 3.503 3 HB2 LEU 124 HB2 LEU 124 101.496 8.757 0.794 4 HB3 LEU 124 HB3 LEU 124 100.101 7.789 1.198 5 HG LEU 124 HG LEU 124 99.154 9.652 0.110 6 HD11 LEU 124 HD11 LEU 124 98.171 9.276 2.410 7 HD12 LEU 124 HD12 LEU 124 99.137 10.655 2.927 8 HD13 LEU 124 HD13 LEU 124 97.910 10.868 1.700 9 HD21 LEU 124 HD21 LEU 124 101.261 10.945 0.054 10 HD22 LEU 124 HD22 LEU 124 99.841 11.929 0.379 11 HD23 LEU 124 HD23 LEU 124 100.918 11.484 1.686 No H/Q in entry = 11 In of MODEL 4 1 H ILE 125 H ILE 125 100.150 6.587 3.899 2 HA ILE 125 HA ILE 125 102.708 5.113 3.710 3 HB ILE 125 HB ILE 125 102.286 5.306 6.045 4 HD11 ILE 125 HD11 ILE 125 101.999 3.744 7.740 5 HD12 ILE 125 HD12 ILE 125 100.761 2.532 7.479 6 HD13 ILE 125 HD13 ILE 125 102.456 2.118 7.289 No H/Q in entry = 6 In of MODEL 4 1 H PHE 126 H PHE 126 102.593 3.032 2.927 2 HA PHE 126 HA PHE 126 99.931 2.041 2.210 3 HB2 PHE 126 HB2 PHE 126 102.161 1.671 0.253 4 HB3 PHE 126 HB3 PHE 126 100.411 1.624 -0.005 5 HD1 PHE 126 HD1 PHE 126 99.336 3.502 -0.901 6 HD2 PHE 126 HD2 PHE 126 103.144 3.950 1.024 7 HE1 PHE 126 HE1 PHE 126 99.420 5.882 -1.615 8 HE2 PHE 126 HE2 PHE 126 103.211 6.321 0.322 9 HZ PHE 126 HZ PHE 126 101.364 7.284 -0.991 No H/Q in entry = 9 In of MODEL 4 1 H LYS 127 H LYS 127 99.745 -0.197 2.021 2 HA LYS 127 HA LYS 127 101.910 -1.707 3.285 3 HB2 LYS 127 HB2 LYS 127 99.439 -3.212 2.810 4 HB3 LYS 127 HB3 LYS 127 100.282 -2.943 4.316 5 HG2 LYS 127 HG2 LYS 127 98.414 -0.958 3.047 6 HG3 LYS 127 HG3 LYS 127 97.963 -2.082 4.314 7 HD2 LYS 127 HD2 LYS 127 99.599 -1.091 5.847 8 HD3 LYS 127 HD3 LYS 127 100.126 0.034 4.600 9 HE2 LYS 127 HE2 LYS 127 97.843 0.964 4.487 10 HE3 LYS 127 HE3 LYS 127 97.336 -0.142 5.761 11 HZ1 LYS 127 HZ1 LYS 127 98.984 0.875 7.223 12 HZ2 LYS 127 HZ2 LYS 127 99.426 1.952 5.986 13 HZ3 LYS 127 HZ3 LYS 127 97.870 2.021 6.654 No H/Q in entry = 13 In of MODEL 4 1 H ILE 128 H ILE 128 103.177 -2.847 1.933 2 HA ILE 128 HA ILE 128 101.997 -3.397 -0.753 3 HB ILE 128 HB ILE 128 104.943 -3.092 -0.282 4 HD11 ILE 128 HD11 ILE 128 105.012 -0.542 -2.048 5 HD12 ILE 128 HD12 ILE 128 104.757 0.667 -0.802 6 HD13 ILE 128 HD13 ILE 128 105.905 -0.633 -0.530 No H/Q in entry = 6 In of MODEL 4 1 H HIS 129 H HIS 129 101.616 -5.338 -1.182 2 HA HIS 129 HA HIS 129 103.206 -7.534 -0.003 3 HB2 HIS 129 HB2 HIS 129 100.855 -7.695 0.574 4 HB3 HIS 129 HB3 HIS 129 100.393 -7.447 -1.107 5 HD2 HIS 129 HD2 HIS 129 103.223 -10.047 -0.077 6 HE1 HIS 129 HE1 HIS 129 99.964 -12.102 -1.830 7 HE2 HIS 129 HE2 HIS 129 102.345 -12.343 -1.005 No H/Q in entry = 7 In of MODEL 4 1 H LEU 130 H LEU 130 104.588 -8.543 -1.378 2 HA LEU 130 HA LEU 130 104.283 -7.976 -4.226 3 HB2 LEU 130 HB2 LEU 130 106.486 -8.007 -2.560 4 HB3 LEU 130 HB3 LEU 130 106.613 -9.514 -3.413 5 HG LEU 130 HG LEU 130 106.253 -6.846 -4.736 6 HD11 LEU 130 HD11 LEU 130 108.686 -8.589 -4.428 7 HD12 LEU 130 HD12 LEU 130 108.615 -7.219 -5.518 8 HD13 LEU 130 HD13 LEU 130 108.472 -6.974 -3.774 9 HD21 LEU 130 HD21 LEU 130 105.309 -8.753 -6.027 10 HD22 LEU 130 HD22 LEU 130 106.703 -8.064 -6.807 11 HD23 LEU 130 HD23 LEU 130 106.878 -9.557 -5.917 No H/Q in entry = 11 In of MODEL 4 1 H ILE 131 H ILE 131 103.094 -9.309 -5.383 2 HA ILE 131 HA ILE 131 102.954 -12.154 -4.708 3 HB ILE 131 HB ILE 131 101.389 -10.396 -6.609 4 HD11 ILE 131 HD11 ILE 131 100.338 -8.921 -5.146 5 HD12 ILE 131 HD12 ILE 131 99.797 -9.408 -3.544 6 HD13 ILE 131 HD13 ILE 131 101.510 -9.271 -3.875 No H/Q in entry = 6 In of MODEL 4 1 H SER 132 H SER 132 103.804 -10.076 -7.501 2 HA SER 132 HA SER 132 105.602 -12.184 -8.442 3 HB2 SER 132 HB2 SER 132 104.583 -12.592 -10.494 4 HB3 SER 132 HB3 SER 132 103.187 -12.447 -9.424 5 HG SER 132 HG SER 132 104.270 -10.550 -11.221 No H/Q in entry = 5 In of MODEL 4 1 H VAL 133 H VAL 133 107.081 -11.481 -10.049 2 HA VAL 133 HA VAL 133 107.329 -8.533 -10.332 3 HB VAL 133 HB VAL 133 109.564 -10.516 -9.816 No H/Q in entry = 3 In of MODEL 4 1 H LYS 134 H LYS 134 107.818 -7.859 -12.345 2 HA LYS 134 HA LYS 134 107.692 -9.662 -14.515 3 HB2 LYS 134 HB2 LYS 134 106.612 -7.517 -14.656 4 HB3 LYS 134 HB3 LYS 134 108.132 -6.749 -14.241 5 HG2 LYS 134 HG2 LYS 134 107.476 -6.653 -16.696 6 HG3 LYS 134 HG3 LYS 134 109.106 -7.192 -16.358 7 HD2 LYS 134 HD2 LYS 134 108.339 -9.547 -16.573 8 HD3 LYS 134 HD3 LYS 134 106.728 -8.965 -16.987 9 HE2 LYS 134 HE2 LYS 134 109.187 -8.080 -18.501 10 HE3 LYS 134 HE3 LYS 134 108.318 -9.556 -18.928 11 HZ1 LYS 134 HZ1 LYS 134 106.585 -7.303 -18.541 12 HZ2 LYS 134 HZ2 LYS 134 107.703 -7.062 -19.795 13 HZ3 LYS 134 HZ3 LYS 134 106.663 -8.403 -19.833 No H/Q in entry = 13 In of MODEL 4 1 H LYS 135 H LYS 135 109.849 -7.037 -14.379 2 HA LYS 135 HA LYS 135 112.100 -6.754 -14.463 3 HB2 LYS 135 HB2 LYS 135 111.992 -9.284 -13.396 4 HB3 LYS 135 HB3 LYS 135 112.912 -9.559 -14.866 5 HG2 LYS 135 HG2 LYS 135 113.568 -7.352 -12.915 6 HG3 LYS 135 HG3 LYS 135 114.214 -8.976 -12.771 7 HD2 LYS 135 HD2 LYS 135 114.484 -7.305 -15.269 8 HD3 LYS 135 HD3 LYS 135 115.706 -7.337 -14.012 9 HE2 LYS 135 HE2 LYS 135 115.296 -10.009 -14.492 10 HE3 LYS 135 HE3 LYS 135 115.097 -9.334 -16.090 11 HZ1 LYS 135 HZ1 LYS 135 117.217 -8.022 -15.463 12 HZ2 LYS 135 HZ2 LYS 135 117.449 -9.273 -14.337 13 HZ3 LYS 135 HZ3 LYS 135 117.346 -9.633 -15.992 No H/Q in entry = 13 In of MODEL 4 1 H SER 136 H SER 136 113.061 -6.019 -16.084 2 HA SER 136 HA SER 136 112.118 -6.087 -18.650 3 HB2 SER 136 HB2 SER 136 113.661 -4.441 -18.780 4 HB3 SER 136 HB3 SER 136 114.383 -5.000 -17.272 5 HG SER 136 HG SER 136 115.274 -5.243 -19.809 No H/Q in entry = 5 In of MODEL 4 1 H SER 137 H SER 137 113.584 -8.706 -17.157 2 HA SER 137 HA SER 137 113.519 -10.260 -19.532 3 HB2 SER 137 HB2 SER 137 116.001 -10.780 -19.570 4 HB3 SER 137 HB3 SER 137 115.542 -9.196 -20.179 5 HG SER 137 HG SER 137 117.253 -8.973 -18.749 No H/Q in entry = 5 In of MODEL 5 1 H1 PHE 1 H1 PHE 1 94.075 25.514 3.075 2 H2 PHE 1 H2 PHE 1 93.444 26.975 3.667 3 H3 PHE 1 H3 PHE 1 93.352 26.618 2.009 4 HA PHE 1 HA PHE 1 95.480 27.182 1.597 5 HB2 PHE 1 HB2 PHE 1 94.683 28.647 4.121 6 HB3 PHE 1 HB3 PHE 1 96.159 29.042 3.244 7 HD1 PHE 1 HD1 PHE 1 92.451 28.782 2.903 8 HD2 PHE 1 HD2 PHE 1 96.105 30.315 1.242 9 HE1 PHE 1 HE1 PHE 1 91.150 30.140 1.287 10 HE2 PHE 1 HE2 PHE 1 94.803 31.667 -0.375 11 HZ PHE 1 HZ PHE 1 92.326 31.578 -0.355 No H/Q in entry = 11 In of MODEL 5 1 H ASN 2 H ASN 2 97.561 27.996 3.334 2 HA ASN 2 HA ASN 2 98.832 25.538 3.820 3 HB2 ASN 2 HB2 ASN 2 99.587 28.267 4.843 4 HB3 ASN 2 HB3 ASN 2 100.628 26.849 4.824 5 HD21 ASN 2 HD21 ASN 2 99.917 25.824 2.227 6 HD22 ASN 2 HD22 ASN 2 100.484 26.926 1.068 No H/Q in entry = 6 In of MODEL 5 1 H LYS 3 H LYS 3 97.009 27.658 5.961 2 HA LYS 3 HA LYS 3 97.903 26.899 8.432 3 HB2 LYS 3 HB2 LYS 3 95.577 27.242 9.252 4 HB3 LYS 3 HB3 LYS 3 96.151 28.537 8.208 5 HG2 LYS 3 HG2 LYS 3 94.359 28.214 6.837 6 HG3 LYS 3 HG3 LYS 3 94.925 26.588 6.487 7 HD2 LYS 3 HD2 LYS 3 93.752 25.780 8.534 8 HD3 LYS 3 HD3 LYS 3 93.119 27.409 8.782 9 HE2 LYS 3 HE2 LYS 3 92.106 27.271 6.483 10 HE3 LYS 3 HE3 LYS 3 92.621 25.584 6.428 11 HZ1 LYS 3 HZ1 LYS 3 91.392 25.545 8.734 12 HZ2 LYS 3 HZ2 LYS 3 90.526 26.831 8.038 13 HZ3 LYS 3 HZ3 LYS 3 90.551 25.316 7.276 No H/Q in entry = 13 In of MODEL 5 1 H LYS 4 H LYS 4 95.708 25.039 6.337 2 HA LYS 4 HA LYS 4 95.285 22.948 8.231 3 HB2 LYS 4 HB2 LYS 4 93.998 23.629 6.009 4 HB3 LYS 4 HB3 LYS 4 95.079 22.445 5.279 5 HG2 LYS 4 HG2 LYS 4 93.294 21.906 7.672 6 HG3 LYS 4 HG3 LYS 4 92.890 21.491 6.014 7 HD2 LYS 4 HD2 LYS 4 95.161 20.199 6.026 8 HD3 LYS 4 HD3 LYS 4 95.027 20.332 7.781 9 HE2 LYS 4 HE2 LYS 4 92.763 19.315 7.683 10 HE3 LYS 4 HE3 LYS 4 92.953 19.100 5.946 11 HZ1 LYS 4 HZ1 LYS 4 95.079 17.859 6.590 12 HZ2 LYS 4 HZ2 LYS 4 94.392 17.765 8.142 13 HZ3 LYS 4 HZ3 LYS 4 93.591 17.077 6.809 No H/Q in entry = 13 In of MODEL 5 1 H ALA 5 H ALA 5 97.597 23.556 5.680 2 HA ALA 5 HA ALA 5 98.804 21.095 5.360 3 HB1 ALA 5 HB1 ALA 5 100.597 22.280 4.409 4 HB2 ALA 5 HB2 ALA 5 100.378 23.654 5.475 5 HB3 ALA 5 HB3 ALA 5 99.228 23.354 4.184 No H/Q in entry = 5 In of MODEL 5 1 H ASP 6 H ASP 6 99.165 23.453 7.871 2 HA ASP 6 HA ASP 6 101.472 22.457 9.104 3 HB2 ASP 6 HB2 ASP 6 99.102 23.919 10.192 4 HB3 ASP 6 HB3 ASP 6 100.538 23.555 11.136 No H/Q in entry = 4 In of MODEL 5 1 H GLU 7 H GLU 7 98.018 21.585 9.484 2 HA GLU 7 HA GLU 7 98.367 19.873 11.707 3 HB2 GLU 7 HB2 GLU 7 96.286 19.458 9.616 4 HB3 GLU 7 HB3 GLU 7 96.173 19.151 11.346 5 HG2 GLU 7 HG2 GLU 7 96.440 21.617 11.710 6 HG3 GLU 7 HG3 GLU 7 96.307 21.832 9.972 No H/Q in entry = 6 In of MODEL 5 1 H ASN 8 H ASN 8 98.179 19.207 8.276 2 HA ASN 8 HA ASN 8 98.577 16.396 8.437 3 HB2 ASN 8 HB2 ASN 8 99.386 18.245 6.200 4 HB3 ASN 8 HB3 ASN 8 99.054 16.522 6.086 5 HD21 ASN 8 HD21 ASN 8 97.528 17.880 4.396 6 HD22 ASN 8 HD22 ASN 8 95.953 18.095 4.974 No H/Q in entry = 6 In of MODEL 5 1 H LYS 9 H LYS 9 100.586 19.169 8.242 2 HA LYS 9 HA LYS 9 103.104 17.916 7.892 3 HB2 LYS 9 HB2 LYS 9 102.954 20.187 7.344 4 HB3 LYS 9 HB3 LYS 9 102.109 20.552 8.818 5 HG2 LYS 9 HG2 LYS 9 104.087 20.333 10.125 6 HG3 LYS 9 HG3 LYS 9 104.975 19.727 8.731 7 HD2 LYS 9 HD2 LYS 9 104.505 21.935 7.593 8 HD3 LYS 9 HD3 LYS 9 103.847 22.498 9.128 9 HE2 LYS 9 HE2 LYS 9 105.966 22.160 10.245 10 HE3 LYS 9 HE3 LYS 9 106.645 21.394 8.810 11 HZ1 LYS 9 HZ1 LYS 9 105.534 24.075 8.495 12 HZ2 LYS 9 HZ2 LYS 9 107.005 23.941 9.336 13 HZ3 LYS 9 HZ3 LYS 9 106.882 23.360 7.749 No H/Q in entry = 13 In of MODEL 5 1 H VAL 10 H VAL 10 101.506 19.208 10.844 2 HA VAL 10 HA VAL 10 103.595 18.335 12.556 3 HB VAL 10 HB VAL 10 100.753 19.143 13.134 No H/Q in entry = 3 In of MODEL 5 1 H LYS 11 H LYS 11 100.420 16.925 11.784 2 HA LYS 11 HA LYS 11 100.683 14.728 13.509 3 HB2 LYS 11 HB2 LYS 11 99.063 15.213 11.051 4 HB3 LYS 11 HB3 LYS 11 99.117 13.626 11.777 5 HG2 LYS 11 HG2 LYS 11 97.203 14.753 12.691 6 HG3 LYS 11 HG3 LYS 11 98.417 14.608 13.948 7 HD2 LYS 11 HD2 LYS 11 99.120 17.032 13.042 8 HD3 LYS 11 HD3 LYS 11 97.462 17.055 12.490 9 HE2 LYS 11 HE2 LYS 11 97.856 18.026 14.780 10 HE3 LYS 11 HE3 LYS 11 96.637 16.754 14.735 11 HZ1 LYS 11 HZ1 LYS 11 99.398 15.952 15.217 12 HZ2 LYS 11 HZ2 LYS 11 98.630 16.800 16.468 13 HZ3 LYS 11 HZ3 LYS 11 97.958 15.349 15.891 No H/Q in entry = 13 In of MODEL 5 1 H GLY 12 H GLY 12 101.650 15.406 10.234 2 HA2 GLY 12 HA2 GLY 12 102.948 14.243 8.708 3 HA3 GLY 12 HA3 GLY 12 102.629 12.796 9.633 No H/Q in entry = 3 In of MODEL 5 1 H GLU 13 H GLU 13 104.254 15.798 10.660 2 HA GLU 13 HA GLU 13 106.887 14.773 10.500 3 HB2 GLU 13 HB2 GLU 13 105.646 16.933 12.201 4 HB3 GLU 13 HB3 GLU 13 107.340 16.495 12.380 5 HG2 GLU 13 HG2 GLU 13 107.739 16.972 10.015 6 HG3 GLU 13 HG3 GLU 13 106.047 17.393 9.799 No H/Q in entry = 6 In of MODEL 5 1 H ALA 14 H ALA 14 104.365 14.530 12.858 2 HA ALA 14 HA ALA 14 105.923 13.320 14.904 3 HB1 ALA 14 HB1 ALA 14 103.797 14.610 15.276 4 HB2 ALA 14 HB2 ALA 14 102.925 13.256 14.555 5 HB3 ALA 14 HB3 ALA 14 103.827 13.027 16.049 No H/Q in entry = 5 In of MODEL 5 1 H PHE 15 H PHE 15 103.858 12.281 12.302 2 HA PHE 15 HA PHE 15 103.549 9.566 12.922 3 HB2 PHE 15 HB2 PHE 15 102.315 10.923 11.224 4 HB3 PHE 15 HB3 PHE 15 103.752 10.889 10.218 5 HD1 PHE 15 HD1 PHE 15 104.255 9.041 8.874 6 HD2 PHE 15 HD2 PHE 15 101.180 8.770 11.845 7 HE1 PHE 15 HE1 PHE 15 103.455 6.927 7.861 8 HE2 PHE 15 HE2 PHE 15 100.412 6.627 10.868 9 HZ PHE 15 HZ PHE 15 101.553 5.711 8.870 No H/Q in entry = 9 In of MODEL 5 1 H LEU 16 H LEU 16 105.968 11.179 10.851 2 HA LEU 16 HA LEU 16 107.387 8.740 10.336 3 HB2 LEU 16 HB2 LEU 16 108.214 11.636 10.058 4 HB3 LEU 16 HB3 LEU 16 109.268 10.297 9.648 5 HG LEU 16 HG LEU 16 107.175 9.513 8.191 6 HD11 LEU 16 HD11 LEU 16 106.705 12.464 8.643 7 HD12 LEU 16 HD12 LEU 16 106.243 11.713 7.120 8 HD13 LEU 16 HD13 LEU 16 105.534 11.149 8.636 9 HD21 LEU 16 HD21 LEU 16 109.265 11.579 7.556 10 HD22 LEU 16 HD22 LEU 16 109.236 9.865 7.167 11 HD23 LEU 16 HD23 LEU 16 108.168 10.972 6.319 No H/Q in entry = 11 In of MODEL 5 1 H THR 17 H THR 17 107.634 11.313 12.677 2 HA THR 17 HA THR 17 110.082 10.545 13.838 3 HB THR 17 HB THR 17 107.735 11.837 15.228 4 HG1 THR 17 HG1 THR 17 108.175 13.356 13.850 5 HG21 THR 17 HG21 THR 17 110.679 11.656 15.827 6 HG22 THR 17 HG22 THR 17 109.590 12.810 16.599 7 HG23 THR 17 HG23 THR 17 109.336 11.084 16.819 No H/Q in entry = 7 In of MODEL 5 1 H GLU 18 H GLU 18 106.749 9.600 14.517 2 HA GLU 18 HA GLU 18 107.476 7.857 16.637 3 HB2 GLU 18 HB2 GLU 18 105.285 8.986 16.558 4 HB3 GLU 18 HB3 GLU 18 104.887 8.037 15.132 5 HG2 GLU 18 HG2 GLU 18 105.096 5.961 16.394 6 HG3 GLU 18 HG3 GLU 18 105.596 6.857 17.827 No H/Q in entry = 6 In of MODEL 5 1 H ASN 19 H ASN 19 106.479 7.397 13.262 2 HA ASN 19 HA ASN 19 106.356 4.606 13.308 3 HB2 ASN 19 HB2 ASN 19 105.502 5.999 11.475 4 HB3 ASN 19 HB3 ASN 19 107.158 6.319 10.974 5 HD21 ASN 19 HD21 ASN 19 107.626 5.019 9.220 6 HD22 ASN 19 HD22 ASN 19 107.189 3.390 9.080 No H/Q in entry = 6 In of MODEL 5 1 H LYS 20 H LYS 20 109.150 6.634 12.496 2 HA LYS 20 HA LYS 20 110.819 4.513 11.724 3 HB2 LYS 20 HB2 LYS 20 112.698 5.997 12.247 4 HB3 LYS 20 HB3 LYS 20 111.447 6.854 11.360 5 HG2 LYS 20 HG2 LYS 20 110.549 7.552 13.682 6 HG3 LYS 20 HG3 LYS 20 112.096 6.983 14.306 7 HD2 LYS 20 HD2 LYS 20 111.833 9.039 12.090 8 HD3 LYS 20 HD3 LYS 20 112.076 9.447 13.791 9 HE2 LYS 20 HE2 LYS 20 114.142 7.949 13.714 10 HE3 LYS 20 HE3 LYS 20 113.946 7.963 11.967 11 HZ1 LYS 20 HZ1 LYS 20 113.772 10.533 12.403 12 HZ2 LYS 20 HZ2 LYS 20 114.712 10.131 13.755 13 HZ3 LYS 20 HZ3 LYS 20 115.270 9.761 12.192 No H/Q in entry = 13 In of MODEL 5 1 H ASN 21 H ASN 21 109.866 5.710 14.856 2 HA ASN 21 HA ASN 21 111.791 4.118 16.310 3 HB2 ASN 21 HB2 ASN 21 109.571 5.986 17.032 4 HB3 ASN 21 HB3 ASN 21 110.202 4.902 18.261 5 HD21 ASN 21 HD21 ASN 21 110.891 7.776 16.379 6 HD22 ASN 21 HD22 ASN 21 112.384 8.120 17.111 No H/Q in entry = 6 In of MODEL 5 1 H LYS 22 H LYS 22 108.501 3.733 15.214 2 HA LYS 22 HA LYS 22 107.684 1.813 17.012 3 HB2 LYS 22 HB2 LYS 22 106.926 2.381 14.190 4 HB3 LYS 22 HB3 LYS 22 106.180 1.047 15.052 5 HG2 LYS 22 HG2 LYS 22 105.823 2.991 16.915 6 HG3 LYS 22 HG3 LYS 22 105.878 3.993 15.481 7 HD2 LYS 22 HD2 LYS 22 104.054 1.596 15.788 8 HD3 LYS 22 HD3 LYS 22 103.565 3.261 16.100 9 HE2 LYS 22 HE2 LYS 22 104.065 3.890 13.805 10 HE3 LYS 22 HE3 LYS 22 104.704 2.278 13.477 11 HZ1 LYS 22 HZ1 LYS 22 102.160 1.948 14.541 12 HZ2 LYS 22 HZ2 LYS 22 102.029 3.164 13.366 13 HZ3 LYS 22 HZ3 LYS 22 102.667 1.645 12.948 No H/Q in entry = 13 In of MODEL 5 1 HA PRO 23 HA PRO 23 110.106 -1.832 16.220 2 HB2 PRO 23 HB2 PRO 23 107.601 -3.440 16.379 3 HB3 PRO 23 HB3 PRO 23 109.104 -3.595 17.306 4 HG2 PRO 23 HG2 PRO 23 106.891 -2.561 18.386 5 HG3 PRO 23 HG3 PRO 23 108.508 -1.962 18.801 6 HD2 PRO 23 HD2 PRO 23 106.425 -0.694 17.059 7 HD3 PRO 23 HD3 PRO 23 107.622 0.047 18.144 No H/Q in entry = 7 In of MODEL 5 1 H GLY 24 H GLY 24 110.665 -3.261 14.609 2 HA2 GLY 24 HA2 GLY 24 108.919 -4.061 12.495 3 HA3 GLY 24 HA3 GLY 24 110.644 -4.385 12.603 No H/Q in entry = 3 In of MODEL 5 1 H VAL 25 H VAL 25 109.696 -1.086 12.885 2 HA VAL 25 HA VAL 25 109.864 -0.562 10.030 3 HB VAL 25 HB VAL 25 109.787 1.372 12.358 No H/Q in entry = 3 In of MODEL 5 1 H VAL 26 H VAL 26 111.597 0.155 8.952 2 HA VAL 26 HA VAL 26 114.069 0.832 10.459 3 HB VAL 26 HB VAL 26 113.760 -0.723 7.881 No H/Q in entry = 3 In of MODEL 5 1 H VAL 27 H VAL 27 114.624 2.899 10.137 2 HA VAL 27 HA VAL 27 113.399 4.337 7.927 3 HB VAL 27 HB VAL 27 113.157 5.350 10.119 No H/Q in entry = 3 In of MODEL 5 1 H LEU 28 H LEU 28 114.380 5.559 6.445 2 HA LEU 28 HA LEU 28 117.227 4.890 6.006 3 HB2 LEU 28 HB2 LEU 28 115.084 5.585 3.996 4 HB3 LEU 28 HB3 LEU 28 116.749 5.270 3.598 5 HG LEU 28 HG LEU 28 114.884 3.283 4.900 6 HD11 LEU 28 HD11 LEU 28 114.473 3.958 2.464 7 HD12 LEU 28 HD12 LEU 28 116.043 3.266 2.114 8 HD13 LEU 28 HD13 LEU 28 114.759 2.246 2.748 9 HD21 LEU 28 HD21 LEU 28 117.780 3.196 4.024 10 HD22 LEU 28 HD22 LEU 28 117.102 2.719 5.578 11 HD23 LEU 28 HD23 LEU 28 116.811 1.734 4.153 No H/Q in entry = 11 In of MODEL 5 1 HA PRO 29 HA PRO 29 118.399 9.097 6.090 2 HB2 PRO 29 HB2 PRO 29 119.652 8.894 3.406 3 HB3 PRO 29 HB3 PRO 29 120.390 9.347 4.953 4 HG2 PRO 29 HG2 PRO 29 120.861 6.979 3.867 5 HG3 PRO 29 HG3 PRO 29 120.643 7.137 5.621 6 HD2 PRO 29 HD2 PRO 29 118.701 6.184 3.554 7 HD3 PRO 29 HD3 PRO 29 119.031 5.514 5.160 No H/Q in entry = 7 In of MODEL 5 1 H SER 30 H SER 30 116.911 7.953 3.130 2 HA SER 30 HA SER 30 116.225 10.501 2.073 3 HB2 SER 30 HB2 SER 30 114.757 7.906 1.558 4 HB3 SER 30 HB3 SER 30 114.890 9.309 0.496 5 HG SER 30 HG SER 30 116.806 7.359 1.160 No H/Q in entry = 5 In of MODEL 5 1 H GLY 31 H GLY 31 115.150 8.753 4.712 2 HA2 GLY 31 HA2 GLY 31 112.850 10.524 5.083 3 HA3 GLY 31 HA3 GLY 31 113.596 9.513 6.311 No H/Q in entry = 3 In of MODEL 5 1 H LEU 32 H LEU 32 113.373 7.681 3.581 2 HA LEU 32 HA LEU 32 110.605 6.931 3.818 3 HB2 LEU 32 HB2 LEU 32 111.785 6.841 1.643 4 HB3 LEU 32 HB3 LEU 32 112.864 5.622 2.273 5 HG LEU 32 HG LEU 32 110.906 4.861 0.778 6 HD11 LEU 32 HD11 LEU 32 112.286 3.369 2.220 7 HD12 LEU 32 HD12 LEU 32 111.035 3.479 3.436 8 HD13 LEU 32 HD13 LEU 32 110.671 2.785 1.870 9 HD21 LEU 32 HD21 LEU 32 109.217 6.235 1.940 10 HD22 LEU 32 HD22 LEU 32 108.753 4.550 1.803 11 HD23 LEU 32 HD23 LEU 32 109.321 5.176 3.340 No H/Q in entry = 11 In of MODEL 5 1 H GLN 33 H GLN 33 109.811 5.276 5.015 2 HA GLN 33 HA GLN 33 111.727 3.575 6.506 3 HB2 GLN 33 HB2 GLN 33 109.072 4.712 7.368 4 HB3 GLN 33 HB3 GLN 33 110.031 3.584 8.298 5 HG2 GLN 33 HG2 GLN 33 111.020 5.414 9.206 6 HG3 GLN 33 HG3 GLN 33 111.843 5.564 7.680 7 HE21 GLN 33 HE21 GLN 33 111.445 7.821 9.176 8 HE22 GLN 33 HE22 GLN 33 110.334 8.793 8.353 No H/Q in entry = 8 In of MODEL 5 1 H TYR 34 H TYR 34 111.359 1.409 6.548 2 HA TYR 34 HA TYR 34 108.796 0.438 5.503 3 HB2 TYR 34 HB2 TYR 34 109.867 -1.277 4.174 4 HB3 TYR 34 HB3 TYR 34 110.373 0.315 3.632 5 HD1 TYR 34 HD1 TYR 34 111.355 -2.549 5.762 6 HD2 TYR 34 HD2 TYR 34 112.679 0.927 3.632 7 HE1 TYR 34 HE1 TYR 34 113.712 -3.234 6.122 8 HE2 TYR 34 HE2 TYR 34 115.036 0.249 3.995 9 HH TYR 34 HH TYR 34 116.322 -1.144 5.601 No H/Q in entry = 9 In of MODEL 5 1 H LYS 35 H LYS 35 108.048 -1.429 6.233 2 HA LYS 35 HA LYS 35 109.535 -2.695 8.424 3 HB2 LYS 35 HB2 LYS 35 107.783 -1.179 9.281 4 HB3 LYS 35 HB3 LYS 35 106.570 -2.070 8.399 5 HG2 LYS 35 HG2 LYS 35 108.322 -3.711 10.089 6 HG3 LYS 35 HG3 LYS 35 107.338 -2.582 10.994 7 HD2 LYS 35 HD2 LYS 35 105.334 -3.450 9.836 8 HD3 LYS 35 HD3 LYS 35 106.353 -4.620 8.996 9 HE2 LYS 35 HE2 LYS 35 105.291 -5.598 11.005 10 HE3 LYS 35 HE3 LYS 35 107.041 -5.585 11.118 11 HZ1 LYS 35 HZ1 LYS 35 105.911 -3.179 12.128 12 HZ2 LYS 35 HZ2 LYS 35 105.283 -4.535 12.931 13 HZ3 LYS 35 HZ3 LYS 35 106.961 -4.282 12.884 No H/Q in entry = 13 In of MODEL 5 1 H VAL 36 H VAL 36 109.523 -4.816 8.410 2 HA VAL 36 HA VAL 36 108.257 -6.116 6.105 3 HB VAL 36 HB VAL 36 110.579 -6.550 6.347 No H/Q in entry = 3 In of MODEL 5 1 H ILE 37 H ILE 37 106.238 -6.646 6.412 2 HA ILE 37 HA ILE 37 105.147 -7.542 8.915 3 HB ILE 37 HB ILE 37 103.936 -8.069 6.198 4 HD11 ILE 37 HD11 ILE 37 104.277 -5.607 8.874 5 HD12 ILE 37 HD12 ILE 37 104.156 -4.184 7.874 6 HD13 ILE 37 HD13 ILE 37 102.705 -5.058 8.356 No H/Q in entry = 6 In of MODEL 5 1 H ASN 38 H ASN 38 106.227 -9.050 5.943 2 HA ASN 38 HA ASN 38 106.521 -11.624 7.323 3 HB2 ASN 38 HB2 ASN 38 104.979 -11.164 4.791 4 HB3 ASN 38 HB3 ASN 38 105.489 -12.736 5.330 5 HD21 ASN 38 HD21 ASN 38 103.334 -10.024 6.112 6 HD22 ASN 38 HD22 ASN 38 102.395 -10.877 7.240 No H/Q in entry = 6 In of MODEL 5 1 H SER 39 H SER 39 108.463 -12.473 6.859 2 HA SER 39 HA SER 39 110.091 -11.295 4.753 3 HB2 SER 39 HB2 SER 39 111.902 -12.402 5.702 4 HB3 SER 39 HB3 SER 39 110.912 -11.977 7.094 5 HG SER 39 HG SER 39 111.724 -14.369 6.357 No H/Q in entry = 5 In of MODEL 5 1 H GLY 40 H GLY 40 110.312 -12.094 2.788 2 HA2 GLY 40 HA2 GLY 40 109.258 -13.510 1.097 3 HA3 GLY 40 HA3 GLY 40 109.419 -14.855 2.219 No H/Q in entry = 3 In of MODEL 5 1 H ASN 41 H ASN 41 111.790 -12.339 1.595 2 HA ASN 41 HA ASN 41 113.922 -12.379 0.758 3 HB2 ASN 41 HB2 ASN 41 113.824 -15.269 1.616 4 HB3 ASN 41 HB3 ASN 41 115.271 -14.292 1.362 5 HD21 ASN 41 HD21 ASN 41 112.955 -12.238 2.645 6 HD22 ASN 41 HD22 ASN 41 113.361 -12.372 4.290 No H/Q in entry = 6 In of MODEL 5 1 H GLY 42 H GLY 42 111.679 -13.016 -1.050 2 HA2 GLY 42 HA2 GLY 42 111.238 -14.146 -3.053 3 HA3 GLY 42 HA3 GLY 42 112.792 -14.950 -2.927 No H/Q in entry = 3 In of MODEL 5 1 H VAL 43 H VAL 43 111.791 -13.840 -5.228 2 HA VAL 43 HA VAL 43 113.943 -12.173 -6.046 3 HB VAL 43 HB VAL 43 112.900 -12.162 -8.224 No H/Q in entry = 3 In of MODEL 5 1 H LYS 44 H LYS 44 113.140 -10.226 -7.513 2 HA LYS 44 HA LYS 44 111.029 -8.609 -6.806 3 HB2 LYS 44 HB2 LYS 44 111.810 -7.012 -5.230 4 HB3 LYS 44 HB3 LYS 44 112.114 -8.569 -4.533 5 HG2 LYS 44 HG2 LYS 44 114.342 -7.313 -6.104 6 HG3 LYS 44 HG3 LYS 44 113.964 -6.643 -4.531 7 HD2 LYS 44 HD2 LYS 44 114.203 -9.623 -4.677 8 HD3 LYS 44 HD3 LYS 44 115.692 -8.699 -4.837 9 HE2 LYS 44 HE2 LYS 44 115.453 -7.749 -2.672 10 HE3 LYS 44 HE3 LYS 44 113.750 -8.162 -2.573 11 HZ1 LYS 44 HZ1 LYS 44 115.813 -10.250 -2.857 12 HZ2 LYS 44 HZ2 LYS 44 115.433 -9.608 -1.332 13 HZ3 LYS 44 HZ3 LYS 44 114.238 -10.389 -2.252 No H/Q in entry = 13 In of MODEL 5 1 HA PRO 45 HA PRO 45 112.855 -6.528 -10.202 2 HB2 PRO 45 HB2 PRO 45 111.286 -4.304 -10.324 3 HB3 PRO 45 HB3 PRO 45 110.704 -5.921 -10.706 4 HG2 PRO 45 HG2 PRO 45 110.130 -4.224 -8.377 5 HG3 PRO 45 HG3 PRO 45 109.258 -5.619 -9.014 6 HD2 PRO 45 HD2 PRO 45 111.062 -5.559 -6.776 7 HD3 PRO 45 HD3 PRO 45 110.100 -6.926 -7.400 No H/Q in entry = 7 In of MODEL 5 1 H GLY 46 H GLY 46 113.924 -4.697 -11.064 2 HA2 GLY 46 HA2 GLY 46 115.816 -3.279 -10.765 3 HA3 GLY 46 HA3 GLY 46 115.384 -3.126 -9.057 No H/Q in entry = 3 In of MODEL 5 1 H LYS 47 H LYS 47 115.765 -0.888 -9.795 2 HA LYS 47 HA LYS 47 113.558 0.689 -9.695 3 HB2 LYS 47 HB2 LYS 47 114.967 2.509 -10.482 4 HB3 LYS 47 HB3 LYS 47 115.895 1.459 -9.413 5 HG2 LYS 47 HG2 LYS 47 115.945 1.318 -12.460 6 HG3 LYS 47 HG3 LYS 47 117.198 2.047 -11.459 7 HD2 LYS 47 HD2 LYS 47 117.318 -0.262 -10.285 8 HD3 LYS 47 HD3 LYS 47 116.427 -0.861 -11.677 9 HE2 LYS 47 HE2 LYS 47 118.677 -1.224 -12.126 10 HE3 LYS 47 HE3 LYS 47 118.220 0.161 -13.120 11 HZ1 LYS 47 HZ1 LYS 47 119.294 0.595 -10.416 12 HZ2 LYS 47 HZ2 LYS 47 120.370 0.264 -11.689 13 HZ3 LYS 47 HZ3 LYS 47 119.353 1.620 -11.769 No H/Q in entry = 13 In of MODEL 5 1 H SER 48 H SER 48 114.829 -0.993 -12.427 2 HA SER 48 HA SER 48 113.019 0.520 -14.234 3 HB2 SER 48 HB2 SER 48 115.501 -1.107 -14.696 4 HB3 SER 48 HB3 SER 48 114.450 -0.612 -16.022 5 HG SER 48 HG SER 48 114.813 1.501 -14.500 No H/Q in entry = 5 In of MODEL 5 1 H ASP 49 H ASP 49 113.127 -2.524 -12.641 2 HA ASP 49 HA ASP 49 111.717 -3.903 -14.829 3 HB2 ASP 49 HB2 ASP 49 112.515 -4.749 -12.074 4 HB3 ASP 49 HB3 ASP 49 111.487 -5.736 -13.076 No H/Q in entry = 4 In of MODEL 5 1 H THR 50 H THR 50 109.569 -4.969 -14.298 2 HA THR 50 HA THR 50 107.883 -2.979 -12.912 3 HB THR 50 HB THR 50 106.887 -5.018 -14.874 4 HG1 THR 50 HG1 THR 50 106.915 -3.092 -16.282 5 HG21 THR 50 HG21 THR 50 105.801 -2.481 -13.731 6 HG22 THR 50 HG22 THR 50 105.125 -3.258 -15.152 7 HG23 THR 50 HG23 THR 50 105.128 -4.112 -13.611 No H/Q in entry = 7 In of MODEL 5 1 H VAL 51 H VAL 51 106.340 -3.589 -11.443 2 HA VAL 51 HA VAL 51 106.750 -6.302 -10.313 3 HB VAL 51 HB VAL 51 107.769 -4.303 -9.134 No H/Q in entry = 3 In of MODEL 5 1 H THR 52 H THR 52 105.029 -7.146 -8.991 2 HA THR 52 HA THR 52 102.338 -6.027 -9.635 3 HB THR 52 HB THR 52 103.151 -8.938 -9.532 4 HG1 THR 52 HG1 THR 52 103.261 -8.838 -11.630 5 HG21 THR 52 HG21 THR 52 100.527 -7.530 -9.836 6 HG22 THR 52 HG22 THR 52 100.783 -9.115 -10.551 7 HG23 THR 52 HG23 THR 52 100.944 -8.916 -8.821 No H/Q in entry = 7 In of MODEL 5 1 H VAL 53 H VAL 53 101.379 -5.426 -7.739 2 HA VAL 53 HA VAL 53 101.760 -7.098 -5.322 3 HB VAL 53 HB VAL 53 102.509 -5.227 -4.006 No H/Q in entry = 3 In of MODEL 5 1 H GLU 54 H GLU 54 100.392 -6.411 -3.459 2 HA GLU 54 HA GLU 54 97.935 -4.926 -4.286 3 HB2 GLU 54 HB2 GLU 54 97.897 -6.957 -2.033 4 HB3 GLU 54 HB3 GLU 54 96.575 -6.233 -2.924 5 HG2 GLU 54 HG2 GLU 54 96.709 -7.680 -4.658 6 HG3 GLU 54 HG3 GLU 54 98.424 -7.903 -4.531 No H/Q in entry = 6 In of MODEL 5 1 H TYR 55 H TYR 55 97.113 -3.445 -2.568 2 HA TYR 55 HA TYR 55 98.697 -3.220 -0.154 3 HB2 TYR 55 HB2 TYR 55 99.488 -0.913 -0.811 4 HB3 TYR 55 HB3 TYR 55 100.204 -2.223 -1.759 5 HD1 TYR 55 HD1 TYR 55 97.603 0.421 -1.758 6 HD2 TYR 55 HD2 TYR 55 99.656 -2.545 -4.074 7 HE1 TYR 55 HE1 TYR 55 96.590 1.340 -3.819 8 HE2 TYR 55 HE2 TYR 55 98.630 -1.635 -6.128 9 HH TYR 55 HH TYR 55 96.363 -0.229 -6.604 No H/Q in entry = 9 In of MODEL 5 1 H THR 56 H THR 56 98.116 -1.437 1.244 2 HA THR 56 HA THR 56 95.554 -0.161 0.637 3 HB THR 56 HB THR 56 96.272 -1.515 3.185 4 HG1 THR 56 HG1 THR 56 94.442 -1.729 1.213 5 HG21 THR 56 HG21 THR 56 94.290 0.747 2.825 6 HG22 THR 56 HG22 THR 56 94.353 -0.303 4.239 7 HG23 THR 56 HG23 THR 56 95.703 0.768 3.875 No H/Q in entry = 7 In of MODEL 5 1 H GLY 57 H GLY 57 95.580 1.973 0.682 2 HA2 GLY 57 HA2 GLY 57 97.102 3.888 0.520 3 HA3 GLY 57 HA3 GLY 57 97.975 3.250 1.907 No H/Q in entry = 3 In of MODEL 5 1 H ARG 58 H ARG 58 97.747 4.827 3.438 2 HA ARG 58 HA ARG 58 95.157 6.091 3.763 3 HB2 ARG 58 HB2 ARG 58 94.760 5.486 5.975 4 HB3 ARG 58 HB3 ARG 58 95.208 3.978 5.191 5 HG2 ARG 58 HG2 ARG 58 97.453 4.080 6.097 6 HG3 ARG 58 HG3 ARG 58 97.193 5.693 6.744 7 HD2 ARG 58 HD2 ARG 58 96.836 4.437 8.636 8 HD3 ARG 58 HD3 ARG 58 95.201 4.524 8.013 9 HE ARG 58 HE ARG 58 96.984 2.215 7.461 10 HH11 ARG 58 HH11 ARG 58 93.874 3.518 8.356 11 HH12 ARG 58 HH12 ARG 58 93.132 1.964 8.489 12 HH21 ARG 58 HH21 ARG 58 95.992 0.208 7.649 13 HH22 ARG 58 HH22 ARG 58 94.323 0.096 8.098 No H/Q in entry = 13 In of MODEL 5 1 H LEU 59 H LEU 59 95.136 7.732 5.420 2 HA LEU 59 HA LEU 59 97.477 9.439 5.205 3 HB2 LEU 59 HB2 LEU 59 94.646 9.683 5.973 4 HB3 LEU 59 HB3 LEU 59 95.697 10.751 6.864 5 HG LEU 59 HG LEU 59 96.628 11.408 4.511 6 HD11 LEU 59 HD11 LEU 59 93.947 10.241 3.791 7 HD12 LEU 59 HD12 LEU 59 94.912 11.246 2.757 8 HD13 LEU 59 HD13 LEU 59 95.494 9.667 3.241 9 HD21 LEU 59 HD21 LEU 59 95.168 12.812 6.062 10 HD22 LEU 59 HD22 LEU 59 95.061 13.191 4.353 11 HD23 LEU 59 HD23 LEU 59 93.794 12.262 5.120 No H/Q in entry = 11 In of MODEL 5 1 H ILE 60 H ILE 60 98.289 10.543 7.127 2 HA ILE 60 HA ILE 60 99.258 8.783 9.114 3 HB ILE 60 HB ILE 60 100.176 10.700 10.153 4 HD11 ILE 60 HD11 ILE 60 98.758 12.751 7.386 5 HD12 ILE 60 HD12 ILE 60 97.327 11.923 7.995 6 HD13 ILE 60 HD13 ILE 60 97.599 13.595 8.412 No H/Q in entry = 6 In of MODEL 5 1 H ASP 61 H ASP 61 96.430 10.601 8.781 2 HA ASP 61 HA ASP 61 95.654 10.487 11.589 3 HB2 ASP 61 HB2 ASP 61 95.366 12.510 10.090 4 HB3 ASP 61 HB3 ASP 61 94.095 11.604 9.261 No H/Q in entry = 4 In of MODEL 5 1 H GLY 62 H GLY 62 95.554 8.325 9.137 2 HA2 GLY 62 HA2 GLY 62 93.286 6.921 10.336 3 HA3 GLY 62 HA3 GLY 62 94.477 6.252 9.252 No H/Q in entry = 3 In of MODEL 5 1 H THR 63 H THR 63 93.422 9.169 7.941 2 HA THR 63 HA THR 63 90.923 8.296 6.822 3 HB THR 63 HB THR 63 92.707 10.393 5.611 4 HG1 THR 63 HG1 THR 63 91.615 11.821 7.050 5 HG21 THR 63 HG21 THR 63 90.553 9.550 4.520 6 HG22 THR 63 HG22 THR 63 89.725 10.331 5.857 7 HG23 THR 63 HG23 THR 63 90.707 11.290 4.752 No H/Q in entry = 7 In of MODEL 5 1 H VAL 64 H VAL 64 90.906 6.479 5.639 2 HA VAL 64 HA VAL 64 93.068 5.736 3.918 3 HB VAL 64 HB VAL 64 90.298 4.592 4.157 No H/Q in entry = 3 In of MODEL 5 1 H PHE 65 H PHE 65 93.522 6.429 2.015 2 HA PHE 65 HA PHE 65 91.368 7.726 0.450 3 HB2 PHE 65 HB2 PHE 65 93.016 9.095 -0.575 4 HB3 PHE 65 HB3 PHE 65 93.292 9.143 1.162 5 HD1 PHE 65 HD1 PHE 65 95.057 7.690 2.160 6 HD2 PHE 65 HD2 PHE 65 94.768 8.360 -2.062 7 HE1 PHE 65 HE1 PHE 65 97.449 7.080 1.900 8 HE2 PHE 65 HE2 PHE 65 97.162 7.748 -2.315 9 HZ PHE 65 HZ PHE 65 98.491 7.131 -0.324 No H/Q in entry = 9 In of MODEL 5 1 H ASP 66 H ASP 66 93.474 5.066 0.524 2 HA ASP 66 HA ASP 66 92.486 4.198 -2.058 3 HB2 ASP 66 HB2 ASP 66 94.535 5.583 -2.544 4 HB3 ASP 66 HB3 ASP 66 95.473 4.398 -1.640 No H/Q in entry = 4 In of MODEL 5 1 H SER 67 H SER 67 92.614 1.974 -2.370 2 HA SER 67 HA SER 67 94.035 0.341 -0.472 3 HB2 SER 67 HB2 SER 67 92.127 -0.815 0.411 4 HB3 SER 67 HB3 SER 67 91.974 0.906 0.739 5 HG SER 67 HG SER 67 90.384 -0.720 -0.734 No H/Q in entry = 5 In of MODEL 5 1 H THR 68 H THR 68 94.174 -1.875 -1.007 2 HA THR 68 HA THR 68 92.920 -2.793 -3.475 3 HB THR 68 HB THR 68 95.922 -2.478 -3.313 4 HG1 THR 68 HG1 THR 68 94.249 -1.336 -5.243 5 HG21 THR 68 HG21 THR 68 94.095 -3.674 -5.398 6 HG22 THR 68 HG22 THR 68 95.773 -3.239 -5.707 7 HG23 THR 68 HG23 THR 68 95.394 -4.483 -4.526 No H/Q in entry = 7 In of MODEL 5 1 H GLU 69 H GLU 69 95.264 -3.360 -0.902 2 HA GLU 69 HA GLU 69 95.435 -6.159 -1.279 3 HB2 GLU 69 HB2 GLU 69 96.415 -6.224 0.948 4 HB3 GLU 69 HB3 GLU 69 97.142 -5.012 -0.092 5 HG2 GLU 69 HG2 GLU 69 96.868 -3.873 1.908 6 HG3 GLU 69 HG3 GLU 69 95.513 -3.378 0.921 No H/Q in entry = 6 In of MODEL 5 1 H LYS 70 H LYS 70 93.131 -4.118 0.255 2 HA LYS 70 HA LYS 70 91.895 -5.943 1.958 3 HB2 LYS 70 HB2 LYS 70 90.693 -3.702 0.339 4 HB3 LYS 70 HB3 LYS 70 89.882 -4.517 1.679 5 HG2 LYS 70 HG2 LYS 70 92.560 -3.161 1.905 6 HG3 LYS 70 HG3 LYS 70 91.045 -2.348 2.286 7 HD2 LYS 70 HD2 LYS 70 90.623 -4.358 3.891 8 HD3 LYS 70 HD3 LYS 70 92.346 -4.679 3.706 9 HE2 LYS 70 HE2 LYS 70 92.909 -2.468 4.481 10 HE3 LYS 70 HE3 LYS 70 91.205 -2.027 4.598 11 HZ1 LYS 70 HZ1 LYS 70 91.402 -4.340 6.023 12 HZ2 LYS 70 HZ2 LYS 70 92.834 -3.516 6.420 13 HZ3 LYS 70 HZ3 LYS 70 91.325 -2.777 6.676 No H/Q in entry = 13 In of MODEL 5 1 H THR 71 H THR 71 91.607 -5.307 -1.452 2 HA THR 71 HA THR 71 89.613 -7.368 -1.891 3 HB THR 71 HB THR 71 90.140 -6.818 -4.337 4 HG1 THR 71 HG1 THR 71 91.788 -5.601 -4.644 5 HG21 THR 71 HG21 THR 71 89.065 -4.835 -2.341 6 HG22 THR 71 HG22 THR 71 89.114 -4.447 -4.061 7 HG23 THR 71 HG23 THR 71 88.177 -5.831 -3.496 No H/Q in entry = 7 In of MODEL 5 1 H GLY 72 H GLY 72 93.046 -6.936 -1.916 2 HA2 GLY 72 HA2 GLY 72 93.535 -9.748 -2.049 3 HA3 GLY 72 HA3 GLY 72 94.745 -8.480 -1.910 No H/Q in entry = 3 In of MODEL 5 1 H LYS 73 H LYS 73 93.309 -7.236 -4.349 2 HA LYS 73 HA LYS 73 94.239 -9.072 -6.441 3 HB2 LYS 73 HB2 LYS 73 92.307 -6.822 -6.282 4 HB3 LYS 73 HB3 LYS 73 93.139 -6.995 -7.823 5 HG2 LYS 73 HG2 LYS 73 91.251 -8.305 -8.148 6 HG3 LYS 73 HG3 LYS 73 92.423 -9.514 -7.653 7 HD2 LYS 73 HD2 LYS 73 91.523 -8.974 -5.223 8 HD3 LYS 73 HD3 LYS 73 90.129 -8.343 -6.094 9 HE2 LYS 73 HE2 LYS 73 89.856 -10.712 -5.437 10 HE3 LYS 73 HE3 LYS 73 89.797 -10.501 -7.186 11 HZ1 LYS 73 HZ1 LYS 73 92.258 -11.235 -5.699 12 HZ2 LYS 73 HZ2 LYS 73 91.214 -12.378 -6.402 13 HZ3 LYS 73 HZ3 LYS 73 92.025 -11.254 -7.381 No H/Q in entry = 13 In of MODEL 5 1 HA PRO 74 HA PRO 74 98.010 -6.666 -6.443 2 HB2 PRO 74 HB2 PRO 74 98.671 -8.309 -8.830 3 HB3 PRO 74 HB3 PRO 74 99.592 -8.049 -7.335 4 HG2 PRO 74 HG2 PRO 74 98.353 -10.343 -7.781 5 HG3 PRO 74 HG3 PRO 74 98.368 -9.614 -6.171 6 HD2 PRO 74 HD2 PRO 74 96.188 -9.594 -8.220 7 HD3 PRO 74 HD3 PRO 74 96.129 -9.907 -6.476 No H/Q in entry = 7 In of MODEL 5 1 H ALA 75 H ALA 75 99.037 -5.123 -7.661 2 HA ALA 75 HA ALA 75 97.730 -4.247 -10.172 3 HB1 ALA 75 HB1 ALA 75 97.308 -2.881 -7.960 4 HB2 ALA 75 HB2 ALA 75 97.644 -2.036 -9.468 5 HB3 ALA 75 HB3 ALA 75 98.926 -2.260 -8.277 No H/Q in entry = 5 In of MODEL 5 1 H THR 76 H THR 76 99.224 -3.276 -11.715 2 HA THR 76 HA THR 76 102.022 -4.029 -11.178 3 HB THR 76 HB THR 76 101.274 -5.150 -13.084 4 HG1 THR 76 HG1 THR 76 103.200 -3.517 -13.191 5 HG21 THR 76 HG21 THR 76 99.225 -3.778 -13.442 6 HG22 THR 76 HG22 THR 76 100.232 -2.502 -14.119 7 HG23 THR 76 HG23 THR 76 100.112 -4.058 -14.939 No H/Q in entry = 7 In of MODEL 5 1 H PHE 77 H PHE 77 103.657 -2.685 -11.155 2 HA PHE 77 HA PHE 77 103.354 0.047 -12.204 3 HB2 PHE 77 HB2 PHE 77 104.427 -0.582 -9.469 4 HB3 PHE 77 HB3 PHE 77 104.398 0.980 -10.189 5 HD1 PHE 77 HD1 PHE 77 102.789 -0.988 -7.926 6 HD2 PHE 77 HD2 PHE 77 101.948 1.596 -11.240 7 HE1 PHE 77 HE1 PHE 77 100.467 -0.660 -7.104 8 HE2 PHE 77 HE2 PHE 77 99.665 1.929 -10.443 9 HZ PHE 77 HZ PHE 77 98.891 0.795 -8.376 No H/Q in entry = 9 In of MODEL 5 1 H GLN 78 H GLN 78 105.246 0.989 -12.763 2 HA GLN 78 HA GLN 78 107.544 -0.808 -12.987 3 HB2 GLN 78 HB2 GLN 78 106.976 1.882 -14.232 4 HB3 GLN 78 HB3 GLN 78 108.531 1.077 -14.341 5 HG2 GLN 78 HG2 GLN 78 107.352 -0.923 -15.279 6 HG3 GLN 78 HG3 GLN 78 105.895 0.050 -15.355 7 HE21 GLN 78 HE21 GLN 78 108.507 2.055 -15.812 8 HE22 GLN 78 HE22 GLN 78 108.544 2.100 -17.503 No H/Q in entry = 8 In of MODEL 5 1 H VAL 79 H VAL 79 109.085 -0.708 -11.538 2 HA VAL 79 HA VAL 79 108.861 0.771 -9.249 3 HB VAL 79 HB VAL 79 111.483 -0.136 -10.463 No H/Q in entry = 3 In of MODEL 5 1 H SER 80 H SER 80 110.335 1.697 -12.346 2 HA SER 80 HA SER 80 111.701 3.967 -11.295 3 HB2 SER 80 HB2 SER 80 112.601 3.203 -13.312 4 HB3 SER 80 HB3 SER 80 111.014 3.022 -14.047 5 HG SER 80 HG SER 80 112.478 5.374 -13.496 No H/Q in entry = 5 In of MODEL 5 1 H GLN 81 H GLN 81 108.486 3.397 -12.481 2 HA GLN 81 HA GLN 81 107.937 6.296 -12.565 3 HB2 GLN 81 HB2 GLN 81 106.103 4.064 -13.363 4 HB3 GLN 81 HB3 GLN 81 105.975 5.782 -13.718 5 HG2 GLN 81 HG2 GLN 81 108.138 3.909 -14.702 6 HG3 GLN 81 HG3 GLN 81 106.815 4.609 -15.665 7 HE21 GLN 81 HE21 GLN 81 109.894 4.983 -15.769 8 HE22 GLN 81 HE22 GLN 81 110.081 6.670 -15.765 No H/Q in entry = 8 In of MODEL 5 1 H VAL 82 H VAL 82 107.499 3.647 -10.414 2 HA VAL 82 HA VAL 82 104.969 4.490 -9.413 3 HB VAL 82 HB VAL 82 106.007 2.204 -9.158 No H/Q in entry = 3 In of MODEL 5 1 H ILE 83 H ILE 83 104.798 5.165 -6.906 2 HA ILE 83 HA ILE 83 105.850 7.725 -6.701 3 HB ILE 83 HB ILE 83 105.460 6.578 -4.021 4 HD11 ILE 83 HD11 ILE 83 103.466 5.936 -3.022 5 HD12 ILE 83 HD12 ILE 83 102.231 6.791 -3.946 6 HD13 ILE 83 HD13 ILE 83 102.265 5.029 -3.930 No H/Q in entry = 6 In of MODEL 5 1 HA PRO 84 HA PRO 84 110.195 7.380 -5.807 2 HB2 PRO 84 HB2 PRO 84 109.651 9.097 -3.416 3 HB3 PRO 84 HB3 PRO 84 110.921 9.271 -4.641 4 HG2 PRO 84 HG2 PRO 84 108.808 10.831 -4.699 5 HG3 PRO 84 HG3 PRO 84 109.443 10.143 -6.191 6 HD2 PRO 84 HD2 PRO 84 107.035 9.365 -4.671 7 HD3 PRO 84 HD3 PRO 84 107.273 9.367 -6.417 No H/Q in entry = 7 In of MODEL 5 1 H GLY 85 H GLY 85 108.266 7.371 -2.802 2 HA2 GLY 85 HA2 GLY 85 108.337 5.949 -0.995 3 HA3 GLY 85 HA3 GLY 85 110.081 5.996 -1.190 No H/Q in entry = 3 In of MODEL 5 1 H TRP 86 H TRP 86 107.462 4.815 -3.182 2 HA TRP 86 HA TRP 86 107.778 2.039 -2.727 3 HB2 TRP 86 HB2 TRP 86 106.402 3.787 -4.734 4 HB3 TRP 86 HB3 TRP 86 106.559 2.076 -5.112 5 HD1 TRP 86 HD1 TRP 86 105.423 4.084 -1.953 6 HE1 TRP 86 HE1 TRP 86 103.299 2.974 -1.067 7 HE3 TRP 86 HE3 TRP 86 104.993 0.319 -5.304 8 HZ2 TRP 86 HZ2 TRP 86 101.644 0.716 -1.713 9 HZ3 TRP 86 HZ3 TRP 86 103.146 -1.271 -5.137 10 HH2 TRP 86 HH2 TRP 86 101.461 -1.102 -3.357 No H/Q in entry = 10 In of MODEL 5 1 H THR 87 H THR 87 109.287 4.218 -5.081 2 HA THR 87 HA THR 87 110.238 2.427 -6.932 3 HB THR 87 HB THR 87 111.624 4.870 -5.807 4 HG1 THR 87 HG1 THR 87 109.698 5.428 -6.684 5 HG21 THR 87 HG21 THR 87 113.164 3.349 -7.111 6 HG22 THR 87 HG22 THR 87 112.087 3.549 -8.477 7 HG23 THR 87 HG23 THR 87 112.926 4.923 -7.835 No H/Q in entry = 7 In of MODEL 5 1 H GLU 88 H GLU 88 111.942 3.503 -3.988 2 HA GLU 88 HA GLU 88 114.046 1.616 -4.346 3 HB2 GLU 88 HB2 GLU 88 114.358 3.795 -3.249 4 HB3 GLU 88 HB3 GLU 88 113.343 3.266 -1.914 5 HG2 GLU 88 HG2 GLU 88 115.643 2.956 -1.254 6 HG3 GLU 88 HG3 GLU 88 114.959 1.361 -1.537 No H/Q in entry = 6 In of MODEL 5 1 H ALA 89 H ALA 89 111.249 1.698 -2.136 2 HA ALA 89 HA ALA 89 111.928 -0.469 -0.539 3 HB1 ALA 89 HB1 ALA 89 109.239 0.543 -1.434 4 HB2 ALA 89 HB2 ALA 89 110.081 0.868 0.080 5 HB3 ALA 89 HB3 ALA 89 109.445 -0.737 -0.243 No H/Q in entry = 5 In of MODEL 5 1 H LEU 90 H LEU 90 110.136 -0.599 -3.639 2 HA LEU 90 HA LEU 90 109.459 -3.326 -3.564 3 HB2 LEU 90 HB2 LEU 90 110.203 -1.622 -5.956 4 HB3 LEU 90 HB3 LEU 90 109.358 -3.153 -6.031 5 HG LEU 90 HG LEU 90 108.291 -0.882 -4.356 6 HD11 LEU 90 HD11 LEU 90 107.909 -1.366 -7.299 7 HD12 LEU 90 HD12 LEU 90 106.867 -0.328 -6.356 8 HD13 LEU 90 HD13 LEU 90 108.572 0.061 -6.537 9 HD21 LEU 90 HD21 LEU 90 107.149 -3.360 -5.609 10 HD22 LEU 90 HD22 LEU 90 107.180 -2.931 -3.914 11 HD23 LEU 90 HD23 LEU 90 106.123 -2.073 -5.041 No H/Q in entry = 11 In of MODEL 5 1 H GLN 91 H GLN 91 112.353 -1.690 -4.730 2 HA GLN 91 HA GLN 91 113.657 -3.922 -5.817 3 HB2 GLN 91 HB2 GLN 91 114.899 -1.438 -4.655 4 HB3 GLN 91 HB3 GLN 91 115.624 -2.521 -5.842 5 HG2 GLN 91 HG2 GLN 91 113.870 -1.983 -7.454 6 HG3 GLN 91 HG3 GLN 91 113.069 -0.973 -6.256 7 HE21 GLN 91 HE21 GLN 91 113.349 1.116 -7.146 8 HE22 GLN 91 HE22 GLN 91 114.865 1.778 -7.533 No H/Q in entry = 8 In of MODEL 5 1 H LEU 92 H LEU 92 113.257 -2.814 -2.571 2 HA LEU 92 HA LEU 92 115.410 -4.607 -1.606 3 HB2 LEU 92 HB2 LEU 92 113.805 -2.553 -0.071 4 HB3 LEU 92 HB3 LEU 92 115.232 -3.421 0.498 5 HG LEU 92 HG LEU 92 115.203 -1.549 -1.868 6 HD11 LEU 92 HD11 LEU 92 116.074 -1.129 0.976 7 HD12 LEU 92 HD12 LEU 92 116.468 -0.052 -0.366 8 HD13 LEU 92 HD13 LEU 92 114.789 -0.289 0.107 9 HD21 LEU 92 HD21 LEU 92 117.343 -3.116 -0.478 10 HD22 LEU 92 HD22 LEU 92 116.994 -3.030 -2.202 11 HD23 LEU 92 HD23 LEU 92 117.723 -1.655 -1.383 No H/Q in entry = 11 In of MODEL 5 1 H MET 93 H MET 93 112.098 -4.505 -2.098 2 HA MET 93 HA MET 93 111.397 -6.172 0.176 3 HB2 MET 93 HB2 MET 93 109.941 -4.353 -0.643 4 HB3 MET 93 HB3 MET 93 109.728 -5.241 -2.150 5 HG2 MET 93 HG2 MET 93 108.630 -7.033 -1.060 6 HG3 MET 93 HG3 MET 93 109.109 -6.465 0.541 7 HE1 MET 93 HE1 MET 93 106.677 -6.353 -2.313 8 HE2 MET 93 HE2 MET 93 106.116 -7.162 -0.845 9 HE3 MET 93 HE3 MET 93 105.275 -5.749 -1.447 No H/Q in entry = 9 In of MODEL 5 1 HA PRO 94 HA PRO 94 112.302 -9.771 -2.585 2 HB2 PRO 94 HB2 PRO 94 111.818 -11.344 -0.151 3 HB3 PRO 94 HB3 PRO 94 113.250 -11.304 -1.187 4 HG2 PRO 94 HG2 PRO 94 113.263 -10.232 1.257 5 HG3 PRO 94 HG3 PRO 94 114.140 -9.480 -0.094 6 HD2 PRO 94 HD2 PRO 94 111.472 -8.738 1.051 7 HD3 PRO 94 HD3 PRO 94 112.828 -7.713 0.602 No H/Q in entry = 7 In of MODEL 5 1 H ALA 95 H ALA 95 111.056 -11.322 -3.555 2 HA ALA 95 HA ALA 95 108.277 -10.926 -3.458 3 HB1 ALA 95 HB1 ALA 95 109.898 -13.067 -4.784 4 HB2 ALA 95 HB2 ALA 95 108.146 -12.906 -4.962 5 HB3 ALA 95 HB3 ALA 95 109.211 -11.619 -5.523 No H/Q in entry = 5 In of MODEL 5 1 H GLY 96 H GLY 96 106.664 -11.886 -2.533 2 HA2 GLY 96 HA2 GLY 96 107.087 -14.354 -1.004 3 HA3 GLY 96 HA3 GLY 96 105.539 -13.603 -1.406 No H/Q in entry = 3 In of MODEL 5 1 H SER 97 H SER 97 108.071 -11.514 -0.423 2 HA SER 97 HA SER 97 107.333 -11.533 2.386 3 HB2 SER 97 HB2 SER 97 109.205 -10.198 2.738 4 HB3 SER 97 HB3 SER 97 109.704 -11.090 1.301 5 HG SER 97 HG SER 97 108.378 -9.098 0.363 No H/Q in entry = 5 In of MODEL 5 1 H THR 98 H THR 98 106.033 -10.140 3.362 2 HA THR 98 HA THR 98 104.743 -8.042 1.735 3 HB THR 98 HB THR 98 103.746 -9.349 4.271 4 HG1 THR 98 HG1 THR 98 103.871 -10.451 2.003 5 HG21 THR 98 HG21 THR 98 102.571 -7.364 2.308 6 HG22 THR 98 HG22 THR 98 101.629 -8.254 3.509 7 HG23 THR 98 HG23 THR 98 102.888 -7.140 4.029 No H/Q in entry = 7 In of MODEL 5 1 H TRP 99 H TRP 99 105.536 -6.080 2.100 2 HA TRP 99 HA TRP 99 106.466 -5.430 4.848 3 HB2 TRP 99 HB2 TRP 99 107.337 -4.315 2.180 4 HB3 TRP 99 HB3 TRP 99 107.798 -3.613 3.717 5 HD1 TRP 99 HD1 TRP 99 107.829 -7.320 4.008 6 HE1 TRP 99 HE1 TRP 99 110.207 -8.212 3.842 7 HE3 TRP 99 HE3 TRP 99 110.156 -3.093 2.362 8 HZ2 TRP 99 HZ2 TRP 99 112.810 -7.242 3.117 9 HZ3 TRP 99 HZ3 TRP 99 112.609 -3.109 1.956 10 HH2 TRP 99 HH2 TRP 99 113.934 -5.170 2.340 No H/Q in entry = 10 In of MODEL 5 1 H GLU 100 H GLU 100 106.339 -3.137 5.361 2 HA GLU 100 HA GLU 100 104.073 -1.709 4.142 3 HB2 GLU 100 HB2 GLU 100 104.652 -2.069 7.084 4 HB3 GLU 100 HB3 GLU 100 103.710 -0.710 6.484 5 HG2 GLU 100 HG2 GLU 100 102.089 -2.190 5.505 6 HG3 GLU 100 HG3 GLU 100 103.049 -3.599 5.903 No H/Q in entry = 6 In of MODEL 5 1 H ILE 101 H ILE 101 104.688 0.298 3.493 2 HA ILE 101 HA ILE 101 107.119 1.384 4.674 3 HB ILE 101 HB ILE 101 108.054 1.975 2.663 4 HD11 ILE 101 HD11 ILE 101 108.107 2.665 0.428 5 HD12 ILE 101 HD12 ILE 101 107.417 1.142 -0.119 6 HD13 ILE 101 HD13 ILE 101 106.672 2.658 -0.581 No H/Q in entry = 6 In of MODEL 5 1 H TYR 102 H TYR 102 107.176 3.385 5.237 2 HA TYR 102 HA TYR 102 104.654 4.914 5.075 3 HB2 TYR 102 HB2 TYR 102 106.953 5.213 7.019 4 HB3 TYR 102 HB3 TYR 102 105.389 5.970 7.143 5 HD1 TYR 102 HD1 TYR 102 106.490 2.378 6.551 6 HD2 TYR 102 HD2 TYR 102 104.181 5.069 8.957 7 HE1 TYR 102 HE1 TYR 102 105.642 0.486 7.809 8 HE2 TYR 102 HE2 TYR 102 103.329 3.149 10.257 9 HH TYR 102 HH TYR 102 104.581 0.412 10.537 No H/Q in entry = 9 In of MODEL 5 1 H VAL 103 H VAL 103 104.903 6.124 3.299 2 HA VAL 103 HA VAL 103 107.455 7.119 2.512 3 HB VAL 103 HB VAL 103 104.866 7.624 1.146 No H/Q in entry = 3 In of MODEL 5 1 HA PRO 104 HA PRO 104 106.869 11.149 4.475 2 HB2 PRO 104 HB2 PRO 104 109.089 11.775 2.564 3 HB3 PRO 104 HB3 PRO 104 108.978 12.123 4.300 4 HG2 PRO 104 HG2 PRO 104 110.533 10.149 3.332 5 HG3 PRO 104 HG3 PRO 104 109.737 10.028 4.896 6 HD2 PRO 104 HD2 PRO 104 109.107 8.637 2.372 7 HD3 PRO 104 HD3 PRO 104 108.756 8.165 4.051 No H/Q in entry = 7 In of MODEL 5 1 H SER 105 H SER 105 105.775 12.987 3.718 2 HA SER 105 HA SER 105 104.245 12.808 1.448 3 HB2 SER 105 HB2 SER 105 103.674 15.104 1.749 4 HB3 SER 105 HB3 SER 105 103.969 14.451 3.358 5 HG SER 105 HG SER 105 105.706 16.011 1.745 No H/Q in entry = 5 In of MODEL 5 1 H GLY 106 H GLY 106 107.484 14.132 1.793 2 HA2 GLY 106 HA2 GLY 106 109.021 14.844 0.235 3 HA3 GLY 106 HA3 GLY 106 107.661 15.350 -0.759 No H/Q in entry = 3 In of MODEL 5 1 H LEU 107 H LEU 107 108.160 12.060 0.377 2 HA LEU 107 HA LEU 107 109.096 11.225 -2.300 3 HB2 LEU 107 HB2 LEU 107 108.967 9.667 0.308 4 HB3 LEU 107 HB3 LEU 107 109.611 9.056 -1.194 5 HG LEU 107 HG LEU 107 110.698 11.410 0.367 6 HD11 LEU 107 HD11 LEU 107 111.195 9.169 1.345 7 HD12 LEU 107 HD12 LEU 107 111.914 8.706 -0.194 8 HD13 LEU 107 HD13 LEU 107 112.638 9.992 0.757 9 HD21 LEU 107 HD21 LEU 107 111.312 10.332 -2.357 10 HD22 LEU 107 HD22 LEU 107 111.234 12.004 -1.816 11 HD23 LEU 107 HD23 LEU 107 112.626 11.007 -1.403 No H/Q in entry = 11 In of MODEL 5 1 H ALA 108 H ALA 108 106.173 11.677 -0.833 2 HA ALA 108 HA ALA 108 104.975 9.262 -2.024 3 HB1 ALA 108 HB1 ALA 108 103.659 11.169 -0.095 4 HB2 ALA 108 HB2 ALA 108 103.117 9.573 -0.578 5 HB3 ALA 108 HB3 ALA 108 104.544 9.762 0.403 No H/Q in entry = 5 In of MODEL 5 1 H TYR 109 H TYR 109 102.805 11.822 -1.337 2 HA TYR 109 HA TYR 109 102.449 12.199 -4.196 3 HB2 TYR 109 HB2 TYR 109 100.558 12.242 -1.901 4 HB3 TYR 109 HB3 TYR 109 100.125 13.015 -3.433 5 HD1 TYR 109 HD1 TYR 109 100.438 9.894 -1.709 6 HD2 TYR 109 HD2 TYR 109 100.521 11.657 -5.609 7 HE1 TYR 109 HE1 TYR 109 100.194 7.680 -2.703 8 HE2 TYR 109 HE2 TYR 109 100.303 9.425 -6.630 9 HH TYR 109 HH TYR 109 100.959 6.686 -5.155 No H/Q in entry = 9 In of MODEL 5 1 H GLY 110 H GLY 110 104.080 13.815 -1.978 2 HA2 GLY 110 HA2 GLY 110 103.654 16.322 -3.449 3 HA3 GLY 110 HA3 GLY 110 105.081 15.895 -2.532 No H/Q in entry = 3 In of MODEL 5 1 HA PRO 111 HA PRO 111 103.771 18.325 0.845 2 HB2 PRO 111 HB2 PRO 111 104.450 20.839 0.123 3 HB3 PRO 111 HB3 PRO 111 105.654 19.585 0.445 4 HG2 PRO 111 HG2 PRO 111 104.580 20.501 -2.184 5 HG3 PRO 111 HG3 PRO 111 106.259 20.210 -1.706 6 HD2 PRO 111 HD2 PRO 111 104.821 18.391 -3.104 7 HD3 PRO 111 HD3 PRO 111 106.042 17.904 -1.919 No H/Q in entry = 7 In of MODEL 5 1 H ARG 112 H ARG 112 102.331 19.018 -2.219 2 HA ARG 112 HA ARG 112 100.257 20.779 -1.091 3 HB2 ARG 112 HB2 ARG 112 101.159 19.995 -3.845 4 HB3 ARG 112 HB3 ARG 112 99.496 20.530 -3.649 5 HG2 ARG 112 HG2 ARG 112 100.703 22.479 -4.206 6 HG3 ARG 112 HG3 ARG 112 100.455 22.597 -2.469 7 HD2 ARG 112 HD2 ARG 112 102.698 21.823 -2.035 8 HD3 ARG 112 HD3 ARG 112 102.960 21.467 -3.739 9 HE ARG 112 HE ARG 112 102.353 24.107 -3.778 10 HH11 ARG 112 HH11 ARG 112 104.493 22.239 -1.794 11 HH12 ARG 112 HH12 ARG 112 105.705 23.471 -1.710 12 HH21 ARG 112 HH21 ARG 112 103.929 25.732 -3.642 13 HH22 ARG 112 HH22 ARG 112 105.389 25.440 -2.758 No H/Q in entry = 13 In of MODEL 5 1 H SER 113 H SER 113 97.951 20.277 -1.734 2 HA SER 113 HA SER 113 97.287 17.608 -0.936 3 HB2 SER 113 HB2 SER 113 95.414 19.643 -2.135 4 HB3 SER 113 HB3 SER 113 95.036 18.315 -1.047 5 HG SER 113 HG SER 113 95.670 19.478 0.590 No H/Q in entry = 5 In of MODEL 5 1 H VAL 114 H VAL 114 98.532 16.573 -2.701 2 HA VAL 114 HA VAL 114 97.363 16.789 -5.387 3 HB VAL 114 HB VAL 114 99.639 15.004 -4.533 No H/Q in entry = 3 In of MODEL 5 1 H GLY 115 H GLY 115 95.341 15.858 -4.118 2 HA2 GLY 115 HA2 GLY 115 95.299 13.048 -3.601 3 HA3 GLY 115 HA3 GLY 115 94.704 13.402 -5.218 No H/Q in entry = 3 In of MODEL 5 1 H GLY 116 H GLY 116 92.856 12.259 -3.837 2 HA2 GLY 116 HA2 GLY 116 90.699 12.429 -3.050 3 HA3 GLY 116 HA3 GLY 116 90.732 14.088 -3.602 No H/Q in entry = 3 In of MODEL 5 1 HA PRO 117 HA PRO 117 90.259 14.210 1.025 2 HB2 PRO 117 HB2 PRO 117 91.113 12.074 2.541 3 HB3 PRO 117 HB3 PRO 117 89.477 12.255 1.911 4 HG2 PRO 117 HG2 PRO 117 91.728 10.665 0.836 5 HG3 PRO 117 HG3 PRO 117 90.025 10.278 0.884 6 HD2 PRO 117 HD2 PRO 117 91.218 11.078 -1.380 7 HD3 PRO 117 HD3 PRO 117 89.544 11.535 -1.001 No H/Q in entry = 7 In of MODEL 5 1 H ILE 118 H ILE 118 93.127 13.118 -0.380 2 HA ILE 118 HA ILE 118 94.969 13.652 1.717 3 HB ILE 118 HB ILE 118 95.461 13.899 -1.259 4 HD11 ILE 118 HD11 ILE 118 94.005 12.250 -1.840 5 HD12 ILE 118 HD12 ILE 118 94.477 10.578 -1.632 6 HD13 ILE 118 HD13 ILE 118 93.504 11.365 -0.407 No H/Q in entry = 6 In of MODEL 5 1 H GLY 119 H GLY 119 95.095 15.585 2.643 2 HA2 GLY 119 HA2 GLY 119 94.728 17.858 2.918 3 HA3 GLY 119 HA3 GLY 119 94.452 18.033 1.201 No H/Q in entry = 3 In of MODEL 5 1 HA PRO 120 HA PRO 120 98.481 19.769 0.964 2 HB2 PRO 120 HB2 PRO 120 98.835 21.627 2.944 3 HB3 PRO 120 HB3 PRO 120 97.852 21.921 1.512 4 HG2 PRO 120 HG2 PRO 120 96.985 21.062 4.231 5 HG3 PRO 120 HG3 PRO 120 96.278 22.279 3.178 6 HD2 PRO 120 HD2 PRO 120 95.213 19.840 3.423 7 HD3 PRO 120 HD3 PRO 120 95.226 20.667 1.852 No H/Q in entry = 7 In of MODEL 5 1 H ASN 121 H ASN 121 100.614 19.417 1.555 2 HA ASN 121 HA ASN 121 102.304 18.234 2.562 3 HB2 ASN 121 HB2 ASN 121 101.926 20.433 3.885 4 HB3 ASN 121 HB3 ASN 121 101.302 19.377 5.149 5 HD21 ASN 121 HD21 ASN 121 103.114 17.151 4.741 6 HD22 ASN 121 HD22 ASN 121 104.671 17.673 5.172 No H/Q in entry = 6 In of MODEL 5 1 H GLU 122 H GLU 122 100.576 16.342 2.107 2 HA GLU 122 HA GLU 122 99.966 14.979 4.652 3 HB2 GLU 122 HB2 GLU 122 98.990 14.665 1.830 4 HB3 GLU 122 HB3 GLU 122 98.730 13.399 3.029 5 HG2 GLU 122 HG2 GLU 122 97.885 16.274 3.391 6 HG3 GLU 122 HG3 GLU 122 96.829 14.993 2.812 No H/Q in entry = 6 In of MODEL 5 1 H THR 123 H THR 123 100.996 13.249 5.297 2 HA THR 123 HA THR 123 103.042 12.006 3.562 3 HB THR 123 HB THR 123 102.514 11.793 6.532 4 HG1 THR 123 HG1 THR 123 104.954 12.553 5.947 5 HG21 THR 123 HG21 THR 123 103.322 9.653 5.505 6 HG22 THR 123 HG22 THR 123 104.715 10.521 4.901 7 HG23 THR 123 HG23 THR 123 104.467 10.347 6.636 No H/Q in entry = 7 In of MODEL 5 1 H LEU 124 H LEU 124 102.595 10.072 2.663 2 HA LEU 124 HA LEU 124 100.158 8.643 3.592 3 HB2 LEU 124 HB2 LEU 124 101.442 8.634 0.847 4 HB3 LEU 124 HB3 LEU 124 100.023 7.718 1.308 5 HG LEU 124 HG LEU 124 99.108 9.584 0.213 6 HD11 LEU 124 HD11 LEU 124 98.211 9.283 2.563 7 HD12 LEU 124 HD12 LEU 124 99.206 10.670 2.988 8 HD13 LEU 124 HD13 LEU 124 97.931 10.848 1.803 9 HD21 LEU 124 HD21 LEU 124 101.299 10.800 0.102 10 HD22 LEU 124 HD22 LEU 124 99.889 11.826 0.343 11 HD23 LEU 124 HD23 LEU 124 100.933 11.438 1.693 No H/Q in entry = 11 In of MODEL 5 1 H ILE 125 H ILE 125 100.172 6.480 3.821 2 HA ILE 125 HA ILE 125 102.775 5.071 3.703 3 HB ILE 125 HB ILE 125 102.335 5.284 6.030 4 HD11 ILE 125 HD11 ILE 125 102.008 3.777 7.745 5 HD12 ILE 125 HD12 ILE 125 101.037 2.335 7.506 6 HD13 ILE 125 HD13 ILE 125 102.775 2.273 7.280 No H/Q in entry = 6 In of MODEL 5 1 H PHE 126 H PHE 126 102.675 2.929 3.010 2 HA PHE 126 HA PHE 126 100.031 1.932 2.238 3 HB2 PHE 126 HB2 PHE 126 102.314 1.583 0.326 4 HB3 PHE 126 HB3 PHE 126 100.569 1.492 0.037 5 HD1 PHE 126 HD1 PHE 126 99.519 3.313 -0.978 6 HD2 PHE 126 HD2 PHE 126 103.178 3.916 1.182 7 HE1 PHE 126 HE1 PHE 126 99.539 5.698 -1.663 8 HE2 PHE 126 HE2 PHE 126 103.174 6.288 0.513 9 HZ PHE 126 HZ PHE 126 101.378 7.178 -0.904 No H/Q in entry = 9 In of MODEL 5 1 H LYS 127 H LYS 127 99.872 -0.313 2.038 2 HA LYS 127 HA LYS 127 102.027 -1.794 3.349 3 HB2 LYS 127 HB2 LYS 127 99.532 -3.260 2.773 4 HB3 LYS 127 HB3 LYS 127 100.402 -3.119 4.279 5 HG2 LYS 127 HG2 LYS 127 98.535 -1.038 3.162 6 HG3 LYS 127 HG3 LYS 127 98.128 -2.190 4.419 7 HD2 LYS 127 HD2 LYS 127 99.888 -1.246 5.878 8 HD3 LYS 127 HD3 LYS 127 100.287 -0.064 4.649 9 HE2 LYS 127 HE2 LYS 127 98.033 0.873 4.766 10 HE3 LYS 127 HE3 LYS 127 97.570 -0.353 5.949 11 HZ1 LYS 127 HZ1 LYS 127 99.663 0.594 7.181 12 HZ2 LYS 127 HZ2 LYS 127 99.309 1.981 6.267 13 HZ3 LYS 127 HZ3 LYS 127 98.147 1.346 7.328 No H/Q in entry = 13 In of MODEL 5 1 H ILE 128 H ILE 128 103.322 -3.013 2.007 2 HA ILE 128 HA ILE 128 102.148 -3.527 -0.694 3 HB ILE 128 HB ILE 128 105.118 -3.285 -0.298 4 HD11 ILE 128 HD11 ILE 128 105.226 -0.725 -1.981 5 HD12 ILE 128 HD12 ILE 128 104.959 0.502 -0.756 6 HD13 ILE 128 HD13 ILE 128 106.117 -0.785 -0.459 No H/Q in entry = 6 In of MODEL 5 1 H HIS 129 H HIS 129 101.761 -5.454 -1.152 2 HA HIS 129 HA HIS 129 103.316 -7.674 0.040 3 HB2 HIS 129 HB2 HIS 129 100.967 -7.783 0.664 4 HB3 HIS 129 HB3 HIS 129 100.479 -7.535 -1.004 5 HD2 HIS 129 HD2 HIS 129 103.235 -10.225 0.067 6 HE1 HIS 129 HE1 HIS 129 99.979 -12.147 -1.840 7 HE2 HIS 129 HE2 HIS 129 102.338 -12.462 -0.992 No H/Q in entry = 7 In of MODEL 5 1 H LEU 130 H LEU 130 104.611 -8.782 -1.358 2 HA LEU 130 HA LEU 130 104.282 -8.193 -4.211 3 HB2 LEU 130 HB2 LEU 130 106.543 -8.644 -2.547 4 HB3 LEU 130 HB3 LEU 130 106.492 -9.937 -3.703 5 HG LEU 130 HG LEU 130 106.279 -7.059 -4.505 6 HD11 LEU 130 HD11 LEU 130 108.680 -8.875 -4.385 7 HD12 LEU 130 HD12 LEU 130 108.655 -7.369 -5.287 8 HD13 LEU 130 HD13 LEU 130 108.465 -7.354 -3.531 9 HD21 LEU 130 HD21 LEU 130 106.773 -9.635 -6.001 10 HD22 LEU 130 HD22 LEU 130 105.334 -8.626 -6.134 11 HD23 LEU 130 HD23 LEU 130 106.866 -8.046 -6.709 No H/Q in entry = 11 In of MODEL 5 1 H ILE 131 H ILE 131 103.066 -9.451 -5.429 2 HA ILE 131 HA ILE 131 102.769 -12.295 -4.772 3 HB ILE 131 HB ILE 131 101.265 -10.481 -6.680 4 HD11 ILE 131 HD11 ILE 131 100.320 -8.928 -5.229 5 HD12 ILE 131 HD12 ILE 131 99.739 -9.356 -3.626 6 HD13 ILE 131 HD13 ILE 131 101.460 -9.321 -3.941 No H/Q in entry = 6 In of MODEL 5 1 H SER 132 H SER 132 103.706 -10.190 -7.519 2 HA SER 132 HA SER 132 105.466 -12.315 -8.474 3 HB2 SER 132 HB2 SER 132 104.446 -12.689 -10.536 4 HB3 SER 132 HB3 SER 132 103.050 -12.510 -9.480 5 HG SER 132 HG SER 132 104.243 -10.512 -11.109 No H/Q in entry = 5 In of MODEL 5 1 H VAL 133 H VAL 133 106.963 -11.600 -10.120 2 HA VAL 133 HA VAL 133 107.298 -8.652 -10.246 3 HB VAL 133 HB VAL 133 109.456 -10.755 -9.833 No H/Q in entry = 3 In of MODEL 5 1 H LYS 134 H LYS 134 107.723 -7.824 -12.165 2 HA LYS 134 HA LYS 134 107.826 -9.554 -14.504 3 HB2 LYS 134 HB2 LYS 134 106.376 -7.391 -14.050 4 HB3 LYS 134 HB3 LYS 134 107.851 -6.607 -14.564 5 HG2 LYS 134 HG2 LYS 134 106.796 -6.837 -16.624 6 HG3 LYS 134 HG3 LYS 134 107.733 -8.331 -16.580 7 HD2 LYS 134 HD2 LYS 134 105.749 -9.467 -15.564 8 HD3 LYS 134 HD3 LYS 134 104.822 -7.989 -15.833 9 HE2 LYS 134 HE2 LYS 134 105.538 -8.137 -18.275 10 HE3 LYS 134 HE3 LYS 134 106.106 -9.766 -17.917 11 HZ1 LYS 134 HZ1 LYS 134 103.619 -9.710 -16.834 12 HZ2 LYS 134 HZ2 LYS 134 103.425 -8.811 -18.263 13 HZ3 LYS 134 HZ3 LYS 134 104.027 -10.394 -18.335 No H/Q in entry = 13 In of MODEL 5 1 H LYS 135 H LYS 135 108.992 -7.270 -15.963 2 HA LYS 135 HA LYS 135 111.678 -6.852 -15.066 3 HB2 LYS 135 HB2 LYS 135 111.183 -9.209 -16.536 4 HB3 LYS 135 HB3 LYS 135 111.975 -8.123 -17.658 5 HG2 LYS 135 HG2 LYS 135 113.077 -8.495 -14.876 6 HG3 LYS 135 HG3 LYS 135 113.395 -9.682 -16.138 7 HD2 LYS 135 HD2 LYS 135 113.860 -6.779 -16.738 8 HD3 LYS 135 HD3 LYS 135 115.049 -7.641 -15.763 9 HE2 LYS 135 HE2 LYS 135 114.104 -8.429 -18.528 10 HE3 LYS 135 HE3 LYS 135 115.685 -7.759 -18.123 11 HZ1 LYS 135 HZ1 LYS 135 115.616 -9.797 -16.452 12 HZ2 LYS 135 HZ2 LYS 135 114.628 -10.435 -17.676 13 HZ3 LYS 135 HZ3 LYS 135 116.211 -9.943 -18.035 No H/Q in entry = 13 In of MODEL 5 1 H SER 136 H SER 136 112.847 -5.421 -16.394 2 HA SER 136 HA SER 136 111.497 -3.200 -17.210 3 HB2 SER 136 HB2 SER 136 113.510 -2.510 -18.371 4 HB3 SER 136 HB3 SER 136 113.965 -3.378 -16.907 5 HG SER 136 HG SER 136 115.126 -4.448 -18.337 No H/Q in entry = 5 In of MODEL 5 1 H SER 137 H SER 137 112.138 -6.088 -19.121 2 HA SER 137 HA SER 137 111.062 -4.872 -21.553 3 HB2 SER 137 HB2 SER 137 112.951 -6.463 -21.709 4 HB3 SER 137 HB3 SER 137 111.930 -7.726 -21.023 5 HG SER 137 HG SER 137 111.885 -7.824 -23.281 No H/Q in entry = 5 In of MODEL 6 1 H1 PHE 1 H1 PHE 1 95.554 28.071 2.739 2 H2 PHE 1 H2 PHE 1 94.030 28.117 1.997 3 H3 PHE 1 H3 PHE 1 94.196 28.588 3.620 4 HA PHE 1 HA PHE 1 93.516 26.520 4.078 5 HB2 PHE 1 HB2 PHE 1 94.310 26.068 1.212 6 HB3 PHE 1 HB3 PHE 1 94.085 24.660 2.250 7 HD1 PHE 1 HD1 PHE 1 91.919 23.814 2.617 8 HD2 PHE 1 HD2 PHE 1 92.402 27.854 1.235 9 HE1 PHE 1 HE1 PHE 1 89.459 24.032 2.391 10 HE2 PHE 1 HE2 PHE 1 89.942 28.070 1.007 11 HZ PHE 1 HZ PHE 1 88.471 26.160 1.589 No H/Q in entry = 11 In of MODEL 6 1 H ASN 2 H ASN 2 96.372 27.783 4.034 2 HA ASN 2 HA ASN 2 98.194 25.619 4.158 3 HB2 ASN 2 HB2 ASN 2 98.424 28.302 5.519 4 HB3 ASN 2 HB3 ASN 2 99.733 27.169 5.205 5 HD21 ASN 2 HD21 ASN 2 100.905 28.543 3.740 6 HD22 ASN 2 HD22 ASN 2 100.288 28.995 2.226 No H/Q in entry = 6 In of MODEL 6 1 H LYS 3 H LYS 3 96.018 27.039 6.538 2 HA LYS 3 HA LYS 3 97.145 26.187 8.904 3 HB2 LYS 3 HB2 LYS 3 94.897 26.061 9.840 4 HB3 LYS 3 HB3 LYS 3 94.985 27.439 8.746 5 HG2 LYS 3 HG2 LYS 3 93.880 26.162 6.982 6 HG3 LYS 3 HG3 LYS 3 93.892 24.717 7.974 7 HD2 LYS 3 HD2 LYS 3 92.477 25.879 9.640 8 HD3 LYS 3 HD3 LYS 3 92.350 27.247 8.527 9 HE2 LYS 3 HE2 LYS 3 91.376 25.814 6.828 10 HE3 LYS 3 HE3 LYS 3 91.634 24.393 7.845 11 HZ1 LYS 3 HZ1 LYS 3 90.177 26.425 9.216 12 HZ2 LYS 3 HZ2 LYS 3 89.390 25.970 7.783 13 HZ3 LYS 3 HZ3 LYS 3 89.771 24.798 8.952 No H/Q in entry = 13 In of MODEL 6 1 H LYS 4 H LYS 4 95.328 24.311 6.539 2 HA LYS 4 HA LYS 4 95.238 21.913 8.004 3 HB2 LYS 4 HB2 LYS 4 94.007 22.733 5.818 4 HB3 LYS 4 HB3 LYS 4 95.323 21.885 5.015 5 HG2 LYS 4 HG2 LYS 4 93.553 20.652 7.145 6 HG3 LYS 4 HG3 LYS 4 93.261 20.506 5.418 7 HD2 LYS 4 HD2 LYS 4 95.727 19.597 5.339 8 HD3 LYS 4 HD3 LYS 4 95.498 19.349 7.065 9 HE2 LYS 4 HE2 LYS 4 93.657 17.860 6.732 10 HE3 LYS 4 HE3 LYS 4 93.517 18.291 5.031 11 HZ1 LYS 4 HZ1 LYS 4 95.707 17.316 4.666 12 HZ2 LYS 4 HZ2 LYS 4 95.769 16.835 6.294 13 HZ3 LYS 4 HZ3 LYS 4 94.597 16.181 5.253 No H/Q in entry = 13 In of MODEL 6 1 H ALA 5 H ALA 5 97.527 23.284 5.735 2 HA ALA 5 HA ALA 5 99.238 21.136 5.260 3 HB1 ALA 5 HB1 ALA 5 100.805 22.754 4.536 4 HB2 ALA 5 HB2 ALA 5 100.213 23.957 5.663 5 HB3 ALA 5 HB3 ALA 5 99.245 23.524 4.262 No H/Q in entry = 5 In of MODEL 6 1 H ASP 6 H ASP 6 98.965 23.313 7.957 2 HA ASP 6 HA ASP 6 101.364 22.511 9.268 3 HB2 ASP 6 HB2 ASP 6 98.880 23.901 10.200 4 HB3 ASP 6 HB3 ASP 6 100.219 23.539 11.267 No H/Q in entry = 4 In of MODEL 6 1 H GLU 7 H GLU 7 97.999 21.356 9.325 2 HA GLU 7 HA GLU 7 98.269 19.678 11.593 3 HB2 GLU 7 HB2 GLU 7 96.484 19.196 9.248 4 HB3 GLU 7 HB3 GLU 7 96.225 18.686 10.910 5 HG2 GLU 7 HG2 GLU 7 96.092 21.060 11.580 6 HG3 GLU 7 HG3 GLU 7 96.265 21.518 9.899 No H/Q in entry = 6 In of MODEL 6 1 H ASN 8 H ASN 8 98.295 18.974 8.171 2 HA ASN 8 HA ASN 8 98.975 16.258 8.317 3 HB2 ASN 8 HB2 ASN 8 99.812 18.222 6.186 4 HB3 ASN 8 HB3 ASN 8 99.613 16.488 6.017 5 HD21 ASN 8 HD21 ASN 8 98.167 17.998 4.293 6 HD22 ASN 8 HD22 ASN 8 96.534 18.011 4.719 No H/Q in entry = 6 In of MODEL 6 1 H LYS 9 H LYS 9 100.803 19.173 8.370 2 HA LYS 9 HA LYS 9 103.413 18.111 8.139 3 HB2 LYS 9 HB2 LYS 9 103.243 20.390 7.728 4 HB3 LYS 9 HB3 LYS 9 102.137 20.621 9.049 5 HG2 LYS 9 HG2 LYS 9 103.876 20.530 10.665 6 HG3 LYS 9 HG3 LYS 9 105.035 20.005 9.448 7 HD2 LYS 9 HD2 LYS 9 104.623 22.198 8.253 8 HD3 LYS 9 HD3 LYS 9 103.676 22.696 9.654 9 HE2 LYS 9 HE2 LYS 9 105.579 22.522 11.116 10 HE3 LYS 9 HE3 LYS 9 106.542 21.746 9.857 11 HZ1 LYS 9 HZ1 LYS 9 105.674 24.091 8.739 12 HZ2 LYS 9 HZ2 LYS 9 106.086 24.519 10.332 13 HZ3 LYS 9 HZ3 LYS 9 107.232 23.768 9.327 No H/Q in entry = 13 In of MODEL 6 1 H VAL 10 H VAL 10 101.545 19.059 11.073 2 HA VAL 10 HA VAL 10 103.638 18.164 12.813 3 HB VAL 10 HB VAL 10 100.761 18.847 13.357 No H/Q in entry = 3 In of MODEL 6 1 H LYS 11 H LYS 11 100.500 16.767 11.915 2 HA LYS 11 HA LYS 11 100.765 14.485 13.528 3 HB2 LYS 11 HB2 LYS 11 99.196 15.030 11.041 4 HB3 LYS 11 HB3 LYS 11 99.162 13.472 11.831 5 HG2 LYS 11 HG2 LYS 11 97.321 14.553 12.799 6 HG3 LYS 11 HG3 LYS 11 98.581 14.827 13.994 7 HD2 LYS 11 HD2 LYS 11 99.034 17.041 12.852 8 HD3 LYS 11 HD3 LYS 11 97.582 16.769 11.896 9 HE2 LYS 11 HE2 LYS 11 97.803 17.054 14.896 10 HE3 LYS 11 HE3 LYS 11 96.957 18.122 13.781 11 HZ1 LYS 11 HZ1 LYS 11 96.243 15.266 14.148 12 HZ2 LYS 11 HZ2 LYS 11 95.510 16.530 15.017 13 HZ3 LYS 11 HZ3 LYS 11 95.357 16.456 13.327 No H/Q in entry = 13 In of MODEL 6 1 H GLY 12 H GLY 12 101.783 15.300 10.295 2 HA2 GLY 12 HA2 GLY 12 103.134 14.191 8.780 3 HA3 GLY 12 HA3 GLY 12 102.750 12.711 9.616 No H/Q in entry = 3 In of MODEL 6 1 H GLU 13 H GLU 13 104.448 15.640 10.801 2 HA GLU 13 HA GLU 13 107.034 14.518 10.717 3 HB2 GLU 13 HB2 GLU 13 105.822 16.662 12.475 4 HB3 GLU 13 HB3 GLU 13 107.503 16.157 12.646 5 HG2 GLU 13 HG2 GLU 13 107.938 16.728 10.317 6 HG3 GLU 13 HG3 GLU 13 106.257 17.200 10.097 No H/Q in entry = 6 In of MODEL 6 1 H ALA 14 H ALA 14 104.418 14.294 12.989 2 HA ALA 14 HA ALA 14 105.878 12.990 15.041 3 HB1 ALA 14 HB1 ALA 14 102.927 13.302 14.509 4 HB2 ALA 14 HB2 ALA 14 103.914 14.227 15.636 5 HB3 ALA 14 HB3 ALA 14 103.580 12.526 15.951 No H/Q in entry = 5 In of MODEL 6 1 H PHE 15 H PHE 15 103.888 12.066 12.350 2 HA PHE 15 HA PHE 15 103.515 9.331 12.897 3 HB2 PHE 15 HB2 PHE 15 102.320 10.786 11.249 4 HB3 PHE 15 HB3 PHE 15 103.754 10.746 10.243 5 HD1 PHE 15 HD1 PHE 15 104.263 8.880 8.903 6 HD2 PHE 15 HD2 PHE 15 101.036 8.718 11.713 7 HE1 PHE 15 HE1 PHE 15 103.372 6.854 7.779 8 HE2 PHE 15 HE2 PHE 15 100.171 6.670 10.626 9 HZ PHE 15 HZ PHE 15 101.343 5.754 8.649 No H/Q in entry = 9 In of MODEL 6 1 H LEU 16 H LEU 16 105.964 10.983 10.900 2 HA LEU 16 HA LEU 16 107.365 8.533 10.332 3 HB2 LEU 16 HB2 LEU 16 108.242 11.420 10.108 4 HB3 LEU 16 HB3 LEU 16 109.262 10.064 9.668 5 HG LEU 16 HG LEU 16 107.183 9.357 8.185 6 HD11 LEU 16 HD11 LEU 16 106.717 12.292 8.732 7 HD12 LEU 16 HD12 LEU 16 106.240 11.582 7.195 8 HD13 LEU 16 HD13 LEU 16 105.542 10.979 8.701 9 HD21 LEU 16 HD21 LEU 16 109.235 11.484 7.607 10 HD22 LEU 16 HD22 LEU 16 109.275 9.772 7.205 11 HD23 LEU 16 HD23 LEU 16 108.171 10.844 6.361 No H/Q in entry = 11 In of MODEL 6 1 H THR 17 H THR 17 107.687 11.118 12.665 2 HA THR 17 HA THR 17 110.151 10.317 13.764 3 HB THR 17 HB THR 17 107.842 11.746 15.087 4 HG1 THR 17 HG1 THR 17 109.720 12.427 13.270 5 HG21 THR 17 HG21 THR 17 110.701 11.289 15.897 6 HG22 THR 17 HG22 THR 17 109.694 12.571 16.575 7 HG23 THR 17 HG23 THR 17 109.239 10.885 16.798 No H/Q in entry = 7 In of MODEL 6 1 H GLU 18 H GLU 18 106.825 9.428 14.559 2 HA GLU 18 HA GLU 18 107.609 7.714 16.678 3 HB2 GLU 18 HB2 GLU 18 105.432 8.833 16.683 4 HB3 GLU 18 HB3 GLU 18 104.979 7.915 15.254 5 HG2 GLU 18 HG2 GLU 18 105.091 5.831 16.443 6 HG3 GLU 18 HG3 GLU 18 105.818 6.610 17.851 No H/Q in entry = 6 In of MODEL 6 1 H ASN 19 H ASN 19 106.475 7.195 13.345 2 HA ASN 19 HA ASN 19 106.405 4.396 13.451 3 HB2 ASN 19 HB2 ASN 19 105.465 5.807 11.642 4 HB3 ASN 19 HB3 ASN 19 107.098 6.071 11.047 5 HD21 ASN 19 HD21 ASN 19 107.497 4.734 9.337 6 HD22 ASN 19 HD22 ASN 19 106.960 3.131 9.194 No H/Q in entry = 6 In of MODEL 6 1 H LYS 20 H LYS 20 109.146 6.455 12.496 2 HA LYS 20 HA LYS 20 110.826 4.332 11.720 3 HB2 LYS 20 HB2 LYS 20 112.707 5.832 12.144 4 HB3 LYS 20 HB3 LYS 20 111.422 6.682 11.291 5 HG2 LYS 20 HG2 LYS 20 110.599 7.432 13.603 6 HG3 LYS 20 HG3 LYS 20 112.113 6.805 14.235 7 HD2 LYS 20 HD2 LYS 20 111.937 8.887 12.040 8 HD3 LYS 20 HD3 LYS 20 112.203 9.261 13.744 9 HE2 LYS 20 HE2 LYS 20 114.196 7.625 13.603 10 HE3 LYS 20 HE3 LYS 20 114.004 7.768 11.862 11 HZ1 LYS 20 HZ1 LYS 20 114.177 10.197 12.116 12 HZ2 LYS 20 HZ2 LYS 20 114.510 9.976 13.767 13 HZ3 LYS 20 HZ3 LYS 20 115.583 9.379 12.594 No H/Q in entry = 13 In of MODEL 6 1 H ASN 21 H ASN 21 109.946 5.619 14.831 2 HA ASN 21 HA ASN 21 111.945 4.171 16.308 3 HB2 ASN 21 HB2 ASN 21 109.553 5.817 17.028 4 HB3 ASN 21 HB3 ASN 21 110.389 4.884 18.259 5 HD21 ASN 21 HD21 ASN 21 110.296 7.917 16.899 6 HD22 ASN 21 HD22 ASN 21 111.888 8.414 17.217 No H/Q in entry = 6 In of MODEL 6 1 H LYS 22 H LYS 22 108.584 3.623 15.411 2 HA LYS 22 HA LYS 22 108.006 1.632 17.207 3 HB2 LYS 22 HB2 LYS 22 107.004 2.164 14.450 4 HB3 LYS 22 HB3 LYS 22 106.356 0.853 15.415 5 HG2 LYS 22 HG2 LYS 22 106.130 2.810 17.257 6 HG3 LYS 22 HG3 LYS 22 106.102 3.816 15.819 7 HD2 LYS 22 HD2 LYS 22 104.268 1.440 16.223 8 HD3 LYS 22 HD3 LYS 22 103.835 3.102 16.628 9 HE2 LYS 22 HE2 LYS 22 104.148 3.799 14.324 10 HE3 LYS 22 HE3 LYS 22 104.745 2.194 13.891 11 HZ1 LYS 22 HZ1 LYS 22 102.068 2.585 15.082 12 HZ2 LYS 22 HZ2 LYS 22 102.318 2.714 13.408 13 HZ3 LYS 22 HZ3 LYS 22 102.649 1.252 14.207 No H/Q in entry = 13 In of MODEL 6 1 HA PRO 23 HA PRO 23 110.687 -1.765 16.091 2 HB2 PRO 23 HB2 PRO 23 108.458 -3.587 16.866 3 HB3 PRO 23 HB3 PRO 23 110.134 -3.542 17.445 4 HG2 PRO 23 HG2 PRO 23 108.111 -2.655 18.943 5 HG3 PRO 23 HG3 PRO 23 109.708 -1.883 18.965 6 HD2 PRO 23 HD2 PRO 23 107.176 -0.930 17.666 7 HD3 PRO 23 HD3 PRO 23 108.485 -0.010 18.443 No H/Q in entry = 7 In of MODEL 6 1 H GLY 24 H GLY 24 111.021 -3.222 14.457 2 HA2 GLY 24 HA2 GLY 24 108.887 -4.083 12.703 3 HA3 GLY 24 HA3 GLY 24 110.585 -4.537 12.591 No H/Q in entry = 3 In of MODEL 6 1 H VAL 25 H VAL 25 109.825 -1.200 12.941 2 HA VAL 25 HA VAL 25 109.780 -0.685 10.076 3 HB VAL 25 HB VAL 25 109.895 1.256 12.393 No H/Q in entry = 3 In of MODEL 6 1 H VAL 26 H VAL 26 111.447 0.017 8.900 2 HA VAL 26 HA VAL 26 114.045 0.566 10.236 3 HB VAL 26 HB VAL 26 113.450 -0.951 7.690 No H/Q in entry = 3 In of MODEL 6 1 H VAL 27 H VAL 27 114.632 2.634 9.936 2 HA VAL 27 HA VAL 27 113.362 4.132 7.778 3 HB VAL 27 HB VAL 27 113.104 5.119 9.986 No H/Q in entry = 3 In of MODEL 6 1 H LEU 28 H LEU 28 114.334 5.333 6.307 2 HA LEU 28 HA LEU 28 117.176 4.668 5.856 3 HB2 LEU 28 HB2 LEU 28 115.033 5.446 3.876 4 HB3 LEU 28 HB3 LEU 28 116.686 5.103 3.458 5 HG LEU 28 HG LEU 28 114.767 3.116 4.701 6 HD11 LEU 28 HD11 LEU 28 114.373 3.878 2.294 7 HD12 LEU 28 HD12 LEU 28 115.945 3.199 1.917 8 HD13 LEU 28 HD13 LEU 28 114.651 2.154 2.492 9 HD21 LEU 28 HD21 LEU 28 117.643 2.946 3.748 10 HD22 LEU 28 HD22 LEU 28 117.021 2.529 5.343 11 HD23 LEU 28 HD23 LEU 28 116.621 1.526 3.956 No H/Q in entry = 11 In of MODEL 6 1 HA PRO 29 HA PRO 29 118.365 8.877 6.012 2 HB2 PRO 29 HB2 PRO 29 119.593 8.747 3.313 3 HB3 PRO 29 HB3 PRO 29 120.345 9.153 4.866 4 HG2 PRO 29 HG2 PRO 29 120.807 6.816 3.713 5 HG3 PRO 29 HG3 PRO 29 120.597 6.928 5.471 6 HD2 PRO 29 HD2 PRO 29 118.639 6.038 3.395 7 HD3 PRO 29 HD3 PRO 29 118.986 5.318 4.977 No H/Q in entry = 7 In of MODEL 6 1 H SER 30 H SER 30 116.861 7.784 3.052 2 HA SER 30 HA SER 30 116.130 10.322 2.010 3 HB2 SER 30 HB2 SER 30 114.634 7.727 1.568 4 HB3 SER 30 HB3 SER 30 114.774 9.110 0.473 5 HG SER 30 HG SER 30 117.183 8.054 1.261 No H/Q in entry = 5 In of MODEL 6 1 H GLY 31 H GLY 31 115.130 8.550 4.671 2 HA2 GLY 31 HA2 GLY 31 112.873 10.349 5.144 3 HA3 GLY 31 HA3 GLY 31 113.629 9.286 6.324 No H/Q in entry = 3 In of MODEL 6 1 H LEU 32 H LEU 32 113.295 7.517 3.569 2 HA LEU 32 HA LEU 32 110.515 6.836 3.825 3 HB2 LEU 32 HB2 LEU 32 111.656 6.710 1.643 4 HB3 LEU 32 HB3 LEU 32 112.743 5.497 2.266 5 HG LEU 32 HG LEU 32 110.776 4.709 0.809 6 HD11 LEU 32 HD11 LEU 32 112.164 3.264 2.358 7 HD12 LEU 32 HD12 LEU 32 110.822 3.366 3.473 8 HD13 LEU 32 HD13 LEU 32 110.584 2.656 1.895 9 HD21 LEU 32 HD21 LEU 32 109.106 6.127 1.956 10 HD22 LEU 32 HD22 LEU 32 108.622 4.451 1.845 11 HD23 LEU 32 HD23 LEU 32 109.203 5.086 3.364 No H/Q in entry = 11 In of MODEL 6 1 H GLN 33 H GLN 33 109.674 5.197 5.040 2 HA GLN 33 HA GLN 33 111.573 3.444 6.490 3 HB2 GLN 33 HB2 GLN 33 108.977 4.654 7.426 4 HB3 GLN 33 HB3 GLN 33 109.895 3.466 8.321 5 HG2 GLN 33 HG2 GLN 33 110.877 5.301 9.262 6 HG3 GLN 33 HG3 GLN 33 111.801 5.320 7.799 7 HE21 GLN 33 HE21 GLN 33 111.410 7.677 9.203 8 HE22 GLN 33 HE22 GLN 33 110.425 8.684 8.264 No H/Q in entry = 8 In of MODEL 6 1 H TYR 34 H TYR 34 111.178 1.304 6.513 2 HA TYR 34 HA TYR 34 108.565 0.369 5.569 3 HB2 TYR 34 HB2 TYR 34 109.573 -1.329 4.157 4 HB3 TYR 34 HB3 TYR 34 110.055 0.273 3.627 5 HD1 TYR 34 HD1 TYR 34 111.144 -2.595 5.706 6 HD2 TYR 34 HD2 TYR 34 112.365 0.848 3.464 7 HE1 TYR 34 HE1 TYR 34 113.509 -3.284 5.961 8 HE2 TYR 34 HE2 TYR 34 114.739 0.163 3.712 9 HH TYR 34 HH TYR 34 115.760 -2.716 4.391 No H/Q in entry = 9 In of MODEL 6 1 H LYS 35 H LYS 35 107.787 -1.412 6.399 2 HA LYS 35 HA LYS 35 109.372 -2.721 8.500 3 HB2 LYS 35 HB2 LYS 35 107.632 -1.245 9.406 4 HB3 LYS 35 HB3 LYS 35 106.409 -2.137 8.531 5 HG2 LYS 35 HG2 LYS 35 108.178 -3.817 10.145 6 HG3 LYS 35 HG3 LYS 35 107.281 -2.670 11.111 7 HD2 LYS 35 HD2 LYS 35 105.193 -3.470 10.020 8 HD3 LYS 35 HD3 LYS 35 106.148 -4.691 9.177 9 HE2 LYS 35 HE2 LYS 35 105.131 -5.591 11.247 10 HE3 LYS 35 HE3 LYS 35 106.887 -5.614 11.306 11 HZ1 LYS 35 HZ1 LYS 35 105.270 -3.398 12.412 12 HZ2 LYS 35 HZ2 LYS 35 105.746 -4.736 13.339 13 HZ3 LYS 35 HZ3 LYS 35 106.920 -3.712 12.666 No H/Q in entry = 13 In of MODEL 6 1 H VAL 36 H VAL 36 109.514 -4.818 8.351 2 HA VAL 36 HA VAL 36 108.155 -6.108 6.116 3 HB VAL 36 HB VAL 36 110.485 -6.514 6.245 No H/Q in entry = 3 In of MODEL 6 1 H ILE 37 H ILE 37 106.170 -6.666 6.471 2 HA ILE 37 HA ILE 37 105.150 -7.599 8.969 3 HB ILE 37 HB ILE 37 103.914 -8.144 6.268 4 HD11 ILE 37 HD11 ILE 37 104.116 -5.721 8.980 5 HD12 ILE 37 HD12 ILE 37 104.028 -4.274 8.009 6 HD13 ILE 37 HD13 ILE 37 102.566 -5.169 8.404 No H/Q in entry = 6 In of MODEL 6 1 H ASN 38 H ASN 38 106.230 -9.059 5.983 2 HA ASN 38 HA ASN 38 106.638 -11.627 7.331 3 HB2 ASN 38 HB2 ASN 38 105.069 -11.227 4.799 4 HB3 ASN 38 HB3 ASN 38 105.631 -12.774 5.357 5 HD21 ASN 38 HD21 ASN 38 103.392 -10.118 6.141 6 HD22 ASN 38 HD22 ASN 38 102.469 -11.013 7.247 No H/Q in entry = 6 In of MODEL 6 1 H SER 39 H SER 39 108.648 -12.342 6.838 2 HA SER 39 HA SER 39 110.140 -11.034 4.707 3 HB2 SER 39 HB2 SER 39 112.044 -11.859 5.693 4 HB3 SER 39 HB3 SER 39 110.977 -11.773 7.094 5 HG SER 39 HG SER 39 111.466 -14.044 5.450 No H/Q in entry = 5 In of MODEL 6 1 H GLY 40 H GLY 40 110.474 -11.831 2.753 2 HA2 GLY 40 HA2 GLY 40 109.508 -13.292 1.054 3 HA3 GLY 40 HA3 GLY 40 109.729 -14.630 2.171 No H/Q in entry = 3 In of MODEL 6 1 H ASN 41 H ASN 41 111.969 -11.992 1.547 2 HA ASN 41 HA ASN 41 114.121 -11.943 0.754 3 HB2 ASN 41 HB2 ASN 41 114.148 -14.850 1.547 4 HB3 ASN 41 HB3 ASN 41 115.539 -13.777 1.388 5 HD21 ASN 41 HD21 ASN 41 113.190 -11.815 2.578 6 HD22 ASN 41 HD22 ASN 41 113.443 -12.006 4.247 No H/Q in entry = 6 In of MODEL 6 1 H GLY 42 H GLY 42 111.947 -12.611 -1.104 2 HA2 GLY 42 HA2 GLY 42 111.577 -13.747 -3.125 3 HA3 GLY 42 HA3 GLY 42 113.151 -14.500 -2.979 No H/Q in entry = 3 In of MODEL 6 1 H VAL 43 H VAL 43 112.141 -13.440 -5.266 2 HA VAL 43 HA VAL 43 114.224 -11.697 -6.112 3 HB VAL 43 HB VAL 43 113.154 -11.789 -8.286 No H/Q in entry = 3 In of MODEL 6 1 H LYS 44 H LYS 44 113.292 -9.790 -7.604 2 HA LYS 44 HA LYS 44 111.100 -8.317 -6.861 3 HB2 LYS 44 HB2 LYS 44 111.801 -6.662 -5.306 4 HB3 LYS 44 HB3 LYS 44 112.224 -8.189 -4.609 5 HG2 LYS 44 HG2 LYS 44 114.332 -6.814 -6.231 6 HG3 LYS 44 HG3 LYS 44 113.939 -6.135 -4.669 7 HD2 LYS 44 HD2 LYS 44 114.368 -9.100 -4.781 8 HD3 LYS 44 HD3 LYS 44 115.791 -8.075 -4.950 9 HE2 LYS 44 HE2 LYS 44 115.454 -7.097 -2.798 10 HE3 LYS 44 HE3 LYS 44 113.806 -7.692 -2.691 11 HZ1 LYS 44 HZ1 LYS 44 115.989 -9.619 -3.023 12 HZ2 LYS 44 HZ2 LYS 44 115.757 -8.916 -1.496 13 HZ3 LYS 44 HZ3 LYS 44 114.502 -9.796 -2.228 No H/Q in entry = 13 In of MODEL 6 1 HA PRO 45 HA PRO 45 112.646 -6.078 -10.287 2 HB2 PRO 45 HB2 PRO 45 110.890 -3.993 -10.330 3 HB3 PRO 45 HB3 PRO 45 110.434 -5.657 -10.697 4 HG2 PRO 45 HG2 PRO 45 109.823 -4.013 -8.337 5 HG3 PRO 45 HG3 PRO 45 109.042 -5.466 -8.949 6 HD2 PRO 45 HD2 PRO 45 110.919 -5.266 -6.787 7 HD3 PRO 45 HD3 PRO 45 110.040 -6.706 -7.377 No H/Q in entry = 7 In of MODEL 6 1 H GLY 46 H GLY 46 113.675 -4.273 -11.167 2 HA2 GLY 46 HA2 GLY 46 115.428 -2.706 -10.975 3 HA3 GLY 46 HA3 GLY 46 115.076 -2.560 -9.258 No H/Q in entry = 3 In of MODEL 6 1 H LYS 47 H LYS 47 115.350 -0.239 -10.191 2 HA LYS 47 HA LYS 47 112.925 1.064 -9.938 3 HB2 LYS 47 HB2 LYS 47 114.022 3.063 -10.781 4 HB3 LYS 47 HB3 LYS 47 115.028 2.240 -9.601 5 HG2 LYS 47 HG2 LYS 47 115.342 1.722 -12.579 6 HG3 LYS 47 HG3 LYS 47 116.099 3.109 -11.825 7 HD2 LYS 47 HD2 LYS 47 117.839 1.675 -11.469 8 HD3 LYS 47 HD3 LYS 47 116.915 1.155 -10.085 9 HE2 LYS 47 HE2 LYS 47 117.099 -0.903 -10.981 10 HE3 LYS 47 HE3 LYS 47 115.938 -0.415 -12.198 11 HZ1 LYS 47 HZ1 LYS 47 118.874 -0.061 -12.392 12 HZ2 LYS 47 HZ2 LYS 47 117.987 -1.298 -13.145 13 HZ3 LYS 47 HZ3 LYS 47 117.739 0.322 -13.594 No H/Q in entry = 13 In of MODEL 6 1 H SER 48 H SER 48 114.298 -0.445 -12.681 2 HA SER 48 HA SER 48 112.375 0.932 -14.465 3 HB2 SER 48 HB2 SER 48 114.938 -0.559 -14.953 4 HB3 SER 48 HB3 SER 48 113.838 -0.145 -16.265 5 HG SER 48 HG SER 48 114.738 1.759 -14.377 No H/Q in entry = 5 In of MODEL 6 1 H ASP 49 H ASP 49 112.686 -1.992 -12.793 2 HA ASP 49 HA ASP 49 111.464 -3.678 -14.847 3 HB2 ASP 49 HB2 ASP 49 112.146 -4.117 -11.979 4 HB3 ASP 49 HB3 ASP 49 111.447 -5.344 -12.992 No H/Q in entry = 4 In of MODEL 6 1 H THR 50 H THR 50 109.447 -4.956 -14.136 2 HA THR 50 HA THR 50 107.507 -3.072 -12.933 3 HB THR 50 HB THR 50 106.796 -5.257 -14.867 4 HG1 THR 50 HG1 THR 50 107.739 -2.677 -15.240 5 HG21 THR 50 HG21 THR 50 105.359 -2.845 -13.788 6 HG22 THR 50 HG22 THR 50 104.788 -3.815 -15.143 7 HG23 THR 50 HG23 THR 50 104.953 -4.557 -13.553 No H/Q in entry = 7 In of MODEL 6 1 H VAL 51 H VAL 51 106.009 -3.762 -11.495 2 HA VAL 51 HA VAL 51 106.582 -6.381 -10.238 3 HB VAL 51 HB VAL 51 107.505 -4.275 -9.154 No H/Q in entry = 3 In of MODEL 6 1 H THR 52 H THR 52 104.885 -7.194 -8.790 2 HA THR 52 HA THR 52 102.145 -6.230 -9.477 3 HB THR 52 HB THR 52 103.105 -9.095 -9.353 4 HG1 THR 52 HG1 THR 52 101.991 -7.553 -11.450 5 HG21 THR 52 HG21 THR 52 100.371 -7.862 -9.408 6 HG22 THR 52 HG22 THR 52 100.657 -9.420 -10.176 7 HG23 THR 52 HG23 THR 52 100.970 -9.229 -8.461 No H/Q in entry = 7 In of MODEL 6 1 H VAL 53 H VAL 53 101.119 -5.632 -7.609 2 HA VAL 53 HA VAL 53 101.641 -7.171 -5.126 3 HB VAL 53 HB VAL 53 102.171 -5.141 -3.918 No H/Q in entry = 3 In of MODEL 6 1 H GLU 54 H GLU 54 100.272 -6.527 -3.282 2 HA GLU 54 HA GLU 54 97.691 -5.232 -4.080 3 HB2 GLU 54 HB2 GLU 54 97.754 -7.101 -1.708 4 HB3 GLU 54 HB3 GLU 54 96.418 -6.602 -2.714 5 HG2 GLU 54 HG2 GLU 54 96.729 -8.230 -4.248 6 HG3 GLU 54 HG3 GLU 54 98.458 -8.218 -4.126 No H/Q in entry = 6 In of MODEL 6 1 H TYR 55 H TYR 55 96.908 -3.647 -2.463 2 HA TYR 55 HA TYR 55 98.522 -3.279 -0.068 3 HB2 TYR 55 HB2 TYR 55 99.311 -1.038 -0.851 4 HB3 TYR 55 HB3 TYR 55 99.974 -2.401 -1.765 5 HD1 TYR 55 HD1 TYR 55 97.397 0.251 -1.774 6 HD2 TYR 55 HD2 TYR 55 99.354 -2.778 -4.079 7 HE1 TYR 55 HE1 TYR 55 96.273 1.092 -3.806 8 HE2 TYR 55 HE2 TYR 55 98.238 -1.924 -6.115 9 HH TYR 55 HH TYR 55 97.178 0.092 -6.945 No H/Q in entry = 9 In of MODEL 6 1 H THR 56 H THR 56 98.031 -1.249 1.091 2 HA THR 56 HA THR 56 95.459 -0.028 0.491 3 HB THR 56 HB THR 56 96.101 -1.385 3.040 4 HG1 THR 56 HG1 THR 56 94.149 -1.316 1.151 5 HG21 THR 56 HG21 THR 56 95.773 1.013 3.684 6 HG22 THR 56 HG22 THR 56 94.230 0.989 2.837 7 HG23 THR 56 HG23 THR 56 94.474 -0.019 4.260 No H/Q in entry = 7 In of MODEL 6 1 H GLY 57 H GLY 57 95.531 2.155 0.512 2 HA2 GLY 57 HA2 GLY 57 97.175 3.981 0.263 3 HA3 GLY 57 HA3 GLY 57 97.966 3.378 1.710 No H/Q in entry = 3 In of MODEL 6 1 H ARG 58 H ARG 58 97.692 4.916 3.261 2 HA ARG 58 HA ARG 58 95.167 6.355 3.385 3 HB2 ARG 58 HB2 ARG 58 94.537 5.676 5.512 4 HB3 ARG 58 HB3 ARG 58 95.110 4.177 4.787 5 HG2 ARG 58 HG2 ARG 58 97.248 4.352 5.911 6 HG3 ARG 58 HG3 ARG 58 96.860 5.941 6.543 7 HD2 ARG 58 HD2 ARG 58 96.431 4.535 8.346 8 HD3 ARG 58 HD3 ARG 58 94.840 4.794 7.645 9 HE ARG 58 HE ARG 58 96.009 2.516 6.446 10 HH11 ARG 58 HH11 ARG 58 94.670 3.629 9.443 11 HH12 ARG 58 HH12 ARG 58 94.169 2.052 9.956 12 HH21 ARG 58 HH21 ARG 58 95.344 0.462 7.110 13 HH22 ARG 58 HH22 ARG 58 94.537 0.262 8.629 No H/Q in entry = 13 In of MODEL 6 1 H LEU 59 H LEU 59 95.151 7.999 5.058 2 HA LEU 59 HA LEU 59 97.598 9.556 4.991 3 HB2 LEU 59 HB2 LEU 59 94.756 9.976 5.648 4 HB3 LEU 59 HB3 LEU 59 95.849 10.984 6.561 5 HG LEU 59 HG LEU 59 96.898 11.597 4.293 6 HD11 LEU 59 HD11 LEU 59 95.783 9.810 2.990 7 HD12 LEU 59 HD12 LEU 59 94.234 10.521 3.354 8 HD13 LEU 59 HD13 LEU 59 95.378 11.406 2.385 9 HD21 LEU 59 HD21 LEU 59 95.360 13.042 5.705 10 HD22 LEU 59 HD22 LEU 59 95.371 13.394 3.982 11 HD23 LEU 59 HD23 LEU 59 94.045 12.499 4.680 No H/Q in entry = 11 In of MODEL 6 1 H ILE 60 H ILE 60 98.373 10.596 6.992 2 HA ILE 60 HA ILE 60 99.079 8.718 8.988 3 HB ILE 60 HB ILE 60 100.099 10.522 10.119 4 HD11 ILE 60 HD11 ILE 60 98.957 12.773 7.345 5 HD12 ILE 60 HD12 ILE 60 97.457 12.016 7.865 6 HD13 ILE 60 HD13 ILE 60 97.810 13.650 8.357 No H/Q in entry = 6 In of MODEL 6 1 H ASP 61 H ASP 61 96.466 10.765 8.504 2 HA ASP 61 HA ASP 61 95.477 10.762 11.233 3 HB2 ASP 61 HB2 ASP 61 95.421 12.747 9.707 4 HB3 ASP 61 HB3 ASP 61 94.212 11.896 8.739 No H/Q in entry = 4 In of MODEL 6 1 H GLY 62 H GLY 62 95.383 8.558 8.789 2 HA2 GLY 62 HA2 GLY 62 93.006 7.283 9.931 3 HA3 GLY 62 HA3 GLY 62 94.186 6.545 8.876 No H/Q in entry = 3 In of MODEL 6 1 H THR 63 H THR 63 93.428 9.471 7.479 2 HA THR 63 HA THR 63 90.881 8.795 6.297 3 HB THR 63 HB THR 63 92.860 10.702 5.083 4 HG1 THR 63 HG1 THR 63 91.985 12.264 6.480 5 HG21 THR 63 HG21 THR 63 90.719 10.088 3.944 6 HG22 THR 63 HG22 THR 63 89.868 10.814 5.299 7 HG23 THR 63 HG23 THR 63 90.906 11.811 4.283 No H/Q in entry = 7 In of MODEL 6 1 H VAL 64 H VAL 64 90.834 6.895 5.165 2 HA VAL 64 HA VAL 64 93.014 6.082 3.485 3 HB VAL 64 HB VAL 64 90.234 4.955 3.710 No H/Q in entry = 3 In of MODEL 6 1 H PHE 65 H PHE 65 93.440 6.541 1.527 2 HA PHE 65 HA PHE 65 91.319 7.816 -0.117 3 HB2 PHE 65 HB2 PHE 65 92.913 9.282 -1.033 4 HB3 PHE 65 HB3 PHE 65 93.106 9.325 0.715 5 HD1 PHE 65 HD1 PHE 65 94.914 7.982 1.795 6 HD2 PHE 65 HD2 PHE 65 94.745 8.636 -2.443 7 HE1 PHE 65 HE1 PHE 65 97.326 7.444 1.623 8 HE2 PHE 65 HE2 PHE 65 97.161 8.091 -2.620 9 HZ PHE 65 HZ PHE 65 98.448 7.509 -0.574 No H/Q in entry = 9 In of MODEL 6 1 H ASP 66 H ASP 66 93.431 5.232 0.167 2 HA ASP 66 HA ASP 66 92.724 4.324 -2.495 3 HB2 ASP 66 HB2 ASP 66 94.867 5.679 -2.726 4 HB3 ASP 66 HB3 ASP 66 95.642 4.424 -1.759 No H/Q in entry = 4 In of MODEL 6 1 H SER 67 H SER 67 92.745 2.079 -2.719 2 HA SER 67 HA SER 67 94.066 0.456 -0.771 3 HB2 SER 67 HB2 SER 67 92.249 -0.471 0.364 4 HB3 SER 67 HB3 SER 67 91.914 1.258 0.335 5 HG SER 67 HG SER 67 90.940 0.301 -1.893 No H/Q in entry = 5 In of MODEL 6 1 H THR 68 H THR 68 93.990 -1.788 -1.098 2 HA THR 68 HA THR 68 92.726 -2.853 -3.480 3 HB THR 68 HB THR 68 95.742 -2.730 -3.343 4 HG1 THR 68 HG1 THR 68 94.806 -1.654 -5.535 5 HG21 THR 68 HG21 THR 68 93.794 -3.948 -5.295 6 HG22 THR 68 HG22 THR 68 95.498 -3.690 -5.668 7 HG23 THR 68 HG23 THR 68 95.036 -4.771 -4.360 No H/Q in entry = 7 In of MODEL 6 1 H GLU 69 H GLU 69 95.242 -3.339 -1.003 2 HA GLU 69 HA GLU 69 95.220 -6.151 -1.043 3 HB2 GLU 69 HB2 GLU 69 96.235 -6.062 1.150 4 HB3 GLU 69 HB3 GLU 69 96.960 -4.933 0.028 5 HG2 GLU 69 HG2 GLU 69 96.761 -3.563 1.845 6 HG3 GLU 69 HG3 GLU 69 95.253 -3.251 1.016 No H/Q in entry = 6 In of MODEL 6 1 H LYS 70 H LYS 70 92.996 -3.870 0.283 2 HA LYS 70 HA LYS 70 91.669 -5.341 2.206 3 HB2 LYS 70 HB2 LYS 70 90.488 -3.571 0.068 4 HB3 LYS 70 HB3 LYS 70 89.654 -4.070 1.542 5 HG2 LYS 70 HG2 LYS 70 92.300 -2.643 1.554 6 HG3 LYS 70 HG3 LYS 70 90.769 -1.772 1.596 7 HD2 LYS 70 HD2 LYS 70 90.188 -3.194 3.644 8 HD3 LYS 70 HD3 LYS 70 91.868 -3.700 3.662 9 HE2 LYS 70 HE2 LYS 70 92.648 -1.451 3.906 10 HE3 LYS 70 HE3 LYS 70 91.022 -0.802 3.690 11 HZ1 LYS 70 HZ1 LYS 70 91.419 -2.758 5.822 12 HZ2 LYS 70 HZ2 LYS 70 92.067 -1.212 6.063 13 HZ3 LYS 70 HZ3 LYS 70 90.405 -1.397 5.769 No H/Q in entry = 13 In of MODEL 6 1 H THR 71 H THR 71 91.511 -5.404 -1.262 2 HA THR 71 HA THR 71 89.633 -7.603 -1.442 3 HB THR 71 HB THR 71 89.820 -7.312 -3.775 4 HG1 THR 71 HG1 THR 71 92.115 -5.813 -3.137 5 HG21 THR 71 HG21 THR 71 88.611 -5.541 -2.492 6 HG22 THR 71 HG22 THR 71 90.080 -4.569 -2.540 7 HG23 THR 71 HG23 THR 71 89.241 -4.973 -4.038 No H/Q in entry = 7 In of MODEL 6 1 H GLY 72 H GLY 72 93.063 -6.995 -1.620 2 HA2 GLY 72 HA2 GLY 72 93.696 -9.781 -1.296 3 HA3 GLY 72 HA3 GLY 72 94.836 -8.445 -1.342 No H/Q in entry = 3 In of MODEL 6 1 H LYS 73 H LYS 73 93.192 -7.685 -3.900 2 HA LYS 73 HA LYS 73 94.250 -9.683 -5.761 3 HB2 LYS 73 HB2 LYS 73 92.344 -7.378 -5.994 4 HB3 LYS 73 HB3 LYS 73 92.987 -8.183 -7.431 5 HG2 LYS 73 HG2 LYS 73 91.943 -10.206 -6.939 6 HG3 LYS 73 HG3 LYS 73 91.771 -9.832 -5.222 7 HD2 LYS 73 HD2 LYS 73 90.110 -8.098 -5.764 8 HD3 LYS 73 HD3 LYS 73 90.262 -8.481 -7.480 9 HE2 LYS 73 HE2 LYS 73 89.211 -10.248 -5.271 10 HE3 LYS 73 HE3 LYS 73 88.328 -9.637 -6.668 11 HZ1 LYS 73 HZ1 LYS 73 90.636 -11.503 -6.786 12 HZ2 LYS 73 HZ2 LYS 73 89.008 -11.947 -6.959 13 HZ3 LYS 73 HZ3 LYS 73 89.738 -10.935 -8.112 No H/Q in entry = 13 In of MODEL 6 1 HA PRO 74 HA PRO 74 97.883 -7.091 -6.131 2 HB2 PRO 74 HB2 PRO 74 98.540 -8.842 -8.439 3 HB3 PRO 74 HB3 PRO 74 99.499 -8.441 -7.003 4 HG2 PRO 74 HG2 PRO 74 98.370 -10.819 -7.239 5 HG3 PRO 74 HG3 PRO 74 98.402 -9.976 -5.688 6 HD2 PRO 74 HD2 PRO 74 96.152 -10.221 -7.636 7 HD3 PRO 74 HD3 PRO 74 96.184 -10.410 -5.874 No H/Q in entry = 7 In of MODEL 6 1 H ALA 75 H ALA 75 98.717 -5.524 -7.402 2 HA ALA 75 HA ALA 75 97.407 -4.923 -9.989 3 HB1 ALA 75 HB1 ALA 75 96.795 -3.412 -7.914 4 HB2 ALA 75 HB2 ALA 75 97.133 -2.678 -9.482 5 HB3 ALA 75 HB3 ALA 75 98.377 -2.703 -8.237 No H/Q in entry = 5 In of MODEL 6 1 H THR 76 H THR 76 98.827 -3.924 -11.551 2 HA THR 76 HA THR 76 101.670 -4.416 -10.965 3 HB THR 76 HB THR 76 101.113 -5.718 -12.787 4 HG1 THR 76 HG1 THR 76 101.953 -4.624 -14.603 5 HG21 THR 76 HG21 THR 76 99.313 -3.423 -13.581 6 HG22 THR 76 HG22 THR 76 99.617 -4.806 -14.625 7 HG23 THR 76 HG23 THR 76 98.840 -5.037 -13.068 No H/Q in entry = 7 In of MODEL 6 1 H PHE 77 H PHE 77 103.204 -2.940 -11.083 2 HA PHE 77 HA PHE 77 102.689 -0.363 -12.389 3 HB2 PHE 77 HB2 PHE 77 103.985 -0.513 -9.659 4 HB3 PHE 77 HB3 PHE 77 103.641 0.922 -10.598 5 HD1 PHE 77 HD1 PHE 77 102.482 -1.232 -8.069 6 HD2 PHE 77 HD2 PHE 77 101.172 1.386 -11.205 7 HE1 PHE 77 HE1 PHE 77 100.263 -1.034 -6.973 8 HE2 PHE 77 HE2 PHE 77 98.969 1.604 -10.112 9 HZ PHE 77 HZ PHE 77 98.505 0.387 -8.002 No H/Q in entry = 9 In of MODEL 6 1 H GLN 78 H GLN 78 104.561 0.693 -12.935 2 HA GLN 78 HA GLN 78 106.949 -0.988 -13.117 3 HB2 GLN 78 HB2 GLN 78 106.188 1.600 -14.434 4 HB3 GLN 78 HB3 GLN 78 107.815 0.953 -14.501 5 HG2 GLN 78 HG2 GLN 78 106.902 -1.145 -15.429 6 HG3 GLN 78 HG3 GLN 78 105.314 -0.405 -15.497 7 HE21 GLN 78 HE21 GLN 78 107.251 2.109 -16.000 8 HE22 GLN 78 HE22 GLN 78 107.425 2.090 -17.685 No H/Q in entry = 8 In of MODEL 6 1 H VAL 79 H VAL 79 108.614 -0.647 -11.763 2 HA VAL 79 HA VAL 79 108.250 0.867 -9.480 3 HB VAL 79 HB VAL 79 110.922 0.143 -10.687 No H/Q in entry = 3 In of MODEL 6 1 H SER 80 H SER 80 109.565 1.817 -12.629 2 HA SER 80 HA SER 80 110.797 4.205 -11.686 3 HB2 SER 80 HB2 SER 80 111.623 3.383 -13.732 4 HB3 SER 80 HB3 SER 80 110.011 3.249 -14.416 5 HG SER 80 HG SER 80 111.165 5.111 -15.141 No H/Q in entry = 5 In of MODEL 6 1 H GLN 81 H GLN 81 107.580 3.383 -12.628 2 HA GLN 81 HA GLN 81 106.775 6.201 -12.887 3 HB2 GLN 81 HB2 GLN 81 105.059 3.745 -13.201 4 HB3 GLN 81 HB3 GLN 81 104.723 5.378 -13.767 5 HG2 GLN 81 HG2 GLN 81 107.054 3.707 -14.708 6 HG3 GLN 81 HG3 GLN 81 105.492 3.798 -15.529 7 HE21 GLN 81 HE21 GLN 81 108.576 5.220 -15.353 8 HE22 GLN 81 HE22 GLN 81 108.223 6.654 -16.188 No H/Q in entry = 8 In of MODEL 6 1 H VAL 82 H VAL 82 106.753 3.693 -10.492 2 HA VAL 82 HA VAL 82 104.292 4.560 -9.244 3 HB VAL 82 HB VAL 82 105.412 2.252 -9.231 No H/Q in entry = 3 In of MODEL 6 1 H ILE 83 H ILE 83 104.399 5.135 -6.725 2 HA ILE 83 HA ILE 83 105.536 7.637 -6.556 3 HB ILE 83 HB ILE 83 105.267 6.578 -3.861 4 HD11 ILE 83 HD11 ILE 83 103.284 6.082 -2.747 5 HD12 ILE 83 HD12 ILE 83 101.957 6.726 -3.718 6 HD13 ILE 83 HD13 ILE 83 102.142 4.985 -3.510 No H/Q in entry = 6 In of MODEL 6 1 HA PRO 84 HA PRO 84 109.892 7.182 -5.714 2 HB2 PRO 84 HB2 PRO 84 109.511 8.964 -3.339 3 HB3 PRO 84 HB3 PRO 84 110.685 9.104 -4.663 4 HG2 PRO 84 HG2 PRO 84 108.583 10.691 -4.556 5 HG3 PRO 84 HG3 PRO 84 109.125 10.021 -6.099 6 HD2 PRO 84 HD2 PRO 84 106.815 9.212 -4.421 7 HD3 PRO 84 HD3 PRO 84 106.927 9.277 -6.180 No H/Q in entry = 7 In of MODEL 6 1 H GLY 85 H GLY 85 107.948 7.300 -2.718 2 HA2 GLY 85 HA2 GLY 85 107.989 5.905 -0.876 3 HA3 GLY 85 HA3 GLY 85 109.739 5.919 -1.071 No H/Q in entry = 3 In of MODEL 6 1 H TRP 86 H TRP 86 107.110 4.794 -3.067 2 HA TRP 86 HA TRP 86 107.383 1.998 -2.635 3 HB2 TRP 86 HB2 TRP 86 106.039 3.800 -4.618 4 HB3 TRP 86 HB3 TRP 86 106.205 2.099 -5.037 5 HD1 TRP 86 HD1 TRP 86 104.913 4.115 -1.955 6 HE1 TRP 86 HE1 TRP 86 102.857 2.887 -1.057 7 HE3 TRP 86 HE3 TRP 86 104.872 0.168 -5.094 8 HZ2 TRP 86 HZ2 TRP 86 101.406 0.472 -1.605 9 HZ3 TRP 86 HZ3 TRP 86 103.175 -1.582 -4.890 10 HH2 TRP 86 HH2 TRP 86 101.423 -1.435 -3.153 No H/Q in entry = 10 In of MODEL 6 1 H THR 87 H THR 87 108.743 4.254 -5.001 2 HA THR 87 HA THR 87 109.832 2.526 -6.830 3 HB THR 87 HB THR 87 111.190 5.012 -5.803 4 HG1 THR 87 HG1 THR 87 109.120 4.686 -7.704 5 HG21 THR 87 HG21 THR 87 112.369 3.479 -7.476 6 HG22 THR 87 HG22 THR 87 111.101 3.941 -8.595 7 HG23 THR 87 HG23 THR 87 112.158 5.160 -7.951 No H/Q in entry = 7 In of MODEL 6 1 H GLU 88 H GLU 88 111.449 3.787 -3.934 2 HA GLU 88 HA GLU 88 113.736 2.113 -4.250 3 HB2 GLU 88 HB2 GLU 88 113.764 4.302 -3.087 4 HB3 GLU 88 HB3 GLU 88 112.815 3.590 -1.780 5 HG2 GLU 88 HG2 GLU 88 114.581 1.940 -1.365 6 HG3 GLU 88 HG3 GLU 88 115.525 2.589 -2.705 No H/Q in entry = 6 In of MODEL 6 1 H ALA 89 H ALA 89 110.845 1.906 -2.213 2 HA ALA 89 HA ALA 89 111.633 -0.212 -0.566 3 HB1 ALA 89 HB1 ALA 89 108.892 0.584 -1.533 4 HB2 ALA 89 HB2 ALA 89 109.692 1.093 -0.046 5 HB3 ALA 89 HB3 ALA 89 109.204 -0.584 -0.258 No H/Q in entry = 5 In of MODEL 6 1 H LEU 90 H LEU 90 109.783 -0.436 -3.652 2 HA LEU 90 HA LEU 90 109.345 -3.206 -3.586 3 HB2 LEU 90 HB2 LEU 90 109.882 -1.437 -5.979 4 HB3 LEU 90 HB3 LEU 90 109.189 -3.042 -6.045 5 HG LEU 90 HG LEU 90 107.955 -0.811 -4.425 6 HD11 LEU 90 HD11 LEU 90 107.631 -1.546 -7.314 7 HD12 LEU 90 HD12 LEU 90 106.377 -0.697 -6.455 8 HD13 LEU 90 HD13 LEU 90 107.973 0.021 -6.627 9 HD21 LEU 90 HD21 LEU 90 107.074 -3.523 -5.350 10 HD22 LEU 90 HD22 LEU 90 107.036 -2.867 -3.732 11 HD23 LEU 90 HD23 LEU 90 105.894 -2.301 -4.953 No H/Q in entry = 11 In of MODEL 6 1 H GLN 91 H GLN 91 112.039 -1.308 -4.786 2 HA GLN 91 HA GLN 91 113.518 -3.363 -5.963 3 HB2 GLN 91 HB2 GLN 91 114.386 -0.744 -4.759 4 HB3 GLN 91 HB3 GLN 91 115.399 -1.756 -5.788 5 HG2 GLN 91 HG2 GLN 91 113.804 -1.563 -7.612 6 HG3 GLN 91 HG3 GLN 91 112.695 -0.668 -6.584 7 HE21 GLN 91 HE21 GLN 91 112.750 1.406 -7.565 8 HE22 GLN 91 HE22 GLN 91 114.172 2.306 -7.783 No H/Q in entry = 8 In of MODEL 6 1 H LEU 92 H LEU 92 113.100 -2.404 -2.666 2 HA LEU 92 HA LEU 92 115.381 -4.071 -1.782 3 HB2 LEU 92 HB2 LEU 92 113.618 -2.173 -0.217 4 HB3 LEU 92 HB3 LEU 92 115.021 -3.030 0.412 5 HG LEU 92 HG LEU 92 115.131 -1.027 -1.850 6 HD11 LEU 92 HD11 LEU 92 115.849 -0.725 1.051 7 HD12 LEU 92 HD12 LEU 92 116.122 0.473 -0.214 8 HD13 LEU 92 HD13 LEU 92 114.480 0.031 0.236 9 HD21 LEU 92 HD21 LEU 92 117.195 -2.555 -0.309 10 HD22 LEU 92 HD22 LEU 92 116.991 -2.477 -2.058 11 HD23 LEU 92 HD23 LEU 92 117.586 -1.078 -1.177 No H/Q in entry = 11 In of MODEL 6 1 H MET 93 H MET 93 112.024 -4.063 -2.134 2 HA MET 93 HA MET 93 111.424 -5.846 0.034 3 HB2 MET 93 HB2 MET 93 109.872 -4.134 -0.830 4 HB3 MET 93 HB3 MET 93 109.767 -5.047 -2.335 5 HG2 MET 93 HG2 MET 93 109.029 -7.027 -0.946 6 HG3 MET 93 HG3 MET 93 108.877 -5.907 0.410 7 HE1 MET 93 HE1 MET 93 106.778 -6.801 0.638 8 HE2 MET 93 HE2 MET 93 105.977 -5.235 0.684 9 HE3 MET 93 HE3 MET 93 105.333 -6.520 -0.324 No H/Q in entry = 9 In of MODEL 6 1 HA PRO 94 HA PRO 94 112.492 -9.408 -2.695 2 HB2 PRO 94 HB2 PRO 94 112.144 -10.989 -0.238 3 HB3 PRO 94 HB3 PRO 94 113.561 -10.866 -1.291 4 HG2 PRO 94 HG2 PRO 94 113.551 -9.774 1.139 5 HG3 PRO 94 HG3 PRO 94 114.327 -8.960 -0.233 6 HD2 PRO 94 HD2 PRO 94 111.613 -8.454 0.939 7 HD3 PRO 94 HD3 PRO 94 112.889 -7.314 0.530 No H/Q in entry = 7 In of MODEL 6 1 H ALA 95 H ALA 95 111.259 -10.937 -3.682 2 HA ALA 95 HA ALA 95 108.466 -10.696 -3.488 3 HB1 ALA 95 HB1 ALA 95 110.179 -12.693 -4.914 4 HB2 ALA 95 HB2 ALA 95 108.414 -12.656 -5.037 5 HB3 ALA 95 HB3 ALA 95 109.364 -11.281 -5.587 No H/Q in entry = 5 In of MODEL 6 1 H GLY 96 H GLY 96 106.918 -11.765 -2.540 2 HA2 GLY 96 HA2 GLY 96 107.560 -14.230 -1.067 3 HA3 GLY 96 HA3 GLY 96 105.953 -13.618 -1.465 No H/Q in entry = 3 In of MODEL 6 1 H SER 97 H SER 97 108.239 -11.277 -0.427 2 HA SER 97 HA SER 97 107.477 -11.468 2.385 3 HB2 SER 97 HB2 SER 97 109.257 -10.038 2.808 4 HB3 SER 97 HB3 SER 97 109.823 -10.828 1.338 5 HG SER 97 HG SER 97 108.709 -9.012 0.238 No H/Q in entry = 5 In of MODEL 6 1 H THR 98 H THR 98 106.163 -10.079 3.435 2 HA THR 98 HA THR 98 104.737 -8.072 1.808 3 HB THR 98 HB THR 98 103.817 -9.419 4.348 4 HG1 THR 98 HG1 THR 98 102.439 -9.842 2.028 5 HG21 THR 98 HG21 THR 98 102.540 -7.482 2.400 6 HG22 THR 98 HG22 THR 98 101.645 -8.419 3.601 7 HG23 THR 98 HG23 THR 98 102.853 -7.250 4.120 No H/Q in entry = 7 In of MODEL 6 1 H TRP 99 H TRP 99 105.509 -6.092 2.154 2 HA TRP 99 HA TRP 99 106.367 -5.372 4.896 3 HB2 TRP 99 HB2 TRP 99 107.232 -4.150 2.267 4 HB3 TRP 99 HB3 TRP 99 107.691 -3.554 3.847 5 HD1 TRP 99 HD1 TRP 99 107.805 -7.225 4.041 6 HE1 TRP 99 HE1 TRP 99 110.196 -8.064 3.762 7 HE3 TRP 99 HE3 TRP 99 109.963 -2.968 2.267 8 HZ2 TRP 99 HZ2 TRP 99 112.731 -7.052 2.901 9 HZ3 TRP 99 HZ3 TRP 99 112.388 -2.930 1.739 10 HH2 TRP 99 HH2 TRP 99 113.771 -4.962 2.062 No H/Q in entry = 10 In of MODEL 6 1 H GLU 100 H GLU 100 106.096 -3.193 5.511 2 HA GLU 100 HA GLU 100 103.833 -1.761 4.276 3 HB2 GLU 100 HB2 GLU 100 104.473 -2.127 7.208 4 HB3 GLU 100 HB3 GLU 100 103.486 -0.788 6.628 5 HG2 GLU 100 HG2 GLU 100 101.898 -2.317 5.649 6 HG3 GLU 100 HG3 GLU 100 102.890 -3.693 6.070 No H/Q in entry = 6 In of MODEL 6 1 H ILE 101 H ILE 101 104.496 0.210 3.526 2 HA ILE 101 HA ILE 101 106.930 1.325 4.692 3 HB ILE 101 HB ILE 101 107.806 1.923 2.655 4 HD11 ILE 101 HD11 ILE 101 107.746 2.728 0.404 5 HD12 ILE 101 HD12 ILE 101 107.054 1.196 -0.121 6 HD13 ILE 101 HD13 ILE 101 106.259 2.704 -0.529 No H/Q in entry = 6 In of MODEL 6 1 H TYR 102 H TYR 102 107.021 3.300 5.298 2 HA TYR 102 HA TYR 102 104.542 4.905 5.182 3 HB2 TYR 102 HB2 TYR 102 106.879 5.089 7.089 4 HB3 TYR 102 HB3 TYR 102 105.366 5.930 7.247 5 HD1 TYR 102 HD1 TYR 102 106.283 2.287 6.610 6 HD2 TYR 102 HD2 TYR 102 104.119 5.079 9.045 7 HE1 TYR 102 HE1 TYR 102 105.364 0.434 7.874 8 HE2 TYR 102 HE2 TYR 102 103.200 3.196 10.352 9 HH TYR 102 HH TYR 102 103.502 -0.078 9.329 No H/Q in entry = 9 In of MODEL 6 1 H VAL 103 H VAL 103 104.812 6.099 3.400 2 HA VAL 103 HA VAL 103 107.373 7.049 2.591 3 HB VAL 103 HB VAL 103 104.767 7.609 1.282 No H/Q in entry = 3 In of MODEL 6 1 HA PRO 104 HA PRO 104 106.857 11.085 4.562 2 HB2 PRO 104 HB2 PRO 104 109.076 11.697 2.648 3 HB3 PRO 104 HB3 PRO 104 108.984 12.018 4.394 4 HG2 PRO 104 HG2 PRO 104 110.501 10.038 3.361 5 HG3 PRO 104 HG3 PRO 104 109.750 9.916 4.948 6 HD2 PRO 104 HD2 PRO 104 109.041 8.537 2.445 7 HD3 PRO 104 HD3 PRO 104 108.706 8.071 4.127 No H/Q in entry = 7 In of MODEL 6 1 H SER 105 H SER 105 105.736 12.870 3.829 2 HA SER 105 HA SER 105 104.217 12.766 1.567 3 HB2 SER 105 HB2 SER 105 103.714 15.096 1.917 4 HB3 SER 105 HB3 SER 105 103.991 14.385 3.505 5 HG SER 105 HG SER 105 105.206 16.442 2.484 No H/Q in entry = 5 In of MODEL 6 1 H GLY 106 H GLY 106 107.482 14.045 1.900 2 HA2 GLY 106 HA2 GLY 106 109.013 14.751 0.332 3 HA3 GLY 106 HA3 GLY 106 107.652 15.290 -0.643 No H/Q in entry = 3 In of MODEL 6 1 H LEU 107 H LEU 107 108.137 11.993 0.469 2 HA LEU 107 HA LEU 107 109.047 11.139 -2.205 3 HB2 LEU 107 HB2 LEU 107 108.912 9.614 0.409 4 HB3 LEU 107 HB3 LEU 107 109.544 8.972 -1.083 5 HG LEU 107 HG LEU 107 110.664 11.302 0.482 6 HD11 LEU 107 HD11 LEU 107 111.139 9.037 1.390 7 HD12 LEU 107 HD12 LEU 107 111.825 8.598 -0.170 8 HD13 LEU 107 HD13 LEU 107 112.589 9.848 0.801 9 HD21 LEU 107 HD21 LEU 107 111.232 10.282 -2.278 10 HD22 LEU 107 HD22 LEU 107 111.170 11.945 -1.704 11 HD23 LEU 107 HD23 LEU 107 112.561 10.934 -1.325 No H/Q in entry = 11 In of MODEL 6 1 H ALA 108 H ALA 108 106.132 11.622 -0.815 2 HA ALA 108 HA ALA 108 104.921 9.179 -1.926 3 HB1 ALA 108 HB1 ALA 108 103.642 11.219 -0.093 4 HB2 ALA 108 HB2 ALA 108 103.024 9.640 -0.547 5 HB3 ALA 108 HB3 ALA 108 104.430 9.770 0.475 No H/Q in entry = 5 In of MODEL 6 1 H TYR 109 H TYR 109 102.667 11.581 -1.434 2 HA TYR 109 HA TYR 109 102.452 12.046 -4.290 3 HB2 TYR 109 HB2 TYR 109 100.551 12.344 -1.977 4 HB3 TYR 109 HB3 TYR 109 100.184 13.013 -3.571 5 HD1 TYR 109 HD1 TYR 109 100.416 9.967 -1.636 6 HD2 TYR 109 HD2 TYR 109 100.278 11.546 -5.581 7 HE1 TYR 109 HE1 TYR 109 99.982 7.735 -2.506 8 HE2 TYR 109 HE2 TYR 109 99.917 9.308 -6.497 9 HH TYR 109 HH TYR 109 100.085 6.464 -4.386 No H/Q in entry = 9 In of MODEL 6 1 H GLY 110 H GLY 110 104.165 13.474 -2.016 2 HA2 GLY 110 HA2 GLY 110 103.932 16.096 -3.349 3 HA3 GLY 110 HA3 GLY 110 105.377 15.456 -2.603 No H/Q in entry = 3 In of MODEL 6 1 HA PRO 111 HA PRO 111 104.452 17.645 1.103 2 HB2 PRO 111 HB2 PRO 111 105.545 20.066 0.649 3 HB3 PRO 111 HB3 PRO 111 106.544 18.609 0.773 4 HG2 PRO 111 HG2 PRO 111 105.578 20.003 -1.688 5 HG3 PRO 111 HG3 PRO 111 107.203 19.405 -1.309 6 HD2 PRO 111 HD2 PRO 111 105.464 17.998 -2.851 7 HD3 PRO 111 HD3 PRO 111 106.638 17.199 -1.795 No H/Q in entry = 7 In of MODEL 6 1 H ARG 112 H ARG 112 103.136 18.470 -1.856 2 HA ARG 112 HA ARG 112 101.297 20.518 -0.768 3 HB2 ARG 112 HB2 ARG 112 102.741 20.966 -2.827 4 HB3 ARG 112 HB3 ARG 112 101.745 19.783 -3.669 5 HG2 ARG 112 HG2 ARG 112 99.727 21.097 -3.164 6 HG3 ARG 112 HG3 ARG 112 100.697 22.276 -2.281 7 HD2 ARG 112 HD2 ARG 112 102.034 22.553 -4.460 8 HD3 ARG 112 HD3 ARG 112 100.736 21.656 -5.236 9 HE ARG 112 HE ARG 112 99.299 23.488 -4.927 10 HH11 ARG 112 HH11 ARG 112 102.331 23.900 -3.312 11 HH12 ARG 112 HH12 ARG 112 102.112 25.595 -3.031 12 HH21 ARG 112 HH21 ARG 112 99.010 25.718 -4.579 13 HH22 ARG 112 HH22 ARG 112 100.232 26.624 -3.752 No H/Q in entry = 13 In of MODEL 6 1 H SER 113 H SER 113 99.028 20.349 -1.536 2 HA SER 113 HA SER 113 98.011 17.722 -1.104 3 HB2 SER 113 HB2 SER 113 96.400 19.986 -2.251 4 HB3 SER 113 HB3 SER 113 95.904 18.712 -1.140 5 HG SER 113 HG SER 113 97.915 20.566 -0.462 No H/Q in entry = 5 In of MODEL 6 1 H VAL 114 H VAL 114 98.874 16.413 -2.803 2 HA VAL 114 HA VAL 114 98.015 17.107 -5.556 3 HB VAL 114 HB VAL 114 99.955 14.929 -4.798 No H/Q in entry = 3 In of MODEL 6 1 H GLY 115 H GLY 115 95.803 16.364 -4.466 2 HA2 GLY 115 HA2 GLY 115 95.440 13.502 -4.291 3 HA3 GLY 115 HA3 GLY 115 94.858 14.177 -5.803 No H/Q in entry = 3 In of MODEL 6 1 H GLY 116 H GLY 116 93.033 12.950 -4.431 2 HA2 GLY 116 HA2 GLY 116 90.932 13.122 -3.513 3 HA3 GLY 116 HA3 GLY 116 90.995 14.806 -3.981 No H/Q in entry = 3 In of MODEL 6 1 HA PRO 117 HA PRO 117 90.719 14.678 0.657 2 HB2 PRO 117 HB2 PRO 117 91.462 12.480 2.059 3 HB3 PRO 117 HB3 PRO 117 89.885 12.619 1.272 4 HG2 PRO 117 HG2 PRO 117 92.372 11.350 0.224 5 HG3 PRO 117 HG3 PRO 117 90.741 10.671 0.311 6 HD2 PRO 117 HD2 PRO 117 91.611 11.674 -1.965 7 HD3 PRO 117 HD3 PRO 117 89.959 12.047 -1.421 No H/Q in entry = 7 In of MODEL 6 1 H ILE 118 H ILE 118 93.574 13.505 -0.811 2 HA ILE 118 HA ILE 118 95.371 13.894 1.349 3 HB ILE 118 HB ILE 118 95.995 14.166 -1.602 4 HD11 ILE 118 HD11 ILE 118 94.347 12.717 -2.214 5 HD12 ILE 118 HD12 ILE 118 95.418 11.447 -2.780 6 HD13 ILE 118 HD13 ILE 118 94.188 11.095 -1.581 No H/Q in entry = 6 In of MODEL 6 1 H GLY 119 H GLY 119 95.537 15.769 2.317 2 HA2 GLY 119 HA2 GLY 119 95.290 18.018 2.692 3 HA3 GLY 119 HA3 GLY 119 95.063 18.297 0.979 No H/Q in entry = 3 In of MODEL 6 1 HA PRO 120 HA PRO 120 99.165 19.910 0.892 2 HB2 PRO 120 HB2 PRO 120 99.430 21.726 2.956 3 HB3 PRO 120 HB3 PRO 120 98.591 22.073 1.442 4 HG2 PRO 120 HG2 PRO 120 97.448 21.224 4.063 5 HG3 PRO 120 HG3 PRO 120 96.874 22.455 2.950 6 HD2 PRO 120 HD2 PRO 120 95.723 20.050 3.085 7 HD3 PRO 120 HD3 PRO 120 95.910 20.872 1.528 No H/Q in entry = 7 In of MODEL 6 1 H ASN 121 H ASN 121 101.236 19.386 1.540 2 HA ASN 121 HA ASN 121 102.852 18.181 2.627 3 HB2 ASN 121 HB2 ASN 121 102.593 20.321 3.984 4 HB3 ASN 121 HB3 ASN 121 101.699 19.347 5.142 5 HD21 ASN 121 HD21 ASN 121 104.825 20.312 4.257 6 HD22 ASN 121 HD22 ASN 121 105.668 19.176 5.180 No H/Q in entry = 6 In of MODEL 6 1 H GLU 122 H GLU 122 100.847 16.452 2.069 2 HA GLU 122 HA GLU 122 100.211 14.980 4.529 3 HB2 GLU 122 HB2 GLU 122 99.328 14.776 1.678 4 HB3 GLU 122 HB3 GLU 122 99.044 13.452 2.806 5 HG2 GLU 122 HG2 GLU 122 98.148 16.293 3.289 6 HG3 GLU 122 HG3 GLU 122 97.137 15.022 2.614 No H/Q in entry = 6 In of MODEL 6 1 H THR 123 H THR 123 101.199 13.299 5.222 2 HA THR 123 HA THR 123 103.229 11.947 3.553 3 HB THR 123 HB THR 123 102.637 11.895 6.519 4 HG1 THR 123 HG1 THR 123 103.935 13.548 6.198 5 HG21 THR 123 HG21 THR 123 103.266 9.628 5.610 6 HG22 THR 123 HG22 THR 123 104.748 10.337 5.021 7 HG23 THR 123 HG23 THR 123 104.428 10.277 6.752 No H/Q in entry = 7 In of MODEL 6 1 H LEU 124 H LEU 124 102.695 10.015 2.678 2 HA LEU 124 HA LEU 124 100.189 8.710 3.603 3 HB2 LEU 124 HB2 LEU 124 101.434 8.707 0.848 4 HB3 LEU 124 HB3 LEU 124 100.015 7.790 1.303 5 HG LEU 124 HG LEU 124 99.098 9.682 0.257 6 HD11 LEU 124 HD11 LEU 124 98.213 9.372 2.603 7 HD12 LEU 124 HD12 LEU 124 99.239 10.733 3.040 8 HD13 LEU 124 HD13 LEU 124 97.966 10.956 1.868 9 HD21 LEU 124 HD21 LEU 124 101.300 10.902 0.135 10 HD22 LEU 124 HD22 LEU 124 99.892 11.918 0.402 11 HD23 LEU 124 HD23 LEU 124 100.947 11.513 1.735 No H/Q in entry = 11 In of MODEL 6 1 H ILE 125 H ILE 125 100.130 6.574 3.912 2 HA ILE 125 HA ILE 125 102.680 5.069 3.781 3 HB ILE 125 HB ILE 125 102.234 5.256 6.102 4 HD11 ILE 125 HD11 ILE 125 101.799 3.742 7.803 5 HD12 ILE 125 HD12 ILE 125 100.963 2.224 7.537 6 HD13 ILE 125 HD13 ILE 125 102.697 2.334 7.280 No H/Q in entry = 6 In of MODEL 6 1 H PHE 126 H PHE 126 102.548 2.940 3.100 2 HA PHE 126 HA PHE 126 99.917 1.974 2.291 3 HB2 PHE 126 HB2 PHE 126 102.198 1.579 0.396 4 HB3 PHE 126 HB3 PHE 126 100.459 1.505 0.099 5 HD1 PHE 126 HD1 PHE 126 99.401 3.345 -0.880 6 HD2 PHE 126 HD2 PHE 126 103.104 3.890 1.214 7 HE1 PHE 126 HE1 PHE 126 99.454 5.723 -1.580 8 HE2 PHE 126 HE2 PHE 126 103.145 6.258 0.515 9 HZ PHE 126 HZ PHE 126 101.339 7.176 -0.869 No H/Q in entry = 9 In of MODEL 6 1 H LYS 127 H LYS 127 99.692 -0.226 2.135 2 HA LYS 127 HA LYS 127 101.755 -1.787 3.492 3 HB2 LYS 127 HB2 LYS 127 99.201 -3.139 2.931 4 HB3 LYS 127 HB3 LYS 127 100.049 -2.972 4.448 5 HG2 LYS 127 HG2 LYS 127 98.335 -0.826 3.205 6 HG3 LYS 127 HG3 LYS 127 97.810 -1.924 4.473 7 HD2 LYS 127 HD2 LYS 127 99.579 -1.073 5.972 8 HD3 LYS 127 HD3 LYS 127 100.104 0.050 4.732 9 HE2 LYS 127 HE2 LYS 127 97.890 1.133 4.760 10 HE3 LYS 127 HE3 LYS 127 97.353 -0.005 5.996 11 HZ1 LYS 127 HZ1 LYS 127 99.657 0.959 7.018 12 HZ2 LYS 127 HZ2 LYS 127 99.014 2.327 6.247 13 HZ3 LYS 127 HZ3 LYS 127 98.102 1.510 7.425 No H/Q in entry = 13 In of MODEL 6 1 H ILE 128 H ILE 128 102.997 -3.053 2.222 2 HA ILE 128 HA ILE 128 101.911 -3.605 -0.492 3 HB ILE 128 HB ILE 128 104.847 -3.314 0.088 4 HD11 ILE 128 HD11 ILE 128 104.907 -0.779 -1.780 5 HD12 ILE 128 HD12 ILE 128 104.620 0.455 -0.567 6 HD13 ILE 128 HD13 ILE 128 105.799 -0.805 -0.258 No H/Q in entry = 6 In of MODEL 6 1 H HIS 129 H HIS 129 101.730 -5.542 -1.103 2 HA HIS 129 HA HIS 129 103.248 -7.720 0.201 3 HB2 HIS 129 HB2 HIS 129 100.893 -7.916 0.762 4 HB3 HIS 129 HB3 HIS 129 100.447 -7.706 -0.930 5 HD2 HIS 129 HD2 HIS 129 103.359 -10.205 0.143 6 HE1 HIS 129 HE1 HIS 129 100.184 -12.371 -1.627 7 HE2 HIS 129 HE2 HIS 129 102.563 -12.527 -0.781 No H/Q in entry = 7 In of MODEL 6 1 H LEU 130 H LEU 130 104.653 -8.724 -1.197 2 HA LEU 130 HA LEU 130 104.326 -8.115 -4.041 3 HB2 LEU 130 HB2 LEU 130 106.558 -8.109 -2.408 4 HB3 LEU 130 HB3 LEU 130 106.714 -9.601 -3.289 5 HG LEU 130 HG LEU 130 106.259 -6.925 -4.557 6 HD11 LEU 130 HD11 LEU 130 108.735 -8.612 -4.296 7 HD12 LEU 130 HD12 LEU 130 108.605 -7.291 -5.439 8 HD13 LEU 130 HD13 LEU 130 108.503 -6.972 -3.707 9 HD21 LEU 130 HD21 LEU 130 105.315 -8.798 -5.888 10 HD22 LEU 130 HD22 LEU 130 106.706 -8.104 -6.661 11 HD23 LEU 130 HD23 LEU 130 106.880 -9.610 -5.800 No H/Q in entry = 11 In of MODEL 6 1 H ILE 131 H ILE 131 103.148 -9.432 -5.197 2 HA ILE 131 HA ILE 131 103.101 -12.292 -4.580 3 HB ILE 131 HB ILE 131 101.431 -10.560 -6.417 4 HD11 ILE 131 HD11 ILE 131 100.351 -9.122 -4.932 5 HD12 ILE 131 HD12 ILE 131 99.920 -9.605 -3.297 6 HD13 ILE 131 HD13 ILE 131 101.602 -9.404 -3.727 No H/Q in entry = 6 In of MODEL 6 1 H SER 132 H SER 132 103.801 -10.187 -7.427 2 HA SER 132 HA SER 132 105.609 -12.300 -8.402 3 HB2 SER 132 HB2 SER 132 104.503 -12.758 -10.371 4 HB3 SER 132 HB3 SER 132 103.108 -12.343 -9.383 5 HG SER 132 HG SER 132 104.384 -10.898 -11.397 No H/Q in entry = 5 In of MODEL 6 1 H VAL 133 H VAL 133 107.097 -11.552 -10.058 2 HA VAL 133 HA VAL 133 107.342 -8.604 -10.238 3 HB VAL 133 HB VAL 133 109.601 -10.555 -9.682 No H/Q in entry = 3 In of MODEL 6 1 H LYS 134 H LYS 134 108.029 -7.806 -12.149 2 HA LYS 134 HA LYS 134 108.375 -9.624 -14.419 3 HB2 LYS 134 HB2 LYS 134 106.739 -7.564 -14.247 4 HB3 LYS 134 HB3 LYS 134 108.217 -6.671 -14.559 5 HG2 LYS 134 HG2 LYS 134 106.910 -7.089 -16.616 6 HG3 LYS 134 HG3 LYS 134 108.516 -7.773 -16.710 7 HD2 LYS 134 HD2 LYS 134 106.591 -9.726 -15.632 8 HD3 LYS 134 HD3 LYS 134 106.084 -9.115 -17.199 9 HE2 LYS 134 HE2 LYS 134 108.329 -9.633 -18.121 10 HE3 LYS 134 HE3 LYS 134 108.783 -10.340 -16.572 11 HZ1 LYS 134 HZ1 LYS 134 106.392 -11.230 -18.070 12 HZ2 LYS 134 HZ2 LYS 134 107.926 -11.912 -18.332 13 HZ3 LYS 134 HZ3 LYS 134 107.198 -12.028 -16.804 No H/Q in entry = 13 In of MODEL 6 1 H LYS 135 H LYS 135 109.679 -7.387 -15.846 2 HA LYS 135 HA LYS 135 112.086 -6.619 -14.703 3 HB2 LYS 135 HB2 LYS 135 112.115 -9.318 -15.463 4 HB3 LYS 135 HB3 LYS 135 113.002 -8.496 -16.732 5 HG2 LYS 135 HG2 LYS 135 113.571 -8.015 -13.806 6 HG3 LYS 135 HG3 LYS 135 114.338 -9.304 -14.726 7 HD2 LYS 135 HD2 LYS 135 114.383 -6.505 -15.796 8 HD3 LYS 135 HD3 LYS 135 115.509 -6.941 -14.524 9 HE2 LYS 135 HE2 LYS 135 115.363 -8.854 -16.775 10 HE3 LYS 135 HE3 LYS 135 116.011 -7.274 -17.184 11 HZ1 LYS 135 HZ1 LYS 135 117.101 -8.047 -14.734 12 HZ2 LYS 135 HZ2 LYS 135 117.286 -9.347 -15.812 13 HZ3 LYS 135 HZ3 LYS 135 117.895 -7.813 -16.213 No H/Q in entry = 13 In of MODEL 6 1 H SER 136 H SER 136 113.151 -5.196 -15.890 2 HA SER 136 HA SER 136 111.804 -3.752 -17.830 3 HB2 SER 136 HB2 SER 136 113.574 -2.662 -16.730 4 HB3 SER 136 HB3 SER 136 114.723 -3.935 -17.124 5 HG SER 136 HG SER 136 115.014 -2.155 -18.491 No H/Q in entry = 5 In of MODEL 6 1 H SER 137 H SER 137 114.168 -6.357 -18.283 2 HA SER 137 HA SER 137 114.538 -6.137 -21.052 3 HB2 SER 137 HB2 SER 137 115.798 -7.637 -19.470 4 HB3 SER 137 HB3 SER 137 114.411 -8.719 -19.486 5 HG SER 137 HG SER 137 115.175 -7.966 -21.987 No H/Q in entry = 5 In of MODEL 7 1 H1 PHE 1 H1 PHE 1 95.709 29.092 5.191 2 H2 PHE 1 H2 PHE 1 94.905 30.054 4.044 3 H3 PHE 1 H3 PHE 1 94.014 29.050 5.081 4 HA PHE 1 HA PHE 1 94.025 27.558 3.448 5 HB2 PHE 1 HB2 PHE 1 96.429 29.002 2.289 6 HB3 PHE 1 HB3 PHE 1 95.438 27.798 1.465 7 HD1 PHE 1 HD1 PHE 1 95.669 31.266 2.598 8 HD2 PHE 1 HD2 PHE 1 93.103 28.322 0.813 9 HE1 PHE 1 HE1 PHE 1 94.132 33.061 1.849 10 HE2 PHE 1 HE2 PHE 1 91.562 30.117 0.066 11 HZ PHE 1 HZ PHE 1 92.079 32.487 0.582 No H/Q in entry = 11 In of MODEL 7 1 H ASN 2 H ASN 2 97.414 28.436 4.130 2 HA ASN 2 HA ASN 2 98.391 25.766 4.090 3 HB2 ASN 2 HB2 ASN 2 99.491 28.367 5.150 4 HB3 ASN 2 HB3 ASN 2 100.366 26.849 5.335 5 HD21 ASN 2 HD21 ASN 2 100.478 25.556 3.097 6 HD22 ASN 2 HD22 ASN 2 100.876 26.507 1.749 No H/Q in entry = 6 In of MODEL 7 1 H LYS 3 H LYS 3 96.676 27.590 6.434 2 HA LYS 3 HA LYS 3 97.572 26.727 8.869 3 HB2 LYS 3 HB2 LYS 3 95.194 26.804 9.635 4 HB3 LYS 3 HB3 LYS 3 95.698 28.231 8.735 5 HG2 LYS 3 HG2 LYS 3 94.157 27.867 7.086 6 HG3 LYS 3 HG3 LYS 3 94.593 26.176 6.938 7 HD2 LYS 3 HD2 LYS 3 93.230 25.741 9.032 8 HD3 LYS 3 HD3 LYS 3 92.650 27.404 8.905 9 HE2 LYS 3 HE2 LYS 3 91.988 26.808 6.500 10 HE3 LYS 3 HE3 LYS 3 92.267 25.130 6.971 11 HZ1 LYS 3 HZ1 LYS 3 90.439 26.980 8.399 12 HZ2 LYS 3 HZ2 LYS 3 89.937 25.850 7.238 13 HZ3 LYS 3 HZ3 LYS 3 90.642 25.318 8.688 No H/Q in entry = 13 In of MODEL 7 1 H LYS 4 H LYS 4 95.702 24.864 6.515 2 HA LYS 4 HA LYS 4 95.343 22.596 8.228 3 HB2 LYS 4 HB2 LYS 4 94.055 23.364 6.054 4 HB3 LYS 4 HB3 LYS 4 95.256 22.368 5.239 5 HG2 LYS 4 HG2 LYS 4 93.468 21.435 7.505 6 HG3 LYS 4 HG3 LYS 4 93.178 21.123 5.798 7 HD2 LYS 4 HD2 LYS 4 95.575 20.096 5.816 8 HD3 LYS 4 HD3 LYS 4 95.373 20.068 7.561 9 HE2 LYS 4 HE2 LYS 4 93.156 18.894 5.925 10 HE3 LYS 4 HE3 LYS 4 94.652 17.979 6.074 11 HZ1 LYS 4 HZ1 LYS 4 93.972 19.019 8.587 12 HZ2 LYS 4 HZ2 LYS 4 92.612 18.232 7.949 13 HZ3 LYS 4 HZ3 LYS 4 94.083 17.394 8.107 No H/Q in entry = 13 In of MODEL 7 1 H ALA 5 H ALA 5 97.621 23.568 5.749 2 HA ALA 5 HA ALA 5 99.059 21.260 5.296 3 HB1 ALA 5 HB1 ALA 5 100.787 22.661 4.499 4 HB2 ALA 5 HB2 ALA 5 100.363 23.947 5.618 5 HB3 ALA 5 HB3 ALA 5 99.315 23.604 4.249 No H/Q in entry = 5 In of MODEL 7 1 H ASP 6 H ASP 6 99.135 23.444 7.983 2 HA ASP 6 HA ASP 6 101.490 22.505 9.223 3 HB2 ASP 6 HB2 ASP 6 99.065 23.916 10.246 4 HB3 ASP 6 HB3 ASP 6 100.454 23.545 11.257 No H/Q in entry = 4 In of MODEL 7 1 H GLU 7 H GLU 7 98.065 21.545 9.514 2 HA GLU 7 HA GLU 7 98.405 19.823 11.727 3 HB2 GLU 7 HB2 GLU 7 96.394 19.430 9.563 4 HB3 GLU 7 HB3 GLU 7 96.246 19.014 11.264 5 HG2 GLU 7 HG2 GLU 7 96.402 21.441 11.807 6 HG3 GLU 7 HG3 GLU 7 96.370 21.780 10.084 No H/Q in entry = 6 In of MODEL 7 1 H ASN 8 H ASN 8 98.261 19.172 8.293 2 HA ASN 8 HA ASN 8 98.705 16.388 8.406 3 HB2 ASN 8 HB2 ASN 8 99.610 18.292 6.261 4 HB3 ASN 8 HB3 ASN 8 99.212 16.585 6.060 5 HD21 ASN 8 HD21 ASN 8 97.868 18.457 4.527 6 HD22 ASN 8 HD22 ASN 8 96.253 18.553 5.028 No H/Q in entry = 6 In of MODEL 7 1 H LYS 9 H LYS 9 100.715 19.182 8.380 2 HA LYS 9 HA LYS 9 103.246 17.939 8.061 3 HB2 LYS 9 HB2 LYS 9 103.280 20.210 7.607 4 HB3 LYS 9 HB3 LYS 9 102.178 20.564 8.900 5 HG2 LYS 9 HG2 LYS 9 103.919 20.354 10.550 6 HG3 LYS 9 HG3 LYS 9 105.049 19.801 9.318 7 HD2 LYS 9 HD2 LYS 9 104.798 21.998 8.167 8 HD3 LYS 9 HD3 LYS 9 103.746 22.524 9.471 9 HE2 LYS 9 HE2 LYS 9 105.548 22.178 11.103 10 HE3 LYS 9 HE3 LYS 9 106.623 21.648 9.809 11 HZ1 LYS 9 HZ1 LYS 9 105.311 24.208 9.408 12 HZ2 LYS 9 HZ2 LYS 9 106.470 24.160 10.648 13 HZ3 LYS 9 HZ3 LYS 9 106.908 23.738 9.065 No H/Q in entry = 13 In of MODEL 7 1 H VAL 10 H VAL 10 101.565 19.113 11.019 2 HA VAL 10 HA VAL 10 103.611 18.185 12.757 3 HB VAL 10 HB VAL 10 100.747 18.938 13.285 No H/Q in entry = 3 In of MODEL 7 1 H LYS 11 H LYS 11 100.448 16.802 11.899 2 HA LYS 11 HA LYS 11 100.739 14.511 13.513 3 HB2 LYS 11 HB2 LYS 11 99.103 15.099 11.085 4 HB3 LYS 11 HB3 LYS 11 99.106 13.516 11.821 5 HG2 LYS 11 HG2 LYS 11 97.270 14.560 12.839 6 HG3 LYS 11 HG3 LYS 11 98.544 14.750 14.036 7 HD2 LYS 11 HD2 LYS 11 99.001 17.027 12.971 8 HD3 LYS 11 HD3 LYS 11 97.484 16.814 12.099 9 HE2 LYS 11 HE2 LYS 11 97.951 17.163 15.044 10 HE3 LYS 11 HE3 LYS 11 96.776 17.965 14.007 11 HZ1 LYS 11 HZ1 LYS 11 96.606 15.056 14.400 12 HZ2 LYS 11 HZ2 LYS 11 96.025 16.091 15.615 13 HZ3 LYS 11 HZ3 LYS 11 95.370 16.169 14.051 No H/Q in entry = 13 In of MODEL 7 1 H GLY 12 H GLY 12 101.649 15.373 10.268 2 HA2 GLY 12 HA2 GLY 12 102.970 14.308 8.697 3 HA3 GLY 12 HA3 GLY 12 102.639 12.801 9.522 No H/Q in entry = 3 In of MODEL 7 1 H GLU 13 H GLU 13 104.217 15.730 10.812 2 HA GLU 13 HA GLU 13 106.866 14.727 10.641 3 HB2 GLU 13 HB2 GLU 13 105.564 16.844 12.353 4 HB3 GLU 13 HB3 GLU 13 107.240 16.378 12.628 5 HG2 GLU 13 HG2 GLU 13 107.820 16.945 10.347 6 HG3 GLU 13 HG3 GLU 13 106.142 17.310 9.973 No H/Q in entry = 6 In of MODEL 7 1 H ALA 14 H ALA 14 104.276 14.321 12.904 2 HA ALA 14 HA ALA 14 105.843 13.055 14.923 3 HB1 ALA 14 HB1 ALA 14 103.765 14.316 15.416 4 HB2 ALA 14 HB2 ALA 14 102.849 13.088 14.544 5 HB3 ALA 14 HB3 ALA 14 103.713 12.661 16.020 No H/Q in entry = 5 In of MODEL 7 1 H PHE 15 H PHE 15 103.837 12.159 12.245 2 HA PHE 15 HA PHE 15 103.487 9.419 12.727 3 HB2 PHE 15 HB2 PHE 15 102.308 10.893 11.082 4 HB3 PHE 15 HB3 PHE 15 103.757 10.866 10.095 5 HD1 PHE 15 HD1 PHE 15 104.263 9.027 8.722 6 HD2 PHE 15 HD2 PHE 15 101.056 8.798 11.553 7 HE1 PHE 15 HE1 PHE 15 103.406 6.995 7.595 8 HE2 PHE 15 HE2 PHE 15 100.221 6.739 10.456 9 HZ PHE 15 HZ PHE 15 101.397 5.853 8.468 No H/Q in entry = 9 In of MODEL 7 1 H LEU 16 H LEU 16 105.933 11.114 10.763 2 HA LEU 16 HA LEU 16 107.373 8.691 10.198 3 HB2 LEU 16 HB2 LEU 16 108.164 11.600 9.969 4 HB3 LEU 16 HB3 LEU 16 109.233 10.281 9.532 5 HG LEU 16 HG LEU 16 107.118 9.510 8.078 6 HD11 LEU 16 HD11 LEU 16 106.691 12.464 8.539 7 HD12 LEU 16 HD12 LEU 16 106.217 11.719 7.014 8 HD13 LEU 16 HD13 LEU 16 105.505 11.159 8.531 9 HD21 LEU 16 HD21 LEU 16 109.224 11.564 7.438 10 HD22 LEU 16 HD22 LEU 16 109.201 9.843 7.080 11 HD23 LEU 16 HD23 LEU 16 108.132 10.932 6.210 No H/Q in entry = 11 In of MODEL 7 1 H THR 17 H THR 17 107.650 11.277 12.545 2 HA THR 17 HA THR 17 110.114 10.484 13.645 3 HB THR 17 HB THR 17 107.824 11.869 15.040 4 HG1 THR 17 HG1 THR 17 110.168 12.936 13.868 5 HG21 THR 17 HG21 THR 17 110.732 11.498 15.703 6 HG22 THR 17 HG22 THR 17 109.704 12.714 16.465 7 HG23 THR 17 HG23 THR 17 109.335 11.004 16.662 No H/Q in entry = 7 In of MODEL 7 1 H GLU 18 H GLU 18 106.793 9.602 14.386 2 HA GLU 18 HA GLU 18 107.510 7.878 16.521 3 HB2 GLU 18 HB2 GLU 18 105.344 9.047 16.437 4 HB3 GLU 18 HB3 GLU 18 104.910 8.072 15.041 5 HG2 GLU 18 HG2 GLU 18 105.081 6.029 16.349 6 HG3 GLU 18 HG3 GLU 18 105.658 6.940 17.744 No H/Q in entry = 6 In of MODEL 7 1 H ASN 19 H ASN 19 106.491 7.390 13.151 2 HA ASN 19 HA ASN 19 106.334 4.599 13.239 3 HB2 ASN 19 HB2 ASN 19 105.471 5.955 11.386 4 HB3 ASN 19 HB3 ASN 19 107.122 6.298 10.887 5 HD21 ASN 19 HD21 ASN 19 107.594 5.021 9.133 6 HD22 ASN 19 HD22 ASN 19 107.171 3.389 8.969 No H/Q in entry = 6 In of MODEL 7 1 H LYS 20 H LYS 20 109.137 6.596 12.377 2 HA LYS 20 HA LYS 20 110.801 4.460 11.623 3 HB2 LYS 20 HB2 LYS 20 112.693 5.934 12.145 4 HB3 LYS 20 HB3 LYS 20 111.454 6.800 11.242 5 HG2 LYS 20 HG2 LYS 20 110.538 7.509 13.546 6 HG3 LYS 20 HG3 LYS 20 112.066 6.925 14.199 7 HD2 LYS 20 HD2 LYS 20 111.841 9.006 12.004 8 HD3 LYS 20 HD3 LYS 20 112.093 9.376 13.712 9 HE2 LYS 20 HE2 LYS 20 114.136 7.853 13.602 10 HE3 LYS 20 HE3 LYS 20 113.938 7.899 11.856 11 HZ1 LYS 20 HZ1 LYS 20 114.140 10.335 13.521 12 HZ2 LYS 20 HZ2 LYS 20 115.479 9.599 12.777 13 HZ3 LYS 20 HZ3 LYS 20 114.218 10.228 11.830 No H/Q in entry = 13 In of MODEL 7 1 H ASN 21 H ASN 21 109.863 5.716 14.722 2 HA ASN 21 HA ASN 21 111.766 4.169 16.239 3 HB2 ASN 21 HB2 ASN 21 109.490 5.999 16.891 4 HB3 ASN 21 HB3 ASN 21 110.189 4.991 18.153 5 HD21 ASN 21 HD21 ASN 21 110.588 7.936 16.415 6 HD22 ASN 21 HD22 ASN 21 112.154 8.302 16.957 No H/Q in entry = 6 In of MODEL 7 1 H LYS 22 H LYS 22 108.455 3.773 15.177 2 HA LYS 22 HA LYS 22 107.654 1.860 16.975 3 HB2 LYS 22 HB2 LYS 22 106.898 2.409 14.154 4 HB3 LYS 22 HB3 LYS 22 106.155 1.078 15.020 5 HG2 LYS 22 HG2 LYS 22 105.787 3.021 16.872 6 HG3 LYS 22 HG3 LYS 22 105.863 4.031 15.442 7 HD2 LYS 22 HD2 LYS 22 104.022 1.640 15.679 8 HD3 LYS 22 HD3 LYS 22 103.541 3.289 16.074 9 HE2 LYS 22 HE2 LYS 22 103.945 4.030 13.827 10 HE3 LYS 22 HE3 LYS 22 104.717 2.503 13.408 11 HZ1 LYS 22 HZ1 LYS 22 101.875 2.816 14.202 12 HZ2 LYS 22 HZ2 LYS 22 102.428 2.628 12.608 13 HZ3 LYS 22 HZ3 LYS 22 102.627 1.371 13.735 No H/Q in entry = 13 In of MODEL 7 1 HA PRO 23 HA PRO 23 110.283 -1.682 16.178 2 HB2 PRO 23 HB2 PRO 23 107.854 -3.338 16.701 3 HB3 PRO 23 HB3 PRO 23 109.464 -3.436 17.435 4 HG2 PRO 23 HG2 PRO 23 107.386 -2.385 18.747 5 HG3 PRO 23 HG3 PRO 23 109.034 -1.754 18.931 6 HD2 PRO 23 HD2 PRO 23 106.721 -0.561 17.459 7 HD3 PRO 23 HD3 PRO 23 108.076 0.228 18.299 No H/Q in entry = 7 In of MODEL 7 1 H GLY 24 H GLY 24 110.717 -3.158 14.580 2 HA2 GLY 24 HA2 GLY 24 108.751 -3.982 12.643 3 HA3 GLY 24 HA3 GLY 24 110.447 -4.439 12.667 No H/Q in entry = 3 In of MODEL 7 1 H VAL 25 H VAL 25 109.724 -1.084 12.910 2 HA VAL 25 HA VAL 25 109.835 -0.617 10.036 3 HB VAL 25 HB VAL 25 109.828 1.362 12.323 No H/Q in entry = 3 In of MODEL 7 1 H VAL 26 H VAL 26 111.535 0.102 8.919 2 HA VAL 26 HA VAL 26 114.067 0.734 10.355 3 HB VAL 26 HB VAL 26 113.667 -0.769 7.760 No H/Q in entry = 3 In of MODEL 7 1 H VAL 27 H VAL 27 114.691 2.796 10.003 2 HA VAL 27 HA VAL 27 113.428 4.257 7.807 3 HB VAL 27 HB VAL 27 113.157 5.263 10.006 No H/Q in entry = 3 In of MODEL 7 1 H LEU 28 H LEU 28 114.413 5.483 6.349 2 HA LEU 28 HA LEU 28 117.265 4.832 5.926 3 HB2 LEU 28 HB2 LEU 28 115.124 5.535 3.915 4 HB3 LEU 28 HB3 LEU 28 116.786 5.190 3.518 5 HG LEU 28 HG LEU 28 114.915 3.239 4.866 6 HD11 LEU 28 HD11 LEU 28 114.408 3.891 2.459 7 HD12 LEU 28 HD12 LEU 28 115.974 3.223 2.033 8 HD13 LEU 28 HD13 LEU 28 114.728 2.183 2.713 9 HD21 LEU 28 HD21 LEU 28 117.785 3.113 3.902 10 HD22 LEU 28 HD22 LEU 28 117.144 2.648 5.477 11 HD23 LEU 28 HD23 LEU 28 116.803 1.663 4.063 No H/Q in entry = 11 In of MODEL 7 1 HA PRO 29 HA PRO 29 118.418 9.055 5.965 2 HB2 PRO 29 HB2 PRO 29 119.644 8.836 3.269 3 HB3 PRO 29 HB3 PRO 29 120.397 9.307 4.802 4 HG2 PRO 29 HG2 PRO 29 120.877 6.936 3.752 5 HG3 PRO 29 HG3 PRO 29 120.633 7.102 5.504 6 HD2 PRO 29 HD2 PRO 29 118.702 6.180 3.410 7 HD3 PRO 29 HD3 PRO 29 119.042 5.463 4.996 No H/Q in entry = 7 In of MODEL 7 1 H SER 30 H SER 30 116.901 7.883 3.047 2 HA SER 30 HA SER 30 116.211 10.393 1.920 3 HB2 SER 30 HB2 SER 30 114.698 7.806 1.541 4 HB3 SER 30 HB3 SER 30 114.854 9.150 0.408 5 HG SER 30 HG SER 30 116.271 7.146 0.220 No H/Q in entry = 5 In of MODEL 7 1 H GLY 31 H GLY 31 115.098 8.651 4.585 2 HA2 GLY 31 HA2 GLY 31 112.839 10.492 4.951 3 HA3 GLY 31 HA3 GLY 31 113.593 9.511 6.203 No H/Q in entry = 3 In of MODEL 7 1 H LEU 32 H LEU 32 113.325 7.625 3.507 2 HA LEU 32 HA LEU 32 110.560 6.884 3.775 3 HB2 LEU 32 HB2 LEU 32 111.756 6.753 1.594 4 HB3 LEU 32 HB3 LEU 32 112.806 5.526 2.253 5 HG LEU 32 HG LEU 32 110.821 4.790 0.761 6 HD11 LEU 32 HD11 LEU 32 112.210 3.288 2.191 7 HD12 LEU 32 HD12 LEU 32 110.972 3.414 3.422 8 HD13 LEU 32 HD13 LEU 32 110.585 2.720 1.862 9 HD21 LEU 32 HD21 LEU 32 109.181 6.203 1.984 10 HD22 LEU 32 HD22 LEU 32 108.676 4.534 1.787 11 HD23 LEU 32 HD23 LEU 32 109.270 5.090 3.337 No H/Q in entry = 11 In of MODEL 7 1 H GLN 33 H GLN 33 109.762 5.246 4.987 2 HA GLN 33 HA GLN 33 111.664 3.535 6.474 3 HB2 GLN 33 HB2 GLN 33 109.029 4.715 7.354 4 HB3 GLN 33 HB3 GLN 33 109.965 3.566 8.279 5 HG2 GLN 33 HG2 GLN 33 110.948 5.408 9.198 6 HG3 GLN 33 HG3 GLN 33 111.833 5.467 7.704 7 HE21 GLN 33 HE21 GLN 33 111.419 7.802 9.133 8 HE22 GLN 33 HE22 GLN 33 110.395 8.783 8.211 No H/Q in entry = 8 In of MODEL 7 1 H TYR 34 H TYR 34 111.250 1.382 6.578 2 HA TYR 34 HA TYR 34 108.702 0.406 5.510 3 HB2 TYR 34 HB2 TYR 34 109.789 -1.312 4.187 4 HB3 TYR 34 HB3 TYR 34 110.279 0.280 3.634 5 HD1 TYR 34 HD1 TYR 34 111.285 -2.570 5.761 6 HD2 TYR 34 HD2 TYR 34 112.573 0.942 3.676 7 HE1 TYR 34 HE1 TYR 34 113.648 -3.204 6.177 8 HE2 TYR 34 HE2 TYR 34 114.936 0.312 4.088 9 HH TYR 34 HH TYR 34 116.288 -1.027 5.368 No H/Q in entry = 9 In of MODEL 7 1 H LYS 35 H LYS 35 107.937 -1.414 6.290 2 HA LYS 35 HA LYS 35 109.437 -2.706 8.460 3 HB2 LYS 35 HB2 LYS 35 107.716 -1.200 9.335 4 HB3 LYS 35 HB3 LYS 35 106.490 -2.043 8.422 5 HG2 LYS 35 HG2 LYS 35 108.170 -3.773 10.088 6 HG3 LYS 35 HG3 LYS 35 107.248 -2.617 11.019 7 HD2 LYS 35 HD2 LYS 35 105.206 -3.387 9.772 8 HD3 LYS 35 HD3 LYS 35 106.197 -4.673 9.075 9 HE2 LYS 35 HE2 LYS 35 105.008 -5.453 11.089 10 HE3 LYS 35 HE3 LYS 35 106.747 -5.465 11.332 11 HZ1 LYS 35 HZ1 LYS 35 105.756 -2.940 12.023 12 HZ2 LYS 35 HZ2 LYS 35 104.819 -4.111 12.820 13 HZ3 LYS 35 HZ3 LYS 35 106.502 -4.090 13.027 No H/Q in entry = 13 In of MODEL 7 1 H VAL 36 H VAL 36 109.455 -4.826 8.409 2 HA VAL 36 HA VAL 36 108.169 -6.112 6.108 3 HB VAL 36 HB VAL 36 110.488 -6.544 6.305 No H/Q in entry = 3 In of MODEL 7 1 H ILE 37 H ILE 37 106.149 -6.630 6.447 2 HA ILE 37 HA ILE 37 105.087 -7.530 8.946 3 HB ILE 37 HB ILE 37 103.861 -8.080 6.243 4 HD11 ILE 37 HD11 ILE 37 104.111 -5.630 8.931 5 HD12 ILE 37 HD12 ILE 37 104.051 -4.199 7.940 6 HD13 ILE 37 HD13 ILE 37 102.569 -5.055 8.354 No H/Q in entry = 6 In of MODEL 7 1 H ASN 38 H ASN 38 106.190 -9.026 5.985 2 HA ASN 38 HA ASN 38 106.528 -11.597 7.353 3 HB2 ASN 38 HB2 ASN 38 105.049 -11.194 4.764 4 HB3 ASN 38 HB3 ASN 38 105.541 -12.748 5.377 5 HD21 ASN 38 HD21 ASN 38 103.450 -9.949 6.146 6 HD22 ASN 38 HD22 ASN 38 102.405 -10.818 7.163 No H/Q in entry = 6 In of MODEL 7 1 H SER 39 H SER 39 108.481 -12.449 6.842 2 HA SER 39 HA SER 39 110.100 -11.134 4.806 3 HB2 SER 39 HB2 SER 39 111.929 -12.124 5.797 4 HB3 SER 39 HB3 SER 39 110.844 -11.981 7.174 5 HG SER 39 HG SER 39 110.123 -14.188 6.363 No H/Q in entry = 5 In of MODEL 7 1 H GLY 40 H GLY 40 110.500 -11.928 2.823 2 HA2 GLY 40 HA2 GLY 40 109.422 -13.319 1.090 3 HA3 GLY 40 HA3 GLY 40 109.621 -14.677 2.185 No H/Q in entry = 3 In of MODEL 7 1 H ASN 41 H ASN 41 111.954 -12.111 1.654 2 HA ASN 41 HA ASN 41 114.077 -12.096 0.787 3 HB2 ASN 41 HB2 ASN 41 114.045 -15.005 1.588 4 HB3 ASN 41 HB3 ASN 41 115.462 -13.977 1.378 5 HD21 ASN 41 HD21 ASN 41 113.124 -11.994 2.673 6 HD22 ASN 41 HD22 ASN 41 113.497 -12.169 4.322 No H/Q in entry = 6 In of MODEL 7 1 H GLY 42 H GLY 42 111.836 -12.762 -1.015 2 HA2 GLY 42 HA2 GLY 42 111.416 -13.889 -3.031 3 HA3 GLY 42 HA3 GLY 42 112.992 -14.654 -2.916 No H/Q in entry = 3 In of MODEL 7 1 H VAL 43 H VAL 43 111.998 -13.584 -5.203 2 HA VAL 43 HA VAL 43 114.086 -11.844 -6.018 3 HB VAL 43 HB VAL 43 113.015 -11.883 -8.195 No H/Q in entry = 3 In of MODEL 7 1 H LYS 44 H LYS 44 113.224 -9.940 -7.500 2 HA LYS 44 HA LYS 44 111.054 -8.395 -6.811 3 HB2 LYS 44 HB2 LYS 44 111.794 -6.748 -5.259 4 HB3 LYS 44 HB3 LYS 44 112.148 -8.288 -4.542 5 HG2 LYS 44 HG2 LYS 44 114.337 -7.014 -6.150 6 HG3 LYS 44 HG3 LYS 44 113.945 -6.295 -4.602 7 HD2 LYS 44 HD2 LYS 44 114.270 -9.273 -4.669 8 HD3 LYS 44 HD3 LYS 44 115.729 -8.300 -4.821 9 HE2 LYS 44 HE2 LYS 44 115.372 -7.271 -2.691 10 HE3 LYS 44 HE3 LYS 44 113.715 -7.839 -2.604 11 HZ1 LYS 44 HZ1 LYS 44 115.703 -9.907 -2.947 12 HZ2 LYS 44 HZ2 LYS 44 115.807 -9.064 -1.475 13 HZ3 LYS 44 HZ3 LYS 44 114.368 -9.841 -1.911 No H/Q in entry = 13 In of MODEL 7 1 HA PRO 45 HA PRO 45 112.792 -6.276 -10.234 2 HB2 PRO 45 HB2 PRO 45 111.110 -4.148 -10.401 3 HB3 PRO 45 HB3 PRO 45 110.608 -5.806 -10.728 4 HG2 PRO 45 HG2 PRO 45 109.992 -4.070 -8.427 5 HG3 PRO 45 HG3 PRO 45 109.153 -5.495 -9.039 6 HD2 PRO 45 HD2 PRO 45 110.960 -5.360 -6.812 7 HD3 PRO 45 HD3 PRO 45 110.055 -6.773 -7.423 No H/Q in entry = 7 In of MODEL 7 1 H GLY 46 H GLY 46 113.890 -4.527 -11.112 2 HA2 GLY 46 HA2 GLY 46 115.671 -3.002 -10.912 3 HA3 GLY 46 HA3 GLY 46 115.299 -2.826 -9.200 No H/Q in entry = 3 In of MODEL 7 1 H LYS 47 H LYS 47 115.652 -0.522 -10.218 2 HA LYS 47 HA LYS 47 113.259 0.853 -9.986 3 HB2 LYS 47 HB2 LYS 47 114.411 2.802 -10.681 4 HB3 LYS 47 HB3 LYS 47 115.526 1.857 -9.723 5 HG2 LYS 47 HG2 LYS 47 115.800 1.051 -12.463 6 HG3 LYS 47 HG3 LYS 47 115.791 2.793 -12.451 7 HD2 LYS 47 HD2 LYS 47 118.067 2.162 -12.208 8 HD3 LYS 47 HD3 LYS 47 117.549 2.685 -10.610 9 HE2 LYS 47 HE2 LYS 47 117.415 -0.209 -11.405 10 HE3 LYS 47 HE3 LYS 47 118.926 0.485 -10.841 11 HZ1 LYS 47 HZ1 LYS 47 117.218 1.400 -9.009 12 HZ2 LYS 47 HZ2 LYS 47 116.508 -0.102 -9.365 13 HZ3 LYS 47 HZ3 LYS 47 118.118 -0.031 -8.833 No H/Q in entry = 13 In of MODEL 7 1 H SER 48 H SER 48 114.578 -0.798 -12.666 2 HA SER 48 HA SER 48 112.717 0.596 -14.509 3 HB2 SER 48 HB2 SER 48 115.210 -1.024 -14.986 4 HB3 SER 48 HB3 SER 48 114.147 -0.487 -16.285 5 HG SER 48 HG SER 48 115.962 0.907 -14.782 No H/Q in entry = 5 In of MODEL 7 1 H ASP 49 H ASP 49 112.923 -2.320 -12.783 2 HA ASP 49 HA ASP 49 111.593 -3.924 -14.870 3 HB2 ASP 49 HB2 ASP 49 112.443 -4.526 -12.068 4 HB3 ASP 49 HB3 ASP 49 111.523 -5.653 -13.031 No H/Q in entry = 4 In of MODEL 7 1 H THR 50 H THR 50 109.516 -5.046 -14.300 2 HA THR 50 HA THR 50 107.727 -3.112 -12.982 3 HB THR 50 HB THR 50 106.837 -5.341 -14.761 4 HG1 THR 50 HG1 THR 50 106.690 -3.466 -16.277 5 HG21 THR 50 HG21 THR 50 105.591 -2.792 -13.791 6 HG22 THR 50 HG22 THR 50 104.941 -3.759 -15.115 7 HG23 THR 50 HG23 THR 50 105.064 -4.465 -13.505 No H/Q in entry = 7 In of MODEL 7 1 H VAL 51 H VAL 51 106.161 -3.743 -11.548 2 HA VAL 51 HA VAL 51 106.674 -6.339 -10.230 3 HB VAL 51 HB VAL 51 107.621 -4.235 -9.132 No H/Q in entry = 3 In of MODEL 7 1 H THR 52 H THR 52 104.945 -7.134 -8.880 2 HA THR 52 HA THR 52 102.252 -6.090 -9.592 3 HB THR 52 HB THR 52 103.132 -8.978 -9.483 4 HG1 THR 52 HG1 THR 52 103.066 -7.170 -11.436 5 HG21 THR 52 HG21 THR 52 100.451 -7.659 -9.733 6 HG22 THR 52 HG22 THR 52 100.746 -9.269 -10.384 7 HG23 THR 52 HG23 THR 52 100.948 -8.981 -8.669 No H/Q in entry = 7 In of MODEL 7 1 H VAL 53 H VAL 53 101.227 -5.507 -7.712 2 HA VAL 53 HA VAL 53 101.642 -7.146 -5.282 3 HB VAL 53 HB VAL 53 102.278 -5.237 -3.966 No H/Q in entry = 3 In of MODEL 7 1 H GLU 54 H GLU 54 100.254 -6.471 -3.439 2 HA GLU 54 HA GLU 54 97.753 -5.069 -4.284 3 HB2 GLU 54 HB2 GLU 54 97.721 -7.028 -1.974 4 HB3 GLU 54 HB3 GLU 54 96.404 -6.404 -2.951 5 HG2 GLU 54 HG2 GLU 54 96.640 -7.955 -4.576 6 HG3 GLU 54 HG3 GLU 54 98.366 -8.061 -4.425 No H/Q in entry = 6 In of MODEL 7 1 H TYR 55 H TYR 55 96.955 -3.529 -2.591 2 HA TYR 55 HA TYR 55 98.587 -3.300 -0.203 3 HB2 TYR 55 HB2 TYR 55 99.396 -1.032 -0.884 4 HB3 TYR 55 HB3 TYR 55 100.037 -2.349 -1.872 5 HD1 TYR 55 HD1 TYR 55 97.572 0.401 -1.772 6 HD2 TYR 55 HD2 TYR 55 99.323 -2.670 -4.178 7 HE1 TYR 55 HE1 TYR 55 96.432 1.348 -3.758 8 HE2 TYR 55 HE2 TYR 55 98.202 -1.727 -6.170 9 HH TYR 55 HH TYR 55 97.294 0.617 -6.853 No H/Q in entry = 9 In of MODEL 7 1 H THR 56 H THR 56 98.030 -1.483 1.178 2 HA THR 56 HA THR 56 95.457 -0.215 0.601 3 HB THR 56 HB THR 56 96.178 -1.608 3.123 4 HG1 THR 56 HG1 THR 56 93.593 -1.353 2.316 5 HG21 THR 56 HG21 THR 56 94.230 0.698 2.892 6 HG22 THR 56 HG22 THR 56 94.386 -0.361 4.293 7 HG23 THR 56 HG23 THR 56 95.709 0.707 3.846 No H/Q in entry = 7 In of MODEL 7 1 H GLY 57 H GLY 57 95.420 1.937 0.776 2 HA2 GLY 57 HA2 GLY 57 97.021 3.814 0.513 3 HA3 GLY 57 HA3 GLY 57 97.872 3.193 1.917 No H/Q in entry = 3 In of MODEL 7 1 H ARG 58 H ARG 58 97.663 4.826 3.382 2 HA ARG 58 HA ARG 58 95.070 6.085 3.724 3 HB2 ARG 58 HB2 ARG 58 94.758 5.536 5.978 4 HB3 ARG 58 HB3 ARG 58 95.116 4.015 5.171 5 HG2 ARG 58 HG2 ARG 58 97.375 3.988 5.982 6 HG3 ARG 58 HG3 ARG 58 97.279 5.640 6.569 7 HD2 ARG 58 HD2 ARG 58 96.899 4.609 8.565 8 HD3 ARG 58 HD3 ARG 58 95.243 4.554 7.987 9 HE ARG 58 HE ARG 58 97.149 2.322 8.079 10 HH11 ARG 58 HH11 ARG 58 94.032 3.541 7.148 11 HH12 ARG 58 HH12 ARG 58 93.317 1.970 7.021 12 HH21 ARG 58 HH21 ARG 58 96.212 0.282 7.896 13 HH22 ARG 58 HH22 ARG 58 94.547 0.124 7.448 No H/Q in entry = 13 In of MODEL 7 1 H LEU 59 H LEU 59 95.093 7.749 5.395 2 HA LEU 59 HA LEU 59 97.455 9.430 5.105 3 HB2 LEU 59 HB2 LEU 59 94.634 9.744 5.872 4 HB3 LEU 59 HB3 LEU 59 95.707 10.798 6.758 5 HG LEU 59 HG LEU 59 96.669 11.434 4.438 6 HD11 LEU 59 HD11 LEU 59 95.580 9.611 3.186 7 HD12 LEU 59 HD12 LEU 59 94.018 10.252 3.614 8 HD13 LEU 59 HD13 LEU 59 95.075 11.186 2.596 9 HD21 LEU 59 HD21 LEU 59 95.094 12.811 5.929 10 HD22 LEU 59 HD22 LEU 59 95.133 13.206 4.219 11 HD23 LEU 59 HD23 LEU 59 93.802 12.275 4.864 No H/Q in entry = 11 In of MODEL 7 1 H ILE 60 H ILE 60 98.278 10.555 7.024 2 HA ILE 60 HA ILE 60 99.232 8.780 8.998 3 HB ILE 60 HB ILE 60 100.182 10.667 10.055 4 HD11 ILE 60 HD11 ILE 60 98.782 12.826 7.356 5 HD12 ILE 60 HD12 ILE 60 97.354 11.960 7.913 6 HD13 ILE 60 HD13 ILE 60 97.602 13.617 8.405 No H/Q in entry = 6 In of MODEL 7 1 H ASP 61 H ASP 61 96.438 10.674 8.709 2 HA ASP 61 HA ASP 61 95.671 10.504 11.511 3 HB2 ASP 61 HB2 ASP 61 95.405 12.569 10.114 4 HB3 ASP 61 HB3 ASP 61 94.157 11.716 9.201 No H/Q in entry = 4 In of MODEL 7 1 H GLY 62 H GLY 62 95.526 8.382 9.032 2 HA2 GLY 62 HA2 GLY 62 93.246 7.001 10.235 3 HA3 GLY 62 HA3 GLY 62 94.415 6.324 9.124 No H/Q in entry = 3 In of MODEL 7 1 H THR 63 H THR 63 93.435 9.233 7.782 2 HA THR 63 HA THR 63 90.892 8.423 6.723 3 HB THR 63 HB THR 63 92.694 10.414 5.372 4 HG1 THR 63 HG1 THR 63 92.737 11.309 7.288 5 HG21 THR 63 HG21 THR 63 90.468 9.640 4.425 6 HG22 THR 63 HG22 THR 63 89.729 10.450 5.797 7 HG23 THR 63 HG23 THR 63 90.665 11.383 4.631 No H/Q in entry = 7 In of MODEL 7 1 H VAL 64 H VAL 64 90.859 6.529 5.631 2 HA VAL 64 HA VAL 64 92.968 5.746 3.871 3 HB VAL 64 HB VAL 64 90.209 4.589 4.183 No H/Q in entry = 3 In of MODEL 7 1 H PHE 65 H PHE 65 93.383 6.437 1.992 2 HA PHE 65 HA PHE 65 91.172 7.598 0.392 3 HB2 PHE 65 HB2 PHE 65 92.678 9.134 -0.520 4 HB3 PHE 65 HB3 PHE 65 92.967 9.129 1.215 5 HD1 PHE 65 HD1 PHE 65 94.855 7.655 2.104 6 HD2 PHE 65 HD2 PHE 65 94.476 8.751 -2.020 7 HE1 PHE 65 HE1 PHE 65 97.265 7.179 1.764 8 HE2 PHE 65 HE2 PHE 65 96.884 8.284 -2.358 9 HZ PHE 65 HZ PHE 65 98.281 7.496 -0.470 No H/Q in entry = 9 In of MODEL 7 1 H ASP 66 H ASP 66 93.273 5.022 0.559 2 HA ASP 66 HA ASP 66 92.495 4.160 -2.078 3 HB2 ASP 66 HB2 ASP 66 95.047 3.526 -2.514 4 HB3 ASP 66 HB3 ASP 66 94.407 5.080 -3.009 No H/Q in entry = 4 In of MODEL 7 1 H SER 67 H SER 67 92.602 1.954 -2.383 2 HA SER 67 HA SER 67 93.890 0.280 -0.457 3 HB2 SER 67 HB2 SER 67 91.951 -0.802 0.433 4 HB3 SER 67 HB3 SER 67 91.847 0.923 0.749 5 HG SER 67 HG SER 67 90.392 -0.686 -1.019 No H/Q in entry = 5 In of MODEL 7 1 H THR 68 H THR 68 94.023 -1.899 -1.006 2 HA THR 68 HA THR 68 92.734 -2.829 -3.453 3 HB THR 68 HB THR 68 95.740 -2.532 -3.309 4 HG1 THR 68 HG1 THR 68 95.347 -1.160 -5.115 5 HG21 THR 68 HG21 THR 68 93.892 -3.857 -5.280 6 HG22 THR 68 HG22 THR 68 95.517 -3.344 -5.716 7 HG23 THR 68 HG23 THR 68 95.288 -4.541 -4.453 No H/Q in entry = 7 In of MODEL 7 1 H GLU 69 H GLU 69 95.157 -3.389 -0.940 2 HA GLU 69 HA GLU 69 95.279 -6.186 -1.270 3 HB2 GLU 69 HB2 GLU 69 96.315 -6.240 0.922 4 HB3 GLU 69 HB3 GLU 69 97.001 -5.008 -0.119 5 HG2 GLU 69 HG2 GLU 69 96.743 -3.903 1.913 6 HG3 GLU 69 HG3 GLU 69 95.385 -3.400 0.933 No H/Q in entry = 6 In of MODEL 7 1 H LYS 70 H LYS 70 92.981 -4.120 0.255 2 HA LYS 70 HA LYS 70 91.780 -5.925 1.996 3 HB2 LYS 70 HB2 LYS 70 90.502 -3.778 0.307 4 HB3 LYS 70 HB3 LYS 70 89.719 -4.580 1.670 5 HG2 LYS 70 HG2 LYS 70 92.351 -3.126 1.866 6 HG3 LYS 70 HG3 LYS 70 90.803 -2.347 2.200 7 HD2 LYS 70 HD2 LYS 70 90.403 -4.282 3.875 8 HD3 LYS 70 HD3 LYS 70 92.123 -4.608 3.719 9 HE2 LYS 70 HE2 LYS 70 92.661 -2.339 4.396 10 HE3 LYS 70 HE3 LYS 70 90.946 -1.948 4.528 11 HZ1 LYS 70 HZ1 LYS 70 91.234 -4.216 6.009 12 HZ2 LYS 70 HZ2 LYS 70 92.642 -3.338 6.365 13 HZ3 LYS 70 HZ3 LYS 70 91.121 -2.636 6.624 No H/Q in entry = 13 In of MODEL 7 1 H THR 71 H THR 71 91.366 -5.332 -1.425 2 HA THR 71 HA THR 71 89.445 -7.428 -1.849 3 HB THR 71 HB THR 71 89.808 -6.977 -4.221 4 HG1 THR 71 HG1 THR 71 91.877 -5.264 -3.350 5 HG21 THR 71 HG21 THR 71 89.748 -4.492 -2.500 6 HG22 THR 71 HG22 THR 71 89.349 -4.509 -4.216 7 HG23 THR 71 HG23 THR 71 88.356 -5.410 -3.070 No H/Q in entry = 7 In of MODEL 7 1 H GLY 72 H GLY 72 92.907 -6.998 -1.994 2 HA2 GLY 72 HA2 GLY 72 93.367 -9.840 -1.900 3 HA3 GLY 72 HA3 GLY 72 94.586 -8.577 -1.796 No H/Q in entry = 3 In of MODEL 7 1 H LYS 73 H LYS 73 93.157 -7.424 -4.308 2 HA LYS 73 HA LYS 73 94.177 -9.336 -6.295 3 HB2 LYS 73 HB2 LYS 73 92.265 -7.037 -6.405 4 HB3 LYS 73 HB3 LYS 73 93.067 -7.545 -7.886 5 HG2 LYS 73 HG2 LYS 73 91.253 -8.928 -8.059 6 HG3 LYS 73 HG3 LYS 73 92.206 -9.977 -7.023 7 HD2 LYS 73 HD2 LYS 73 91.081 -8.759 -5.048 8 HD3 LYS 73 HD3 LYS 73 89.951 -8.128 -6.247 9 HE2 LYS 73 HE2 LYS 73 90.264 -10.908 -5.212 10 HE3 LYS 73 HE3 LYS 73 88.803 -10.059 -5.711 11 HZ1 LYS 73 HZ1 LYS 73 90.889 -11.062 -7.571 12 HZ2 LYS 73 HZ2 LYS 73 89.435 -11.867 -7.227 13 HZ3 LYS 73 HZ3 LYS 73 89.408 -10.355 -8.001 No H/Q in entry = 13 In of MODEL 7 1 HA PRO 74 HA PRO 74 97.876 -6.855 -6.357 2 HB2 PRO 74 HB2 PRO 74 98.591 -8.480 -8.734 3 HB3 PRO 74 HB3 PRO 74 99.482 -8.210 -7.226 4 HG2 PRO 74 HG2 PRO 74 98.280 -10.525 -7.718 5 HG3 PRO 74 HG3 PRO 74 98.319 -9.828 -6.097 6 HD2 PRO 74 HD2 PRO 74 96.091 -9.845 -8.084 7 HD3 PRO 74 HD3 PRO 74 96.086 -10.124 -6.335 No H/Q in entry = 7 In of MODEL 7 1 H ALA 75 H ALA 75 98.854 -5.285 -7.581 2 HA ALA 75 HA ALA 75 97.520 -4.440 -10.091 3 HB1 ALA 75 HB1 ALA 75 97.147 -3.045 -7.865 4 HB2 ALA 75 HB2 ALA 75 97.424 -2.226 -9.401 5 HB3 ALA 75 HB3 ALA 75 98.746 -2.419 -8.253 No H/Q in entry = 5 In of MODEL 7 1 H THR 76 H THR 76 99.008 -3.467 -11.653 2 HA THR 76 HA THR 76 101.832 -4.143 -11.092 3 HB THR 76 HB THR 76 101.100 -5.466 -12.882 4 HG1 THR 76 HG1 THR 76 102.956 -4.770 -13.620 5 HG21 THR 76 HG21 THR 76 99.759 -2.938 -13.838 6 HG22 THR 76 HG22 THR 76 100.047 -4.297 -14.923 7 HG23 THR 76 HG23 THR 76 99.023 -4.506 -13.502 No H/Q in entry = 7 In of MODEL 7 1 H PHE 77 H PHE 77 103.388 -2.751 -11.184 2 HA PHE 77 HA PHE 77 103.028 -0.143 -12.498 3 HB2 PHE 77 HB2 PHE 77 104.191 -0.425 -9.727 4 HB3 PHE 77 HB3 PHE 77 103.986 1.051 -10.636 5 HD1 PHE 77 HD1 PHE 77 102.618 -0.975 -8.153 6 HD2 PHE 77 HD2 PHE 77 101.488 1.536 -11.451 7 HE1 PHE 77 HE1 PHE 77 100.362 -0.711 -7.183 8 HE2 PHE 77 HE2 PHE 77 99.241 1.836 -10.476 9 HZ PHE 77 HZ PHE 77 98.667 0.728 -8.345 No H/Q in entry = 9 In of MODEL 7 1 H GLN 78 H GLN 78 104.984 0.802 -13.036 2 HA GLN 78 HA GLN 78 107.280 -1.009 -13.042 3 HB2 GLN 78 HB2 GLN 78 106.628 1.451 -14.627 4 HB3 GLN 78 HB3 GLN 78 108.285 0.902 -14.483 5 HG2 GLN 78 HG2 GLN 78 107.494 -1.351 -15.269 6 HG3 GLN 78 HG3 GLN 78 105.958 -0.599 -15.650 7 HE21 GLN 78 HE21 GLN 78 108.197 1.751 -16.071 8 HE22 GLN 78 HE22 GLN 78 108.526 1.570 -17.723 No H/Q in entry = 8 In of MODEL 7 1 H VAL 79 H VAL 79 108.799 -0.774 -11.600 2 HA VAL 79 HA VAL 79 108.577 0.781 -9.389 3 HB VAL 79 HB VAL 79 111.207 -0.012 -10.653 No H/Q in entry = 3 In of MODEL 7 1 H SER 80 H SER 80 109.942 1.697 -12.534 2 HA SER 80 HA SER 80 111.145 4.095 -11.567 3 HB2 SER 80 HB2 SER 80 112.156 3.456 -13.543 4 HB3 SER 80 HB3 SER 80 110.638 2.922 -14.255 5 HG SER 80 HG SER 80 111.739 5.487 -14.046 No H/Q in entry = 5 In of MODEL 7 1 H GLN 81 H GLN 81 107.979 3.236 -12.615 2 HA GLN 81 HA GLN 81 107.190 6.055 -12.962 3 HB2 GLN 81 HB2 GLN 81 105.518 3.601 -13.368 4 HB3 GLN 81 HB3 GLN 81 105.201 5.245 -13.906 5 HG2 GLN 81 HG2 GLN 81 107.496 3.522 -14.838 6 HG3 GLN 81 HG3 GLN 81 106.017 3.911 -15.751 7 HE21 GLN 81 HE21 GLN 81 109.159 4.729 -15.744 8 HE22 GLN 81 HE22 GLN 81 109.065 6.377 -16.131 No H/Q in entry = 8 In of MODEL 7 1 H VAL 82 H VAL 82 107.188 3.727 -10.435 2 HA VAL 82 HA VAL 82 104.673 4.691 -9.254 3 HB VAL 82 HB VAL 82 105.520 2.262 -9.244 No H/Q in entry = 3 In of MODEL 7 1 H ILE 83 H ILE 83 104.701 5.207 -6.827 2 HA ILE 83 HA ILE 83 105.900 7.660 -6.550 3 HB ILE 83 HB ILE 83 105.560 6.602 -3.875 4 HD11 ILE 83 HD11 ILE 83 103.225 6.522 -3.021 5 HD12 ILE 83 HD12 ILE 83 101.965 6.248 -4.215 6 HD13 ILE 83 HD13 ILE 83 102.668 4.891 -3.351 No H/Q in entry = 6 In of MODEL 7 1 HA PRO 84 HA PRO 84 110.245 7.098 -5.758 2 HB2 PRO 84 HB2 PRO 84 109.850 8.931 -3.423 3 HB3 PRO 84 HB3 PRO 84 111.062 9.014 -4.713 4 HG2 PRO 84 HG2 PRO 84 108.973 10.646 -4.694 5 HG3 PRO 84 HG3 PRO 84 109.582 9.963 -6.196 6 HD2 PRO 84 HD2 PRO 84 107.143 9.256 -4.698 7 HD3 PRO 84 HD3 PRO 84 107.427 9.196 -6.435 No H/Q in entry = 7 In of MODEL 7 1 H GLY 85 H GLY 85 108.246 7.289 -2.805 2 HA2 GLY 85 HA2 GLY 85 108.235 5.926 -0.942 3 HA3 GLY 85 HA3 GLY 85 109.983 5.923 -1.090 No H/Q in entry = 3 In of MODEL 7 1 H TRP 86 H TRP 86 107.411 4.774 -3.141 2 HA TRP 86 HA TRP 86 107.693 1.994 -2.633 3 HB2 TRP 86 HB2 TRP 86 106.366 3.718 -4.680 4 HB3 TRP 86 HB3 TRP 86 106.513 2.000 -5.008 5 HD1 TRP 86 HD1 TRP 86 105.211 4.172 -2.040 6 HE1 TRP 86 HE1 TRP 86 103.141 2.995 -1.101 7 HE3 TRP 86 HE3 TRP 86 105.162 0.135 -5.035 8 HZ2 TRP 86 HZ2 TRP 86 101.660 0.585 -1.606 9 HZ3 TRP 86 HZ3 TRP 86 103.447 -1.584 -4.798 10 HH2 TRP 86 HH2 TRP 86 101.666 -1.359 -3.078 No H/Q in entry = 10 In of MODEL 7 1 H THR 87 H THR 87 109.104 4.205 -5.014 2 HA THR 87 HA THR 87 110.166 2.450 -6.833 3 HB THR 87 HB THR 87 111.573 4.898 -5.768 4 HG1 THR 87 HG1 THR 87 110.354 5.948 -7.418 5 HG21 THR 87 HG21 THR 87 112.762 3.326 -7.407 6 HG22 THR 87 HG22 THR 87 111.551 3.836 -8.572 7 HG23 THR 87 HG23 THR 87 112.625 5.014 -7.868 No H/Q in entry = 7 In of MODEL 7 1 H GLU 88 H GLU 88 111.783 3.646 -3.898 2 HA GLU 88 HA GLU 88 114.020 1.899 -4.192 3 HB2 GLU 88 HB2 GLU 88 114.017 4.093 -2.974 4 HB3 GLU 88 HB3 GLU 88 113.116 3.302 -1.679 5 HG2 GLU 88 HG2 GLU 88 115.433 3.190 -1.057 6 HG3 GLU 88 HG3 GLU 88 114.986 1.572 -1.593 No H/Q in entry = 6 In of MODEL 7 1 H ALA 89 H ALA 89 111.129 1.807 -2.140 2 HA ALA 89 HA ALA 89 111.799 -0.379 -0.556 3 HB1 ALA 89 HB1 ALA 89 109.090 0.522 -1.512 4 HB2 ALA 89 HB2 ALA 89 109.910 0.998 -0.028 5 HB3 ALA 89 HB3 ALA 89 109.365 -0.660 -0.240 No H/Q in entry = 5 In of MODEL 7 1 H LEU 90 H LEU 90 110.013 -0.475 -3.690 2 HA LEU 90 HA LEU 90 109.430 -3.214 -3.639 3 HB2 LEU 90 HB2 LEU 90 110.089 -1.495 -6.038 4 HB3 LEU 90 HB3 LEU 90 109.294 -3.054 -6.095 5 HG LEU 90 HG LEU 90 108.180 -0.772 -4.470 6 HD11 LEU 90 HD11 LEU 90 107.796 -1.417 -7.380 7 HD12 LEU 90 HD12 LEU 90 106.691 -0.407 -6.496 8 HD13 LEU 90 HD13 LEU 90 108.370 0.083 -6.690 9 HD21 LEU 90 HD21 LEU 90 107.092 -3.339 -5.573 10 HD22 LEU 90 HD22 LEU 90 107.149 -2.838 -3.899 11 HD23 LEU 90 HD23 LEU 90 106.039 -2.061 -5.036 No H/Q in entry = 11 In of MODEL 7 1 H GLN 91 H GLN 91 112.260 -1.469 -4.787 2 HA GLN 91 HA GLN 91 113.656 -3.649 -5.881 3 HB2 GLN 91 HB2 GLN 91 114.723 -1.081 -4.716 4 HB3 GLN 91 HB3 GLN 91 115.592 -2.161 -5.801 5 HG2 GLN 91 HG2 GLN 91 113.993 -1.768 -7.574 6 HG3 GLN 91 HG3 GLN 91 112.963 -0.837 -6.490 7 HE21 GLN 91 HE21 GLN 91 113.150 1.262 -7.423 8 HE22 GLN 91 HE22 GLN 91 114.632 2.064 -7.629 No H/Q in entry = 8 In of MODEL 7 1 H LEU 92 H LEU 92 113.199 -2.564 -2.619 2 HA LEU 92 HA LEU 92 115.402 -4.288 -1.625 3 HB2 LEU 92 HB2 LEU 92 113.704 -2.260 -0.158 4 HB3 LEU 92 HB3 LEU 92 115.062 -3.154 0.521 5 HG LEU 92 HG LEU 92 115.261 -1.230 -1.801 6 HD11 LEU 92 HD11 LEU 92 115.965 -0.932 1.103 7 HD12 LEU 92 HD12 LEU 92 116.405 0.207 -0.171 8 HD13 LEU 92 HD13 LEU 92 114.711 -0.060 0.222 9 HD21 LEU 92 HD21 LEU 92 117.241 -2.911 -0.308 10 HD22 LEU 92 HD22 LEU 92 117.050 -2.729 -2.050 11 HD23 LEU 92 HD23 LEU 92 117.732 -1.420 -1.098 No H/Q in entry = 11 In of MODEL 7 1 H MET 93 H MET 93 112.108 -4.276 -2.145 2 HA MET 93 HA MET 93 111.394 -5.939 0.124 3 HB2 MET 93 HB2 MET 93 109.934 -4.169 -0.731 4 HB3 MET 93 HB3 MET 93 109.811 -5.036 -2.261 5 HG2 MET 93 HG2 MET 93 108.710 -6.869 -1.244 6 HG3 MET 93 HG3 MET 93 109.071 -6.282 0.385 7 HE1 MET 93 HE1 MET 93 106.539 -7.245 -0.840 8 HE2 MET 93 HE2 MET 93 106.024 -6.524 0.668 9 HE3 MET 93 HE3 MET 93 105.213 -6.118 -0.839 No H/Q in entry = 9 In of MODEL 7 1 HA PRO 94 HA PRO 94 112.377 -9.541 -2.604 2 HB2 PRO 94 HB2 PRO 94 111.988 -11.120 -0.156 3 HB3 PRO 94 HB3 PRO 94 113.416 -11.014 -1.192 4 HG2 PRO 94 HG2 PRO 94 113.380 -9.941 1.252 5 HG3 PRO 94 HG3 PRO 94 114.220 -9.149 -0.097 6 HD2 PRO 94 HD2 PRO 94 111.508 -8.549 1.030 7 HD3 PRO 94 HD3 PRO 94 112.819 -7.452 0.619 No H/Q in entry = 7 In of MODEL 7 1 H ALA 95 H ALA 95 111.135 -11.103 -3.557 2 HA ALA 95 HA ALA 95 108.350 -10.791 -3.376 3 HB1 ALA 95 HB1 ALA 95 110.020 -12.854 -4.772 4 HB2 ALA 95 HB2 ALA 95 108.260 -12.790 -4.889 5 HB3 ALA 95 HB3 ALA 95 109.231 -11.444 -5.477 No H/Q in entry = 5 In of MODEL 7 1 H GLY 96 H GLY 96 106.772 -11.839 -2.452 2 HA2 GLY 96 HA2 GLY 96 107.331 -14.288 -0.935 3 HA3 GLY 96 HA3 GLY 96 105.748 -13.609 -1.315 No H/Q in entry = 3 In of MODEL 7 1 H SER 97 H SER 97 108.163 -11.389 -0.335 2 HA SER 97 HA SER 97 107.437 -11.486 2.488 3 HB2 SER 97 HB2 SER 97 109.309 -10.169 2.851 4 HB3 SER 97 HB3 SER 97 109.780 -10.939 1.337 5 HG SER 97 HG SER 97 109.720 -9.050 0.442 No H/Q in entry = 5 In of MODEL 7 1 H THR 98 H THR 98 105.968 -10.234 3.428 2 HA THR 98 HA THR 98 104.678 -8.132 1.823 3 HB THR 98 HB THR 98 103.691 -9.423 4.373 4 HG1 THR 98 HG1 THR 98 103.867 -10.635 2.221 5 HG21 THR 98 HG21 THR 98 102.486 -7.505 2.356 6 HG22 THR 98 HG22 THR 98 101.561 -8.374 3.586 7 HG23 THR 98 HG23 THR 98 102.801 -7.221 4.067 No H/Q in entry = 7 In of MODEL 7 1 H TRP 99 H TRP 99 105.399 -6.170 2.175 2 HA TRP 99 HA TRP 99 106.380 -5.449 4.870 3 HB2 TRP 99 HB2 TRP 99 107.166 -4.393 2.146 4 HB3 TRP 99 HB3 TRP 99 107.642 -3.631 3.654 5 HD1 TRP 99 HD1 TRP 99 107.747 -7.360 3.959 6 HE1 TRP 99 HE1 TRP 99 110.143 -8.190 3.826 7 HE3 TRP 99 HE3 TRP 99 109.980 -3.073 2.356 8 HZ2 TRP 99 HZ2 TRP 99 112.732 -7.149 3.129 9 HZ3 TRP 99 HZ3 TRP 99 112.432 -3.020 1.976 10 HH2 TRP 99 HH2 TRP 99 113.810 -5.047 2.363 No H/Q in entry = 10 In of MODEL 7 1 H GLU 100 H GLU 100 106.272 -3.151 5.311 2 HA GLU 100 HA GLU 100 103.955 -1.742 4.173 3 HB2 GLU 100 HB2 GLU 100 104.620 -2.136 7.088 4 HB3 GLU 100 HB3 GLU 100 103.708 -0.733 6.551 5 HG2 GLU 100 HG2 GLU 100 102.015 -2.151 5.587 6 HG3 GLU 100 HG3 GLU 100 102.924 -3.595 5.981 No H/Q in entry = 6 In of MODEL 7 1 H ILE 101 H ILE 101 104.565 0.307 3.530 2 HA ILE 101 HA ILE 101 107.027 1.369 4.675 3 HB ILE 101 HB ILE 101 107.970 1.932 2.659 4 HD11 ILE 101 HD11 ILE 101 108.004 2.604 0.389 5 HD12 ILE 101 HD12 ILE 101 107.252 1.099 -0.130 6 HD13 ILE 101 HD13 ILE 101 106.544 2.637 -0.585 No H/Q in entry = 6 In of MODEL 7 1 H TYR 102 H TYR 102 107.100 3.376 5.219 2 HA TYR 102 HA TYR 102 104.587 4.925 5.046 3 HB2 TYR 102 HB2 TYR 102 106.907 5.203 6.965 4 HB3 TYR 102 HB3 TYR 102 105.373 6.019 7.085 5 HD1 TYR 102 HD1 TYR 102 106.381 2.394 6.552 6 HD2 TYR 102 HD2 TYR 102 104.114 5.186 8.884 7 HE1 TYR 102 HE1 TYR 102 105.495 0.546 7.853 8 HE2 TYR 102 HE2 TYR 102 103.221 3.308 10.227 9 HH TYR 102 HH TYR 102 104.536 0.159 10.079 No H/Q in entry = 9 In of MODEL 7 1 H VAL 103 H VAL 103 104.845 6.108 3.246 2 HA VAL 103 HA VAL 103 107.389 7.097 2.449 3 HB VAL 103 HB VAL 103 104.793 7.610 1.111 No H/Q in entry = 3 In of MODEL 7 1 HA PRO 104 HA PRO 104 106.828 11.150 4.369 2 HB2 PRO 104 HB2 PRO 104 109.072 11.743 2.483 3 HB3 PRO 104 HB3 PRO 104 108.952 12.086 4.219 4 HG2 PRO 104 HG2 PRO 104 110.492 10.099 3.239 5 HG3 PRO 104 HG3 PRO 104 109.716 9.996 4.812 6 HD2 PRO 104 HD2 PRO 104 109.058 8.576 2.318 7 HD3 PRO 104 HD3 PRO 104 108.697 8.136 4.002 No H/Q in entry = 7 In of MODEL 7 1 H SER 105 H SER 105 105.737 12.964 3.577 2 HA SER 105 HA SER 105 104.249 12.770 1.284 3 HB2 SER 105 HB2 SER 105 103.749 15.126 1.523 4 HB3 SER 105 HB3 SER 105 103.857 14.404 3.125 5 HG SER 105 HG SER 105 105.607 16.148 1.806 No H/Q in entry = 5 In of MODEL 7 1 H GLY 106 H GLY 106 107.490 14.037 1.673 2 HA2 GLY 106 HA2 GLY 106 109.069 14.735 0.156 3 HA3 GLY 106 HA3 GLY 106 107.750 15.269 -0.876 No H/Q in entry = 3 In of MODEL 7 1 H LEU 107 H LEU 107 108.160 11.986 0.290 2 HA LEU 107 HA LEU 107 109.150 11.102 -2.352 3 HB2 LEU 107 HB2 LEU 107 108.934 9.608 0.275 4 HB3 LEU 107 HB3 LEU 107 109.618 8.954 -1.192 5 HG LEU 107 HG LEU 107 110.683 11.287 0.415 6 HD11 LEU 107 HD11 LEU 107 111.172 9.035 1.318 7 HD12 LEU 107 HD12 LEU 107 111.871 8.589 -0.228 8 HD13 LEU 107 HD13 LEU 107 112.631 9.839 0.744 9 HD21 LEU 107 HD21 LEU 107 111.380 10.287 -2.324 10 HD22 LEU 107 HD22 LEU 107 111.219 11.947 -1.766 11 HD23 LEU 107 HD23 LEU 107 112.635 11.000 -1.319 No H/Q in entry = 11 In of MODEL 7 1 H ALA 108 H ALA 108 106.196 11.604 -0.969 2 HA ALA 108 HA ALA 108 105.001 9.188 -2.147 3 HB1 ALA 108 HB1 ALA 108 103.690 11.147 -0.261 4 HB2 ALA 108 HB2 ALA 108 103.075 9.590 -0.779 5 HB3 ALA 108 HB3 ALA 108 104.472 9.682 0.255 No H/Q in entry = 5 In of MODEL 7 1 H TYR 109 H TYR 109 102.767 11.637 -1.572 2 HA TYR 109 HA TYR 109 102.531 12.081 -4.424 3 HB2 TYR 109 HB2 TYR 109 100.597 12.162 -2.161 4 HB3 TYR 109 HB3 TYR 109 100.195 12.895 -3.720 5 HD1 TYR 109 HD1 TYR 109 100.469 9.833 -1.904 6 HD2 TYR 109 HD2 TYR 109 100.629 11.461 -5.864 7 HE1 TYR 109 HE1 TYR 109 100.166 7.589 -2.840 8 HE2 TYR 109 HE2 TYR 109 100.353 9.228 -6.807 9 HH TYR 109 HH TYR 109 100.856 6.833 -6.002 No H/Q in entry = 9 In of MODEL 7 1 H GLY 110 H GLY 110 104.110 13.672 -2.151 2 HA2 GLY 110 HA2 GLY 110 103.572 16.267 -3.468 3 HA3 GLY 110 HA3 GLY 110 105.115 15.759 -2.826 No H/Q in entry = 3 In of MODEL 7 1 HA PRO 111 HA PRO 111 104.208 17.816 0.965 2 HB2 PRO 111 HB2 PRO 111 105.172 20.279 0.540 3 HB3 PRO 111 HB3 PRO 111 106.239 18.864 0.525 4 HG2 PRO 111 HG2 PRO 111 105.040 20.316 -1.791 5 HG3 PRO 111 HG3 PRO 111 106.716 19.790 -1.551 6 HD2 PRO 111 HD2 PRO 111 104.923 18.360 -3.029 7 HD3 PRO 111 HD3 PRO 111 106.241 17.594 -2.126 No H/Q in entry = 7 In of MODEL 7 1 H ARG 112 H ARG 112 102.665 18.681 -1.912 2 HA ARG 112 HA ARG 112 100.811 20.585 -0.599 3 HB2 ARG 112 HB2 ARG 112 101.367 19.988 -3.514 4 HB3 ARG 112 HB3 ARG 112 100.089 21.062 -2.950 5 HG2 ARG 112 HG2 ARG 112 101.755 22.502 -1.859 6 HG3 ARG 112 HG3 ARG 112 103.049 21.419 -2.379 7 HD2 ARG 112 HD2 ARG 112 102.371 21.815 -4.749 8 HD3 ARG 112 HD3 ARG 112 101.181 22.981 -4.183 9 HE ARG 112 HE ARG 112 104.020 23.401 -4.410 10 HH11 ARG 112 HH11 ARG 112 101.128 24.269 -2.704 11 HH12 ARG 112 HH12 ARG 112 101.720 25.828 -2.231 12 HH21 ARG 112 HH21 ARG 112 104.790 25.435 -3.788 13 HH22 ARG 112 HH22 ARG 112 103.789 26.487 -2.843 No H/Q in entry = 13 In of MODEL 7 1 H SER 113 H SER 113 98.491 20.327 -1.410 2 HA SER 113 HA SER 113 97.652 17.627 -0.911 3 HB2 SER 113 HB2 SER 113 95.845 19.785 -1.973 4 HB3 SER 113 HB3 SER 113 95.493 18.494 -0.831 5 HG SER 113 HG SER 113 95.891 20.779 -0.057 No H/Q in entry = 5 In of MODEL 7 1 H VAL 114 H VAL 114 98.315 16.270 -2.573 2 HA VAL 114 HA VAL 114 97.415 16.972 -5.322 3 HB VAL 114 HB VAL 114 99.456 14.873 -4.611 No H/Q in entry = 3 In of MODEL 7 1 H GLY 115 H GLY 115 95.293 16.130 -4.065 2 HA2 GLY 115 HA2 GLY 115 95.028 13.283 -3.853 3 HA3 GLY 115 HA3 GLY 115 94.399 13.878 -5.384 No H/Q in entry = 3 In of MODEL 7 1 H GLY 116 H GLY 116 92.585 12.689 -4.002 2 HA2 GLY 116 HA2 GLY 116 90.504 12.861 -3.031 3 HA3 GLY 116 HA3 GLY 116 90.551 14.543 -3.517 No H/Q in entry = 3 In of MODEL 7 1 HA PRO 117 HA PRO 117 90.421 14.431 1.142 2 HB2 PRO 117 HB2 PRO 117 91.255 12.239 2.520 3 HB3 PRO 117 HB3 PRO 117 89.638 12.367 1.808 4 HG2 PRO 117 HG2 PRO 117 92.074 11.084 0.663 5 HG3 PRO 117 HG3 PRO 117 90.439 10.433 0.794 6 HD2 PRO 117 HD2 PRO 117 91.285 11.437 -1.501 7 HD3 PRO 117 HD3 PRO 117 89.636 11.787 -0.933 No H/Q in entry = 7 In of MODEL 7 1 H ILE 118 H ILE 118 93.221 13.345 -0.451 2 HA ILE 118 HA ILE 118 95.167 13.738 1.571 3 HB ILE 118 HB ILE 118 95.500 14.075 -1.422 4 HD11 ILE 118 HD11 ILE 118 93.944 12.478 -1.846 5 HD12 ILE 118 HD12 ILE 118 95.047 11.267 -2.487 6 HD13 ILE 118 HD13 ILE 118 93.986 10.874 -1.149 No H/Q in entry = 6 In of MODEL 7 1 H GLY 119 H GLY 119 95.463 15.597 2.572 2 HA2 GLY 119 HA2 GLY 119 95.099 17.845 3.019 3 HA3 GLY 119 HA3 GLY 119 94.767 18.144 1.329 No H/Q in entry = 3 In of MODEL 7 1 HA PRO 120 HA PRO 120 98.788 19.890 1.010 2 HB2 PRO 120 HB2 PRO 120 99.084 21.754 3.031 3 HB3 PRO 120 HB3 PRO 120 98.166 22.038 1.552 4 HG2 PRO 120 HG2 PRO 120 97.178 21.242 4.245 5 HG3 PRO 120 HG3 PRO 120 96.486 22.377 3.096 6 HD2 PRO 120 HD2 PRO 120 95.512 19.888 3.441 7 HD3 PRO 120 HD3 PRO 120 95.491 20.680 1.852 No H/Q in entry = 7 In of MODEL 7 1 H ASN 121 H ASN 121 100.875 19.291 1.508 2 HA ASN 121 HA ASN 121 102.589 18.199 2.601 3 HB2 ASN 121 HB2 ASN 121 102.283 20.383 3.915 4 HB3 ASN 121 HB3 ASN 121 101.462 19.398 5.127 5 HD21 ASN 121 HD21 ASN 121 103.111 17.023 4.863 6 HD22 ASN 121 HD22 ASN 121 104.653 17.409 5.453 No H/Q in entry = 6 In of MODEL 7 1 H GLU 122 H GLU 122 100.639 16.436 2.110 2 HA GLU 122 HA GLU 122 99.982 15.031 4.607 3 HB2 GLU 122 HB2 GLU 122 98.852 15.182 1.914 4 HB3 GLU 122 HB3 GLU 122 99.047 13.524 2.451 5 HG2 GLU 122 HG2 GLU 122 96.869 14.225 3.080 6 HG3 GLU 122 HG3 GLU 122 97.828 14.124 4.558 No H/Q in entry = 6 In of MODEL 7 1 H THR 123 H THR 123 101.009 13.250 5.265 2 HA THR 123 HA THR 123 103.031 12.005 3.501 3 HB THR 123 HB THR 123 102.504 11.720 6.463 4 HG1 THR 123 HG1 THR 123 104.309 12.899 6.689 5 HG21 THR 123 HG21 THR 123 103.297 9.610 5.407 6 HG22 THR 123 HG22 THR 123 104.668 10.486 4.771 7 HG23 THR 123 HG23 THR 123 104.479 10.290 6.511 No H/Q in entry = 7 In of MODEL 7 1 H LEU 124 H LEU 124 102.536 10.105 2.543 2 HA LEU 124 HA LEU 124 100.057 8.707 3.416 3 HB2 LEU 124 HB2 LEU 124 101.417 8.699 0.710 4 HB3 LEU 124 HB3 LEU 124 99.970 7.799 1.116 5 HG LEU 124 HG LEU 124 99.094 9.673 0.023 6 HD11 LEU 124 HD11 LEU 124 98.141 9.441 2.341 7 HD12 LEU 124 HD12 LEU 124 99.213 10.758 2.802 8 HD13 LEU 124 HD13 LEU 124 97.974 11.033 1.600 9 HD21 LEU 124 HD21 LEU 124 101.298 10.845 -0.112 10 HD22 LEU 124 HD22 LEU 124 99.917 11.905 0.146 11 HD23 LEU 124 HD23 LEU 124 100.970 11.496 1.486 No H/Q in entry = 11 In of MODEL 7 1 H ILE 125 H ILE 125 100.097 6.589 3.866 2 HA ILE 125 HA ILE 125 102.663 5.125 3.649 3 HB ILE 125 HB ILE 125 102.285 5.329 5.975 4 HD11 ILE 125 HD11 ILE 125 102.017 3.824 7.691 5 HD12 ILE 125 HD12 ILE 125 100.970 2.433 7.501 6 HD13 ILE 125 HD13 ILE 125 102.694 2.287 7.206 No H/Q in entry = 6 In of MODEL 7 1 H PHE 126 H PHE 126 102.561 3.000 2.963 2 HA PHE 126 HA PHE 126 99.917 1.976 2.215 3 HB2 PHE 126 HB2 PHE 126 102.216 1.624 0.338 4 HB3 PHE 126 HB3 PHE 126 100.477 1.512 0.016 5 HD1 PHE 126 HD1 PHE 126 99.336 3.371 -0.874 6 HD2 PHE 126 HD2 PHE 126 103.127 3.904 1.063 7 HE1 PHE 126 HE1 PHE 126 99.367 5.758 -1.580 8 HE2 PHE 126 HE2 PHE 126 103.143 6.271 0.359 9 HZ PHE 126 HZ PHE 126 101.289 7.191 -0.957 No H/Q in entry = 9 In of MODEL 7 1 H LYS 127 H LYS 127 99.741 -0.290 2.072 2 HA LYS 127 HA LYS 127 101.895 -1.752 3.399 3 HB2 LYS 127 HB2 LYS 127 99.420 -3.264 2.927 4 HB3 LYS 127 HB3 LYS 127 100.279 -3.006 4.420 5 HG2 LYS 127 HG2 LYS 127 98.406 -1.022 3.167 6 HG3 LYS 127 HG3 LYS 127 97.981 -2.123 4.465 7 HD2 LYS 127 HD2 LYS 127 99.693 -1.109 5.924 8 HD3 LYS 127 HD3 LYS 127 100.134 0.015 4.656 9 HE2 LYS 127 HE2 LYS 127 97.861 0.941 4.666 10 HE3 LYS 127 HE3 LYS 127 97.400 -0.196 5.932 11 HZ1 LYS 127 HZ1 LYS 127 99.767 1.422 6.428 12 HZ2 LYS 127 HZ2 LYS 127 98.284 2.243 6.438 13 HZ3 LYS 127 HZ3 LYS 127 98.536 0.938 7.494 No H/Q in entry = 13 In of MODEL 7 1 H ILE 128 H ILE 128 103.163 -2.977 2.123 2 HA ILE 128 HA ILE 128 102.051 -3.578 -0.569 3 HB ILE 128 HB ILE 128 105.004 -3.364 -0.023 4 HD11 ILE 128 HD11 ILE 128 105.050 -0.773 -1.887 5 HD12 ILE 128 HD12 ILE 128 104.865 0.419 -0.615 6 HD13 ILE 128 HD13 ILE 128 106.011 -0.890 -0.408 No H/Q in entry = 6 In of MODEL 7 1 H HIS 129 H HIS 129 101.785 -5.501 -1.150 2 HA HIS 129 HA HIS 129 103.226 -7.739 0.142 3 HB2 HIS 129 HB2 HIS 129 100.852 -7.824 0.687 4 HB3 HIS 129 HB3 HIS 129 100.431 -7.579 -1.004 5 HD2 HIS 129 HD2 HIS 129 103.186 -10.233 0.110 6 HE1 HIS 129 HE1 HIS 129 99.949 -12.222 -1.760 7 HE2 HIS 129 HE2 HIS 129 102.305 -12.502 -0.891 No H/Q in entry = 7 In of MODEL 7 1 H LEU 130 H LEU 130 104.588 -8.820 -1.271 2 HA LEU 130 HA LEU 130 104.229 -8.222 -4.130 3 HB2 LEU 130 HB2 LEU 130 106.540 -8.612 -2.517 4 HB3 LEU 130 HB3 LEU 130 106.503 -9.890 -3.684 5 HG LEU 130 HG LEU 130 106.170 -7.010 -4.447 6 HD11 LEU 130 HD11 LEU 130 108.642 -8.719 -4.300 7 HD12 LEU 130 HD12 LEU 130 108.552 -7.315 -5.346 8 HD13 LEU 130 HD13 LEU 130 108.393 -7.128 -3.597 9 HD21 LEU 130 HD21 LEU 130 106.735 -9.550 -5.967 10 HD22 LEU 130 HD22 LEU 130 105.253 -8.603 -6.062 11 HD23 LEU 130 HD23 LEU 130 106.745 -7.956 -6.670 No H/Q in entry = 11 In of MODEL 7 1 H ILE 131 H ILE 131 103.044 -9.494 -5.333 2 HA ILE 131 HA ILE 131 102.815 -12.346 -4.685 3 HB ILE 131 HB ILE 131 101.285 -10.557 -6.591 4 HD11 ILE 131 HD11 ILE 131 100.260 -9.035 -5.161 5 HD12 ILE 131 HD12 ILE 131 99.732 -9.468 -3.539 6 HD13 ILE 131 HD13 ILE 131 101.441 -9.368 -3.894 No H/Q in entry = 6 In of MODEL 7 1 H SER 132 H SER 132 103.776 -10.206 -7.393 2 HA SER 132 HA SER 132 105.548 -12.303 -8.364 3 HB2 SER 132 HB2 SER 132 104.530 -12.733 -10.408 4 HB3 SER 132 HB3 SER 132 103.124 -12.550 -9.363 5 HG SER 132 HG SER 132 103.960 -11.032 -11.454 No H/Q in entry = 5 In of MODEL 7 1 H VAL 133 H VAL 133 107.040 -11.580 -9.989 2 HA VAL 133 HA VAL 133 107.290 -8.627 -10.212 3 HB VAL 133 HB VAL 133 109.527 -10.618 -9.696 No H/Q in entry = 3 In of MODEL 7 1 H LYS 134 H LYS 134 107.897 -7.866 -12.181 2 HA LYS 134 HA LYS 134 108.172 -9.779 -14.379 3 HB2 LYS 134 HB2 LYS 134 106.599 -7.622 -14.253 4 HB3 LYS 134 HB3 LYS 134 108.086 -6.853 -14.788 5 HG2 LYS 134 HG2 LYS 134 107.102 -7.385 -16.838 6 HG3 LYS 134 HG3 LYS 134 108.153 -8.776 -16.580 7 HD2 LYS 134 HD2 LYS 134 106.123 -9.865 -15.425 8 HD3 LYS 134 HD3 LYS 134 105.170 -8.582 -16.165 9 HE2 LYS 134 HE2 LYS 134 106.992 -10.442 -17.717 10 HE3 LYS 134 HE3 LYS 134 105.252 -10.672 -17.553 11 HZ1 LYS 134 HZ1 LYS 134 105.506 -8.070 -18.313 12 HZ2 LYS 134 HZ2 LYS 134 106.698 -8.861 -19.231 13 HZ3 LYS 134 HZ3 LYS 134 105.078 -9.363 -19.324 No H/Q in entry = 13 In of MODEL 7 1 H LYS 135 H LYS 135 109.409 -7.706 -15.998 2 HA LYS 135 HA LYS 135 111.884 -6.900 -14.924 3 HB2 LYS 135 HB2 LYS 135 111.823 -9.595 -15.726 4 HB3 LYS 135 HB3 LYS 135 112.671 -8.769 -17.013 5 HG2 LYS 135 HG2 LYS 135 113.385 -8.305 -14.124 6 HG3 LYS 135 HG3 LYS 135 114.043 -9.655 -15.040 7 HD2 LYS 135 HD2 LYS 135 114.198 -6.903 -16.230 8 HD3 LYS 135 HD3 LYS 135 115.325 -7.322 -14.948 9 HE2 LYS 135 HE2 LYS 135 114.933 -8.910 -17.496 10 HE3 LYS 135 HE3 LYS 135 116.262 -7.794 -17.196 11 HZ1 LYS 135 HZ1 LYS 135 116.114 -9.510 -15.014 12 HZ2 LYS 135 HZ2 LYS 135 116.013 -10.482 -16.403 13 HZ3 LYS 135 HZ3 LYS 135 117.331 -9.435 -16.198 No H/Q in entry = 13 In of MODEL 7 1 H SER 136 H SER 136 113.009 -5.560 -16.224 2 HA SER 136 HA SER 136 111.550 -4.097 -18.120 3 HB2 SER 136 HB2 SER 136 113.624 -2.918 -18.552 4 HB3 SER 136 HB3 SER 136 113.501 -3.250 -16.826 5 HG SER 136 HG SER 136 114.735 -5.158 -18.441 No H/Q in entry = 5 In of MODEL 7 1 H SER 137 H SER 137 113.824 -6.768 -18.514 2 HA SER 137 HA SER 137 114.434 -8.003 -20.361 3 HB2 SER 137 HB2 SER 137 112.318 -8.831 -20.759 4 HB3 SER 137 HB3 SER 137 111.595 -7.228 -20.834 5 HG SER 137 HG SER 137 111.670 -8.216 -22.887 No H/Q in entry = 5 In of MODEL 8 1 H1 PHE 1 H1 PHE 1 94.619 26.725 3.337 2 H2 PHE 1 H2 PHE 1 94.109 28.220 2.712 3 H3 PHE 1 H3 PHE 1 94.346 26.904 1.670 4 HA PHE 1 HA PHE 1 96.349 27.748 1.285 5 HB2 PHE 1 HB2 PHE 1 95.721 29.355 3.761 6 HB3 PHE 1 HB3 PHE 1 97.338 29.402 3.066 7 HD1 PHE 1 HD1 PHE 1 93.792 30.270 2.537 8 HD2 PHE 1 HD2 PHE 1 97.751 30.363 0.873 9 HE1 PHE 1 HE1 PHE 1 93.036 31.899 0.824 10 HE2 PHE 1 HE2 PHE 1 96.996 31.989 -0.839 11 HZ PHE 1 HZ PHE 1 94.638 32.760 -0.862 No H/Q in entry = 11 In of MODEL 8 1 H ASN 2 H ASN 2 98.555 28.104 2.902 2 HA ASN 2 HA ASN 2 99.336 25.459 3.449 3 HB2 ASN 2 HB2 ASN 2 100.635 27.996 4.432 4 HB3 ASN 2 HB3 ASN 2 101.397 26.413 4.275 5 HD21 ASN 2 HD21 ASN 2 100.938 25.491 1.832 6 HD22 ASN 2 HD22 ASN 2 101.322 26.609 0.613 No H/Q in entry = 6 In of MODEL 8 1 H LYS 3 H LYS 3 97.643 27.729 5.374 2 HA LYS 3 HA LYS 3 98.448 27.228 7.950 3 HB2 LYS 3 HB2 LYS 3 96.544 28.691 6.877 4 HB3 LYS 3 HB3 LYS 3 95.568 27.325 7.330 5 HG2 LYS 3 HG2 LYS 3 97.316 28.848 9.238 6 HG3 LYS 3 HG3 LYS 3 95.613 29.124 9.071 7 HD2 LYS 3 HD2 LYS 3 96.946 26.574 10.009 8 HD3 LYS 3 HD3 LYS 3 96.053 27.711 11.004 9 HE2 LYS 3 HE2 LYS 3 94.194 27.287 9.175 10 HE3 LYS 3 HE3 LYS 3 95.031 25.747 9.013 11 HZ1 LYS 3 HZ1 LYS 3 94.811 25.435 11.410 12 HZ2 LYS 3 HZ2 LYS 3 93.963 26.900 11.535 13 HZ3 LYS 3 HZ3 LYS 3 93.291 25.604 10.672 No H/Q in entry = 13 In of MODEL 8 1 H LYS 4 H LYS 4 96.233 25.294 5.959 2 HA LYS 4 HA LYS 4 95.717 23.353 7.982 3 HB2 LYS 4 HB2 LYS 4 94.502 23.903 5.675 4 HB3 LYS 4 HB3 LYS 4 95.531 22.599 5.095 5 HG2 LYS 4 HG2 LYS 4 93.604 22.442 7.422 6 HG3 LYS 4 HG3 LYS 4 93.354 21.732 5.828 7 HD2 LYS 4 HD2 LYS 4 95.568 20.460 6.265 8 HD3 LYS 4 HD3 LYS 4 95.343 20.957 7.945 9 HE2 LYS 4 HE2 LYS 4 93.086 19.934 7.950 10 HE3 LYS 4 HE3 LYS 4 93.362 19.363 6.305 11 HZ1 LYS 4 HZ1 LYS 4 95.340 18.177 7.155 12 HZ2 LYS 4 HZ2 LYS 4 94.899 18.620 8.730 13 HZ3 LYS 4 HZ3 LYS 4 93.880 17.614 7.817 No H/Q in entry = 13 In of MODEL 8 1 H ALA 5 H ALA 5 98.072 23.660 5.404 2 HA ALA 5 HA ALA 5 99.186 21.141 5.265 3 HB1 ALA 5 HB1 ALA 5 101.068 22.164 4.299 4 HB2 ALA 5 HB2 ALA 5 100.862 23.630 5.235 5 HB3 ALA 5 HB3 ALA 5 99.748 23.267 3.932 No H/Q in entry = 5 In of MODEL 8 1 H ASP 6 H ASP 6 99.604 23.611 7.658 2 HA ASP 6 HA ASP 6 101.853 22.565 8.974 3 HB2 ASP 6 HB2 ASP 6 99.587 24.292 9.877 4 HB3 ASP 6 HB3 ASP 6 100.927 23.862 10.927 No H/Q in entry = 4 In of MODEL 8 1 H GLU 7 H GLU 7 98.381 21.869 9.296 2 HA GLU 7 HA GLU 7 98.605 20.284 11.647 3 HB2 GLU 7 HB2 GLU 7 96.539 19.811 9.554 4 HB3 GLU 7 HB3 GLU 7 96.377 19.677 11.299 5 HG2 GLU 7 HG2 GLU 7 96.673 22.135 11.472 6 HG3 GLU 7 HG3 GLU 7 96.703 22.223 9.716 No H/Q in entry = 6 In of MODEL 8 1 H ASN 8 H ASN 8 98.331 19.438 8.258 2 HA ASN 8 HA ASN 8 98.638 16.642 8.507 3 HB2 ASN 8 HB2 ASN 8 99.399 18.543 6.299 4 HB3 ASN 8 HB3 ASN 8 99.382 16.805 6.122 5 HD21 ASN 8 HD21 ASN 8 97.718 18.222 4.467 6 HD22 ASN 8 HD22 ASN 8 96.106 18.061 4.957 No H/Q in entry = 6 In of MODEL 8 1 H LYS 9 H LYS 9 100.827 19.306 8.366 2 HA LYS 9 HA LYS 9 103.256 17.886 8.025 3 HB2 LYS 9 HB2 LYS 9 103.464 20.140 7.545 4 HB3 LYS 9 HB3 LYS 9 102.384 20.587 8.829 5 HG2 LYS 9 HG2 LYS 9 104.091 20.291 10.491 6 HG3 LYS 9 HG3 LYS 9 105.187 19.629 9.281 7 HD2 LYS 9 HD2 LYS 9 105.131 21.816 8.100 8 HD3 LYS 9 HD3 LYS 9 104.091 22.444 9.368 9 HE2 LYS 9 HE2 LYS 9 106.216 23.137 10.075 10 HE3 LYS 9 HE3 LYS 9 105.958 21.665 11.003 11 HZ1 LYS 9 HZ1 LYS 9 107.368 21.735 8.393 12 HZ2 LYS 9 HZ2 LYS 9 108.159 21.800 9.892 13 HZ3 LYS 9 HZ3 LYS 9 107.258 20.425 9.469 No H/Q in entry = 13 In of MODEL 8 1 H VAL 10 H VAL 10 101.718 19.220 10.992 2 HA VAL 10 HA VAL 10 103.754 18.193 12.675 3 HB VAL 10 HB VAL 10 100.965 19.123 13.305 No H/Q in entry = 3 In of MODEL 8 1 H LYS 11 H LYS 11 100.511 16.966 11.912 2 HA LYS 11 HA LYS 11 100.699 14.696 13.567 3 HB2 LYS 11 HB2 LYS 11 99.081 15.310 11.132 4 HB3 LYS 11 HB3 LYS 11 98.995 13.753 11.922 5 HG2 LYS 11 HG2 LYS 11 97.238 14.921 12.946 6 HG3 LYS 11 HG3 LYS 11 98.545 15.132 14.101 7 HD2 LYS 11 HD2 LYS 11 99.076 17.318 12.930 8 HD3 LYS 11 HD3 LYS 11 97.568 17.118 12.037 9 HE2 LYS 11 HE2 LYS 11 98.000 17.613 14.965 10 HE3 LYS 11 HE3 LYS 11 96.880 18.407 13.859 11 HZ1 LYS 11 HZ1 LYS 11 95.827 16.078 13.697 12 HZ2 LYS 11 HZ2 LYS 11 96.648 15.770 15.151 13 HZ3 LYS 11 HZ3 LYS 11 95.508 17.025 15.067 No H/Q in entry = 13 In of MODEL 8 1 H GLY 12 H GLY 12 101.657 15.459 10.317 2 HA2 GLY 12 HA2 GLY 12 102.857 14.277 8.725 3 HA3 GLY 12 HA3 GLY 12 102.519 12.813 9.625 No H/Q in entry = 3 In of MODEL 8 1 H GLU 13 H GLU 13 104.254 15.764 10.670 2 HA GLU 13 HA GLU 13 106.845 14.650 10.437 3 HB2 GLU 13 HB2 GLU 13 105.735 16.857 12.173 4 HB3 GLU 13 HB3 GLU 13 107.419 16.354 12.292 5 HG2 GLU 13 HG2 GLU 13 107.768 16.834 9.933 6 HG3 GLU 13 HG3 GLU 13 106.078 17.274 9.746 No H/Q in entry = 6 In of MODEL 8 1 H ALA 14 H ALA 14 104.373 14.504 12.870 2 HA ALA 14 HA ALA 14 105.949 13.247 14.874 3 HB1 ALA 14 HB1 ALA 14 103.922 14.541 15.416 4 HB2 ALA 14 HB2 ALA 14 102.946 13.360 14.542 5 HB3 ALA 14 HB3 ALA 14 103.805 12.885 16.005 No H/Q in entry = 5 In of MODEL 8 1 H PHE 15 H PHE 15 103.840 12.260 12.290 2 HA PHE 15 HA PHE 15 103.517 9.538 12.910 3 HB2 PHE 15 HB2 PHE 15 102.254 10.900 11.258 4 HB3 PHE 15 HB3 PHE 15 103.662 10.883 10.219 5 HD1 PHE 15 HD1 PHE 15 104.117 9.068 8.820 6 HD2 PHE 15 HD2 PHE 15 101.155 8.714 11.900 7 HE1 PHE 15 HE1 PHE 15 103.307 6.959 7.806 8 HE2 PHE 15 HE2 PHE 15 100.368 6.582 10.910 9 HZ PHE 15 HZ PHE 15 101.445 5.714 8.858 No H/Q in entry = 9 In of MODEL 8 1 H LEU 16 H LEU 16 105.856 11.174 10.804 2 HA LEU 16 HA LEU 16 107.317 8.795 10.218 3 HB2 LEU 16 HB2 LEU 16 108.003 11.725 10.003 4 HB3 LEU 16 HB3 LEU 16 109.166 10.474 9.615 5 HG LEU 16 HG LEU 16 107.120 9.546 8.122 6 HD11 LEU 16 HD11 LEU 16 106.537 12.480 8.515 7 HD12 LEU 16 HD12 LEU 16 106.141 11.688 6.994 8 HD13 LEU 16 HD13 LEU 16 105.422 11.116 8.502 9 HD21 LEU 16 HD21 LEU 16 109.190 11.630 7.501 10 HD22 LEU 16 HD22 LEU 16 109.157 9.919 7.105 11 HD23 LEU 16 HD23 LEU 16 108.097 11.035 6.249 No H/Q in entry = 11 In of MODEL 8 1 H THR 17 H THR 17 107.562 11.282 12.662 2 HA THR 17 HA THR 17 110.022 10.479 13.772 3 HB THR 17 HB THR 17 107.713 11.693 15.286 4 HG1 THR 17 HG1 THR 17 109.703 13.339 14.462 5 HG21 THR 17 HG21 THR 17 110.697 11.684 15.707 6 HG22 THR 17 HG22 THR 17 109.536 12.610 16.663 7 HG23 THR 17 HG23 THR 17 109.491 10.850 16.688 No H/Q in entry = 7 In of MODEL 8 1 H GLU 18 H GLU 18 106.701 9.509 14.421 2 HA GLU 18 HA GLU 18 107.402 7.728 16.506 3 HB2 GLU 18 HB2 GLU 18 105.226 8.836 16.443 4 HB3 GLU 18 HB3 GLU 18 104.845 7.976 14.957 5 HG2 GLU 18 HG2 GLU 18 104.960 5.843 16.094 6 HG3 GLU 18 HG3 GLU 18 105.506 6.618 17.578 No H/Q in entry = 6 In of MODEL 8 1 H ASN 19 H ASN 19 106.489 7.328 13.104 2 HA ASN 19 HA ASN 19 106.379 4.535 12.996 3 HB2 ASN 19 HB2 ASN 19 105.716 5.433 10.978 4 HB3 ASN 19 HB3 ASN 19 106.834 6.760 11.126 5 HD21 ASN 19 HD21 ASN 19 106.243 4.108 9.272 6 HD22 ASN 19 HD22 ASN 19 107.786 3.868 8.637 No H/Q in entry = 6 In of MODEL 8 1 H LYS 20 H LYS 20 109.142 6.614 12.345 2 HA LYS 20 HA LYS 20 110.872 4.551 11.665 3 HB2 LYS 20 HB2 LYS 20 112.722 6.084 12.157 4 HB3 LYS 20 HB3 LYS 20 111.445 6.899 11.262 5 HG2 LYS 20 HG2 LYS 20 110.534 7.626 13.536 6 HG3 LYS 20 HG3 LYS 20 112.050 7.048 14.217 7 HD2 LYS 20 HD2 LYS 20 111.871 9.095 11.987 8 HD3 LYS 20 HD3 LYS 20 112.073 9.503 13.693 9 HE2 LYS 20 HE2 LYS 20 114.130 7.960 13.649 10 HE3 LYS 20 HE3 LYS 20 113.984 8.035 11.899 11 HZ1 LYS 20 HZ1 LYS 20 113.791 10.609 13.109 12 HZ2 LYS 20 HZ2 LYS 20 115.266 9.846 13.463 13 HZ3 LYS 20 HZ3 LYS 20 114.795 10.081 11.849 No H/Q in entry = 13 In of MODEL 8 1 H ASN 21 H ASN 21 109.819 5.708 14.740 2 HA ASN 21 HA ASN 21 111.804 4.267 16.277 3 HB2 ASN 21 HB2 ASN 21 109.411 5.950 16.922 4 HB3 ASN 21 HB3 ASN 21 110.181 4.988 18.175 5 HD21 ASN 21 HD21 ASN 21 110.394 7.933 16.387 6 HD22 ASN 21 HD22 ASN 21 111.909 8.429 16.971 No H/Q in entry = 6 In of MODEL 8 1 H LYS 22 H LYS 22 108.559 3.714 15.127 2 HA LYS 22 HA LYS 22 107.821 1.744 16.911 3 HB2 LYS 22 HB2 LYS 22 107.021 2.348 14.116 4 HB3 LYS 22 HB3 LYS 22 106.320 0.979 14.948 5 HG2 LYS 22 HG2 LYS 22 106.002 2.987 16.835 6 HG3 LYS 22 HG3 LYS 22 105.859 3.887 15.336 7 HD2 LYS 22 HD2 LYS 22 104.268 1.380 15.924 8 HD3 LYS 22 HD3 LYS 22 103.677 3.011 16.235 9 HE2 LYS 22 HE2 LYS 22 103.651 3.564 13.943 10 HE3 LYS 22 HE3 LYS 22 104.718 2.223 13.522 11 HZ1 LYS 22 HZ1 LYS 22 102.301 1.392 14.826 12 HZ2 LYS 22 HZ2 LYS 22 102.018 2.188 13.353 13 HZ3 LYS 22 HZ3 LYS 22 103.016 0.817 13.397 No H/Q in entry = 13 In of MODEL 8 1 HA PRO 23 HA PRO 23 110.365 -1.804 16.048 2 HB2 PRO 23 HB2 PRO 23 107.925 -3.504 16.278 3 HB3 PRO 23 HB3 PRO 23 109.458 -3.600 17.165 4 HG2 PRO 23 HG2 PRO 23 107.254 -2.646 18.312 5 HG3 PRO 23 HG3 PRO 23 108.854 -1.959 18.654 6 HD2 PRO 23 HD2 PRO 23 106.656 -0.845 16.940 7 HD3 PRO 23 HD3 PRO 23 107.807 -0.017 18.011 No H/Q in entry = 7 In of MODEL 8 1 H GLY 24 H GLY 24 110.954 -3.226 14.457 2 HA2 GLY 24 HA2 GLY 24 109.226 -4.101 12.351 3 HA3 GLY 24 HA3 GLY 24 110.960 -4.377 12.450 No H/Q in entry = 3 In of MODEL 8 1 H VAL 25 H VAL 25 109.817 -1.140 12.744 2 HA VAL 25 HA VAL 25 109.900 -0.575 9.915 3 HB VAL 25 HB VAL 25 109.955 1.340 12.261 No H/Q in entry = 3 In of MODEL 8 1 H VAL 26 H VAL 26 111.611 0.062 8.779 2 HA VAL 26 HA VAL 26 114.131 0.793 10.198 3 HB VAL 26 HB VAL 26 113.829 -0.533 7.494 No H/Q in entry = 3 In of MODEL 8 1 H VAL 27 H VAL 27 114.593 2.897 9.961 2 HA VAL 27 HA VAL 27 113.295 4.374 7.809 3 HB VAL 27 HB VAL 27 113.084 5.326 10.042 No H/Q in entry = 3 In of MODEL 8 1 H LEU 28 H LEU 28 114.249 5.642 6.349 2 HA LEU 28 HA LEU 28 117.109 5.033 5.878 3 HB2 LEU 28 HB2 LEU 28 114.937 5.703 3.889 4 HB3 LEU 28 HB3 LEU 28 116.602 5.385 3.473 5 HG LEU 28 HG LEU 28 114.819 3.395 4.886 6 HD11 LEU 28 HD11 LEU 28 114.073 3.950 2.577 7 HD12 LEU 28 HD12 LEU 28 115.667 3.526 1.975 8 HD13 LEU 28 HD13 LEU 28 114.645 2.301 2.711 9 HD21 LEU 28 HD21 LEU 28 117.608 3.289 3.705 10 HD22 LEU 28 HD22 LEU 28 117.112 2.873 5.346 11 HD23 LEU 28 HD23 LEU 28 116.652 1.839 4.001 No H/Q in entry = 11 In of MODEL 8 1 HA PRO 29 HA PRO 29 118.177 9.255 6.068 2 HB2 PRO 29 HB2 PRO 29 119.397 9.203 3.364 3 HB3 PRO 29 HB3 PRO 29 120.142 9.602 4.921 4 HG2 PRO 29 HG2 PRO 29 120.658 7.297 3.721 5 HG3 PRO 29 HG3 PRO 29 120.465 7.376 5.485 6 HD2 PRO 29 HD2 PRO 29 118.512 6.455 3.413 7 HD3 PRO 29 HD3 PRO 29 118.893 5.733 4.985 No H/Q in entry = 7 In of MODEL 8 1 H SER 30 H SER 30 116.696 8.185 3.084 2 HA SER 30 HA SER 30 115.927 10.761 2.141 3 HB2 SER 30 HB2 SER 30 114.419 8.251 1.464 4 HB3 SER 30 HB3 SER 30 114.791 9.633 0.438 5 HG SER 30 HG SER 30 116.734 8.848 0.073 No H/Q in entry = 5 In of MODEL 8 1 H GLY 31 H GLY 31 114.856 8.833 4.685 2 HA2 GLY 31 HA2 GLY 31 112.518 10.557 5.100 3 HA3 GLY 31 HA3 GLY 31 113.311 9.568 6.321 No H/Q in entry = 3 In of MODEL 8 1 H LEU 32 H LEU 32 113.101 7.768 3.544 2 HA LEU 32 HA LEU 32 110.373 6.913 3.790 3 HB2 LEU 32 HB2 LEU 32 111.587 6.856 1.617 4 HB3 LEU 32 HB3 LEU 32 112.673 5.659 2.267 5 HG LEU 32 HG LEU 32 110.715 4.889 0.749 6 HD11 LEU 32 HD11 LEU 32 111.349 3.516 3.340 7 HD12 LEU 32 HD12 LEU 32 110.334 2.815 2.100 8 HD13 LEU 32 HD13 LEU 32 112.005 3.223 1.742 9 HD21 LEU 32 HD21 LEU 32 109.035 6.204 2.011 10 HD22 LEU 32 HD22 LEU 32 108.579 4.532 1.759 11 HD23 LEU 32 HD23 LEU 32 109.155 5.056 3.326 No H/Q in entry = 11 In of MODEL 8 1 H GLN 33 H GLN 33 109.617 5.224 4.969 2 HA GLN 33 HA GLN 33 111.572 3.567 6.455 3 HB2 GLN 33 HB2 GLN 33 108.922 4.676 7.366 4 HB3 GLN 33 HB3 GLN 33 109.939 3.594 8.279 5 HG2 GLN 33 HG2 GLN 33 110.958 5.427 9.111 6 HG3 GLN 33 HG3 GLN 33 111.671 5.618 7.529 7 HE21 GLN 33 HE21 GLN 33 111.243 7.819 9.138 8 HE22 GLN 33 HE22 GLN 33 110.058 8.755 8.391 No H/Q in entry = 8 In of MODEL 8 1 H TYR 34 H TYR 34 111.163 1.402 6.623 2 HA TYR 34 HA TYR 34 108.601 0.413 5.609 3 HB2 TYR 34 HB2 TYR 34 109.678 -1.304 4.261 4 HB3 TYR 34 HB3 TYR 34 110.129 0.300 3.704 5 HD1 TYR 34 HD1 TYR 34 111.224 -2.545 5.776 6 HD2 TYR 34 HD2 TYR 34 112.419 1.005 3.710 7 HE1 TYR 34 HE1 TYR 34 113.603 -3.164 6.117 8 HE2 TYR 34 HE2 TYR 34 114.803 0.401 4.052 9 HH TYR 34 HH TYR 34 115.820 -1.920 6.230 No H/Q in entry = 9 In of MODEL 8 1 H LYS 35 H LYS 35 107.806 -1.363 6.436 2 HA LYS 35 HA LYS 35 109.331 -2.722 8.558 3 HB2 LYS 35 HB2 LYS 35 107.468 -1.152 9.299 4 HB3 LYS 35 HB3 LYS 35 106.355 -2.299 8.649 5 HG2 LYS 35 HG2 LYS 35 108.061 -3.828 10.159 6 HG3 LYS 35 HG3 LYS 35 107.962 -2.371 11.079 7 HD2 LYS 35 HD2 LYS 35 106.293 -4.010 11.850 8 HD3 LYS 35 HD3 LYS 35 105.546 -2.530 11.253 9 HE2 LYS 35 HE2 LYS 35 104.686 -3.606 9.403 10 HE3 LYS 35 HE3 LYS 35 105.972 -4.824 9.391 11 HZ1 LYS 35 HZ1 LYS 35 104.482 -4.925 11.802 12 HZ2 LYS 35 HZ2 LYS 35 103.448 -5.072 10.466 13 HZ3 LYS 35 HZ3 LYS 35 104.750 -6.148 10.654 No H/Q in entry = 13 In of MODEL 8 1 H VAL 36 H VAL 36 109.552 -4.753 8.196 2 HA VAL 36 HA VAL 36 108.200 -5.994 5.936 3 HB VAL 36 HB VAL 36 110.510 -6.494 6.169 No H/Q in entry = 3 In of MODEL 8 1 H ILE 37 H ILE 37 106.206 -6.802 6.131 2 HA ILE 37 HA ILE 37 105.173 -7.624 8.695 3 HB ILE 37 HB ILE 37 103.850 -8.350 6.085 4 HD11 ILE 37 HD11 ILE 37 104.048 -5.785 8.522 5 HD12 ILE 37 HD12 ILE 37 104.897 -4.724 7.412 6 HD13 ILE 37 HD13 ILE 37 103.171 -4.588 7.625 No H/Q in entry = 6 In of MODEL 8 1 H ASN 38 H ASN 38 106.216 -9.124 5.735 2 HA ASN 38 HA ASN 38 106.562 -11.682 7.116 3 HB2 ASN 38 HB2 ASN 38 105.060 -11.265 4.542 4 HB3 ASN 38 HB3 ASN 38 105.474 -12.822 5.205 5 HD21 ASN 38 HD21 ASN 38 103.469 -9.937 5.786 6 HD22 ASN 38 HD22 ASN 38 102.437 -10.667 6.911 No H/Q in entry = 6 In of MODEL 8 1 H SER 39 H SER 39 108.523 -12.523 6.596 2 HA SER 39 HA SER 39 110.052 -11.267 4.437 3 HB2 SER 39 HB2 SER 39 111.947 -12.025 5.485 4 HB3 SER 39 HB3 SER 39 110.870 -11.911 6.876 5 HG SER 39 HG SER 39 110.338 -14.184 6.327 No H/Q in entry = 5 In of MODEL 8 1 H GLY 40 H GLY 40 110.346 -12.170 2.522 2 HA2 GLY 40 HA2 GLY 40 109.332 -13.746 0.938 3 HA3 GLY 40 HA3 GLY 40 109.622 -15.009 2.127 No H/Q in entry = 3 In of MODEL 8 1 H ASN 41 H ASN 41 111.834 -12.393 1.432 2 HA ASN 41 HA ASN 41 113.952 -12.342 0.561 3 HB2 ASN 41 HB2 ASN 41 113.961 -15.234 1.415 4 HB3 ASN 41 HB3 ASN 41 115.376 -14.227 1.110 5 HD21 ASN 41 HD21 ASN 41 113.012 -12.242 2.465 6 HD22 ASN 41 HD22 ASN 41 113.502 -12.341 4.089 No H/Q in entry = 6 In of MODEL 8 1 H GLY 42 H GLY 42 111.724 -12.999 -1.222 2 HA2 GLY 42 HA2 GLY 42 111.281 -14.108 -3.240 3 HA3 GLY 42 HA3 GLY 42 112.849 -14.890 -3.138 No H/Q in entry = 3 In of MODEL 8 1 H VAL 43 H VAL 43 111.849 -13.787 -5.417 2 HA VAL 43 HA VAL 43 113.957 -12.068 -6.224 3 HB VAL 43 HB VAL 43 112.879 -12.046 -8.391 No H/Q in entry = 3 In of MODEL 8 1 H LYS 44 H LYS 44 113.109 -10.119 -7.658 2 HA LYS 44 HA LYS 44 110.976 -8.557 -6.929 3 HB2 LYS 44 HB2 LYS 44 111.718 -6.959 -5.336 4 HB3 LYS 44 HB3 LYS 44 112.058 -8.512 -4.650 5 HG2 LYS 44 HG2 LYS 44 114.257 -7.189 -6.208 6 HG3 LYS 44 HG3 LYS 44 113.860 -6.545 -4.630 7 HD2 LYS 44 HD2 LYS 44 114.189 -9.516 -4.830 8 HD3 LYS 44 HD3 LYS 44 115.646 -8.536 -4.940 9 HE2 LYS 44 HE2 LYS 44 115.337 -7.643 -2.760 10 HE3 LYS 44 HE3 LYS 44 113.650 -8.123 -2.703 11 HZ1 LYS 44 HZ1 LYS 44 115.853 -10.081 -2.948 12 HZ2 LYS 44 HZ2 LYS 44 115.279 -9.551 -1.442 13 HZ3 LYS 44 HZ3 LYS 44 114.241 -10.368 -2.504 No H/Q in entry = 13 In of MODEL 8 1 HA PRO 45 HA PRO 45 112.743 -6.405 -10.299 2 HB2 PRO 45 HB2 PRO 45 111.122 -4.226 -10.413 3 HB3 PRO 45 HB3 PRO 45 110.573 -5.858 -10.782 4 HG2 PRO 45 HG2 PRO 45 110.013 -4.165 -8.437 5 HG3 PRO 45 HG3 PRO 45 109.126 -5.541 -9.086 6 HD2 PRO 45 HD2 PRO 45 110.918 -5.532 -6.854 7 HD3 PRO 45 HD3 PRO 45 109.991 -6.901 -7.524 No H/Q in entry = 7 In of MODEL 8 1 H GLY 46 H GLY 46 113.859 -4.639 -11.137 2 HA2 GLY 46 HA2 GLY 46 115.711 -3.186 -10.878 3 HA3 GLY 46 HA3 GLY 46 115.298 -3.021 -9.170 No H/Q in entry = 3 In of MODEL 8 1 H LYS 47 H LYS 47 115.694 -0.778 -9.963 2 HA LYS 47 HA LYS 47 113.476 0.792 -9.837 3 HB2 LYS 47 HB2 LYS 47 114.851 2.616 -10.631 4 HB3 LYS 47 HB3 LYS 47 115.814 1.577 -9.586 5 HG2 LYS 47 HG2 LYS 47 115.814 1.503 -12.634 6 HG3 LYS 47 HG3 LYS 47 117.090 2.174 -11.618 7 HD2 LYS 47 HD2 LYS 47 117.201 -0.175 -10.534 8 HD3 LYS 47 HD3 LYS 47 116.273 -0.711 -11.925 9 HE2 LYS 47 HE2 LYS 47 118.520 -1.094 -12.404 10 HE3 LYS 47 HE3 LYS 47 118.038 0.294 -13.384 11 HZ1 LYS 47 HZ1 LYS 47 119.155 0.776 -10.715 12 HZ2 LYS 47 HZ2 LYS 47 120.224 0.340 -11.961 13 HZ3 LYS 47 HZ3 LYS 47 119.258 1.729 -12.114 No H/Q in entry = 13 In of MODEL 8 1 H SER 48 H SER 48 114.709 -0.889 -12.590 2 HA SER 48 HA SER 48 112.848 0.603 -14.369 3 HB2 SER 48 HB2 SER 48 115.374 -0.943 -14.856 4 HB3 SER 48 HB3 SER 48 114.272 -0.558 -16.178 5 HG SER 48 HG SER 48 114.884 1.453 -16.067 No H/Q in entry = 5 In of MODEL 8 1 H ASP 49 H ASP 49 113.052 -2.393 -12.754 2 HA ASP 49 HA ASP 49 111.666 -3.890 -14.882 3 HB2 ASP 49 HB2 ASP 49 112.427 -4.604 -12.082 4 HB3 ASP 49 HB3 ASP 49 111.514 -5.670 -13.116 No H/Q in entry = 4 In of MODEL 8 1 H THR 50 H THR 50 109.546 -4.999 -14.275 2 HA THR 50 HA THR 50 107.815 -3.020 -12.926 3 HB THR 50 HB THR 50 106.872 -5.113 -14.855 4 HG1 THR 50 HG1 THR 50 108.224 -2.795 -15.291 5 HG21 THR 50 HG21 THR 50 105.698 -2.576 -13.761 6 HG22 THR 50 HG22 THR 50 105.030 -3.460 -15.130 7 HG23 THR 50 HG23 THR 50 105.114 -4.238 -13.550 No H/Q in entry = 7 In of MODEL 8 1 H VAL 51 H VAL 51 106.223 -3.655 -11.519 2 HA VAL 51 HA VAL 51 106.658 -6.323 -10.302 3 HB VAL 51 HB VAL 51 107.629 -4.275 -9.142 No H/Q in entry = 3 In of MODEL 8 1 H THR 52 H THR 52 104.893 -7.103 -8.939 2 HA THR 52 HA THR 52 102.228 -6.003 -9.676 3 HB THR 52 HB THR 52 103.058 -8.905 -9.602 4 HG1 THR 52 HG1 THR 52 103.498 -7.467 -11.490 5 HG21 THR 52 HG21 THR 52 100.395 -7.541 -9.807 6 HG22 THR 52 HG22 THR 52 100.654 -9.149 -10.480 7 HG23 THR 52 HG23 THR 52 100.883 -8.883 -8.764 No H/Q in entry = 7 In of MODEL 8 1 H VAL 53 H VAL 53 101.219 -5.393 -7.801 2 HA VAL 53 HA VAL 53 101.582 -7.057 -5.376 3 HB VAL 53 HB VAL 53 102.241 -5.142 -4.064 No H/Q in entry = 3 In of MODEL 8 1 H GLU 54 H GLU 54 100.227 -6.359 -3.534 2 HA GLU 54 HA GLU 54 97.744 -4.903 -4.353 3 HB2 GLU 54 HB2 GLU 54 97.755 -6.899 -2.074 4 HB3 GLU 54 HB3 GLU 54 96.412 -6.205 -2.955 5 HG2 GLU 54 HG2 GLU 54 96.538 -7.685 -4.671 6 HG3 GLU 54 HG3 GLU 54 98.260 -7.888 -4.552 No H/Q in entry = 6 In of MODEL 8 1 H TYR 55 H TYR 55 96.927 -3.404 -2.596 2 HA TYR 55 HA TYR 55 98.562 -3.196 -0.228 3 HB2 TYR 55 HB2 TYR 55 99.379 -0.901 -0.844 4 HB3 TYR 55 HB3 TYR 55 100.049 -2.189 -1.844 5 HD1 TYR 55 HD1 TYR 55 97.445 0.453 -1.710 6 HD2 TYR 55 HD2 TYR 55 99.552 -2.329 -4.188 7 HE1 TYR 55 HE1 TYR 55 96.413 1.475 -3.707 8 HE2 TYR 55 HE2 TYR 55 98.529 -1.296 -6.189 9 HH TYR 55 HH TYR 55 95.899 0.828 -6.036 No H/Q in entry = 9 In of MODEL 8 1 H THR 56 H THR 56 98.000 -1.447 1.226 2 HA THR 56 HA THR 56 95.395 -0.207 0.705 3 HB THR 56 HB THR 56 96.217 -1.593 3.204 4 HG1 THR 56 HG1 THR 56 94.263 -1.717 1.323 5 HG21 THR 56 HG21 THR 56 94.202 0.655 2.986 6 HG22 THR 56 HG22 THR 56 94.348 -0.424 4.371 7 HG23 THR 56 HG23 THR 56 95.663 0.671 3.965 No H/Q in entry = 7 In of MODEL 8 1 H GLY 57 H GLY 57 95.309 1.937 0.871 2 HA2 GLY 57 HA2 GLY 57 96.780 3.893 0.642 3 HA3 GLY 57 HA3 GLY 57 97.746 3.256 1.963 No H/Q in entry = 3 In of MODEL 8 1 H ARG 58 H ARG 58 97.576 4.809 3.509 2 HA ARG 58 HA ARG 58 94.992 6.005 4.034 3 HB2 ARG 58 HB2 ARG 58 94.706 5.311 6.222 4 HB3 ARG 58 HB3 ARG 58 95.199 3.844 5.391 5 HG2 ARG 58 HG2 ARG 58 97.417 3.945 6.272 6 HG3 ARG 58 HG3 ARG 58 97.225 5.595 6.846 7 HD2 ARG 58 HD2 ARG 58 96.928 4.443 8.821 8 HD3 ARG 58 HD3 ARG 58 95.267 4.535 8.268 9 HE ARG 58 HE ARG 58 96.491 2.175 7.259 10 HH11 ARG 58 HH11 ARG 58 95.227 3.660 10.113 11 HH12 ARG 58 HH12 ARG 58 94.825 2.163 10.885 12 HH21 ARG 58 HH21 ARG 58 95.977 0.200 8.268 13 HH22 ARG 58 HH22 ARG 58 95.250 0.204 9.841 No H/Q in entry = 13 In of MODEL 8 1 H LEU 59 H LEU 59 95.070 7.623 5.759 2 HA LEU 59 HA LEU 59 97.382 9.355 5.384 3 HB2 LEU 59 HB2 LEU 59 94.590 9.604 6.254 4 HB3 LEU 59 HB3 LEU 59 95.666 10.681 7.105 5 HG LEU 59 HG LEU 59 96.531 11.329 4.733 6 HD11 LEU 59 HD11 LEU 59 93.867 10.087 4.070 7 HD12 LEU 59 HD12 LEU 59 94.792 11.098 2.998 8 HD13 LEU 59 HD13 LEU 59 95.417 9.537 3.506 9 HD21 LEU 59 HD21 LEU 59 95.020 12.695 6.312 10 HD22 LEU 59 HD22 LEU 59 94.997 13.102 4.606 11 HD23 LEU 59 HD23 LEU 59 93.688 12.164 5.297 No H/Q in entry = 11 In of MODEL 8 1 H ILE 60 H ILE 60 98.209 10.565 7.242 2 HA ILE 60 HA ILE 60 99.356 8.910 9.213 3 HB ILE 60 HB ILE 60 100.225 10.879 10.182 4 HD11 ILE 60 HD11 ILE 60 98.661 12.921 7.507 5 HD12 ILE 60 HD12 ILE 60 97.292 11.976 8.092 6 HD13 ILE 60 HD13 ILE 60 97.448 13.655 8.561 No H/Q in entry = 6 In of MODEL 8 1 H ASP 61 H ASP 61 96.431 10.625 9.019 2 HA ASP 61 HA ASP 61 95.833 10.446 11.872 3 HB2 ASP 61 HB2 ASP 61 95.379 12.486 10.403 4 HB3 ASP 61 HB3 ASP 61 94.048 11.551 9.713 No H/Q in entry = 4 In of MODEL 8 1 H GLY 62 H GLY 62 95.656 8.339 9.382 2 HA2 GLY 62 HA2 GLY 62 93.513 6.839 10.693 3 HA3 GLY 62 HA3 GLY 62 94.657 6.228 9.530 No H/Q in entry = 3 In of MODEL 8 1 H THR 63 H THR 63 93.489 9.087 8.261 2 HA THR 63 HA THR 63 90.934 8.212 7.319 3 HB THR 63 HB THR 63 92.630 10.259 5.902 4 HG1 THR 63 HG1 THR 63 91.258 10.406 8.353 5 HG21 THR 63 HG21 THR 63 90.380 9.393 5.040 6 HG22 THR 63 HG22 THR 63 89.681 10.229 6.417 7 HG23 THR 63 HG23 THR 63 90.561 11.142 5.197 No H/Q in entry = 7 In of MODEL 8 1 H VAL 64 H VAL 64 90.860 6.332 6.199 2 HA VAL 64 HA VAL 64 92.897 5.612 4.309 3 HB VAL 64 HB VAL 64 90.187 4.387 4.778 No H/Q in entry = 3 In of MODEL 8 1 H PHE 65 H PHE 65 93.143 6.281 2.376 2 HA PHE 65 HA PHE 65 90.795 7.457 0.995 3 HB2 PHE 65 HB2 PHE 65 92.209 9.017 -0.036 4 HB3 PHE 65 HB3 PHE 65 92.588 9.023 1.682 5 HD1 PHE 65 HD1 PHE 65 94.545 7.554 2.456 6 HD2 PHE 65 HD2 PHE 65 93.951 8.753 -1.610 7 HE1 PHE 65 HE1 PHE 65 96.952 7.164 2.002 8 HE2 PHE 65 HE2 PHE 65 96.356 8.383 -2.074 9 HZ PHE 65 HZ PHE 65 97.865 7.578 -0.267 No H/Q in entry = 9 In of MODEL 8 1 H ASP 66 H ASP 66 92.935 4.904 0.960 2 HA ASP 66 HA ASP 66 91.939 4.075 -1.612 3 HB2 ASP 66 HB2 ASP 66 93.974 5.516 -2.113 4 HB3 ASP 66 HB3 ASP 66 94.931 4.254 -1.341 No H/Q in entry = 4 In of MODEL 8 1 H SER 67 H SER 67 92.277 1.880 -2.075 2 HA SER 67 HA SER 67 93.786 0.260 -0.287 3 HB2 SER 67 HB2 SER 67 91.990 -1.007 0.678 4 HB3 SER 67 HB3 SER 67 91.797 0.698 1.076 5 HG SER 67 HG SER 67 89.897 0.470 0.201 No H/Q in entry = 5 In of MODEL 8 1 H THR 68 H THR 68 93.969 -1.934 -0.887 2 HA THR 68 HA THR 68 92.666 -2.819 -3.343 3 HB THR 68 HB THR 68 95.664 -2.440 -3.262 4 HG1 THR 68 HG1 THR 68 94.897 -0.488 -3.713 5 HG21 THR 68 HG21 THR 68 93.794 -3.577 -5.336 6 HG22 THR 68 HG22 THR 68 95.446 -3.085 -5.687 7 HG23 THR 68 HG23 THR 68 95.146 -4.378 -4.542 No H/Q in entry = 7 In of MODEL 8 1 H GLU 69 H GLU 69 95.128 -3.375 -0.865 2 HA GLU 69 HA GLU 69 95.310 -6.169 -1.305 3 HB2 GLU 69 HB2 GLU 69 96.430 -6.271 0.840 4 HB3 GLU 69 HB3 GLU 69 97.053 -4.982 -0.174 5 HG2 GLU 69 HG2 GLU 69 96.854 -3.888 1.840 6 HG3 GLU 69 HG3 GLU 69 95.358 -3.494 1.022 No H/Q in entry = 6 In of MODEL 8 1 H LYS 70 H LYS 70 93.074 -4.148 0.352 2 HA LYS 70 HA LYS 70 91.899 -6.043 2.031 3 HB2 LYS 70 HB2 LYS 70 90.655 -3.720 0.564 4 HB3 LYS 70 HB3 LYS 70 89.874 -4.605 1.874 5 HG2 LYS 70 HG2 LYS 70 92.563 -3.268 2.120 6 HG3 LYS 70 HG3 LYS 70 91.056 -2.468 2.565 7 HD2 LYS 70 HD2 LYS 70 90.632 -4.538 4.074 8 HD3 LYS 70 HD3 LYS 70 92.338 -4.896 3.842 9 HE2 LYS 70 HE2 LYS 70 93.021 -2.861 4.837 10 HE3 LYS 70 HE3 LYS 70 91.381 -2.212 4.835 11 HZ1 LYS 70 HZ1 LYS 70 91.731 -4.754 6.183 12 HZ2 LYS 70 HZ2 LYS 70 92.487 -3.433 6.929 13 HZ3 LYS 70 HZ3 LYS 70 90.814 -3.399 6.637 No H/Q in entry = 13 In of MODEL 8 1 H THR 71 H THR 71 91.385 -5.177 -1.315 2 HA THR 71 HA THR 71 89.408 -7.208 -1.796 3 HB THR 71 HB THR 71 90.018 -6.625 -4.261 4 HG1 THR 71 HG1 THR 71 91.016 -4.265 -3.202 5 HG21 THR 71 HG21 THR 71 88.882 -4.596 -2.320 6 HG22 THR 71 HG22 THR 71 88.755 -4.458 -4.074 7 HG23 THR 71 HG23 THR 71 87.988 -5.807 -3.237 No H/Q in entry = 7 In of MODEL 8 1 H GLY 72 H GLY 72 92.887 -6.894 -1.972 2 HA2 GLY 72 HA2 GLY 72 93.183 -9.750 -2.134 3 HA3 GLY 72 HA3 GLY 72 94.477 -8.575 -1.957 No H/Q in entry = 3 In of MODEL 8 1 H LYS 73 H LYS 73 93.184 -7.141 -4.373 2 HA LYS 73 HA LYS 73 94.048 -9.006 -6.478 3 HB2 LYS 73 HB2 LYS 73 92.174 -6.698 -6.359 4 HB3 LYS 73 HB3 LYS 73 92.987 -6.974 -7.895 5 HG2 LYS 73 HG2 LYS 73 90.996 -8.186 -8.074 6 HG3 LYS 73 HG3 LYS 73 92.196 -9.412 -7.699 7 HD2 LYS 73 HD2 LYS 73 91.270 -8.502 -5.168 8 HD3 LYS 73 HD3 LYS 73 89.822 -8.629 -6.164 9 HE2 LYS 73 HE2 LYS 73 91.817 -10.774 -5.460 10 HE3 LYS 73 HE3 LYS 73 90.079 -10.763 -5.168 11 HZ1 LYS 73 HZ1 LYS 73 90.318 -10.455 -7.870 12 HZ2 LYS 73 HZ2 LYS 73 91.527 -11.586 -7.491 13 HZ3 LYS 73 HZ3 LYS 73 89.912 -11.890 -7.062 No H/Q in entry = 13 In of MODEL 8 1 HA PRO 74 HA PRO 74 97.852 -6.679 -6.471 2 HB2 PRO 74 HB2 PRO 74 98.481 -8.284 -8.886 3 HB3 PRO 74 HB3 PRO 74 99.398 -8.072 -7.387 4 HG2 PRO 74 HG2 PRO 74 98.105 -10.333 -7.903 5 HG3 PRO 74 HG3 PRO 74 98.189 -9.666 -6.270 6 HD2 PRO 74 HD2 PRO 74 95.940 -9.567 -8.233 7 HD3 PRO 74 HD3 PRO 74 95.941 -9.872 -6.488 No H/Q in entry = 7 In of MODEL 8 1 H ALA 75 H ALA 75 98.860 -5.115 -7.638 2 HA ALA 75 HA ALA 75 97.544 -4.150 -10.111 3 HB1 ALA 75 HB1 ALA 75 97.246 -2.815 -7.854 4 HB2 ALA 75 HB2 ALA 75 97.569 -1.955 -9.356 5 HB3 ALA 75 HB3 ALA 75 98.877 -2.255 -8.212 No H/Q in entry = 5 In of MODEL 8 1 H THR 76 H THR 76 99.056 -3.153 -11.638 2 HA THR 76 HA THR 76 101.846 -4.014 -11.177 3 HB THR 76 HB THR 76 101.120 -5.151 -13.051 4 HG1 THR 76 HG1 THR 76 102.152 -4.115 -14.780 5 HG21 THR 76 HG21 THR 76 99.700 -2.615 -13.905 6 HG22 THR 76 HG22 THR 76 99.745 -4.111 -14.838 7 HG23 THR 76 HG23 THR 76 98.936 -4.073 -13.274 No H/Q in entry = 7 In of MODEL 8 1 H PHE 77 H PHE 77 103.446 -2.657 -11.099 2 HA PHE 77 HA PHE 77 103.156 0.054 -12.216 3 HB2 PHE 77 HB2 PHE 77 104.357 -0.527 -9.516 4 HB3 PHE 77 HB3 PHE 77 104.243 1.033 -10.286 5 HD1 PHE 77 HD1 PHE 77 102.878 -0.839 -7.798 6 HD2 PHE 77 HD2 PHE 77 101.645 1.482 -11.185 7 HE1 PHE 77 HE1 PHE 77 100.635 -0.501 -6.769 8 HE2 PHE 77 HE2 PHE 77 99.442 1.849 -10.159 9 HZ PHE 77 HZ PHE 77 98.918 0.849 -7.949 No H/Q in entry = 9 In of MODEL 8 1 H GLN 78 H GLN 78 105.064 0.940 -12.849 2 HA GLN 78 HA GLN 78 107.323 -0.898 -13.081 3 HB2 GLN 78 HB2 GLN 78 106.710 1.738 -14.395 4 HB3 GLN 78 HB3 GLN 78 108.299 1.008 -14.468 5 HG2 GLN 78 HG2 GLN 78 107.207 -1.072 -15.362 6 HG3 GLN 78 HG3 GLN 78 105.722 -0.159 -15.464 7 HE21 GLN 78 HE21 GLN 78 108.687 1.503 -16.058 8 HE22 GLN 78 HE22 GLN 78 108.521 1.662 -17.733 No H/Q in entry = 8 In of MODEL 8 1 H VAL 79 H VAL 79 108.943 -0.768 -11.667 2 HA VAL 79 HA VAL 79 108.767 0.802 -9.415 3 HB VAL 79 HB VAL 79 111.373 -0.158 -10.621 No H/Q in entry = 3 In of MODEL 8 1 H SER 80 H SER 80 110.099 1.612 -12.596 2 HA SER 80 HA SER 80 111.580 3.866 -11.667 3 HB2 SER 80 HB2 SER 80 112.417 3.168 -13.690 4 HB3 SER 80 HB3 SER 80 110.825 2.766 -14.319 5 HG SER 80 HG SER 80 111.254 5.430 -13.710 No H/Q in entry = 5 In of MODEL 8 1 H GLN 81 H GLN 81 108.282 3.350 -12.577 2 HA GLN 81 HA GLN 81 107.791 6.252 -12.715 3 HB2 GLN 81 HB2 GLN 81 105.866 4.003 -13.248 4 HB3 GLN 81 HB3 GLN 81 105.645 5.712 -13.621 5 HG2 GLN 81 HG2 GLN 81 107.646 3.799 -14.859 6 HG3 GLN 81 HG3 GLN 81 106.278 4.633 -15.648 7 HE21 GLN 81 HE21 GLN 81 109.554 4.765 -15.536 8 HE22 GLN 81 HE22 GLN 81 109.790 6.433 -15.744 No H/Q in entry = 8 In of MODEL 8 1 H VAL 82 H VAL 82 107.502 3.619 -10.519 2 HA VAL 82 HA VAL 82 105.186 4.450 -9.162 3 HB VAL 82 HB VAL 82 106.530 2.236 -9.179 No H/Q in entry = 3 In of MODEL 8 1 H ILE 83 H ILE 83 105.085 5.148 -6.883 2 HA ILE 83 HA ILE 83 106.098 7.721 -6.684 3 HB ILE 83 HB ILE 83 105.664 6.635 -4.000 4 HD11 ILE 83 HD11 ILE 83 103.445 5.934 -3.116 5 HD12 ILE 83 HD12 ILE 83 102.425 6.815 -4.250 6 HD13 ILE 83 HD13 ILE 83 102.342 5.065 -4.168 No H/Q in entry = 6 In of MODEL 8 1 HA PRO 84 HA PRO 84 110.381 7.330 -5.692 2 HB2 PRO 84 HB2 PRO 84 109.898 9.102 -3.334 3 HB3 PRO 84 HB3 PRO 84 111.122 9.252 -4.608 4 HG2 PRO 84 HG2 PRO 84 108.996 10.827 -4.588 5 HG3 PRO 84 HG3 PRO 84 109.614 10.169 -6.094 6 HD2 PRO 84 HD2 PRO 84 107.225 9.355 -4.565 7 HD3 PRO 84 HD3 PRO 84 107.457 9.383 -6.317 No H/Q in entry = 7 In of MODEL 8 1 H GLY 85 H GLY 85 108.239 7.353 -2.855 2 HA2 GLY 85 HA2 GLY 85 108.210 5.990 -1.008 3 HA3 GLY 85 HA3 GLY 85 109.958 5.995 -1.106 No H/Q in entry = 3 In of MODEL 8 1 H TRP 86 H TRP 86 107.441 4.817 -3.232 2 HA TRP 86 HA TRP 86 107.706 2.042 -2.690 3 HB2 TRP 86 HB2 TRP 86 106.449 3.741 -4.790 4 HB3 TRP 86 HB3 TRP 86 106.595 2.025 -5.106 5 HD1 TRP 86 HD1 TRP 86 105.257 4.203 -2.171 6 HE1 TRP 86 HE1 TRP 86 103.131 3.111 -1.283 7 HE3 TRP 86 HE3 TRP 86 105.085 0.199 -5.216 8 HZ2 TRP 86 HZ2 TRP 86 101.547 0.810 -1.842 9 HZ3 TRP 86 HZ3 TRP 86 103.265 -1.398 -5.045 10 HH2 TRP 86 HH2 TRP 86 101.463 -1.125 -3.361 No H/Q in entry = 10 In of MODEL 8 1 H THR 87 H THR 87 109.269 4.180 -5.045 2 HA THR 87 HA THR 87 110.320 2.382 -6.821 3 HB THR 87 HB THR 87 111.788 4.771 -5.704 4 HG1 THR 87 HG1 THR 87 109.500 4.979 -6.477 5 HG21 THR 87 HG21 THR 87 113.003 3.176 -7.284 6 HG22 THR 87 HG22 THR 87 111.834 3.657 -8.494 7 HG23 THR 87 HG23 THR 87 112.896 4.846 -7.815 No H/Q in entry = 7 In of MODEL 8 1 H GLU 88 H GLU 88 111.934 3.528 -3.860 2 HA GLU 88 HA GLU 88 114.097 1.689 -4.116 3 HB2 GLU 88 HB2 GLU 88 114.242 3.865 -2.926 4 HB3 GLU 88 HB3 GLU 88 113.217 3.200 -1.655 5 HG2 GLU 88 HG2 GLU 88 114.863 1.417 -1.239 6 HG3 GLU 88 HG3 GLU 88 115.885 2.052 -2.530 No H/Q in entry = 6 In of MODEL 8 1 H ALA 89 H ALA 89 111.139 1.683 -2.173 2 HA ALA 89 HA ALA 89 111.737 -0.470 -0.512 3 HB1 ALA 89 HB1 ALA 89 109.105 0.532 -1.574 4 HB2 ALA 89 HB2 ALA 89 109.855 0.884 -0.018 5 HB3 ALA 89 HB3 ALA 89 109.242 -0.730 -0.355 No H/Q in entry = 5 In of MODEL 8 1 H LEU 90 H LEU 90 110.006 -0.612 -3.668 2 HA LEU 90 HA LEU 90 109.394 -3.350 -3.610 3 HB2 LEU 90 HB2 LEU 90 110.139 -1.664 -6.014 4 HB3 LEU 90 HB3 LEU 90 109.285 -3.191 -6.060 5 HG LEU 90 HG LEU 90 108.238 -0.851 -4.474 6 HD11 LEU 90 HD11 LEU 90 107.785 -1.522 -7.372 7 HD12 LEU 90 HD12 LEU 90 106.838 -0.356 -6.484 8 HD13 LEU 90 HD13 LEU 90 108.548 -0.089 -6.744 9 HD21 LEU 90 HD21 LEU 90 107.058 -3.361 -5.612 10 HD22 LEU 90 HD22 LEU 90 107.138 -2.894 -3.933 11 HD23 LEU 90 HD23 LEU 90 106.070 -2.048 -5.046 No H/Q in entry = 11 In of MODEL 8 1 H GLN 91 H GLN 91 112.249 -1.643 -4.771 2 HA GLN 91 HA GLN 91 113.615 -3.835 -5.851 3 HB2 GLN 91 HB2 GLN 91 114.702 -1.294 -4.640 4 HB3 GLN 91 HB3 GLN 91 115.592 -2.387 -5.695 5 HG2 GLN 91 HG2 GLN 91 114.004 -2.003 -7.499 6 HG3 GLN 91 HG3 GLN 91 113.015 -1.002 -6.443 7 HE21 GLN 91 HE21 GLN 91 113.293 1.119 -7.196 8 HE22 GLN 91 HE22 GLN 91 114.795 1.834 -7.526 No H/Q in entry = 8 In of MODEL 8 1 H LEU 92 H LEU 92 113.117 -2.755 -2.606 2 HA LEU 92 HA LEU 92 115.225 -4.538 -1.556 3 HB2 LEU 92 HB2 LEU 92 113.505 -2.477 -0.164 4 HB3 LEU 92 HB3 LEU 92 114.776 -3.431 0.599 5 HG LEU 92 HG LEU 92 115.218 -1.514 -1.699 6 HD11 LEU 92 HD11 LEU 92 114.535 -0.361 0.320 7 HD12 LEU 92 HD12 LEU 92 115.779 -1.212 1.233 8 HD13 LEU 92 HD13 LEU 92 116.234 -0.070 -0.032 9 HD21 LEU 92 HD21 LEU 92 117.019 -3.257 -0.057 10 HD22 LEU 92 HD22 LEU 92 116.970 -3.071 -1.809 11 HD23 LEU 92 HD23 LEU 92 117.621 -1.784 -0.807 No H/Q in entry = 11 In of MODEL 8 1 H MET 93 H MET 93 111.884 -4.480 -2.141 2 HA MET 93 HA MET 93 111.218 -6.235 0.085 3 HB2 MET 93 HB2 MET 93 109.637 -4.519 -0.612 4 HB3 MET 93 HB3 MET 93 109.539 -5.255 -2.214 5 HG2 MET 93 HG2 MET 93 108.472 -7.190 -1.391 6 HG3 MET 93 HG3 MET 93 108.972 -6.872 0.272 7 HE1 MET 93 HE1 MET 93 107.316 -5.676 -2.738 8 HE2 MET 93 HE2 MET 93 105.641 -5.864 -2.239 9 HE3 MET 93 HE3 MET 93 106.392 -4.267 -2.253 No H/Q in entry = 9 In of MODEL 8 1 HA PRO 94 HA PRO 94 112.222 -9.746 -2.739 2 HB2 PRO 94 HB2 PRO 94 111.809 -11.396 -0.345 3 HB3 PRO 94 HB3 PRO 94 113.244 -11.260 -1.372 4 HG2 PRO 94 HG2 PRO 94 113.180 -10.259 1.110 5 HG3 PRO 94 HG3 PRO 94 114.057 -9.451 -0.204 6 HD2 PRO 94 HD2 PRO 94 111.359 -8.811 0.919 7 HD3 PRO 94 HD3 PRO 94 112.687 -7.741 0.502 No H/Q in entry = 7 In of MODEL 8 1 H ALA 95 H ALA 95 110.991 -11.288 -3.756 2 HA ALA 95 HA ALA 95 108.195 -10.984 -3.571 3 HB1 ALA 95 HB1 ALA 95 109.839 -13.033 -5.007 4 HB2 ALA 95 HB2 ALA 95 108.082 -12.903 -5.143 5 HB3 ALA 95 HB3 ALA 95 109.109 -11.575 -5.681 No H/Q in entry = 5 In of MODEL 8 1 H GLY 96 H GLY 96 106.651 -12.011 -2.599 2 HA2 GLY 96 HA2 GLY 96 107.251 -14.477 -1.107 3 HA3 GLY 96 HA3 GLY 96 105.651 -13.833 -1.489 No H/Q in entry = 3 In of MODEL 8 1 H SER 97 H SER 97 108.017 -11.550 -0.608 2 HA SER 97 HA SER 97 107.346 -11.561 2.229 3 HB2 SER 97 HB2 SER 97 109.215 -10.211 2.521 4 HB3 SER 97 HB3 SER 97 109.681 -11.095 1.067 5 HG SER 97 HG SER 97 108.556 -8.501 1.278 No H/Q in entry = 5 In of MODEL 8 1 H THR 98 H THR 98 106.001 -10.204 3.182 2 HA THR 98 HA THR 98 104.689 -8.121 1.561 3 HB THR 98 HB THR 98 103.702 -9.490 4.065 4 HG1 THR 98 HG1 THR 98 103.596 -10.917 2.378 5 HG21 THR 98 HG21 THR 98 102.471 -7.464 2.179 6 HG22 THR 98 HG22 THR 98 101.571 -8.388 3.382 7 HG23 THR 98 HG23 THR 98 102.826 -7.267 3.891 No H/Q in entry = 7 In of MODEL 8 1 H TRP 99 H TRP 99 105.440 -6.145 1.952 2 HA TRP 99 HA TRP 99 106.389 -5.504 4.694 3 HB2 TRP 99 HB2 TRP 99 107.192 -4.351 2.025 4 HB3 TRP 99 HB3 TRP 99 107.647 -3.639 3.561 5 HD1 TRP 99 HD1 TRP 99 107.759 -7.362 3.776 6 HE1 TRP 99 HE1 TRP 99 110.164 -8.191 3.615 7 HE3 TRP 99 HE3 TRP 99 109.990 -3.040 2.274 8 HZ2 TRP 99 HZ2 TRP 99 112.756 -7.126 2.944 9 HZ3 TRP 99 HZ3 TRP 99 112.443 -2.969 1.896 10 HH2 TRP 99 HH2 TRP 99 113.826 -5.000 2.233 No H/Q in entry = 10 In of MODEL 8 1 H GLU 100 H GLU 100 106.261 -3.211 5.209 2 HA GLU 100 HA GLU 100 103.936 -1.799 4.088 3 HB2 GLU 100 HB2 GLU 100 104.513 -2.491 6.943 4 HB3 GLU 100 HB3 GLU 100 103.902 -0.871 6.636 5 HG2 GLU 100 HG2 GLU 100 101.993 -1.811 5.437 6 HG3 GLU 100 HG3 GLU 100 102.582 -3.440 5.729 No H/Q in entry = 6 In of MODEL 8 1 H ILE 101 H ILE 101 104.500 0.265 3.476 2 HA ILE 101 HA ILE 101 106.964 1.340 4.614 3 HB ILE 101 HB ILE 101 107.891 1.928 2.598 4 HD11 ILE 101 HD11 ILE 101 107.917 2.653 0.337 5 HD12 ILE 101 HD12 ILE 101 107.229 1.119 -0.187 6 HD13 ILE 101 HD13 ILE 101 106.464 2.626 -0.651 No H/Q in entry = 6 In of MODEL 8 1 H TYR 102 H TYR 102 107.006 3.337 5.199 2 HA TYR 102 HA TYR 102 104.474 4.853 5.026 3 HB2 TYR 102 HB2 TYR 102 106.775 5.162 6.966 4 HB3 TYR 102 HB3 TYR 102 105.212 5.925 7.082 5 HD1 TYR 102 HD1 TYR 102 106.323 2.336 6.510 6 HD2 TYR 102 HD2 TYR 102 103.973 5.036 8.866 7 HE1 TYR 102 HE1 TYR 102 105.474 0.450 7.782 8 HE2 TYR 102 HE2 TYR 102 103.122 3.123 10.179 9 HH TYR 102 HH TYR 102 102.886 0.807 10.109 No H/Q in entry = 9 In of MODEL 8 1 H VAL 103 H VAL 103 104.709 6.059 3.255 2 HA VAL 103 HA VAL 103 107.245 7.082 2.474 3 HB VAL 103 HB VAL 103 104.661 7.577 1.088 No H/Q in entry = 3 In of MODEL 8 1 HA PRO 104 HA PRO 104 106.648 11.121 4.432 2 HB2 PRO 104 HB2 PRO 104 108.865 11.754 2.520 3 HB3 PRO 104 HB3 PRO 104 108.756 12.087 4.258 4 HG2 PRO 104 HG2 PRO 104 110.307 10.123 3.257 5 HG3 PRO 104 HG3 PRO 104 109.547 10.002 4.832 6 HD2 PRO 104 HD2 PRO 104 108.886 8.583 2.345 7 HD3 PRO 104 HD3 PRO 104 108.532 8.141 4.032 No H/Q in entry = 7 In of MODEL 8 1 H SER 105 H SER 105 105.578 12.980 3.650 2 HA SER 105 HA SER 105 104.061 12.789 1.363 3 HB2 SER 105 HB2 SER 105 103.580 15.152 1.604 4 HB3 SER 105 HB3 SER 105 103.635 14.399 3.194 5 HG SER 105 HG SER 105 104.833 16.397 3.011 No H/Q in entry = 5 In of MODEL 8 1 H GLY 106 H GLY 106 107.294 14.154 1.726 2 HA2 GLY 106 HA2 GLY 106 108.826 14.872 0.161 3 HA3 GLY 106 HA3 GLY 106 107.462 15.355 -0.841 No H/Q in entry = 3 In of MODEL 8 1 H LEU 107 H LEU 107 107.984 12.102 0.345 2 HA LEU 107 HA LEU 107 108.962 11.208 -2.293 3 HB2 LEU 107 HB2 LEU 107 108.728 9.674 0.310 4 HB3 LEU 107 HB3 LEU 107 109.489 9.098 -1.148 5 HG LEU 107 HG LEU 107 110.411 11.397 0.587 6 HD11 LEU 107 HD11 LEU 107 110.948 9.078 1.330 7 HD12 LEU 107 HD12 LEU 107 111.765 8.822 -0.203 8 HD13 LEU 107 HD13 LEU 107 112.381 10.018 0.928 9 HD21 LEU 107 HD21 LEU 107 111.245 10.561 -2.173 10 HD22 LEU 107 HD22 LEU 107 110.937 12.182 -1.570 11 HD23 LEU 107 HD23 LEU 107 112.401 11.327 -1.094 No H/Q in entry = 11 In of MODEL 8 1 H ALA 108 H ALA 108 105.996 11.675 -0.915 2 HA ALA 108 HA ALA 108 104.871 9.187 -2.003 3 HB1 ALA 108 HB1 ALA 108 103.502 11.142 -0.172 4 HB2 ALA 108 HB2 ALA 108 102.977 9.525 -0.603 5 HB3 ALA 108 HB3 ALA 108 104.393 9.760 0.389 No H/Q in entry = 5 In of MODEL 8 1 H TYR 109 H TYR 109 102.683 11.778 -1.432 2 HA TYR 109 HA TYR 109 102.245 11.974 -4.319 3 HB2 TYR 109 HB2 TYR 109 100.439 12.101 -1.946 4 HB3 TYR 109 HB3 TYR 109 99.951 12.878 -3.447 5 HD1 TYR 109 HD1 TYR 109 100.384 9.731 -1.762 6 HD2 TYR 109 HD2 TYR 109 100.020 11.568 -5.604 7 HE1 TYR 109 HE1 TYR 109 99.989 7.547 -2.758 8 HE2 TYR 109 HE2 TYR 109 99.665 9.378 -6.627 9 HH TYR 109 HH TYR 109 99.942 6.400 -4.710 No H/Q in entry = 9 In of MODEL 8 1 H GLY 110 H GLY 110 103.879 13.760 -2.161 2 HA2 GLY 110 HA2 GLY 110 103.197 16.251 -3.628 3 HA3 GLY 110 HA3 GLY 110 104.792 15.837 -3.050 No H/Q in entry = 3 In of MODEL 8 1 HA PRO 111 HA PRO 111 104.070 18.193 0.600 2 HB2 PRO 111 HB2 PRO 111 104.729 20.682 -0.152 3 HB3 PRO 111 HB3 PRO 111 105.926 19.376 -0.166 4 HG2 PRO 111 HG2 PRO 111 104.329 20.460 -2.446 5 HG3 PRO 111 HG3 PRO 111 106.071 20.140 -2.360 6 HD2 PRO 111 HD2 PRO 111 104.321 18.389 -3.487 7 HD3 PRO 111 HD3 PRO 111 105.784 17.849 -2.651 No H/Q in entry = 7 In of MODEL 8 1 H ARG 112 H ARG 112 102.237 18.897 -2.226 2 HA ARG 112 HA ARG 112 100.338 20.629 -0.761 3 HB2 ARG 112 HB2 ARG 112 100.783 20.094 -3.699 4 HB3 ARG 112 HB3 ARG 112 99.377 20.963 -3.090 5 HG2 ARG 112 HG2 ARG 112 100.854 22.632 -2.036 6 HG3 ARG 112 HG3 ARG 112 102.270 21.760 -2.632 7 HD2 ARG 112 HD2 ARG 112 101.551 22.114 -4.943 8 HD3 ARG 112 HD3 ARG 112 100.084 22.912 -4.386 9 HE ARG 112 HE ARG 112 102.305 24.270 -3.302 10 HH11 ARG 112 HH11 ARG 112 100.769 23.581 -6.318 11 HH12 ARG 112 HH12 ARG 112 101.276 25.053 -7.077 12 HH21 ARG 112 HH21 ARG 112 102.980 26.211 -4.287 13 HH22 ARG 112 HH22 ARG 112 102.527 26.543 -5.926 No H/Q in entry = 13 In of MODEL 8 1 H SER 113 H SER 113 97.990 20.234 -1.396 2 HA SER 113 HA SER 113 97.341 17.511 -0.792 3 HB2 SER 113 HB2 SER 113 95.320 19.501 -1.778 4 HB3 SER 113 HB3 SER 113 95.155 18.255 -0.545 5 HG SER 113 HG SER 113 96.301 20.799 -0.408 No H/Q in entry = 5 In of MODEL 8 1 H VAL 114 H VAL 114 97.792 16.055 -2.374 2 HA VAL 114 HA VAL 114 96.805 16.668 -5.123 3 HB VAL 114 HB VAL 114 98.854 14.583 -4.409 No H/Q in entry = 3 In of MODEL 8 1 H GLY 115 H GLY 115 94.728 15.961 -3.790 2 HA2 GLY 115 HA2 GLY 115 94.414 13.108 -3.475 3 HA3 GLY 115 HA3 GLY 115 93.656 13.732 -4.935 No H/Q in entry = 3 In of MODEL 8 1 H GLY 116 H GLY 116 91.884 12.650 -3.478 2 HA2 GLY 116 HA2 GLY 116 89.921 12.908 -2.295 3 HA3 GLY 116 HA3 GLY 116 90.035 14.599 -2.736 No H/Q in entry = 3 In of MODEL 8 1 HA PRO 117 HA PRO 117 90.304 14.325 1.911 2 HB2 PRO 117 HB2 PRO 117 91.199 12.062 3.128 3 HB3 PRO 117 HB3 PRO 117 89.524 12.261 2.586 4 HG2 PRO 117 HG2 PRO 117 91.801 10.994 1.137 5 HG3 PRO 117 HG3 PRO 117 90.189 10.338 1.441 6 HD2 PRO 117 HD2 PRO 117 90.729 11.395 -0.900 7 HD3 PRO 117 HD3 PRO 117 89.193 11.805 -0.099 No H/Q in entry = 7 In of MODEL 8 1 H ILE 118 H ILE 118 92.973 13.145 0.072 2 HA ILE 118 HA ILE 118 95.031 13.520 1.998 3 HB ILE 118 HB ILE 118 95.316 13.841 -1.005 4 HD11 ILE 118 HD11 ILE 118 93.631 12.357 -1.389 5 HD12 ILE 118 HD12 ILE 118 94.525 10.975 -1.997 6 HD13 ILE 118 HD13 ILE 118 93.515 10.817 -0.568 No H/Q in entry = 6 In of MODEL 8 1 H GLY 119 H GLY 119 95.481 15.391 2.910 2 HA2 GLY 119 HA2 GLY 119 95.204 17.634 3.345 3 HA3 GLY 119 HA3 GLY 119 94.660 17.909 1.700 No H/Q in entry = 3 In of MODEL 8 1 HA PRO 120 HA PRO 120 98.670 19.604 0.957 2 HB2 PRO 120 HB2 PRO 120 99.104 21.579 2.817 3 HB3 PRO 120 HB3 PRO 120 98.055 21.776 1.415 4 HG2 PRO 120 HG2 PRO 120 97.329 21.191 4.228 5 HG3 PRO 120 HG3 PRO 120 96.503 22.191 3.051 6 HD2 PRO 120 HD2 PRO 120 95.690 19.681 3.751 7 HD3 PRO 120 HD3 PRO 120 95.378 20.376 2.149 No H/Q in entry = 7 In of MODEL 8 1 H ASN 121 H ASN 121 100.853 19.259 1.432 2 HA ASN 121 HA ASN 121 102.579 18.092 2.427 3 HB2 ASN 121 HB2 ASN 121 102.411 20.405 3.579 4 HB3 ASN 121 HB3 ASN 121 101.748 19.521 4.952 5 HD21 ASN 121 HD21 ASN 121 103.316 17.156 4.833 6 HD22 ASN 121 HD22 ASN 121 104.939 17.558 5.124 No H/Q in entry = 6 In of MODEL 8 1 H GLU 122 H GLU 122 100.498 16.463 2.261 2 HA GLU 122 HA GLU 122 100.037 15.187 4.867 3 HB2 GLU 122 HB2 GLU 122 98.282 15.863 3.100 4 HB3 GLU 122 HB3 GLU 122 98.817 14.421 2.288 5 HG2 GLU 122 HG2 GLU 122 96.925 13.835 3.545 6 HG3 GLU 122 HG3 GLU 122 98.315 13.159 4.412 No H/Q in entry = 6 In of MODEL 8 1 H THR 123 H THR 123 101.008 13.413 5.443 2 HA THR 123 HA THR 123 102.788 12.032 3.554 3 HB THR 123 HB THR 123 102.420 11.825 6.538 4 HG1 THR 123 HG1 THR 123 103.476 13.685 5.709 5 HG21 THR 123 HG21 THR 123 103.106 9.650 5.500 6 HG22 THR 123 HG22 THR 123 104.476 10.476 4.793 7 HG23 THR 123 HG23 THR 123 104.339 10.335 6.543 No H/Q in entry = 7 In of MODEL 8 1 H LEU 124 H LEU 124 102.328 10.110 2.678 2 HA LEU 124 HA LEU 124 99.881 8.687 3.600 3 HB2 LEU 124 HB2 LEU 124 101.227 8.633 0.887 4 HB3 LEU 124 HB3 LEU 124 99.774 7.749 1.320 5 HG LEU 124 HG LEU 124 98.912 9.608 0.182 6 HD11 LEU 124 HD11 LEU 124 97.970 9.405 2.514 7 HD12 LEU 124 HD12 LEU 124 99.024 10.744 2.937 8 HD13 LEU 124 HD13 LEU 124 97.782 10.974 1.733 9 HD21 LEU 124 HD21 LEU 124 101.127 10.761 0.040 10 HD22 LEU 124 HD22 LEU 124 99.749 11.833 0.263 11 HD23 LEU 124 HD23 LEU 124 100.786 11.448 1.616 No H/Q in entry = 11 In of MODEL 8 1 H ILE 125 H ILE 125 99.942 6.462 3.805 2 HA ILE 125 HA ILE 125 102.576 5.118 3.661 3 HB ILE 125 HB ILE 125 102.216 5.315 5.997 4 HD11 ILE 125 HD11 ILE 125 101.891 3.788 7.741 5 HD12 ILE 125 HD12 ILE 125 100.690 2.541 7.475 6 HD13 ILE 125 HD13 ILE 125 102.399 2.157 7.350 No H/Q in entry = 6 In of MODEL 8 1 H PHE 126 H PHE 126 102.527 3.051 2.821 2 HA PHE 126 HA PHE 126 99.875 1.960 2.169 3 HB2 PHE 126 HB2 PHE 126 102.148 1.735 0.226 4 HB3 PHE 126 HB3 PHE 126 100.409 1.532 -0.054 5 HD1 PHE 126 HD1 PHE 126 99.074 3.365 -0.740 6 HD2 PHE 126 HD2 PHE 126 102.986 4.042 0.891 7 HE1 PHE 126 HE1 PHE 126 98.902 5.775 -1.318 8 HE2 PHE 126 HE2 PHE 126 102.803 6.443 0.313 9 HZ PHE 126 HZ PHE 126 100.773 7.292 -0.779 No H/Q in entry = 9 In of MODEL 8 1 H LYS 127 H LYS 127 99.730 -0.293 2.022 2 HA LYS 127 HA LYS 127 101.943 -1.741 3.253 3 HB2 LYS 127 HB2 LYS 127 99.477 -3.276 2.844 4 HB3 LYS 127 HB3 LYS 127 100.384 -3.022 4.315 5 HG2 LYS 127 HG2 LYS 127 98.447 -1.038 3.143 6 HG3 LYS 127 HG3 LYS 127 98.072 -2.164 4.438 7 HD2 LYS 127 HD2 LYS 127 99.798 -1.154 5.865 8 HD3 LYS 127 HD3 LYS 127 100.215 -0.019 4.595 9 HE2 LYS 127 HE2 LYS 127 97.932 0.904 4.659 10 HE3 LYS 127 HE3 LYS 127 97.507 -0.244 5.929 11 HZ1 LYS 127 HZ1 LYS 127 99.790 0.936 6.831 12 HZ2 LYS 127 HZ2 LYS 127 98.943 2.222 6.111 13 HZ3 LYS 127 HZ3 LYS 127 98.213 1.302 7.339 No H/Q in entry = 13 In of MODEL 8 1 H ILE 128 H ILE 128 103.191 -2.948 1.933 2 HA ILE 128 HA ILE 128 102.011 -3.521 -0.742 3 HB ILE 128 HB ILE 128 104.972 -3.226 -0.296 4 HD11 ILE 128 HD11 ILE 128 104.984 -0.656 -2.095 5 HD12 ILE 128 HD12 ILE 128 104.801 0.524 -0.809 6 HD13 ILE 128 HD13 ILE 128 105.932 -0.804 -0.610 No H/Q in entry = 6 In of MODEL 8 1 H HIS 129 H HIS 129 101.625 -5.450 -1.189 2 HA HIS 129 HA HIS 129 103.175 -7.675 -0.014 3 HB2 HIS 129 HB2 HIS 129 100.814 -7.802 0.556 4 HB3 HIS 129 HB3 HIS 129 100.369 -7.548 -1.127 5 HD2 HIS 129 HD2 HIS 129 103.197 -10.164 -0.133 6 HE1 HIS 129 HE1 HIS 129 99.919 -12.189 -1.887 7 HE2 HIS 129 HE2 HIS 129 102.325 -12.428 -1.155 No H/Q in entry = 7 In of MODEL 8 1 H LEU 130 H LEU 130 104.474 -8.800 -1.395 2 HA LEU 130 HA LEU 130 104.206 -8.153 -4.240 3 HB2 LEU 130 HB2 LEU 130 106.428 -8.417 -2.571 4 HB3 LEU 130 HB3 LEU 130 106.451 -9.846 -3.568 5 HG LEU 130 HG LEU 130 106.225 -7.054 -4.636 6 HD11 LEU 130 HD11 LEU 130 108.568 -8.951 -4.557 7 HD12 LEU 130 HD12 LEU 130 108.545 -7.461 -5.483 8 HD13 LEU 130 HD13 LEU 130 108.456 -7.412 -3.724 9 HD21 LEU 130 HD21 LEU 130 105.165 -8.794 -6.080 10 HD22 LEU 130 HD22 LEU 130 106.582 -8.106 -6.809 11 HD23 LEU 130 HD23 LEU 130 106.686 -9.677 -6.056 No H/Q in entry = 11 In of MODEL 8 1 H ILE 131 H ILE 131 102.945 -9.407 -5.437 2 HA ILE 131 HA ILE 131 102.671 -12.255 -4.808 3 HB ILE 131 HB ILE 131 101.207 -10.423 -6.726 4 HD11 ILE 131 HD11 ILE 131 100.145 -8.910 -5.297 5 HD12 ILE 131 HD12 ILE 131 99.598 -9.361 -3.686 6 HD13 ILE 131 HD13 ILE 131 101.317 -9.272 -4.025 No H/Q in entry = 6 In of MODEL 8 1 H SER 132 H SER 132 103.653 -10.160 -7.548 2 HA SER 132 HA SER 132 105.403 -12.290 -8.506 3 HB2 SER 132 HB2 SER 132 104.399 -12.668 -10.571 4 HB3 SER 132 HB3 SER 132 102.993 -12.503 -9.521 5 HG SER 132 HG SER 132 103.512 -11.122 -11.651 No H/Q in entry = 5 In of MODEL 8 1 H VAL 133 H VAL 133 106.882 -11.568 -10.181 2 HA VAL 133 HA VAL 133 107.204 -8.618 -10.321 3 HB VAL 133 HB VAL 133 109.397 -10.670 -9.853 No H/Q in entry = 3 In of MODEL 8 1 H LYS 134 H LYS 134 107.859 -7.804 -12.248 2 HA LYS 134 HA LYS 134 107.998 -9.610 -14.537 3 HB2 LYS 134 HB2 LYS 134 106.646 -7.343 -14.290 4 HB3 LYS 134 HB3 LYS 134 108.208 -6.663 -14.740 5 HG2 LYS 134 HG2 LYS 134 107.274 -6.961 -16.855 6 HG3 LYS 134 HG3 LYS 134 108.121 -8.496 -16.665 7 HD2 LYS 134 HD2 LYS 134 105.966 -9.408 -15.665 8 HD3 LYS 134 HD3 LYS 134 105.181 -7.940 -16.236 9 HE2 LYS 134 HE2 LYS 134 106.470 -8.693 -18.523 10 HE3 LYS 134 HE3 LYS 134 106.168 -10.273 -17.797 11 HZ1 LYS 134 HZ1 LYS 134 104.025 -8.258 -17.934 12 HZ2 LYS 134 HZ2 LYS 134 104.378 -9.228 -19.282 13 HZ3 LYS 134 HZ3 LYS 134 103.898 -9.945 -17.818 No H/Q in entry = 13 In of MODEL 8 1 H LYS 135 H LYS 135 109.461 -7.576 -16.032 2 HA LYS 135 HA LYS 135 111.954 -6.959 -14.972 3 HB2 LYS 135 HB2 LYS 135 111.750 -9.698 -15.503 4 HB3 LYS 135 HB3 LYS 135 112.648 -9.081 -16.869 5 HG2 LYS 135 HG2 LYS 135 113.384 -8.354 -14.038 6 HG3 LYS 135 HG3 LYS 135 113.967 -9.821 -14.813 7 HD2 LYS 135 HD2 LYS 135 114.267 -7.216 -16.273 8 HD3 LYS 135 HD3 LYS 135 115.371 -7.560 -14.945 9 HE2 LYS 135 HE2 LYS 135 114.893 -9.415 -17.290 10 HE3 LYS 135 HE3 LYS 135 116.252 -8.300 -17.163 11 HZ1 LYS 135 HZ1 LYS 135 115.698 -10.217 -14.996 12 HZ2 LYS 135 HZ2 LYS 135 116.545 -10.718 -16.376 13 HZ3 LYS 135 HZ3 LYS 135 117.161 -9.464 -15.412 No H/Q in entry = 13 In of MODEL 8 1 H SER 136 H SER 136 113.038 -5.626 -16.202 2 HA SER 136 HA SER 136 111.791 -4.802 -18.712 3 HB2 SER 136 HB2 SER 136 112.342 -2.943 -17.409 4 HB3 SER 136 HB3 SER 136 113.865 -3.646 -16.875 5 HG SER 136 HG SER 136 114.616 -3.404 -19.031 No H/Q in entry = 5 In of MODEL 8 1 H SER 137 H SER 137 115.229 -5.105 -17.819 2 HA SER 137 HA SER 137 115.905 -7.059 -19.737 3 HB2 SER 137 HB2 SER 137 115.417 -5.583 -21.501 4 HB3 SER 137 HB3 SER 137 116.050 -4.190 -20.631 5 HG SER 137 HG SER 137 117.371 -6.186 -22.054 No H/Q in entry = 5 In of MODEL 9 1 H1 PHE 1 H1 PHE 1 96.646 29.048 2.671 2 H2 PHE 1 H2 PHE 1 95.005 29.330 2.338 3 H3 PHE 1 H3 PHE 1 95.478 28.763 3.867 4 HA PHE 1 HA PHE 1 94.561 26.940 2.647 5 HB2 PHE 1 HB2 PHE 1 95.628 26.272 0.493 6 HB3 PHE 1 HB3 PHE 1 94.844 27.849 0.404 7 HD1 PHE 1 HD1 PHE 1 96.221 29.941 0.566 8 HD2 PHE 1 HD2 PHE 1 98.000 26.044 0.214 9 HE1 PHE 1 HE1 PHE 1 98.370 30.980 -0.112 10 HE2 PHE 1 HE2 PHE 1 100.145 27.088 -0.464 11 HZ PHE 1 HZ PHE 1 100.330 29.552 -0.623 No H/Q in entry = 11 In of MODEL 9 1 H ASN 2 H ASN 2 97.929 27.949 2.944 2 HA ASN 2 HA ASN 2 98.975 25.325 3.302 3 HB2 ASN 2 HB2 ASN 2 100.019 28.086 3.854 4 HB3 ASN 2 HB3 ASN 2 100.912 26.671 4.410 5 HD21 ASN 2 HD21 ASN 2 102.023 28.401 2.412 6 HD22 ASN 2 HD22 ASN 2 102.073 27.555 0.942 No H/Q in entry = 6 In of MODEL 9 1 H LYS 3 H LYS 3 97.373 27.572 5.397 2 HA LYS 3 HA LYS 3 98.291 27.032 7.909 3 HB2 LYS 3 HB2 LYS 3 96.101 27.608 8.722 4 HB3 LYS 3 HB3 LYS 3 96.338 28.524 7.234 5 HG2 LYS 3 HG2 LYS 3 95.141 26.674 6.001 6 HG3 LYS 3 HG3 LYS 3 94.767 25.949 7.560 7 HD2 LYS 3 HD2 LYS 3 93.544 27.939 8.233 8 HD3 LYS 3 HD3 LYS 3 93.897 28.696 6.670 9 HE2 LYS 3 HE2 LYS 3 92.789 26.834 5.522 10 HE3 LYS 3 HE3 LYS 3 92.478 26.064 7.078 11 HZ1 LYS 3 HZ1 LYS 3 91.462 28.742 6.274 12 HZ2 LYS 3 HZ2 LYS 3 90.556 27.312 6.205 13 HZ3 LYS 3 HZ3 LYS 3 91.085 27.908 7.706 No H/Q in entry = 13 In of MODEL 9 1 H LYS 4 H LYS 4 96.087 25.034 5.982 2 HA LYS 4 HA LYS 4 95.629 23.082 7.972 3 HB2 LYS 4 HB2 LYS 4 94.424 23.608 5.685 4 HB3 LYS 4 HB3 LYS 4 95.517 22.382 5.061 5 HG2 LYS 4 HG2 LYS 4 93.518 22.060 7.313 6 HG3 LYS 4 HG3 LYS 4 93.437 21.320 5.716 7 HD2 LYS 4 HD2 LYS 4 95.705 20.233 6.321 8 HD3 LYS 4 HD3 LYS 4 95.323 20.718 7.975 9 HE2 LYS 4 HE2 LYS 4 93.071 19.566 7.677 10 HE3 LYS 4 HE3 LYS 4 93.733 18.859 6.204 11 HZ1 LYS 4 HZ1 LYS 4 95.166 18.652 8.776 12 HZ2 LYS 4 HZ2 LYS 4 93.932 17.555 8.375 13 HZ3 LYS 4 HZ3 LYS 4 95.314 17.677 7.396 No H/Q in entry = 13 In of MODEL 9 1 H ALA 5 H ALA 5 98.008 23.498 5.458 2 HA ALA 5 HA ALA 5 99.229 21.033 5.270 3 HB1 ALA 5 HB1 ALA 5 101.011 22.153 4.260 4 HB2 ALA 5 HB2 ALA 5 100.861 23.550 5.313 5 HB3 ALA 5 HB3 ALA 5 99.685 23.288 4.035 No H/Q in entry = 5 In of MODEL 9 1 H ASP 6 H ASP 6 99.540 23.466 7.720 2 HA ASP 6 HA ASP 6 101.827 22.455 9.014 3 HB2 ASP 6 HB2 ASP 6 99.525 24.156 9.861 4 HB3 ASP 6 HB3 ASP 6 100.730 23.638 11.032 No H/Q in entry = 4 In of MODEL 9 1 H GLU 7 H GLU 7 98.361 21.692 9.363 2 HA GLU 7 HA GLU 7 98.628 20.030 11.631 3 HB2 GLU 7 HB2 GLU 7 96.631 19.531 9.477 4 HB3 GLU 7 HB3 GLU 7 96.455 19.272 11.205 5 HG2 GLU 7 HG2 GLU 7 96.677 21.764 11.491 6 HG3 GLU 7 HG3 GLU 7 96.545 21.905 9.738 No H/Q in entry = 6 In of MODEL 9 1 H ASN 8 H ASN 8 98.437 19.223 8.223 2 HA ASN 8 HA ASN 8 98.869 16.447 8.473 3 HB2 ASN 8 HB2 ASN 8 99.654 18.276 6.206 4 HB3 ASN 8 HB3 ASN 8 99.431 16.536 6.107 5 HD21 ASN 8 HD21 ASN 8 97.848 17.875 4.401 6 HD22 ASN 8 HD22 ASN 8 96.257 17.980 4.968 No H/Q in entry = 6 In of MODEL 9 1 H LYS 9 H LYS 9 100.944 19.194 8.277 2 HA LYS 9 HA LYS 9 103.412 17.841 7.953 3 HB2 LYS 9 HB2 LYS 9 103.527 20.098 7.429 4 HB3 LYS 9 HB3 LYS 9 102.498 20.538 8.760 5 HG2 LYS 9 HG2 LYS 9 104.237 20.538 10.311 6 HG3 LYS 9 HG3 LYS 9 105.200 19.457 9.332 7 HD2 LYS 9 HD2 LYS 9 106.234 21.600 9.199 8 HD3 LYS 9 HD3 LYS 9 105.482 21.314 7.643 9 HE2 LYS 9 HE2 LYS 9 103.914 22.771 9.742 10 HE3 LYS 9 HE3 LYS 9 105.204 23.634 8.917 11 HZ1 LYS 9 HZ1 LYS 9 103.291 22.065 7.333 12 HZ2 LYS 9 HZ2 LYS 9 102.841 23.605 7.894 13 HZ3 LYS 9 HZ3 LYS 9 104.195 23.433 6.885 No H/Q in entry = 13 In of MODEL 9 1 H VAL 10 H VAL 10 101.830 19.156 10.926 2 HA VAL 10 HA VAL 10 103.906 18.211 12.608 3 HB VAL 10 HB VAL 10 101.075 18.995 13.254 No H/Q in entry = 3 In of MODEL 9 1 H LYS 11 H LYS 11 100.685 16.873 11.914 2 HA LYS 11 HA LYS 11 100.976 14.604 13.557 3 HB2 LYS 11 HB2 LYS 11 99.276 15.174 11.162 4 HB3 LYS 11 HB3 LYS 11 99.241 13.621 11.965 5 HG2 LYS 11 HG2 LYS 11 97.489 14.764 13.023 6 HG3 LYS 11 HG3 LYS 11 98.821 15.003 14.145 7 HD2 LYS 11 HD2 LYS 11 99.275 17.199 12.963 8 HD3 LYS 11 HD3 LYS 11 97.764 16.955 12.089 9 HE2 LYS 11 HE2 LYS 11 98.207 17.432 15.020 10 HE3 LYS 11 HE3 LYS 11 97.096 18.252 13.923 11 HZ1 LYS 11 HZ1 LYS 11 95.838 16.164 13.754 12 HZ2 LYS 11 HZ2 LYS 11 96.875 15.458 14.899 13 HZ3 LYS 11 HZ3 LYS 11 95.881 16.762 15.341 No H/Q in entry = 13 In of MODEL 9 1 H GLY 12 H GLY 12 101.816 15.383 10.279 2 HA2 GLY 12 HA2 GLY 12 103.050 14.251 8.686 3 HA3 GLY 12 HA3 GLY 12 102.692 12.770 9.544 No H/Q in entry = 3 In of MODEL 9 1 H GLU 13 H GLU 13 104.504 15.692 10.579 2 HA GLU 13 HA GLU 13 107.058 14.502 10.379 3 HB2 GLU 13 HB2 GLU 13 106.033 16.745 12.128 4 HB3 GLU 13 HB3 GLU 13 107.716 16.223 12.144 5 HG2 GLU 13 HG2 GLU 13 107.957 16.710 9.794 6 HG3 GLU 13 HG3 GLU 13 106.247 17.085 9.654 No H/Q in entry = 6 In of MODEL 9 1 H ALA 14 H ALA 14 104.557 14.339 12.761 2 HA ALA 14 HA ALA 14 106.144 13.089 14.771 3 HB1 ALA 14 HB1 ALA 14 103.171 13.471 14.460 4 HB2 ALA 14 HB2 ALA 14 104.268 14.397 15.483 5 HB3 ALA 14 HB3 ALA 14 103.921 12.714 15.863 No H/Q in entry = 5 In of MODEL 9 1 H PHE 15 H PHE 15 103.977 12.162 12.220 2 HA PHE 15 HA PHE 15 103.537 9.455 12.843 3 HB2 PHE 15 HB2 PHE 15 102.339 10.862 11.170 4 HB3 PHE 15 HB3 PHE 15 103.760 10.802 10.149 5 HD1 PHE 15 HD1 PHE 15 104.216 8.947 8.783 6 HD2 PHE 15 HD2 PHE 15 101.095 8.751 11.714 7 HE1 PHE 15 HE1 PHE 15 103.334 6.887 7.718 8 HE2 PHE 15 HE2 PHE 15 100.239 6.669 10.675 9 HZ PHE 15 HZ PHE 15 101.359 5.754 8.668 No H/Q in entry = 9 In of MODEL 9 1 H LEU 16 H LEU 16 105.982 10.983 10.747 2 HA LEU 16 HA LEU 16 107.344 8.523 10.182 3 HB2 LEU 16 HB2 LEU 16 108.276 11.399 10.025 4 HB3 LEU 16 HB3 LEU 16 109.276 10.036 9.568 5 HG LEU 16 HG LEU 16 107.221 9.392 8.038 6 HD11 LEU 16 HD11 LEU 16 106.769 12.324 8.627 7 HD12 LEU 16 HD12 LEU 16 106.264 11.615 7.098 8 HD13 LEU 16 HD13 LEU 16 105.588 11.015 8.615 9 HD21 LEU 16 HD21 LEU 16 109.330 11.485 7.574 10 HD22 LEU 16 HD22 LEU 16 109.274 9.812 7.034 11 HD23 LEU 16 HD23 LEU 16 108.229 11.010 6.282 No H/Q in entry = 11 In of MODEL 9 1 H THR 17 H THR 17 107.697 11.054 12.574 2 HA THR 17 HA THR 17 110.092 10.110 13.698 3 HB THR 17 HB THR 17 107.878 11.616 15.071 4 HG1 THR 17 HG1 THR 17 108.596 13.129 13.818 5 HG21 THR 17 HG21 THR 17 110.685 10.893 15.847 6 HG22 THR 17 HG22 THR 17 109.879 12.313 16.506 7 HG23 THR 17 HG23 THR 17 109.198 10.716 16.782 No H/Q in entry = 7 In of MODEL 9 1 H GLU 18 H GLU 18 106.718 9.380 14.370 2 HA GLU 18 HA GLU 18 107.313 7.618 16.504 3 HB2 GLU 18 HB2 GLU 18 105.194 8.787 16.466 4 HB3 GLU 18 HB3 GLU 18 104.789 8.022 14.936 5 HG2 GLU 18 HG2 GLU 18 104.678 5.855 15.931 6 HG3 GLU 18 HG3 GLU 18 105.402 6.430 17.429 No H/Q in entry = 6 In of MODEL 9 1 H ASN 19 H ASN 19 106.438 7.212 13.093 2 HA ASN 19 HA ASN 19 106.227 4.411 13.135 3 HB2 ASN 19 HB2 ASN 19 105.452 5.758 11.255 4 HB3 ASN 19 HB3 ASN 19 107.116 6.164 10.854 5 HD21 ASN 19 HD21 ASN 19 107.715 4.948 9.105 6 HD22 ASN 19 HD22 ASN 19 107.355 3.308 8.876 No H/Q in entry = 6 In of MODEL 9 1 H LYS 20 H LYS 20 109.082 6.406 12.410 2 HA LYS 20 HA LYS 20 110.764 4.252 11.739 3 HB2 LYS 20 HB2 LYS 20 112.648 5.692 12.246 4 HB3 LYS 20 HB3 LYS 20 111.425 6.616 11.388 5 HG2 LYS 20 HG2 LYS 20 110.572 7.359 13.649 6 HG3 LYS 20 HG3 LYS 20 111.990 6.601 14.359 7 HD2 LYS 20 HD2 LYS 20 112.313 8.625 12.145 8 HD3 LYS 20 HD3 LYS 20 112.093 9.144 13.807 9 HE2 LYS 20 HE2 LYS 20 114.188 7.082 13.208 10 HE3 LYS 20 HE3 LYS 20 114.523 8.787 12.915 11 HZ1 LYS 20 HZ1 LYS 20 113.376 8.837 15.344 12 HZ2 LYS 20 HZ2 LYS 20 114.225 7.367 15.406 13 HZ3 LYS 20 HZ3 LYS 20 115.051 8.815 15.073 No H/Q in entry = 13 In of MODEL 9 1 H ASN 21 H ASN 21 109.665 5.523 14.769 2 HA ASN 21 HA ASN 21 111.493 4.013 16.411 3 HB2 ASN 21 HB2 ASN 21 109.101 5.741 16.954 4 HB3 ASN 21 HB3 ASN 21 109.847 4.798 18.235 5 HD21 ASN 21 HD21 ASN 21 112.313 5.572 16.106 6 HD22 ASN 21 HD22 ASN 21 112.862 6.998 16.846 No H/Q in entry = 6 In of MODEL 9 1 H LYS 22 H LYS 22 108.251 3.581 15.163 2 HA LYS 22 HA LYS 22 107.399 1.624 16.892 3 HB2 LYS 22 HB2 LYS 22 106.761 2.290 14.070 4 HB3 LYS 22 HB3 LYS 22 106.029 0.870 14.796 5 HG2 LYS 22 HG2 LYS 22 105.496 2.702 16.746 6 HG3 LYS 22 HG3 LYS 22 105.552 3.773 15.359 7 HD2 LYS 22 HD2 LYS 22 103.856 1.265 15.520 8 HD3 LYS 22 HD3 LYS 22 103.262 2.896 15.829 9 HE2 LYS 22 HE2 LYS 22 103.769 3.582 13.570 10 HE3 LYS 22 HE3 LYS 22 104.582 2.051 13.242 11 HZ1 LYS 22 HZ1 LYS 22 101.731 2.245 14.029 12 HZ2 LYS 22 HZ2 LYS 22 102.241 2.221 12.412 13 HZ3 LYS 22 HZ3 LYS 22 102.545 0.885 13.418 No H/Q in entry = 13 In of MODEL 9 1 HA PRO 23 HA PRO 23 110.019 -1.897 16.110 2 HB2 PRO 23 HB2 PRO 23 107.607 -3.631 16.354 3 HB3 PRO 23 HB3 PRO 23 109.138 -3.690 17.251 4 HG2 PRO 23 HG2 PRO 23 106.901 -2.757 18.366 5 HG3 PRO 23 HG3 PRO 23 108.491 -2.056 18.725 6 HD2 PRO 23 HD2 PRO 23 106.299 -0.958 16.995 7 HD3 PRO 23 HD3 PRO 23 107.451 -0.120 18.056 No H/Q in entry = 7 In of MODEL 9 1 H GLY 24 H GLY 24 110.617 -3.327 14.524 2 HA2 GLY 24 HA2 GLY 24 108.874 -4.173 12.405 3 HA3 GLY 24 HA3 GLY 24 110.592 -4.519 12.544 No H/Q in entry = 3 In of MODEL 9 1 H VAL 25 H VAL 25 109.632 -1.222 12.798 2 HA VAL 25 HA VAL 25 109.836 -0.673 9.960 3 HB VAL 25 HB VAL 25 109.805 1.260 12.288 No H/Q in entry = 3 In of MODEL 9 1 H VAL 26 H VAL 26 111.535 0.092 8.881 2 HA VAL 26 HA VAL 26 114.067 0.686 10.326 3 HB VAL 26 HB VAL 26 113.704 -0.673 7.643 No H/Q in entry = 3 In of MODEL 9 1 H VAL 27 H VAL 27 114.661 2.761 10.037 2 HA VAL 27 HA VAL 27 113.399 4.269 7.877 3 HB VAL 27 HB VAL 27 113.148 5.211 10.106 No H/Q in entry = 3 In of MODEL 9 1 H LEU 28 H LEU 28 114.387 5.534 6.449 2 HA LEU 28 HA LEU 28 117.242 4.901 6.012 3 HB2 LEU 28 HB2 LEU 28 115.104 5.592 3.992 4 HB3 LEU 28 HB3 LEU 28 116.763 5.224 3.607 5 HG LEU 28 HG LEU 28 114.897 3.298 4.987 6 HD11 LEU 28 HD11 LEU 28 114.274 3.914 2.635 7 HD12 LEU 28 HD12 LEU 28 115.853 3.357 2.113 8 HD13 LEU 28 HD13 LEU 28 114.705 2.224 2.814 9 HD21 LEU 28 HD21 LEU 28 117.716 3.120 3.892 10 HD22 LEU 28 HD22 LEU 28 117.165 2.734 5.521 11 HD23 LEU 28 HD23 LEU 28 116.721 1.695 4.177 No H/Q in entry = 11 In of MODEL 9 1 HA PRO 29 HA PRO 29 118.346 9.136 6.038 2 HB2 PRO 29 HB2 PRO 29 119.515 8.953 3.313 3 HB3 PRO 29 HB3 PRO 29 120.293 9.430 4.833 4 HG2 PRO 29 HG2 PRO 29 120.787 7.071 3.766 5 HG3 PRO 29 HG3 PRO 29 120.568 7.228 5.523 6 HD2 PRO 29 HD2 PRO 29 118.617 6.295 3.456 7 HD3 PRO 29 HD3 PRO 29 118.998 5.571 5.029 No H/Q in entry = 7 In of MODEL 9 1 H SER 30 H SER 30 116.798 8.025 3.079 2 HA SER 30 HA SER 30 116.080 10.601 2.106 3 HB2 SER 30 HB2 SER 30 114.634 8.013 1.532 4 HB3 SER 30 HB3 SER 30 114.738 9.444 0.508 5 HG SER 30 HG SER 30 117.151 8.955 0.755 No H/Q in entry = 5 In of MODEL 9 1 H GLY 31 H GLY 31 115.054 8.783 4.713 2 HA2 GLY 31 HA2 GLY 31 112.758 10.535 5.167 3 HA3 GLY 31 HA3 GLY 31 113.522 9.483 6.351 No H/Q in entry = 3 In of MODEL 9 1 H LEU 32 H LEU 32 113.300 7.669 3.649 2 HA LEU 32 HA LEU 32 110.514 6.934 3.845 3 HB2 LEU 32 HB2 LEU 32 111.735 6.883 1.668 4 HB3 LEU 32 HB3 LEU 32 112.768 5.624 2.292 5 HG LEU 32 HG LEU 32 110.763 4.990 0.751 6 HD11 LEU 32 HD11 LEU 32 112.165 3.365 1.917 7 HD12 LEU 32 HD12 LEU 32 111.122 3.467 3.323 8 HD13 LEU 32 HD13 LEU 32 110.493 2.846 1.808 9 HD21 LEU 32 HD21 LEU 32 109.104 6.262 2.040 10 HD22 LEU 32 HD22 LEU 32 108.656 4.584 1.830 11 HD23 LEU 32 HD23 LEU 32 109.263 5.135 3.371 No H/Q in entry = 11 In of MODEL 9 1 H GLN 33 H GLN 33 109.728 5.256 5.029 2 HA GLN 33 HA GLN 33 111.670 3.524 6.446 3 HB2 GLN 33 HB2 GLN 33 109.028 4.647 7.385 4 HB3 GLN 33 HB3 GLN 33 110.002 3.490 8.264 5 HG2 GLN 33 HG2 GLN 33 111.027 5.285 9.196 6 HG3 GLN 33 HG3 GLN 33 111.809 5.481 7.650 7 HE21 GLN 33 HE21 GLN 33 111.456 7.678 9.247 8 HE22 GLN 33 HE22 GLN 33 110.331 8.693 8.492 No H/Q in entry = 8 In of MODEL 9 1 H TYR 34 H TYR 34 111.223 1.363 6.603 2 HA TYR 34 HA TYR 34 108.693 0.392 5.494 3 HB2 TYR 34 HB2 TYR 34 109.769 -1.329 4.180 4 HB3 TYR 34 HB3 TYR 34 110.272 0.257 3.626 5 HD1 TYR 34 HD1 TYR 34 111.275 -2.586 5.783 6 HD2 TYR 34 HD2 TYR 34 112.567 0.881 3.634 7 HE1 TYR 34 HE1 TYR 34 113.637 -3.238 6.175 8 HE2 TYR 34 HE2 TYR 34 114.930 0.235 4.016 9 HH TYR 34 HH TYR 34 115.791 -2.851 5.438 No H/Q in entry = 9 In of MODEL 9 1 H LYS 35 H LYS 35 107.931 -1.454 6.249 2 HA LYS 35 HA LYS 35 109.427 -2.751 8.421 3 HB2 LYS 35 HB2 LYS 35 107.697 -1.245 9.281 4 HB3 LYS 35 HB3 LYS 35 106.473 -2.114 8.389 5 HG2 LYS 35 HG2 LYS 35 108.200 -3.790 10.074 6 HG3 LYS 35 HG3 LYS 35 107.227 -2.652 10.981 7 HD2 LYS 35 HD2 LYS 35 105.215 -3.492 9.797 8 HD3 LYS 35 HD3 LYS 35 106.226 -4.686 8.983 9 HE2 LYS 35 HE2 LYS 35 105.174 -5.703 10.937 10 HE3 LYS 35 HE3 LYS 35 106.904 -5.573 11.195 11 HZ1 LYS 35 HZ1 LYS 35 106.417 -3.426 12.358 12 HZ2 LYS 35 HZ2 LYS 35 104.774 -3.838 12.294 13 HZ3 LYS 35 HZ3 LYS 35 105.862 -4.819 13.154 No H/Q in entry = 13 In of MODEL 9 1 H VAL 36 H VAL 36 109.488 -4.868 8.295 2 HA VAL 36 HA VAL 36 108.160 -6.111 6.003 3 HB VAL 36 HB VAL 36 110.482 -6.549 6.174 No H/Q in entry = 3 In of MODEL 9 1 H ILE 37 H ILE 37 106.154 -6.645 6.325 2 HA ILE 37 HA ILE 37 105.093 -7.571 8.815 3 HB ILE 37 HB ILE 37 103.869 -8.059 6.097 4 HD11 ILE 37 HD11 ILE 37 104.157 -5.668 8.837 5 HD12 ILE 37 HD12 ILE 37 104.030 -4.219 7.883 6 HD13 ILE 37 HD13 ILE 37 102.587 -5.123 8.315 No H/Q in entry = 6 In of MODEL 9 1 H ASN 38 H ASN 38 106.184 -9.031 5.837 2 HA ASN 38 HA ASN 38 106.525 -11.616 7.174 3 HB2 ASN 38 HB2 ASN 38 105.033 -11.187 4.600 4 HB3 ASN 38 HB3 ASN 38 105.523 -12.745 5.197 5 HD21 ASN 38 HD21 ASN 38 103.377 -9.983 5.901 6 HD22 ASN 38 HD22 ASN 38 102.368 -10.834 6.965 No H/Q in entry = 6 In of MODEL 9 1 H SER 39 H SER 39 108.468 -12.445 6.662 2 HA SER 39 HA SER 39 110.053 -11.146 4.573 3 HB2 SER 39 HB2 SER 39 111.916 -11.977 5.624 4 HB3 SER 39 HB3 SER 39 110.820 -11.872 6.999 5 HG SER 39 HG SER 39 111.415 -14.143 5.400 No H/Q in entry = 5 In of MODEL 9 1 H GLY 40 H GLY 40 110.378 -11.993 2.635 2 HA2 GLY 40 HA2 GLY 40 109.373 -13.471 0.971 3 HA3 GLY 40 HA3 GLY 40 109.562 -14.784 2.125 No H/Q in entry = 3 In of MODEL 9 1 H ASN 41 H ASN 41 111.892 -12.236 1.506 2 HA ASN 41 HA ASN 41 114.044 -12.252 0.725 3 HB2 ASN 41 HB2 ASN 41 113.934 -15.173 1.452 4 HB3 ASN 41 HB3 ASN 41 115.382 -14.184 1.288 5 HD21 ASN 41 HD21 ASN 41 113.044 -12.181 2.636 6 HD22 ASN 41 HD22 ASN 41 113.399 -12.441 4.279 No H/Q in entry = 6 In of MODEL 9 1 H GLY 42 H GLY 42 111.811 -12.858 -1.123 2 HA2 GLY 42 HA2 GLY 42 111.411 -13.932 -3.168 3 HA3 GLY 42 HA3 GLY 42 112.974 -14.721 -3.047 No H/Q in entry = 3 In of MODEL 9 1 H VAL 43 H VAL 43 112.056 -13.607 -5.331 2 HA VAL 43 HA VAL 43 114.170 -11.858 -6.057 3 HB VAL 43 HB VAL 43 113.146 -11.822 -8.250 No H/Q in entry = 3 In of MODEL 9 1 H LYS 44 H LYS 44 113.306 -9.897 -7.504 2 HA LYS 44 HA LYS 44 111.120 -8.404 -6.746 3 HB2 LYS 44 HB2 LYS 44 111.855 -6.794 -5.159 4 HB3 LYS 44 HB3 LYS 44 112.212 -8.349 -4.497 5 HG2 LYS 44 HG2 LYS 44 114.394 -7.012 -6.053 6 HG3 LYS 44 HG3 LYS 44 114.004 -6.359 -4.476 7 HD2 LYS 44 HD2 LYS 44 114.332 -9.333 -4.649 8 HD3 LYS 44 HD3 LYS 44 115.790 -8.360 -4.790 9 HE2 LYS 44 HE2 LYS 44 115.453 -7.392 -2.621 10 HE3 LYS 44 HE3 LYS 44 113.808 -7.987 -2.524 11 HZ1 LYS 44 HZ1 LYS 44 115.729 -10.059 -2.995 12 HZ2 LYS 44 HZ2 LYS 44 116.015 -9.224 -1.546 13 HZ3 LYS 44 HZ3 LYS 44 114.513 -9.961 -1.816 No H/Q in entry = 13 In of MODEL 9 1 HA PRO 45 HA PRO 45 112.654 -6.187 -10.157 2 HB2 PRO 45 HB2 PRO 45 111.055 -3.950 -10.020 3 HB3 PRO 45 HB3 PRO 45 110.520 -5.528 -10.553 4 HG2 PRO 45 HG2 PRO 45 109.835 -4.096 -8.134 5 HG3 PRO 45 HG3 PRO 45 109.148 -5.572 -8.807 6 HD2 PRO 45 HD2 PRO 45 111.041 -5.316 -6.627 7 HD3 PRO 45 HD3 PRO 45 110.127 -6.745 -7.182 No H/Q in entry = 7 In of MODEL 9 1 H GLY 46 H GLY 46 113.534 -4.252 -11.110 2 HA2 GLY 46 HA2 GLY 46 115.514 -2.907 -10.982 3 HA3 GLY 46 HA3 GLY 46 115.253 -2.750 -9.246 No H/Q in entry = 3 In of MODEL 9 1 H LYS 47 H LYS 47 115.643 -0.462 -10.126 2 HA LYS 47 HA LYS 47 113.338 1.011 -9.760 3 HB2 LYS 47 HB2 LYS 47 114.546 2.951 -10.486 4 HB3 LYS 47 HB3 LYS 47 115.609 1.949 -9.510 5 HG2 LYS 47 HG2 LYS 47 115.562 1.736 -12.540 6 HG3 LYS 47 HG3 LYS 47 116.524 2.949 -11.719 7 HD2 LYS 47 HD2 LYS 47 118.155 1.431 -11.350 8 HD3 LYS 47 HD3 LYS 47 117.064 0.439 -10.409 9 HE2 LYS 47 HE2 LYS 47 118.055 -0.814 -12.250 10 HE3 LYS 47 HE3 LYS 47 116.316 -0.674 -12.487 11 HZ1 LYS 47 HZ1 LYS 47 118.389 1.039 -13.751 12 HZ2 LYS 47 HZ2 LYS 47 117.529 -0.205 -14.524 13 HZ3 LYS 47 HZ3 LYS 47 116.712 1.181 -13.986 No H/Q in entry = 13 In of MODEL 9 1 H SER 48 H SER 48 114.518 -0.499 -12.602 2 HA SER 48 HA SER 48 112.607 1.041 -14.273 3 HB2 SER 48 HB2 SER 48 115.066 -0.559 -14.912 4 HB3 SER 48 HB3 SER 48 113.938 -0.039 -16.163 5 HG SER 48 HG SER 48 114.504 1.985 -14.475 No H/Q in entry = 5 In of MODEL 9 1 H ASP 49 H ASP 49 112.799 -1.913 -12.693 2 HA ASP 49 HA ASP 49 111.488 -3.556 -14.703 3 HB2 ASP 49 HB2 ASP 49 113.054 -4.389 -13.036 4 HB3 ASP 49 HB3 ASP 49 111.973 -3.962 -11.797 No H/Q in entry = 4 In of MODEL 9 1 H THR 50 H THR 50 109.476 -4.715 -14.016 2 HA THR 50 HA THR 50 107.549 -2.842 -12.817 3 HB THR 50 HB THR 50 106.880 -4.988 -14.789 4 HG1 THR 50 HG1 THR 50 107.975 -2.501 -15.151 5 HG21 THR 50 HG21 THR 50 105.452 -2.576 -13.716 6 HG22 THR 50 HG22 THR 50 104.927 -3.450 -15.147 7 HG23 THR 50 HG23 THR 50 104.975 -4.277 -13.590 No H/Q in entry = 7 In of MODEL 9 1 H VAL 51 H VAL 51 106.136 -3.544 -11.356 2 HA VAL 51 HA VAL 51 106.689 -6.224 -10.220 3 HB VAL 51 HB VAL 51 107.654 -4.218 -9.029 No H/Q in entry = 3 In of MODEL 9 1 H THR 52 H THR 52 105.001 -7.138 -8.877 2 HA THR 52 HA THR 52 102.264 -6.150 -9.571 3 HB THR 52 HB THR 52 103.232 -9.010 -9.391 4 HG1 THR 52 HG1 THR 52 102.576 -7.270 -11.490 5 HG21 THR 52 HG21 THR 52 100.522 -7.756 -9.637 6 HG22 THR 52 HG22 THR 52 100.840 -9.327 -10.365 7 HG23 THR 52 HG23 THR 52 101.042 -9.119 -8.637 No H/Q in entry = 7 In of MODEL 9 1 H VAL 53 H VAL 53 101.242 -5.525 -7.708 2 HA VAL 53 HA VAL 53 101.663 -7.128 -5.260 3 HB VAL 53 HB VAL 53 102.307 -5.230 -3.951 No H/Q in entry = 3 In of MODEL 9 1 H GLU 54 H GLU 54 100.306 -6.447 -3.428 2 HA GLU 54 HA GLU 54 97.759 -5.099 -4.248 3 HB2 GLU 54 HB2 GLU 54 97.736 -7.057 -1.943 4 HB3 GLU 54 HB3 GLU 54 96.423 -6.471 -2.945 5 HG2 GLU 54 HG2 GLU 54 96.712 -8.044 -4.545 6 HG3 GLU 54 HG3 GLU 54 98.445 -8.088 -4.387 No H/Q in entry = 6 In of MODEL 9 1 H TYR 55 H TYR 55 96.950 -3.535 -2.589 2 HA TYR 55 HA TYR 55 98.562 -3.261 -0.182 3 HB2 TYR 55 HB2 TYR 55 99.341 -0.974 -0.883 4 HB3 TYR 55 HB3 TYR 55 100.013 -2.282 -1.863 5 HD1 TYR 55 HD1 TYR 55 97.386 0.340 -1.748 6 HD2 TYR 55 HD2 TYR 55 99.398 -2.552 -4.186 7 HE1 TYR 55 HE1 TYR 55 96.250 1.244 -3.738 8 HE2 TYR 55 HE2 TYR 55 98.252 -1.639 -6.183 9 HH TYR 55 HH TYR 55 97.126 0.283 -6.952 No H/Q in entry = 9 In of MODEL 9 1 H THR 56 H THR 56 98.013 -1.415 1.181 2 HA THR 56 HA THR 56 95.433 -0.150 0.625 3 HB THR 56 HB THR 56 96.127 -1.593 3.123 4 HG1 THR 56 HG1 THR 56 93.939 -2.183 2.866 5 HG21 THR 56 HG21 THR 56 94.131 0.677 2.921 6 HG22 THR 56 HG22 THR 56 94.339 -0.387 4.310 7 HG23 THR 56 HG23 THR 56 95.622 0.728 3.859 No H/Q in entry = 7 In of MODEL 9 1 H GLY 57 H GLY 57 95.446 1.995 0.719 2 HA2 GLY 57 HA2 GLY 57 96.981 3.900 0.572 3 HA3 GLY 57 HA3 GLY 57 97.839 3.254 1.963 No H/Q in entry = 3 In of MODEL 9 1 H ARG 58 H ARG 58 97.619 4.811 3.497 2 HA ARG 58 HA ARG 58 95.048 6.123 3.831 3 HB2 ARG 58 HB2 ARG 58 94.605 5.444 6.006 4 HB3 ARG 58 HB3 ARG 58 95.124 3.957 5.223 5 HG2 ARG 58 HG2 ARG 58 97.321 4.094 6.206 6 HG3 ARG 58 HG3 ARG 58 97.028 5.712 6.827 7 HD2 ARG 58 HD2 ARG 58 96.677 4.418 8.712 8 HD3 ARG 58 HD3 ARG 58 95.049 4.590 8.093 9 HE ARG 58 HE ARG 58 96.742 2.184 7.704 10 HH11 ARG 58 HH11 ARG 58 93.602 3.698 7.885 11 HH12 ARG 58 HH12 ARG 58 92.744 2.201 7.810 12 HH21 ARG 58 HH21 ARG 58 95.594 0.251 7.583 13 HH22 ARG 58 HH22 ARG 58 93.863 0.258 7.649 No H/Q in entry = 13 In of MODEL 9 1 H LEU 59 H LEU 59 95.085 7.736 5.571 2 HA LEU 59 HA LEU 59 97.452 9.405 5.326 3 HB2 LEU 59 HB2 LEU 59 94.645 9.706 6.146 4 HB3 LEU 59 HB3 LEU 59 95.735 10.746 7.024 5 HG LEU 59 HG LEU 59 96.646 11.413 4.689 6 HD11 LEU 59 HD11 LEU 59 95.482 9.626 3.444 7 HD12 LEU 59 HD12 LEU 59 93.946 10.301 3.918 8 HD13 LEU 59 HD13 LEU 59 95.009 11.221 2.894 9 HD21 LEU 59 HD21 LEU 59 95.174 12.818 6.224 10 HD22 LEU 59 HD22 LEU 59 95.088 13.192 4.510 11 HD23 LEU 59 HD23 LEU 59 93.812 12.270 5.265 No H/Q in entry = 11 In of MODEL 9 1 H ILE 60 H ILE 60 98.293 10.505 7.235 2 HA ILE 60 HA ILE 60 99.270 8.739 9.215 3 HB ILE 60 HB ILE 60 100.236 10.631 10.241 4 HD11 ILE 60 HD11 ILE 60 98.837 12.792 7.541 5 HD12 ILE 60 HD12 ILE 60 97.409 11.930 8.112 6 HD13 ILE 60 HD13 ILE 60 97.666 13.592 8.593 No H/Q in entry = 6 In of MODEL 9 1 H ASP 61 H ASP 61 96.475 10.619 8.926 2 HA ASP 61 HA ASP 61 95.733 10.482 11.743 3 HB2 ASP 61 HB2 ASP 61 95.452 12.525 10.264 4 HB3 ASP 61 HB3 ASP 61 94.139 11.650 9.470 No H/Q in entry = 4 In of MODEL 9 1 H GLY 62 H GLY 62 95.576 8.340 9.281 2 HA2 GLY 62 HA2 GLY 62 93.312 6.957 10.517 3 HA3 GLY 62 HA3 GLY 62 94.457 6.286 9.381 No H/Q in entry = 3 In of MODEL 9 1 H THR 63 H THR 63 93.481 9.196 8.086 2 HA THR 63 HA THR 63 90.908 8.420 7.050 3 HB THR 63 HB THR 63 92.730 10.449 5.783 4 HG1 THR 63 HG1 THR 63 91.081 10.658 8.068 5 HG21 THR 63 HG21 THR 63 90.549 9.688 4.723 6 HG22 THR 63 HG22 THR 63 89.746 10.459 6.084 7 HG23 THR 63 HG23 THR 63 90.728 11.423 4.985 No H/Q in entry = 7 In of MODEL 9 1 H VAL 64 H VAL 64 90.826 6.580 5.870 2 HA VAL 64 HA VAL 64 92.938 5.822 4.082 3 HB VAL 64 HB VAL 64 90.182 4.654 4.409 No H/Q in entry = 3 In of MODEL 9 1 H PHE 65 H PHE 65 93.280 6.367 2.112 2 HA PHE 65 HA PHE 65 91.061 7.668 0.633 3 HB2 PHE 65 HB2 PHE 65 92.637 9.066 -0.449 4 HB3 PHE 65 HB3 PHE 65 92.955 9.125 1.277 5 HD1 PHE 65 HD1 PHE 65 94.812 7.730 2.232 6 HD2 PHE 65 HD2 PHE 65 94.352 8.408 -1.978 7 HE1 PHE 65 HE1 PHE 65 97.217 7.213 1.888 8 HE2 PHE 65 HE2 PHE 65 96.753 7.879 -2.323 9 HZ PHE 65 HZ PHE 65 98.183 7.304 -0.379 No H/Q in entry = 9 In of MODEL 9 1 H ASP 66 H ASP 66 93.085 4.982 0.714 2 HA ASP 66 HA ASP 66 91.961 4.066 -1.764 3 HB2 ASP 66 HB2 ASP 66 93.917 5.509 -2.444 4 HB3 ASP 66 HB3 ASP 66 94.961 4.284 -1.730 No H/Q in entry = 4 In of MODEL 9 1 H SER 67 H SER 67 92.316 1.863 -2.211 2 HA SER 67 HA SER 67 93.942 0.288 -0.495 3 HB2 SER 67 HB2 SER 67 92.205 -0.954 0.634 4 HB3 SER 67 HB3 SER 67 92.054 0.762 1.003 5 HG SER 67 HG SER 67 90.258 -0.851 -0.103 No H/Q in entry = 5 In of MODEL 9 1 H THR 68 H THR 68 94.044 -1.931 -0.991 2 HA THR 68 HA THR 68 92.650 -2.866 -3.386 3 HB THR 68 HB THR 68 95.666 -2.644 -3.279 4 HG1 THR 68 HG1 THR 68 94.846 -0.675 -3.778 5 HG21 THR 68 HG21 THR 68 93.767 -3.805 -5.321 6 HG22 THR 68 HG22 THR 68 95.444 -3.416 -5.676 7 HG23 THR 68 HG23 THR 68 95.065 -4.630 -4.468 No H/Q in entry = 7 In of MODEL 9 1 H GLU 69 H GLU 69 95.179 -3.472 -0.973 2 HA GLU 69 HA GLU 69 95.276 -6.257 -1.244 3 HB2 GLU 69 HB2 GLU 69 96.254 -6.290 0.982 4 HB3 GLU 69 HB3 GLU 69 96.977 -5.086 -0.071 5 HG2 GLU 69 HG2 GLU 69 96.692 -3.961 1.948 6 HG3 GLU 69 HG3 GLU 69 95.379 -3.432 0.918 No H/Q in entry = 6 In of MODEL 9 1 H LYS 70 H LYS 70 92.951 -4.202 0.262 2 HA LYS 70 HA LYS 70 91.742 -5.957 2.045 3 HB2 LYS 70 HB2 LYS 70 90.439 -3.935 0.233 4 HB3 LYS 70 HB3 LYS 70 89.686 -4.636 1.654 5 HG2 LYS 70 HG2 LYS 70 92.307 -3.155 1.730 6 HG3 LYS 70 HG3 LYS 70 90.771 -2.325 1.935 7 HD2 LYS 70 HD2 LYS 70 91.944 -4.472 3.742 8 HD3 LYS 70 HD3 LYS 70 91.696 -2.776 4.124 9 HE2 LYS 70 HE2 LYS 70 89.832 -3.699 5.140 10 HE3 LYS 70 HE3 LYS 70 89.163 -3.355 3.546 11 HZ1 LYS 70 HZ1 LYS 70 90.494 -5.883 3.654 12 HZ2 LYS 70 HZ2 LYS 70 89.230 -5.788 4.785 13 HZ3 LYS 70 HZ3 LYS 70 88.922 -5.514 3.135 No H/Q in entry = 13 In of MODEL 9 1 H THR 71 H THR 71 91.393 -5.493 -1.398 2 HA THR 71 HA THR 71 89.482 -7.619 -1.753 3 HB THR 71 HB THR 71 89.801 -7.180 -4.141 4 HG1 THR 71 HG1 THR 71 91.282 -5.230 -4.436 5 HG21 THR 71 HG21 THR 71 88.317 -5.697 -2.830 6 HG22 THR 71 HG22 THR 71 89.687 -4.631 -2.519 7 HG23 THR 71 HG23 THR 71 89.086 -4.832 -4.163 No H/Q in entry = 7 In of MODEL 9 1 H GLY 72 H GLY 72 92.945 -7.142 -1.997 2 HA2 GLY 72 HA2 GLY 72 93.408 -9.991 -1.906 3 HA3 GLY 72 HA3 GLY 72 94.625 -8.729 -1.785 No H/Q in entry = 3 In of MODEL 9 1 H LYS 73 H LYS 73 93.224 -7.552 -4.308 2 HA LYS 73 HA LYS 73 94.259 -9.473 -6.288 3 HB2 LYS 73 HB2 LYS 73 92.384 -7.145 -6.430 4 HB3 LYS 73 HB3 LYS 73 93.160 -7.719 -7.900 5 HG2 LYS 73 HG2 LYS 73 91.429 -9.174 -8.079 6 HG3 LYS 73 HG3 LYS 73 92.192 -10.095 -6.794 7 HD2 LYS 73 HD2 LYS 73 90.859 -8.991 -5.114 8 HD3 LYS 73 HD3 LYS 73 90.205 -7.863 -6.306 9 HE2 LYS 73 HE2 LYS 73 88.839 -10.028 -5.589 10 HE3 LYS 73 HE3 LYS 73 88.818 -9.459 -7.259 11 HZ1 LYS 73 HZ1 LYS 73 90.697 -10.981 -7.697 12 HZ2 LYS 73 HZ2 LYS 73 90.521 -11.611 -6.129 13 HZ3 LYS 73 HZ3 LYS 73 89.265 -11.783 -7.257 No H/Q in entry = 13 In of MODEL 9 1 HA PRO 74 HA PRO 74 97.934 -6.975 -6.351 2 HB2 PRO 74 HB2 PRO 74 98.619 -8.606 -8.737 3 HB3 PRO 74 HB3 PRO 74 99.551 -8.291 -7.264 4 HG2 PRO 74 HG2 PRO 74 98.389 -10.639 -7.659 5 HG3 PRO 74 HG3 PRO 74 98.430 -9.893 -6.061 6 HD2 PRO 74 HD2 PRO 74 96.181 -10.010 -8.020 7 HD3 PRO 74 HD3 PRO 74 96.199 -10.246 -6.264 No H/Q in entry = 7 In of MODEL 9 1 H ALA 75 H ALA 75 98.839 -5.375 -7.538 2 HA ALA 75 HA ALA 75 97.539 -4.566 -10.072 3 HB1 ALA 75 HB1 ALA 75 97.094 -3.193 -7.823 4 HB2 ALA 75 HB2 ALA 75 97.306 -2.379 -9.370 5 HB3 ALA 75 HB3 ALA 75 98.654 -2.485 -8.240 No H/Q in entry = 5 In of MODEL 9 1 H THR 76 H THR 76 99.043 -3.593 -11.601 2 HA THR 76 HA THR 76 101.840 -4.278 -10.995 3 HB THR 76 HB THR 76 101.137 -5.407 -12.921 4 HG1 THR 76 HG1 THR 76 102.631 -4.680 -14.275 5 HG21 THR 76 HG21 THR 76 99.989 -2.747 -13.792 6 HG22 THR 76 HG22 THR 76 100.126 -4.147 -14.855 7 HG23 THR 76 HG23 THR 76 99.093 -4.221 -13.428 No H/Q in entry = 7 In of MODEL 9 1 H PHE 77 H PHE 77 103.463 -2.901 -11.020 2 HA PHE 77 HA PHE 77 103.050 -0.161 -11.981 3 HB2 PHE 77 HB2 PHE 77 104.183 -0.912 -9.306 4 HB3 PHE 77 HB3 PHE 77 104.231 0.692 -9.965 5 HD1 PHE 77 HD1 PHE 77 102.641 -1.080 -7.614 6 HD2 PHE 77 HD2 PHE 77 101.675 1.277 -11.061 7 HE1 PHE 77 HE1 PHE 77 100.333 -0.667 -6.707 8 HE2 PHE 77 HE2 PHE 77 99.425 1.687 -10.182 9 HZ PHE 77 HZ PHE 77 98.732 0.709 -8.013 No H/Q in entry = 9 In of MODEL 9 1 H GLN 78 H GLN 78 104.839 0.854 -12.596 2 HA GLN 78 HA GLN 78 107.210 -0.804 -12.992 3 HB2 GLN 78 HB2 GLN 78 106.445 1.856 -14.193 4 HB3 GLN 78 HB3 GLN 78 108.022 1.118 -14.382 5 HG2 GLN 78 HG2 GLN 78 106.839 -0.942 -15.250 6 HG3 GLN 78 HG3 GLN 78 105.386 0.028 -15.326 7 HE21 GLN 78 HE21 GLN 78 107.932 2.071 -15.847 8 HE22 GLN 78 HE22 GLN 78 107.991 2.054 -17.540 No H/Q in entry = 8 In of MODEL 9 1 H VAL 79 H VAL 79 108.873 -0.614 -11.626 2 HA VAL 79 HA VAL 79 108.596 0.920 -9.332 3 HB VAL 79 HB VAL 79 111.222 0.100 -10.581 No H/Q in entry = 3 In of MODEL 9 1 H SER 80 H SER 80 109.918 1.807 -12.509 2 HA SER 80 HA SER 80 111.267 4.142 -11.577 3 HB2 SER 80 HB2 SER 80 112.120 3.416 -13.607 4 HB3 SER 80 HB3 SER 80 110.523 3.074 -14.260 5 HG SER 80 HG SER 80 111.989 5.330 -14.387 No H/Q in entry = 5 In of MODEL 9 1 H GLN 81 H GLN 81 107.999 3.485 -12.522 2 HA GLN 81 HA GLN 81 107.375 6.370 -12.669 3 HB2 GLN 81 HB2 GLN 81 105.611 3.989 -13.244 4 HB3 GLN 81 HB3 GLN 81 105.240 5.670 -13.602 5 HG2 GLN 81 HG2 GLN 81 107.385 3.925 -14.852 6 HG3 GLN 81 HG3 GLN 81 105.944 4.656 -15.643 7 HE21 GLN 81 HE21 GLN 81 109.227 5.059 -15.445 8 HE22 GLN 81 HE22 GLN 81 109.324 6.736 -15.678 No H/Q in entry = 8 In of MODEL 9 1 H VAL 82 H VAL 82 107.160 3.698 -10.489 2 HA VAL 82 HA VAL 82 104.733 4.506 -9.279 3 HB VAL 82 HB VAL 82 105.905 2.238 -9.213 No H/Q in entry = 3 In of MODEL 9 1 H ILE 83 H ILE 83 104.646 5.075 -6.812 2 HA ILE 83 HA ILE 83 105.603 7.642 -6.563 3 HB ILE 83 HB ILE 83 105.355 6.433 -3.899 4 HD11 ILE 83 HD11 ILE 83 103.267 5.768 -2.897 5 HD12 ILE 83 HD12 ILE 83 102.073 6.544 -3.940 6 HD13 ILE 83 HD13 ILE 83 102.139 4.790 -3.825 No H/Q in entry = 6 In of MODEL 9 1 HA PRO 84 HA PRO 84 109.984 7.341 -5.791 2 HB2 PRO 84 HB2 PRO 84 109.566 9.143 -3.438 3 HB3 PRO 84 HB3 PRO 84 110.724 9.294 -4.775 4 HG2 PRO 84 HG2 PRO 84 108.566 10.818 -4.690 5 HG3 PRO 84 HG3 PRO 84 109.126 10.131 -6.213 6 HD2 PRO 84 HD2 PRO 84 106.842 9.299 -4.531 7 HD3 PRO 84 HD3 PRO 84 106.965 9.309 -6.292 No H/Q in entry = 7 In of MODEL 9 1 H GLY 85 H GLY 85 108.040 7.349 -2.806 2 HA2 GLY 85 HA2 GLY 85 108.191 6.002 -0.945 3 HA3 GLY 85 HA3 GLY 85 109.931 6.062 -1.175 No H/Q in entry = 3 In of MODEL 9 1 H TRP 86 H TRP 86 107.301 4.824 -3.129 2 HA TRP 86 HA TRP 86 107.637 2.063 -2.631 3 HB2 TRP 86 HB2 TRP 86 106.270 3.776 -4.669 4 HB3 TRP 86 HB3 TRP 86 106.463 2.069 -5.049 5 HD1 TRP 86 HD1 TRP 86 105.312 4.022 -1.868 6 HE1 TRP 86 HE1 TRP 86 103.201 2.874 -0.985 7 HE3 TRP 86 HE3 TRP 86 104.846 0.317 -5.305 8 HZ2 TRP 86 HZ2 TRP 86 101.537 0.671 -1.671 9 HZ3 TRP 86 HZ3 TRP 86 102.982 -1.264 -5.166 10 HH2 TRP 86 HH2 TRP 86 101.313 -1.102 -3.358 No H/Q in entry = 10 In of MODEL 9 1 H THR 87 H THR 87 109.083 4.265 -4.975 2 HA THR 87 HA THR 87 110.150 2.525 -6.799 3 HB THR 87 HB THR 87 111.567 4.928 -5.668 4 HG1 THR 87 HG1 THR 87 109.292 5.180 -6.313 5 HG21 THR 87 HG21 THR 87 112.778 3.410 -7.305 6 HG22 THR 87 HG22 THR 87 111.558 3.880 -8.473 7 HG23 THR 87 HG23 THR 87 112.595 5.088 -7.793 No H/Q in entry = 7 In of MODEL 9 1 H GLU 88 H GLU 88 111.720 3.687 -3.844 2 HA GLU 88 HA GLU 88 113.981 1.967 -4.074 3 HB2 GLU 88 HB2 GLU 88 114.005 4.141 -2.916 4 HB3 GLU 88 HB3 GLU 88 112.948 3.477 -1.670 5 HG2 GLU 88 HG2 GLU 88 114.658 1.771 -1.145 6 HG3 GLU 88 HG3 GLU 88 115.716 2.450 -2.378 No H/Q in entry = 6 In of MODEL 9 1 H ALA 89 H ALA 89 111.067 1.842 -2.041 2 HA ALA 89 HA ALA 89 111.759 -0.321 -0.441 3 HB1 ALA 89 HB1 ALA 89 109.082 0.671 -1.373 4 HB2 ALA 89 HB2 ALA 89 109.898 1.001 0.153 5 HB3 ALA 89 HB3 ALA 89 109.278 -0.610 -0.181 No H/Q in entry = 5 In of MODEL 9 1 H LEU 90 H LEU 90 109.940 -0.477 -3.552 2 HA LEU 90 HA LEU 90 109.349 -3.225 -3.465 3 HB2 LEU 90 HB2 LEU 90 110.067 -1.546 -5.879 4 HB3 LEU 90 HB3 LEU 90 109.226 -3.085 -5.916 5 HG LEU 90 HG LEU 90 108.149 -0.780 -4.298 6 HD11 LEU 90 HD11 LEU 90 107.780 -1.308 -7.233 7 HD12 LEU 90 HD12 LEU 90 106.754 -0.236 -6.311 8 HD13 LEU 90 HD13 LEU 90 108.465 0.119 -6.490 9 HD21 LEU 90 HD21 LEU 90 107.032 -3.304 -5.485 10 HD22 LEU 90 HD22 LEU 90 107.004 -2.776 -3.817 11 HD23 LEU 90 HD23 LEU 90 105.985 -1.989 -5.019 No H/Q in entry = 11 In of MODEL 9 1 H GLN 91 H GLN 91 112.155 -1.486 -4.693 2 HA GLN 91 HA GLN 91 113.575 -3.649 -5.753 3 HB2 GLN 91 HB2 GLN 91 114.581 -1.052 -4.595 4 HB3 GLN 91 HB3 GLN 91 115.512 -2.140 -5.619 5 HG2 GLN 91 HG2 GLN 91 113.933 -1.839 -7.448 6 HG3 GLN 91 HG3 GLN 91 112.903 -0.832 -6.428 7 HE21 GLN 91 HE21 GLN 91 113.152 1.267 -7.251 8 HE22 GLN 91 HE22 GLN 91 114.648 2.009 -7.555 No H/Q in entry = 8 In of MODEL 9 1 H LEU 92 H LEU 92 112.988 -2.632 -2.522 2 HA LEU 92 HA LEU 92 115.204 -4.301 -1.483 3 HB2 LEU 92 HB2 LEU 92 113.511 -2.212 -0.105 4 HB3 LEU 92 HB3 LEU 92 114.790 -3.153 0.660 5 HG LEU 92 HG LEU 92 115.182 -1.298 -1.691 6 HD11 LEU 92 HD11 LEU 92 115.761 -0.961 1.234 7 HD12 LEU 92 HD12 LEU 92 116.327 0.120 -0.042 8 HD13 LEU 92 HD13 LEU 92 114.602 -0.057 0.264 9 HD21 LEU 92 HD21 LEU 92 117.000 -3.083 -0.124 10 HD22 LEU 92 HD22 LEU 92 116.921 -2.831 -1.867 11 HD23 LEU 92 HD23 LEU 92 117.622 -1.598 -0.835 No H/Q in entry = 11 In of MODEL 9 1 H MET 93 H MET 93 111.879 -4.349 -2.020 2 HA MET 93 HA MET 93 111.291 -6.079 0.258 3 HB2 MET 93 HB2 MET 93 109.665 -4.393 -0.377 4 HB3 MET 93 HB3 MET 93 109.559 -5.079 -1.999 5 HG2 MET 93 HG2 MET 93 108.601 -7.101 -1.176 6 HG3 MET 93 HG3 MET 93 108.991 -6.687 0.494 7 HE1 MET 93 HE1 MET 93 107.414 -5.773 -2.653 8 HE2 MET 93 HE2 MET 93 105.731 -6.030 -2.183 9 HE3 MET 93 HE3 MET 93 106.377 -4.401 -2.315 No H/Q in entry = 9 In of MODEL 9 1 HA PRO 94 HA PRO 94 112.334 -9.564 -2.585 2 HB2 PRO 94 HB2 PRO 94 111.893 -11.193 -0.173 3 HB3 PRO 94 HB3 PRO 94 113.308 -11.126 -1.238 4 HG2 PRO 94 HG2 PRO 94 113.375 -10.084 1.206 5 HG3 PRO 94 HG3 PRO 94 114.182 -9.284 -0.157 6 HD2 PRO 94 HD2 PRO 94 111.537 -8.636 1.092 7 HD3 PRO 94 HD3 PRO 94 112.846 -7.563 0.610 No H/Q in entry = 7 In of MODEL 9 1 H ALA 95 H ALA 95 111.144 -11.092 -3.644 2 HA ALA 95 HA ALA 95 108.357 -10.807 -3.604 3 HB1 ALA 95 HB1 ALA 95 110.073 -12.899 -4.880 4 HB2 ALA 95 HB2 ALA 95 108.319 -12.796 -5.096 5 HB3 ALA 95 HB3 ALA 95 109.349 -11.473 -5.630 No H/Q in entry = 5 In of MODEL 9 1 H GLY 96 H GLY 96 106.760 -11.722 -2.621 2 HA2 GLY 96 HA2 GLY 96 107.176 -14.210 -1.114 3 HA3 GLY 96 HA3 GLY 96 105.630 -13.455 -1.512 No H/Q in entry = 3 In of MODEL 9 1 H SER 97 H SER 97 108.146 -11.353 -0.519 2 HA SER 97 HA SER 97 107.438 -11.423 2.298 3 HB2 SER 97 HB2 SER 97 109.273 -10.022 2.637 4 HB3 SER 97 HB3 SER 97 109.773 -10.911 1.195 5 HG SER 97 HG SER 97 108.553 -9.055 0.114 No H/Q in entry = 5 In of MODEL 9 1 H THR 98 H THR 98 106.031 -10.132 3.279 2 HA THR 98 HA THR 98 104.692 -8.049 1.680 3 HB THR 98 HB THR 98 103.728 -9.379 4.217 4 HG1 THR 98 HG1 THR 98 103.419 -10.909 2.751 5 HG21 THR 98 HG21 THR 98 102.523 -7.400 2.267 6 HG22 THR 98 HG22 THR 98 101.584 -8.319 3.448 7 HG23 THR 98 HG23 THR 98 102.822 -7.190 3.991 No H/Q in entry = 7 In of MODEL 9 1 H TRP 99 H TRP 99 105.457 -6.079 2.036 2 HA TRP 99 HA TRP 99 106.371 -5.399 4.774 3 HB2 TRP 99 HB2 TRP 99 107.211 -4.272 2.098 4 HB3 TRP 99 HB3 TRP 99 107.658 -3.564 3.638 5 HD1 TRP 99 HD1 TRP 99 107.768 -7.314 3.810 6 HE1 TRP 99 HE1 TRP 99 110.181 -8.129 3.693 7 HE3 TRP 99 HE3 TRP 99 110.015 -2.960 2.427 8 HZ2 TRP 99 HZ2 TRP 99 112.779 -7.043 3.107 9 HZ3 TRP 99 HZ3 TRP 99 112.474 -2.873 2.113 10 HH2 TRP 99 HH2 TRP 99 113.859 -4.904 2.451 No H/Q in entry = 10 In of MODEL 9 1 H GLU 100 H GLU 100 106.209 -3.160 5.311 2 HA GLU 100 HA GLU 100 103.927 -1.708 4.148 3 HB2 GLU 100 HB2 GLU 100 104.573 -2.158 7.060 4 HB3 GLU 100 HB3 GLU 100 103.658 -0.749 6.543 5 HG2 GLU 100 HG2 GLU 100 101.973 -2.161 5.536 6 HG3 GLU 100 HG3 GLU 100 102.895 -3.601 5.909 No H/Q in entry = 6 In of MODEL 9 1 H ILE 101 H ILE 101 104.487 0.395 3.627 2 HA ILE 101 HA ILE 101 106.978 1.389 4.766 3 HB ILE 101 HB ILE 101 107.910 1.999 2.758 4 HD11 ILE 101 HD11 ILE 101 107.965 2.683 0.517 5 HD12 ILE 101 HD12 ILE 101 107.265 1.158 -0.010 6 HD13 ILE 101 HD13 ILE 101 106.532 2.670 -0.487 No H/Q in entry = 6 In of MODEL 9 1 H TYR 102 H TYR 102 107.093 3.408 5.304 2 HA TYR 102 HA TYR 102 104.588 4.969 5.181 3 HB2 TYR 102 HB2 TYR 102 106.896 5.201 7.128 4 HB3 TYR 102 HB3 TYR 102 105.355 6.006 7.250 5 HD1 TYR 102 HD1 TYR 102 106.382 2.405 6.641 6 HD2 TYR 102 HD2 TYR 102 104.058 5.112 9.008 7 HE1 TYR 102 HE1 TYR 102 105.446 0.512 7.840 8 HE2 TYR 102 HE2 TYR 102 103.120 3.196 10.253 9 HH TYR 102 HH TYR 102 104.137 0.579 10.660 No H/Q in entry = 9 In of MODEL 9 1 H VAL 103 H VAL 103 104.815 6.139 3.428 2 HA VAL 103 HA VAL 103 107.333 7.129 2.564 3 HB VAL 103 HB VAL 103 104.707 7.611 1.270 No H/Q in entry = 3 In of MODEL 9 1 HA PRO 104 HA PRO 104 106.855 11.223 4.447 2 HB2 PRO 104 HB2 PRO 104 108.994 11.772 2.425 3 HB3 PRO 104 HB3 PRO 104 108.964 12.168 4.154 4 HG2 PRO 104 HG2 PRO 104 110.454 10.155 3.172 5 HG3 PRO 104 HG3 PRO 104 109.735 10.086 4.773 6 HD2 PRO 104 HD2 PRO 104 108.982 8.627 2.326 7 HD3 PRO 104 HD3 PRO 104 108.695 8.207 4.029 No H/Q in entry = 7 In of MODEL 9 1 H SER 105 H SER 105 105.741 13.042 3.676 2 HA SER 105 HA SER 105 104.125 12.821 1.478 3 HB2 SER 105 HB2 SER 105 103.566 15.114 1.763 4 HB3 SER 105 HB3 SER 105 103.964 14.508 3.367 5 HG SER 105 HG SER 105 105.186 16.273 3.247 No H/Q in entry = 5 In of MODEL 9 1 H GLY 106 H GLY 106 107.386 14.168 1.614 2 HA2 GLY 106 HA2 GLY 106 108.821 14.857 -0.061 3 HA3 GLY 106 HA3 GLY 106 107.399 15.279 -1.006 No H/Q in entry = 3 In of MODEL 9 1 H LEU 107 H LEU 107 108.019 12.079 0.278 2 HA LEU 107 HA LEU 107 108.892 11.104 -2.368 3 HB2 LEU 107 HB2 LEU 107 108.793 9.656 0.291 4 HB3 LEU 107 HB3 LEU 107 109.513 9.038 -1.176 5 HG LEU 107 HG LEU 107 110.447 11.404 0.452 6 HD11 LEU 107 HD11 LEU 107 111.091 9.120 1.234 7 HD12 LEU 107 HD12 LEU 107 111.865 8.855 -0.321 8 HD13 LEU 107 HD13 LEU 107 112.471 10.107 0.755 9 HD21 LEU 107 HD21 LEU 107 111.180 10.525 -2.322 10 HD22 LEU 107 HD22 LEU 107 110.840 12.149 -1.737 11 HD23 LEU 107 HD23 LEU 107 112.357 11.362 -1.314 No H/Q in entry = 11 In of MODEL 9 1 H ALA 108 H ALA 108 106.014 11.611 -0.901 2 HA ALA 108 HA ALA 108 104.805 9.119 -1.888 3 HB1 ALA 108 HB1 ALA 108 103.533 11.167 -0.064 4 HB2 ALA 108 HB2 ALA 108 102.941 9.560 -0.462 5 HB3 ALA 108 HB3 ALA 108 104.378 9.758 0.510 No H/Q in entry = 5 In of MODEL 9 1 H TYR 109 H TYR 109 102.756 11.829 -1.345 2 HA TYR 109 HA TYR 109 102.367 12.004 -4.240 3 HB2 TYR 109 HB2 TYR 109 100.533 12.235 -1.897 4 HB3 TYR 109 HB3 TYR 109 100.100 12.991 -3.428 5 HD1 TYR 109 HD1 TYR 109 100.285 9.886 -1.653 6 HD2 TYR 109 HD2 TYR 109 100.321 11.603 -5.565 7 HE1 TYR 109 HE1 TYR 109 99.809 7.697 -2.598 8 HE2 TYR 109 HE2 TYR 109 99.870 9.402 -6.549 9 HH TYR 109 HH TYR 109 99.269 6.571 -4.451 No H/Q in entry = 9 In of MODEL 9 1 H GLY 110 H GLY 110 104.059 13.705 -2.092 2 HA2 GLY 110 HA2 GLY 110 103.597 16.197 -3.617 3 HA3 GLY 110 HA3 GLY 110 105.095 15.742 -2.835 No H/Q in entry = 3 In of MODEL 9 1 HA PRO 111 HA PRO 111 104.062 18.149 0.673 2 HB2 PRO 111 HB2 PRO 111 104.796 20.645 -0.034 3 HB3 PRO 111 HB3 PRO 111 105.972 19.337 0.171 4 HG2 PRO 111 HG2 PRO 111 104.771 20.381 -2.352 5 HG3 PRO 111 HG3 PRO 111 106.465 20.001 -1.991 6 HD2 PRO 111 HD2 PRO 111 104.841 18.284 -3.341 7 HD3 PRO 111 HD3 PRO 111 106.139 17.718 -2.280 No H/Q in entry = 7 In of MODEL 9 1 H ARG 112 H ARG 112 102.485 18.882 -2.304 2 HA ARG 112 HA ARG 112 100.514 20.672 -1.029 3 HB2 ARG 112 HB2 ARG 112 100.789 19.827 -3.922 4 HB3 ARG 112 HB3 ARG 112 99.719 21.079 -3.296 5 HG2 ARG 112 HG2 ARG 112 101.719 22.334 -2.489 6 HG3 ARG 112 HG3 ARG 112 102.747 21.107 -3.231 7 HD2 ARG 112 HD2 ARG 112 101.564 21.580 -5.418 8 HD3 ARG 112 HD3 ARG 112 100.808 22.959 -4.628 9 HE ARG 112 HE ARG 112 103.507 22.807 -5.583 10 HH11 ARG 112 HH11 ARG 112 101.454 24.161 -3.139 11 HH12 ARG 112 HH12 ARG 112 102.425 25.577 -2.924 12 HH21 ARG 112 HH21 ARG 112 104.763 24.659 -5.314 13 HH22 ARG 112 HH22 ARG 112 104.301 25.865 -4.160 No H/Q in entry = 13 In of MODEL 9 1 H SER 113 H SER 113 98.190 20.249 -1.703 2 HA SER 113 HA SER 113 97.470 17.567 -0.967 3 HB2 SER 113 HB2 SER 113 95.642 19.696 -2.062 4 HB3 SER 113 HB3 SER 113 95.246 18.361 -0.985 5 HG SER 113 HG SER 113 97.156 20.322 -0.309 No H/Q in entry = 5 In of MODEL 9 1 H VAL 114 H VAL 114 98.418 16.347 -2.710 2 HA VAL 114 HA VAL 114 97.284 16.790 -5.405 3 HB VAL 114 HB VAL 114 99.366 14.759 -4.636 No H/Q in entry = 3 In of MODEL 9 1 H GLY 115 H GLY 115 95.219 15.983 -4.015 2 HA2 GLY 115 HA2 GLY 115 94.994 13.153 -3.656 3 HA3 GLY 115 HA3 GLY 115 94.315 13.659 -5.196 No H/Q in entry = 3 In of MODEL 9 1 H GLY 116 H GLY 116 92.504 12.548 -3.759 2 HA2 GLY 116 HA2 GLY 116 90.422 12.787 -2.797 3 HA3 GLY 116 HA3 GLY 116 90.514 14.462 -3.291 No H/Q in entry = 3 In of MODEL 9 1 HA PRO 117 HA PRO 117 90.342 14.439 1.345 2 HB2 PRO 117 HB2 PRO 117 91.128 12.233 2.764 3 HB3 PRO 117 HB3 PRO 117 89.491 12.468 2.146 4 HG2 PRO 117 HG2 PRO 117 91.723 10.912 0.974 5 HG3 PRO 117 HG3 PRO 117 90.024 10.488 1.090 6 HD2 PRO 117 HD2 PRO 117 91.067 11.359 -1.210 7 HD3 PRO 117 HD3 PRO 117 89.429 11.830 -0.711 No H/Q in entry = 7 In of MODEL 9 1 H ILE 118 H ILE 118 93.088 13.238 -0.238 2 HA ILE 118 HA ILE 118 95.022 13.693 1.808 3 HB ILE 118 HB ILE 118 95.477 13.894 -1.179 4 HD11 ILE 118 HD11 ILE 118 93.898 12.403 -1.752 5 HD12 ILE 118 HD12 ILE 118 94.472 10.745 -1.834 6 HD13 ILE 118 HD13 ILE 118 93.418 11.248 -0.522 No H/Q in entry = 6 In of MODEL 9 1 H GLY 119 H GLY 119 95.243 15.633 2.707 2 HA2 GLY 119 HA2 GLY 119 94.983 17.923 2.965 3 HA3 GLY 119 HA3 GLY 119 94.673 18.090 1.251 No H/Q in entry = 3 In of MODEL 9 1 HA PRO 120 HA PRO 120 98.772 19.642 0.892 2 HB2 PRO 120 HB2 PRO 120 99.240 21.547 2.806 3 HB3 PRO 120 HB3 PRO 120 98.234 21.830 1.385 4 HG2 PRO 120 HG2 PRO 120 97.398 21.106 4.150 5 HG3 PRO 120 HG3 PRO 120 96.710 22.299 3.056 6 HD2 PRO 120 HD2 PRO 120 95.583 19.893 3.439 7 HD3 PRO 120 HD3 PRO 120 95.549 20.677 1.848 No H/Q in entry = 7 In of MODEL 9 1 H ASN 121 H ASN 121 100.890 19.225 1.433 2 HA ASN 121 HA ASN 121 102.576 18.027 2.422 3 HB2 ASN 121 HB2 ASN 121 102.292 20.249 3.760 4 HB3 ASN 121 HB3 ASN 121 101.671 19.204 5.035 5 HD21 ASN 121 HD21 ASN 121 103.254 17.052 5.173 6 HD22 ASN 121 HD22 ASN 121 104.896 17.460 5.311 No H/Q in entry = 6 In of MODEL 9 1 H GLU 122 H GLU 122 100.544 16.286 2.081 2 HA GLU 122 HA GLU 122 100.024 14.940 4.639 3 HB2 GLU 122 HB2 GLU 122 99.023 14.607 1.827 4 HB3 GLU 122 HB3 GLU 122 98.794 13.327 3.013 5 HG2 GLU 122 HG2 GLU 122 97.902 16.181 3.424 6 HG3 GLU 122 HG3 GLU 122 96.875 14.882 2.829 No H/Q in entry = 6 In of MODEL 9 1 H THR 123 H THR 123 101.010 13.195 5.323 2 HA THR 123 HA THR 123 103.036 11.897 3.598 3 HB THR 123 HB THR 123 102.507 11.650 6.572 4 HG1 THR 123 HG1 THR 123 104.900 12.565 5.567 5 HG21 THR 123 HG21 THR 123 103.381 9.572 5.486 6 HG22 THR 123 HG22 THR 123 104.734 10.512 4.903 7 HG23 THR 123 HG23 THR 123 104.505 10.280 6.629 No H/Q in entry = 7 In of MODEL 9 1 H LEU 124 H LEU 124 102.517 9.990 2.690 2 HA LEU 124 HA LEU 124 100.067 8.603 3.659 3 HB2 LEU 124 HB2 LEU 124 101.294 8.596 0.892 4 HB3 LEU 124 HB3 LEU 124 99.877 7.684 1.371 5 HG LEU 124 HG LEU 124 98.943 9.565 0.318 6 HD11 LEU 124 HD11 LEU 124 98.101 9.284 2.687 7 HD12 LEU 124 HD12 LEU 124 99.138 10.647 3.089 8 HD13 LEU 124 HD13 LEU 124 97.838 10.860 1.940 9 HD21 LEU 124 HD21 LEU 124 101.144 10.763 0.150 10 HD22 LEU 124 HD22 LEU 124 99.746 11.789 0.404 11 HD23 LEU 124 HD23 LEU 124 100.816 11.413 1.738 No H/Q in entry = 11 In of MODEL 9 1 H ILE 125 H ILE 125 100.078 6.470 3.984 2 HA ILE 125 HA ILE 125 102.649 5.012 3.806 3 HB ILE 125 HB ILE 125 102.193 5.239 6.136 4 HD11 ILE 125 HD11 ILE 125 101.879 3.703 7.851 5 HD12 ILE 125 HD12 ILE 125 100.629 2.509 7.570 6 HD13 ILE 125 HD13 ILE 125 102.318 2.055 7.464 No H/Q in entry = 6 In of MODEL 9 1 H PHE 126 H PHE 126 102.531 2.909 3.045 2 HA PHE 126 HA PHE 126 99.877 1.927 2.289 3 HB2 PHE 126 HB2 PHE 126 102.159 1.593 0.376 4 HB3 PHE 126 HB3 PHE 126 100.418 1.476 0.080 5 HD1 PHE 126 HD1 PHE 126 99.283 3.322 -0.833 6 HD2 PHE 126 HD2 PHE 126 103.042 3.896 1.154 7 HE1 PHE 126 HE1 PHE 126 99.294 5.705 -1.529 8 HE2 PHE 126 HE2 PHE 126 103.043 6.270 0.462 9 HZ PHE 126 HZ PHE 126 101.182 7.169 -0.880 No H/Q in entry = 9 In of MODEL 9 1 H LYS 127 H LYS 127 99.709 -0.333 2.049 2 HA LYS 127 HA LYS 127 101.865 -1.828 3.347 3 HB2 LYS 127 HB2 LYS 127 99.412 -3.343 2.807 4 HB3 LYS 127 HB3 LYS 127 100.258 -3.111 4.319 5 HG2 LYS 127 HG2 LYS 127 98.374 -1.105 3.110 6 HG3 LYS 127 HG3 LYS 127 97.938 -2.270 4.351 7 HD2 LYS 127 HD2 LYS 127 99.795 -1.285 5.792 8 HD3 LYS 127 HD3 LYS 127 99.924 0.006 4.610 9 HE2 LYS 127 HE2 LYS 127 97.718 0.773 5.027 10 HE3 LYS 127 HE3 LYS 127 97.291 -0.694 5.906 11 HZ1 LYS 127 HZ1 LYS 127 99.385 0.145 7.313 12 HZ2 LYS 127 HZ2 LYS 127 98.763 1.642 6.803 13 HZ3 LYS 127 HZ3 LYS 127 97.784 0.563 7.679 No H/Q in entry = 13 In of MODEL 9 1 H ILE 128 H ILE 128 103.163 -3.003 2.031 2 HA ILE 128 HA ILE 128 102.054 -3.525 -0.691 3 HB ILE 128 HB ILE 128 105.007 -3.263 -0.186 4 HD11 ILE 128 HD11 ILE 128 105.147 -0.722 -1.886 5 HD12 ILE 128 HD12 ILE 128 104.829 0.510 -0.674 6 HD13 ILE 128 HD13 ILE 128 105.981 -0.772 -0.332 No H/Q in entry = 6 In of MODEL 9 1 H HIS 129 H HIS 129 101.687 -5.453 -1.167 2 HA HIS 129 HA HIS 129 103.225 -7.672 0.045 3 HB2 HIS 129 HB2 HIS 129 100.868 -7.805 0.593 4 HB3 HIS 129 HB3 HIS 129 100.430 -7.574 -1.099 5 HD2 HIS 129 HD2 HIS 129 103.256 -10.147 0.003 6 HE1 HIS 129 HE1 HIS 129 100.056 -12.240 -1.806 7 HE2 HIS 129 HE2 HIS 129 102.421 -12.454 -0.938 No H/Q in entry = 7 In of MODEL 9 1 H LEU 130 H LEU 130 104.629 -8.664 -1.315 2 HA LEU 130 HA LEU 130 104.362 -8.099 -4.167 3 HB2 LEU 130 HB2 LEU 130 106.541 -8.205 -2.468 4 HB3 LEU 130 HB3 LEU 130 106.645 -9.700 -3.349 5 HG LEU 130 HG LEU 130 106.377 -6.995 -4.614 6 HD11 LEU 130 HD11 LEU 130 108.597 -7.567 -3.497 7 HD12 LEU 130 HD12 LEU 130 108.761 -8.828 -4.701 8 HD13 LEU 130 HD13 LEU 130 108.697 -7.153 -5.210 9 HD21 LEU 130 HD21 LEU 130 105.363 -8.794 -5.994 10 HD22 LEU 130 HD22 LEU 130 106.822 -8.183 -6.713 11 HD23 LEU 130 HD23 LEU 130 106.869 -9.707 -5.864 No H/Q in entry = 11 In of MODEL 9 1 H ILE 131 H ILE 131 103.180 -9.425 -5.370 2 HA ILE 131 HA ILE 131 103.033 -12.273 -4.702 3 HB ILE 131 HB ILE 131 101.450 -10.537 -6.613 4 HD11 ILE 131 HD11 ILE 131 100.359 -9.053 -5.180 5 HD12 ILE 131 HD12 ILE 131 99.834 -9.514 -3.568 6 HD13 ILE 131 HD13 ILE 131 101.542 -9.348 -3.909 No H/Q in entry = 6 In of MODEL 9 1 H SER 132 H SER 132 103.886 -10.162 -7.473 2 HA SER 132 HA SER 132 105.718 -12.238 -8.425 3 HB2 SER 132 HB2 SER 132 104.709 -12.664 -10.473 4 HB3 SER 132 HB3 SER 132 103.287 -12.470 -9.450 5 HG SER 132 HG SER 132 102.814 -10.996 -10.888 No H/Q in entry = 5 In of MODEL 9 1 H VAL 133 H VAL 133 107.189 -11.466 -10.078 2 HA VAL 133 HA VAL 133 107.419 -8.510 -10.205 3 HB VAL 133 HB VAL 133 109.625 -10.539 -9.756 No H/Q in entry = 3 In of MODEL 9 1 H LYS 134 H LYS 134 108.057 -7.654 -12.141 2 HA LYS 134 HA LYS 134 108.174 -9.447 -14.447 3 HB2 LYS 134 HB2 LYS 134 106.740 -7.236 -14.080 4 HB3 LYS 134 HB3 LYS 134 108.228 -6.497 -14.647 5 HG2 LYS 134 HG2 LYS 134 107.237 -6.843 -16.706 6 HG3 LYS 134 HG3 LYS 134 108.016 -8.416 -16.537 7 HD2 LYS 134 HD2 LYS 134 105.926 -9.258 -15.457 8 HD3 LYS 134 HD3 LYS 134 105.155 -7.722 -15.841 9 HE2 LYS 134 HE2 LYS 134 105.914 -8.177 -18.278 10 HE3 LYS 134 HE3 LYS 134 106.153 -9.841 -17.741 11 HZ1 LYS 134 HZ1 LYS 134 103.699 -9.087 -16.752 12 HZ2 LYS 134 HZ2 LYS 134 103.732 -8.492 -18.340 13 HZ3 LYS 134 HZ3 LYS 134 103.993 -10.146 -18.048 No H/Q in entry = 13 In of MODEL 9 1 H LYS 135 H LYS 135 109.396 -7.441 -16.046 2 HA LYS 135 HA LYS 135 111.893 -6.572 -15.200 3 HB2 LYS 135 HB2 LYS 135 111.931 -9.318 -15.594 4 HB3 LYS 135 HB3 LYS 135 112.643 -8.689 -17.070 5 HG2 LYS 135 HG2 LYS 135 113.497 -7.779 -14.319 6 HG3 LYS 135 HG3 LYS 135 114.238 -9.137 -15.161 7 HD2 LYS 135 HD2 LYS 135 113.998 -6.624 -16.746 8 HD3 LYS 135 HD3 LYS 135 115.118 -6.552 -15.387 9 HE2 LYS 135 HE2 LYS 135 115.165 -8.778 -17.416 10 HE3 LYS 135 HE3 LYS 135 116.112 -7.306 -17.603 11 HZ1 LYS 135 HZ1 LYS 135 116.409 -8.379 -14.994 12 HZ2 LYS 135 HZ2 LYS 135 116.805 -9.545 -16.160 13 HZ3 LYS 135 HZ3 LYS 135 117.600 -8.042 -16.158 No H/Q in entry = 13 In of MODEL 9 1 H SER 136 H SER 136 112.477 -5.033 -16.358 2 HA SER 136 HA SER 136 111.011 -4.295 -18.694 3 HB2 SER 136 HB2 SER 136 111.732 -2.483 -17.400 4 HB3 SER 136 HB3 SER 136 113.361 -3.133 -17.213 5 HG SER 136 HG SER 136 113.568 -1.626 -18.776 No H/Q in entry = 5 In of MODEL 9 1 H SER 137 H SER 137 114.380 -5.326 -18.202 2 HA SER 137 HA SER 137 114.679 -5.645 -21.137 3 HB2 SER 137 HB2 SER 137 117.147 -5.760 -20.539 4 HB3 SER 137 HB3 SER 137 116.372 -4.201 -20.280 5 HG SER 137 HG SER 137 116.190 -4.716 -18.089 No H/Q in entry = 5 In of MODEL 10 1 H1 PHE 1 H1 PHE 1 94.390 25.490 4.148 2 H2 PHE 1 H2 PHE 1 93.937 27.116 4.336 3 H3 PHE 1 H3 PHE 1 93.510 26.276 2.926 4 HA PHE 1 HA PHE 1 95.553 26.438 2.005 5 HB2 PHE 1 HB2 PHE 1 95.440 28.745 3.973 6 HB3 PHE 1 HB3 PHE 1 96.526 28.672 2.585 7 HD1 PHE 1 HD1 PHE 1 95.583 28.521 0.268 8 HD2 PHE 1 HD2 PHE 1 93.124 29.309 3.699 9 HE1 PHE 1 HE1 PHE 1 93.780 29.352 -1.216 10 HE2 PHE 1 HE2 PHE 1 91.319 30.139 2.213 11 HZ PHE 1 HZ PHE 1 91.649 30.161 -0.245 No H/Q in entry = 11 In of MODEL 10 1 H ASN 2 H ASN 2 97.651 28.017 3.800 2 HA ASN 2 HA ASN 2 99.238 25.746 4.349 3 HB2 ASN 2 HB2 ASN 2 99.519 28.603 5.228 4 HB3 ASN 2 HB3 ASN 2 100.690 27.351 5.622 5 HD21 ASN 2 HD21 ASN 2 101.211 25.952 3.445 6 HD22 ASN 2 HD22 ASN 2 101.608 26.914 2.105 No H/Q in entry = 6 In of MODEL 10 1 H LYS 3 H LYS 3 96.916 27.517 6.232 2 HA LYS 3 HA LYS 3 97.705 26.841 8.819 3 HB2 LYS 3 HB2 LYS 3 95.276 27.050 9.407 4 HB3 LYS 3 HB3 LYS 3 95.893 28.406 8.465 5 HG2 LYS 3 HG2 LYS 3 94.831 27.668 6.481 6 HG3 LYS 3 HG3 LYS 3 94.569 26.058 7.114 7 HD2 LYS 3 HD2 LYS 3 93.038 27.109 8.850 8 HD3 LYS 3 HD3 LYS 3 93.127 28.587 7.885 9 HE2 LYS 3 HE2 LYS 3 92.378 27.283 5.908 10 HE3 LYS 3 HE3 LYS 3 92.243 25.855 6.946 11 HZ1 LYS 3 HZ1 LYS 3 90.866 28.246 7.872 12 HZ2 LYS 3 HZ2 LYS 3 90.223 27.527 6.478 13 HZ3 LYS 3 HZ3 LYS 3 90.372 26.621 7.908 No H/Q in entry = 13 In of MODEL 10 1 H LYS 4 H LYS 4 95.845 24.992 6.444 2 HA LYS 4 HA LYS 4 95.311 22.813 8.195 3 HB2 LYS 4 HB2 LYS 4 94.161 23.578 5.950 4 HB3 LYS 4 HB3 LYS 4 95.332 22.494 5.214 5 HG2 LYS 4 HG2 LYS 4 93.410 21.726 7.425 6 HG3 LYS 4 HG3 LYS 4 93.153 21.400 5.720 7 HD2 LYS 4 HD2 LYS 4 95.408 20.147 5.782 8 HD3 LYS 4 HD3 LYS 4 95.258 20.247 7.537 9 HE2 LYS 4 HE2 LYS 4 93.172 19.053 7.532 10 HE3 LYS 4 HE3 LYS 4 93.088 19.095 5.773 11 HZ1 LYS 4 HZ1 LYS 4 95.256 17.757 7.292 12 HZ2 LYS 4 HZ2 LYS 4 93.873 16.961 6.708 13 HZ3 LYS 4 HZ3 LYS 4 94.964 17.669 5.619 No H/Q in entry = 13 In of MODEL 10 1 H ALA 5 H ALA 5 97.705 23.598 5.758 2 HA ALA 5 HA ALA 5 99.066 21.229 5.397 3 HB1 ALA 5 HB1 ALA 5 100.839 22.560 4.595 4 HB2 ALA 5 HB2 ALA 5 100.444 23.882 5.675 5 HB3 ALA 5 HB3 ALA 5 99.400 23.524 4.309 No H/Q in entry = 5 In of MODEL 10 1 H ASP 6 H ASP 6 99.169 23.468 8.049 2 HA ASP 6 HA ASP 6 101.461 22.486 9.349 3 HB2 ASP 6 HB2 ASP 6 99.000 23.837 10.336 4 HB3 ASP 6 HB3 ASP 6 100.343 23.417 11.389 No H/Q in entry = 4 In of MODEL 10 1 H GLU 7 H GLU 7 98.017 21.581 9.609 2 HA GLU 7 HA GLU 7 98.292 19.719 11.688 3 HB2 GLU 7 HB2 GLU 7 96.382 19.375 9.428 4 HB3 GLU 7 HB3 GLU 7 96.149 18.948 11.120 5 HG2 GLU 7 HG2 GLU 7 96.290 21.388 11.666 6 HG3 GLU 7 HG3 GLU 7 96.293 21.716 9.940 No H/Q in entry = 6 In of MODEL 10 1 H ASN 8 H ASN 8 98.235 19.223 8.239 2 HA ASN 8 HA ASN 8 98.722 16.455 8.213 3 HB2 ASN 8 HB2 ASN 8 99.667 18.480 6.196 4 HB3 ASN 8 HB3 ASN 8 99.265 16.800 5.889 5 HD21 ASN 8 HD21 ASN 8 97.806 18.124 4.255 6 HD22 ASN 8 HD22 ASN 8 96.260 18.512 4.820 No H/Q in entry = 6 In of MODEL 10 1 H LYS 9 H LYS 9 100.751 19.262 8.326 2 HA LYS 9 HA LYS 9 103.270 17.973 8.024 3 HB2 LYS 9 HB2 LYS 9 103.411 20.246 7.635 4 HB3 LYS 9 HB3 LYS 9 102.267 20.619 8.885 5 HG2 LYS 9 HG2 LYS 9 103.874 20.353 10.616 6 HG3 LYS 9 HG3 LYS 9 105.017 19.632 9.514 7 HD2 LYS 9 HD2 LYS 9 104.694 22.423 10.243 8 HD3 LYS 9 HD3 LYS 9 105.987 21.684 9.317 9 HE2 LYS 9 HE2 LYS 9 103.339 22.509 8.101 10 HE3 LYS 9 HE3 LYS 9 104.745 23.552 8.171 11 HZ1 LYS 9 HZ1 LYS 9 105.302 20.917 7.152 12 HZ2 LYS 9 HZ2 LYS 9 104.249 21.824 6.177 13 HZ3 LYS 9 HZ3 LYS 9 105.784 22.434 6.571 No H/Q in entry = 13 In of MODEL 10 1 H VAL 10 H VAL 10 101.580 19.183 10.951 2 HA VAL 10 HA VAL 10 103.606 18.226 12.678 3 HB VAL 10 HB VAL 10 100.761 18.998 13.260 No H/Q in entry = 3 In of MODEL 10 1 H LYS 11 H LYS 11 100.422 16.904 11.877 2 HA LYS 11 HA LYS 11 100.675 14.619 13.502 3 HB2 LYS 11 HB2 LYS 11 99.016 15.267 11.103 4 HB3 LYS 11 HB3 LYS 11 98.963 13.686 11.849 5 HG2 LYS 11 HG2 LYS 11 97.213 14.789 12.956 6 HG3 LYS 11 HG3 LYS 11 98.546 15.013 14.080 7 HD2 LYS 11 HD2 LYS 11 98.995 17.231 12.911 8 HD3 LYS 11 HD3 LYS 11 97.456 17.006 12.084 9 HE2 LYS 11 HE2 LYS 11 97.994 17.449 15.007 10 HE3 LYS 11 HE3 LYS 11 96.848 18.276 13.952 11 HZ1 LYS 11 HZ1 LYS 11 95.725 16.024 13.753 12 HZ2 LYS 11 HZ2 LYS 11 96.644 15.562 15.105 13 HZ3 LYS 11 HZ3 LYS 11 95.542 16.849 15.225 No H/Q in entry = 13 In of MODEL 10 1 H GLY 12 H GLY 12 101.636 15.472 10.291 2 HA2 GLY 12 HA2 GLY 12 102.847 14.341 8.666 3 HA3 GLY 12 HA3 GLY 12 102.516 12.845 9.518 No H/Q in entry = 3 In of MODEL 10 1 H GLU 13 H GLU 13 104.189 15.775 10.696 2 HA GLU 13 HA GLU 13 106.802 14.716 10.447 3 HB2 GLU 13 HB2 GLU 13 105.626 16.878 12.196 4 HB3 GLU 13 HB3 GLU 13 107.314 16.395 12.356 5 HG2 GLU 13 HG2 GLU 13 107.749 16.932 10.043 6 HG3 GLU 13 HG3 GLU 13 106.051 17.276 9.756 No H/Q in entry = 6 In of MODEL 10 1 H ALA 14 H ALA 14 104.287 14.364 12.801 2 HA ALA 14 HA ALA 14 105.909 13.103 14.787 3 HB1 ALA 14 HB1 ALA 14 103.870 14.367 15.373 4 HB2 ALA 14 HB2 ALA 14 102.903 13.185 14.491 5 HB3 ALA 14 HB3 ALA 14 103.791 12.699 15.935 No H/Q in entry = 5 In of MODEL 10 1 H PHE 15 H PHE 15 103.893 12.202 12.131 2 HA PHE 15 HA PHE 15 103.498 9.467 12.665 3 HB2 PHE 15 HB2 PHE 15 102.309 10.929 11.018 4 HB3 PHE 15 HB3 PHE 15 103.732 10.874 10.002 5 HD1 PHE 15 HD1 PHE 15 104.250 8.979 8.699 6 HD2 PHE 15 HD2 PHE 15 101.003 8.878 11.495 7 HE1 PHE 15 HE1 PHE 15 103.378 6.928 7.621 8 HE2 PHE 15 HE2 PHE 15 100.151 6.800 10.443 9 HZ PHE 15 HZ PHE 15 101.342 5.838 8.497 No H/Q in entry = 9 In of MODEL 10 1 H LEU 16 H LEU 16 105.966 11.115 10.703 2 HA LEU 16 HA LEU 16 107.366 8.670 10.141 3 HB2 LEU 16 HB2 LEU 16 108.242 11.557 9.953 4 HB3 LEU 16 HB3 LEU 16 109.268 10.208 9.508 5 HG LEU 16 HG LEU 16 107.157 9.517 8.019 6 HD11 LEU 16 HD11 LEU 16 106.791 12.474 8.525 7 HD12 LEU 16 HD12 LEU 16 106.287 11.754 7.001 8 HD13 LEU 16 HD13 LEU 16 105.574 11.200 8.516 9 HD21 LEU 16 HD21 LEU 16 109.299 11.552 7.435 10 HD22 LEU 16 HD22 LEU 16 109.257 9.841 7.039 11 HD23 LEU 16 HD23 LEU 16 108.210 10.962 6.185 No H/Q in entry = 11 In of MODEL 10 1 H THR 17 H THR 17 107.675 11.217 12.532 2 HA THR 17 HA THR 17 110.087 10.334 13.679 3 HB THR 17 HB THR 17 107.841 11.638 15.205 4 HG1 THR 17 HG1 THR 17 109.073 13.569 14.559 5 HG21 THR 17 HG21 THR 17 110.844 11.613 15.503 6 HG22 THR 17 HG22 THR 17 109.735 12.590 16.465 7 HG23 THR 17 HG23 THR 17 109.667 10.836 16.564 No H/Q in entry = 7 In of MODEL 10 1 H GLU 18 H GLU 18 106.732 9.515 14.295 2 HA GLU 18 HA GLU 18 107.314 7.765 16.435 3 HB2 GLU 18 HB2 GLU 18 105.168 8.918 16.291 4 HB3 GLU 18 HB3 GLU 18 104.821 8.063 14.793 5 HG2 GLU 18 HG2 GLU 18 104.837 5.922 15.954 6 HG3 GLU 18 HG3 GLU 18 105.324 6.705 17.456 No H/Q in entry = 6 In of MODEL 10 1 H ASN 19 H ASN 19 106.423 7.287 13.024 2 HA ASN 19 HA ASN 19 106.310 4.491 13.098 3 HB2 ASN 19 HB2 ASN 19 105.493 5.821 11.207 4 HB3 ASN 19 HB3 ASN 19 107.155 6.212 10.780 5 HD21 ASN 19 HD21 ASN 19 107.706 4.955 9.032 6 HD22 ASN 19 HD22 ASN 19 107.370 3.303 8.870 No H/Q in entry = 6 In of MODEL 10 1 H LYS 20 H LYS 20 109.109 6.545 12.335 2 HA LYS 20 HA LYS 20 110.813 4.410 11.661 3 HB2 LYS 20 HB2 LYS 20 112.670 5.931 12.098 4 HB3 LYS 20 HB3 LYS 20 111.397 6.773 11.221 5 HG2 LYS 20 HG2 LYS 20 110.531 7.521 13.515 6 HG3 LYS 20 HG3 LYS 20 112.051 6.915 14.164 7 HD2 LYS 20 HD2 LYS 20 111.856 8.993 11.966 8 HD3 LYS 20 HD3 LYS 20 112.127 9.361 13.671 9 HE2 LYS 20 HE2 LYS 20 114.135 7.758 13.519 10 HE3 LYS 20 HE3 LYS 20 113.938 7.912 11.776 11 HZ1 LYS 20 HZ1 LYS 20 113.865 10.434 12.352 12 HZ2 LYS 20 HZ2 LYS 20 114.725 9.937 13.730 13 HZ3 LYS 20 HZ3 LYS 20 115.349 9.632 12.179 No H/Q in entry = 13 In of MODEL 10 1 H ASN 21 H ASN 21 109.722 5.685 14.698 2 HA ASN 21 HA ASN 21 111.656 4.277 16.317 3 HB2 ASN 21 HB2 ASN 21 109.204 5.906 16.907 4 HB3 ASN 21 HB3 ASN 21 110.026 5.008 18.173 5 HD21 ASN 21 HD21 ASN 21 112.283 5.960 15.838 6 HD22 ASN 21 HD22 ASN 21 112.850 7.369 16.597 No H/Q in entry = 6 In of MODEL 10 1 H LYS 22 H LYS 22 108.433 3.706 15.112 2 HA LYS 22 HA LYS 22 107.616 1.781 16.885 3 HB2 LYS 22 HB2 LYS 22 106.964 2.334 14.044 4 HB3 LYS 22 HB3 LYS 22 106.229 0.960 14.845 5 HG2 LYS 22 HG2 LYS 22 105.712 2.869 16.712 6 HG3 LYS 22 HG3 LYS 22 105.786 3.891 15.289 7 HD2 LYS 22 HD2 LYS 22 104.057 1.410 15.478 8 HD3 LYS 22 HD3 LYS 22 103.479 3.038 15.823 9 HE2 LYS 22 HE2 LYS 22 103.836 3.749 13.585 10 HE3 LYS 22 HE3 LYS 22 104.818 2.332 13.216 11 HZ1 LYS 22 HZ1 LYS 22 102.461 1.287 14.070 12 HZ2 LYS 22 HZ2 LYS 22 101.974 2.638 13.164 13 HZ3 LYS 22 HZ3 LYS 22 102.945 1.445 12.449 No H/Q in entry = 13 In of MODEL 10 1 HA PRO 23 HA PRO 23 110.195 -1.809 16.160 2 HB2 PRO 23 HB2 PRO 23 107.730 -3.457 16.499 3 HB3 PRO 23 HB3 PRO 23 109.277 -3.554 17.361 4 HG2 PRO 23 HG2 PRO 23 107.114 -2.522 18.519 5 HG3 PRO 23 HG3 PRO 23 108.732 -1.848 18.801 6 HD2 PRO 23 HD2 PRO 23 106.515 -0.766 17.090 7 HD3 PRO 23 HD3 PRO 23 107.700 0.086 18.105 No H/Q in entry = 7 In of MODEL 10 1 H GLY 24 H GLY 24 110.707 -3.287 14.553 2 HA2 GLY 24 HA2 GLY 24 108.843 -4.093 12.525 3 HA3 GLY 24 HA3 GLY 24 110.554 -4.495 12.581 No H/Q in entry = 3 In of MODEL 10 1 H VAL 25 H VAL 25 109.712 -1.163 12.850 2 HA VAL 25 HA VAL 25 109.871 -0.670 9.984 3 HB VAL 25 HB VAL 25 109.781 1.292 12.288 No H/Q in entry = 3 In of MODEL 10 1 H VAL 26 H VAL 26 111.564 0.081 8.894 2 HA VAL 26 HA VAL 26 114.074 0.742 10.351 3 HB VAL 26 HB VAL 26 113.718 -0.754 7.743 No H/Q in entry = 3 In of MODEL 10 1 H VAL 27 H VAL 27 114.681 2.807 9.981 2 HA VAL 27 HA VAL 27 113.416 4.233 7.766 3 HB VAL 27 HB VAL 27 113.140 5.267 9.955 No H/Q in entry = 3 In of MODEL 10 1 H LEU 28 H LEU 28 114.403 5.455 6.297 2 HA LEU 28 HA LEU 28 117.253 4.797 5.870 3 HB2 LEU 28 HB2 LEU 28 115.120 5.493 3.849 4 HB3 LEU 28 HB3 LEU 28 116.775 5.116 3.459 5 HG LEU 28 HG LEU 28 114.888 3.209 4.845 6 HD11 LEU 28 HD11 LEU 28 114.332 3.830 2.448 7 HD12 LEU 28 HD12 LEU 28 115.894 3.170 1.990 8 HD13 LEU 28 HD13 LEU 28 114.667 2.124 2.697 9 HD21 LEU 28 HD21 LEU 28 117.731 3.021 3.812 10 HD22 LEU 28 HD22 LEU 28 117.133 2.622 5.421 11 HD23 LEU 28 HD23 LEU 28 116.733 1.595 4.054 No H/Q in entry = 11 In of MODEL 10 1 HA PRO 29 HA PRO 29 118.383 9.026 5.884 2 HB2 PRO 29 HB2 PRO 29 119.612 8.812 3.191 3 HB3 PRO 29 HB3 PRO 29 120.361 9.282 4.728 4 HG2 PRO 29 HG2 PRO 29 120.847 6.911 3.668 5 HG3 PRO 29 HG3 PRO 29 120.616 7.080 5.421 6 HD2 PRO 29 HD2 PRO 29 118.678 6.131 3.345 7 HD3 PRO 29 HD3 PRO 29 119.028 5.433 4.938 No H/Q in entry = 7 In of MODEL 10 1 H SER 30 H SER 30 116.873 7.835 2.965 2 HA SER 30 HA SER 30 116.160 10.340 1.834 3 HB2 SER 30 HB2 SER 30 114.698 7.718 1.469 4 HB3 SER 30 HB3 SER 30 114.805 9.062 0.332 5 HG SER 30 HG SER 30 116.820 7.252 1.153 No H/Q in entry = 5 In of MODEL 10 1 H GLY 31 H GLY 31 115.096 8.600 4.512 2 HA2 GLY 31 HA2 GLY 31 112.839 10.424 4.912 3 HA3 GLY 31 HA3 GLY 31 113.597 9.417 6.139 No H/Q in entry = 3 In of MODEL 10 1 H LEU 32 H LEU 32 113.304 7.553 3.436 2 HA LEU 32 HA LEU 32 110.526 6.837 3.731 3 HB2 LEU 32 HB2 LEU 32 111.662 6.704 1.526 4 HB3 LEU 32 HB3 LEU 32 112.745 5.485 2.149 5 HG LEU 32 HG LEU 32 110.738 4.724 0.709 6 HD11 LEU 32 HD11 LEU 32 112.148 3.233 2.130 7 HD12 LEU 32 HD12 LEU 32 110.935 3.379 3.384 8 HD13 LEU 32 HD13 LEU 32 110.515 2.663 1.842 9 HD21 LEU 32 HD21 LEU 32 109.119 6.145 1.951 10 HD22 LEU 32 HD22 LEU 32 108.606 4.480 1.773 11 HD23 LEU 32 HD23 LEU 32 109.232 5.045 3.312 No H/Q in entry = 11 In of MODEL 10 1 H GLN 33 H GLN 33 109.743 5.226 4.982 2 HA GLN 33 HA GLN 33 111.669 3.511 6.443 3 HB2 GLN 33 HB2 GLN 33 109.022 4.665 7.327 4 HB3 GLN 33 HB3 GLN 33 109.964 3.513 8.243 5 HG2 GLN 33 HG2 GLN 33 110.914 5.363 9.188 6 HG3 GLN 33 HG3 GLN 33 111.824 5.428 7.713 7 HE21 GLN 33 HE21 GLN 33 111.454 7.785 9.052 8 HE22 GLN 33 HE22 GLN 33 110.393 8.747 8.153 No H/Q in entry = 8 In of MODEL 10 1 H TYR 34 H TYR 34 111.255 1.340 6.567 2 HA TYR 34 HA TYR 34 108.701 0.375 5.513 3 HB2 TYR 34 HB2 TYR 34 109.749 -1.339 4.173 4 HB3 TYR 34 HB3 TYR 34 110.270 0.247 3.629 5 HD1 TYR 34 HD1 TYR 34 111.234 -2.634 5.734 6 HD2 TYR 34 HD2 TYR 34 112.573 0.853 3.646 7 HE1 TYR 34 HE1 TYR 34 113.586 -3.332 6.105 8 HE2 TYR 34 HE2 TYR 34 114.923 0.169 4.017 9 HH TYR 34 HH TYR 34 115.808 -2.920 4.996 No H/Q in entry = 9 In of MODEL 10 1 H LYS 35 H LYS 35 107.979 -1.524 6.228 2 HA LYS 35 HA LYS 35 109.487 -2.788 8.406 3 HB2 LYS 35 HB2 LYS 35 107.752 -1.293 9.284 4 HB3 LYS 35 HB3 LYS 35 106.525 -2.170 8.412 5 HG2 LYS 35 HG2 LYS 35 108.272 -3.853 10.048 6 HG3 LYS 35 HG3 LYS 35 107.356 -2.705 10.994 7 HD2 LYS 35 HD2 LYS 35 105.285 -3.509 9.902 8 HD3 LYS 35 HD3 LYS 35 106.237 -4.698 9.019 9 HE2 LYS 35 HE2 LYS 35 105.244 -5.695 11.028 10 HE3 LYS 35 HE3 LYS 35 106.995 -5.669 11.133 11 HZ1 LYS 35 HZ1 LYS 35 105.753 -3.295 12.159 12 HZ2 LYS 35 HZ2 LYS 35 105.294 -4.697 12.997 13 HZ3 LYS 35 HZ3 LYS 35 106.939 -4.289 12.863 No H/Q in entry = 13 In of MODEL 10 1 H VAL 36 H VAL 36 109.568 -4.889 8.306 2 HA VAL 36 HA VAL 36 108.245 -6.168 6.034 3 HB VAL 36 HB VAL 36 110.565 -6.612 6.207 No H/Q in entry = 3 In of MODEL 10 1 H ILE 37 H ILE 37 106.242 -6.726 6.350 2 HA ILE 37 HA ILE 37 105.192 -7.672 8.847 3 HB ILE 37 HB ILE 37 103.959 -8.153 6.135 4 HD11 ILE 37 HD11 ILE 37 104.237 -5.787 8.888 5 HD12 ILE 37 HD12 ILE 37 104.148 -4.323 7.943 6 HD13 ILE 37 HD13 ILE 37 102.679 -5.208 8.357 No H/Q in entry = 6 In of MODEL 10 1 H ASN 38 H ASN 38 106.273 -9.097 5.847 2 HA ASN 38 HA ASN 38 106.617 -11.698 7.155 3 HB2 ASN 38 HB2 ASN 38 105.129 -11.228 4.584 4 HB3 ASN 38 HB3 ASN 38 105.616 -12.796 5.160 5 HD21 ASN 38 HD21 ASN 38 103.469 -10.048 5.895 6 HD22 ASN 38 HD22 ASN 38 102.463 -10.915 6.952 No H/Q in entry = 6 In of MODEL 10 1 H SER 39 H SER 39 108.536 -12.576 6.591 2 HA SER 39 HA SER 39 110.144 -11.239 4.547 3 HB2 SER 39 HB2 SER 39 111.995 -12.174 5.547 4 HB3 SER 39 HB3 SER 39 110.916 -12.026 6.931 5 HG SER 39 HG SER 39 111.994 -14.140 6.516 No H/Q in entry = 5 In of MODEL 10 1 H GLY 40 H GLY 40 110.446 -12.046 2.568 2 HA2 GLY 40 HA2 GLY 40 109.406 -13.506 0.880 3 HA3 GLY 40 HA3 GLY 40 109.626 -14.834 2.010 No H/Q in entry = 3 In of MODEL 10 1 H ASN 41 H ASN 41 111.930 -12.271 1.481 2 HA ASN 41 HA ASN 41 114.056 -12.233 0.622 3 HB2 ASN 41 HB2 ASN 41 113.904 -15.095 1.573 4 HB3 ASN 41 HB3 ASN 41 115.394 -14.283 1.089 5 HD21 ASN 41 HD21 ASN 41 113.115 -12.145 2.539 6 HD22 ASN 41 HD22 ASN 41 113.825 -12.090 4.083 No H/Q in entry = 6 In of MODEL 10 1 H GLY 42 H GLY 42 111.825 -12.870 -1.172 2 HA2 GLY 42 HA2 GLY 42 111.366 -13.960 -3.186 3 HA3 GLY 42 HA3 GLY 42 112.932 -14.750 -3.107 No H/Q in entry = 3 In of MODEL 10 1 H VAL 43 H VAL 43 111.954 -13.650 -5.377 2 HA VAL 43 HA VAL 43 114.041 -11.909 -6.171 3 HB VAL 43 HB VAL 43 112.948 -11.880 -8.340 No H/Q in entry = 3 In of MODEL 10 1 H LYS 44 H LYS 44 113.150 -9.983 -7.626 2 HA LYS 44 HA LYS 44 111.011 -8.435 -6.893 3 HB2 LYS 44 HB2 LYS 44 111.757 -6.811 -5.326 4 HB3 LYS 44 HB3 LYS 44 112.110 -8.352 -4.626 5 HG2 LYS 44 HG2 LYS 44 114.291 -7.046 -6.216 6 HG3 LYS 44 HG3 LYS 44 113.905 -6.379 -4.648 7 HD2 LYS 44 HD2 LYS 44 114.234 -9.351 -4.799 8 HD3 LYS 44 HD3 LYS 44 115.691 -8.373 -4.935 9 HE2 LYS 44 HE2 LYS 44 115.380 -7.434 -2.775 10 HE3 LYS 44 HE3 LYS 44 113.700 -7.939 -2.697 11 HZ1 LYS 44 HZ1 LYS 44 115.780 -9.975 -3.037 12 HZ2 LYS 44 HZ2 LYS 44 115.566 -9.282 -1.500 13 HZ3 LYS 44 HZ3 LYS 44 114.280 -10.084 -2.261 No H/Q in entry = 13 In of MODEL 10 1 HA PRO 45 HA PRO 45 112.748 -6.311 -10.307 2 HB2 PRO 45 HB2 PRO 45 111.074 -4.183 -10.475 3 HB3 PRO 45 HB3 PRO 45 110.552 -5.843 -10.769 4 HG2 PRO 45 HG2 PRO 45 110.016 -4.070 -8.467 5 HG3 PRO 45 HG3 PRO 45 109.118 -5.463 -9.066 6 HD2 PRO 45 HD2 PRO 45 110.938 -5.406 -6.861 7 HD3 PRO 45 HD3 PRO 45 110.012 -6.797 -7.498 No H/Q in entry = 7 In of MODEL 10 1 H GLY 46 H GLY 46 113.755 -4.487 -11.207 2 HA2 GLY 46 HA2 GLY 46 115.564 -2.966 -11.019 3 HA3 GLY 46 HA3 GLY 46 115.201 -2.802 -9.299 No H/Q in entry = 3 In of MODEL 10 1 H LYS 47 H LYS 47 115.488 -0.547 -10.171 2 HA LYS 47 HA LYS 47 113.186 0.921 -9.991 3 HB2 LYS 47 HB2 LYS 47 114.463 2.798 -10.822 4 HB3 LYS 47 HB3 LYS 47 115.488 1.816 -9.780 5 HG2 LYS 47 HG2 LYS 47 115.452 1.718 -12.826 6 HG3 LYS 47 HG3 LYS 47 116.707 2.454 -11.830 7 HD2 LYS 47 HD2 LYS 47 116.977 0.135 -10.741 8 HD3 LYS 47 HD3 LYS 47 116.024 -0.476 -12.084 9 HE2 LYS 47 HE2 LYS 47 118.293 -0.743 -12.610 10 HE3 LYS 47 HE3 LYS 47 117.662 0.547 -13.641 11 HZ1 LYS 47 HZ1 LYS 47 118.760 1.364 -11.074 12 HZ2 LYS 47 HZ2 LYS 47 119.890 0.784 -12.204 13 HZ3 LYS 47 HZ3 LYS 47 118.895 2.105 -12.593 No H/Q in entry = 13 In of MODEL 10 1 H SER 48 H SER 48 114.475 -0.722 -12.752 2 HA SER 48 HA SER 48 112.513 0.660 -14.498 3 HB2 SER 48 HB2 SER 48 115.114 -0.726 -15.015 4 HB3 SER 48 HB3 SER 48 113.954 -0.497 -16.324 5 HG SER 48 HG SER 48 115.670 1.241 -15.502 No H/Q in entry = 5 In of MODEL 10 1 H ASP 49 H ASP 49 112.866 -2.308 -12.872 2 HA ASP 49 HA ASP 49 111.491 -3.874 -14.957 3 HB2 ASP 49 HB2 ASP 49 112.340 -4.536 -12.169 4 HB3 ASP 49 HB3 ASP 49 111.405 -5.631 -13.147 No H/Q in entry = 4 In of MODEL 10 1 H THR 50 H THR 50 109.407 -5.020 -14.341 2 HA THR 50 HA THR 50 107.653 -3.076 -12.986 3 HB THR 50 HB THR 50 106.710 -5.264 -14.797 4 HG1 THR 50 HG1 THR 50 107.511 -4.156 -16.356 5 HG21 THR 50 HG21 THR 50 105.499 -2.722 -13.742 6 HG22 THR 50 HG22 THR 50 104.800 -3.687 -15.046 7 HG23 THR 50 HG23 THR 50 104.984 -4.397 -13.441 No H/Q in entry = 7 In of MODEL 10 1 H VAL 51 H VAL 51 106.067 -3.740 -11.566 2 HA VAL 51 HA VAL 51 106.600 -6.349 -10.280 3 HB VAL 51 HB VAL 51 107.580 -4.268 -9.177 No H/Q in entry = 3 In of MODEL 10 1 H THR 52 H THR 52 104.886 -7.125 -8.857 2 HA THR 52 HA THR 52 102.199 -6.032 -9.511 3 HB THR 52 HB THR 52 103.031 -8.936 -9.490 4 HG1 THR 52 HG1 THR 52 102.687 -7.023 -11.431 5 HG21 THR 52 HG21 THR 52 100.367 -7.576 -9.661 6 HG22 THR 52 HG22 THR 52 100.631 -9.162 -10.375 7 HG23 THR 52 HG23 THR 52 100.861 -8.941 -8.655 No H/Q in entry = 7 In of MODEL 10 1 H VAL 53 H VAL 53 101.302 -5.412 -7.576 2 HA VAL 53 HA VAL 53 101.631 -7.172 -5.229 3 HB VAL 53 HB VAL 53 102.560 -5.448 -3.861 No H/Q in entry = 3 In of MODEL 10 1 H GLU 54 H GLU 54 100.288 -6.447 -3.336 2 HA GLU 54 HA GLU 54 97.826 -4.963 -4.183 3 HB2 GLU 54 HB2 GLU 54 97.792 -6.900 -1.859 4 HB3 GLU 54 HB3 GLU 54 96.469 -6.251 -2.804 5 HG2 GLU 54 HG2 GLU 54 96.654 -7.798 -4.448 6 HG3 GLU 54 HG3 GLU 54 98.381 -7.957 -4.307 No H/Q in entry = 6 In of MODEL 10 1 H TYR 55 H TYR 55 96.950 -3.480 -2.428 2 HA TYR 55 HA TYR 55 98.610 -3.170 -0.072 3 HB2 TYR 55 HB2 TYR 55 99.325 -0.866 -0.785 4 HB3 TYR 55 HB3 TYR 55 100.019 -2.168 -1.757 5 HD1 TYR 55 HD1 TYR 55 97.514 0.553 -1.726 6 HD2 TYR 55 HD2 TYR 55 99.206 -2.633 -4.006 7 HE1 TYR 55 HE1 TYR 55 96.373 1.421 -3.744 8 HE2 TYR 55 HE2 TYR 55 98.086 -1.774 -6.027 9 HH TYR 55 HH TYR 55 96.260 1.257 -5.988 No H/Q in entry = 9 In of MODEL 10 1 H THR 56 H THR 56 98.044 -1.344 1.287 2 HA THR 56 HA THR 56 95.449 -0.105 0.751 3 HB THR 56 HB THR 56 96.203 -1.475 3.277 4 HG1 THR 56 HG1 THR 56 94.269 -1.577 1.383 5 HG21 THR 56 HG21 THR 56 94.270 0.838 3.018 6 HG22 THR 56 HG22 THR 56 94.379 -0.220 4.423 7 HG23 THR 56 HG23 THR 56 95.733 0.822 3.997 No H/Q in entry = 7 In of MODEL 10 1 H GLY 57 H GLY 57 95.465 2.047 0.849 2 HA2 GLY 57 HA2 GLY 57 97.091 3.905 0.625 3 HA3 GLY 57 HA3 GLY 57 97.900 3.275 2.046 No H/Q in entry = 3 In of MODEL 10 1 H ARG 58 H ARG 58 97.683 4.867 3.546 2 HA ARG 58 HA ARG 58 95.104 6.192 3.798 3 HB2 ARG 58 HB2 ARG 58 94.644 5.581 5.991 4 HB3 ARG 58 HB3 ARG 58 95.148 4.073 5.242 5 HG2 ARG 58 HG2 ARG 58 97.368 4.253 6.199 6 HG3 ARG 58 HG3 ARG 58 97.037 5.857 6.834 7 HD2 ARG 58 HD2 ARG 58 96.706 4.561 8.711 8 HD3 ARG 58 HD3 ARG 58 95.074 4.658 8.075 9 HE ARG 58 HE ARG 58 96.224 2.404 6.917 10 HH11 ARG 58 HH11 ARG 58 95.508 3.621 10.070 11 HH12 ARG 58 HH12 ARG 58 95.169 2.064 10.751 12 HH21 ARG 58 HH21 ARG 58 95.801 0.349 7.803 13 HH22 ARG 58 HH22 ARG 58 95.345 0.210 9.468 No H/Q in entry = 13 In of MODEL 10 1 H LEU 59 H LEU 59 95.073 7.849 5.441 2 HA LEU 59 HA LEU 59 97.409 9.546 5.213 3 HB2 LEU 59 HB2 LEU 59 94.587 9.804 5.978 4 HB3 LEU 59 HB3 LEU 59 95.630 10.835 6.919 5 HG LEU 59 HG LEU 59 96.613 11.561 4.614 6 HD11 LEU 59 HD11 LEU 59 93.965 10.407 3.780 7 HD12 LEU 59 HD12 LEU 59 94.962 11.442 2.815 8 HD13 LEU 59 HD13 LEU 59 95.529 9.848 3.266 9 HD21 LEU 59 HD21 LEU 59 95.080 12.902 6.179 10 HD22 LEU 59 HD22 LEU 59 95.093 13.362 4.485 11 HD23 LEU 59 HD23 LEU 59 93.767 12.420 5.120 No H/Q in entry = 11 In of MODEL 10 1 H ILE 60 H ILE 60 98.239 10.652 7.106 2 HA ILE 60 HA ILE 60 99.231 8.913 9.093 3 HB ILE 60 HB ILE 60 100.170 10.835 10.101 4 HD11 ILE 60 HD11 ILE 60 98.749 12.930 7.383 5 HD12 ILE 60 HD12 ILE 60 97.314 12.068 7.947 6 HD13 ILE 60 HD13 ILE 60 97.563 13.737 8.411 No H/Q in entry = 6 In of MODEL 10 1 H ASP 61 H ASP 61 96.404 10.718 8.760 2 HA ASP 61 HA ASP 61 95.633 10.578 11.577 3 HB2 ASP 61 HB2 ASP 61 95.406 12.658 10.172 4 HB3 ASP 61 HB3 ASP 61 94.123 11.833 9.289 No H/Q in entry = 4 In of MODEL 10 1 H GLY 62 H GLY 62 95.501 8.456 9.118 2 HA2 GLY 62 HA2 GLY 62 93.176 7.123 10.294 3 HA3 GLY 62 HA3 GLY 62 94.346 6.420 9.208 No H/Q in entry = 3 In of MODEL 10 1 H THR 63 H THR 63 93.407 9.328 7.832 2 HA THR 63 HA THR 63 90.891 8.447 6.720 3 HB THR 63 HB THR 63 92.669 10.558 5.536 4 HG1 THR 63 HG1 THR 63 91.122 11.874 6.906 5 HG21 THR 63 HG21 THR 63 90.605 9.652 4.350 6 HG22 THR 63 HG22 THR 63 89.683 10.405 5.641 7 HG23 THR 63 HG23 THR 63 90.678 11.400 4.584 No H/Q in entry = 7 In of MODEL 10 1 H VAL 64 H VAL 64 90.797 6.752 5.436 2 HA VAL 64 HA VAL 64 93.023 5.909 3.836 3 HB VAL 64 HB VAL 64 90.223 4.824 3.958 No H/Q in entry = 3 In of MODEL 10 1 H PHE 65 H PHE 65 93.582 6.605 1.979 2 HA PHE 65 HA PHE 65 91.550 7.921 0.274 3 HB2 PHE 65 HB2 PHE 65 93.246 9.245 -0.645 4 HB3 PHE 65 HB3 PHE 65 93.495 9.248 1.097 5 HD1 PHE 65 HD1 PHE 65 95.218 7.635 2.065 6 HD2 PHE 65 HD2 PHE 65 94.968 8.576 -2.103 7 HE1 PHE 65 HE1 PHE 65 97.586 6.950 1.771 8 HE2 PHE 65 HE2 PHE 65 97.345 7.883 -2.402 9 HZ PHE 65 HZ PHE 65 98.635 7.097 -0.446 No H/Q in entry = 9 In of MODEL 10 1 H ASP 66 H ASP 66 93.353 5.130 0.544 2 HA ASP 66 HA ASP 66 92.486 4.225 -2.040 3 HB2 ASP 66 HB2 ASP 66 94.881 3.519 -2.707 4 HB3 ASP 66 HB3 ASP 66 94.409 5.182 -2.972 No H/Q in entry = 4 In of MODEL 10 1 H SER 67 H SER 67 92.598 2.002 -2.296 2 HA SER 67 HA SER 67 93.892 0.382 -0.324 3 HB2 SER 67 HB2 SER 67 91.970 -0.637 0.627 4 HB3 SER 67 HB3 SER 67 91.800 1.103 0.796 5 HG SER 67 HG SER 67 90.589 -0.609 -1.117 No H/Q in entry = 5 In of MODEL 10 1 H THR 68 H THR 68 94.049 -1.788 -0.843 2 HA THR 68 HA THR 68 92.762 -2.759 -3.270 3 HB THR 68 HB THR 68 95.767 -2.498 -3.159 4 HG1 THR 68 HG1 THR 68 94.881 -1.222 -5.198 5 HG21 THR 68 HG21 THR 68 93.878 -3.523 -5.276 6 HG22 THR 68 HG22 THR 68 95.604 -3.258 -5.521 7 HG23 THR 68 HG23 THR 68 95.055 -4.458 -4.364 No H/Q in entry = 7 In of MODEL 10 1 H GLU 69 H GLU 69 95.237 -3.301 -0.782 2 HA GLU 69 HA GLU 69 95.326 -6.107 -1.089 3 HB2 GLU 69 HB2 GLU 69 96.389 -6.156 1.082 4 HB3 GLU 69 HB3 GLU 69 97.064 -4.914 0.044 5 HG2 GLU 69 HG2 GLU 69 96.828 -3.789 2.051 6 HG3 GLU 69 HG3 GLU 69 95.408 -3.335 1.136 No H/Q in entry = 6 In of MODEL 10 1 H LYS 70 H LYS 70 93.100 -3.980 0.470 2 HA LYS 70 HA LYS 70 91.863 -5.720 2.248 3 HB2 LYS 70 HB2 LYS 70 90.634 -3.599 0.486 4 HB3 LYS 70 HB3 LYS 70 89.816 -4.355 1.854 5 HG2 LYS 70 HG2 LYS 70 92.466 -2.938 2.057 6 HG3 LYS 70 HG3 LYS 70 90.927 -2.128 2.346 7 HD2 LYS 70 HD2 LYS 70 90.489 -4.060 4.045 8 HD3 LYS 70 HD3 LYS 70 92.223 -4.344 3.945 9 HE2 LYS 70 HE2 LYS 70 92.448 -2.769 5.544 10 HE3 LYS 70 HE3 LYS 70 92.026 -1.570 4.324 11 HZ1 LYS 70 HZ1 LYS 70 89.689 -2.839 5.268 12 HZ2 LYS 70 HZ2 LYS 70 90.586 -2.264 6.592 13 HZ3 LYS 70 HZ3 LYS 70 90.117 -1.199 5.352 No H/Q in entry = 13 In of MODEL 10 1 H THR 71 H THR 71 91.476 -5.187 -1.169 2 HA THR 71 HA THR 71 89.519 -7.255 -1.585 3 HB THR 71 HB THR 71 89.721 -6.676 -3.899 4 HG1 THR 71 HG1 THR 71 91.602 -4.880 -3.972 5 HG21 THR 71 HG21 THR 71 88.654 -4.990 -2.392 6 HG22 THR 71 HG22 THR 71 90.209 -4.167 -2.294 7 HG23 THR 71 HG23 THR 71 89.365 -4.273 -3.838 No H/Q in entry = 7 In of MODEL 10 1 H GLY 72 H GLY 72 92.992 -6.856 -1.805 2 HA2 GLY 72 HA2 GLY 72 93.402 -9.710 -1.763 3 HA3 GLY 72 HA3 GLY 72 94.645 -8.471 -1.655 No H/Q in entry = 3 In of MODEL 10 1 H LYS 73 H LYS 73 93.172 -7.263 -4.133 2 HA LYS 73 HA LYS 73 94.139 -9.176 -6.154 3 HB2 LYS 73 HB2 LYS 73 92.256 -6.858 -6.193 4 HB3 LYS 73 HB3 LYS 73 93.020 -7.356 -7.703 5 HG2 LYS 73 HG2 LYS 73 91.780 -9.267 -7.865 6 HG3 LYS 73 HG3 LYS 73 91.880 -9.613 -6.140 7 HD2 LYS 73 HD2 LYS 73 90.164 -7.982 -5.664 8 HD3 LYS 73 HD3 LYS 73 90.090 -7.485 -7.352 9 HE2 LYS 73 HE2 LYS 73 89.492 -10.260 -6.322 10 HE3 LYS 73 HE3 LYS 73 88.266 -9.057 -6.698 11 HZ1 LYS 73 HZ1 LYS 73 89.292 -8.967 -8.978 12 HZ2 LYS 73 HZ2 LYS 73 90.159 -10.369 -8.561 13 HZ3 LYS 73 HZ3 LYS 73 88.460 -10.395 -8.598 No H/Q in entry = 13 In of MODEL 10 1 HA PRO 74 HA PRO 74 97.904 -6.760 -6.256 2 HB2 PRO 74 HB2 PRO 74 98.513 -8.415 -8.652 3 HB3 PRO 74 HB3 PRO 74 99.450 -8.158 -7.174 4 HG2 PRO 74 HG2 PRO 74 98.177 -10.445 -7.626 5 HG3 PRO 74 HG3 PRO 74 98.299 -9.753 -6.009 6 HD2 PRO 74 HD2 PRO 74 95.993 -9.744 -7.893 7 HD3 PRO 74 HD3 PRO 74 96.056 -9.976 -6.140 No H/Q in entry = 7 In of MODEL 10 1 H ALA 75 H ALA 75 98.865 -5.216 -7.496 2 HA ALA 75 HA ALA 75 97.495 -4.352 -9.980 3 HB1 ALA 75 HB1 ALA 75 97.105 -2.958 -7.803 4 HB2 ALA 75 HB2 ALA 75 97.492 -2.120 -9.301 5 HB3 ALA 75 HB3 ALA 75 98.746 -2.384 -8.093 No H/Q in entry = 5 In of MODEL 10 1 H THR 76 H THR 76 98.925 -3.390 -11.551 2 HA THR 76 HA THR 76 101.762 -4.083 -11.089 3 HB THR 76 HB THR 76 100.992 -5.377 -12.869 4 HG1 THR 76 HG1 THR 76 102.398 -4.726 -14.298 5 HG21 THR 76 HG21 THR 76 99.451 -2.901 -13.625 6 HG22 THR 76 HG22 THR 76 99.795 -4.139 -14.833 7 HG23 THR 76 HG23 THR 76 98.867 -4.548 -13.394 No H/Q in entry = 7 In of MODEL 10 1 H PHE 77 H PHE 77 103.267 -2.647 -11.091 2 HA PHE 77 HA PHE 77 102.906 -0.085 -12.496 3 HB2 PHE 77 HB2 PHE 77 104.125 -0.170 -9.735 4 HB3 PHE 77 HB3 PHE 77 103.710 1.222 -10.688 5 HD1 PHE 77 HD1 PHE 77 102.633 -1.064 -8.214 6 HD2 PHE 77 HD2 PHE 77 101.243 1.654 -11.239 7 HE1 PHE 77 HE1 PHE 77 100.410 -0.988 -7.110 8 HE2 PHE 77 HE2 PHE 77 99.020 1.741 -10.137 9 HZ PHE 77 HZ PHE 77 98.597 0.418 -8.072 No H/Q in entry = 9 In of MODEL 10 1 H GLN 78 H GLN 78 104.876 0.859 -13.026 2 HA GLN 78 HA GLN 78 107.141 -0.987 -13.042 3 HB2 GLN 78 HB2 GLN 78 106.561 1.554 -14.502 4 HB3 GLN 78 HB3 GLN 78 108.184 0.912 -14.428 5 HG2 GLN 78 HG2 GLN 78 107.343 -1.222 -15.343 6 HG3 GLN 78 HG3 GLN 78 105.761 -0.491 -15.531 7 HE21 GLN 78 HE21 GLN 78 107.919 1.936 -15.973 8 HE22 GLN 78 HE22 GLN 78 108.109 1.892 -17.656 No H/Q in entry = 8 In of MODEL 10 1 H VAL 79 H VAL 79 108.707 -0.768 -11.602 2 HA VAL 79 HA VAL 79 108.500 0.755 -9.359 3 HB VAL 79 HB VAL 79 111.121 0.005 -10.662 No H/Q in entry = 3 In of MODEL 10 1 H SER 80 H SER 80 109.851 1.714 -12.501 2 HA SER 80 HA SER 80 111.017 4.117 -11.523 3 HB2 SER 80 HB2 SER 80 112.007 3.449 -13.509 4 HB3 SER 80 HB3 SER 80 110.470 2.968 -14.216 5 HG SER 80 HG SER 80 111.711 5.182 -14.643 No H/Q in entry = 5 In of MODEL 10 1 H GLN 81 H GLN 81 107.832 3.243 -12.565 2 HA GLN 81 HA GLN 81 107.067 6.078 -12.867 3 HB2 GLN 81 HB2 GLN 81 105.432 3.611 -13.398 4 HB3 GLN 81 HB3 GLN 81 105.004 5.269 -13.794 5 HG2 GLN 81 HG2 GLN 81 107.270 3.625 -14.952 6 HG3 GLN 81 HG3 GLN 81 105.824 4.260 -15.796 7 HE21 GLN 81 HE21 GLN 81 108.972 4.749 -15.909 8 HE22 GLN 81 HE22 GLN 81 109.063 6.440 -16.028 No H/Q in entry = 8 In of MODEL 10 1 H VAL 82 H VAL 82 106.922 3.652 -10.418 2 HA VAL 82 HA VAL 82 104.377 4.655 -9.360 3 HB VAL 82 HB VAL 82 105.177 2.254 -9.234 No H/Q in entry = 3 In of MODEL 10 1 H ILE 83 H ILE 83 104.479 5.080 -6.794 2 HA ILE 83 HA ILE 83 105.578 7.588 -6.529 3 HB ILE 83 HB ILE 83 105.386 6.406 -3.876 4 HD11 ILE 83 HD11 ILE 83 103.146 6.018 -2.863 5 HD12 ILE 83 HD12 ILE 83 101.980 6.539 -4.080 6 HD13 ILE 83 HD13 ILE 83 102.121 4.842 -3.658 No H/Q in entry = 6 In of MODEL 10 1 HA PRO 84 HA PRO 84 109.967 7.168 -5.878 2 HB2 PRO 84 HB2 PRO 84 109.580 8.952 -3.504 3 HB3 PRO 84 HB3 PRO 84 110.753 9.096 -4.827 4 HG2 PRO 84 HG2 PRO 84 108.631 10.664 -4.742 5 HG3 PRO 84 HG3 PRO 84 109.180 9.977 -6.272 6 HD2 PRO 84 HD2 PRO 84 106.866 9.186 -4.603 7 HD3 PRO 84 HD3 PRO 84 107.002 9.192 -6.361 No H/Q in entry = 7 In of MODEL 10 1 H GLY 85 H GLY 85 108.050 7.230 -2.874 2 HA2 GLY 85 HA2 GLY 85 108.152 5.864 -1.018 3 HA3 GLY 85 HA3 GLY 85 109.894 5.872 -1.252 No H/Q in entry = 3 In of MODEL 10 1 H TRP 86 H TRP 86 107.224 4.713 -3.208 2 HA TRP 86 HA TRP 86 107.549 1.935 -2.716 3 HB2 TRP 86 HB2 TRP 86 106.147 3.628 -4.745 4 HB3 TRP 86 HB3 TRP 86 106.355 1.921 -5.116 5 HD1 TRP 86 HD1 TRP 86 105.216 3.801 -1.906 6 HE1 TRP 86 HE1 TRP 86 103.132 2.620 -1.014 7 HE3 TRP 86 HE3 TRP 86 104.702 0.276 -5.470 8 HZ2 TRP 86 HZ2 TRP 86 101.464 0.410 -1.744 9 HZ3 TRP 86 HZ3 TRP 86 102.851 -1.339 -5.382 10 HH2 TRP 86 HH2 TRP 86 101.220 -1.291 -3.525 No H/Q in entry = 10 In of MODEL 10 1 H THR 87 H THR 87 108.955 4.142 -5.090 2 HA THR 87 HA THR 87 110.007 2.374 -6.906 3 HB THR 87 HB THR 87 111.457 4.800 -5.858 4 HG1 THR 87 HG1 THR 87 109.942 5.152 -8.061 5 HG21 THR 87 HG21 THR 87 112.523 3.156 -7.565 6 HG22 THR 87 HG22 THR 87 111.355 3.829 -8.681 7 HG23 THR 87 HG23 THR 87 112.521 4.872 -7.939 No H/Q in entry = 7 In of MODEL 10 1 H GLU 88 H GLU 88 111.596 3.596 -3.979 2 HA GLU 88 HA GLU 88 113.868 1.897 -4.237 3 HB2 GLU 88 HB2 GLU 88 113.706 4.130 -3.015 4 HB3 GLU 88 HB3 GLU 88 112.957 3.228 -1.695 5 HG2 GLU 88 HG2 GLU 88 115.296 3.287 -1.188 6 HG3 GLU 88 HG3 GLU 88 114.971 1.663 -1.794 No H/Q in entry = 6 In of MODEL 10 1 H ALA 89 H ALA 89 111.000 1.777 -2.145 2 HA ALA 89 HA ALA 89 111.696 -0.364 -0.534 3 HB1 ALA 89 HB1 ALA 89 109.006 0.518 -1.536 4 HB2 ALA 89 HB2 ALA 89 109.785 0.947 -0.015 5 HB3 ALA 89 HB3 ALA 89 109.233 -0.705 -0.290 No H/Q in entry = 5 In of MODEL 10 1 H LEU 90 H LEU 90 109.878 -0.563 -3.638 2 HA LEU 90 HA LEU 90 109.372 -3.315 -3.562 3 HB2 LEU 90 HB2 LEU 90 109.953 -1.567 -5.973 4 HB3 LEU 90 HB3 LEU 90 109.195 -3.142 -6.028 5 HG LEU 90 HG LEU 90 108.054 -0.905 -4.361 6 HD11 LEU 90 HD11 LEU 90 107.756 -1.456 -7.296 7 HD12 LEU 90 HD12 LEU 90 106.467 -0.690 -6.405 8 HD13 LEU 90 HD13 LEU 90 108.047 0.072 -6.495 9 HD21 LEU 90 HD21 LEU 90 107.024 -3.497 -5.472 10 HD22 LEU 90 HD22 LEU 90 107.085 -2.999 -3.800 11 HD23 LEU 90 HD23 LEU 90 105.942 -2.255 -4.914 No H/Q in entry = 11 In of MODEL 10 1 H GLN 91 H GLN 91 112.141 -1.518 -4.825 2 HA GLN 91 HA GLN 91 113.539 -3.682 -5.923 3 HB2 GLN 91 HB2 GLN 91 114.594 -1.118 -4.740 4 HB3 GLN 91 HB3 GLN 91 115.494 -2.208 -5.788 5 HG2 GLN 91 HG2 GLN 91 113.930 -1.834 -7.605 6 HG3 GLN 91 HG3 GLN 91 112.895 -0.868 -6.559 7 HE21 GLN 91 HE21 GLN 91 113.142 1.268 -7.318 8 HE22 GLN 91 HE22 GLN 91 114.638 2.017 -7.596 No H/Q in entry = 8 In of MODEL 10 1 H LEU 92 H LEU 92 113.064 -2.610 -2.679 2 HA LEU 92 HA LEU 92 115.253 -4.315 -1.662 3 HB2 LEU 92 HB2 LEU 92 113.507 -2.290 -0.256 4 HB3 LEU 92 HB3 LEU 92 114.831 -3.184 0.487 5 HG LEU 92 HG LEU 92 115.133 -1.282 -1.847 6 HD11 LEU 92 HD11 LEU 92 114.502 -0.137 0.198 7 HD12 LEU 92 HD12 LEU 92 115.809 -0.951 1.059 8 HD13 LEU 92 HD13 LEU 92 116.177 0.200 -0.227 9 HD21 LEU 92 HD21 LEU 92 117.055 -2.953 -0.262 10 HD22 LEU 92 HD22 LEU 92 116.928 -2.797 -2.013 11 HD23 LEU 92 HD23 LEU 92 117.582 -1.475 -1.058 No H/Q in entry = 11 In of MODEL 10 1 H MET 93 H MET 93 111.871 -4.321 -2.120 2 HA MET 93 HA MET 93 111.343 -6.095 0.122 3 HB2 MET 93 HB2 MET 93 109.684 -4.418 -0.515 4 HB3 MET 93 HB3 MET 93 109.524 -5.173 -2.102 5 HG2 MET 93 HG2 MET 93 108.562 -7.127 -1.208 6 HG3 MET 93 HG3 MET 93 109.127 -6.774 0.421 7 HE1 MET 93 HE1 MET 93 107.271 -5.713 -2.514 8 HE2 MET 93 HE2 MET 93 105.623 -5.861 -1.920 9 HE3 MET 93 HE3 MET 93 106.379 -4.277 -2.015 No H/Q in entry = 9 In of MODEL 10 1 HA PRO 94 HA PRO 94 112.336 -9.606 -2.697 2 HB2 PRO 94 HB2 PRO 94 111.926 -11.220 -0.270 3 HB3 PRO 94 HB3 PRO 94 113.343 -11.139 -1.323 4 HG2 PRO 94 HG2 PRO 94 113.372 -10.092 1.123 5 HG3 PRO 94 HG3 PRO 94 114.196 -9.292 -0.231 6 HD2 PRO 94 HD2 PRO 94 111.531 -8.659 0.977 7 HD3 PRO 94 HD3 PRO 94 112.839 -7.582 0.515 No H/Q in entry = 7 In of MODEL 10 1 H ALA 95 H ALA 95 111.089 -11.156 -3.707 2 HA ALA 95 HA ALA 95 108.304 -10.843 -3.524 3 HB1 ALA 95 HB1 ALA 95 109.921 -12.949 -4.915 4 HB2 ALA 95 HB2 ALA 95 108.170 -12.782 -5.066 5 HB3 ALA 95 HB3 ALA 95 109.224 -11.488 -5.619 No H/Q in entry = 5 In of MODEL 10 1 H GLY 96 H GLY 96 106.720 -11.875 -2.599 2 HA2 GLY 96 HA2 GLY 96 107.260 -14.317 -1.067 3 HA3 GLY 96 HA3 GLY 96 105.681 -13.614 -1.434 No H/Q in entry = 3 In of MODEL 10 1 H SER 97 H SER 97 108.137 -11.416 -0.536 2 HA SER 97 HA SER 97 107.465 -11.456 2.304 3 HB2 SER 97 HB2 SER 97 109.383 -10.213 2.621 4 HB3 SER 97 HB3 SER 97 109.805 -11.008 1.106 5 HG SER 97 HG SER 97 108.727 -9.081 0.132 No H/Q in entry = 5 In of MODEL 10 1 H THR 98 H THR 98 106.047 -10.198 3.225 2 HA THR 98 HA THR 98 104.771 -8.053 1.671 3 HB THR 98 HB THR 98 103.819 -9.439 4.183 4 HG1 THR 98 HG1 THR 98 102.303 -9.837 2.032 5 HG21 THR 98 HG21 THR 98 102.555 -7.428 2.302 6 HG22 THR 98 HG22 THR 98 101.668 -8.368 3.503 7 HG23 THR 98 HG23 THR 98 102.913 -7.232 4.015 No H/Q in entry = 7 In of MODEL 10 1 H TRP 99 H TRP 99 105.552 -6.088 2.063 2 HA TRP 99 HA TRP 99 106.434 -5.457 4.823 3 HB2 TRP 99 HB2 TRP 99 107.325 -4.224 2.211 4 HB3 TRP 99 HB3 TRP 99 107.775 -3.636 3.799 5 HD1 TRP 99 HD1 TRP 99 107.843 -7.341 3.900 6 HE1 TRP 99 HE1 TRP 99 110.229 -8.205 3.668 7 HE3 TRP 99 HE3 TRP 99 110.092 -3.036 2.367 8 HZ2 TRP 99 HZ2 TRP 99 112.821 -7.165 2.935 9 HZ3 TRP 99 HZ3 TRP 99 112.532 -2.995 1.920 10 HH2 TRP 99 HH2 TRP 99 113.898 -5.048 2.207 No H/Q in entry = 10 In of MODEL 10 1 H GLU 100 H GLU 100 106.241 -3.217 5.407 2 HA GLU 100 HA GLU 100 103.968 -1.782 4.211 3 HB2 GLU 100 HB2 GLU 100 104.602 -2.186 7.135 4 HB3 GLU 100 HB3 GLU 100 103.638 -0.822 6.575 5 HG2 GLU 100 HG2 GLU 100 102.006 -2.294 5.608 6 HG3 GLU 100 HG3 GLU 100 102.987 -3.702 5.959 No H/Q in entry = 6 In of MODEL 10 1 H ILE 101 H ILE 101 104.549 0.255 3.593 2 HA ILE 101 HA ILE 101 106.999 1.340 4.730 3 HB ILE 101 HB ILE 101 107.916 1.912 2.702 4 HD11 ILE 101 HD11 ILE 101 107.919 2.610 0.443 5 HD12 ILE 101 HD12 ILE 101 107.302 1.030 -0.029 6 HD13 ILE 101 HD13 ILE 101 106.485 2.482 -0.556 No H/Q in entry = 6 In of MODEL 10 1 H TYR 102 H TYR 102 107.083 3.354 5.242 2 HA TYR 102 HA TYR 102 104.580 4.905 5.072 3 HB2 TYR 102 HB2 TYR 102 106.898 5.209 6.988 4 HB3 TYR 102 HB3 TYR 102 105.350 6.001 7.102 5 HD1 TYR 102 HD1 TYR 102 106.398 2.383 6.591 6 HD2 TYR 102 HD2 TYR 102 104.096 5.154 8.911 7 HE1 TYR 102 HE1 TYR 102 105.541 0.533 7.897 8 HE2 TYR 102 HE2 TYR 102 103.235 3.272 10.263 9 HH TYR 102 HH TYR 102 103.475 0.078 9.321 No H/Q in entry = 9 In of MODEL 10 1 H VAL 103 H VAL 103 104.812 6.094 3.278 2 HA VAL 103 HA VAL 103 107.365 7.049 2.449 3 HB VAL 103 HB VAL 103 104.770 7.598 1.116 No H/Q in entry = 3 In of MODEL 10 1 HA PRO 104 HA PRO 104 106.850 11.108 4.376 2 HB2 PRO 104 HB2 PRO 104 109.053 11.689 2.427 3 HB3 PRO 104 HB3 PRO 104 108.974 12.046 4.163 4 HG2 PRO 104 HG2 PRO 104 110.487 10.047 3.164 5 HG3 PRO 104 HG3 PRO 104 109.740 9.958 4.757 6 HD2 PRO 104 HD2 PRO 104 109.032 8.523 2.287 7 HD3 PRO 104 HD3 PRO 104 108.698 8.096 3.978 No H/Q in entry = 7 In of MODEL 10 1 H SER 105 H SER 105 105.746 12.927 3.611 2 HA SER 105 HA SER 105 104.215 12.780 1.338 3 HB2 SER 105 HB2 SER 105 103.845 15.184 1.565 4 HB3 SER 105 HB3 SER 105 103.836 14.413 3.149 5 HG SER 105 HG SER 105 106.341 15.089 2.456 No H/Q in entry = 5 In of MODEL 10 1 H GLY 106 H GLY 106 107.478 14.024 1.688 2 HA2 GLY 106 HA2 GLY 106 109.044 14.703 0.148 3 HA3 GLY 106 HA3 GLY 106 107.709 15.245 -0.861 No H/Q in entry = 3 In of MODEL 10 1 H LEU 107 H LEU 107 108.097 11.952 0.275 2 HA LEU 107 HA LEU 107 109.048 11.081 -2.382 3 HB2 LEU 107 HB2 LEU 107 108.890 9.546 0.227 4 HB3 LEU 107 HB3 LEU 107 109.561 8.935 -1.262 5 HG LEU 107 HG LEU 107 110.622 11.249 0.370 6 HD11 LEU 107 HD11 LEU 107 111.125 8.949 1.205 7 HD12 LEU 107 HD12 LEU 107 111.878 8.601 -0.348 8 HD13 LEU 107 HD13 LEU 107 112.563 9.832 0.701 9 HD21 LEU 107 HD21 LEU 107 111.260 10.309 -2.405 10 HD22 LEU 107 HD22 LEU 107 111.128 11.956 -1.795 11 HD23 LEU 107 HD23 LEU 107 112.548 10.985 -1.413 No H/Q in entry = 11 In of MODEL 10 1 H ALA 108 H ALA 108 106.128 11.596 -0.985 2 HA ALA 108 HA ALA 108 104.905 9.149 -2.048 3 HB1 ALA 108 HB1 ALA 108 103.603 11.204 -0.269 4 HB2 ALA 108 HB2 ALA 108 103.055 9.574 -0.640 5 HB3 ALA 108 HB3 ALA 108 104.474 9.821 0.349 No H/Q in entry = 5 In of MODEL 10 1 H TYR 109 H TYR 109 102.682 11.643 -1.602 2 HA TYR 109 HA TYR 109 102.480 11.967 -4.486 3 HB2 TYR 109 HB2 TYR 109 100.499 12.294 -2.275 4 HB3 TYR 109 HB3 TYR 109 100.168 12.847 -3.916 5 HD1 TYR 109 HD1 TYR 109 100.270 10.024 -1.744 6 HD2 TYR 109 HD2 TYR 109 100.569 11.131 -5.868 7 HE1 TYR 109 HE1 TYR 109 99.811 7.733 -2.391 8 HE2 TYR 109 HE2 TYR 109 100.164 8.787 -6.526 9 HH TYR 109 HH TYR 109 99.294 6.376 -4.070 No H/Q in entry = 9 In of MODEL 10 1 H GLY 110 H GLY 110 104.040 13.658 -2.214 2 HA2 GLY 110 HA2 GLY 110 103.454 16.225 -3.582 3 HA3 GLY 110 HA3 GLY 110 105.040 15.747 -3.019 No H/Q in entry = 3 In of MODEL 10 1 HA PRO 111 HA PRO 111 104.289 17.794 0.834 2 HB2 PRO 111 HB2 PRO 111 105.193 20.266 0.351 3 HB3 PRO 111 HB3 PRO 111 106.287 18.872 0.283 4 HG2 PRO 111 HG2 PRO 111 104.902 20.259 -1.974 5 HG3 PRO 111 HG3 PRO 111 106.618 19.836 -1.817 6 HD2 PRO 111 HD2 PRO 111 104.881 18.281 -3.201 7 HD3 PRO 111 HD3 PRO 111 106.230 17.581 -2.284 No H/Q in entry = 7 In of MODEL 10 1 H ARG 112 H ARG 112 102.621 18.610 -1.985 2 HA ARG 112 HA ARG 112 100.810 20.499 -0.594 3 HB2 ARG 112 HB2 ARG 112 102.057 21.017 -2.860 4 HB3 ARG 112 HB3 ARG 112 100.798 20.011 -3.571 5 HG2 ARG 112 HG2 ARG 112 99.072 21.445 -2.532 6 HG3 ARG 112 HG3 ARG 112 100.338 22.460 -1.840 7 HD2 ARG 112 HD2 ARG 112 101.179 22.848 -4.190 8 HD3 ARG 112 HD3 ARG 112 99.744 22.016 -4.777 9 HE ARG 112 HE ARG 112 99.842 24.683 -3.627 10 HH11 ARG 112 HH11 ARG 112 97.954 21.892 -4.389 11 HH12 ARG 112 HH12 ARG 112 96.452 22.750 -4.476 12 HH21 ARG 112 HH21 ARG 112 97.875 25.828 -3.735 13 HH22 ARG 112 HH22 ARG 112 96.409 24.985 -4.107 No H/Q in entry = 13 In of MODEL 10 1 H SER 113 H SER 113 98.465 20.261 -1.349 2 HA SER 113 HA SER 113 97.646 17.555 -0.897 3 HB2 SER 113 HB2 SER 113 95.788 19.690 -1.903 4 HB3 SER 113 HB3 SER 113 95.497 18.427 -0.712 5 HG SER 113 HG SER 113 95.988 20.810 -0.110 No H/Q in entry = 5 In of MODEL 10 1 H VAL 114 H VAL 114 98.321 16.243 -2.549 2 HA VAL 114 HA VAL 114 97.363 16.932 -5.291 3 HB VAL 114 HB VAL 114 99.518 14.935 -4.624 No H/Q in entry = 3 In of MODEL 10 1 H GLY 115 H GLY 115 95.326 16.042 -3.999 2 HA2 GLY 115 HA2 GLY 115 95.122 13.204 -3.731 3 HA3 GLY 115 HA3 GLY 115 94.463 13.750 -5.268 No H/Q in entry = 3 In of MODEL 10 1 H GLY 116 H GLY 116 92.551 12.702 -4.109 2 HA2 GLY 116 HA2 GLY 116 90.486 12.898 -3.098 3 HA3 GLY 116 HA3 GLY 116 90.622 14.593 -3.507 No H/Q in entry = 3 In of MODEL 10 1 HA PRO 117 HA PRO 117 90.371 14.231 1.130 2 HB2 PRO 117 HB2 PRO 117 91.337 12.007 2.401 3 HB3 PRO 117 HB3 PRO 117 89.685 12.149 1.791 4 HG2 PRO 117 HG2 PRO 117 92.055 10.911 0.476 5 HG3 PRO 117 HG3 PRO 117 90.417 10.287 0.619 6 HD2 PRO 117 HD2 PRO 117 91.206 11.390 -1.645 7 HD3 PRO 117 HD3 PRO 117 89.583 11.739 -1.009 No H/Q in entry = 7 In of MODEL 10 1 H ILE 118 H ILE 118 93.134 13.461 -0.515 2 HA ILE 118 HA ILE 118 95.110 13.779 1.470 3 HB ILE 118 HB ILE 118 95.448 14.519 -1.438 4 HD11 ILE 118 HD11 ILE 118 96.069 11.844 0.885 5 HD12 ILE 118 HD12 ILE 118 94.402 11.343 0.629 6 HD13 ILE 118 HD13 ILE 118 95.715 10.532 -0.193 No H/Q in entry = 6 In of MODEL 10 1 H GLY 119 H GLY 119 95.700 15.561 2.473 2 HA2 GLY 119 HA2 GLY 119 95.257 17.733 3.170 3 HA3 GLY 119 HA3 GLY 119 94.763 18.178 1.539 No H/Q in entry = 3 In of MODEL 10 1 HA PRO 120 HA PRO 120 98.774 19.938 0.975 2 HB2 PRO 120 HB2 PRO 120 99.127 21.739 3.059 3 HB3 PRO 120 HB3 PRO 120 98.162 22.072 1.619 4 HG2 PRO 120 HG2 PRO 120 97.260 21.148 4.304 5 HG3 PRO 120 HG3 PRO 120 96.536 22.347 3.240 6 HD2 PRO 120 HD2 PRO 120 95.537 19.864 3.464 7 HD3 PRO 120 HD3 PRO 120 95.542 20.710 1.901 No H/Q in entry = 7 In of MODEL 10 1 H ASN 121 H ASN 121 100.938 19.422 1.465 2 HA ASN 121 HA ASN 121 102.625 18.201 2.498 3 HB2 ASN 121 HB2 ASN 121 102.296 20.482 3.773 4 HB3 ASN 121 HB3 ASN 121 101.727 19.451 5.082 5 HD21 ASN 121 HD21 ASN 121 103.564 17.208 4.344 6 HD22 ASN 121 HD22 ASN 121 105.113 17.714 4.818 No H/Q in entry = 6 In of MODEL 10 1 H GLU 122 H GLU 122 100.727 16.454 2.122 2 HA GLU 122 HA GLU 122 100.079 15.128 4.668 3 HB2 GLU 122 HB2 GLU 122 98.506 15.679 2.567 4 HB3 GLU 122 HB3 GLU 122 99.087 14.113 2.090 5 HG2 GLU 122 HG2 GLU 122 96.993 13.907 3.246 6 HG3 GLU 122 HG3 GLU 122 98.279 13.168 4.215 No H/Q in entry = 6 In of MODEL 10 1 H THR 123 H THR 123 101.062 13.364 5.310 2 HA THR 123 HA THR 123 103.010 12.049 3.524 3 HB THR 123 HB THR 123 102.524 11.824 6.501 4 HG1 THR 123 HG1 THR 123 103.683 13.683 5.365 5 HG21 THR 123 HG21 THR 123 103.294 9.681 5.490 6 HG22 THR 123 HG22 THR 123 104.660 10.528 4.798 7 HG23 THR 123 HG23 THR 123 104.501 10.390 6.545 No H/Q in entry = 7 In of MODEL 10 1 H LEU 124 H LEU 124 102.546 10.110 2.632 2 HA LEU 124 HA LEU 124 100.109 8.701 3.592 3 HB2 LEU 124 HB2 LEU 124 101.408 8.604 0.859 4 HB3 LEU 124 HB3 LEU 124 99.962 7.740 1.341 5 HG LEU 124 HG LEU 124 99.093 9.591 0.206 6 HD11 LEU 124 HD11 LEU 124 98.204 9.397 2.577 7 HD12 LEU 124 HD12 LEU 124 99.232 10.775 2.934 8 HD13 LEU 124 HD13 LEU 124 97.958 10.932 1.755 9 HD21 LEU 124 HD21 LEU 124 101.323 10.758 0.067 10 HD22 LEU 124 HD22 LEU 124 99.926 11.803 0.216 11 HD23 LEU 124 HD23 LEU 124 100.939 11.485 1.604 No H/Q in entry = 11 In of MODEL 10 1 H ILE 125 H ILE 125 100.106 6.508 3.791 2 HA ILE 125 HA ILE 125 102.701 5.101 3.752 3 HB ILE 125 HB ILE 125 102.215 5.338 6.071 4 HD11 ILE 125 HD11 ILE 125 101.989 3.817 7.774 5 HD12 ILE 125 HD12 ILE 125 100.875 2.483 7.567 6 HD13 ILE 125 HD13 ILE 125 102.596 2.242 7.332 No H/Q in entry = 6 In of MODEL 10 1 H PHE 126 H PHE 126 102.602 2.930 3.112 2 HA PHE 126 HA PHE 126 99.985 1.949 2.250 3 HB2 PHE 126 HB2 PHE 126 102.330 1.582 0.409 4 HB3 PHE 126 HB3 PHE 126 100.606 1.447 0.065 5 HD1 PHE 126 HD1 PHE 126 99.558 3.229 -1.022 6 HD2 PHE 126 HD2 PHE 126 103.118 3.931 1.263 7 HE1 PHE 126 HE1 PHE 126 99.572 5.595 -1.756 8 HE2 PHE 126 HE2 PHE 126 103.108 6.283 0.543 9 HZ PHE 126 HZ PHE 126 101.362 7.126 -0.949 No H/Q in entry = 9 In of MODEL 10 1 H LYS 127 H LYS 127 99.795 -0.285 2.107 2 HA LYS 127 HA LYS 127 101.922 -1.789 3.434 3 HB2 LYS 127 HB2 LYS 127 99.404 -3.211 2.834 4 HB3 LYS 127 HB3 LYS 127 100.281 -3.105 4.339 5 HG2 LYS 127 HG2 LYS 127 98.454 -0.979 3.250 6 HG3 LYS 127 HG3 LYS 127 98.041 -2.126 4.513 7 HD2 LYS 127 HD2 LYS 127 99.831 -1.211 5.953 8 HD3 LYS 127 HD3 LYS 127 100.237 -0.039 4.716 9 HE2 LYS 127 HE2 LYS 127 97.974 0.908 4.845 10 HE3 LYS 127 HE3 LYS 127 97.548 -0.277 6.079 11 HZ1 LYS 127 HZ1 LYS 127 99.950 1.274 6.585 12 HZ2 LYS 127 HZ2 LYS 127 98.496 2.145 6.629 13 HZ3 LYS 127 HZ3 LYS 127 98.711 0.804 7.650 No H/Q in entry = 13 In of MODEL 10 1 H ILE 128 H ILE 128 103.187 -3.078 2.122 2 HA ILE 128 HA ILE 128 102.063 -3.559 -0.597 3 HB ILE 128 HB ILE 128 105.033 -3.375 -0.167 4 HD11 ILE 128 HD11 ILE 128 105.438 -0.972 -1.769 5 HD12 ILE 128 HD12 ILE 128 105.098 0.359 -0.678 6 HD13 ILE 128 HD13 ILE 128 106.126 -0.966 -0.147 No H/Q in entry = 6 In of MODEL 10 1 H HIS 129 H HIS 129 101.709 -5.475 -1.119 2 HA HIS 129 HA HIS 129 103.220 -7.721 0.109 3 HB2 HIS 129 HB2 HIS 129 100.878 -7.836 0.713 4 HB3 HIS 129 HB3 HIS 129 100.399 -7.571 -0.962 5 HD2 HIS 129 HD2 HIS 129 103.216 -10.214 -0.021 6 HE1 HIS 129 HE1 HIS 129 99.885 -12.221 -1.690 7 HE2 HIS 129 HE2 HIS 129 102.296 -12.485 -0.971 No H/Q in entry = 7 In of MODEL 10 1 H LEU 130 H LEU 130 104.616 -8.679 -1.292 2 HA LEU 130 HA LEU 130 104.241 -8.127 -4.133 3 HB2 LEU 130 HB2 LEU 130 106.495 -8.310 -2.496 4 HB3 LEU 130 HB3 LEU 130 106.544 -9.751 -3.473 5 HG LEU 130 HG LEU 130 106.246 -6.978 -4.573 6 HD11 LEU 130 HD11 LEU 130 108.633 -8.820 -4.495 7 HD12 LEU 130 HD12 LEU 130 108.566 -7.349 -5.443 8 HD13 LEU 130 HD13 LEU 130 108.492 -7.271 -3.684 9 HD21 LEU 130 HD21 LEU 130 105.204 -8.746 -5.987 10 HD22 LEU 130 HD22 LEU 130 106.608 -8.054 -6.737 11 HD23 LEU 130 HD23 LEU 130 106.737 -9.611 -5.963 No H/Q in entry = 11 In of MODEL 10 1 H ILE 131 H ILE 131 102.997 -9.443 -5.303 2 HA ILE 131 HA ILE 131 102.820 -12.286 -4.631 3 HB ILE 131 HB ILE 131 101.255 -10.519 -6.534 4 HD11 ILE 131 HD11 ILE 131 100.231 -9.012 -5.071 5 HD12 ILE 131 HD12 ILE 131 99.698 -9.479 -3.461 6 HD13 ILE 131 HD13 ILE 131 101.407 -9.378 -3.812 No H/Q in entry = 6 In of MODEL 10 1 H SER 132 H SER 132 103.675 -10.198 -7.427 2 HA SER 132 HA SER 132 105.448 -12.309 -8.406 3 HB2 SER 132 HB2 SER 132 104.411 -12.700 -10.446 4 HB3 SER 132 HB3 SER 132 103.010 -12.502 -9.390 5 HG SER 132 HG SER 132 102.590 -11.104 -10.970 No H/Q in entry = 5 In of MODEL 10 1 H VAL 133 H VAL 133 106.956 -11.580 -10.015 2 HA VAL 133 HA VAL 133 107.194 -8.628 -10.238 3 HB VAL 133 HB VAL 133 109.454 -10.602 -9.763 No H/Q in entry = 3 In of MODEL 10 1 H LYS 134 H LYS 134 107.797 -7.847 -12.191 2 HA LYS 134 HA LYS 134 107.999 -9.722 -14.419 3 HB2 LYS 134 HB2 LYS 134 106.514 -7.497 -14.198 4 HB3 LYS 134 HB3 LYS 134 108.010 -6.791 -14.794 5 HG2 LYS 134 HG2 LYS 134 106.901 -7.261 -16.798 6 HG3 LYS 134 HG3 LYS 134 107.910 -8.695 -16.601 7 HD2 LYS 134 HD2 LYS 134 105.972 -9.814 -15.462 8 HD3 LYS 134 HD3 LYS 134 104.983 -8.418 -15.874 9 HE2 LYS 134 HE2 LYS 134 106.512 -9.993 -17.954 10 HE3 LYS 134 HE3 LYS 134 104.847 -10.370 -17.509 11 HZ1 LYS 134 HZ1 LYS 134 104.737 -7.718 -17.899 12 HZ2 LYS 134 HZ2 LYS 134 105.895 -8.166 -19.058 13 HZ3 LYS 134 HZ3 LYS 134 104.350 -8.872 -19.079 No H/Q in entry = 13 In of MODEL 10 1 H LYS 135 H LYS 135 109.279 -7.700 -16.035 2 HA LYS 135 HA LYS 135 111.764 -6.893 -15.037 3 HB2 LYS 135 HB2 LYS 135 111.680 -9.643 -15.569 4 HB3 LYS 135 HB3 LYS 135 112.533 -8.972 -16.943 5 HG2 LYS 135 HG2 LYS 135 113.254 -8.268 -14.097 6 HG3 LYS 135 HG3 LYS 135 113.923 -9.666 -14.929 7 HD2 LYS 135 HD2 LYS 135 114.065 -6.978 -16.270 8 HD3 LYS 135 HD3 LYS 135 115.197 -7.339 -14.976 9 HE2 LYS 135 HE2 LYS 135 114.796 -9.258 -17.255 10 HE3 LYS 135 HE3 LYS 135 115.909 -7.903 -17.400 11 HZ1 LYS 135 HZ1 LYS 135 116.630 -8.872 -15.038 12 HZ2 LYS 135 HZ2 LYS 135 116.108 -10.308 -15.783 13 HZ3 LYS 135 HZ3 LYS 135 117.333 -9.374 -16.498 No H/Q in entry = 13 In of MODEL 10 1 H SER 136 H SER 136 112.867 -5.647 -16.371 2 HA SER 136 HA SER 136 111.670 -5.097 -19.037 3 HB2 SER 136 HB2 SER 136 111.384 -3.200 -17.599 4 HB3 SER 136 HB3 SER 136 113.043 -3.330 -17.011 5 HG SER 136 HG SER 136 112.684 -1.708 -18.676 No H/Q in entry = 5 In of MODEL 10 1 H SER 137 H SER 137 114.702 -5.022 -17.186 2 HA SER 137 HA SER 137 116.244 -6.351 -19.149 3 HB2 SER 137 HB2 SER 137 115.983 -4.292 -20.439 4 HB3 SER 137 HB3 SER 137 116.537 -3.336 -19.069 5 HG SER 137 HG SER 137 118.546 -4.237 -19.271 No H/Q in entry = 5 In of MODEL 11 1 H1 PHE 1 H1 PHE 1 97.284 28.493 2.245 2 H2 PHE 1 H2 PHE 1 95.810 28.933 1.528 3 H3 PHE 1 H3 PHE 1 96.086 29.259 3.173 4 HA PHE 1 HA PHE 1 94.815 27.389 3.376 5 HB2 PHE 1 HB2 PHE 1 96.210 26.284 0.918 6 HB3 PHE 1 HB3 PHE 1 94.827 25.575 1.748 7 HD1 PHE 1 HD1 PHE 1 92.599 26.555 1.573 8 HD2 PHE 1 HD2 PHE 1 95.962 28.304 -0.454 9 HE1 PHE 1 HE1 PHE 1 91.058 27.926 0.197 10 HE2 PHE 1 HE2 PHE 1 94.420 29.675 -1.830 11 HZ PHE 1 HZ PHE 1 91.968 29.484 -1.504 No H/Q in entry = 11 In of MODEL 11 1 H ASN 2 H ASN 2 97.956 28.057 3.562 2 HA ASN 2 HA ASN 2 99.221 25.581 4.028 3 HB2 ASN 2 HB2 ASN 2 99.872 28.359 4.976 4 HB3 ASN 2 HB3 ASN 2 100.901 26.967 5.288 5 HD21 ASN 2 HD21 ASN 2 100.160 29.399 2.980 6 HD22 ASN 2 HD22 ASN 2 101.056 28.757 1.689 No H/Q in entry = 6 In of MODEL 11 1 H LYS 3 H LYS 3 97.287 27.665 6.058 2 HA LYS 3 HA LYS 3 97.957 26.938 8.602 3 HB2 LYS 3 HB2 LYS 3 95.502 27.189 9.149 4 HB3 LYS 3 HB3 LYS 3 96.218 28.532 8.264 5 HG2 LYS 3 HG2 LYS 3 94.632 28.289 6.645 6 HG3 LYS 3 HG3 LYS 3 95.273 26.692 6.277 7 HD2 LYS 3 HD2 LYS 3 93.830 25.760 8.111 8 HD3 LYS 3 HD3 LYS 3 93.107 27.358 8.296 9 HE2 LYS 3 HE2 LYS 3 92.593 27.237 5.790 10 HE3 LYS 3 HE3 LYS 3 93.016 25.531 5.907 11 HZ1 LYS 3 HZ1 LYS 3 91.106 26.648 7.827 12 HZ2 LYS 3 HZ2 LYS 3 90.571 26.302 6.253 13 HZ3 LYS 3 HZ3 LYS 3 91.223 25.068 7.222 No H/Q in entry = 13 In of MODEL 11 1 H LYS 4 H LYS 4 95.961 25.032 6.343 2 HA LYS 4 HA LYS 4 95.429 22.955 8.232 3 HB2 LYS 4 HB2 LYS 4 94.280 23.598 5.919 4 HB3 LYS 4 HB3 LYS 4 95.387 22.388 5.295 5 HG2 LYS 4 HG2 LYS 4 93.396 21.991 7.542 6 HG3 LYS 4 HG3 LYS 4 93.211 21.399 5.897 7 HD2 LYS 4 HD2 LYS 4 95.418 20.125 6.284 8 HD3 LYS 4 HD3 LYS 4 95.189 20.519 7.993 9 HE2 LYS 4 HE2 LYS 4 92.896 19.521 7.880 10 HE3 LYS 4 HE3 LYS 4 93.255 18.983 6.240 11 HZ1 LYS 4 HZ1 LYS 4 94.876 18.263 8.617 12 HZ2 LYS 4 HZ2 LYS 4 93.645 17.287 7.978 13 HZ3 LYS 4 HZ3 LYS 4 95.023 17.633 7.045 No H/Q in entry = 13 In of MODEL 11 1 H ALA 5 H ALA 5 97.801 23.520 5.724 2 HA ALA 5 HA ALA 5 99.065 21.088 5.459 3 HB1 ALA 5 HB1 ALA 5 100.868 22.296 4.553 4 HB2 ALA 5 HB2 ALA 5 100.597 23.668 5.606 5 HB3 ALA 5 HB3 ALA 5 99.489 23.350 4.283 No H/Q in entry = 5 In of MODEL 11 1 H ASP 6 H ASP 6 99.316 23.446 7.982 2 HA ASP 6 HA ASP 6 101.595 22.465 9.284 3 HB2 ASP 6 HB2 ASP 6 99.213 23.996 10.239 4 HB3 ASP 6 HB3 ASP 6 100.584 23.618 11.272 No H/Q in entry = 4 In of MODEL 11 1 H GLU 7 H GLU 7 98.148 21.567 9.568 2 HA GLU 7 HA GLU 7 98.468 19.892 11.843 3 HB2 GLU 7 HB2 GLU 7 96.412 19.432 9.737 4 HB3 GLU 7 HB3 GLU 7 96.271 19.192 11.473 5 HG2 GLU 7 HG2 GLU 7 96.568 21.688 11.723 6 HG3 GLU 7 HG3 GLU 7 96.374 21.800 9.975 No H/Q in entry = 6 In of MODEL 11 1 H ASN 8 H ASN 8 98.309 19.218 8.416 2 HA ASN 8 HA ASN 8 98.687 16.415 8.543 3 HB2 ASN 8 HB2 ASN 8 99.601 18.283 6.359 4 HB3 ASN 8 HB3 ASN 8 99.153 16.587 6.189 5 HD21 ASN 8 HD21 ASN 8 97.819 18.474 4.660 6 HD22 ASN 8 HD22 ASN 8 96.222 18.620 5.208 No H/Q in entry = 6 In of MODEL 11 1 H LYS 9 H LYS 9 100.741 19.163 8.487 2 HA LYS 9 HA LYS 9 103.250 17.887 8.144 3 HB2 LYS 9 HB2 LYS 9 103.244 20.163 7.667 4 HB3 LYS 9 HB3 LYS 9 102.227 20.516 9.030 5 HG2 LYS 9 HG2 LYS 9 104.045 20.312 10.565 6 HG3 LYS 9 HG3 LYS 9 105.099 19.711 9.290 7 HD2 LYS 9 HD2 LYS 9 104.782 21.899 8.100 8 HD3 LYS 9 HD3 LYS 9 103.887 22.469 9.502 9 HE2 LYS 9 HE2 LYS 9 105.826 22.147 10.941 10 HE3 LYS 9 HE3 LYS 9 106.741 21.465 9.595 11 HZ1 LYS 9 HZ1 LYS 9 105.697 23.922 8.778 12 HZ2 LYS 9 HZ2 LYS 9 106.426 24.160 10.292 13 HZ3 LYS 9 HZ3 LYS 9 107.326 23.498 9.011 No H/Q in entry = 13 In of MODEL 11 1 H VAL 10 H VAL 10 101.613 19.095 11.121 2 HA VAL 10 HA VAL 10 103.685 18.171 12.826 3 HB VAL 10 HB VAL 10 100.828 18.915 13.412 No H/Q in entry = 3 In of MODEL 11 1 H LYS 11 H LYS 11 100.505 16.777 12.040 2 HA LYS 11 HA LYS 11 100.865 14.481 13.630 3 HB2 LYS 11 HB2 LYS 11 99.144 15.056 11.255 4 HB3 LYS 11 HB3 LYS 11 99.178 13.476 12.005 5 HG2 LYS 11 HG2 LYS 11 97.385 14.500 13.102 6 HG3 LYS 11 HG3 LYS 11 98.707 14.762 14.231 7 HD2 LYS 11 HD2 LYS 11 99.063 17.012 13.089 8 HD3 LYS 11 HD3 LYS 11 97.530 16.741 12.265 9 HE2 LYS 11 HE2 LYS 11 98.074 17.191 15.185 10 HE3 LYS 11 HE3 LYS 11 96.857 17.944 14.155 11 HZ1 LYS 11 HZ1 LYS 11 96.725 15.049 14.625 12 HZ2 LYS 11 HZ2 LYS 11 96.201 16.098 15.852 13 HZ3 LYS 11 HZ3 LYS 11 95.472 16.149 14.317 No H/Q in entry = 13 In of MODEL 11 1 H GLY 12 H GLY 12 101.670 15.366 10.368 2 HA2 GLY 12 HA2 GLY 12 102.956 14.331 8.751 3 HA3 GLY 12 HA3 GLY 12 102.652 12.814 9.563 No H/Q in entry = 3 In of MODEL 11 1 H GLU 13 H GLU 13 104.269 15.725 10.860 2 HA GLU 13 HA GLU 13 106.907 14.699 10.593 3 HB2 GLU 13 HB2 GLU 13 105.688 16.796 12.392 4 HB3 GLU 13 HB3 GLU 13 107.369 16.305 12.587 5 HG2 GLU 13 HG2 GLU 13 107.836 16.886 10.264 6 HG3 GLU 13 HG3 GLU 13 106.159 17.353 10.022 No H/Q in entry = 6 In of MODEL 11 1 H ALA 14 H ALA 14 104.377 14.329 12.926 2 HA ALA 14 HA ALA 14 105.931 12.992 14.896 3 HB1 ALA 14 HB1 ALA 14 103.787 14.308 15.289 4 HB2 ALA 14 HB2 ALA 14 102.935 12.917 14.619 5 HB3 ALA 14 HB3 ALA 14 103.897 12.742 16.088 No H/Q in entry = 5 In of MODEL 11 1 H PHE 15 H PHE 15 103.917 12.173 12.207 2 HA PHE 15 HA PHE 15 103.526 9.425 12.659 3 HB2 PHE 15 HB2 PHE 15 102.366 10.931 11.016 4 HB3 PHE 15 HB3 PHE 15 103.811 10.865 10.028 5 HD1 PHE 15 HD1 PHE 15 104.259 9.037 8.634 6 HD2 PHE 15 HD2 PHE 15 101.123 8.804 11.549 7 HE1 PHE 15 HE1 PHE 15 103.388 6.983 7.550 8 HE2 PHE 15 HE2 PHE 15 100.281 6.727 10.487 9 HZ PHE 15 HZ PHE 15 101.416 5.833 8.480 No H/Q in entry = 9 In of MODEL 11 1 H LEU 16 H LEU 16 105.972 11.114 10.684 2 HA LEU 16 HA LEU 16 107.386 8.688 10.092 3 HB2 LEU 16 HB2 LEU 16 108.231 11.586 9.891 4 HB3 LEU 16 HB3 LEU 16 109.265 10.248 9.432 5 HG LEU 16 HG LEU 16 107.145 9.532 7.974 6 HD11 LEU 16 HD11 LEU 16 106.735 12.481 8.496 7 HD12 LEU 16 HD12 LEU 16 106.233 11.765 6.967 8 HD13 LEU 16 HD13 LEU 16 105.544 11.185 8.486 9 HD21 LEU 16 HD21 LEU 16 109.258 11.587 7.365 10 HD22 LEU 16 HD22 LEU 16 109.215 9.882 6.952 11 HD23 LEU 16 HD23 LEU 16 108.148 11.006 6.127 No H/Q in entry = 11 In of MODEL 11 1 H THR 17 H THR 17 107.704 11.236 12.473 2 HA THR 17 HA THR 17 110.140 10.387 13.588 3 HB THR 17 HB THR 17 107.848 11.772 14.962 4 HG1 THR 17 HG1 THR 17 108.929 12.748 13.058 5 HG21 THR 17 HG21 THR 17 110.722 11.322 15.705 6 HG22 THR 17 HG22 THR 17 109.709 12.561 16.451 7 HG23 THR 17 HG23 THR 17 109.279 10.862 16.612 No H/Q in entry = 7 In of MODEL 11 1 H GLU 18 H GLU 18 106.806 9.549 14.240 2 HA GLU 18 HA GLU 18 107.404 7.785 16.370 3 HB2 GLU 18 HB2 GLU 18 105.274 8.993 16.203 4 HB3 GLU 18 HB3 GLU 18 104.895 8.074 14.754 5 HG2 GLU 18 HG2 GLU 18 104.858 6.001 15.984 6 HG3 GLU 18 HG3 GLU 18 105.463 6.797 17.436 No H/Q in entry = 6 In of MODEL 11 1 H ASN 19 H ASN 19 106.441 7.310 12.971 2 HA ASN 19 HA ASN 19 106.312 4.520 13.031 3 HB2 ASN 19 HB2 ASN 19 105.499 5.857 11.150 4 HB3 ASN 19 HB3 ASN 19 107.160 6.238 10.712 5 HD21 ASN 19 HD21 ASN 19 107.635 4.997 8.924 6 HD22 ASN 19 HD22 ASN 19 107.301 3.346 8.769 No H/Q in entry = 6 In of MODEL 11 1 H LYS 20 H LYS 20 109.136 6.533 12.252 2 HA LYS 20 HA LYS 20 110.815 4.370 11.591 3 HB2 LYS 20 HB2 LYS 20 112.696 5.854 12.044 4 HB3 LYS 20 HB3 LYS 20 111.449 6.729 11.169 5 HG2 LYS 20 HG2 LYS 20 110.594 7.433 13.506 6 HG3 LYS 20 HG3 LYS 20 112.147 6.861 14.103 7 HD2 LYS 20 HD2 LYS 20 111.861 8.916 11.893 8 HD3 LYS 20 HD3 LYS 20 112.097 9.324 13.592 9 HE2 LYS 20 HE2 LYS 20 114.181 7.839 13.506 10 HE3 LYS 20 HE3 LYS 20 113.991 7.894 11.759 11 HZ1 LYS 20 HZ1 LYS 20 113.778 10.464 13.008 12 HZ2 LYS 20 HZ2 LYS 20 115.298 9.736 13.225 13 HZ3 LYS 20 HZ3 LYS 20 114.694 9.985 11.660 No H/Q in entry = 13 In of MODEL 11 1 H ASN 21 H ASN 21 109.730 5.666 14.614 2 HA ASN 21 HA ASN 21 111.614 4.179 16.235 3 HB2 ASN 21 HB2 ASN 21 109.296 5.993 16.805 4 HB3 ASN 21 HB3 ASN 21 110.010 5.029 18.088 5 HD21 ASN 21 HD21 ASN 21 110.904 7.434 15.568 6 HD22 ASN 21 HD22 ASN 21 112.212 8.076 16.440 No H/Q in entry = 6 In of MODEL 11 1 H LYS 22 H LYS 22 108.348 3.737 15.053 2 HA LYS 22 HA LYS 22 107.501 1.850 16.878 3 HB2 LYS 22 HB2 LYS 22 106.821 2.320 14.025 4 HB3 LYS 22 HB3 LYS 22 106.028 1.047 14.934 5 HG2 LYS 22 HG2 LYS 22 105.633 3.051 16.683 6 HG3 LYS 22 HG3 LYS 22 105.810 4.022 15.235 7 HD2 LYS 22 HD2 LYS 22 103.860 1.721 15.515 8 HD3 LYS 22 HD3 LYS 22 103.440 3.422 15.708 9 HE2 LYS 22 HE2 LYS 22 104.044 3.895 13.414 10 HE3 LYS 22 HE3 LYS 22 104.683 2.265 13.205 11 HZ1 LYS 22 HZ1 LYS 22 101.959 2.370 14.146 12 HZ2 LYS 22 HZ2 LYS 22 102.181 3.004 12.585 13 HZ3 LYS 22 HZ3 LYS 22 102.654 1.412 12.928 No H/Q in entry = 13 In of MODEL 11 1 HA PRO 23 HA PRO 23 109.979 -1.785 16.150 2 HB2 PRO 23 HB2 PRO 23 107.488 -3.412 16.362 3 HB3 PRO 23 HB3 PRO 23 108.997 -3.536 17.285 4 HG2 PRO 23 HG2 PRO 23 106.798 -2.499 18.368 5 HG3 PRO 23 HG3 PRO 23 108.410 -1.852 18.732 6 HD2 PRO 23 HD2 PRO 23 106.281 -0.709 16.951 7 HD3 PRO 23 HD3 PRO 23 107.433 0.107 18.030 No H/Q in entry = 7 In of MODEL 11 1 H GLY 24 H GLY 24 110.545 -3.228 14.541 2 HA2 GLY 24 HA2 GLY 24 108.755 -4.020 12.445 3 HA3 GLY 24 HA3 GLY 24 110.460 -4.422 12.560 No H/Q in entry = 3 In of MODEL 11 1 H VAL 25 H VAL 25 109.643 -1.082 12.792 2 HA VAL 25 HA VAL 25 109.827 -0.601 9.932 3 HB VAL 25 HB VAL 25 109.799 1.387 12.210 No H/Q in entry = 3 In of MODEL 11 1 H VAL 26 H VAL 26 111.518 0.141 8.828 2 HA VAL 26 HA VAL 26 114.052 0.768 10.255 3 HB VAL 26 HB VAL 26 113.632 -0.754 7.674 No H/Q in entry = 3 In of MODEL 11 1 H VAL 27 H VAL 27 114.727 2.810 9.857 2 HA VAL 27 HA VAL 27 113.418 4.274 7.680 3 HB VAL 27 HB VAL 27 113.161 5.260 9.898 No H/Q in entry = 3 In of MODEL 11 1 H LEU 28 H LEU 28 114.382 5.492 6.223 2 HA LEU 28 HA LEU 28 117.241 4.885 5.780 3 HB2 LEU 28 HB2 LEU 28 115.071 5.573 3.798 4 HB3 LEU 28 HB3 LEU 28 116.729 5.238 3.378 5 HG LEU 28 HG LEU 28 114.890 3.282 4.756 6 HD11 LEU 28 HD11 LEU 28 114.338 3.911 2.367 7 HD12 LEU 28 HD12 LEU 28 115.917 3.294 1.912 8 HD13 LEU 28 HD13 LEU 28 114.718 2.210 2.603 9 HD21 LEU 28 HD21 LEU 28 117.750 3.168 3.764 10 HD22 LEU 28 HD22 LEU 28 117.129 2.710 5.350 11 HD23 LEU 28 HD23 LEU 28 116.779 1.714 3.945 No H/Q in entry = 11 In of MODEL 11 1 HA PRO 29 HA PRO 29 118.366 9.110 5.824 2 HB2 PRO 29 HB2 PRO 29 119.545 8.937 3.105 3 HB3 PRO 29 HB3 PRO 29 120.326 9.382 4.632 4 HG2 PRO 29 HG2 PRO 29 120.789 7.028 3.530 5 HG3 PRO 29 HG3 PRO 29 120.580 7.165 5.290 6 HD2 PRO 29 HD2 PRO 29 118.609 6.281 3.218 7 HD3 PRO 29 HD3 PRO 29 118.983 5.531 4.781 No H/Q in entry = 7 In of MODEL 11 1 H SER 30 H SER 30 116.807 7.981 2.894 2 HA SER 30 HA SER 30 116.080 10.521 1.855 3 HB2 SER 30 HB2 SER 30 114.512 7.985 1.386 4 HB3 SER 30 HB3 SER 30 114.783 9.339 0.286 5 HG SER 30 HG SER 30 116.446 7.208 0.980 No H/Q in entry = 5 In of MODEL 11 1 H GLY 31 H GLY 31 115.033 8.710 4.494 2 HA2 GLY 31 HA2 GLY 31 112.771 10.524 4.939 3 HA3 GLY 31 HA3 GLY 31 113.533 9.498 6.147 No H/Q in entry = 3 In of MODEL 11 1 H LEU 32 H LEU 32 113.277 7.664 3.434 2 HA LEU 32 HA LEU 32 110.502 6.935 3.679 3 HB2 LEU 32 HB2 LEU 32 111.697 6.838 1.495 4 HB3 LEU 32 HB3 LEU 32 112.748 5.598 2.134 5 HG LEU 32 HG LEU 32 110.758 4.890 0.632 6 HD11 LEU 32 HD11 LEU 32 112.151 3.364 2.034 7 HD12 LEU 32 HD12 LEU 32 110.913 3.472 3.268 8 HD13 LEU 32 HD13 LEU 32 110.526 2.801 1.697 9 HD21 LEU 32 HD21 LEU 32 109.103 6.257 1.860 10 HD22 LEU 32 HD22 LEU 32 108.624 4.580 1.683 11 HD23 LEU 32 HD23 LEU 32 109.222 5.159 3.223 No H/Q in entry = 11 In of MODEL 11 1 H GLN 33 H GLN 33 109.714 5.280 4.892 2 HA GLN 33 HA GLN 33 111.648 3.557 6.332 3 HB2 GLN 33 HB2 GLN 33 109.005 4.694 7.251 4 HB3 GLN 33 HB3 GLN 33 109.964 3.539 8.145 5 HG2 GLN 33 HG2 GLN 33 110.941 5.372 9.089 6 HG3 GLN 33 HG3 GLN 33 111.803 5.477 7.586 7 HE21 GLN 33 HE21 GLN 33 111.452 7.790 8.993 8 HE22 GLN 33 HE22 GLN 33 110.360 8.768 8.144 No H/Q in entry = 8 In of MODEL 11 1 H TYR 34 H TYR 34 111.196 1.406 6.500 2 HA TYR 34 HA TYR 34 108.673 0.419 5.394 3 HB2 TYR 34 HB2 TYR 34 109.776 -1.285 4.069 4 HB3 TYR 34 HB3 TYR 34 110.265 0.314 3.528 5 HD1 TYR 34 HD1 TYR 34 111.262 -2.542 5.648 6 HD2 TYR 34 HD2 TYR 34 112.559 0.986 3.606 7 HE1 TYR 34 HE1 TYR 34 113.620 -3.170 6.090 8 HE2 TYR 34 HE2 TYR 34 114.917 0.369 4.043 9 HH TYR 34 HH TYR 34 116.298 -1.225 4.789 No H/Q in entry = 9 In of MODEL 11 1 H LYS 35 H LYS 35 107.909 -1.393 6.193 2 HA LYS 35 HA LYS 35 109.427 -2.673 8.362 3 HB2 LYS 35 HB2 LYS 35 107.698 -1.164 9.218 4 HB3 LYS 35 HB3 LYS 35 106.475 -2.034 8.330 5 HG2 LYS 35 HG2 LYS 35 108.194 -3.708 10.022 6 HG3 LYS 35 HG3 LYS 35 107.233 -2.559 10.927 7 HD2 LYS 35 HD2 LYS 35 105.215 -3.392 9.747 8 HD3 LYS 35 HD3 LYS 35 106.217 -4.609 8.953 9 HE2 LYS 35 HE2 LYS 35 105.123 -5.526 10.965 10 HE3 LYS 35 HE3 LYS 35 106.870 -5.500 11.139 11 HZ1 LYS 35 HZ1 LYS 35 105.515 -3.102 12.010 12 HZ2 LYS 35 HZ2 LYS 35 105.164 -4.486 12.931 13 HZ3 LYS 35 HZ3 LYS 35 106.773 -3.967 12.751 No H/Q in entry = 13 In of MODEL 11 1 H VAL 36 H VAL 36 109.494 -4.787 8.266 2 HA VAL 36 HA VAL 36 108.164 -6.068 5.992 3 HB VAL 36 HB VAL 36 110.489 -6.506 6.173 No H/Q in entry = 3 In of MODEL 11 1 H ILE 37 H ILE 37 106.151 -6.608 6.327 2 HA ILE 37 HA ILE 37 105.111 -7.496 8.842 3 HB ILE 37 HB ILE 37 103.871 -8.042 6.141 4 HD11 ILE 37 HD11 ILE 37 104.156 -5.604 8.835 5 HD12 ILE 37 HD12 ILE 37 104.044 -4.168 7.856 6 HD13 ILE 37 HD13 ILE 37 102.590 -5.053 8.299 No H/Q in entry = 6 In of MODEL 11 1 H ASN 38 H ASN 38 106.151 -9.006 5.866 2 HA ASN 38 HA ASN 38 106.458 -11.591 7.239 3 HB2 ASN 38 HB2 ASN 38 105.056 -11.107 4.624 4 HB3 ASN 38 HB3 ASN 38 105.532 -12.685 5.186 5 HD21 ASN 38 HD21 ASN 38 103.458 -9.897 6.035 6 HD22 ASN 38 HD22 ASN 38 102.375 -10.796 6.985 No H/Q in entry = 6 In of MODEL 11 1 H SER 39 H SER 39 108.443 -12.399 6.822 2 HA SER 39 HA SER 39 110.099 -11.127 4.776 3 HB2 SER 39 HB2 SER 39 111.929 -12.206 5.789 4 HB3 SER 39 HB3 SER 39 110.912 -11.659 7.118 5 HG SER 39 HG SER 39 110.590 -13.666 7.651 No H/Q in entry = 5 In of MODEL 11 1 H GLY 40 H GLY 40 110.419 -11.975 2.817 2 HA2 GLY 40 HA2 GLY 40 109.437 -13.494 1.166 3 HA3 GLY 40 HA3 GLY 40 109.662 -14.790 2.328 No H/Q in entry = 3 In of MODEL 11 1 H ASN 41 H ASN 41 111.953 -12.208 1.690 2 HA ASN 41 HA ASN 41 114.084 -12.219 0.838 3 HB2 ASN 41 HB2 ASN 41 114.007 -15.101 1.735 4 HB3 ASN 41 HB3 ASN 41 115.454 -14.135 1.444 5 HD21 ASN 41 HD21 ASN 41 113.164 -12.049 2.702 6 HD22 ASN 41 HD22 ASN 41 113.591 -12.139 4.343 No H/Q in entry = 6 In of MODEL 11 1 H GLY 42 H GLY 42 111.852 -12.843 -0.939 2 HA2 GLY 42 HA2 GLY 42 111.373 -13.966 -2.931 3 HA3 GLY 42 HA3 GLY 42 112.915 -14.795 -2.827 No H/Q in entry = 3 In of MODEL 11 1 H VAL 43 H VAL 43 111.937 -13.702 -5.113 2 HA VAL 43 HA VAL 43 114.073 -12.020 -5.949 3 HB VAL 43 HB VAL 43 113.022 -12.055 -8.123 No H/Q in entry = 3 In of MODEL 11 1 H LYS 44 H LYS 44 113.222 -10.100 -7.446 2 HA LYS 44 HA LYS 44 111.083 -8.529 -6.738 3 HB2 LYS 44 HB2 LYS 44 111.840 -6.892 -5.189 4 HB3 LYS 44 HB3 LYS 44 112.188 -8.429 -4.471 5 HG2 LYS 44 HG2 LYS 44 114.369 -7.159 -6.088 6 HG3 LYS 44 HG3 LYS 44 113.995 -6.459 -4.532 7 HD2 LYS 44 HD2 LYS 44 114.303 -9.435 -4.624 8 HD3 LYS 44 HD3 LYS 44 115.765 -8.474 -4.799 9 HE2 LYS 44 HE2 LYS 44 115.449 -7.446 -2.654 10 HE3 LYS 44 HE3 LYS 44 113.801 -8.027 -2.530 11 HZ1 LYS 44 HZ1 LYS 44 115.553 -10.190 -2.977 12 HZ2 LYS 44 HZ2 LYS 44 116.117 -9.275 -1.662 13 HZ3 LYS 44 HZ3 LYS 44 114.542 -9.902 -1.652 No H/Q in entry = 13 In of MODEL 11 1 HA PRO 45 HA PRO 45 112.819 -6.422 -10.168 2 HB2 PRO 45 HB2 PRO 45 111.182 -4.249 -10.300 3 HB3 PRO 45 HB3 PRO 45 110.653 -5.888 -10.665 4 HG2 PRO 45 HG2 PRO 45 110.041 -4.192 -8.346 5 HG3 PRO 45 HG3 PRO 45 109.202 -5.609 -8.968 6 HD2 PRO 45 HD2 PRO 45 111.013 -5.489 -6.737 7 HD3 PRO 45 HD3 PRO 45 110.095 -6.888 -7.355 No H/Q in entry = 7 In of MODEL 11 1 H GLY 46 H GLY 46 113.952 -4.709 -11.039 2 HA2 GLY 46 HA2 GLY 46 115.779 -3.236 -10.837 3 HA3 GLY 46 HA3 GLY 46 115.396 -3.030 -9.129 No H/Q in entry = 3 In of MODEL 11 1 H LYS 47 H LYS 47 115.802 -0.767 -10.050 2 HA LYS 47 HA LYS 47 113.483 0.697 -9.888 3 HB2 LYS 47 HB2 LYS 47 114.725 2.619 -10.610 4 HB3 LYS 47 HB3 LYS 47 115.763 1.640 -9.587 5 HG2 LYS 47 HG2 LYS 47 115.792 1.336 -12.603 6 HG3 LYS 47 HG3 LYS 47 116.730 2.584 -11.813 7 HD2 LYS 47 HD2 LYS 47 118.358 1.089 -11.323 8 HD3 LYS 47 HD3 LYS 47 117.236 0.096 -10.420 9 HE2 LYS 47 HE2 LYS 47 118.277 -1.191 -12.194 10 HE3 LYS 47 HE3 LYS 47 116.562 -1.000 -12.550 11 HZ1 LYS 47 HZ1 LYS 47 118.519 0.940 -13.586 12 HZ2 LYS 47 HZ2 LYS 47 118.295 -0.542 -14.386 13 HZ3 LYS 47 HZ3 LYS 47 116.993 0.532 -14.200 No H/Q in entry = 13 In of MODEL 11 1 H SER 48 H SER 48 114.779 -0.967 -12.571 2 HA SER 48 HA SER 48 112.951 0.469 -14.411 3 HB2 SER 48 HB2 SER 48 115.469 -1.115 -14.823 4 HB3 SER 48 HB3 SER 48 114.387 -0.756 -16.167 5 HG SER 48 HG SER 48 116.051 0.827 -15.831 No H/Q in entry = 5 In of MODEL 11 1 H ASP 49 H ASP 49 113.131 -2.493 -12.714 2 HA ASP 49 HA ASP 49 111.750 -4.028 -14.800 3 HB2 ASP 49 HB2 ASP 49 112.484 -4.667 -11.970 4 HB3 ASP 49 HB3 ASP 49 111.614 -5.769 -13.005 No H/Q in entry = 4 In of MODEL 11 1 H THR 50 H THR 50 109.633 -5.139 -14.121 2 HA THR 50 HA THR 50 107.901 -3.116 -12.848 3 HB THR 50 HB THR 50 106.956 -5.256 -14.719 4 HG1 THR 50 HG1 THR 50 108.445 -3.157 -15.284 5 HG21 THR 50 HG21 THR 50 105.758 -2.735 -13.617 6 HG22 THR 50 HG22 THR 50 105.118 -3.573 -15.030 7 HG23 THR 50 HG23 THR 50 105.167 -4.405 -13.477 No H/Q in entry = 7 In of MODEL 11 1 H VAL 51 H VAL 51 106.251 -3.763 -11.464 2 HA VAL 51 HA VAL 51 106.736 -6.387 -10.183 3 HB VAL 51 HB VAL 51 107.680 -4.310 -9.049 No H/Q in entry = 3 In of MODEL 11 1 H THR 52 H THR 52 104.980 -7.215 -8.868 2 HA THR 52 HA THR 52 102.295 -6.158 -9.634 3 HB THR 52 HB THR 52 103.112 -9.055 -9.337 4 HG1 THR 52 HG1 THR 52 102.301 -8.833 -11.672 5 HG21 THR 52 HG21 THR 52 100.502 -7.655 -9.743 6 HG22 THR 52 HG22 THR 52 100.758 -9.235 -10.473 7 HG23 THR 52 HG23 THR 52 100.885 -9.058 -8.737 No H/Q in entry = 7 In of MODEL 11 1 H VAL 53 H VAL 53 101.277 -5.476 -7.770 2 HA VAL 53 HA VAL 53 101.738 -6.994 -5.270 3 HB VAL 53 HB VAL 53 102.269 -4.901 -4.149 No H/Q in entry = 3 In of MODEL 11 1 H GLU 54 H GLU 54 100.313 -6.361 -3.480 2 HA GLU 54 HA GLU 54 97.830 -4.918 -4.322 3 HB2 GLU 54 HB2 GLU 54 97.776 -6.890 -2.025 4 HB3 GLU 54 HB3 GLU 54 96.465 -6.222 -2.975 5 HG2 GLU 54 HG2 GLU 54 96.641 -7.758 -4.625 6 HG3 GLU 54 HG3 GLU 54 98.368 -7.907 -4.493 No H/Q in entry = 6 In of MODEL 11 1 H TYR 55 H TYR 55 97.010 -3.405 -2.619 2 HA TYR 55 HA TYR 55 98.601 -3.176 -0.213 3 HB2 TYR 55 HB2 TYR 55 99.425 -0.891 -0.872 4 HB3 TYR 55 HB3 TYR 55 100.103 -2.206 -1.835 5 HD1 TYR 55 HD1 TYR 55 97.557 0.491 -1.808 6 HD2 TYR 55 HD2 TYR 55 99.538 -2.492 -4.151 7 HE1 TYR 55 HE1 TYR 55 96.533 1.433 -3.852 8 HE2 TYR 55 HE2 TYR 55 98.524 -1.549 -6.196 9 HH TYR 55 HH TYR 55 96.055 0.913 -6.069 No H/Q in entry = 9 In of MODEL 11 1 H THR 56 H THR 56 98.056 -1.334 1.153 2 HA THR 56 HA THR 56 95.474 -0.091 0.574 3 HB THR 56 HB THR 56 96.199 -1.475 3.098 4 HG1 THR 56 HG1 THR 56 94.533 -2.571 2.539 5 HG21 THR 56 HG21 THR 56 94.257 0.832 2.838 6 HG22 THR 56 HG22 THR 56 94.357 -0.240 4.233 7 HG23 THR 56 HG23 THR 56 95.709 0.814 3.834 No H/Q in entry = 7 In of MODEL 11 1 H GLY 57 H GLY 57 95.423 2.048 0.704 2 HA2 GLY 57 HA2 GLY 57 96.916 3.987 0.492 3 HA3 GLY 57 HA3 GLY 57 97.847 3.348 1.837 No H/Q in entry = 3 In of MODEL 11 1 H ARG 58 H ARG 58 97.648 4.905 3.388 2 HA ARG 58 HA ARG 58 95.053 6.122 3.827 3 HB2 ARG 58 HB2 ARG 58 94.688 5.407 6.006 4 HB3 ARG 58 HB3 ARG 58 95.186 3.946 5.164 5 HG2 ARG 58 HG2 ARG 58 97.397 4.031 6.088 6 HG3 ARG 58 HG3 ARG 58 97.167 5.653 6.724 7 HD2 ARG 58 HD2 ARG 58 96.849 4.383 8.628 8 HD3 ARG 58 HD3 ARG 58 95.201 4.551 8.056 9 HE ARG 58 HE ARG 58 96.026 2.256 6.849 10 HH11 ARG 58 HH11 ARG 58 96.053 3.476 10.082 11 HH12 ARG 58 HH12 ARG 58 95.932 1.918 10.825 12 HH21 ARG 58 HH21 ARG 58 95.850 0.200 7.812 13 HH22 ARG 58 HH22 ARG 58 95.802 0.061 9.538 No H/Q in entry = 13 In of MODEL 11 1 H LEU 59 H LEU 59 95.067 7.723 5.552 2 HA LEU 59 HA LEU 59 97.400 9.442 5.305 3 HB2 LEU 59 HB2 LEU 59 94.591 9.680 6.134 4 HB3 LEU 59 HB3 LEU 59 95.662 10.727 7.029 5 HG LEU 59 HG LEU 59 96.557 11.441 4.688 6 HD11 LEU 59 HD11 LEU 59 93.890 10.244 3.953 7 HD12 LEU 59 HD12 LEU 59 94.837 11.278 2.922 8 HD13 LEU 59 HD13 LEU 59 95.440 9.697 3.389 9 HD21 LEU 59 HD21 LEU 59 95.042 12.775 6.288 10 HD22 LEU 59 HD22 LEU 59 95.020 13.222 4.591 11 HD23 LEU 59 HD23 LEU 59 93.712 12.270 5.256 No H/Q in entry = 11 In of MODEL 11 1 H ILE 60 H ILE 60 98.239 10.534 7.213 2 HA ILE 60 HA ILE 60 99.275 8.761 9.145 3 HB ILE 60 HB ILE 60 100.210 10.652 10.200 4 HD11 ILE 60 HD11 ILE 60 98.729 12.815 7.548 5 HD12 ILE 60 HD12 ILE 60 97.333 11.906 8.125 6 HD13 ILE 60 HD13 ILE 60 97.548 13.566 8.628 No H/Q in entry = 6 In of MODEL 11 1 H ASP 61 H ASP 61 96.425 10.569 8.951 2 HA ASP 61 HA ASP 61 95.761 10.348 11.789 3 HB2 ASP 61 HB2 ASP 61 95.436 12.446 10.416 4 HB3 ASP 61 HB3 ASP 61 94.121 11.603 9.591 No H/Q in entry = 4 In of MODEL 11 1 H GLY 62 H GLY 62 95.590 8.289 9.299 2 HA2 GLY 62 HA2 GLY 62 93.351 6.847 10.504 3 HA3 GLY 62 HA3 GLY 62 94.515 6.216 9.366 No H/Q in entry = 3 In of MODEL 11 1 H THR 63 H THR 63 93.396 9.161 8.168 2 HA THR 63 HA THR 63 90.883 8.321 7.096 3 HB THR 63 HB THR 63 92.655 10.384 5.807 4 HG1 THR 63 HG1 THR 63 91.996 11.812 7.316 5 HG21 THR 63 HG21 THR 63 90.465 9.558 4.795 6 HG22 THR 63 HG22 THR 63 89.681 10.342 6.156 7 HG23 THR 63 HG23 THR 63 90.625 11.302 5.023 No H/Q in entry = 7 In of MODEL 11 1 H VAL 64 H VAL 64 90.838 6.465 5.943 2 HA VAL 64 HA VAL 64 92.943 5.765 4.120 3 HB VAL 64 HB VAL 64 90.219 4.537 4.500 No H/Q in entry = 3 In of MODEL 11 1 H PHE 65 H PHE 65 93.227 6.349 2.158 2 HA PHE 65 HA PHE 65 90.937 7.592 0.733 3 HB2 PHE 65 HB2 PHE 65 92.406 9.097 -0.298 4 HB3 PHE 65 HB3 PHE 65 92.790 9.115 1.418 5 HD1 PHE 65 HD1 PHE 65 94.740 7.763 2.252 6 HD2 PHE 65 HD2 PHE 65 94.083 8.553 -1.911 7 HE1 PHE 65 HE1 PHE 65 97.135 7.311 1.798 8 HE2 PHE 65 HE2 PHE 65 96.479 8.088 -2.377 9 HZ PHE 65 HZ PHE 65 98.010 7.487 -0.510 No H/Q in entry = 9 In of MODEL 11 1 H ASP 66 H ASP 66 93.088 5.026 0.751 2 HA ASP 66 HA ASP 66 92.114 4.166 -1.828 3 HB2 ASP 66 HB2 ASP 66 94.115 5.600 -2.337 4 HB3 ASP 66 HB3 ASP 66 95.096 4.422 -1.477 No H/Q in entry = 4 In of MODEL 11 1 H SER 67 H SER 67 92.405 1.978 -2.254 2 HA SER 67 HA SER 67 93.915 0.347 -0.478 3 HB2 SER 67 HB2 SER 67 92.137 -0.886 0.537 4 HB3 SER 67 HB3 SER 67 91.921 0.823 0.895 5 HG SER 67 HG SER 67 90.487 -0.863 -0.830 No H/Q in entry = 5 In of MODEL 11 1 H THR 68 H THR 68 94.103 -1.814 -1.062 2 HA THR 68 HA THR 68 92.772 -2.727 -3.504 3 HB THR 68 HB THR 68 95.780 -2.434 -3.338 4 HG1 THR 68 HG1 THR 68 95.138 -0.523 -4.020 5 HG21 THR 68 HG21 THR 68 93.954 -3.759 -5.329 6 HG22 THR 68 HG22 THR 68 95.567 -3.214 -5.762 7 HG23 THR 68 HG23 THR 68 95.363 -4.434 -4.516 No H/Q in entry = 7 In of MODEL 11 1 H GLU 69 H GLU 69 95.215 -3.315 -1.014 2 HA GLU 69 HA GLU 69 95.298 -6.112 -1.317 3 HB2 GLU 69 HB2 GLU 69 96.267 -6.158 0.927 4 HB3 GLU 69 HB3 GLU 69 97.038 -5.008 -0.152 5 HG2 GLU 69 HG2 GLU 69 96.840 -3.714 1.729 6 HG3 GLU 69 HG3 GLU 69 95.379 -3.314 0.856 No H/Q in entry = 6 In of MODEL 11 1 H LYS 70 H LYS 70 93.053 -3.988 0.224 2 HA LYS 70 HA LYS 70 91.798 -5.782 1.938 3 HB2 LYS 70 HB2 LYS 70 90.581 -3.555 0.311 4 HB3 LYS 70 HB3 LYS 70 89.800 -4.345 1.682 5 HG2 LYS 70 HG2 LYS 70 92.480 -2.981 1.815 6 HG3 LYS 70 HG3 LYS 70 90.971 -2.179 2.247 7 HD2 LYS 70 HD2 LYS 70 90.629 -4.202 3.864 8 HD3 LYS 70 HD3 LYS 70 92.354 -4.483 3.630 9 HE2 LYS 70 HE2 LYS 70 92.881 -2.254 4.393 10 HE3 LYS 70 HE3 LYS 70 91.168 -1.865 4.563 11 HZ1 LYS 70 HZ1 LYS 70 90.984 -3.662 6.190 12 HZ2 LYS 70 HZ2 LYS 70 92.646 -3.972 6.050 13 HZ3 LYS 70 HZ3 LYS 70 92.110 -2.490 6.685 No H/Q in entry = 13 In of MODEL 11 1 H THR 71 H THR 71 91.400 -5.090 -1.454 2 HA THR 71 HA THR 71 89.417 -7.132 -1.904 3 HB THR 71 HB THR 71 90.365 -6.569 -4.397 4 HG1 THR 71 HG1 THR 71 91.113 -4.474 -2.673 5 HG21 THR 71 HG21 THR 71 88.047 -6.204 -3.568 6 HG22 THR 71 HG22 THR 71 88.580 -4.706 -2.805 7 HG23 THR 71 HG23 THR 71 88.624 -4.866 -4.561 No H/Q in entry = 7 In of MODEL 11 1 H GLY 72 H GLY 72 92.894 -6.768 -2.053 2 HA2 GLY 72 HA2 GLY 72 93.266 -9.619 -2.015 3 HA3 GLY 72 HA3 GLY 72 94.523 -8.397 -1.902 No H/Q in entry = 3 In of MODEL 11 1 H LYS 73 H LYS 73 93.239 -7.165 -4.419 2 HA LYS 73 HA LYS 73 94.185 -9.127 -6.398 3 HB2 LYS 73 HB2 LYS 73 92.331 -6.781 -6.498 4 HB3 LYS 73 HB3 LYS 73 93.149 -7.260 -7.982 5 HG2 LYS 73 HG2 LYS 73 91.250 -8.541 -8.178 6 HG3 LYS 73 HG3 LYS 73 92.245 -9.687 -7.298 7 HD2 LYS 73 HD2 LYS 73 91.230 -8.611 -5.162 8 HD3 LYS 73 HD3 LYS 73 90.030 -7.927 -6.254 9 HE2 LYS 73 HE2 LYS 73 89.252 -10.038 -5.291 10 HE3 LYS 73 HE3 LYS 73 89.460 -10.194 -7.035 11 HZ1 LYS 73 HZ1 LYS 73 91.899 -10.836 -5.968 12 HZ2 LYS 73 HZ2 LYS 73 90.788 -11.570 -4.918 13 HZ3 LYS 73 HZ3 LYS 73 90.749 -11.928 -6.578 No H/Q in entry = 13 In of MODEL 11 1 HA PRO 74 HA PRO 74 97.954 -6.725 -6.431 2 HB2 PRO 74 HB2 PRO 74 98.618 -8.421 -8.779 3 HB3 PRO 74 HB3 PRO 74 99.534 -8.123 -7.291 4 HG2 PRO 74 HG2 PRO 74 98.300 -10.429 -7.677 5 HG3 PRO 74 HG3 PRO 74 98.322 -9.657 -6.089 6 HD2 PRO 74 HD2 PRO 74 96.129 -9.711 -8.117 7 HD3 PRO 74 HD3 PRO 74 96.085 -9.953 -6.363 No H/Q in entry = 7 In of MODEL 11 1 H ALA 75 H ALA 75 98.939 -5.181 -7.642 2 HA ALA 75 HA ALA 75 97.637 -4.341 -10.168 3 HB1 ALA 75 HB1 ALA 75 97.225 -2.905 -8.021 4 HB2 ALA 75 HB2 ALA 75 97.678 -2.097 -9.520 5 HB3 ALA 75 HB3 ALA 75 98.888 -2.380 -8.273 No H/Q in entry = 5 In of MODEL 11 1 H THR 76 H THR 76 99.136 -3.409 -11.728 2 HA THR 76 HA THR 76 101.934 -4.186 -11.204 3 HB THR 76 HB THR 76 101.226 -5.344 -13.080 4 HG1 THR 76 HG1 THR 76 103.022 -3.601 -13.332 5 HG21 THR 76 HG21 THR 76 99.836 -2.790 -13.922 6 HG22 THR 76 HG22 THR 76 99.936 -4.238 -14.924 7 HG23 THR 76 HG23 THR 76 99.066 -4.286 -13.391 No H/Q in entry = 7 In of MODEL 11 1 H PHE 77 H PHE 77 103.442 -2.742 -10.941 2 HA PHE 77 HA PHE 77 103.159 -0.069 -12.175 3 HB2 PHE 77 HB2 PHE 77 104.319 -0.581 -9.447 4 HB3 PHE 77 HB3 PHE 77 104.175 0.965 -10.224 5 HD1 PHE 77 HD1 PHE 77 102.855 -0.848 -7.711 6 HD2 PHE 77 HD2 PHE 77 101.526 1.250 -11.221 7 HE1 PHE 77 HE1 PHE 77 100.582 -0.592 -6.717 8 HE2 PHE 77 HE2 PHE 77 99.296 1.509 -10.238 9 HZ PHE 77 HZ PHE 77 98.804 0.592 -7.987 No H/Q in entry = 9 In of MODEL 11 1 H GLN 78 H GLN 78 105.069 0.812 -12.809 2 HA GLN 78 HA GLN 78 107.331 -1.027 -12.964 3 HB2 GLN 78 HB2 GLN 78 106.802 1.603 -14.319 4 HB3 GLN 78 HB3 GLN 78 108.331 0.753 -14.427 5 HG2 GLN 78 HG2 GLN 78 107.098 -1.237 -15.269 6 HG3 GLN 78 HG3 GLN 78 105.646 -0.257 -15.315 7 HE21 GLN 78 HE21 GLN 78 108.247 1.714 -15.936 8 HE22 GLN 78 HE22 GLN 78 108.211 1.712 -17.630 No H/Q in entry = 8 In of MODEL 11 1 H VAL 79 H VAL 79 108.989 -0.823 -11.598 2 HA VAL 79 HA VAL 79 108.793 0.740 -9.350 3 HB VAL 79 HB VAL 79 111.406 -0.124 -10.604 No H/Q in entry = 3 In of MODEL 11 1 H SER 80 H SER 80 110.184 1.548 -12.523 2 HA SER 80 HA SER 80 111.467 3.928 -11.616 3 HB2 SER 80 HB2 SER 80 112.402 3.146 -13.598 4 HB3 SER 80 HB3 SER 80 110.829 2.781 -14.300 5 HG SER 80 HG SER 80 112.263 5.134 -14.226 No H/Q in entry = 5 In of MODEL 11 1 H GLN 81 H GLN 81 108.277 3.137 -12.701 2 HA GLN 81 HA GLN 81 107.572 5.991 -12.963 3 HB2 GLN 81 HB2 GLN 81 105.804 3.634 -13.579 4 HB3 GLN 81 HB3 GLN 81 105.648 5.307 -14.099 5 HG2 GLN 81 HG2 GLN 81 107.903 3.479 -14.904 6 HG3 GLN 81 HG3 GLN 81 106.486 3.915 -15.892 7 HE21 GLN 81 HE21 GLN 81 109.650 4.645 -15.707 8 HE22 GLN 81 HE22 GLN 81 109.620 6.299 -16.090 No H/Q in entry = 8 In of MODEL 11 1 H VAL 82 H VAL 82 107.588 3.658 -10.495 2 HA VAL 82 HA VAL 82 105.046 4.425 -9.359 3 HB VAL 82 HB VAL 82 106.156 2.110 -9.278 No H/Q in entry = 3 In of MODEL 11 1 H ILE 83 H ILE 83 104.895 5.129 -7.009 2 HA ILE 83 HA ILE 83 105.961 7.671 -6.785 3 HB ILE 83 HB ILE 83 105.535 6.546 -4.103 4 HD11 ILE 83 HD11 ILE 83 103.324 5.895 -3.209 5 HD12 ILE 83 HD12 ILE 83 102.288 6.806 -4.309 6 HD13 ILE 83 HD13 ILE 83 102.192 5.048 -4.254 No H/Q in entry = 6 In of MODEL 11 1 HA PRO 84 HA PRO 84 110.270 7.273 -5.858 2 HB2 PRO 84 HB2 PRO 84 109.859 9.108 -3.537 3 HB3 PRO 84 HB3 PRO 84 111.027 9.228 -4.865 4 HG2 PRO 84 HG2 PRO 84 108.868 10.783 -4.769 5 HG3 PRO 84 HG3 PRO 84 109.485 10.155 -6.289 6 HD2 PRO 84 HD2 PRO 84 107.112 9.317 -4.769 7 HD3 PRO 84 HD3 PRO 84 107.363 9.306 -6.515 No H/Q in entry = 7 In of MODEL 11 1 H GLY 85 H GLY 85 108.203 7.365 -2.961 2 HA2 GLY 85 HA2 GLY 85 108.252 6.044 -1.076 3 HA3 GLY 85 HA3 GLY 85 109.998 6.039 -1.250 No H/Q in entry = 3 In of MODEL 11 1 H TRP 86 H TRP 86 107.398 4.849 -3.279 2 HA TRP 86 HA TRP 86 107.663 2.080 -2.718 3 HB2 TRP 86 HB2 TRP 86 106.356 3.772 -4.812 4 HB3 TRP 86 HB3 TRP 86 106.539 2.059 -5.146 5 HD1 TRP 86 HD1 TRP 86 105.174 4.163 -2.174 6 HE1 TRP 86 HE1 TRP 86 103.081 3.004 -1.299 7 HE3 TRP 86 HE3 TRP 86 105.098 0.202 -5.297 8 HZ2 TRP 86 HZ2 TRP 86 101.558 0.669 -1.876 9 HZ3 TRP 86 HZ3 TRP 86 103.288 -1.473 -5.119 10 HH2 TRP 86 HH2 TRP 86 101.507 -1.244 -3.420 No H/Q in entry = 10 In of MODEL 11 1 H THR 87 H THR 87 109.196 4.203 -5.100 2 HA THR 87 HA THR 87 110.255 2.409 -6.871 3 HB THR 87 HB THR 87 111.719 4.793 -5.749 4 HG1 THR 87 HG1 THR 87 109.395 4.575 -7.126 5 HG21 THR 87 HG21 THR 87 112.865 3.140 -7.394 6 HG22 THR 87 HG22 THR 87 111.755 3.799 -8.580 7 HG23 THR 87 HG23 THR 87 112.896 4.852 -7.783 No H/Q in entry = 7 In of MODEL 11 1 H GLU 88 H GLU 88 111.830 3.563 -3.899 2 HA GLU 88 HA GLU 88 114.040 1.791 -4.154 3 HB2 GLU 88 HB2 GLU 88 113.882 4.043 -2.888 4 HB3 GLU 88 HB3 GLU 88 113.218 3.085 -1.566 5 HG2 GLU 88 HG2 GLU 88 115.552 3.124 -1.138 6 HG3 GLU 88 HG3 GLU 88 115.267 1.551 -1.882 No H/Q in entry = 6 In of MODEL 11 1 H ALA 89 H ALA 89 111.092 1.696 -2.187 2 HA ALA 89 HA ALA 89 111.771 -0.445 -0.540 3 HB1 ALA 89 HB1 ALA 89 109.083 0.446 -1.556 4 HB2 ALA 89 HB2 ALA 89 109.860 0.890 -0.037 5 HB3 ALA 89 HB3 ALA 89 109.318 -0.763 -0.302 No H/Q in entry = 5 In of MODEL 11 1 H LEU 90 H LEU 90 110.075 -0.596 -3.699 2 HA LEU 90 HA LEU 90 109.487 -3.337 -3.623 3 HB2 LEU 90 HB2 LEU 90 110.196 -1.670 -6.048 4 HB3 LEU 90 HB3 LEU 90 109.346 -3.201 -6.068 5 HG LEU 90 HG LEU 90 108.320 -0.818 -4.538 6 HD11 LEU 90 HD11 LEU 90 107.825 -1.633 -7.389 7 HD12 LEU 90 HD12 LEU 90 106.836 -0.472 -6.531 8 HD13 LEU 90 HD13 LEU 90 108.532 -0.135 -6.834 9 HD21 LEU 90 HD21 LEU 90 107.120 -3.388 -5.505 10 HD22 LEU 90 HD22 LEU 90 107.256 -2.840 -3.853 11 HD23 LEU 90 HD23 LEU 90 106.147 -2.053 -4.967 No H/Q in entry = 11 In of MODEL 11 1 H GLN 91 H GLN 91 112.330 -1.607 -4.760 2 HA GLN 91 HA GLN 91 113.740 -3.798 -5.804 3 HB2 GLN 91 HB2 GLN 91 114.782 -1.231 -4.610 4 HB3 GLN 91 HB3 GLN 91 115.687 -2.322 -5.658 5 HG2 GLN 91 HG2 GLN 91 114.128 -1.944 -7.480 6 HG3 GLN 91 HG3 GLN 91 113.098 -0.974 -6.430 7 HE21 GLN 91 HE21 GLN 91 113.330 1.103 -7.360 8 HE22 GLN 91 HE22 GLN 91 114.824 1.882 -7.563 No H/Q in entry = 8 In of MODEL 11 1 H LEU 92 H LEU 92 113.227 -2.655 -2.571 2 HA LEU 92 HA LEU 92 115.366 -4.400 -1.506 3 HB2 LEU 92 HB2 LEU 92 113.656 -2.341 -0.100 4 HB3 LEU 92 HB3 LEU 92 115.014 -3.218 0.603 5 HG LEU 92 HG LEU 92 115.258 -1.400 -1.797 6 HD11 LEU 92 HD11 LEU 92 115.824 -0.859 1.101 7 HD12 LEU 92 HD12 LEU 92 116.244 0.204 -0.242 8 HD13 LEU 92 HD13 LEU 92 114.555 -0.126 0.123 9 HD21 LEU 92 HD21 LEU 92 117.224 -2.845 -0.050 10 HD22 LEU 92 HD22 LEU 92 117.083 -2.900 -1.806 11 HD23 LEU 92 HD23 LEU 92 117.685 -1.450 -1.017 No H/Q in entry = 11 In of MODEL 11 1 H MET 93 H MET 93 112.034 -4.406 -2.077 2 HA MET 93 HA MET 93 111.392 -6.085 0.219 3 HB2 MET 93 HB2 MET 93 109.778 -4.424 -0.455 4 HB3 MET 93 HB3 MET 93 109.717 -5.109 -2.077 5 HG2 MET 93 HG2 MET 93 108.641 -7.076 -1.333 6 HG3 MET 93 HG3 MET 93 109.120 -6.812 0.341 7 HE1 MET 93 HE1 MET 93 107.521 -5.459 -2.640 8 HE2 MET 93 HE2 MET 93 105.852 -5.784 -2.192 9 HE3 MET 93 HE3 MET 93 106.495 -4.143 -2.101 No H/Q in entry = 9 In of MODEL 11 1 HA PRO 94 HA PRO 94 112.385 -9.651 -2.542 2 HB2 PRO 94 HB2 PRO 94 112.003 -11.239 -0.097 3 HB3 PRO 94 HB3 PRO 94 113.424 -11.138 -1.148 4 HG2 PRO 94 HG2 PRO 94 113.412 -10.066 1.301 5 HG3 PRO 94 HG3 PRO 94 114.246 -9.277 -0.055 6 HD2 PRO 94 HD2 PRO 94 111.555 -8.653 1.106 7 HD3 PRO 94 HD3 PRO 94 112.863 -7.573 0.655 No H/Q in entry = 7 In of MODEL 11 1 H ALA 95 H ALA 95 111.134 -11.196 -3.517 2 HA ALA 95 HA ALA 95 108.355 -10.856 -3.340 3 HB1 ALA 95 HB1 ALA 95 109.955 -12.986 -4.714 4 HB2 ALA 95 HB2 ALA 95 108.207 -12.800 -4.876 5 HB3 ALA 95 HB3 ALA 95 109.281 -11.520 -5.429 No H/Q in entry = 5 In of MODEL 11 1 H GLY 96 H GLY 96 106.749 -11.916 -2.473 2 HA2 GLY 96 HA2 GLY 96 107.286 -14.333 -0.900 3 HA3 GLY 96 HA3 GLY 96 105.707 -13.651 -1.308 No H/Q in entry = 3 In of MODEL 11 1 H SER 97 H SER 97 108.125 -11.414 -0.384 2 HA SER 97 HA SER 97 107.385 -11.422 2.433 3 HB2 SER 97 HB2 SER 97 109.288 -10.125 2.773 4 HB3 SER 97 HB3 SER 97 109.757 -11.002 1.318 5 HG SER 97 HG SER 97 108.783 -8.363 1.590 No H/Q in entry = 5 In of MODEL 11 1 H THR 98 H THR 98 105.953 -10.120 3.314 2 HA THR 98 HA THR 98 104.710 -8.020 1.677 3 HB THR 98 HB THR 98 103.702 -9.349 4.202 4 HG1 THR 98 HG1 THR 98 102.603 -10.638 2.890 5 HG21 THR 98 HG21 THR 98 102.488 -7.358 2.269 6 HG22 THR 98 HG22 THR 98 101.578 -8.262 3.477 7 HG23 THR 98 HG23 THR 98 102.827 -7.129 3.980 No H/Q in entry = 7 In of MODEL 11 1 H TRP 99 H TRP 99 105.488 -6.050 2.020 2 HA TRP 99 HA TRP 99 106.367 -5.350 4.764 3 HB2 TRP 99 HB2 TRP 99 107.268 -4.219 2.114 4 HB3 TRP 99 HB3 TRP 99 107.718 -3.558 3.671 5 HD1 TRP 99 HD1 TRP 99 107.748 -7.297 3.791 6 HE1 TRP 99 HE1 TRP 99 110.140 -8.160 3.664 7 HE3 TRP 99 HE3 TRP 99 110.075 -2.972 2.431 8 HZ2 TRP 99 HZ2 TRP 99 112.764 -7.119 3.071 9 HZ3 TRP 99 HZ3 TRP 99 112.536 -2.935 2.103 10 HH2 TRP 99 HH2 TRP 99 113.879 -4.999 2.424 No H/Q in entry = 10 In of MODEL 11 1 H GLU 100 H GLU 100 106.162 -3.153 5.358 2 HA GLU 100 HA GLU 100 103.929 -1.680 4.120 3 HB2 GLU 100 HB2 GLU 100 104.558 -2.083 7.037 4 HB3 GLU 100 HB3 GLU 100 103.623 -0.699 6.489 5 HG2 GLU 100 HG2 GLU 100 101.966 -2.150 5.501 6 HG3 GLU 100 HG3 GLU 100 102.912 -3.576 5.884 No H/Q in entry = 6 In of MODEL 11 1 H ILE 101 H ILE 101 104.588 0.287 3.393 2 HA ILE 101 HA ILE 101 107.015 1.402 4.563 3 HB ILE 101 HB ILE 101 107.937 1.966 2.541 4 HD11 ILE 101 HD11 ILE 101 107.960 2.693 0.294 5 HD12 ILE 101 HD12 ILE 101 107.235 1.185 -0.248 6 HD13 ILE 101 HD13 ILE 101 106.500 2.716 -0.686 No H/Q in entry = 6 In of MODEL 11 1 H TYR 102 H TYR 102 107.073 3.401 5.122 2 HA TYR 102 HA TYR 102 104.557 4.937 4.968 3 HB2 TYR 102 HB2 TYR 102 106.884 5.214 6.876 4 HB3 TYR 102 HB3 TYR 102 105.344 6.015 7.011 5 HD1 TYR 102 HD1 TYR 102 106.382 2.401 6.446 6 HD2 TYR 102 HD2 TYR 102 104.081 5.149 8.795 7 HE1 TYR 102 HE1 TYR 102 105.513 0.536 7.727 8 HE2 TYR 102 HE2 TYR 102 103.205 3.254 10.118 9 HH TYR 102 HH TYR 102 103.369 0.108 9.159 No H/Q in entry = 9 In of MODEL 11 1 H VAL 103 H VAL 103 104.784 6.132 3.178 2 HA VAL 103 HA VAL 103 107.320 7.142 2.376 3 HB VAL 103 HB VAL 103 104.732 7.634 1.004 No H/Q in entry = 3 In of MODEL 11 1 HA PRO 104 HA PRO 104 106.757 11.173 4.327 2 HB2 PRO 104 HB2 PRO 104 108.941 11.826 2.392 3 HB3 PRO 104 HB3 PRO 104 108.865 12.134 4.138 4 HG2 PRO 104 HG2 PRO 104 110.400 10.182 3.072 5 HG3 PRO 104 HG3 PRO 104 109.683 10.049 4.673 6 HD2 PRO 104 HD2 PRO 104 108.961 8.650 2.185 7 HD3 PRO 104 HD3 PRO 104 108.652 8.192 3.874 No H/Q in entry = 7 In of MODEL 11 1 H SER 105 H SER 105 105.593 12.966 3.586 2 HA SER 105 HA SER 105 104.068 12.795 1.327 3 HB2 SER 105 HB2 SER 105 103.615 15.180 1.557 4 HB3 SER 105 HB3 SER 105 103.659 14.417 3.144 5 HG SER 105 HG SER 105 105.067 16.458 2.332 No H/Q in entry = 5 In of MODEL 11 1 H GLY 106 H GLY 106 107.307 14.145 1.607 2 HA2 GLY 106 HA2 GLY 106 108.791 14.892 0.010 3 HA3 GLY 106 HA3 GLY 106 107.401 15.364 -0.957 No H/Q in entry = 3 In of MODEL 11 1 H LEU 107 H LEU 107 107.999 12.107 0.194 2 HA LEU 107 HA LEU 107 108.936 11.248 -2.472 3 HB2 LEU 107 HB2 LEU 107 108.805 9.713 0.143 4 HB3 LEU 107 HB3 LEU 107 109.537 9.139 -1.332 5 HG LEU 107 HG LEU 107 110.454 11.464 0.366 6 HD11 LEU 107 HD11 LEU 107 111.089 9.172 1.122 7 HD12 LEU 107 HD12 LEU 107 111.856 8.915 -0.441 8 HD13 LEU 107 HD13 LEU 107 112.479 10.148 0.648 9 HD21 LEU 107 HD21 LEU 107 111.231 10.633 -2.412 10 HD22 LEU 107 HD22 LEU 107 110.884 12.249 -1.810 11 HD23 LEU 107 HD23 LEU 107 112.392 11.453 -1.372 No H/Q in entry = 11 In of MODEL 11 1 H ALA 108 H ALA 108 106.012 11.679 -1.050 2 HA ALA 108 HA ALA 108 104.863 9.197 -2.133 3 HB1 ALA 108 HB1 ALA 108 103.546 11.184 -0.285 4 HB2 ALA 108 HB2 ALA 108 102.984 9.574 -0.698 5 HB3 ALA 108 HB3 ALA 108 104.421 9.787 0.267 No H/Q in entry = 5 In of MODEL 11 1 H TYR 109 H TYR 109 102.560 11.597 -1.560 2 HA TYR 109 HA TYR 109 102.141 11.909 -4.424 3 HB2 TYR 109 HB2 TYR 109 100.361 12.104 -2.016 4 HB3 TYR 109 HB3 TYR 109 99.863 12.828 -3.541 5 HD1 TYR 109 HD1 TYR 109 100.401 9.754 -1.751 6 HD2 TYR 109 HD2 TYR 109 99.740 11.400 -5.630 7 HE1 TYR 109 HE1 TYR 109 99.965 7.529 -2.624 8 HE2 TYR 109 HE2 TYR 109 99.371 9.155 -6.541 9 HH TYR 109 HH TYR 109 99.674 6.296 -4.385 No H/Q in entry = 9 In of MODEL 11 1 H GLY 110 H GLY 110 103.823 13.586 -2.253 2 HA2 GLY 110 HA2 GLY 110 103.209 16.153 -3.598 3 HA3 GLY 110 HA3 GLY 110 104.788 15.667 -3.021 No H/Q in entry = 3 In of MODEL 11 1 HA PRO 111 HA PRO 111 104.018 17.716 0.815 2 HB2 PRO 111 HB2 PRO 111 104.954 20.187 0.345 3 HB3 PRO 111 HB3 PRO 111 106.026 18.777 0.317 4 HG2 PRO 111 HG2 PRO 111 104.775 20.217 -1.982 5 HG3 PRO 111 HG3 PRO 111 106.451 19.673 -1.781 6 HD2 PRO 111 HD2 PRO 111 104.595 18.260 -3.204 7 HD3 PRO 111 HD3 PRO 111 105.936 17.485 -2.350 No H/Q in entry = 7 In of MODEL 11 1 H ARG 112 H ARG 112 102.391 18.594 -2.007 2 HA ARG 112 HA ARG 112 100.600 20.531 -0.665 3 HB2 ARG 112 HB2 ARG 112 101.821 20.900 -2.973 4 HB3 ARG 112 HB3 ARG 112 100.551 19.858 -3.603 5 HG2 ARG 112 HG2 ARG 112 99.088 21.648 -2.065 6 HG3 ARG 112 HG3 ARG 112 100.391 22.672 -2.658 7 HD2 ARG 112 HD2 ARG 112 98.366 21.110 -4.256 8 HD3 ARG 112 HD3 ARG 112 98.711 22.835 -4.318 9 HE ARG 112 HE ARG 112 100.130 20.740 -5.711 10 HH11 ARG 112 HH11 ARG 112 100.294 23.921 -4.348 11 HH12 ARG 112 HH12 ARG 112 101.594 24.437 -5.373 12 HH21 ARG 112 HH21 ARG 112 101.827 21.413 -7.051 13 HH22 ARG 112 HH22 ARG 112 102.454 23.021 -6.909 No H/Q in entry = 13 In of MODEL 11 1 H SER 113 H SER 113 98.241 20.280 -1.350 2 HA SER 113 HA SER 113 97.374 17.608 -0.781 3 HB2 SER 113 HB2 SER 113 95.601 19.802 -1.828 4 HB3 SER 113 HB3 SER 113 95.218 18.509 -0.692 5 HG SER 113 HG SER 113 96.471 20.945 -0.298 No H/Q in entry = 5 In of MODEL 11 1 H VAL 114 H VAL 114 97.887 16.176 -2.406 2 HA VAL 114 HA VAL 114 96.996 16.856 -5.163 3 HB VAL 114 HB VAL 114 98.968 14.720 -4.378 No H/Q in entry = 3 In of MODEL 11 1 H GLY 115 H GLY 115 94.841 16.189 -3.899 2 HA2 GLY 115 HA2 GLY 115 94.453 13.313 -3.737 3 HA3 GLY 115 HA3 GLY 115 93.693 14.075 -5.128 No H/Q in entry = 3 In of MODEL 11 1 H GLY 116 H GLY 116 91.901 12.956 -3.826 2 HA2 GLY 116 HA2 GLY 116 89.980 13.087 -2.565 3 HA3 GLY 116 HA3 GLY 116 90.052 14.792 -2.952 No H/Q in entry = 3 In of MODEL 11 1 HA PRO 117 HA PRO 117 90.250 14.389 1.666 2 HB2 PRO 117 HB2 PRO 117 91.199 12.119 2.845 3 HB3 PRO 117 HB3 PRO 117 89.522 12.308 2.306 4 HG2 PRO 117 HG2 PRO 117 91.809 11.038 0.875 5 HG3 PRO 117 HG3 PRO 117 90.166 10.434 1.099 6 HD2 PRO 117 HD2 PRO 117 90.884 11.560 -1.195 7 HD3 PRO 117 HD3 PRO 117 89.285 11.896 -0.493 No H/Q in entry = 7 In of MODEL 11 1 H ILE 118 H ILE 118 92.983 13.337 -0.130 2 HA ILE 118 HA ILE 118 94.990 13.732 1.841 3 HB ILE 118 HB ILE 118 95.270 14.041 -1.159 4 HD11 ILE 118 HD11 ILE 118 93.694 12.482 -1.560 5 HD12 ILE 118 HD12 ILE 118 94.620 11.081 -2.068 6 HD13 ILE 118 HD13 ILE 118 93.587 10.990 -0.651 No H/Q in entry = 6 In of MODEL 11 1 H GLY 119 H GLY 119 95.309 15.616 2.816 2 HA2 GLY 119 HA2 GLY 119 94.988 17.880 3.223 3 HA3 GLY 119 HA3 GLY 119 94.597 18.143 1.537 No H/Q in entry = 3 In of MODEL 11 1 HA PRO 120 HA PRO 120 98.650 19.793 1.045 2 HB2 PRO 120 HB2 PRO 120 99.082 21.680 3.000 3 HB3 PRO 120 HB3 PRO 120 98.071 21.964 1.583 4 HG2 PRO 120 HG2 PRO 120 97.250 21.178 4.335 5 HG3 PRO 120 HG3 PRO 120 96.527 22.361 3.259 6 HD2 PRO 120 HD2 PRO 120 95.467 19.922 3.612 7 HD3 PRO 120 HD3 PRO 120 95.420 20.716 2.025 No H/Q in entry = 7 In of MODEL 11 1 H ASN 121 H ASN 121 100.741 19.189 1.495 2 HA ASN 121 HA ASN 121 102.472 18.094 2.546 3 HB2 ASN 121 HB2 ASN 121 102.293 20.293 3.812 4 HB3 ASN 121 HB3 ASN 121 101.423 19.400 5.051 5 HD21 ASN 121 HD21 ASN 121 104.513 20.336 4.098 6 HD22 ASN 121 HD22 ASN 121 105.381 19.227 5.031 No H/Q in entry = 6 In of MODEL 11 1 H GLU 122 H GLU 122 100.401 16.372 2.189 2 HA GLU 122 HA GLU 122 99.861 15.029 4.741 3 HB2 GLU 122 HB2 GLU 122 98.653 15.074 2.067 4 HB3 GLU 122 HB3 GLU 122 98.845 13.447 2.690 5 HG2 GLU 122 HG2 GLU 122 96.689 14.226 3.329 6 HG3 GLU 122 HG3 GLU 122 97.684 14.147 4.781 No H/Q in entry = 6 In of MODEL 11 1 H THR 123 H THR 123 100.904 13.231 5.403 2 HA THR 123 HA THR 123 102.907 12.020 3.594 3 HB THR 123 HB THR 123 102.462 11.678 6.564 4 HG1 THR 123 HG1 THR 123 104.249 12.906 6.768 5 HG21 THR 123 HG21 THR 123 103.293 9.622 5.457 6 HG22 THR 123 HG22 THR 123 104.596 10.552 4.752 7 HG23 THR 123 HG23 THR 123 104.514 10.334 6.498 No H/Q in entry = 7 In of MODEL 11 1 H LEU 124 H LEU 124 102.407 10.136 2.641 2 HA LEU 124 HA LEU 124 99.977 8.692 3.574 3 HB2 LEU 124 HB2 LEU 124 101.300 8.693 0.855 4 HB3 LEU 124 HB3 LEU 124 99.855 7.792 1.278 5 HG LEU 124 HG LEU 124 98.947 9.667 0.206 6 HD11 LEU 124 HD11 LEU 124 98.052 9.471 2.545 7 HD12 LEU 124 HD12 LEU 124 99.150 10.776 2.967 8 HD13 LEU 124 HD13 LEU 124 97.889 11.057 1.793 9 HD21 LEU 124 HD21 LEU 124 101.169 10.809 0.008 10 HD22 LEU 124 HD22 LEU 124 99.804 11.887 0.269 11 HD23 LEU 124 HD23 LEU 124 100.875 11.492 1.595 No H/Q in entry = 11 In of MODEL 11 1 H ILE 125 H ILE 125 100.020 6.512 3.827 2 HA ILE 125 HA ILE 125 102.635 5.131 3.678 3 HB ILE 125 HB ILE 125 102.215 5.311 6.006 4 HD11 ILE 125 HD11 ILE 125 101.967 3.779 7.705 5 HD12 ILE 125 HD12 ILE 125 100.776 2.514 7.482 6 HD13 ILE 125 HD13 ILE 125 102.481 2.166 7.268 No H/Q in entry = 6 In of MODEL 11 1 H PHE 126 H PHE 126 102.583 3.022 2.907 2 HA PHE 126 HA PHE 126 99.946 1.984 2.137 3 HB2 PHE 126 HB2 PHE 126 102.285 1.739 0.268 4 HB3 PHE 126 HB3 PHE 126 100.558 1.519 -0.060 5 HD1 PHE 126 HD1 PHE 126 99.294 3.307 -0.919 6 HD2 PHE 126 HD2 PHE 126 103.016 4.074 1.075 7 HE1 PHE 126 HE1 PHE 126 99.112 5.710 -1.488 8 HE2 PHE 126 HE2 PHE 126 102.825 6.468 0.508 9 HZ PHE 126 HZ PHE 126 100.889 7.278 -0.760 No H/Q in entry = 9 In of MODEL 11 1 H LYS 127 H LYS 127 99.770 -0.253 1.993 2 HA LYS 127 HA LYS 127 101.905 -1.743 3.318 3 HB2 LYS 127 HB2 LYS 127 99.392 -3.179 2.742 4 HB3 LYS 127 HB3 LYS 127 100.261 -3.042 4.250 5 HG2 LYS 127 HG2 LYS 127 98.449 -0.924 3.113 6 HG3 LYS 127 HG3 LYS 127 98.010 -2.063 4.375 7 HD2 LYS 127 HD2 LYS 127 99.746 -1.172 5.851 8 HD3 LYS 127 HD3 LYS 127 100.261 -0.040 4.615 9 HE2 LYS 127 HE2 LYS 127 98.046 1.024 4.643 10 HE3 LYS 127 HE3 LYS 127 97.502 -0.127 5.864 11 HZ1 LYS 127 HZ1 LYS 127 99.927 1.063 6.680 12 HZ2 LYS 127 HZ2 LYS 127 98.817 2.281 6.275 13 HZ3 LYS 127 HZ3 LYS 127 98.407 1.112 7.438 No H/Q in entry = 13 In of MODEL 11 1 H ILE 128 H ILE 128 103.206 -2.944 2.010 2 HA ILE 128 HA ILE 128 102.076 -3.515 -0.687 3 HB ILE 128 HB ILE 128 105.028 -3.204 -0.202 4 HD11 ILE 128 HD11 ILE 128 105.068 -0.682 -2.028 5 HD12 ILE 128 HD12 ILE 128 104.816 0.539 -0.795 6 HD13 ILE 128 HD13 ILE 128 105.967 -0.757 -0.510 No H/Q in entry = 6 In of MODEL 11 1 H HIS 129 H HIS 129 101.682 -5.431 -1.108 2 HA HIS 129 HA HIS 129 103.208 -7.661 0.085 3 HB2 HIS 129 HB2 HIS 129 100.842 -7.760 0.618 4 HB3 HIS 129 HB3 HIS 129 100.424 -7.500 -1.072 5 HD2 HIS 129 HD2 HIS 129 103.181 -10.173 -0.007 6 HE1 HIS 129 HE1 HIS 129 99.899 -12.129 -1.833 7 HE2 HIS 129 HE2 HIS 129 102.273 -12.428 -1.015 No H/Q in entry = 7 In of MODEL 11 1 H LEU 130 H LEU 130 104.552 -8.761 -1.288 2 HA LEU 130 HA LEU 130 104.305 -8.105 -4.131 3 HB2 LEU 130 HB2 LEU 130 106.525 -8.355 -2.456 4 HB3 LEU 130 HB3 LEU 130 106.553 -9.792 -3.443 5 HG LEU 130 HG LEU 130 106.308 -7.016 -4.548 6 HD11 LEU 130 HD11 LEU 130 108.680 -8.871 -4.401 7 HD12 LEU 130 HD12 LEU 130 108.638 -7.420 -5.381 8 HD13 LEU 130 HD13 LEU 130 108.535 -7.303 -3.629 9 HD21 LEU 130 HD21 LEU 130 105.279 -8.781 -5.969 10 HD22 LEU 130 HD22 LEU 130 106.712 -8.126 -6.698 11 HD23 LEU 130 HD23 LEU 130 106.793 -9.674 -5.898 No H/Q in entry = 11 In of MODEL 11 1 H ILE 131 H ILE 131 103.061 -9.340 -5.336 2 HA ILE 131 HA ILE 131 102.805 -12.203 -4.719 3 HB ILE 131 HB ILE 131 101.325 -10.374 -6.620 4 HD11 ILE 131 HD11 ILE 131 100.280 -8.888 -5.178 5 HD12 ILE 131 HD12 ILE 131 99.712 -9.356 -3.581 6 HD13 ILE 131 HD13 ILE 131 101.432 -9.256 -3.890 No H/Q in entry = 6 In of MODEL 11 1 H SER 132 H SER 132 103.754 -10.124 -7.490 2 HA SER 132 HA SER 132 105.511 -12.277 -8.407 3 HB2 SER 132 HB2 SER 132 104.515 -12.674 -10.468 4 HB3 SER 132 HB3 SER 132 103.096 -12.458 -9.444 5 HG SER 132 HG SER 132 102.635 -10.973 -10.863 No H/Q in entry = 5 In of MODEL 11 1 H VAL 133 H VAL 133 107.040 -11.597 -10.002 2 HA VAL 133 HA VAL 133 107.377 -8.655 -10.209 3 HB VAL 133 HB VAL 133 109.529 -10.734 -9.670 No H/Q in entry = 3 In of MODEL 11 1 H LYS 134 H LYS 134 108.108 -7.869 -12.113 2 HA LYS 134 HA LYS 134 108.250 -9.710 -14.386 3 HB2 LYS 134 HB2 LYS 134 106.770 -7.506 -14.145 4 HB3 LYS 134 HB3 LYS 134 108.276 -6.766 -14.673 5 HG2 LYS 134 HG2 LYS 134 107.249 -7.178 -16.730 6 HG3 LYS 134 HG3 LYS 134 108.233 -8.630 -16.543 7 HD2 LYS 134 HD2 LYS 134 106.207 -9.693 -15.430 8 HD3 LYS 134 HD3 LYS 134 105.275 -8.314 -16.006 9 HE2 LYS 134 HE2 LYS 134 106.902 -10.180 -17.757 10 HE3 LYS 134 HE3 LYS 134 105.145 -10.202 -17.601 11 HZ1 LYS 134 HZ1 LYS 134 105.391 -7.705 -18.224 12 HZ2 LYS 134 HZ2 LYS 134 106.874 -8.206 -18.885 13 HZ3 LYS 134 HZ3 LYS 134 105.425 -8.890 -19.441 No H/Q in entry = 13 In of MODEL 11 1 H LYS 135 H LYS 135 109.537 -7.603 -15.933 2 HA LYS 135 HA LYS 135 112.086 -7.003 -14.857 3 HB2 LYS 135 HB2 LYS 135 111.864 -9.593 -15.873 4 HB3 LYS 135 HB3 LYS 135 112.658 -8.713 -17.159 5 HG2 LYS 135 HG2 LYS 135 113.587 -8.529 -14.292 6 HG3 LYS 135 HG3 LYS 135 114.131 -9.800 -15.381 7 HD2 LYS 135 HD2 LYS 135 114.330 -6.930 -16.247 8 HD3 LYS 135 HD3 LYS 135 115.535 -7.582 -15.146 9 HE2 LYS 135 HE2 LYS 135 114.833 -8.743 -17.856 10 HE3 LYS 135 HE3 LYS 135 116.274 -7.804 -17.487 11 HZ1 LYS 135 HZ1 LYS 135 116.554 -9.595 -15.641 12 HZ2 LYS 135 HZ2 LYS 135 115.564 -10.527 -16.654 13 HZ3 LYS 135 HZ3 LYS 135 117.043 -9.925 -17.234 No H/Q in entry = 13 In of MODEL 11 1 H SER 136 H SER 136 113.183 -5.546 -15.988 2 HA SER 136 HA SER 136 111.765 -3.854 -17.716 3 HB2 SER 136 HB2 SER 136 113.870 -2.672 -17.986 4 HB3 SER 136 HB3 SER 136 113.710 -3.200 -16.312 5 HG SER 136 HG SER 136 115.193 -4.745 -16.640 No H/Q in entry = 5 In of MODEL 11 1 H SER 137 H SER 137 113.943 -6.534 -18.388 2 HA SER 137 HA SER 137 114.558 -7.565 -20.349 3 HB2 SER 137 HB2 SER 137 112.182 -8.023 -20.530 4 HB3 SER 137 HB3 SER 137 111.886 -6.419 -21.194 5 HG SER 137 HG SER 137 112.380 -7.210 -23.066 No H/Q in entry = 5 In of MODEL 12 1 H1 PHE 1 H1 PHE 1 93.623 26.193 4.747 2 H2 PHE 1 H2 PHE 1 94.016 27.834 4.583 3 H3 PHE 1 H3 PHE 1 92.706 27.187 3.717 4 HA PHE 1 HA PHE 1 94.066 26.009 2.262 5 HB2 PHE 1 HB2 PHE 1 94.080 28.497 1.958 6 HB3 PHE 1 HB3 PHE 1 95.567 28.571 2.898 7 HD1 PHE 1 HD1 PHE 1 97.637 28.353 1.782 8 HD2 PHE 1 HD2 PHE 1 94.067 26.821 -0.050 9 HE1 PHE 1 HE1 PHE 1 98.923 27.799 -0.264 10 HE2 PHE 1 HE2 PHE 1 95.354 26.266 -2.095 11 HZ PHE 1 HZ PHE 1 97.783 26.754 -2.202 No H/Q in entry = 11 In of MODEL 12 1 H ASN 2 H ASN 2 96.940 27.587 3.289 2 HA ASN 2 HA ASN 2 98.300 25.106 3.604 3 HB2 ASN 2 HB2 ASN 2 99.097 27.977 4.017 4 HB3 ASN 2 HB3 ASN 2 100.179 26.663 4.481 5 HD21 ASN 2 HD21 ASN 2 101.138 28.277 2.474 6 HD22 ASN 2 HD22 ASN 2 101.028 27.502 0.969 No H/Q in entry = 6 In of MODEL 12 1 H LYS 3 H LYS 3 96.640 27.225 5.796 2 HA LYS 3 HA LYS 3 97.850 26.746 8.221 3 HB2 LYS 3 HB2 LYS 3 95.690 27.116 9.260 4 HB3 LYS 3 HB3 LYS 3 95.786 28.155 7.838 5 HG2 LYS 3 HG2 LYS 3 94.545 26.421 6.534 6 HG3 LYS 3 HG3 LYS 3 94.381 25.473 8.007 7 HD2 LYS 3 HD2 LYS 3 93.144 27.279 9.070 8 HD3 LYS 3 HD3 LYS 3 93.268 28.242 7.593 9 HE2 LYS 3 HE2 LYS 3 92.081 26.532 6.342 10 HE3 LYS 3 HE3 LYS 3 92.073 25.476 7.758 11 HZ1 LYS 3 HZ1 LYS 3 90.991 27.897 8.564 12 HZ2 LYS 3 HZ2 LYS 3 90.266 27.548 7.071 13 HZ3 LYS 3 HZ3 LYS 3 90.169 26.427 8.343 No H/Q in entry = 13 In of MODEL 12 1 H LYS 4 H LYS 4 95.664 24.679 6.392 2 HA LYS 4 HA LYS 4 95.390 22.622 8.280 3 HB2 LYS 4 HB2 LYS 4 94.153 23.152 6.021 4 HB3 LYS 4 HB3 LYS 4 95.358 22.079 5.325 5 HG2 LYS 4 HG2 LYS 4 93.586 21.332 7.664 6 HG3 LYS 4 HG3 LYS 4 93.192 20.984 5.993 7 HD2 LYS 4 HD2 LYS 4 95.491 19.795 5.889 8 HD3 LYS 4 HD3 LYS 4 95.451 19.886 7.649 9 HE2 LYS 4 HE2 LYS 4 93.189 18.702 6.038 10 HE3 LYS 4 HE3 LYS 4 94.498 17.735 6.701 11 HZ1 LYS 4 HZ1 LYS 4 93.921 18.762 8.904 12 HZ2 LYS 4 HZ2 LYS 4 92.516 19.368 8.171 13 HZ3 LYS 4 HZ3 LYS 4 92.763 17.691 8.271 No H/Q in entry = 13 In of MODEL 12 1 H ALA 5 H ALA 5 97.726 23.302 5.765 2 HA ALA 5 HA ALA 5 99.128 20.933 5.557 3 HB1 ALA 5 HB1 ALA 5 100.812 22.198 4.549 4 HB2 ALA 5 HB2 ALA 5 100.557 23.572 5.608 5 HB3 ALA 5 HB3 ALA 5 99.398 23.224 4.336 No H/Q in entry = 5 In of MODEL 12 1 H ASP 6 H ASP 6 99.298 23.399 8.004 2 HA ASP 6 HA ASP 6 101.616 22.467 9.313 3 HB2 ASP 6 HB2 ASP 6 99.252 24.045 10.237 4 HB3 ASP 6 HB3 ASP 6 100.598 23.659 11.290 No H/Q in entry = 4 In of MODEL 12 1 H GLU 7 H GLU 7 98.176 21.586 9.592 2 HA GLU 7 HA GLU 7 98.459 19.951 11.899 3 HB2 GLU 7 HB2 GLU 7 96.468 19.521 9.722 4 HB3 GLU 7 HB3 GLU 7 96.289 19.164 11.435 5 HG2 GLU 7 HG2 GLU 7 96.497 21.614 11.884 6 HG3 GLU 7 HG3 GLU 7 96.450 21.882 10.148 No H/Q in entry = 6 In of MODEL 12 1 H ASN 8 H ASN 8 98.257 19.149 8.492 2 HA ASN 8 HA ASN 8 98.729 16.380 8.709 3 HB2 ASN 8 HB2 ASN 8 99.556 18.242 6.481 4 HB3 ASN 8 HB3 ASN 8 99.356 16.511 6.370 5 HD21 ASN 8 HD21 ASN 8 97.879 17.894 4.610 6 HD22 ASN 8 HD22 ASN 8 96.247 17.950 5.065 No H/Q in entry = 6 In of MODEL 12 1 H LYS 9 H LYS 9 100.767 19.154 8.635 2 HA LYS 9 HA LYS 9 103.274 17.865 8.316 3 HB2 LYS 9 HB2 LYS 9 103.342 20.133 7.846 4 HB3 LYS 9 HB3 LYS 9 102.257 20.509 9.148 5 HG2 LYS 9 HG2 LYS 9 103.994 20.285 10.782 6 HG3 LYS 9 HG3 LYS 9 105.110 19.696 9.553 7 HD2 LYS 9 HD2 LYS 9 104.870 21.901 8.380 8 HD3 LYS 9 HD3 LYS 9 103.882 22.450 9.729 9 HE2 LYS 9 HE2 LYS 9 105.727 22.083 11.288 10 HE3 LYS 9 HE3 LYS 9 106.730 21.456 9.979 11 HZ1 LYS 9 HZ1 LYS 9 105.552 24.178 9.981 12 HZ2 LYS 9 HZ2 LYS 9 107.121 23.834 10.536 13 HZ3 LYS 9 HZ3 LYS 9 106.711 23.558 8.910 No H/Q in entry = 13 In of MODEL 12 1 H VAL 10 H VAL 10 101.618 19.065 11.284 2 HA VAL 10 HA VAL 10 103.669 18.133 13.006 3 HB VAL 10 HB VAL 10 100.790 18.809 13.571 No H/Q in entry = 3 In of MODEL 12 1 H LYS 11 H LYS 11 100.525 16.714 12.147 2 HA LYS 11 HA LYS 11 100.845 14.413 13.736 3 HB2 LYS 11 HB2 LYS 11 99.215 14.959 11.286 4 HB3 LYS 11 HB3 LYS 11 99.212 13.401 12.077 5 HG2 LYS 11 HG2 LYS 11 97.383 14.453 13.090 6 HG3 LYS 11 HG3 LYS 11 98.668 14.762 14.251 7 HD2 LYS 11 HD2 LYS 11 99.056 16.968 13.117 8 HD3 LYS 11 HD3 LYS 11 97.623 16.661 12.136 9 HE2 LYS 11 HE2 LYS 11 97.830 17.113 15.101 10 HE3 LYS 11 HE3 LYS 11 96.806 17.941 13.931 11 HZ1 LYS 11 HZ1 LYS 11 95.832 15.573 13.597 12 HZ2 LYS 11 HZ2 LYS 11 96.464 15.289 15.145 13 HZ3 LYS 11 HZ3 LYS 11 95.322 16.524 14.909 No H/Q in entry = 13 In of MODEL 12 1 H GLY 12 H GLY 12 101.732 15.303 10.494 2 HA2 GLY 12 HA2 GLY 12 103.035 14.260 8.892 3 HA3 GLY 12 HA3 GLY 12 102.725 12.750 9.712 No H/Q in entry = 3 In of MODEL 12 1 H GLU 13 H GLU 13 104.400 15.685 10.900 2 HA GLU 13 HA GLU 13 106.998 14.603 10.650 3 HB2 GLU 13 HB2 GLU 13 105.870 16.691 12.523 4 HB3 GLU 13 HB3 GLU 13 107.563 16.204 12.578 5 HG2 GLU 13 HG2 GLU 13 107.817 16.802 10.213 6 HG3 GLU 13 HG3 GLU 13 106.135 17.305 10.155 No H/Q in entry = 6 In of MODEL 12 1 H ALA 14 H ALA 14 104.513 14.310 13.047 2 HA ALA 14 HA ALA 14 106.060 12.950 15.003 3 HB1 ALA 14 HB1 ALA 14 103.969 14.256 15.472 4 HB2 ALA 14 HB2 ALA 14 103.062 12.970 14.677 5 HB3 ALA 14 HB3 ALA 14 103.970 12.630 16.147 No H/Q in entry = 5 In of MODEL 12 1 H PHE 15 H PHE 15 103.981 12.083 12.351 2 HA PHE 15 HA PHE 15 103.627 9.343 12.857 3 HB2 PHE 15 HB2 PHE 15 102.401 10.805 11.241 4 HB3 PHE 15 HB3 PHE 15 103.825 10.781 10.215 5 HD1 PHE 15 HD1 PHE 15 104.270 8.980 8.788 6 HD2 PHE 15 HD2 PHE 15 101.221 8.648 11.787 7 HE1 PHE 15 HE1 PHE 15 103.408 6.931 7.695 8 HE2 PHE 15 HE2 PHE 15 100.388 6.573 10.718 9 HZ PHE 15 HZ PHE 15 101.477 5.734 8.664 No H/Q in entry = 9 In of MODEL 12 1 H LEU 16 H LEU 16 106.023 11.024 10.817 2 HA LEU 16 HA LEU 16 107.433 8.609 10.197 3 HB2 LEU 16 HB2 LEU 16 108.270 11.510 10.051 4 HB3 LEU 16 HB3 LEU 16 109.331 10.193 9.593 5 HG LEU 16 HG LEU 16 107.254 9.459 8.090 6 HD11 LEU 16 HD11 LEU 16 106.755 12.383 8.660 7 HD12 LEU 16 HD12 LEU 16 106.288 11.677 7.114 8 HD13 LEU 16 HD13 LEU 16 105.603 11.051 8.615 9 HD21 LEU 16 HD21 LEU 16 109.314 11.581 7.539 10 HD22 LEU 16 HD22 LEU 16 109.323 9.880 7.099 11 HD23 LEU 16 HD23 LEU 16 108.234 10.989 6.280 No H/Q in entry = 11 In of MODEL 12 1 H THR 17 H THR 17 107.749 11.086 12.655 2 HA THR 17 HA THR 17 110.165 10.147 13.763 3 HB THR 17 HB THR 17 107.967 11.493 15.321 4 HG1 THR 17 HG1 THR 17 109.584 12.389 13.300 5 HG21 THR 17 HG21 THR 17 110.960 11.313 15.629 6 HG22 THR 17 HG22 THR 17 109.921 12.378 16.574 7 HG23 THR 17 HG23 THR 17 109.731 10.632 16.696 No H/Q in entry = 7 In of MODEL 12 1 H GLU 18 H GLU 18 106.805 9.354 14.397 2 HA GLU 18 HA GLU 18 107.403 7.543 16.487 3 HB2 GLU 18 HB2 GLU 18 105.262 8.731 16.374 4 HB3 GLU 18 HB3 GLU 18 104.884 7.868 14.889 5 HG2 GLU 18 HG2 GLU 18 104.973 5.723 16.082 6 HG3 GLU 18 HG3 GLU 18 105.395 6.561 17.573 No H/Q in entry = 6 In of MODEL 12 1 H ASN 19 H ASN 19 106.504 7.158 13.071 2 HA ASN 19 HA ASN 19 106.365 4.361 13.102 3 HB2 ASN 19 HB2 ASN 19 105.510 5.757 11.267 4 HB3 ASN 19 HB3 ASN 19 107.164 6.120 10.796 5 HD21 ASN 19 HD21 ASN 19 107.685 4.894 9.037 6 HD22 ASN 19 HD22 ASN 19 107.277 3.265 8.815 No H/Q in entry = 6 In of MODEL 12 1 H LYS 20 H LYS 20 109.158 6.415 12.341 2 HA LYS 20 HA LYS 20 110.844 4.281 11.607 3 HB2 LYS 20 HB2 LYS 20 112.715 5.780 12.064 4 HB3 LYS 20 HB3 LYS 20 111.443 6.653 11.224 5 HG2 LYS 20 HG2 LYS 20 110.604 7.363 13.528 6 HG3 LYS 20 HG3 LYS 20 112.107 6.712 14.170 7 HD2 LYS 20 HD2 LYS 20 112.000 8.806 11.980 8 HD3 LYS 20 HD3 LYS 20 112.198 9.190 13.692 9 HE2 LYS 20 HE2 LYS 20 114.197 7.554 13.631 10 HE3 LYS 20 HE3 LYS 20 114.077 7.715 11.883 11 HZ1 LYS 20 HZ1 LYS 20 113.936 10.273 12.764 12 HZ2 LYS 20 HZ2 LYS 20 115.078 9.575 13.807 13 HZ3 LYS 20 HZ3 LYS 20 115.317 9.518 12.126 No H/Q in entry = 13 In of MODEL 12 1 H ASN 21 H ASN 21 109.899 5.635 14.676 2 HA ASN 21 HA ASN 21 111.728 4.151 16.293 3 HB2 ASN 21 HB2 ASN 21 109.151 5.517 17.025 4 HB3 ASN 21 HB3 ASN 21 110.326 4.886 18.166 5 HD21 ASN 21 HD21 ASN 21 112.555 5.750 16.232 6 HD22 ASN 21 HD22 ASN 21 112.702 7.420 16.496 No H/Q in entry = 6 In of MODEL 12 1 H LYS 22 H LYS 22 108.440 3.603 15.168 2 HA LYS 22 HA LYS 22 107.730 1.577 16.859 3 HB2 LYS 22 HB2 LYS 22 107.007 2.216 14.054 4 HB3 LYS 22 HB3 LYS 22 106.329 0.792 14.819 5 HG2 LYS 22 HG2 LYS 22 105.767 2.583 16.759 6 HG3 LYS 22 HG3 LYS 22 105.844 3.694 15.402 7 HD2 LYS 22 HD2 LYS 22 104.126 1.199 15.478 8 HD3 LYS 22 HD3 LYS 22 103.540 2.833 15.797 9 HE2 LYS 22 HE2 LYS 22 104.224 3.536 13.546 10 HE3 LYS 22 HE3 LYS 22 104.852 1.919 13.224 11 HZ1 LYS 22 HZ1 LYS 22 102.275 1.566 14.132 12 HZ2 LYS 22 HZ2 LYS 22 102.187 2.867 13.048 13 HZ3 LYS 22 HZ3 LYS 22 102.830 1.380 12.537 No H/Q in entry = 13 In of MODEL 12 1 HA PRO 23 HA PRO 23 110.577 -1.760 15.919 2 HB2 PRO 23 HB2 PRO 23 108.341 -3.619 16.581 3 HB3 PRO 23 HB3 PRO 23 109.981 -3.539 17.248 4 HG2 PRO 23 HG2 PRO 23 107.882 -2.680 18.643 5 HG3 PRO 23 HG3 PRO 23 109.453 -1.859 18.716 6 HD2 PRO 23 HD2 PRO 23 106.960 -1.016 17.272 7 HD3 PRO 23 HD3 PRO 23 108.177 -0.040 18.127 No H/Q in entry = 7 In of MODEL 12 1 H GLY 24 H GLY 24 111.037 -3.205 14.304 2 HA2 GLY 24 HA2 GLY 24 109.024 -4.139 12.443 3 HA3 GLY 24 HA3 GLY 24 110.738 -4.539 12.418 No H/Q in entry = 3 In of MODEL 12 1 H VAL 25 H VAL 25 109.903 -1.222 12.715 2 HA VAL 25 HA VAL 25 109.936 -0.711 9.847 3 HB VAL 25 HB VAL 25 109.943 1.225 12.170 No H/Q in entry = 3 In of MODEL 12 1 H VAL 26 H VAL 26 111.602 0.030 8.705 2 HA VAL 26 HA VAL 26 114.158 0.634 10.098 3 HB VAL 26 HB VAL 26 113.707 -0.791 7.467 No H/Q in entry = 3 In of MODEL 12 1 H VAL 27 H VAL 27 114.704 2.705 9.830 2 HA VAL 27 HA VAL 27 113.409 4.218 7.696 3 HB VAL 27 HB VAL 27 113.172 5.160 9.911 No H/Q in entry = 3 In of MODEL 12 1 H LEU 28 H LEU 28 114.370 5.474 6.242 2 HA LEU 28 HA LEU 28 117.221 4.846 5.763 3 HB2 LEU 28 HB2 LEU 28 115.056 5.590 3.789 4 HB3 LEU 28 HB3 LEU 28 116.716 5.269 3.364 5 HG LEU 28 HG LEU 28 114.884 3.260 4.685 6 HD11 LEU 28 HD11 LEU 28 114.257 3.934 2.349 7 HD12 LEU 28 HD12 LEU 28 115.852 3.437 1.817 8 HD13 LEU 28 HD13 LEU 28 114.730 2.250 2.470 9 HD21 LEU 28 HD21 LEU 28 117.718 3.175 3.611 10 HD22 LEU 28 HD22 LEU 28 117.151 2.685 5.207 11 HD23 LEU 28 HD23 LEU 28 116.748 1.720 3.796 No H/Q in entry = 11 In of MODEL 12 1 HA PRO 29 HA PRO 29 118.315 9.059 5.989 2 HB2 PRO 29 HB2 PRO 29 119.570 9.026 3.304 3 HB3 PRO 29 HB3 PRO 29 120.302 9.389 4.878 4 HG2 PRO 29 HG2 PRO 29 120.801 7.095 3.651 5 HG3 PRO 29 HG3 PRO 29 120.576 7.146 5.412 6 HD2 PRO 29 HD2 PRO 29 118.632 6.325 3.285 7 HD3 PRO 29 HD3 PRO 29 118.988 5.530 4.829 No H/Q in entry = 7 In of MODEL 12 1 H SER 30 H SER 30 116.838 8.034 2.977 2 HA SER 30 HA SER 30 116.119 10.622 2.050 3 HB2 SER 30 HB2 SER 30 114.683 8.046 1.405 4 HB3 SER 30 HB3 SER 30 114.807 9.495 0.411 5 HG SER 30 HG SER 30 116.463 8.473 -0.402 No H/Q in entry = 5 In of MODEL 12 1 H GLY 31 H GLY 31 115.061 8.759 4.617 2 HA2 GLY 31 HA2 GLY 31 112.743 10.495 5.044 3 HA3 GLY 31 HA3 GLY 31 113.515 9.473 6.249 No H/Q in entry = 3 In of MODEL 12 1 H LEU 32 H LEU 32 113.270 7.689 3.480 2 HA LEU 32 HA LEU 32 110.512 6.908 3.721 3 HB2 LEU 32 HB2 LEU 32 111.722 6.861 1.540 4 HB3 LEU 32 HB3 LEU 32 112.762 5.610 2.157 5 HG LEU 32 HG LEU 32 110.749 4.973 0.623 6 HD11 LEU 32 HD11 LEU 32 111.221 3.455 3.180 7 HD12 LEU 32 HD12 LEU 32 110.440 2.832 1.740 8 HD13 LEU 32 HD13 LEU 32 112.129 3.311 1.686 9 HD21 LEU 32 HD21 LEU 32 109.119 6.253 1.960 10 HD22 LEU 32 HD22 LEU 32 108.640 4.593 1.697 11 HD23 LEU 32 HD23 LEU 32 109.265 5.084 3.253 No H/Q in entry = 11 In of MODEL 12 1 H GLN 33 H GLN 33 109.725 5.241 4.913 2 HA GLN 33 HA GLN 33 111.658 3.511 6.340 3 HB2 GLN 33 HB2 GLN 33 109.032 4.654 7.296 4 HB3 GLN 33 HB3 GLN 33 110.013 3.513 8.181 5 HG2 GLN 33 HG2 GLN 33 111.031 5.329 9.083 6 HG3 GLN 33 HG3 GLN 33 111.818 5.488 7.538 7 HE21 GLN 33 HE21 GLN 33 111.528 7.741 9.005 8 HE22 GLN 33 HE22 GLN 33 110.374 8.727 8.257 No H/Q in entry = 8 In of MODEL 12 1 H TYR 34 H TYR 34 111.251 1.361 6.397 2 HA TYR 34 HA TYR 34 108.676 0.388 5.377 3 HB2 TYR 34 HB2 TYR 34 109.751 -1.293 4.002 4 HB3 TYR 34 HB3 TYR 34 110.227 0.316 3.477 5 HD1 TYR 34 HD1 TYR 34 111.263 -2.585 5.511 6 HD2 TYR 34 HD2 TYR 34 112.526 0.993 3.525 7 HE1 TYR 34 HE1 TYR 34 113.628 -3.229 5.880 8 HE2 TYR 34 HE2 TYR 34 114.894 0.356 3.890 9 HH TYR 34 HH TYR 34 116.265 -1.042 5.120 No H/Q in entry = 9 In of MODEL 12 1 H LYS 35 H LYS 35 107.914 -1.418 6.191 2 HA LYS 35 HA LYS 35 109.487 -2.729 8.301 3 HB2 LYS 35 HB2 LYS 35 107.773 -1.248 9.232 4 HB3 LYS 35 HB3 LYS 35 106.529 -2.095 8.343 5 HG2 LYS 35 HG2 LYS 35 108.298 -3.785 9.983 6 HG3 LYS 35 HG3 LYS 35 107.305 -2.683 10.910 7 HD2 LYS 35 HD2 LYS 35 105.313 -3.542 9.700 8 HD3 LYS 35 HD3 LYS 35 106.352 -4.718 8.895 9 HE2 LYS 35 HE2 LYS 35 105.305 -5.736 10.859 10 HE3 LYS 35 HE3 LYS 35 107.037 -5.586 11.099 11 HZ1 LYS 35 HZ1 LYS 35 105.218 -3.457 11.999 12 HZ2 LYS 35 HZ2 LYS 35 105.466 -4.834 12.964 13 HZ3 LYS 35 HZ3 LYS 35 106.776 -3.833 12.553 No H/Q in entry = 13 In of MODEL 12 1 H VAL 36 H VAL 36 109.551 -4.853 8.182 2 HA VAL 36 HA VAL 36 108.179 -6.106 5.931 3 HB VAL 36 HB VAL 36 110.494 -6.580 6.058 No H/Q in entry = 3 In of MODEL 12 1 H ILE 37 H ILE 37 106.165 -6.625 6.281 2 HA ILE 37 HA ILE 37 105.139 -7.538 8.799 3 HB ILE 37 HB ILE 37 103.862 -8.048 6.112 4 HD11 ILE 37 HD11 ILE 37 104.221 -5.621 8.802 5 HD12 ILE 37 HD12 ILE 37 104.094 -4.182 7.830 6 HD13 ILE 37 HD13 ILE 37 102.648 -5.058 8.309 No H/Q in entry = 6 In of MODEL 12 1 H ASN 38 H ASN 38 106.173 -8.993 5.798 2 HA ASN 38 HA ASN 38 106.539 -11.581 7.138 3 HB2 ASN 38 HB2 ASN 38 105.074 -11.158 4.544 4 HB3 ASN 38 HB3 ASN 38 105.527 -12.716 5.180 5 HD21 ASN 38 HD21 ASN 38 103.528 -9.840 5.962 6 HD22 ASN 38 HD22 ASN 38 102.442 -10.688 6.950 No H/Q in entry = 6 In of MODEL 12 1 H SER 39 H SER 39 108.492 -12.408 6.623 2 HA SER 39 HA SER 39 110.077 -11.101 4.545 3 HB2 SER 39 HB2 SER 39 111.943 -12.025 5.543 4 HB3 SER 39 HB3 SER 39 110.878 -11.843 6.934 5 HG SER 39 HG SER 39 110.242 -14.133 5.905 No H/Q in entry = 5 In of MODEL 12 1 H GLY 40 H GLY 40 110.461 -11.953 2.591 2 HA2 GLY 40 HA2 GLY 40 109.405 -13.418 0.916 3 HA3 GLY 40 HA3 GLY 40 109.629 -14.737 2.056 No H/Q in entry = 3 In of MODEL 12 1 H ASN 41 H ASN 41 111.922 -12.158 1.502 2 HA ASN 41 HA ASN 41 114.051 -12.123 0.652 3 HB2 ASN 41 HB2 ASN 41 114.028 -15.038 1.430 4 HB3 ASN 41 HB3 ASN 41 115.441 -13.999 1.246 5 HD21 ASN 41 HD21 ASN 41 113.081 -12.032 2.530 6 HD22 ASN 41 HD22 ASN 41 113.431 -12.223 4.183 No H/Q in entry = 6 In of MODEL 12 1 H GLY 42 H GLY 42 111.829 -12.772 -1.161 2 HA2 GLY 42 HA2 GLY 42 111.404 -13.883 -3.176 3 HA3 GLY 42 HA3 GLY 42 112.972 -14.662 -3.072 No H/Q in entry = 3 In of MODEL 12 1 H VAL 43 H VAL 43 112.008 -13.602 -5.352 2 HA VAL 43 HA VAL 43 114.089 -11.849 -6.168 3 HB VAL 43 HB VAL 43 113.018 -11.913 -8.345 No H/Q in entry = 3 In of MODEL 12 1 H LYS 44 H LYS 44 113.203 -9.936 -7.649 2 HA LYS 44 HA LYS 44 111.016 -8.447 -6.939 3 HB2 LYS 44 HB2 LYS 44 111.725 -6.787 -5.381 4 HB3 LYS 44 HB3 LYS 44 112.074 -8.325 -4.663 5 HG2 LYS 44 HG2 LYS 44 114.261 -6.992 -6.234 6 HG3 LYS 44 HG3 LYS 44 113.857 -6.343 -4.660 7 HD2 LYS 44 HD2 LYS 44 114.218 -9.310 -4.825 8 HD3 LYS 44 HD3 LYS 44 115.666 -8.323 -4.971 9 HE2 LYS 44 HE2 LYS 44 115.416 -7.443 -2.796 10 HE3 LYS 44 HE3 LYS 44 113.705 -7.846 -2.725 11 HZ1 LYS 44 HZ1 LYS 44 115.745 -9.954 -3.018 12 HZ2 LYS 44 HZ2 LYS 44 115.363 -9.328 -1.490 13 HZ3 LYS 44 HZ3 LYS 44 114.160 -10.069 -2.430 No H/Q in entry = 13 In of MODEL 12 1 HA PRO 45 HA PRO 45 112.618 -6.227 -10.340 2 HB2 PRO 45 HB2 PRO 45 110.866 -4.135 -10.404 3 HB3 PRO 45 HB3 PRO 45 110.419 -5.798 -10.778 4 HG2 PRO 45 HG2 PRO 45 109.749 -4.161 -8.436 5 HG3 PRO 45 HG3 PRO 45 109.001 -5.637 -9.049 6 HD2 PRO 45 HD2 PRO 45 110.860 -5.383 -6.866 7 HD3 PRO 45 HD3 PRO 45 109.987 -6.831 -7.441 No H/Q in entry = 7 In of MODEL 12 1 H GLY 46 H GLY 46 113.700 -4.502 -11.234 2 HA2 GLY 46 HA2 GLY 46 115.445 -2.939 -11.115 3 HA3 GLY 46 HA3 GLY 46 115.122 -2.736 -9.399 No H/Q in entry = 3 In of MODEL 12 1 H LYS 47 H LYS 47 115.426 -0.460 -10.419 2 HA LYS 47 HA LYS 47 113.067 0.942 -10.154 3 HB2 LYS 47 HB2 LYS 47 114.199 2.873 -11.058 4 HB3 LYS 47 HB3 LYS 47 115.288 2.005 -9.988 5 HG2 LYS 47 HG2 LYS 47 115.280 1.497 -12.980 6 HG3 LYS 47 HG3 LYS 47 116.187 2.824 -12.292 7 HD2 LYS 47 HD2 LYS 47 117.878 1.395 -11.822 8 HD3 LYS 47 HD3 LYS 47 116.845 0.525 -10.707 9 HE2 LYS 47 HE2 LYS 47 117.828 -0.940 -12.410 10 HE3 LYS 47 HE3 LYS 47 116.071 -0.907 -12.550 11 HZ1 LYS 47 HZ1 LYS 47 116.724 1.101 -14.154 12 HZ2 LYS 47 HZ2 LYS 47 118.109 0.137 -14.346 13 HZ3 LYS 47 HZ3 LYS 47 116.577 -0.502 -14.700 No H/Q in entry = 13 In of MODEL 12 1 H SER 48 H SER 48 114.338 -0.677 -12.909 2 HA SER 48 HA SER 48 112.311 0.644 -14.642 3 HB2 SER 48 HB2 SER 48 114.833 -0.875 -15.296 4 HB3 SER 48 HB3 SER 48 113.693 -0.293 -16.509 5 HG SER 48 HG SER 48 114.274 1.657 -14.751 No H/Q in entry = 5 In of MODEL 12 1 H ASP 49 H ASP 49 112.704 -2.186 -12.921 2 HA ASP 49 HA ASP 49 111.480 -4.009 -14.869 3 HB2 ASP 49 HB2 ASP 49 112.190 -4.199 -11.997 4 HB3 ASP 49 HB3 ASP 49 111.418 -5.500 -12.851 No H/Q in entry = 4 In of MODEL 12 1 H THR 50 H THR 50 109.411 -5.121 -14.240 2 HA THR 50 HA THR 50 107.546 -3.174 -13.031 3 HB THR 50 HB THR 50 106.796 -5.410 -14.887 4 HG1 THR 50 HG1 THR 50 106.596 -3.089 -16.053 5 HG21 THR 50 HG21 THR 50 105.384 -2.961 -13.861 6 HG22 THR 50 HG22 THR 50 104.830 -3.901 -15.244 7 HG23 THR 50 HG23 THR 50 104.921 -4.661 -13.659 No H/Q in entry = 7 In of MODEL 12 1 H VAL 51 H VAL 51 105.971 -3.852 -11.577 2 HA VAL 51 HA VAL 51 106.572 -6.439 -10.264 3 HB VAL 51 HB VAL 51 107.500 -4.341 -9.182 No H/Q in entry = 3 In of MODEL 12 1 H THR 52 H THR 52 104.854 -7.234 -8.813 2 HA THR 52 HA THR 52 102.141 -6.251 -9.559 3 HB THR 52 HB THR 52 103.050 -9.124 -9.348 4 HG1 THR 52 HG1 THR 52 101.916 -7.876 -11.591 5 HG21 THR 52 HG21 THR 52 100.358 -7.836 -9.622 6 HG22 THR 52 HG22 THR 52 100.655 -9.447 -10.268 7 HG23 THR 52 HG23 THR 52 100.870 -9.148 -8.555 No H/Q in entry = 7 In of MODEL 12 1 H VAL 53 H VAL 53 101.145 -5.581 -7.703 2 HA VAL 53 HA VAL 53 101.556 -7.138 -5.224 3 HB VAL 53 HB VAL 53 102.232 -5.222 -3.962 No H/Q in entry = 3 In of MODEL 12 1 H GLU 54 H GLU 54 100.215 -6.460 -3.401 2 HA GLU 54 HA GLU 54 97.680 -5.072 -4.193 3 HB2 GLU 54 HB2 GLU 54 97.676 -7.017 -1.878 4 HB3 GLU 54 HB3 GLU 54 96.358 -6.425 -2.862 5 HG2 GLU 54 HG2 GLU 54 96.612 -7.990 -4.468 6 HG3 GLU 54 HG3 GLU 54 98.341 -8.074 -4.319 No H/Q in entry = 6 In of MODEL 12 1 H TYR 55 H TYR 55 96.950 -3.457 -2.607 2 HA TYR 55 HA TYR 55 98.516 -3.187 -0.166 3 HB2 TYR 55 HB2 TYR 55 99.321 -0.917 -0.905 4 HB3 TYR 55 HB3 TYR 55 100.015 -2.270 -1.806 5 HD1 TYR 55 HD1 TYR 55 97.529 0.479 -1.932 6 HD2 TYR 55 HD2 TYR 55 99.361 -2.742 -4.090 7 HE1 TYR 55 HE1 TYR 55 96.492 1.305 -4.020 8 HE2 TYR 55 HE2 TYR 55 98.330 -1.914 -6.177 9 HH TYR 55 HH TYR 55 96.000 -0.336 -6.589 No H/Q in entry = 9 In of MODEL 12 1 H THR 56 H THR 56 97.982 -1.298 1.140 2 HA THR 56 HA THR 56 95.421 -0.024 0.525 3 HB THR 56 HB THR 56 96.098 -1.393 3.072 4 HG1 THR 56 HG1 THR 56 93.864 -1.134 1.382 5 HG21 THR 56 HG21 THR 56 94.164 0.924 2.791 6 HG22 THR 56 HG22 THR 56 94.310 -0.113 4.208 7 HG23 THR 56 HG23 THR 56 95.641 0.943 3.753 No H/Q in entry = 7 In of MODEL 12 1 H GLY 57 H GLY 57 95.490 2.148 0.567 2 HA2 GLY 57 HA2 GLY 57 97.107 4.005 0.397 3 HA3 GLY 57 HA3 GLY 57 97.891 3.365 1.831 No H/Q in entry = 3 In of MODEL 12 1 H ARG 58 H ARG 58 97.658 4.909 3.361 2 HA ARG 58 HA ARG 58 95.131 6.317 3.578 3 HB2 ARG 58 HB2 ARG 58 94.573 5.653 5.728 4 HB3 ARG 58 HB3 ARG 58 95.027 4.157 4.924 5 HG2 ARG 58 HG2 ARG 58 97.195 4.132 5.989 6 HG3 ARG 58 HG3 ARG 58 96.964 5.743 6.657 7 HD2 ARG 58 HD2 ARG 58 96.435 4.407 8.473 8 HD3 ARG 58 HD3 ARG 58 94.860 4.717 7.782 9 HE ARG 58 HE ARG 58 94.949 2.504 6.732 10 HH11 ARG 58 HH11 ARG 58 97.230 3.141 9.300 11 HH12 ARG 58 HH12 ARG 58 97.464 1.467 9.658 12 HH21 ARG 58 HH21 ARG 58 95.298 0.338 7.211 13 HH22 ARG 58 HH22 ARG 58 96.375 -0.110 8.490 No H/Q in entry = 13 In of MODEL 12 1 H LEU 59 H LEU 59 95.120 7.867 5.382 2 HA LEU 59 HA LEU 59 97.508 9.517 5.261 3 HB2 LEU 59 HB2 LEU 59 94.685 9.817 6.033 4 HB3 LEU 59 HB3 LEU 59 95.772 10.819 6.962 5 HG LEU 59 HG LEU 59 96.737 11.529 4.642 6 HD11 LEU 59 HD11 LEU 59 94.015 10.511 3.844 7 HD12 LEU 59 HD12 LEU 59 95.081 11.452 2.847 8 HD13 LEU 59 HD13 LEU 59 95.535 9.828 3.334 9 HD21 LEU 59 HD21 LEU 59 95.282 12.913 6.233 10 HD22 LEU 59 HD22 LEU 59 95.266 13.371 4.538 11 HD23 LEU 59 HD23 LEU 59 93.925 12.469 5.210 No H/Q in entry = 11 In of MODEL 12 1 H ILE 60 H ILE 60 98.335 10.533 7.215 2 HA ILE 60 HA ILE 60 99.275 8.680 9.120 3 HB ILE 60 HB ILE 60 100.236 10.517 10.248 4 HD11 ILE 60 HD11 ILE 60 98.880 12.767 7.591 5 HD12 ILE 60 HD12 ILE 60 97.432 11.917 8.139 6 HD13 ILE 60 HD13 ILE 60 97.720 13.559 8.663 No H/Q in entry = 6 In of MODEL 12 1 H ASP 61 H ASP 61 96.472 10.607 8.947 2 HA ASP 61 HA ASP 61 95.781 10.261 11.769 3 HB2 ASP 61 HB2 ASP 61 95.555 12.441 10.446 4 HB3 ASP 61 HB3 ASP 61 94.137 11.701 9.697 No H/Q in entry = 4 In of MODEL 12 1 H GLY 62 H GLY 62 95.543 8.315 9.211 2 HA2 GLY 62 HA2 GLY 62 93.195 6.974 10.327 3 HA3 GLY 62 HA3 GLY 62 94.361 6.292 9.229 No H/Q in entry = 3 In of MODEL 12 1 H THR 63 H THR 63 93.474 9.285 7.976 2 HA THR 63 HA THR 63 90.951 8.531 6.822 3 HB THR 63 HB THR 63 92.777 10.621 5.670 4 HG1 THR 63 HG1 THR 63 92.494 10.772 8.015 5 HG21 THR 63 HG21 THR 63 90.601 9.875 4.579 6 HG22 THR 63 HG22 THR 63 89.795 10.604 5.957 7 HG23 THR 63 HG23 THR 63 90.772 11.603 4.889 No H/Q in entry = 7 In of MODEL 12 1 H VAL 64 H VAL 64 90.861 6.799 5.544 2 HA VAL 64 HA VAL 64 93.019 6.043 3.802 3 HB VAL 64 HB VAL 64 90.224 4.945 3.960 No H/Q in entry = 3 In of MODEL 12 1 H PHE 65 H PHE 65 93.393 6.528 1.809 2 HA PHE 65 HA PHE 65 91.257 7.939 0.310 3 HB2 PHE 65 HB2 PHE 65 92.876 9.387 -0.655 4 HB3 PHE 65 HB3 PHE 65 93.140 9.375 1.084 5 HD1 PHE 65 HD1 PHE 65 94.934 7.992 2.056 6 HD2 PHE 65 HD2 PHE 65 94.626 8.683 -2.156 7 HE1 PHE 65 HE1 PHE 65 97.337 7.433 1.800 8 HE2 PHE 65 HE2 PHE 65 97.030 8.118 -2.423 9 HZ PHE 65 HZ PHE 65 98.382 7.521 -0.432 No H/Q in entry = 9 In of MODEL 12 1 H ASP 66 H ASP 66 93.366 5.296 0.388 2 HA ASP 66 HA ASP 66 92.371 4.422 -2.189 3 HB2 ASP 66 HB2 ASP 66 94.510 5.780 -2.623 4 HB3 ASP 66 HB3 ASP 66 95.367 4.451 -1.855 No H/Q in entry = 4 In of MODEL 12 1 H SER 67 H SER 67 92.624 2.169 -2.564 2 HA SER 67 HA SER 67 94.024 0.553 -0.681 3 HB2 SER 67 HB2 SER 67 92.137 -0.589 0.300 4 HB3 SER 67 HB3 SER 67 92.052 1.135 0.646 5 HG SER 67 HG SER 67 90.640 1.288 -1.201 No H/Q in entry = 5 In of MODEL 12 1 H THR 68 H THR 68 94.063 -1.686 -1.122 2 HA THR 68 HA THR 68 92.745 -2.664 -3.532 3 HB THR 68 HB THR 68 95.759 -2.490 -3.391 4 HG1 THR 68 HG1 THR 68 94.126 -1.350 -5.366 5 HG21 THR 68 HG21 THR 68 93.853 -3.748 -5.365 6 HG22 THR 68 HG22 THR 68 95.530 -3.383 -5.755 7 HG23 THR 68 HG23 THR 68 95.158 -4.524 -4.475 No H/Q in entry = 7 In of MODEL 12 1 H GLU 69 H GLU 69 95.179 -3.240 -1.017 2 HA GLU 69 HA GLU 69 95.204 -6.047 -1.242 3 HB2 GLU 69 HB2 GLU 69 96.198 -6.068 0.966 4 HB3 GLU 69 HB3 GLU 69 96.923 -4.862 -0.080 5 HG2 GLU 69 HG2 GLU 69 96.638 -3.697 1.904 6 HG3 GLU 69 HG3 GLU 69 95.272 -3.231 0.916 No H/Q in entry = 6 In of MODEL 12 1 H LYS 70 H LYS 70 92.951 -3.861 0.184 2 HA LYS 70 HA LYS 70 91.653 -5.514 1.985 3 HB2 LYS 70 HB2 LYS 70 90.470 -3.467 0.116 4 HB3 LYS 70 HB3 LYS 70 89.640 -4.145 1.517 5 HG2 LYS 70 HG2 LYS 70 92.302 -2.744 1.658 6 HG3 LYS 70 HG3 LYS 70 90.769 -1.907 1.902 7 HD2 LYS 70 HD2 LYS 70 90.302 -3.699 3.718 8 HD3 LYS 70 HD3 LYS 70 92.020 -4.072 3.611 9 HE2 LYS 70 HE2 LYS 70 92.619 -1.809 4.167 10 HE3 LYS 70 HE3 LYS 70 90.930 -1.307 4.146 11 HZ1 LYS 70 HZ1 LYS 70 91.227 -3.533 5.838 12 HZ2 LYS 70 HZ2 LYS 70 92.361 -2.352 6.287 13 HZ3 LYS 70 HZ3 LYS 70 90.708 -1.969 6.229 No H/Q in entry = 13 In of MODEL 12 1 H THR 71 H THR 71 91.344 -5.179 -1.481 2 HA THR 71 HA THR 71 89.390 -7.290 -1.748 3 HB THR 71 HB THR 71 89.907 -7.000 -4.211 4 HG1 THR 71 HG1 THR 71 91.013 -4.705 -4.241 5 HG21 THR 71 HG21 THR 71 88.076 -5.792 -2.981 6 HG22 THR 71 HG22 THR 71 89.195 -4.447 -2.751 7 HG23 THR 71 HG23 THR 71 88.701 -4.914 -4.378 No H/Q in entry = 7 In of MODEL 12 1 H GLY 72 H GLY 72 92.855 -6.878 -1.879 2 HA2 GLY 72 HA2 GLY 72 93.263 -9.717 -1.720 3 HA3 GLY 72 HA3 GLY 72 94.512 -8.480 -1.663 No H/Q in entry = 3 In of MODEL 12 1 H LYS 73 H LYS 73 93.137 -7.381 -4.215 2 HA LYS 73 HA LYS 73 94.108 -9.390 -6.128 3 HB2 LYS 73 HB2 LYS 73 92.150 -7.147 -6.240 4 HB3 LYS 73 HB3 LYS 73 93.003 -7.521 -7.734 5 HG2 LYS 73 HG2 LYS 73 91.129 -8.865 -7.925 6 HG3 LYS 73 HG3 LYS 73 92.269 -9.999 -7.224 7 HD2 LYS 73 HD2 LYS 73 91.304 -9.142 -4.934 8 HD3 LYS 73 HD3 LYS 73 89.966 -8.567 -5.911 9 HE2 LYS 73 HE2 LYS 73 89.510 -10.772 -6.685 10 HE3 LYS 73 HE3 LYS 73 90.965 -11.422 -5.951 11 HZ1 LYS 73 HZ1 LYS 73 89.895 -10.423 -3.810 12 HZ2 LYS 73 HZ2 LYS 73 88.453 -10.577 -4.695 13 HZ3 LYS 73 HZ3 LYS 73 89.412 -11.944 -4.383 No H/Q in entry = 13 In of MODEL 12 1 HA PRO 74 HA PRO 74 97.818 -6.932 -6.293 2 HB2 PRO 74 HB2 PRO 74 98.515 -8.685 -8.591 3 HB3 PRO 74 HB3 PRO 74 99.423 -8.329 -7.113 4 HG2 PRO 74 HG2 PRO 74 98.226 -10.670 -7.433 5 HG3 PRO 74 HG3 PRO 74 98.242 -9.854 -5.866 6 HD2 PRO 74 HD2 PRO 74 96.041 -10.000 -7.877 7 HD3 PRO 74 HD3 PRO 74 96.016 -10.194 -6.116 No H/Q in entry = 7 In of MODEL 12 1 H ALA 75 H ALA 75 98.757 -5.404 -7.582 2 HA ALA 75 HA ALA 75 97.418 -4.718 -10.138 3 HB1 ALA 75 HB1 ALA 75 96.929 -3.198 -8.079 4 HB2 ALA 75 HB2 ALA 75 97.417 -2.434 -9.592 5 HB3 ALA 75 HB3 ALA 75 98.590 -2.653 -8.299 No H/Q in entry = 5 In of MODEL 12 1 H THR 76 H THR 76 98.890 -3.857 -11.749 2 HA THR 76 HA THR 76 101.703 -4.510 -11.164 3 HB THR 76 HB THR 76 101.037 -5.770 -12.994 4 HG1 THR 76 HG1 THR 76 101.862 -3.709 -14.588 5 HG21 THR 76 HG21 THR 76 99.631 -3.272 -13.971 6 HG22 THR 76 HG22 THR 76 99.822 -4.733 -14.939 7 HG23 THR 76 HG23 THR 76 98.881 -4.782 -13.449 No H/Q in entry = 7 In of MODEL 12 1 H PHE 77 H PHE 77 103.270 -3.084 -11.142 2 HA PHE 77 HA PHE 77 102.838 -0.422 -12.327 3 HB2 PHE 77 HB2 PHE 77 104.151 -0.824 -9.655 4 HB3 PHE 77 HB3 PHE 77 103.754 0.685 -10.441 5 HD1 PHE 77 HD1 PHE 77 102.850 -1.159 -7.801 6 HD2 PHE 77 HD2 PHE 77 101.053 0.522 -11.301 7 HE1 PHE 77 HE1 PHE 77 100.657 -1.144 -6.659 8 HE2 PHE 77 HE2 PHE 77 98.873 0.593 -10.161 9 HZ PHE 77 HZ PHE 77 98.654 -0.252 -7.835 No H/Q in entry = 9 In of MODEL 12 1 H GLN 78 H GLN 78 104.661 0.595 -12.940 2 HA GLN 78 HA GLN 78 107.048 -1.075 -13.180 3 HB2 GLN 78 HB2 GLN 78 106.163 1.431 -14.571 4 HB3 GLN 78 HB3 GLN 78 107.822 0.874 -14.657 5 HG2 GLN 78 HG2 GLN 78 106.955 -1.326 -15.464 6 HG3 GLN 78 HG3 GLN 78 105.360 -0.603 -15.550 7 HE21 GLN 78 HE21 GLN 78 107.455 1.834 -16.186 8 HE22 GLN 78 HE22 GLN 78 107.516 1.758 -17.878 No H/Q in entry = 8 In of MODEL 12 1 H VAL 79 H VAL 79 108.644 -0.774 -11.777 2 HA VAL 79 HA VAL 79 108.379 0.823 -9.569 3 HB VAL 79 HB VAL 79 111.019 0.022 -10.796 No H/Q in entry = 3 In of MODEL 12 1 H SER 80 H SER 80 109.509 1.738 -12.768 2 HA SER 80 HA SER 80 110.768 4.155 -11.895 3 HB2 SER 80 HB2 SER 80 111.465 3.089 -13.946 4 HB3 SER 80 HB3 SER 80 109.865 3.321 -14.635 5 HG SER 80 HG SER 80 111.295 5.501 -13.586 No H/Q in entry = 5 In of MODEL 12 1 H GLN 81 H GLN 81 107.535 3.251 -12.726 2 HA GLN 81 HA GLN 81 106.712 6.075 -13.010 3 HB2 GLN 81 HB2 GLN 81 105.017 3.592 -13.284 4 HB3 GLN 81 HB3 GLN 81 104.592 5.232 -13.760 5 HG2 GLN 81 HG2 GLN 81 106.818 3.555 -14.947 6 HG3 GLN 81 HG3 GLN 81 105.251 3.949 -15.722 7 HE21 GLN 81 HE21 GLN 81 108.304 4.739 -16.190 8 HE22 GLN 81 HE22 GLN 81 108.196 6.408 -16.473 No H/Q in entry = 8 In of MODEL 12 1 H VAL 82 H VAL 82 106.941 3.755 -10.519 2 HA VAL 82 HA VAL 82 104.496 4.578 -9.206 3 HB VAL 82 HB VAL 82 105.660 2.272 -9.171 No H/Q in entry = 3 In of MODEL 12 1 H ILE 83 H ILE 83 104.590 5.277 -6.808 2 HA ILE 83 HA ILE 83 105.673 7.813 -6.721 3 HB ILE 83 HB ILE 83 105.448 6.728 -3.997 4 HD11 ILE 83 HD11 ILE 83 103.427 6.258 -2.884 5 HD12 ILE 83 HD12 ILE 83 102.174 6.998 -3.883 6 HD13 ILE 83 HD13 ILE 83 102.221 5.253 -3.669 No H/Q in entry = 6 In of MODEL 12 1 HA PRO 84 HA PRO 84 110.040 7.396 -5.920 2 HB2 PRO 84 HB2 PRO 84 109.740 9.123 -3.497 3 HB3 PRO 84 HB3 PRO 84 110.853 9.298 -4.865 4 HG2 PRO 84 HG2 PRO 84 108.724 10.864 -4.621 5 HG3 PRO 84 HG3 PRO 84 109.245 10.276 -6.198 6 HD2 PRO 84 HD2 PRO 84 106.972 9.375 -4.538 7 HD3 PRO 84 HD3 PRO 84 107.073 9.480 -6.298 No H/Q in entry = 7 In of MODEL 12 1 H GLY 85 H GLY 85 108.145 7.435 -2.901 2 HA2 GLY 85 HA2 GLY 85 108.232 6.038 -1.075 3 HA3 GLY 85 HA3 GLY 85 109.971 6.029 -1.305 No H/Q in entry = 3 In of MODEL 12 1 H TRP 86 H TRP 86 107.281 4.907 -3.238 2 HA TRP 86 HA TRP 86 107.549 2.116 -2.778 3 HB2 TRP 86 HB2 TRP 86 106.178 3.905 -4.752 4 HB3 TRP 86 HB3 TRP 86 106.320 2.202 -5.160 5 HD1 TRP 86 HD1 TRP 86 105.045 4.278 -2.107 6 HE1 TRP 86 HE1 TRP 86 102.947 3.118 -1.232 7 HE3 TRP 86 HE3 TRP 86 104.990 0.258 -5.170 8 HZ2 TRP 86 HZ2 TRP 86 101.454 0.739 -1.773 9 HZ3 TRP 86 HZ3 TRP 86 103.232 -1.439 -4.966 10 HH2 TRP 86 HH2 TRP 86 101.446 -1.201 -3.270 No H/Q in entry = 10 In of MODEL 12 1 H THR 87 H THR 87 108.975 4.328 -5.150 2 HA THR 87 HA THR 87 109.938 2.557 -7.013 3 HB THR 87 HB THR 87 111.482 4.933 -5.979 4 HG1 THR 87 HG1 THR 87 109.133 4.709 -7.474 5 HG21 THR 87 HG21 THR 87 112.471 3.310 -7.730 6 HG22 THR 87 HG22 THR 87 111.244 3.957 -8.802 7 HG23 THR 87 HG23 THR 87 112.441 5.020 -8.131 No H/Q in entry = 7 In of MODEL 12 1 H GLU 88 H GLU 88 111.666 3.706 -4.134 2 HA GLU 88 HA GLU 88 113.860 1.917 -4.476 3 HB2 GLU 88 HB2 GLU 88 113.928 4.139 -3.313 4 HB3 GLU 88 HB3 GLU 88 113.066 3.386 -1.967 5 HG2 GLU 88 HG2 GLU 88 114.853 1.762 -1.666 6 HG3 GLU 88 HG3 GLU 88 115.697 2.381 -3.083 No H/Q in entry = 6 In of MODEL 12 1 H ALA 89 H ALA 89 111.022 1.886 -2.342 2 HA ALA 89 HA ALA 89 111.709 -0.260 -0.719 3 HB1 ALA 89 HB1 ALA 89 108.985 0.583 -1.692 4 HB2 ALA 89 HB2 ALA 89 109.806 1.106 -0.221 5 HB3 ALA 89 HB3 ALA 89 109.288 -0.566 -0.396 No H/Q in entry = 5 In of MODEL 12 1 H LEU 90 H LEU 90 109.893 -0.451 -3.826 2 HA LEU 90 HA LEU 90 109.358 -3.199 -3.725 3 HB2 LEU 90 HB2 LEU 90 109.958 -1.495 -6.153 4 HB3 LEU 90 HB3 LEU 90 109.205 -3.072 -6.191 5 HG LEU 90 HG LEU 90 108.060 -0.755 -4.634 6 HD11 LEU 90 HD11 LEU 90 107.630 -1.621 -7.477 7 HD12 LEU 90 HD12 LEU 90 106.482 -0.611 -6.631 8 HD13 LEU 90 HD13 LEU 90 108.127 -0.046 -6.908 9 HD21 LEU 90 HD21 LEU 90 107.070 -3.454 -5.484 10 HD22 LEU 90 HD22 LEU 90 107.093 -2.777 -3.878 11 HD23 LEU 90 HD23 LEU 90 105.957 -2.179 -5.078 No H/Q in entry = 11 In of MODEL 12 1 H GLN 91 H GLN 91 112.132 -1.425 -4.949 2 HA GLN 91 HA GLN 91 113.539 -3.569 -6.055 3 HB2 GLN 91 HB2 GLN 91 114.552 -0.996 -4.855 4 HB3 GLN 91 HB3 GLN 91 115.481 -2.062 -5.907 5 HG2 GLN 91 HG2 GLN 91 113.892 -1.719 -7.721 6 HG3 GLN 91 HG3 GLN 91 112.858 -0.761 -6.669 7 HE21 GLN 91 HE21 GLN 91 113.063 1.338 -7.552 8 HE22 GLN 91 HE22 GLN 91 114.551 2.125 -7.782 No H/Q in entry = 8 In of MODEL 12 1 H LEU 92 H LEU 92 113.114 -2.506 -2.784 2 HA LEU 92 HA LEU 92 115.307 -4.242 -1.823 3 HB2 LEU 92 HB2 LEU 92 113.607 -2.233 -0.337 4 HB3 LEU 92 HB3 LEU 92 114.987 -3.109 0.323 5 HG LEU 92 HG LEU 92 115.149 -1.226 -2.040 6 HD11 LEU 92 HD11 LEU 92 115.793 -0.790 0.862 7 HD12 LEU 92 HD12 LEU 92 116.216 0.310 -0.450 8 HD13 LEU 92 HD13 LEU 92 114.525 -0.001 -0.074 9 HD21 LEU 92 HD21 LEU 92 117.175 -2.731 -0.413 10 HD22 LEU 92 HD22 LEU 92 116.985 -2.717 -2.164 11 HD23 LEU 92 HD23 LEU 92 117.606 -1.298 -1.335 No H/Q in entry = 11 In of MODEL 12 1 H MET 93 H MET 93 111.933 -4.232 -2.238 2 HA MET 93 HA MET 93 111.386 -5.963 0.024 3 HB2 MET 93 HB2 MET 93 109.733 -4.337 -0.594 4 HB3 MET 93 HB3 MET 93 109.657 -4.988 -2.231 5 HG2 MET 93 HG2 MET 93 108.577 -6.956 -1.533 6 HG3 MET 93 HG3 MET 93 109.128 -6.781 0.133 7 HE1 MET 93 HE1 MET 93 107.428 -5.286 -2.706 8 HE2 MET 93 HE2 MET 93 105.794 -5.695 -2.210 9 HE3 MET 93 HE3 MET 93 106.364 -4.035 -2.077 No H/Q in entry = 9 In of MODEL 12 1 HA PRO 94 HA PRO 94 112.367 -9.542 -2.715 2 HB2 PRO 94 HB2 PRO 94 111.920 -11.126 -0.276 3 HB3 PRO 94 HB3 PRO 94 113.354 -11.054 -1.309 4 HG2 PRO 94 HG2 PRO 94 113.331 -9.983 1.137 5 HG3 PRO 94 HG3 PRO 94 114.194 -9.207 -0.204 6 HD2 PRO 94 HD2 PRO 94 111.507 -8.539 0.929 7 HD3 PRO 94 HD3 PRO 94 112.835 -7.474 0.485 No H/Q in entry = 7 In of MODEL 12 1 H ALA 95 H ALA 95 111.118 -11.084 -3.717 2 HA ALA 95 HA ALA 95 108.334 -10.760 -3.600 3 HB1 ALA 95 HB1 ALA 95 110.005 -12.857 -4.929 4 HB2 ALA 95 HB2 ALA 95 108.245 -12.767 -5.079 5 HB3 ALA 95 HB3 ALA 95 109.246 -11.440 -5.663 No H/Q in entry = 5 In of MODEL 12 1 H GLY 96 H GLY 96 106.729 -11.755 -2.671 2 HA2 GLY 96 HA2 GLY 96 107.207 -14.209 -1.145 3 HA3 GLY 96 HA3 GLY 96 105.650 -13.474 -1.525 No H/Q in entry = 3 In of MODEL 12 1 H SER 97 H SER 97 108.117 -11.313 -0.538 2 HA SER 97 HA SER 97 107.405 -11.417 2.285 3 HB2 SER 97 HB2 SER 97 109.251 -10.030 2.634 4 HB3 SER 97 HB3 SER 97 109.749 -10.919 1.195 5 HG SER 97 HG SER 97 108.854 -9.155 -0.025 No H/Q in entry = 5 In of MODEL 12 1 H THR 98 H THR 98 106.037 -10.087 3.285 2 HA THR 98 HA THR 98 104.685 -8.021 1.682 3 HB THR 98 HB THR 98 103.746 -9.355 4.226 4 HG1 THR 98 HG1 THR 98 103.886 -10.517 2.044 5 HG21 THR 98 HG21 THR 98 102.505 -7.389 2.286 6 HG22 THR 98 HG22 THR 98 101.586 -8.314 3.474 7 HG23 THR 98 HG23 THR 98 102.814 -7.169 4.004 No H/Q in entry = 7 In of MODEL 12 1 H TRP 99 H TRP 99 105.472 -6.052 2.006 2 HA TRP 99 HA TRP 99 106.390 -5.345 4.733 3 HB2 TRP 99 HB2 TRP 99 107.199 -4.200 2.059 4 HB3 TRP 99 HB3 TRP 99 107.689 -3.530 3.601 5 HD1 TRP 99 HD1 TRP 99 107.767 -7.250 3.796 6 HE1 TRP 99 HE1 TRP 99 110.160 -8.096 3.599 7 HE3 TRP 99 HE3 TRP 99 110.017 -2.955 2.193 8 HZ2 TRP 99 HZ2 TRP 99 112.739 -7.075 2.872 9 HZ3 TRP 99 HZ3 TRP 99 112.465 -2.934 1.758 10 HH2 TRP 99 HH2 TRP 99 113.821 -4.983 2.099 No H/Q in entry = 10 In of MODEL 12 1 H GLU 100 H GLU 100 106.198 -3.119 5.303 2 HA GLU 100 HA GLU 100 103.914 -1.675 4.123 3 HB2 GLU 100 HB2 GLU 100 104.588 -2.089 7.037 4 HB3 GLU 100 HB3 GLU 100 103.639 -0.707 6.503 5 HG2 GLU 100 HG2 GLU 100 101.980 -2.148 5.521 6 HG3 GLU 100 HG3 GLU 100 102.928 -3.575 5.884 No H/Q in entry = 6 In of MODEL 12 1 H ILE 101 H ILE 101 104.579 0.292 3.377 2 HA ILE 101 HA ILE 101 107.010 1.401 4.545 3 HB ILE 101 HB ILE 101 107.891 2.018 2.518 4 HD11 ILE 101 HD11 ILE 101 107.866 2.782 0.288 5 HD12 ILE 101 HD12 ILE 101 107.179 1.254 -0.256 6 HD13 ILE 101 HD13 ILE 101 106.398 2.769 -0.675 No H/Q in entry = 6 In of MODEL 12 1 H TYR 102 H TYR 102 107.082 3.385 5.143 2 HA TYR 102 HA TYR 102 104.574 4.946 5.039 3 HB2 TYR 102 HB2 TYR 102 106.899 5.146 6.961 4 HB3 TYR 102 HB3 TYR 102 105.366 5.960 7.117 5 HD1 TYR 102 HD1 TYR 102 106.394 2.363 6.458 6 HD2 TYR 102 HD2 TYR 102 104.073 5.047 8.860 7 HE1 TYR 102 HE1 TYR 102 105.508 0.464 7.678 8 HE2 TYR 102 HE2 TYR 102 103.181 3.117 10.125 9 HH TYR 102 HH TYR 102 103.956 -0.210 9.169 No H/Q in entry = 9 In of MODEL 12 1 H VAL 103 H VAL 103 104.819 6.165 3.280 2 HA VAL 103 HA VAL 103 107.360 7.142 2.467 3 HB VAL 103 HB VAL 103 104.758 7.698 1.149 No H/Q in entry = 3 In of MODEL 12 1 HA PRO 104 HA PRO 104 106.908 11.190 4.436 2 HB2 PRO 104 HB2 PRO 104 109.090 11.747 2.457 3 HB3 PRO 104 HB3 PRO 104 109.029 12.125 4.190 4 HG2 PRO 104 HG2 PRO 104 110.516 10.104 3.228 5 HG3 PRO 104 HG3 PRO 104 109.732 10.016 4.803 6 HD2 PRO 104 HD2 PRO 104 109.038 8.621 2.297 7 HD3 PRO 104 HD3 PRO 104 108.705 8.164 3.986 No H/Q in entry = 7 In of MODEL 12 1 H SER 105 H SER 105 105.812 13.021 3.725 2 HA SER 105 HA SER 105 104.241 12.914 1.483 3 HB2 SER 105 HB2 SER 105 103.911 15.338 1.743 4 HB3 SER 105 HB3 SER 105 103.842 14.504 3.291 5 HG SER 105 HG SER 105 105.425 15.733 3.885 No H/Q in entry = 5 In of MODEL 12 1 H GLY 106 H GLY 106 107.508 14.160 1.790 2 HA2 GLY 106 HA2 GLY 106 109.040 14.869 0.219 3 HA3 GLY 106 HA3 GLY 106 107.679 15.414 -0.753 No H/Q in entry = 3 In of MODEL 12 1 H LEU 107 H LEU 107 108.119 12.122 0.355 2 HA LEU 107 HA LEU 107 109.008 11.253 -2.329 3 HB2 LEU 107 HB2 LEU 107 108.844 9.668 0.248 4 HB3 LEU 107 HB3 LEU 107 109.577 9.136 -1.244 5 HG LEU 107 HG LEU 107 110.527 11.383 0.539 6 HD11 LEU 107 HD11 LEU 107 111.105 9.072 1.224 7 HD12 LEU 107 HD12 LEU 107 111.856 8.824 -0.347 8 HD13 LEU 107 HD13 LEU 107 112.526 10.008 0.768 9 HD21 LEU 107 HD21 LEU 107 111.364 10.595 -2.241 10 HD22 LEU 107 HD22 LEU 107 110.960 12.202 -1.645 11 HD23 LEU 107 HD23 LEU 107 112.466 11.435 -1.154 No H/Q in entry = 11 In of MODEL 12 1 H ALA 108 H ALA 108 106.107 11.754 -0.848 2 HA ALA 108 HA ALA 108 104.894 9.308 -1.916 3 HB1 ALA 108 HB1 ALA 108 103.614 11.308 -0.065 4 HB2 ALA 108 HB2 ALA 108 103.047 9.702 -0.484 5 HB3 ALA 108 HB3 ALA 108 104.482 9.904 0.488 No H/Q in entry = 5 In of MODEL 12 1 H TYR 109 H TYR 109 102.810 11.984 -1.330 2 HA TYR 109 HA TYR 109 102.494 12.262 -4.212 3 HB2 TYR 109 HB2 TYR 109 100.541 12.444 -1.975 4 HB3 TYR 109 HB3 TYR 109 100.179 13.125 -3.567 5 HD1 TYR 109 HD1 TYR 109 100.310 10.127 -1.651 6 HD2 TYR 109 HD2 TYR 109 100.667 11.618 -5.650 7 HE1 TYR 109 HE1 TYR 109 99.971 7.874 -2.527 8 HE2 TYR 109 HE2 TYR 109 100.390 9.356 -6.526 9 HH TYR 109 HH TYR 109 99.552 6.668 -4.354 No H/Q in entry = 9 In of MODEL 12 1 H GLY 110 H GLY 110 104.108 13.893 -2.004 2 HA2 GLY 110 HA2 GLY 110 103.624 16.437 -3.439 3 HA3 GLY 110 HA3 GLY 110 105.145 15.942 -2.730 No H/Q in entry = 3 In of MODEL 12 1 HA PRO 111 HA PRO 111 104.195 18.215 0.921 2 HB2 PRO 111 HB2 PRO 111 105.095 20.682 0.331 3 HB3 PRO 111 HB3 PRO 111 106.193 19.299 0.466 4 HG2 PRO 111 HG2 PRO 111 105.057 20.546 -1.997 5 HG3 PRO 111 HG3 PRO 111 106.724 20.039 -1.664 6 HD2 PRO 111 HD2 PRO 111 104.969 18.507 -3.086 7 HD3 PRO 111 HD3 PRO 111 106.262 17.809 -2.099 No H/Q in entry = 7 In of MODEL 12 1 H ARG 112 H ARG 112 102.736 19.014 -2.041 2 HA ARG 112 HA ARG 112 100.824 20.951 -0.896 3 HB2 ARG 112 HB2 ARG 112 101.443 20.061 -3.721 4 HB3 ARG 112 HB3 ARG 112 100.164 21.202 -3.308 5 HG2 ARG 112 HG2 ARG 112 101.705 22.830 -2.532 6 HG3 ARG 112 HG3 ARG 112 103.024 21.659 -2.444 7 HD2 ARG 112 HD2 ARG 112 101.659 22.354 -5.051 8 HD3 ARG 112 HD3 ARG 112 103.050 23.258 -4.455 9 HE ARG 112 HE ARG 112 104.055 20.819 -4.332 10 HH11 ARG 112 HH11 ARG 112 102.029 22.213 -6.786 11 HH12 ARG 112 HH12 ARG 112 102.676 21.229 -8.054 12 HH21 ARG 112 HH21 ARG 112 104.888 19.542 -5.989 13 HH22 ARG 112 HH22 ARG 112 104.294 19.719 -7.606 No H/Q in entry = 13 In of MODEL 12 1 H SER 113 H SER 113 98.490 20.609 -1.587 2 HA SER 113 HA SER 113 97.696 17.914 -1.011 3 HB2 SER 113 HB2 SER 113 95.848 20.042 -2.046 4 HB3 SER 113 HB3 SER 113 95.509 18.731 -0.923 5 HG SER 113 HG SER 113 95.822 20.953 -0.052 No H/Q in entry = 5 In of MODEL 12 1 H VAL 114 H VAL 114 98.321 16.522 -2.609 2 HA VAL 114 HA VAL 114 97.405 17.105 -5.373 3 HB VAL 114 HB VAL 114 99.397 14.986 -4.606 No H/Q in entry = 3 In of MODEL 12 1 H GLY 115 H GLY 115 95.276 16.310 -4.025 2 HA2 GLY 115 HA2 GLY 115 95.053 13.466 -3.734 3 HA3 GLY 115 HA3 GLY 115 94.366 14.016 -5.253 No H/Q in entry = 3 In of MODEL 12 1 H GLY 116 H GLY 116 92.599 12.835 -3.805 2 HA2 GLY 116 HA2 GLY 116 90.532 13.003 -2.816 3 HA3 GLY 116 HA3 GLY 116 90.564 14.683 -3.303 No H/Q in entry = 3 In of MODEL 12 1 HA PRO 117 HA PRO 117 90.425 14.661 1.316 2 HB2 PRO 117 HB2 PRO 117 91.253 12.471 2.745 3 HB3 PRO 117 HB3 PRO 117 89.607 12.701 2.152 4 HG2 PRO 117 HG2 PRO 117 91.809 11.109 0.983 5 HG3 PRO 117 HG3 PRO 117 90.103 10.727 1.082 6 HD2 PRO 117 HD2 PRO 117 91.225 11.578 -1.208 7 HD3 PRO 117 HD3 PRO 117 89.566 12.025 -0.759 No H/Q in entry = 7 In of MODEL 12 1 H ILE 118 H ILE 118 93.204 13.468 -0.230 2 HA ILE 118 HA ILE 118 95.131 13.948 1.807 3 HB ILE 118 HB ILE 118 95.556 14.176 -1.180 4 HD11 ILE 118 HD11 ILE 118 94.053 12.636 -1.811 5 HD12 ILE 118 HD12 ILE 118 94.495 10.943 -1.708 6 HD13 ILE 118 HD13 ILE 118 93.493 11.663 -0.462 No H/Q in entry = 6 In of MODEL 12 1 H GLY 119 H GLY 119 95.453 15.901 2.687 2 HA2 GLY 119 HA2 GLY 119 95.121 18.208 2.942 3 HA3 GLY 119 HA3 GLY 119 94.760 18.351 1.240 No H/Q in entry = 3 In of MODEL 12 1 HA PRO 120 HA PRO 120 98.934 19.839 0.936 2 HB2 PRO 120 HB2 PRO 120 99.394 21.845 2.686 3 HB3 PRO 120 HB3 PRO 120 98.278 22.028 1.330 4 HG2 PRO 120 HG2 PRO 120 97.645 21.356 4.153 5 HG3 PRO 120 HG3 PRO 120 96.882 22.536 3.121 6 HD2 PRO 120 HD2 PRO 120 95.810 20.110 3.578 7 HD3 PRO 120 HD3 PRO 120 95.649 20.903 1.992 No H/Q in entry = 7 In of MODEL 12 1 H ASN 121 H ASN 121 101.028 19.374 1.539 2 HA ASN 121 HA ASN 121 102.665 18.195 2.619 3 HB2 ASN 121 HB2 ASN 121 102.313 20.573 3.770 4 HB3 ASN 121 HB3 ASN 121 101.937 19.578 5.173 5 HD21 ASN 121 HD21 ASN 121 103.681 17.965 5.830 6 HD22 ASN 121 HD22 ASN 121 105.299 18.335 5.478 No H/Q in entry = 6 In of MODEL 12 1 H GLU 122 H GLU 122 100.933 16.322 2.418 2 HA GLU 122 HA GLU 122 100.525 15.168 5.112 3 HB2 GLU 122 HB2 GLU 122 98.904 13.770 3.238 4 HB3 GLU 122 HB3 GLU 122 98.368 14.818 4.549 5 HG2 GLU 122 HG2 GLU 122 97.494 15.618 2.435 6 HG3 GLU 122 HG3 GLU 122 98.669 16.769 3.066 No H/Q in entry = 6 In of MODEL 12 1 H THR 123 H THR 123 101.239 13.262 5.604 2 HA THR 123 HA THR 123 103.079 11.957 3.723 3 HB THR 123 HB THR 123 102.583 11.535 6.669 4 HG1 THR 123 HG1 THR 123 103.687 13.511 5.635 5 HG21 THR 123 HG21 THR 123 103.435 9.521 5.475 6 HG22 THR 123 HG22 THR 123 104.779 10.481 4.898 7 HG23 THR 123 HG23 THR 123 104.596 10.172 6.622 No H/Q in entry = 7 In of MODEL 12 1 H LEU 124 H LEU 124 102.544 10.118 2.737 2 HA LEU 124 HA LEU 124 100.077 8.710 3.613 3 HB2 LEU 124 HB2 LEU 124 101.379 8.785 0.878 4 HB3 LEU 124 HB3 LEU 124 99.931 7.887 1.285 5 HG LEU 124 HG LEU 124 99.058 9.814 0.281 6 HD11 LEU 124 HD11 LEU 124 98.160 9.474 2.612 7 HD12 LEU 124 HD12 LEU 124 99.215 10.797 3.090 8 HD13 LEU 124 HD13 LEU 124 97.947 11.081 1.920 9 HD21 LEU 124 HD21 LEU 124 101.284 10.972 0.179 10 HD22 LEU 124 HD22 LEU 124 99.901 12.022 0.453 11 HD23 LEU 124 HD23 LEU 124 100.945 11.582 1.786 No H/Q in entry = 11 In of MODEL 12 1 H ILE 125 H ILE 125 100.088 6.555 3.854 2 HA ILE 125 HA ILE 125 102.671 5.116 3.660 3 HB ILE 125 HB ILE 125 102.299 5.271 5.996 4 HD11 ILE 125 HD11 ILE 125 101.891 3.745 7.709 5 HD12 ILE 125 HD12 ILE 125 100.772 2.423 7.424 6 HD13 ILE 125 HD13 ILE 125 102.499 2.169 7.252 No H/Q in entry = 6 In of MODEL 12 1 H PHE 126 H PHE 126 102.546 2.994 2.945 2 HA PHE 126 HA PHE 126 99.898 2.011 2.190 3 HB2 PHE 126 HB2 PHE 126 102.156 1.657 0.257 4 HB3 PHE 126 HB3 PHE 126 100.409 1.587 -0.023 5 HD1 PHE 126 HD1 PHE 126 99.326 3.465 -0.920 6 HD2 PHE 126 HD2 PHE 126 103.088 3.930 1.082 7 HE1 PHE 126 HE1 PHE 126 99.375 5.865 -1.556 8 HE2 PHE 126 HE2 PHE 126 103.122 6.315 0.452 9 HZ PHE 126 HZ PHE 126 101.284 7.285 -0.849 No H/Q in entry = 9 In of MODEL 12 1 H LYS 127 H LYS 127 99.714 -0.230 2.002 2 HA LYS 127 HA LYS 127 101.850 -1.727 3.324 3 HB2 LYS 127 HB2 LYS 127 99.353 -3.191 2.797 4 HB3 LYS 127 HB3 LYS 127 100.211 -2.979 4.304 5 HG2 LYS 127 HG2 LYS 127 98.377 -0.928 3.080 6 HG3 LYS 127 HG3 LYS 127 97.922 -2.049 4.352 7 HD2 LYS 127 HD2 LYS 127 99.658 -1.102 5.836 8 HD3 LYS 127 HD3 LYS 127 100.104 0.049 4.589 9 HE2 LYS 127 HE2 LYS 127 97.855 1.015 4.631 10 HE3 LYS 127 HE3 LYS 127 97.361 -0.169 5.842 11 HZ1 LYS 127 HZ1 LYS 127 99.335 0.742 7.168 12 HZ2 LYS 127 HZ2 LYS 127 99.255 2.076 6.117 13 HZ3 LYS 127 HZ3 LYS 127 97.923 1.680 7.088 No H/Q in entry = 13 In of MODEL 12 1 H ILE 128 H ILE 128 103.138 -2.932 2.012 2 HA ILE 128 HA ILE 128 101.983 -3.531 -0.670 3 HB ILE 128 HB ILE 128 104.943 -3.208 -0.242 4 HD11 ILE 128 HD11 ILE 128 104.988 -0.672 -2.021 5 HD12 ILE 128 HD12 ILE 128 104.732 0.546 -0.786 6 HD13 ILE 128 HD13 ILE 128 105.887 -0.744 -0.502 No H/Q in entry = 6 In of MODEL 12 1 H HIS 129 H HIS 129 101.625 -5.462 -1.099 2 HA HIS 129 HA HIS 129 103.207 -7.657 0.089 3 HB2 HIS 129 HB2 HIS 129 100.848 -7.799 0.669 4 HB3 HIS 129 HB3 HIS 129 100.400 -7.585 -1.022 5 HD2 HIS 129 HD2 HIS 129 103.267 -10.137 0.013 6 HE1 HIS 129 HE1 HIS 129 100.004 -12.253 -1.652 7 HE2 HIS 129 HE2 HIS 129 102.410 -12.448 -0.896 No H/Q in entry = 7 In of MODEL 12 1 H LEU 130 H LEU 130 104.590 -8.664 -1.303 2 HA LEU 130 HA LEU 130 104.227 -8.125 -4.154 3 HB2 LEU 130 HB2 LEU 130 106.476 -8.124 -2.550 4 HB3 LEU 130 HB3 LEU 130 106.588 -9.645 -3.384 5 HG LEU 130 HG LEU 130 106.163 -7.007 -4.748 6 HD11 LEU 130 HD11 LEU 130 108.628 -8.688 -4.373 7 HD12 LEU 130 HD12 LEU 130 108.515 -7.468 -5.623 8 HD13 LEU 130 HD13 LEU 130 108.409 -7.007 -3.927 9 HD21 LEU 130 HD21 LEU 130 105.210 -8.967 -5.965 10 HD22 LEU 130 HD22 LEU 130 106.568 -8.270 -6.804 11 HD23 LEU 130 HD23 LEU 130 106.798 -9.733 -5.877 No H/Q in entry = 11 In of MODEL 12 1 H ILE 131 H ILE 131 103.021 -9.460 -5.272 2 HA ILE 131 HA ILE 131 102.875 -12.296 -4.568 3 HB ILE 131 HB ILE 131 101.308 -10.560 -6.495 4 HD11 ILE 131 HD11 ILE 131 100.239 -9.065 -5.067 5 HD12 ILE 131 HD12 ILE 131 99.716 -9.508 -3.448 6 HD13 ILE 131 HD13 ILE 131 101.426 -9.374 -3.801 No H/Q in entry = 6 In of MODEL 12 1 H SER 132 H SER 132 103.735 -10.252 -7.390 2 HA SER 132 HA SER 132 105.523 -12.375 -8.309 3 HB2 SER 132 HB2 SER 132 104.483 -12.847 -10.332 4 HB3 SER 132 HB3 SER 132 103.084 -12.634 -9.279 5 HG SER 132 HG SER 132 103.831 -11.214 -11.436 No H/Q in entry = 5 In of MODEL 12 1 H VAL 133 H VAL 133 106.985 -11.689 -9.968 2 HA VAL 133 HA VAL 133 107.221 -8.743 -10.285 3 HB VAL 133 HB VAL 133 109.453 -10.726 -9.732 No H/Q in entry = 3 In of MODEL 12 1 H LYS 134 H LYS 134 107.655 -8.097 -12.324 2 HA LYS 134 HA LYS 134 107.574 -9.895 -14.490 3 HB2 LYS 134 HB2 LYS 134 106.568 -7.734 -14.723 4 HB3 LYS 134 HB3 LYS 134 108.063 -6.983 -14.194 5 HG2 LYS 134 HG2 LYS 134 107.702 -6.748 -16.640 6 HG3 LYS 134 HG3 LYS 134 109.191 -7.585 -16.267 7 HD2 LYS 134 HD2 LYS 134 107.932 -9.756 -16.580 8 HD3 LYS 134 HD3 LYS 134 106.579 -8.803 -17.181 9 HE2 LYS 134 HE2 LYS 134 109.359 -8.539 -18.335 10 HE3 LYS 134 HE3 LYS 134 108.213 -9.741 -18.932 11 HZ1 LYS 134 HZ1 LYS 134 106.898 -7.277 -18.707 12 HZ2 LYS 134 HZ2 LYS 134 108.342 -7.023 -19.565 13 HZ3 LYS 134 HZ3 LYS 134 107.215 -8.175 -20.109 No H/Q in entry = 13 In of MODEL 12 1 H LYS 135 H LYS 135 109.819 -7.352 -14.234 2 HA LYS 135 HA LYS 135 112.090 -7.192 -14.129 3 HB2 LYS 135 HB2 LYS 135 111.819 -9.651 -13.131 4 HB3 LYS 135 HB3 LYS 135 112.584 -10.081 -14.646 5 HG2 LYS 135 HG2 LYS 135 113.658 -8.030 -12.694 6 HG3 LYS 135 HG3 LYS 135 114.156 -9.713 -12.757 7 HD2 LYS 135 HD2 LYS 135 114.459 -7.708 -15.006 8 HD3 LYS 135 HD3 LYS 135 115.752 -8.276 -13.968 9 HE2 LYS 135 HE2 LYS 135 114.792 -10.638 -14.853 10 HE3 LYS 135 HE3 LYS 135 114.419 -9.642 -16.246 11 HZ1 LYS 135 HZ1 LYS 135 117.073 -9.756 -14.928 12 HZ2 LYS 135 HZ2 LYS 135 116.652 -10.671 -16.296 13 HZ3 LYS 135 HZ3 LYS 135 116.683 -8.983 -16.385 No H/Q in entry = 13 In of MODEL 12 1 H SER 136 H SER 136 113.112 -6.346 -15.650 2 HA SER 136 HA SER 136 112.918 -7.397 -18.424 3 HB2 SER 136 HB2 SER 136 111.684 -5.408 -18.419 4 HB3 SER 136 HB3 SER 136 112.759 -4.663 -17.231 5 HG SER 136 HG SER 136 113.671 -5.434 -19.794 No H/Q in entry = 5 In of MODEL 12 1 H SER 137 H SER 137 114.860 -5.518 -16.113 2 HA SER 137 HA SER 137 117.108 -5.075 -15.972 3 HB2 SER 137 HB2 SER 137 117.250 -7.499 -15.655 4 HB3 SER 137 HB3 SER 137 117.295 -7.731 -17.404 5 HG SER 137 HG SER 137 119.211 -6.591 -15.684 No H/Q in entry = 5 In of MODEL 13 1 H1 PHE 1 H1 PHE 1 94.026 28.694 6.400 2 H2 PHE 1 H2 PHE 1 92.467 28.911 5.761 3 H3 PHE 1 H3 PHE 1 92.776 27.634 6.838 4 HA PHE 1 HA PHE 1 92.720 26.616 4.757 5 HB2 PHE 1 HB2 PHE 1 92.818 28.764 3.482 6 HB3 PHE 1 HB3 PHE 1 94.550 28.838 3.802 7 HD1 PHE 1 HD1 PHE 1 96.034 27.861 2.271 8 HD2 PHE 1 HD2 PHE 1 91.958 26.498 2.426 9 HE1 PHE 1 HE1 PHE 1 96.455 26.385 0.325 10 HE2 PHE 1 HE2 PHE 1 92.384 25.021 0.478 11 HZ PHE 1 HZ PHE 1 94.631 24.965 -0.572 No H/Q in entry = 11 In of MODEL 13 1 H ASN 2 H ASN 2 95.733 28.296 5.665 2 HA ASN 2 HA ASN 2 97.442 26.094 5.117 3 HB2 ASN 2 HB2 ASN 2 97.967 28.329 7.074 4 HB3 ASN 2 HB3 ASN 2 99.153 27.336 6.243 5 HD21 ASN 2 HD21 ASN 2 99.226 30.168 5.979 6 HD22 ASN 2 HD22 ASN 2 98.799 30.576 4.388 No H/Q in entry = 6 In of MODEL 13 1 H LYS 3 H LYS 3 95.485 26.994 7.870 2 HA LYS 3 HA LYS 3 96.717 25.768 9.979 3 HB2 LYS 3 HB2 LYS 3 94.582 25.532 11.014 4 HB3 LYS 3 HB3 LYS 3 94.462 26.954 9.980 5 HG2 LYS 3 HG2 LYS 3 93.386 25.569 8.218 6 HG3 LYS 3 HG3 LYS 3 93.483 24.168 9.277 7 HD2 LYS 3 HD2 LYS 3 92.072 25.286 10.927 8 HD3 LYS 3 HD3 LYS 3 91.922 26.685 9.854 9 HE2 LYS 3 HE2 LYS 3 90.890 25.317 8.149 10 HE3 LYS 3 HE3 LYS 3 91.205 23.857 9.086 11 HZ1 LYS 3 HZ1 LYS 3 89.670 25.999 10.360 12 HZ2 LYS 3 HZ2 LYS 3 88.890 25.073 9.168 13 HZ3 LYS 3 HZ3 LYS 3 89.543 24.318 10.542 No H/Q in entry = 13 In of MODEL 13 1 H LYS 4 H LYS 4 94.805 24.181 7.432 2 HA LYS 4 HA LYS 4 94.867 21.625 8.560 3 HB2 LYS 4 HB2 LYS 4 93.608 22.656 6.472 4 HB3 LYS 4 HB3 LYS 4 94.934 21.909 5.584 5 HG2 LYS 4 HG2 LYS 4 93.137 20.492 7.578 6 HG3 LYS 4 HG3 LYS 4 92.949 20.427 5.830 7 HD2 LYS 4 HD2 LYS 4 95.379 19.532 5.786 8 HD3 LYS 4 HD3 LYS 4 95.174 19.307 7.523 9 HE2 LYS 4 HE2 LYS 4 93.315 17.816 7.228 10 HE3 LYS 4 HE3 LYS 4 93.211 18.177 5.507 11 HZ1 LYS 4 HZ1 LYS 4 95.572 17.273 5.416 12 HZ2 LYS 4 HZ2 LYS 4 95.254 16.606 6.940 13 HZ3 LYS 4 HZ3 LYS 4 94.309 16.159 5.601 No H/Q in entry = 13 In of MODEL 13 1 H ALA 5 H ALA 5 97.084 23.294 6.391 2 HA ALA 5 HA ALA 5 98.872 21.246 5.791 3 HB1 ALA 5 HB1 ALA 5 100.419 22.978 5.226 4 HB2 ALA 5 HB2 ALA 5 99.686 24.089 6.364 5 HB3 ALA 5 HB3 ALA 5 98.828 23.656 4.893 No H/Q in entry = 5 In of MODEL 13 1 H ASP 6 H ASP 6 98.550 23.258 8.631 2 HA ASP 6 HA ASP 6 100.968 22.432 9.878 3 HB2 ASP 6 HB2 ASP 6 98.480 23.766 10.852 4 HB3 ASP 6 HB3 ASP 6 99.677 23.199 11.992 No H/Q in entry = 4 In of MODEL 13 1 H GLU 7 H GLU 7 97.626 21.178 9.925 2 HA GLU 7 HA GLU 7 98.032 19.339 12.047 3 HB2 GLU 7 HB2 GLU 7 96.173 18.952 9.743 4 HB3 GLU 7 HB3 GLU 7 96.012 18.299 11.366 5 HG2 GLU 7 HG2 GLU 7 95.911 20.677 12.187 6 HG3 GLU 7 HG3 GLU 7 95.776 21.161 10.506 No H/Q in entry = 6 In of MODEL 13 1 H ASN 8 H ASN 8 98.028 18.921 8.585 2 HA ASN 8 HA ASN 8 98.760 16.225 8.481 3 HB2 ASN 8 HB2 ASN 8 99.584 18.395 6.565 4 HB3 ASN 8 HB3 ASN 8 99.424 16.690 6.215 5 HD21 ASN 8 HD21 ASN 8 97.966 18.113 4.559 6 HD22 ASN 8 HD22 ASN 8 96.329 18.122 4.983 No H/Q in entry = 6 In of MODEL 13 1 H LYS 9 H LYS 9 100.524 19.161 8.807 2 HA LYS 9 HA LYS 9 103.166 18.169 8.499 3 HB2 LYS 9 HB2 LYS 9 103.029 20.467 8.273 4 HB3 LYS 9 HB3 LYS 9 101.824 20.590 9.515 5 HG2 LYS 9 HG2 LYS 9 103.456 20.412 11.255 6 HG3 LYS 9 HG3 LYS 9 104.706 20.015 10.079 7 HD2 LYS 9 HD2 LYS 9 104.372 22.258 9.036 8 HD3 LYS 9 HD3 LYS 9 103.217 22.636 10.304 9 HE2 LYS 9 HE2 LYS 9 106.000 21.730 11.014 10 HE3 LYS 9 HE3 LYS 9 105.672 23.421 10.633 11 HZ1 LYS 9 HZ1 LYS 9 104.207 21.841 12.677 12 HZ2 LYS 9 HZ2 LYS 9 105.490 22.895 13.022 13 HZ3 LYS 9 HZ3 LYS 9 104.045 23.502 12.369 No H/Q in entry = 13 In of MODEL 13 1 H VAL 10 H VAL 10 101.290 18.913 11.476 2 HA VAL 10 HA VAL 10 103.372 17.945 13.164 3 HB VAL 10 HB VAL 10 100.475 18.514 13.717 No H/Q in entry = 3 In of MODEL 13 1 H LYS 11 H LYS 11 100.285 16.512 12.164 2 HA LYS 11 HA LYS 11 100.636 14.118 13.591 3 HB2 LYS 11 HB2 LYS 11 99.043 14.816 11.164 4 HB3 LYS 11 HB3 LYS 11 99.064 13.200 11.826 5 HG2 LYS 11 HG2 LYS 11 97.187 14.133 12.864 6 HG3 LYS 11 HG3 LYS 11 98.434 14.344 14.085 7 HD2 LYS 11 HD2 LYS 11 98.812 16.664 13.156 8 HD3 LYS 11 HD3 LYS 11 97.384 16.420 12.150 9 HE2 LYS 11 HE2 LYS 11 97.582 16.592 15.146 10 HE3 LYS 11 HE3 LYS 11 96.517 17.484 14.057 11 HZ1 LYS 11 HZ1 LYS 11 96.366 14.547 14.440 12 HZ2 LYS 11 HZ2 LYS 11 95.429 15.651 15.330 13 HZ3 LYS 11 HZ3 LYS 11 95.243 15.545 13.647 No H/Q in entry = 13 In of MODEL 13 1 H GLY 12 H GLY 12 101.564 15.216 10.416 2 HA2 GLY 12 HA2 GLY 12 102.964 14.313 8.813 3 HA3 GLY 12 HA3 GLY 12 102.633 12.737 9.498 No H/Q in entry = 3 In of MODEL 13 1 H GLU 13 H GLU 13 104.171 15.600 10.996 2 HA GLU 13 HA GLU 13 106.825 14.630 10.836 3 HB2 GLU 13 HB2 GLU 13 105.469 16.587 12.700 4 HB3 GLU 13 HB3 GLU 13 107.171 16.170 12.879 5 HG2 GLU 13 HG2 GLU 13 107.677 16.962 10.672 6 HG3 GLU 13 HG3 GLU 13 105.975 17.190 10.305 No H/Q in entry = 6 In of MODEL 13 1 H ALA 14 H ALA 14 104.181 14.055 12.999 2 HA ALA 14 HA ALA 14 105.711 12.694 14.989 3 HB1 ALA 14 HB1 ALA 14 103.612 13.886 15.516 4 HB2 ALA 14 HB2 ALA 14 102.729 12.725 14.527 5 HB3 ALA 14 HB3 ALA 14 103.550 12.190 15.990 No H/Q in entry = 5 In of MODEL 13 1 H PHE 15 H PHE 15 103.828 11.927 12.199 2 HA PHE 15 HA PHE 15 103.516 9.148 12.532 3 HB2 PHE 15 HB2 PHE 15 102.329 10.719 10.978 4 HB3 PHE 15 HB3 PHE 15 103.777 10.762 9.999 5 HD1 PHE 15 HD1 PHE 15 104.382 8.942 8.599 6 HD2 PHE 15 HD2 PHE 15 100.996 8.671 11.212 7 HE1 PHE 15 HE1 PHE 15 103.527 7.008 7.309 8 HE2 PHE 15 HE2 PHE 15 100.168 6.705 9.950 9 HZ PHE 15 HZ PHE 15 101.436 5.891 7.988 No H/Q in entry = 9 In of MODEL 13 1 H LEU 16 H LEU 16 105.950 11.019 10.704 2 HA LEU 16 HA LEU 16 107.456 8.637 10.077 3 HB2 LEU 16 HB2 LEU 16 108.189 11.565 9.879 4 HB3 LEU 16 HB3 LEU 16 109.277 10.267 9.431 5 HG LEU 16 HG LEU 16 107.227 9.465 7.947 6 HD11 LEU 16 HD11 LEU 16 106.648 12.382 8.475 7 HD12 LEU 16 HD12 LEU 16 106.179 11.626 6.956 8 HD13 LEU 16 HD13 LEU 16 105.535 11.018 8.484 9 HD21 LEU 16 HD21 LEU 16 109.205 11.659 7.369 10 HD22 LEU 16 HD22 LEU 16 109.288 9.952 6.962 11 HD23 LEU 16 HD23 LEU 16 108.154 10.996 6.124 No H/Q in entry = 11 In of MODEL 13 1 H THR 17 H THR 17 107.655 11.199 12.466 2 HA THR 17 HA THR 17 110.147 10.455 13.540 3 HB THR 17 HB THR 17 107.826 11.772 14.947 4 HG1 THR 17 HG1 THR 17 110.052 12.697 13.483 5 HG21 THR 17 HG21 THR 17 110.733 11.472 15.663 6 HG22 THR 17 HG22 THR 17 109.624 12.591 16.457 7 HG23 THR 17 HG23 THR 17 109.345 10.857 16.561 No H/Q in entry = 7 In of MODEL 13 1 H GLU 18 H GLU 18 106.847 9.469 14.293 2 HA GLU 18 HA GLU 18 107.644 7.769 16.410 3 HB2 GLU 18 HB2 GLU 18 105.442 8.841 16.358 4 HB3 GLU 18 HB3 GLU 18 105.038 7.894 14.931 5 HG2 GLU 18 HG2 GLU 18 105.242 5.825 16.174 6 HG3 GLU 18 HG3 GLU 18 105.823 6.690 17.593 No H/Q in entry = 6 In of MODEL 13 1 H ASN 19 H ASN 19 106.567 7.189 13.057 2 HA ASN 19 HA ASN 19 106.616 4.385 13.222 3 HB2 ASN 19 HB2 ASN 19 105.589 5.714 11.394 4 HB3 ASN 19 HB3 ASN 19 107.202 6.007 10.753 5 HD21 ASN 19 HD21 ASN 19 107.434 4.634 9.001 6 HD22 ASN 19 HD22 ASN 19 107.028 2.987 9.002 No H/Q in entry = 6 In of MODEL 13 1 H LYS 20 H LYS 20 109.247 6.550 12.211 2 HA LYS 20 HA LYS 20 111.027 4.497 11.454 3 HB2 LYS 20 HB2 LYS 20 112.827 6.099 11.794 4 HB3 LYS 20 HB3 LYS 20 111.471 6.889 11.000 5 HG2 LYS 20 HG2 LYS 20 110.708 7.590 13.351 6 HG3 LYS 20 HG3 LYS 20 112.285 7.039 13.910 7 HD2 LYS 20 HD2 LYS 20 111.927 9.086 11.702 8 HD3 LYS 20 HD3 LYS 20 112.196 9.508 13.394 9 HE2 LYS 20 HE2 LYS 20 114.288 8.009 13.252 10 HE3 LYS 20 HE3 LYS 20 114.067 8.106 11.508 11 HZ1 LYS 20 HZ1 LYS 20 113.867 10.635 12.016 12 HZ2 LYS 20 HZ2 LYS 20 114.750 10.225 13.408 13 HZ3 LYS 20 HZ3 LYS 20 115.395 9.908 11.872 No H/Q in entry = 13 In of MODEL 13 1 H ASN 21 H ASN 21 110.204 5.876 14.552 2 HA ASN 21 HA ASN 21 112.266 4.545 16.037 3 HB2 ASN 21 HB2 ASN 21 109.812 6.109 16.733 4 HB3 ASN 21 HB3 ASN 21 110.655 5.213 17.987 5 HD21 ASN 21 HD21 ASN 21 110.797 8.039 15.933 6 HD22 ASN 21 HD22 ASN 21 112.250 8.660 16.552 No H/Q in entry = 6 In of MODEL 13 1 H LYS 22 H LYS 22 108.961 3.827 15.178 2 HA LYS 22 HA LYS 22 108.465 1.809 16.999 3 HB2 LYS 22 HB2 LYS 22 107.436 2.355 14.257 4 HB3 LYS 22 HB3 LYS 22 106.839 1.003 15.198 5 HG2 LYS 22 HG2 LYS 22 106.727 3.211 16.989 6 HG3 LYS 22 HG3 LYS 22 106.207 3.863 15.447 7 HD2 LYS 22 HD2 LYS 22 105.048 1.316 16.580 8 HD3 LYS 22 HD3 LYS 22 104.375 2.907 16.925 9 HE2 LYS 22 HE2 LYS 22 103.821 3.293 14.662 10 HE3 LYS 22 HE3 LYS 22 104.884 2.003 14.095 11 HZ1 LYS 22 HZ1 LYS 22 103.365 0.506 15.504 12 HZ2 LYS 22 HZ2 LYS 22 102.263 1.798 15.434 13 HZ3 LYS 22 HZ3 LYS 22 102.784 1.052 14.002 No H/Q in entry = 13 In of MODEL 13 1 HA PRO 23 HA PRO 23 111.402 -1.387 15.697 2 HB2 PRO 23 HB2 PRO 23 109.358 -3.220 16.884 3 HB3 PRO 23 HB3 PRO 23 111.109 -3.153 17.162 4 HG2 PRO 23 HG2 PRO 23 109.376 -2.203 18.957 5 HG3 PRO 23 HG3 PRO 23 110.941 -1.421 18.660 6 HD2 PRO 23 HD2 PRO 23 108.207 -0.519 17.840 7 HD3 PRO 23 HD3 PRO 23 109.655 0.434 18.242 No H/Q in entry = 7 In of MODEL 13 1 H GLY 24 H GLY 24 111.553 -2.927 14.096 2 HA2 GLY 24 HA2 GLY 24 109.199 -3.833 12.641 3 HA3 GLY 24 HA3 GLY 24 110.859 -4.364 12.376 No H/Q in entry = 3 In of MODEL 13 1 H VAL 25 H VAL 25 110.290 -1.004 12.716 2 HA VAL 25 HA VAL 25 110.075 -0.547 9.822 3 HB VAL 25 HB VAL 25 110.143 1.419 12.119 No H/Q in entry = 3 In of MODEL 13 1 H VAL 26 H VAL 26 111.748 0.106 8.623 2 HA VAL 26 HA VAL 26 114.302 0.845 9.966 3 HB VAL 26 HB VAL 26 113.917 -0.576 7.317 No H/Q in entry = 3 In of MODEL 13 1 H VAL 27 H VAL 27 114.795 2.921 9.658 2 HA VAL 27 HA VAL 27 113.516 4.359 7.457 3 HB VAL 27 HB VAL 27 113.232 5.364 9.664 No H/Q in entry = 3 In of MODEL 13 1 H LEU 28 H LEU 28 114.502 5.598 6.004 2 HA LEU 28 HA LEU 28 117.369 4.987 5.607 3 HB2 LEU 28 HB2 LEU 28 115.280 5.675 3.538 4 HB3 LEU 28 HB3 LEU 28 116.934 5.247 3.200 5 HG LEU 28 HG LEU 28 114.996 3.401 4.595 6 HD11 LEU 28 HD11 LEU 28 114.426 4.013 2.192 7 HD12 LEU 28 HD12 LEU 28 115.967 3.316 1.729 8 HD13 LEU 28 HD13 LEU 28 114.729 2.305 2.462 9 HD21 LEU 28 HD21 LEU 28 117.786 3.096 3.430 10 HD22 LEU 28 HD22 LEU 28 117.299 2.833 5.105 11 HD23 LEU 28 HD23 LEU 28 116.757 1.728 3.849 No H/Q in entry = 11 In of MODEL 13 1 HA PRO 29 HA PRO 29 118.463 9.218 5.655 2 HB2 PRO 29 HB2 PRO 29 119.654 9.015 2.940 3 HB3 PRO 29 HB3 PRO 29 120.414 9.525 4.457 4 HG2 PRO 29 HG2 PRO 29 120.943 7.154 3.421 5 HG3 PRO 29 HG3 PRO 29 120.739 7.340 5.175 6 HD2 PRO 29 HD2 PRO 29 118.809 6.277 3.155 7 HD3 PRO 29 HD3 PRO 29 119.178 5.659 4.773 No H/Q in entry = 7 In of MODEL 13 1 H SER 30 H SER 30 116.951 8.009 2.753 2 HA SER 30 HA SER 30 116.164 10.500 1.646 3 HB2 SER 30 HB2 SER 30 114.669 7.908 1.262 4 HB3 SER 30 HB3 SER 30 114.885 9.234 0.117 5 HG SER 30 HG SER 30 116.272 7.157 0.072 No H/Q in entry = 5 In of MODEL 13 1 H GLY 31 H GLY 31 115.135 8.731 4.331 2 HA2 GLY 31 HA2 GLY 31 112.856 10.534 4.735 3 HA3 GLY 31 HA3 GLY 31 113.637 9.553 5.967 No H/Q in entry = 3 In of MODEL 13 1 H LEU 32 H LEU 32 113.304 7.704 3.234 2 HA LEU 32 HA LEU 32 110.558 6.948 3.562 3 HB2 LEU 32 HB2 LEU 32 111.715 6.816 1.370 4 HB3 LEU 32 HB3 LEU 32 112.788 5.602 2.011 5 HG LEU 32 HG LEU 32 110.789 4.842 0.554 6 HD11 LEU 32 HD11 LEU 32 112.220 3.362 1.972 7 HD12 LEU 32 HD12 LEU 32 110.990 3.480 3.214 8 HD13 LEU 32 HD13 LEU 32 110.595 2.773 1.664 9 HD21 LEU 32 HD21 LEU 32 109.165 6.248 1.799 10 HD22 LEU 32 HD22 LEU 32 108.660 4.585 1.609 11 HD23 LEU 32 HD23 LEU 32 109.274 5.141 3.150 No H/Q in entry = 11 In of MODEL 13 1 H GLN 33 H GLN 33 109.762 5.315 4.794 2 HA GLN 33 HA GLN 33 111.690 3.592 6.247 3 HB2 GLN 33 HB2 GLN 33 109.082 4.763 7.220 4 HB3 GLN 33 HB3 GLN 33 110.072 3.632 8.102 5 HG2 GLN 33 HG2 GLN 33 111.005 5.510 8.989 6 HG3 GLN 33 HG3 GLN 33 111.895 5.531 7.502 7 HE21 GLN 33 HE21 GLN 33 111.551 7.917 8.794 8 HE22 GLN 33 HE22 GLN 33 110.486 8.870 7.888 No H/Q in entry = 8 In of MODEL 13 1 H TYR 34 H TYR 34 111.281 1.445 6.290 2 HA TYR 34 HA TYR 34 108.658 0.500 5.352 3 HB2 TYR 34 HB2 TYR 34 109.696 -1.239 4.001 4 HB3 TYR 34 HB3 TYR 34 110.170 0.354 3.425 5 HD1 TYR 34 HD1 TYR 34 111.225 -2.514 5.485 6 HD2 TYR 34 HD2 TYR 34 112.473 1.043 3.452 7 HE1 TYR 34 HE1 TYR 34 113.599 -3.146 5.852 8 HE2 TYR 34 HE2 TYR 34 114.846 0.414 3.815 9 HH TYR 34 HH TYR 34 115.736 -2.707 5.188 No H/Q in entry = 9 In of MODEL 13 1 H LYS 35 H LYS 35 107.877 -1.270 6.204 2 HA LYS 35 HA LYS 35 109.465 -2.589 8.288 3 HB2 LYS 35 HB2 LYS 35 107.864 -1.062 9.292 4 HB3 LYS 35 HB3 LYS 35 106.540 -1.821 8.428 5 HG2 LYS 35 HG2 LYS 35 108.259 -3.638 9.982 6 HG3 LYS 35 HG3 LYS 35 107.368 -2.495 10.962 7 HD2 LYS 35 HD2 LYS 35 105.285 -3.224 9.801 8 HD3 LYS 35 HD3 LYS 35 106.233 -4.452 8.960 9 HE2 LYS 35 HE2 LYS 35 105.184 -5.404 10.972 10 HE3 LYS 35 HE3 LYS 35 106.935 -5.384 11.120 11 HZ1 LYS 35 HZ1 LYS 35 105.946 -2.944 12.055 12 HZ2 LYS 35 HZ2 LYS 35 105.051 -4.183 12.798 13 HZ3 LYS 35 HZ3 LYS 35 106.740 -4.163 12.932 No H/Q in entry = 13 In of MODEL 13 1 H VAL 36 H VAL 36 109.504 -4.676 8.209 2 HA VAL 36 HA VAL 36 108.071 -5.974 6.031 3 HB VAL 36 HB VAL 36 110.376 -6.485 6.128 No H/Q in entry = 3 In of MODEL 13 1 H ILE 37 H ILE 37 106.066 -6.469 6.410 2 HA ILE 37 HA ILE 37 105.045 -7.274 8.960 3 HB ILE 37 HB ILE 37 103.764 -7.879 6.293 4 HD11 ILE 37 HD11 ILE 37 104.130 -5.364 8.897 5 HD12 ILE 37 HD12 ILE 37 104.040 -3.954 7.879 6 HD13 ILE 37 HD13 ILE 37 102.572 -4.792 8.372 No H/Q in entry = 6 In of MODEL 13 1 H ASN 38 H ASN 38 106.028 -8.875 6.016 2 HA ASN 38 HA ASN 38 106.363 -11.411 7.458 3 HB2 ASN 38 HB2 ASN 38 104.880 -11.069 4.861 4 HB3 ASN 38 HB3 ASN 38 105.314 -12.603 5.563 5 HD21 ASN 38 HD21 ASN 38 103.273 -9.721 6.107 6 HD22 ASN 38 HD22 ASN 38 102.233 -10.477 7.211 No H/Q in entry = 6 In of MODEL 13 1 H SER 39 H SER 39 108.332 -12.231 7.002 2 HA SER 39 HA SER 39 109.923 -11.038 4.870 3 HB2 SER 39 HB2 SER 39 111.774 -12.103 5.854 4 HB3 SER 39 HB3 SER 39 110.788 -11.559 7.207 5 HG SER 39 HG SER 39 111.164 -13.640 7.681 No H/Q in entry = 5 In of MODEL 13 1 H GLY 40 H GLY 40 110.307 -11.946 2.952 2 HA2 GLY 40 HA2 GLY 40 109.259 -13.472 1.315 3 HA3 GLY 40 HA3 GLY 40 109.529 -14.755 2.487 No H/Q in entry = 3 In of MODEL 13 1 H ASN 41 H ASN 41 111.718 -12.108 1.766 2 HA ASN 41 HA ASN 41 113.861 -12.043 0.958 3 HB2 ASN 41 HB2 ASN 41 113.934 -14.942 1.772 4 HB3 ASN 41 HB3 ASN 41 115.306 -13.852 1.588 5 HD21 ASN 41 HD21 ASN 41 112.938 -11.907 2.809 6 HD22 ASN 41 HD22 ASN 41 113.239 -12.089 4.473 No H/Q in entry = 6 In of MODEL 13 1 H GLY 42 H GLY 42 111.709 -12.723 -0.894 2 HA2 GLY 42 HA2 GLY 42 111.337 -13.849 -2.915 3 HA3 GLY 42 HA3 GLY 42 112.898 -14.635 -2.752 No H/Q in entry = 3 In of MODEL 13 1 H VAL 43 H VAL 43 111.996 -13.568 -5.070 2 HA VAL 43 HA VAL 43 114.120 -11.834 -5.827 3 HB VAL 43 HB VAL 43 113.116 -11.896 -8.043 No H/Q in entry = 3 In of MODEL 13 1 H LYS 44 H LYS 44 113.299 -9.938 -7.368 2 HA LYS 44 HA LYS 44 111.095 -8.398 -6.723 3 HB2 LYS 44 HB2 LYS 44 111.846 -6.713 -5.204 4 HB3 LYS 44 HB3 LYS 44 112.127 -8.249 -4.439 5 HG2 LYS 44 HG2 LYS 44 114.385 -7.059 -6.016 6 HG3 LYS 44 HG3 LYS 44 113.984 -6.324 -4.482 7 HD2 LYS 44 HD2 LYS 44 114.239 -9.311 -4.531 8 HD3 LYS 44 HD3 LYS 44 115.723 -8.374 -4.644 9 HE2 LYS 44 HE2 LYS 44 115.403 -7.426 -2.511 10 HE3 LYS 44 HE3 LYS 44 113.677 -7.780 -2.504 11 HZ1 LYS 44 HZ1 LYS 44 115.560 -10.006 -2.727 12 HZ2 LYS 44 HZ2 LYS 44 115.377 -9.261 -1.210 13 HZ3 LYS 44 HZ3 LYS 44 114.036 -9.943 -1.995 No H/Q in entry = 13 In of MODEL 13 1 HA PRO 45 HA PRO 45 112.809 -6.294 -10.174 2 HB2 PRO 45 HB2 PRO 45 111.078 -4.195 -10.348 3 HB3 PRO 45 HB3 PRO 45 110.621 -5.868 -10.667 4 HG2 PRO 45 HG2 PRO 45 109.947 -4.129 -8.391 5 HG3 PRO 45 HG3 PRO 45 109.169 -5.600 -8.971 6 HD2 PRO 45 HD2 PRO 45 110.992 -5.338 -6.756 7 HD3 PRO 45 HD3 PRO 45 110.108 -6.782 -7.319 No H/Q in entry = 7 In of MODEL 13 1 H GLY 46 H GLY 46 113.823 -4.552 -11.131 2 HA2 GLY 46 HA2 GLY 46 115.564 -2.976 -11.065 3 HA3 GLY 46 HA3 GLY 46 115.278 -2.758 -9.344 No H/Q in entry = 3 In of MODEL 13 1 H LYS 47 H LYS 47 115.579 -0.528 -10.395 2 HA LYS 47 HA LYS 47 113.258 0.931 -10.080 3 HB2 LYS 47 HB2 LYS 47 114.491 2.826 -10.665 4 HB3 LYS 47 HB3 LYS 47 115.679 1.724 -9.999 5 HG2 LYS 47 HG2 LYS 47 115.151 2.105 -12.976 6 HG3 LYS 47 HG3 LYS 47 116.464 2.858 -12.093 7 HD2 LYS 47 HD2 LYS 47 116.063 -0.129 -12.418 8 HD3 LYS 47 HD3 LYS 47 117.218 0.851 -13.300 9 HE2 LYS 47 HE2 LYS 47 117.246 0.046 -10.415 10 HE3 LYS 47 HE3 LYS 47 118.550 -0.010 -11.594 11 HZ1 LYS 47 HZ1 LYS 47 118.405 2.497 -11.593 12 HZ2 LYS 47 HZ2 LYS 47 117.449 2.358 -10.197 13 HZ3 LYS 47 HZ3 LYS 47 119.047 1.778 -10.193 No H/Q in entry = 13 In of MODEL 13 1 H SER 48 H SER 48 114.461 -0.680 -12.873 2 HA SER 48 HA SER 48 112.429 0.690 -14.577 3 HB2 SER 48 HB2 SER 48 115.089 -0.550 -15.076 4 HB3 SER 48 HB3 SER 48 113.928 -0.498 -16.405 5 HG SER 48 HG SER 48 115.285 1.380 -16.258 No H/Q in entry = 5 In of MODEL 13 1 H ASP 49 H ASP 49 112.851 -2.132 -12.888 2 HA ASP 49 HA ASP 49 111.633 -3.973 -14.804 3 HB2 ASP 49 HB2 ASP 49 112.339 -4.095 -11.929 4 HB3 ASP 49 HB3 ASP 49 111.584 -5.431 -12.753 No H/Q in entry = 4 In of MODEL 13 1 H THR 50 H THR 50 109.597 -5.144 -14.043 2 HA THR 50 HA THR 50 107.697 -3.192 -12.897 3 HB THR 50 HB THR 50 106.953 -5.441 -14.738 4 HG1 THR 50 HG1 THR 50 107.678 -4.273 -16.277 5 HG21 THR 50 HG21 THR 50 105.533 -2.985 -13.709 6 HG22 THR 50 HG22 THR 50 104.959 -3.962 -15.064 7 HG23 THR 50 HG23 THR 50 105.100 -4.693 -13.466 No H/Q in entry = 7 In of MODEL 13 1 H VAL 51 H VAL 51 106.107 -3.896 -11.488 2 HA VAL 51 HA VAL 51 106.720 -6.476 -10.161 3 HB VAL 51 HB VAL 51 107.614 -4.356 -9.068 No H/Q in entry = 3 In of MODEL 13 1 H THR 52 H THR 52 104.990 -7.284 -8.747 2 HA THR 52 HA THR 52 102.283 -6.321 -9.542 3 HB THR 52 HB THR 52 103.237 -9.183 -9.349 4 HG1 THR 52 HG1 THR 52 102.201 -8.884 -11.610 5 HG21 THR 52 HG21 THR 52 100.517 -7.949 -9.608 6 HG22 THR 52 HG22 THR 52 100.857 -9.557 -10.243 7 HG23 THR 52 HG23 THR 52 101.059 -9.245 -8.531 No H/Q in entry = 7 In of MODEL 13 1 H VAL 53 H VAL 53 101.231 -5.668 -7.716 2 HA VAL 53 HA VAL 53 101.663 -7.177 -5.197 3 HB VAL 53 HB VAL 53 102.233 -5.147 -4.015 No H/Q in entry = 3 In of MODEL 13 1 H GLU 54 H GLU 54 100.236 -6.499 -3.410 2 HA GLU 54 HA GLU 54 97.719 -5.137 -4.301 3 HB2 GLU 54 HB2 GLU 54 97.617 -7.009 -1.931 4 HB3 GLU 54 HB3 GLU 54 96.344 -6.475 -3.009 5 HG2 GLU 54 HG2 GLU 54 96.682 -8.124 -4.513 6 HG3 GLU 54 HG3 GLU 54 98.409 -8.149 -4.309 No H/Q in entry = 6 In of MODEL 13 1 H TYR 55 H TYR 55 96.930 -3.507 -2.721 2 HA TYR 55 HA TYR 55 98.460 -3.215 -0.267 3 HB2 TYR 55 HB2 TYR 55 99.317 -0.968 -1.018 4 HB3 TYR 55 HB3 TYR 55 99.988 -2.340 -1.911 5 HD1 TYR 55 HD1 TYR 55 97.577 0.469 -2.074 6 HD2 TYR 55 HD2 TYR 55 99.292 -2.846 -4.182 7 HE1 TYR 55 HE1 TYR 55 96.516 1.271 -4.161 8 HE2 TYR 55 HE2 TYR 55 98.252 -2.039 -6.277 9 HH TYR 55 HH TYR 55 95.833 0.362 -6.340 No H/Q in entry = 9 In of MODEL 13 1 H THR 56 H THR 56 97.940 -1.298 0.990 2 HA THR 56 HA THR 56 95.413 0.002 0.316 3 HB THR 56 HB THR 56 96.042 -1.345 2.873 4 HG1 THR 56 HG1 THR 56 93.847 -1.013 1.158 5 HG21 THR 56 HG21 THR 56 94.231 1.070 2.604 6 HG22 THR 56 HG22 THR 56 94.322 0.028 4.020 7 HG23 THR 56 HG23 THR 56 95.708 1.007 3.558 No H/Q in entry = 7 In of MODEL 13 1 H GLY 57 H GLY 57 95.462 2.178 0.369 2 HA2 GLY 57 HA2 GLY 57 97.085 4.022 0.122 3 HA3 GLY 57 HA3 GLY 57 97.915 3.401 1.540 No H/Q in entry = 3 In of MODEL 13 1 H ARG 58 H ARG 58 97.691 4.938 3.108 2 HA ARG 58 HA ARG 58 95.148 6.327 3.308 3 HB2 ARG 58 HB2 ARG 58 94.575 5.630 5.440 4 HB3 ARG 58 HB3 ARG 58 95.134 4.149 4.677 5 HG2 ARG 58 HG2 ARG 58 97.277 4.269 5.779 6 HG3 ARG 58 HG3 ARG 58 96.947 5.876 6.409 7 HD2 ARG 58 HD2 ARG 58 96.489 4.535 8.244 8 HD3 ARG 58 HD3 ARG 58 94.897 4.763 7.542 9 HE ARG 58 HE ARG 58 96.149 2.434 6.466 10 HH11 ARG 58 HH11 ARG 58 94.510 3.736 9.214 11 HH12 ARG 58 HH12 ARG 58 93.952 2.201 9.792 12 HH21 ARG 58 HH21 ARG 58 95.434 0.411 7.211 13 HH22 ARG 58 HH22 ARG 58 94.477 0.310 8.651 No H/Q in entry = 13 In of MODEL 13 1 H LEU 59 H LEU 59 95.127 7.945 5.015 2 HA LEU 59 HA LEU 59 97.526 9.561 4.902 3 HB2 LEU 59 HB2 LEU 59 94.698 9.897 5.612 4 HB3 LEU 59 HB3 LEU 59 95.766 10.887 6.578 5 HG LEU 59 HG LEU 59 96.790 11.615 4.300 6 HD11 LEU 59 HD11 LEU 59 94.118 10.519 3.420 7 HD12 LEU 59 HD12 LEU 59 95.134 11.556 2.462 8 HD13 LEU 59 HD13 LEU 59 95.672 9.945 2.899 9 HD21 LEU 59 HD21 LEU 59 95.247 12.966 5.857 10 HD22 LEU 59 HD22 LEU 59 95.310 13.449 4.173 11 HD23 LEU 59 HD23 LEU 59 93.949 12.529 4.758 No H/Q in entry = 11 In of MODEL 13 1 H ILE 60 H ILE 60 98.308 10.611 6.857 2 HA ILE 60 HA ILE 60 99.216 8.782 8.799 3 HB ILE 60 HB ILE 60 100.210 10.629 9.873 4 HD11 ILE 60 HD11 ILE 60 98.873 12.913 7.277 5 HD12 ILE 60 HD12 ILE 60 97.423 12.029 7.751 6 HD13 ILE 60 HD13 ILE 60 97.672 13.660 8.333 No H/Q in entry = 6 In of MODEL 13 1 H ASP 61 H ASP 61 96.454 10.728 8.522 2 HA ASP 61 HA ASP 61 95.666 10.505 11.323 3 HB2 ASP 61 HB2 ASP 61 95.485 12.605 9.838 4 HB3 ASP 61 HB3 ASP 61 94.074 11.817 9.131 No H/Q in entry = 4 In of MODEL 13 1 H GLY 62 H GLY 62 95.475 8.443 8.836 2 HA2 GLY 62 HA2 GLY 62 93.092 7.157 9.948 3 HA3 GLY 62 HA3 GLY 62 94.269 6.432 8.884 No H/Q in entry = 3 In of MODEL 13 1 H THR 63 H THR 63 93.412 9.408 7.565 2 HA THR 63 HA THR 63 90.903 8.674 6.379 3 HB THR 63 HB THR 63 92.810 10.682 5.213 4 HG1 THR 63 HG1 THR 63 92.128 12.126 6.684 5 HG21 THR 63 HG21 THR 63 90.650 9.924 4.075 6 HG22 THR 63 HG22 THR 63 89.826 10.765 5.375 7 HG23 THR 63 HG23 THR 63 90.882 11.661 4.290 No H/Q in entry = 7 In of MODEL 13 1 H VAL 64 H VAL 64 90.855 6.846 5.203 2 HA VAL 64 HA VAL 64 93.024 6.074 3.488 3 HB VAL 64 HB VAL 64 90.242 4.953 3.712 No H/Q in entry = 3 In of MODEL 13 1 H PHE 65 H PHE 65 93.413 6.584 1.492 2 HA PHE 65 HA PHE 65 91.226 7.913 -0.011 3 HB2 PHE 65 HB2 PHE 65 92.817 9.294 -1.118 4 HB3 PHE 65 HB3 PHE 65 93.021 9.446 0.619 5 HD1 PHE 65 HD1 PHE 65 94.765 7.833 1.691 6 HD2 PHE 65 HD2 PHE 65 94.752 8.998 -2.430 7 HE1 PHE 65 HE1 PHE 65 97.191 7.328 1.547 8 HE2 PHE 65 HE2 PHE 65 97.185 8.501 -2.580 9 HZ PHE 65 HZ PHE 65 98.394 7.669 -0.585 No H/Q in entry = 9 In of MODEL 13 1 H ASP 66 H ASP 66 93.188 5.211 0.127 2 HA ASP 66 HA ASP 66 92.098 4.255 -2.336 3 HB2 ASP 66 HB2 ASP 66 94.097 5.664 -3.056 4 HB3 ASP 66 HB3 ASP 66 95.103 4.415 -2.339 No H/Q in entry = 4 In of MODEL 13 1 H SER 67 H SER 67 92.441 2.035 -2.716 2 HA SER 67 HA SER 67 94.047 0.512 -0.928 3 HB2 SER 67 HB2 SER 67 92.315 -0.704 0.215 4 HB3 SER 67 HB3 SER 67 92.078 1.021 0.491 5 HG SER 67 HG SER 67 90.186 0.751 -0.364 No H/Q in entry = 5 In of MODEL 13 1 H THR 68 H THR 68 94.060 -1.765 -1.329 2 HA THR 68 HA THR 68 92.747 -2.719 -3.761 3 HB THR 68 HB THR 68 95.754 -2.536 -3.503 4 HG1 THR 68 HG1 THR 68 94.857 -0.633 -4.253 5 HG21 THR 68 HG21 THR 68 93.973 -3.975 -5.461 6 HG22 THR 68 HG22 THR 68 95.635 -3.541 -5.845 7 HG23 THR 68 HG23 THR 68 95.301 -4.628 -4.509 No H/Q in entry = 7 In of MODEL 13 1 H GLU 69 H GLU 69 95.069 -3.283 -1.163 2 HA GLU 69 HA GLU 69 95.138 -6.088 -1.312 3 HB2 GLU 69 HB2 GLU 69 95.917 -6.012 1.015 4 HB3 GLU 69 HB3 GLU 69 96.780 -4.926 -0.063 5 HG2 GLU 69 HG2 GLU 69 96.422 -3.578 1.782 6 HG3 GLU 69 HG3 GLU 69 95.122 -3.153 0.690 No H/Q in entry = 6 In of MODEL 13 1 H LYS 70 H LYS 70 92.810 -3.875 -0.055 2 HA LYS 70 HA LYS 70 91.367 -5.516 1.663 3 HB2 LYS 70 HB2 LYS 70 90.339 -3.446 -0.277 4 HB3 LYS 70 HB3 LYS 70 89.422 -4.099 1.085 5 HG2 LYS 70 HG2 LYS 70 92.106 -2.766 1.393 6 HG3 LYS 70 HG3 LYS 70 90.601 -1.858 1.447 7 HD2 LYS 70 HD2 LYS 70 90.449 -4.190 3.224 8 HD3 LYS 70 HD3 LYS 70 91.850 -3.207 3.624 9 HE2 LYS 70 HE2 LYS 70 88.949 -2.384 3.555 10 HE3 LYS 70 HE3 LYS 70 90.046 -2.366 4.933 11 HZ1 LYS 70 HZ1 LYS 70 91.381 -0.776 3.347 12 HZ2 LYS 70 HZ2 LYS 70 89.835 -0.500 2.693 13 HZ3 LYS 70 HZ3 LYS 70 90.127 -0.192 4.335 No H/Q in entry = 13 In of MODEL 13 1 H THR 71 H THR 71 91.390 -5.123 -1.782 2 HA THR 71 HA THR 71 89.349 -7.080 -2.314 3 HB THR 71 HB THR 71 91.198 -6.398 -4.526 4 HG1 THR 71 HG1 THR 71 89.845 -4.185 -4.135 5 HG21 THR 71 HG21 THR 71 88.768 -7.295 -4.596 6 HG22 THR 71 HG22 THR 71 88.291 -5.633 -4.248 7 HG23 THR 71 HG23 THR 71 89.204 -6.001 -5.710 No H/Q in entry = 7 In of MODEL 13 1 H GLY 72 H GLY 72 92.855 -6.919 -2.161 2 HA2 GLY 72 HA2 GLY 72 93.052 -9.783 -1.932 3 HA3 GLY 72 HA3 GLY 72 94.376 -8.631 -1.793 No H/Q in entry = 3 In of MODEL 13 1 H LYS 73 H LYS 73 93.272 -7.443 -4.417 2 HA LYS 73 HA LYS 73 94.266 -9.509 -6.268 3 HB2 LYS 73 HB2 LYS 73 92.380 -7.202 -6.556 4 HB3 LYS 73 HB3 LYS 73 93.246 -7.754 -7.986 5 HG2 LYS 73 HG2 LYS 73 91.289 -8.997 -8.086 6 HG3 LYS 73 HG3 LYS 73 92.390 -10.125 -7.306 7 HD2 LYS 73 HD2 LYS 73 91.500 -9.312 -5.078 8 HD3 LYS 73 HD3 LYS 73 90.318 -8.363 -5.966 9 HE2 LYS 73 HE2 LYS 73 89.618 -10.714 -5.113 10 HE3 LYS 73 HE3 LYS 73 89.191 -10.260 -6.762 11 HZ1 LYS 73 HZ1 LYS 73 91.681 -11.724 -6.111 12 HZ2 LYS 73 HZ2 LYS 73 90.223 -12.521 -6.450 13 HZ3 LYS 73 HZ3 LYS 73 90.939 -11.530 -7.628 No H/Q in entry = 13 In of MODEL 13 1 HA PRO 74 HA PRO 74 97.964 -7.053 -6.324 2 HB2 PRO 74 HB2 PRO 74 98.717 -8.825 -8.580 3 HB3 PRO 74 HB3 PRO 74 99.607 -8.436 -7.101 4 HG2 PRO 74 HG2 PRO 74 98.442 -10.793 -7.379 5 HG3 PRO 74 HG3 PRO 74 98.395 -9.935 -5.836 6 HD2 PRO 74 HD2 PRO 74 96.275 -10.142 -7.929 7 HD3 PRO 74 HD3 PRO 74 96.175 -10.315 -6.168 No H/Q in entry = 7 In of MODEL 13 1 H ALA 75 H ALA 75 98.867 -5.474 -7.562 2 HA ALA 75 HA ALA 75 97.591 -4.847 -10.167 3 HB1 ALA 75 HB1 ALA 75 97.081 -3.356 -8.031 4 HB2 ALA 75 HB2 ALA 75 97.330 -2.617 -9.607 5 HB3 ALA 75 HB3 ALA 75 98.644 -2.649 -8.431 No H/Q in entry = 5 In of MODEL 13 1 H THR 76 H THR 76 99.032 -3.867 -11.727 2 HA THR 76 HA THR 76 101.864 -4.431 -11.128 3 HB THR 76 HB THR 76 101.212 -5.738 -12.953 4 HG1 THR 76 HG1 THR 76 103.089 -4.269 -13.216 5 HG21 THR 76 HG21 THR 76 99.695 -3.281 -13.817 6 HG22 THR 76 HG22 THR 76 100.126 -4.527 -14.986 7 HG23 THR 76 HG23 THR 76 99.111 -4.930 -13.604 No H/Q in entry = 7 In of MODEL 13 1 H PHE 77 H PHE 77 103.316 -2.925 -10.994 2 HA PHE 77 HA PHE 77 102.889 -0.342 -12.365 3 HB2 PHE 77 HB2 PHE 77 104.155 -0.553 -9.627 4 HB3 PHE 77 HB3 PHE 77 103.812 0.898 -10.539 5 HD1 PHE 77 HD1 PHE 77 102.675 -1.257 -8.036 6 HD2 PHE 77 HD2 PHE 77 101.282 1.302 -11.195 7 HE1 PHE 77 HE1 PHE 77 100.440 -1.190 -6.975 8 HE2 PHE 77 HE2 PHE 77 99.036 1.391 -10.121 9 HZ PHE 77 HZ PHE 77 98.615 0.143 -8.012 No H/Q in entry = 9 In of MODEL 13 1 H GLN 78 H GLN 78 104.763 0.622 -12.988 2 HA GLN 78 HA GLN 78 107.105 -1.114 -13.105 3 HB2 GLN 78 HB2 GLN 78 106.318 1.392 -14.551 4 HB3 GLN 78 HB3 GLN 78 107.972 0.804 -14.585 5 HG2 GLN 78 HG2 GLN 78 107.083 -1.395 -15.370 6 HG3 GLN 78 HG3 GLN 78 105.509 -0.641 -15.530 7 HE21 GLN 78 HE21 GLN 78 107.768 1.694 -16.134 8 HE22 GLN 78 HE22 GLN 78 107.862 1.590 -17.824 No H/Q in entry = 8 In of MODEL 13 1 H VAL 79 H VAL 79 108.696 -0.848 -11.677 2 HA VAL 79 HA VAL 79 108.469 0.733 -9.469 3 HB VAL 79 HB VAL 79 111.104 -0.026 -10.752 No H/Q in entry = 3 In of MODEL 13 1 H SER 80 H SER 80 109.669 1.650 -12.669 2 HA SER 80 HA SER 80 110.866 4.086 -11.781 3 HB2 SER 80 HB2 SER 80 111.746 3.296 -13.799 4 HB3 SER 80 HB3 SER 80 110.149 2.966 -14.460 5 HG SER 80 HG SER 80 109.803 5.268 -14.404 No H/Q in entry = 5 In of MODEL 13 1 H GLN 81 H GLN 81 107.692 3.100 -12.691 2 HA GLN 81 HA GLN 81 106.768 5.881 -13.016 3 HB2 GLN 81 HB2 GLN 81 105.295 3.280 -13.402 4 HB3 GLN 81 HB3 GLN 81 104.737 4.877 -13.808 5 HG2 GLN 81 HG2 GLN 81 107.059 3.451 -15.065 6 HG3 GLN 81 HG3 GLN 81 105.477 3.846 -15.812 7 HE21 GLN 81 HE21 GLN 81 108.631 4.849 -15.814 8 HE22 GLN 81 HE22 GLN 81 108.407 6.494 -16.142 No H/Q in entry = 8 In of MODEL 13 1 H VAL 82 H VAL 82 106.942 3.603 -10.434 2 HA VAL 82 HA VAL 82 104.420 4.496 -9.240 3 HB VAL 82 HB VAL 82 105.275 2.118 -9.181 No H/Q in entry = 3 In of MODEL 13 1 H ILE 83 H ILE 83 104.432 5.100 -6.810 2 HA ILE 83 HA ILE 83 105.548 7.608 -6.647 3 HB ILE 83 HB ILE 83 105.360 6.613 -3.934 4 HD11 ILE 83 HD11 ILE 83 103.527 5.785 -2.745 5 HD12 ILE 83 HD12 ILE 83 102.157 6.430 -3.648 6 HD13 ILE 83 HD13 ILE 83 102.384 4.689 -3.513 No H/Q in entry = 6 In of MODEL 13 1 HA PRO 84 HA PRO 84 109.935 7.222 -5.936 2 HB2 PRO 84 HB2 PRO 84 109.531 9.016 -3.574 3 HB3 PRO 84 HB3 PRO 84 110.703 9.155 -4.895 4 HG2 PRO 84 HG2 PRO 84 108.563 10.702 -4.818 5 HG3 PRO 84 HG3 PRO 84 109.141 10.036 -6.344 6 HD2 PRO 84 HD2 PRO 84 106.790 9.225 -4.735 7 HD3 PRO 84 HD3 PRO 84 106.992 9.203 -6.483 No H/Q in entry = 7 In of MODEL 13 1 H GLY 85 H GLY 85 108.021 7.266 -2.932 2 HA2 GLY 85 HA2 GLY 85 108.152 5.914 -1.063 3 HA3 GLY 85 HA3 GLY 85 109.889 5.954 -1.299 No H/Q in entry = 3 In of MODEL 13 1 H TRP 86 H TRP 86 107.255 4.743 -3.223 2 HA TRP 86 HA TRP 86 107.576 1.964 -2.734 3 HB2 TRP 86 HB2 TRP 86 106.246 3.679 -4.790 4 HB3 TRP 86 HB3 TRP 86 106.402 1.962 -5.115 5 HD1 TRP 86 HD1 TRP 86 105.053 4.125 -2.160 6 HE1 TRP 86 HE1 TRP 86 102.927 2.972 -1.304 7 HE3 TRP 86 HE3 TRP 86 105.050 0.093 -5.173 8 HZ2 TRP 86 HZ2 TRP 86 101.444 0.610 -1.847 9 HZ3 TRP 86 HZ3 TRP 86 103.287 -1.604 -4.979 10 HH2 TRP 86 HH2 TRP 86 101.466 -1.353 -3.332 No H/Q in entry = 10 In of MODEL 13 1 H THR 87 H THR 87 108.950 4.186 -5.128 2 HA THR 87 HA THR 87 109.985 2.453 -6.969 3 HB THR 87 HB THR 87 111.438 4.872 -5.901 4 HG1 THR 87 HG1 THR 87 109.228 5.283 -6.361 5 HG21 THR 87 HG21 THR 87 112.534 3.309 -7.615 6 HG22 THR 87 HG22 THR 87 111.303 3.883 -8.725 7 HG23 THR 87 HG23 THR 87 112.429 5.013 -8.028 No H/Q in entry = 7 In of MODEL 13 1 H GLU 88 H GLU 88 111.670 3.643 -4.067 2 HA GLU 88 HA GLU 88 113.880 1.882 -4.428 3 HB2 GLU 88 HB2 GLU 88 113.860 4.120 -3.214 4 HB3 GLU 88 HB3 GLU 88 113.144 3.253 -1.854 5 HG2 GLU 88 HG2 GLU 88 115.509 3.238 -1.468 6 HG3 GLU 88 HG3 GLU 88 115.096 1.619 -2.031 No H/Q in entry = 6 In of MODEL 13 1 H ALA 89 H ALA 89 111.048 1.814 -2.294 2 HA ALA 89 HA ALA 89 111.763 -0.316 -0.660 3 HB1 ALA 89 HB1 ALA 89 109.042 0.507 -1.661 4 HB2 ALA 89 HB2 ALA 89 109.831 1.024 -0.172 5 HB3 ALA 89 HB3 ALA 89 109.320 -0.650 -0.366 No H/Q in entry = 5 In of MODEL 13 1 H LEU 90 H LEU 90 109.971 -0.524 -3.765 2 HA LEU 90 HA LEU 90 109.464 -3.276 -3.691 3 HB2 LEU 90 HB2 LEU 90 110.030 -1.518 -6.080 4 HB3 LEU 90 HB3 LEU 90 109.350 -3.130 -6.161 5 HG LEU 90 HG LEU 90 108.110 -0.879 -4.577 6 HD11 LEU 90 HD11 LEU 90 107.772 -1.733 -7.427 7 HD12 LEU 90 HD12 LEU 90 106.466 -0.943 -6.579 8 HD13 LEU 90 HD13 LEU 90 108.013 -0.126 -6.784 9 HD21 LEU 90 HD21 LEU 90 107.333 -3.681 -5.237 10 HD22 LEU 90 HD22 LEU 90 107.167 -2.822 -3.735 11 HD23 LEU 90 HD23 LEU 90 106.071 -2.487 -5.064 No H/Q in entry = 11 In of MODEL 13 1 H GLN 91 H GLN 91 112.244 -1.472 -4.862 2 HA GLN 91 HA GLN 91 113.669 -3.622 -5.955 3 HB2 GLN 91 HB2 GLN 91 114.722 -1.061 -4.771 4 HB3 GLN 91 HB3 GLN 91 115.581 -2.115 -5.886 5 HG2 GLN 91 HG2 GLN 91 114.003 -1.675 -7.648 6 HG3 GLN 91 HG3 GLN 91 112.925 -0.815 -6.550 7 HE21 GLN 91 HE21 GLN 91 113.128 1.167 -7.843 8 HE22 GLN 91 HE22 GLN 91 114.545 2.090 -7.816 No H/Q in entry = 8 In of MODEL 13 1 H LEU 92 H LEU 92 113.203 -2.567 -2.687 2 HA LEU 92 HA LEU 92 115.408 -4.303 -1.722 3 HB2 LEU 92 HB2 LEU 92 113.769 -2.276 -0.187 4 HB3 LEU 92 HB3 LEU 92 115.207 -3.120 0.384 5 HG LEU 92 HG LEU 92 115.171 -1.238 -1.979 6 HD11 LEU 92 HD11 LEU 92 116.037 -0.800 0.867 7 HD12 LEU 92 HD12 LEU 92 116.314 0.320 -0.473 8 HD13 LEU 92 HD13 LEU 92 114.673 -0.041 0.047 9 HD21 LEU 92 HD21 LEU 92 117.323 -2.709 -0.507 10 HD22 LEU 92 HD22 LEU 92 116.995 -2.720 -2.236 11 HD23 LEU 92 HD23 LEU 92 117.666 -1.283 -1.478 No H/Q in entry = 11 In of MODEL 13 1 H MET 93 H MET 93 112.076 -4.203 -2.122 2 HA MET 93 HA MET 93 111.411 -5.850 0.162 3 HB2 MET 93 HB2 MET 93 110.007 -4.046 -0.628 4 HB3 MET 93 HB3 MET 93 109.764 -4.896 -2.150 5 HG2 MET 93 HG2 MET 93 108.857 -6.827 -0.787 6 HG3 MET 93 HG3 MET 93 108.856 -5.744 0.602 7 HE1 MET 93 HE1 MET 93 107.923 -3.064 -0.021 8 HE2 MET 93 HE2 MET 93 108.324 -3.114 -1.728 9 HE3 MET 93 HE3 MET 93 106.682 -2.787 -1.226 No H/Q in entry = 9 In of MODEL 13 1 HA PRO 94 HA PRO 94 112.326 -9.509 -2.481 2 HB2 PRO 94 HB2 PRO 94 111.734 -11.005 -0.012 3 HB3 PRO 94 HB3 PRO 94 113.199 -11.024 -1.014 4 HG2 PRO 94 HG2 PRO 94 113.169 -9.888 1.398 5 HG3 PRO 94 HG3 PRO 94 114.091 -9.185 0.055 6 HD2 PRO 94 HD2 PRO 94 111.415 -8.377 1.116 7 HD3 PRO 94 HD3 PRO 94 112.794 -7.383 0.665 No H/Q in entry = 7 In of MODEL 13 1 H ALA 95 H ALA 95 111.102 -11.080 -3.466 2 HA ALA 95 HA ALA 95 108.317 -10.701 -3.486 3 HB1 ALA 95 HB1 ALA 95 108.267 -12.767 -4.891 4 HB2 ALA 95 HB2 ALA 95 110.020 -12.848 -4.678 5 HB3 ALA 95 HB3 ALA 95 109.285 -11.459 -5.482 No H/Q in entry = 5 In of MODEL 13 1 H GLY 96 H GLY 96 106.688 -11.564 -2.494 2 HA2 GLY 96 HA2 GLY 96 107.026 -14.031 -0.953 3 HA3 GLY 96 HA3 GLY 96 105.515 -13.216 -1.343 No H/Q in entry = 3 In of MODEL 13 1 H SER 97 H SER 97 108.095 -11.192 -0.303 2 HA SER 97 HA SER 97 107.367 -11.299 2.501 3 HB2 SER 97 HB2 SER 97 109.715 -10.911 1.750 4 HB3 SER 97 HB3 SER 97 109.215 -9.380 1.052 5 HG SER 97 HG SER 97 110.061 -9.207 3.206 No H/Q in entry = 5 In of MODEL 13 1 H THR 98 H THR 98 105.841 -10.117 3.426 2 HA THR 98 HA THR 98 104.556 -7.998 1.848 3 HB THR 98 HB THR 98 103.626 -9.229 4.441 4 HG1 THR 98 HG1 THR 98 103.730 -10.305 2.064 5 HG21 THR 98 HG21 THR 98 102.361 -7.406 2.380 6 HG22 THR 98 HG22 THR 98 101.462 -8.242 3.647 7 HG23 THR 98 HG23 THR 98 102.690 -7.051 4.072 No H/Q in entry = 7 In of MODEL 13 1 H TRP 99 H TRP 99 105.364 -6.048 2.114 2 HA TRP 99 HA TRP 99 106.298 -5.254 4.809 3 HB2 TRP 99 HB2 TRP 99 107.103 -4.266 2.068 4 HB3 TRP 99 HB3 TRP 99 107.591 -3.482 3.561 5 HD1 TRP 99 HD1 TRP 99 107.625 -7.197 3.938 6 HE1 TRP 99 HE1 TRP 99 110.000 -8.081 3.807 7 HE3 TRP 99 HE3 TRP 99 109.951 -2.990 2.245 8 HZ2 TRP 99 HZ2 TRP 99 112.605 -7.117 3.085 9 HZ3 TRP 99 HZ3 TRP 99 112.409 -3.008 1.856 10 HH2 TRP 99 HH2 TRP 99 113.735 -5.060 2.281 No H/Q in entry = 10 In of MODEL 13 1 H GLU 100 H GLU 100 106.140 -3.008 5.279 2 HA GLU 100 HA GLU 100 103.864 -1.587 4.064 3 HB2 GLU 100 HB2 GLU 100 104.525 -1.893 7.000 4 HB3 GLU 100 HB3 GLU 100 103.569 -0.542 6.399 5 HG2 GLU 100 HG2 GLU 100 101.926 -2.044 5.483 6 HG3 GLU 100 HG3 GLU 100 102.880 -3.441 5.923 No H/Q in entry = 6 In of MODEL 13 1 H ILE 101 H ILE 101 104.540 0.390 3.319 2 HA ILE 101 HA ILE 101 107.010 1.456 4.472 3 HB ILE 101 HB ILE 101 107.907 2.021 2.440 4 HD11 ILE 101 HD11 ILE 101 107.894 2.744 0.187 5 HD12 ILE 101 HD12 ILE 101 107.191 1.208 -0.311 6 HD13 ILE 101 HD13 ILE 101 106.430 2.715 -0.775 No H/Q in entry = 6 In of MODEL 13 1 H TYR 102 H TYR 102 107.108 3.422 5.065 2 HA TYR 102 HA TYR 102 104.635 5.033 4.947 3 HB2 TYR 102 HB2 TYR 102 106.993 5.197 6.830 4 HB3 TYR 102 HB3 TYR 102 105.501 6.073 6.991 5 HD1 TYR 102 HD1 TYR 102 106.355 2.429 6.373 6 HD2 TYR 102 HD2 TYR 102 104.223 5.254 8.780 7 HE1 TYR 102 HE1 TYR 102 105.374 0.589 7.617 8 HE2 TYR 102 HE2 TYR 102 103.236 3.393 10.068 9 HH TYR 102 HH TYR 102 103.179 0.280 9.046 No H/Q in entry = 9 In of MODEL 13 1 H VAL 103 H VAL 103 104.872 6.214 3.171 2 HA VAL 103 HA VAL 103 107.417 7.167 2.325 3 HB VAL 103 HB VAL 103 104.804 7.710 1.017 No H/Q in entry = 3 In of MODEL 13 1 HA PRO 104 HA PRO 104 106.903 11.221 4.265 2 HB2 PRO 104 HB2 PRO 104 109.140 11.773 2.348 3 HB3 PRO 104 HB3 PRO 104 109.035 12.149 4.081 4 HG2 PRO 104 HG2 PRO 104 110.549 10.134 3.142 5 HG3 PRO 104 HG3 PRO 104 109.750 10.047 4.705 6 HD2 PRO 104 HD2 PRO 104 109.097 8.638 2.197 7 HD3 PRO 104 HD3 PRO 104 108.735 8.186 3.879 No H/Q in entry = 7 In of MODEL 13 1 H SER 105 H SER 105 105.860 13.050 3.496 2 HA SER 105 HA SER 105 104.309 12.902 1.258 3 HB2 SER 105 HB2 SER 105 103.980 15.321 1.468 4 HB3 SER 105 HB3 SER 105 103.963 14.544 3.046 5 HG SER 105 HG SER 105 105.994 15.288 3.432 No H/Q in entry = 5 In of MODEL 13 1 H GLY 106 H GLY 106 107.587 14.158 1.515 2 HA2 GLY 106 HA2 GLY 106 109.107 14.818 -0.082 3 HA3 GLY 106 HA3 GLY 106 107.742 15.306 -1.074 No H/Q in entry = 3 In of MODEL 13 1 H LEU 107 H LEU 107 108.211 12.049 0.142 2 HA LEU 107 HA LEU 107 109.146 11.127 -2.504 3 HB2 LEU 107 HB2 LEU 107 108.933 9.632 0.121 4 HB3 LEU 107 HB3 LEU 107 109.615 8.988 -1.348 5 HG LEU 107 HG LEU 107 110.691 11.304 0.272 6 HD11 LEU 107 HD11 LEU 107 111.817 8.584 -0.389 7 HD12 LEU 107 HD12 LEU 107 112.650 9.831 0.529 8 HD13 LEU 107 HD13 LEU 107 111.193 9.083 1.177 9 HD21 LEU 107 HD21 LEU 107 111.345 10.335 -2.491 10 HD22 LEU 107 HD22 LEU 107 111.220 11.988 -1.898 11 HD23 LEU 107 HD23 LEU 107 112.628 11.011 -1.490 No H/Q in entry = 11 In of MODEL 13 1 H ALA 108 H ALA 108 106.250 11.682 -1.100 2 HA ALA 108 HA ALA 108 104.971 9.271 -2.196 3 HB1 ALA 108 HB1 ALA 108 103.761 11.317 -0.338 4 HB2 ALA 108 HB2 ALA 108 103.105 9.756 -0.788 5 HB3 ALA 108 HB3 ALA 108 104.532 9.858 0.207 No H/Q in entry = 5 In of MODEL 13 1 H TYR 109 H TYR 109 102.837 11.823 -1.631 2 HA TYR 109 HA TYR 109 102.580 12.265 -4.506 3 HB2 TYR 109 HB2 TYR 109 100.693 12.466 -2.172 4 HB3 TYR 109 HB3 TYR 109 100.298 13.243 -3.704 5 HD1 TYR 109 HD1 TYR 109 100.593 10.090 -1.954 6 HD2 TYR 109 HD2 TYR 109 100.307 11.885 -5.825 7 HE1 TYR 109 HE1 TYR 109 100.165 7.906 -2.924 8 HE2 TYR 109 HE2 TYR 109 99.888 9.706 -6.811 9 HH TYR 109 HH TYR 109 100.648 7.010 -5.601 No H/Q in entry = 9 In of MODEL 13 1 H GLY 110 H GLY 110 104.222 13.742 -2.147 2 HA2 GLY 110 HA2 GLY 110 103.833 16.411 -3.381 3 HA3 GLY 110 HA3 GLY 110 105.341 15.802 -2.733 No H/Q in entry = 3 In of MODEL 13 1 HA PRO 111 HA PRO 111 104.446 17.595 1.216 2 HB2 PRO 111 HB2 PRO 111 105.625 20.006 1.008 3 HB3 PRO 111 HB3 PRO 111 106.574 18.510 0.998 4 HG2 PRO 111 HG2 PRO 111 105.694 20.180 -1.317 5 HG3 PRO 111 HG3 PRO 111 107.291 19.477 -0.985 6 HD2 PRO 111 HD2 PRO 111 105.512 18.308 -2.679 7 HD3 PRO 111 HD3 PRO 111 106.657 17.365 -1.709 No H/Q in entry = 7 In of MODEL 13 1 H ARG 112 H ARG 112 103.222 18.816 -1.669 2 HA ARG 112 HA ARG 112 101.453 20.802 -0.389 3 HB2 ARG 112 HB2 ARG 112 102.804 21.315 -2.491 4 HB3 ARG 112 HB3 ARG 112 101.773 20.164 -3.330 5 HG2 ARG 112 HG2 ARG 112 99.788 21.472 -2.768 6 HG3 ARG 112 HG3 ARG 112 100.763 22.595 -1.821 7 HD2 ARG 112 HD2 ARG 112 102.068 23.090 -3.923 8 HD3 ARG 112 HD3 ARG 112 100.905 22.111 -4.807 9 HE ARG 112 HE ARG 112 99.424 23.981 -3.367 10 HH11 ARG 112 HH11 ARG 112 101.862 23.933 -5.825 11 HH12 ARG 112 HH12 ARG 112 101.306 25.380 -6.595 12 HH21 ARG 112 HH21 ARG 112 98.688 25.871 -4.374 13 HH22 ARG 112 HH22 ARG 112 99.507 26.478 -5.775 No H/Q in entry = 13 In of MODEL 13 1 H SER 113 H SER 113 99.115 20.705 -1.135 2 HA SER 113 HA SER 113 98.105 18.063 -0.769 3 HB2 SER 113 HB2 SER 113 96.504 20.391 -1.806 4 HB3 SER 113 HB3 SER 113 95.981 19.057 -0.785 5 HG SER 113 HG SER 113 96.360 21.089 0.324 No H/Q in entry = 5 In of MODEL 13 1 H VAL 114 H VAL 114 98.734 16.706 -2.448 2 HA VAL 114 HA VAL 114 97.943 17.543 -5.201 3 HB VAL 114 HB VAL 114 99.885 15.338 -4.544 No H/Q in entry = 3 In of MODEL 13 1 H GLY 115 H GLY 115 95.752 16.747 -4.058 2 HA2 GLY 115 HA2 GLY 115 95.426 13.884 -4.015 3 HA3 GLY 115 HA3 GLY 115 94.769 14.624 -5.469 No H/Q in entry = 3 In of MODEL 13 1 H GLY 116 H GLY 116 92.814 13.588 -4.497 2 HA2 GLY 116 HA2 GLY 116 90.786 13.686 -3.396 3 HA3 GLY 116 HA3 GLY 116 90.946 15.414 -3.625 No H/Q in entry = 3 In of MODEL 13 1 HA PRO 117 HA PRO 117 90.767 14.613 0.953 2 HB2 PRO 117 HB2 PRO 117 91.585 12.229 1.991 3 HB3 PRO 117 HB3 PRO 117 89.961 12.491 1.340 4 HG2 PRO 117 HG2 PRO 117 92.353 11.375 -0.044 5 HG3 PRO 117 HG3 PRO 117 90.718 10.704 0.040 6 HD2 PRO 117 HD2 PRO 117 91.476 12.015 -2.112 7 HD3 PRO 117 HD3 PRO 117 89.869 12.341 -1.420 No H/Q in entry = 7 In of MODEL 13 1 H ILE 118 H ILE 118 93.602 13.563 -0.724 2 HA ILE 118 HA ILE 118 95.459 13.851 1.415 3 HB ILE 118 HB ILE 118 96.000 14.177 -1.550 4 HD11 ILE 118 HD11 ILE 118 94.371 12.677 -2.079 5 HD12 ILE 118 HD12 ILE 118 95.422 11.386 -2.650 6 HD13 ILE 118 HD13 ILE 118 94.264 11.077 -1.367 No H/Q in entry = 6 In of MODEL 13 1 H GLY 119 H GLY 119 95.881 15.660 2.404 2 HA2 GLY 119 HA2 GLY 119 95.432 17.871 2.892 3 HA3 GLY 119 HA3 GLY 119 95.203 18.241 1.202 No H/Q in entry = 3 In of MODEL 13 1 HA PRO 120 HA PRO 120 99.180 20.155 1.375 2 HB2 PRO 120 HB2 PRO 120 99.209 21.855 3.567 3 HB3 PRO 120 HB3 PRO 120 98.446 22.231 2.018 4 HG2 PRO 120 HG2 PRO 120 97.196 21.253 4.524 5 HG3 PRO 120 HG3 PRO 120 96.585 22.403 3.352 6 HD2 PRO 120 HD2 PRO 120 95.720 19.847 3.514 7 HD3 PRO 120 HD3 PRO 120 95.762 20.730 1.984 No H/Q in entry = 7 In of MODEL 13 1 H ASN 121 H ASN 121 101.288 19.777 2.111 2 HA ASN 121 HA ASN 121 102.901 18.515 3.198 3 HB2 ASN 121 HB2 ASN 121 102.309 20.659 4.640 4 HB3 ASN 121 HB3 ASN 121 101.707 19.465 5.787 5 HD21 ASN 121 HD21 ASN 121 103.541 17.411 5.667 6 HD22 ASN 121 HD22 ASN 121 105.097 17.974 6.048 No H/Q in entry = 6 In of MODEL 13 1 H GLU 122 H GLU 122 100.995 16.806 2.492 2 HA GLU 122 HA GLU 122 100.255 15.199 4.854 3 HB2 GLU 122 HB2 GLU 122 98.699 16.103 2.967 4 HB3 GLU 122 HB3 GLU 122 99.291 14.713 2.111 5 HG2 GLU 122 HG2 GLU 122 97.260 14.087 3.123 6 HG3 GLU 122 HG3 GLU 122 98.535 13.313 4.078 No H/Q in entry = 6 In of MODEL 13 1 H THR 123 H THR 123 101.207 13.411 5.313 2 HA THR 123 HA THR 123 103.073 12.157 3.410 3 HB THR 123 HB THR 123 102.613 11.834 6.378 4 HG1 THR 123 HG1 THR 123 103.772 13.649 5.878 5 HG21 THR 123 HG21 THR 123 103.291 9.679 5.190 6 HG22 THR 123 HG22 THR 123 104.755 10.505 4.720 7 HG23 THR 123 HG23 THR 123 104.406 10.237 6.422 No H/Q in entry = 7 In of MODEL 13 1 H LEU 124 H LEU 124 102.646 10.199 2.503 2 HA LEU 124 HA LEU 124 100.120 8.844 3.309 3 HB2 LEU 124 HB2 LEU 124 101.486 8.866 0.609 4 HB3 LEU 124 HB3 LEU 124 100.043 7.960 1.008 5 HG LEU 124 HG LEU 124 99.190 9.856 -0.073 6 HD11 LEU 124 HD11 LEU 124 98.200 9.538 2.223 7 HD12 LEU 124 HD12 LEU 124 99.218 10.882 2.724 8 HD13 LEU 124 HD13 LEU 124 97.999 11.135 1.500 9 HD21 LEU 124 HD21 LEU 124 101.382 11.060 -0.120 10 HD22 LEU 124 HD22 LEU 124 99.982 12.092 0.125 11 HD23 LEU 124 HD23 LEU 124 101.002 11.663 1.479 No H/Q in entry = 11 In of MODEL 13 1 H ILE 125 H ILE 125 100.098 6.699 3.629 2 HA ILE 125 HA ILE 125 102.652 5.210 3.499 3 HB ILE 125 HB ILE 125 102.204 5.413 5.818 4 HD11 ILE 125 HD11 ILE 125 102.152 3.811 7.452 5 HD12 ILE 125 HD12 ILE 125 100.616 2.988 7.352 6 HD13 ILE 125 HD13 ILE 125 102.112 2.105 7.078 No H/Q in entry = 6 In of MODEL 13 1 H PHE 126 H PHE 126 102.498 3.053 2.843 2 HA PHE 126 HA PHE 126 99.860 2.102 2.042 3 HB2 PHE 126 HB2 PHE 126 102.128 1.691 0.131 4 HB3 PHE 126 HB3 PHE 126 100.382 1.644 -0.164 5 HD1 PHE 126 HD1 PHE 126 99.305 3.545 -1.054 6 HD2 PHE 126 HD2 PHE 126 103.108 3.957 0.885 7 HE1 PHE 126 HE1 PHE 126 99.398 5.944 -1.724 8 HE2 PHE 126 HE2 PHE 126 103.181 6.333 0.220 9 HZ PHE 126 HZ PHE 126 101.347 7.323 -1.075 No H/Q in entry = 9 In of MODEL 13 1 H LYS 127 H LYS 127 99.640 -0.149 1.923 2 HA LYS 127 HA LYS 127 101.756 -1.637 3.293 3 HB2 LYS 127 HB2 LYS 127 99.255 -3.113 2.835 4 HB3 LYS 127 HB3 LYS 127 100.094 -2.811 4.335 5 HG2 LYS 127 HG2 LYS 127 98.292 -0.814 2.987 6 HG3 LYS 127 HG3 LYS 127 97.793 -1.885 4.285 7 HD2 LYS 127 HD2 LYS 127 99.469 -0.918 5.791 8 HD3 LYS 127 HD3 LYS 127 100.032 0.152 4.520 9 HE2 LYS 127 HE2 LYS 127 97.866 1.256 4.423 10 HE3 LYS 127 HE3 LYS 127 97.205 0.127 5.606 11 HZ1 LYS 127 HZ1 LYS 127 99.462 2.000 6.080 12 HZ2 LYS 127 HZ2 LYS 127 97.869 2.223 6.624 13 HZ3 LYS 127 HZ3 LYS 127 98.796 0.936 7.225 No H/Q in entry = 13 In of MODEL 13 1 H ILE 128 H ILE 128 103.026 -2.861 2.032 2 HA ILE 128 HA ILE 128 101.911 -3.515 -0.654 3 HB ILE 128 HB ILE 128 104.837 -3.234 -0.089 4 HD11 ILE 128 HD11 ILE 128 104.960 -0.739 -1.964 5 HD12 ILE 128 HD12 ILE 128 104.694 0.523 -0.779 6 HD13 ILE 128 HD13 ILE 128 105.840 -0.760 -0.436 No H/Q in entry = 6 In of MODEL 13 1 H HIS 129 H HIS 129 101.541 -5.459 -1.055 2 HA HIS 129 HA HIS 129 103.090 -7.639 0.186 3 HB2 HIS 129 HB2 HIS 129 100.705 -7.774 0.674 4 HB3 HIS 129 HB3 HIS 129 100.322 -7.584 -1.035 5 HD2 HIS 129 HD2 HIS 129 103.139 -10.106 0.175 6 HE1 HIS 129 HE1 HIS 129 99.977 -12.277 -1.598 7 HE2 HIS 129 HE2 HIS 129 102.334 -12.442 -0.702 No H/Q in entry = 7 In of MODEL 13 1 H LEU 130 H LEU 130 104.528 -8.618 -1.145 2 HA LEU 130 HA LEU 130 104.285 -8.109 -4.017 3 HB2 LEU 130 HB2 LEU 130 106.450 -8.071 -2.294 4 HB3 LEU 130 HB3 LEU 130 106.627 -9.584 -3.128 5 HG LEU 130 HG LEU 130 106.249 -6.933 -4.482 6 HD11 LEU 130 HD11 LEU 130 108.450 -7.087 -3.412 7 HD12 LEU 130 HD12 LEU 130 108.728 -8.622 -4.215 8 HD13 LEU 130 HD13 LEU 130 108.621 -7.159 -5.170 9 HD21 LEU 130 HD21 LEU 130 105.379 -8.845 -5.810 10 HD22 LEU 130 HD22 LEU 130 106.791 -8.129 -6.538 11 HD23 LEU 130 HD23 LEU 130 106.957 -9.629 -5.655 No H/Q in entry = 11 In of MODEL 13 1 H ILE 131 H ILE 131 103.122 -9.473 -5.147 2 HA ILE 131 HA ILE 131 103.004 -12.308 -4.405 3 HB ILE 131 HB ILE 131 101.459 -10.629 -6.397 4 HD11 ILE 131 HD11 ILE 131 100.353 -9.120 -5.012 5 HD12 ILE 131 HD12 ILE 131 99.768 -9.559 -3.412 6 HD13 ILE 131 HD13 ILE 131 101.490 -9.411 -3.693 No H/Q in entry = 6 In of MODEL 13 1 H SER 132 H SER 132 103.835 -10.300 -7.259 2 HA SER 132 HA SER 132 105.719 -12.377 -8.082 3 HB2 SER 132 HB2 SER 132 104.748 -12.916 -10.129 4 HB3 SER 132 HB3 SER 132 103.340 -12.801 -9.077 5 HG SER 132 HG SER 132 104.322 -10.955 -10.972 No H/Q in entry = 5 In of MODEL 13 1 H VAL 133 H VAL 133 107.137 -11.709 -9.784 2 HA VAL 133 HA VAL 133 107.360 -8.770 -10.123 3 HB VAL 133 HB VAL 133 109.600 -10.741 -9.558 No H/Q in entry = 3 In of MODEL 13 1 H LYS 134 H LYS 134 108.021 -8.098 -12.134 2 HA LYS 134 HA LYS 134 107.808 -9.940 -14.303 3 HB2 LYS 134 HB2 LYS 134 106.685 -7.836 -14.461 4 HB3 LYS 134 HB3 LYS 134 108.175 -7.017 -14.042 5 HG2 LYS 134 HG2 LYS 134 107.519 -6.939 -16.493 6 HG3 LYS 134 HG3 LYS 134 109.161 -7.434 -16.156 7 HD2 LYS 134 HD2 LYS 134 108.517 -9.793 -16.401 8 HD3 LYS 134 HD3 LYS 134 106.849 -9.315 -16.715 9 HE2 LYS 134 HE2 LYS 134 109.081 -8.164 -18.374 10 HE3 LYS 134 HE3 LYS 134 108.471 -9.780 -18.734 11 HZ1 LYS 134 HZ1 LYS 134 106.178 -8.579 -18.578 12 HZ2 LYS 134 HZ2 LYS 134 107.096 -7.193 -18.920 13 HZ3 LYS 134 HZ3 LYS 134 107.100 -8.500 -20.004 No H/Q in entry = 13 In of MODEL 13 1 H LYS 135 H LYS 135 109.929 -7.274 -14.227 2 HA LYS 135 HA LYS 135 112.242 -7.049 -14.231 3 HB2 LYS 135 HB2 LYS 135 112.204 -9.579 -13.437 4 HB3 LYS 135 HB3 LYS 135 112.751 -9.858 -15.085 5 HG2 LYS 135 HG2 LYS 135 114.002 -8.068 -12.998 6 HG3 LYS 135 HG3 LYS 135 114.659 -9.567 -13.646 7 HD2 LYS 135 HD2 LYS 135 114.434 -8.253 -15.942 8 HD3 LYS 135 HD3 LYS 135 114.474 -6.855 -14.908 9 HE2 LYS 135 HE2 LYS 135 116.575 -7.596 -13.963 10 HE3 LYS 135 HE3 LYS 135 116.554 -9.040 -14.961 11 HZ1 LYS 135 HZ1 LYS 135 116.377 -6.348 -16.157 12 HZ2 LYS 135 HZ2 LYS 135 117.881 -7.032 -15.780 13 HZ3 LYS 135 HZ3 LYS 135 116.852 -7.807 -16.887 No H/Q in entry = 13 In of MODEL 13 1 H SER 136 H SER 136 113.121 -6.085 -15.761 2 HA SER 136 HA SER 136 112.040 -6.122 -18.402 3 HB2 SER 136 HB2 SER 136 112.829 -4.057 -17.445 4 HB3 SER 136 HB3 SER 136 114.436 -4.736 -17.190 5 HG SER 136 HG SER 136 114.247 -3.442 -19.112 No H/Q in entry = 5 In of MODEL 13 1 H SER 137 H SER 137 113.195 -8.685 -17.675 2 HA SER 137 HA SER 137 115.706 -8.909 -19.114 3 HB2 SER 137 HB2 SER 137 115.104 -10.358 -17.135 4 HB3 SER 137 HB3 SER 137 113.913 -11.151 -18.164 5 HG SER 137 HG SER 137 116.350 -10.900 -19.352 No H/Q in entry = 5 In of MODEL 14 1 H1 PHE 1 H1 PHE 1 96.092 29.137 4.077 2 H2 PHE 1 H2 PHE 1 94.406 29.155 3.879 3 H3 PHE 1 H3 PHE 1 95.077 28.740 5.380 4 HA PHE 1 HA PHE 1 94.309 26.776 4.259 5 HB2 PHE 1 HB2 PHE 1 96.073 27.861 2.060 6 HB3 PHE 1 HB3 PHE 1 95.655 26.150 2.136 7 HD1 PHE 1 HD1 PHE 1 93.135 25.569 2.381 8 HD2 PHE 1 HD2 PHE 1 94.585 29.378 1.026 9 HE1 PHE 1 HE1 PHE 1 90.941 26.027 1.324 10 HE2 PHE 1 HE2 PHE 1 92.389 29.837 -0.031 11 HZ PHE 1 HZ PHE 1 90.568 28.161 0.117 No H/Q in entry = 11 In of MODEL 14 1 H ASN 2 H ASN 2 97.444 28.223 4.773 2 HA ASN 2 HA ASN 2 98.934 25.820 4.941 3 HB2 ASN 2 HB2 ASN 2 99.455 28.388 6.435 4 HB3 ASN 2 HB3 ASN 2 100.601 27.086 6.146 5 HD21 ASN 2 HD21 ASN 2 101.912 28.834 5.036 6 HD22 ASN 2 HD22 ASN 2 101.549 29.214 3.422 No H/Q in entry = 6 In of MODEL 14 1 H LYS 3 H LYS 3 96.827 27.476 7.204 2 HA LYS 3 HA LYS 3 97.613 26.358 9.594 3 HB2 LYS 3 HB2 LYS 3 95.875 28.017 9.473 4 HB3 LYS 3 HB3 LYS 3 94.867 26.886 8.616 5 HG2 LYS 3 HG2 LYS 3 95.476 25.447 10.917 6 HG3 LYS 3 HG3 LYS 3 95.385 27.092 11.519 7 HD2 LYS 3 HD2 LYS 3 93.192 26.277 11.721 8 HD3 LYS 3 HD3 LYS 3 93.138 27.216 10.227 9 HE2 LYS 3 HE2 LYS 3 93.562 25.091 8.967 10 HE3 LYS 3 HE3 LYS 3 93.466 24.222 10.481 11 HZ1 LYS 3 HZ1 LYS 3 91.221 25.422 10.721 12 HZ2 LYS 3 HZ2 LYS 3 91.333 25.650 9.046 13 HZ3 LYS 3 HZ3 LYS 3 91.319 24.078 9.687 No H/Q in entry = 13 In of MODEL 14 1 H LYS 4 H LYS 4 95.523 24.902 7.106 2 HA LYS 4 HA LYS 4 95.105 22.526 8.600 3 HB2 LYS 4 HB2 LYS 4 93.848 23.480 6.487 4 HB3 LYS 4 HB3 LYS 4 95.013 22.497 5.600 5 HG2 LYS 4 HG2 LYS 4 93.201 21.486 7.813 6 HG3 LYS 4 HG3 LYS 4 92.885 21.300 6.095 7 HD2 LYS 4 HD2 LYS 4 95.209 20.138 6.010 8 HD3 LYS 4 HD3 LYS 4 95.042 20.030 7.759 9 HE2 LYS 4 HE2 LYS 4 92.954 18.805 7.553 10 HE3 LYS 4 HE3 LYS 4 92.972 18.995 5.801 11 HZ1 LYS 4 HZ1 LYS 4 95.248 17.728 7.160 12 HZ2 LYS 4 HZ2 LYS 4 93.845 16.824 6.856 13 HZ3 LYS 4 HZ3 LYS 4 94.699 17.526 5.564 No H/Q in entry = 13 In of MODEL 14 1 H ALA 5 H ALA 5 97.349 23.512 6.086 2 HA ALA 5 HA ALA 5 98.743 21.182 5.574 3 HB1 ALA 5 HB1 ALA 5 100.425 22.587 4.688 4 HB2 ALA 5 HB2 ALA 5 100.054 23.879 5.808 5 HB3 ALA 5 HB3 ALA 5 98.941 23.516 4.500 No H/Q in entry = 5 In of MODEL 14 1 H ASP 6 H ASP 6 98.967 23.394 8.237 2 HA ASP 6 HA ASP 6 101.360 22.412 9.351 3 HB2 ASP 6 HB2 ASP 6 99.020 23.833 10.543 4 HB3 ASP 6 HB3 ASP 6 100.455 23.413 11.453 No H/Q in entry = 4 In of MODEL 14 1 H GLU 7 H GLU 7 97.938 21.516 9.768 2 HA GLU 7 HA GLU 7 98.263 19.721 11.906 3 HB2 GLU 7 HB2 GLU 7 96.307 19.456 9.667 4 HB3 GLU 7 HB3 GLU 7 96.120 18.865 11.314 5 HG2 GLU 7 HG2 GLU 7 96.341 21.270 12.061 6 HG3 GLU 7 HG3 GLU 7 96.190 21.712 10.368 No H/Q in entry = 6 In of MODEL 14 1 H ASN 8 H ASN 8 98.038 19.073 8.462 2 HA ASN 8 HA ASN 8 98.611 16.308 8.612 3 HB2 ASN 8 HB2 ASN 8 99.387 18.167 6.376 4 HB3 ASN 8 HB3 ASN 8 99.008 16.454 6.272 5 HD21 ASN 8 HD21 ASN 8 97.501 17.894 4.616 6 HD22 ASN 8 HD22 ASN 8 95.939 18.152 5.216 No H/Q in entry = 6 In of MODEL 14 1 H LYS 9 H LYS 9 100.526 19.166 8.417 2 HA LYS 9 HA LYS 9 103.069 17.962 8.059 3 HB2 LYS 9 HB2 LYS 9 102.837 20.217 7.470 4 HB3 LYS 9 HB3 LYS 9 102.085 20.605 8.986 5 HG2 LYS 9 HG2 LYS 9 104.099 20.576 10.169 6 HG3 LYS 9 HG3 LYS 9 104.885 19.634 8.921 7 HD2 LYS 9 HD2 LYS 9 105.759 21.820 8.684 8 HD3 LYS 9 HD3 LYS 9 104.620 21.648 7.368 9 HE2 LYS 9 HE2 LYS 9 103.518 22.775 9.895 10 HE3 LYS 9 HE3 LYS 9 104.684 23.787 9.055 11 HZ1 LYS 9 HZ1 LYS 9 102.611 22.518 7.436 12 HZ2 LYS 9 HZ2 LYS 9 102.149 23.812 8.434 13 HZ3 LYS 9 HZ3 LYS 9 103.353 24.037 7.262 No H/Q in entry = 13 In of MODEL 14 1 H VAL 10 H VAL 10 101.476 19.211 11.063 2 HA VAL 10 HA VAL 10 103.647 18.424 12.728 3 HB VAL 10 HB VAL 10 100.754 18.959 13.377 No H/Q in entry = 3 In of MODEL 14 1 H LYS 11 H LYS 11 100.546 16.845 12.018 2 HA LYS 11 HA LYS 11 101.068 14.558 13.591 3 HB2 LYS 11 HB2 LYS 11 99.249 15.074 11.278 4 HB3 LYS 11 HB3 LYS 11 99.357 13.500 12.028 5 HG2 LYS 11 HG2 LYS 11 97.583 14.445 13.232 6 HG3 LYS 11 HG3 LYS 11 98.942 14.837 14.277 7 HD2 LYS 11 HD2 LYS 11 99.107 17.045 13.053 8 HD3 LYS 11 HD3 LYS 11 97.576 16.652 12.276 9 HE2 LYS 11 HE2 LYS 11 98.105 16.981 15.236 10 HE3 LYS 11 HE3 LYS 11 97.157 18.049 14.208 11 HZ1 LYS 11 HZ1 LYS 11 95.802 15.917 13.738 12 HZ2 LYS 11 HZ2 LYS 11 96.494 15.355 15.186 13 HZ3 LYS 11 HZ3 LYS 11 95.547 16.765 15.184 No H/Q in entry = 13 In of MODEL 14 1 H GLY 12 H GLY 12 101.723 15.494 10.302 2 HA2 GLY 12 HA2 GLY 12 102.972 14.499 8.626 3 HA3 GLY 12 HA3 GLY 12 102.766 12.978 9.462 No H/Q in entry = 3 In of MODEL 14 1 H GLU 13 H GLU 13 104.370 15.995 10.534 2 HA GLU 13 HA GLU 13 107.014 15.093 10.184 3 HB2 GLU 13 HB2 GLU 13 105.812 17.042 12.155 4 HB3 GLU 13 HB3 GLU 13 107.537 16.697 12.125 5 HG2 GLU 13 HG2 GLU 13 107.681 17.427 9.804 6 HG3 GLU 13 HG3 GLU 13 105.951 17.722 9.767 No H/Q in entry = 6 In of MODEL 14 1 H ALA 14 H ALA 14 104.653 14.605 12.688 2 HA ALA 14 HA ALA 14 106.419 13.302 14.512 3 HB1 ALA 14 HB1 ALA 14 103.415 13.554 14.420 4 HB2 ALA 14 HB2 ALA 14 104.528 14.501 15.404 5 HB3 ALA 14 HB3 ALA 14 104.304 12.786 15.732 No H/Q in entry = 5 In of MODEL 14 1 H PHE 15 H PHE 15 104.221 12.441 11.983 2 HA PHE 15 HA PHE 15 103.846 9.711 12.543 3 HB2 PHE 15 HB2 PHE 15 102.581 11.121 10.910 4 HB3 PHE 15 HB3 PHE 15 103.974 11.061 9.845 5 HD1 PHE 15 HD1 PHE 15 104.335 9.223 8.446 6 HD2 PHE 15 HD2 PHE 15 101.488 8.976 11.639 7 HE1 PHE 15 HE1 PHE 15 103.461 7.092 7.514 8 HE2 PHE 15 HE2 PHE 15 100.640 6.831 10.738 9 HZ PHE 15 HZ PHE 15 101.626 5.896 8.669 No H/Q in entry = 9 In of MODEL 14 1 H LEU 16 H LEU 16 106.190 11.368 10.463 2 HA LEU 16 HA LEU 16 107.567 8.952 9.820 3 HB2 LEU 16 HB2 LEU 16 108.401 11.843 9.644 4 HB3 LEU 16 HB3 LEU 16 109.456 10.521 9.182 5 HG LEU 16 HG LEU 16 107.292 9.778 7.756 6 HD11 LEU 16 HD11 LEU 16 106.924 12.734 8.225 7 HD12 LEU 16 HD12 LEU 16 106.414 11.998 6.708 8 HD13 LEU 16 HD13 LEU 16 105.723 11.448 8.235 9 HD21 LEU 16 HD21 LEU 16 109.487 11.715 7.103 10 HD22 LEU 16 HD22 LEU 16 109.310 10.023 6.681 11 HD23 LEU 16 HD23 LEU 16 108.315 11.230 5.879 No H/Q in entry = 11 In of MODEL 14 1 H THR 17 H THR 17 107.889 11.372 12.317 2 HA THR 17 HA THR 17 110.315 10.470 13.437 3 HB THR 17 HB THR 17 108.015 11.658 14.975 4 HG1 THR 17 HG1 THR 17 108.689 13.613 14.302 5 HG21 THR 17 HG21 THR 17 111.006 11.736 15.344 6 HG22 THR 17 HG22 THR 17 109.819 12.560 16.358 7 HG23 THR 17 HG23 THR 17 109.858 10.801 16.302 No H/Q in entry = 7 In of MODEL 14 1 H GLU 18 H GLU 18 106.944 9.625 14.018 2 HA GLU 18 HA GLU 18 107.514 7.770 16.066 3 HB2 GLU 18 HB2 GLU 18 105.383 8.938 15.982 4 HB3 GLU 18 HB3 GLU 18 105.027 8.182 14.436 5 HG2 GLU 18 HG2 GLU 18 105.007 5.982 15.461 6 HG3 GLU 18 HG3 GLU 18 105.501 6.660 17.008 No H/Q in entry = 6 In of MODEL 14 1 H ASN 19 H ASN 19 106.720 7.463 12.630 2 HA ASN 19 HA ASN 19 106.525 4.684 12.451 3 HB2 ASN 19 HB2 ASN 19 105.969 5.696 10.443 4 HB3 ASN 19 HB3 ASN 19 107.199 6.914 10.646 5 HD21 ASN 19 HD21 ASN 19 106.557 3.881 9.163 6 HD22 ASN 19 HD22 ASN 19 108.066 3.695 8.436 No H/Q in entry = 6 In of MODEL 14 1 H LYS 20 H LYS 20 109.361 6.710 11.955 2 HA LYS 20 HA LYS 20 111.075 4.587 11.375 3 HB2 LYS 20 HB2 LYS 20 112.923 6.108 11.873 4 HB3 LYS 20 HB3 LYS 20 111.675 6.944 10.959 5 HG2 LYS 20 HG2 LYS 20 110.751 7.762 13.142 6 HG3 LYS 20 HG3 LYS 20 112.145 7.047 13.939 7 HD2 LYS 20 HD2 LYS 20 112.370 9.087 11.708 8 HD3 LYS 20 HD3 LYS 20 112.380 9.519 13.419 9 HE2 LYS 20 HE2 LYS 20 114.311 7.553 13.373 10 HE3 LYS 20 HE3 LYS 20 114.523 8.299 11.791 11 HZ1 LYS 20 HZ1 LYS 20 114.150 10.119 14.016 12 HZ2 LYS 20 HZ2 LYS 20 115.611 9.260 13.995 13 HZ3 LYS 20 HZ3 LYS 20 115.185 10.237 12.673 No H/Q in entry = 13 In of MODEL 14 1 H ASN 21 H ASN 21 109.861 5.820 14.356 2 HA ASN 21 HA ASN 21 111.725 4.365 16.036 3 HB2 ASN 21 HB2 ASN 21 109.378 6.162 16.512 4 HB3 ASN 21 HB3 ASN 21 109.980 5.156 17.824 5 HD21 ASN 21 HD21 ASN 21 110.627 8.023 15.934 6 HD22 ASN 21 HD22 ASN 21 112.079 8.433 16.709 No H/Q in entry = 6 In of MODEL 14 1 H LYS 22 H LYS 22 108.533 3.858 14.715 2 HA LYS 22 HA LYS 22 107.644 1.914 16.448 3 HB2 LYS 22 HB2 LYS 22 107.117 2.582 13.616 4 HB3 LYS 22 HB3 LYS 22 106.424 1.107 14.248 5 HG2 LYS 22 HG2 LYS 22 105.715 2.914 16.217 6 HG3 LYS 22 HG3 LYS 22 105.727 3.942 14.798 7 HD2 LYS 22 HD2 LYS 22 104.235 1.313 14.908 8 HD3 LYS 22 HD3 LYS 22 103.491 2.869 15.272 9 HE2 LYS 22 HE2 LYS 22 103.905 3.688 13.064 10 HE3 LYS 22 HE3 LYS 22 104.968 2.328 12.696 11 HZ1 LYS 22 HZ1 LYS 22 102.502 1.301 13.512 12 HZ2 LYS 22 HZ2 LYS 22 102.193 2.499 12.347 13 HZ3 LYS 22 HZ3 LYS 22 103.224 1.203 11.977 No H/Q in entry = 13 In of MODEL 14 1 HA PRO 23 HA PRO 23 110.483 -1.515 15.797 2 HB2 PRO 23 HB2 PRO 23 108.132 -3.296 16.246 3 HB3 PRO 23 HB3 PRO 23 109.705 -3.278 17.063 4 HG2 PRO 23 HG2 PRO 23 107.510 -2.336 18.248 5 HG3 PRO 23 HG3 PRO 23 109.099 -1.584 18.485 6 HD2 PRO 23 HD2 PRO 23 106.789 -0.618 16.839 7 HD3 PRO 23 HD3 PRO 23 107.996 0.297 17.770 No H/Q in entry = 7 In of MODEL 14 1 H GLY 24 H GLY 24 111.063 -2.993 14.246 2 HA2 GLY 24 HA2 GLY 24 109.227 -3.984 12.251 3 HA3 GLY 24 HA3 GLY 24 110.947 -4.331 12.346 No H/Q in entry = 3 In of MODEL 14 1 H VAL 25 H VAL 25 110.027 -1.047 12.525 2 HA VAL 25 HA VAL 25 110.150 -0.562 9.663 3 HB VAL 25 HB VAL 25 110.117 1.409 11.959 No H/Q in entry = 3 In of MODEL 14 1 H VAL 26 H VAL 26 111.840 0.214 8.558 2 HA VAL 26 HA VAL 26 114.322 0.989 10.015 3 HB VAL 26 HB VAL 26 114.083 -0.514 7.393 No H/Q in entry = 3 In of MODEL 14 1 H VAL 27 H VAL 27 114.796 3.071 9.703 2 HA VAL 27 HA VAL 27 113.445 4.494 7.553 3 HB VAL 27 HB VAL 27 113.292 5.462 9.787 No H/Q in entry = 3 In of MODEL 14 1 H LEU 28 H LEU 28 114.374 5.788 6.068 2 HA LEU 28 HA LEU 28 117.243 5.232 5.559 3 HB2 LEU 28 HB2 LEU 28 115.034 5.798 3.590 4 HB3 LEU 28 HB3 LEU 28 116.695 5.485 3.161 5 HG LEU 28 HG LEU 28 115.029 3.515 4.729 6 HD11 LEU 28 HD11 LEU 28 114.108 4.016 2.451 7 HD12 LEU 28 HD12 LEU 28 115.646 3.524 1.766 8 HD13 LEU 28 HD13 LEU 28 114.652 2.365 2.630 9 HD21 LEU 28 HD21 LEU 28 117.710 3.425 3.328 10 HD22 LEU 28 HD22 LEU 28 117.357 3.047 5.018 11 HD23 LEU 28 HD23 LEU 28 116.812 1.965 3.739 No H/Q in entry = 11 In of MODEL 14 1 HA PRO 29 HA PRO 29 118.168 9.496 5.604 2 HB2 PRO 29 HB2 PRO 29 119.350 9.407 2.885 3 HB3 PRO 29 HB3 PRO 29 120.099 9.887 4.418 4 HG2 PRO 29 HG2 PRO 29 120.689 7.567 3.287 5 HG3 PRO 29 HG3 PRO 29 120.515 7.698 5.049 6 HD2 PRO 29 HD2 PRO 29 118.575 6.621 3.040 7 HD3 PRO 29 HD3 PRO 29 119.003 5.978 4.634 No H/Q in entry = 7 In of MODEL 14 1 H SER 30 H SER 30 116.689 8.326 2.642 2 HA SER 30 HA SER 30 115.830 10.876 1.673 3 HB2 SER 30 HB2 SER 30 114.414 8.281 1.101 4 HB3 SER 30 HB3 SER 30 114.610 9.687 0.056 5 HG SER 30 HG SER 30 116.989 8.679 0.891 No H/Q in entry = 5 In of MODEL 14 1 H GLY 31 H GLY 31 114.913 8.986 4.290 2 HA2 GLY 31 HA2 GLY 31 112.564 10.667 4.768 3 HA3 GLY 31 HA3 GLY 31 113.407 9.683 5.961 No H/Q in entry = 3 In of MODEL 14 1 H LEU 32 H LEU 32 113.199 7.858 3.232 2 HA LEU 32 HA LEU 32 110.478 6.983 3.516 3 HB2 LEU 32 HB2 LEU 32 111.627 6.929 1.304 4 HB3 LEU 32 HB3 LEU 32 112.743 5.743 1.918 5 HG LEU 32 HG LEU 32 110.758 4.944 0.468 6 HD11 LEU 32 HD11 LEU 32 111.359 3.583 3.075 7 HD12 LEU 32 HD12 LEU 32 110.432 2.874 1.773 8 HD13 LEU 32 HD13 LEU 32 112.107 3.322 1.514 9 HD21 LEU 32 HD21 LEU 32 109.072 6.246 1.689 10 HD22 LEU 32 HD22 LEU 32 108.656 4.555 1.559 11 HD23 LEU 32 HD23 LEU 32 109.253 5.186 3.070 No H/Q in entry = 11 In of MODEL 14 1 H GLN 33 H GLN 33 109.780 5.286 4.687 2 HA GLN 33 HA GLN 33 111.783 3.624 6.094 3 HB2 GLN 33 HB2 GLN 33 109.144 4.661 7.131 4 HB3 GLN 33 HB3 GLN 33 110.279 3.645 7.995 5 HG2 GLN 33 HG2 GLN 33 111.275 5.544 8.723 6 HG3 GLN 33 HG3 GLN 33 111.851 5.749 7.081 7 HE21 GLN 33 HE21 GLN 33 111.347 7.898 8.850 8 HE22 GLN 33 HE22 GLN 33 110.111 8.791 8.120 No H/Q in entry = 8 In of MODEL 14 1 H TYR 34 H TYR 34 111.317 1.470 6.343 2 HA TYR 34 HA TYR 34 108.776 0.484 5.286 3 HB2 TYR 34 HB2 TYR 34 109.848 -1.241 3.964 4 HB3 TYR 34 HB3 TYR 34 110.330 0.347 3.389 5 HD1 TYR 34 HD1 TYR 34 111.364 -2.503 5.500 6 HD2 TYR 34 HD2 TYR 34 112.630 1.044 3.457 7 HE1 TYR 34 HE1 TYR 34 113.732 -3.111 5.932 8 HE2 TYR 34 HE2 TYR 34 115.003 0.441 3.884 9 HH TYR 34 HH TYR 34 116.012 -2.547 4.743 No H/Q in entry = 9 In of MODEL 14 1 H LYS 35 H LYS 35 108.118 -1.466 5.987 2 HA LYS 35 HA LYS 35 109.675 -2.700 8.140 3 HB2 LYS 35 HB2 LYS 35 108.005 -1.170 9.075 4 HB3 LYS 35 HB3 LYS 35 106.721 -2.027 8.260 5 HG2 LYS 35 HG2 LYS 35 108.527 -3.710 9.860 6 HG3 LYS 35 HG3 LYS 35 107.617 -2.558 10.809 7 HD2 LYS 35 HD2 LYS 35 105.535 -3.387 9.744 8 HD3 LYS 35 HD3 LYS 35 106.482 -4.608 8.893 9 HE2 LYS 35 HE2 LYS 35 105.523 -5.570 10.924 10 HE3 LYS 35 HE3 LYS 35 107.270 -5.474 11.080 11 HZ1 LYS 35 HZ1 LYS 35 105.555 -3.278 12.027 12 HZ2 LYS 35 HZ2 LYS 35 105.817 -4.641 13.005 13 HZ3 LYS 35 HZ3 LYS 35 107.128 -3.679 12.513 No H/Q in entry = 13 In of MODEL 14 1 H VAL 36 H VAL 36 109.663 -4.823 8.087 2 HA VAL 36 HA VAL 36 108.219 -6.075 5.854 3 HB VAL 36 HB VAL 36 110.534 -6.572 5.916 No H/Q in entry = 3 In of MODEL 14 1 H ILE 37 H ILE 37 106.210 -6.531 6.303 2 HA ILE 37 HA ILE 37 105.253 -7.383 8.852 3 HB ILE 37 HB ILE 37 103.863 -7.922 6.218 4 HD11 ILE 37 HD11 ILE 37 104.343 -5.459 8.868 5 HD12 ILE 37 HD12 ILE 37 104.201 -4.031 7.883 6 HD13 ILE 37 HD13 ILE 37 102.763 -4.899 8.393 No H/Q in entry = 6 In of MODEL 14 1 H ASN 38 H ASN 38 106.136 -8.983 5.866 2 HA ASN 38 HA ASN 38 106.365 -11.542 7.289 3 HB2 ASN 38 HB2 ASN 38 104.873 -11.092 4.716 4 HB3 ASN 38 HB3 ASN 38 105.244 -12.662 5.377 5 HD21 ASN 38 HD21 ASN 38 103.391 -9.682 6.034 6 HD22 ASN 38 HD22 ASN 38 102.305 -10.410 7.114 No H/Q in entry = 6 In of MODEL 14 1 H SER 39 H SER 39 108.271 -12.464 6.796 2 HA SER 39 HA SER 39 109.896 -11.360 4.640 3 HB2 SER 39 HB2 SER 39 111.695 -12.543 5.570 4 HB3 SER 39 HB3 SER 39 110.796 -11.909 6.944 5 HG SER 39 HG SER 39 110.537 -14.517 5.837 No H/Q in entry = 5 In of MODEL 14 1 H GLY 40 H GLY 40 109.977 -12.220 2.690 2 HA2 GLY 40 HA2 GLY 40 108.902 -13.709 1.091 3 HA3 GLY 40 HA3 GLY 40 109.079 -15.001 2.273 No H/Q in entry = 3 In of MODEL 14 1 H ASN 41 H ASN 41 111.489 -12.556 1.633 2 HA ASN 41 HA ASN 41 113.620 -12.656 0.801 3 HB2 ASN 41 HB2 ASN 41 113.379 -15.547 1.617 4 HB3 ASN 41 HB3 ASN 41 114.879 -14.666 1.340 5 HD21 ASN 41 HD21 ASN 41 112.670 -12.500 2.699 6 HD22 ASN 41 HD22 ASN 41 113.132 -12.665 4.327 No H/Q in entry = 6 In of MODEL 14 1 H GLY 42 H GLY 42 111.387 -13.118 -1.026 2 HA2 GLY 42 HA2 GLY 42 110.883 -14.159 -3.055 3 HA3 GLY 42 HA3 GLY 42 112.365 -15.093 -2.939 No H/Q in entry = 3 In of MODEL 14 1 H VAL 43 H VAL 43 111.566 -13.930 -5.223 2 HA VAL 43 HA VAL 43 113.799 -12.324 -5.965 3 HB VAL 43 HB VAL 43 112.761 -12.286 -8.175 No H/Q in entry = 3 In of MODEL 14 1 H LYS 44 H LYS 44 113.048 -10.328 -7.436 2 HA LYS 44 HA LYS 44 110.929 -8.723 -6.743 3 HB2 LYS 44 HB2 LYS 44 111.688 -7.147 -5.131 4 HB3 LYS 44 HB3 LYS 44 111.967 -8.713 -4.450 5 HG2 LYS 44 HG2 LYS 44 114.240 -7.484 -5.967 6 HG3 LYS 44 HG3 LYS 44 113.834 -6.787 -4.417 7 HD2 LYS 44 HD2 LYS 44 114.050 -9.771 -4.538 8 HD3 LYS 44 HD3 LYS 44 115.549 -8.851 -4.633 9 HE2 LYS 44 HE2 LYS 44 115.225 -7.903 -2.484 10 HE3 LYS 44 HE3 LYS 44 113.515 -8.296 -2.461 11 HZ1 LYS 44 HZ1 LYS 44 115.182 -10.590 -2.830 12 HZ2 LYS 44 HZ2 LYS 44 115.526 -9.773 -1.380 13 HZ3 LYS 44 HZ3 LYS 44 113.954 -10.315 -1.692 No H/Q in entry = 13 In of MODEL 14 1 HA PRO 45 HA PRO 45 112.812 -6.612 -10.066 2 HB2 PRO 45 HB2 PRO 45 111.224 -4.422 -10.242 3 HB3 PRO 45 HB3 PRO 45 110.648 -6.053 -10.592 4 HG2 PRO 45 HG2 PRO 45 110.089 -4.319 -8.279 5 HG3 PRO 45 HG3 PRO 45 109.180 -5.680 -8.923 6 HD2 PRO 45 HD2 PRO 45 110.946 -5.688 -6.666 7 HD3 PRO 45 HD3 PRO 45 109.988 -7.041 -7.330 No H/Q in entry = 7 In of MODEL 14 1 H GLY 46 H GLY 46 114.100 -4.968 -10.816 2 HA2 GLY 46 HA2 GLY 46 115.902 -3.510 -10.500 3 HA3 GLY 46 HA3 GLY 46 115.452 -3.357 -8.800 No H/Q in entry = 3 In of MODEL 14 1 H LYS 47 H LYS 47 115.981 -1.076 -9.748 2 HA LYS 47 HA LYS 47 113.672 0.427 -9.586 3 HB2 LYS 47 HB2 LYS 47 114.965 2.323 -10.149 4 HB3 LYS 47 HB3 LYS 47 115.999 1.268 -9.213 5 HG2 LYS 47 HG2 LYS 47 116.193 0.734 -12.086 6 HG3 LYS 47 HG3 LYS 47 116.543 2.400 -11.747 7 HD2 LYS 47 HD2 LYS 47 118.622 1.315 -11.619 8 HD3 LYS 47 HD3 LYS 47 118.164 1.556 -9.941 9 HE2 LYS 47 HE2 LYS 47 117.363 -1.009 -11.234 10 HE3 LYS 47 HE3 LYS 47 119.066 -0.795 -10.889 11 HZ1 LYS 47 HZ1 LYS 47 117.494 0.043 -8.685 12 HZ2 LYS 47 HZ2 LYS 47 117.103 -1.551 -9.115 13 HZ3 LYS 47 HZ3 LYS 47 118.711 -1.139 -8.757 No H/Q in entry = 13 In of MODEL 14 1 H SER 48 H SER 48 114.991 -1.247 -12.247 2 HA SER 48 HA SER 48 113.249 0.250 -14.119 3 HB2 SER 48 HB2 SER 48 115.722 -1.408 -14.507 4 HB3 SER 48 HB3 SER 48 114.680 -0.971 -15.858 5 HG SER 48 HG SER 48 116.331 0.603 -14.266 No H/Q in entry = 5 In of MODEL 14 1 H ASP 49 H ASP 49 113.321 -2.756 -12.461 2 HA ASP 49 HA ASP 49 111.904 -4.184 -14.619 3 HB2 ASP 49 HB2 ASP 49 112.656 -4.997 -11.831 4 HB3 ASP 49 HB3 ASP 49 111.669 -5.989 -12.878 No H/Q in entry = 4 In of MODEL 14 1 H THR 50 H THR 50 109.771 -5.234 -14.081 2 HA THR 50 HA THR 50 108.056 -3.246 -12.753 3 HB THR 50 HB THR 50 107.108 -5.351 -14.650 4 HG1 THR 50 HG1 THR 50 107.211 -3.142 -15.930 5 HG21 THR 50 HG21 THR 50 106.003 -2.747 -13.673 6 HG22 THR 50 HG22 THR 50 105.384 -3.591 -15.089 7 HG23 THR 50 HG23 THR 50 105.316 -4.376 -13.510 No H/Q in entry = 7 In of MODEL 14 1 H VAL 51 H VAL 51 106.394 -3.844 -11.404 2 HA VAL 51 HA VAL 51 106.751 -6.491 -10.118 3 HB VAL 51 HB VAL 51 107.724 -4.442 -8.957 No H/Q in entry = 3 In of MODEL 14 1 H THR 52 H THR 52 104.936 -7.316 -8.917 2 HA THR 52 HA THR 52 102.320 -6.113 -9.691 3 HB THR 52 HB THR 52 103.048 -9.053 -9.501 4 HG1 THR 52 HG1 THR 52 103.321 -7.340 -11.446 5 HG21 THR 52 HG21 THR 52 100.466 -7.570 -9.860 6 HG22 THR 52 HG22 THR 52 100.680 -9.183 -10.533 7 HG23 THR 52 HG23 THR 52 100.833 -8.944 -8.808 No H/Q in entry = 7 In of MODEL 14 1 H VAL 53 H VAL 53 101.276 -5.441 -7.857 2 HA VAL 53 HA VAL 53 101.609 -7.001 -5.350 3 HB VAL 53 HB VAL 53 102.237 -4.986 -4.149 No H/Q in entry = 3 In of MODEL 14 1 H GLU 54 H GLU 54 100.196 -6.325 -3.578 2 HA GLU 54 HA GLU 54 97.781 -4.775 -4.425 3 HB2 GLU 54 HB2 GLU 54 97.660 -6.814 -2.177 4 HB3 GLU 54 HB3 GLU 54 96.366 -6.045 -3.075 5 HG2 GLU 54 HG2 GLU 54 96.453 -7.497 -4.814 6 HG3 GLU 54 HG3 GLU 54 98.173 -7.758 -4.683 No H/Q in entry = 6 In of MODEL 14 1 H TYR 55 H TYR 55 96.967 -3.308 -2.670 2 HA TYR 55 HA TYR 55 98.568 -3.149 -0.269 3 HB2 TYR 55 HB2 TYR 55 99.440 -0.878 -0.865 4 HB3 TYR 55 HB3 TYR 55 100.073 -2.173 -1.887 5 HD1 TYR 55 HD1 TYR 55 97.534 0.529 -1.705 6 HD2 TYR 55 HD2 TYR 55 99.554 -2.255 -4.246 7 HE1 TYR 55 HE1 TYR 55 96.493 1.609 -3.674 8 HE2 TYR 55 HE2 TYR 55 98.537 -1.169 -6.228 9 HH TYR 55 HH TYR 55 96.926 1.839 -6.069 No H/Q in entry = 9 In of MODEL 14 1 H THR 56 H THR 56 98.006 -1.402 1.187 2 HA THR 56 HA THR 56 95.462 -0.074 0.607 3 HB THR 56 HB THR 56 96.141 -1.544 3.101 4 HG1 THR 56 HG1 THR 56 94.269 -2.470 2.688 5 HG21 THR 56 HG21 THR 56 94.259 0.818 2.848 6 HG22 THR 56 HG22 THR 56 94.243 -0.313 4.200 7 HG23 THR 56 HG23 THR 56 95.651 0.701 3.912 No H/Q in entry = 7 In of MODEL 14 1 H GLY 57 H GLY 57 95.478 2.069 0.758 2 HA2 GLY 57 HA2 GLY 57 97.021 3.970 0.641 3 HA3 GLY 57 HA3 GLY 57 97.895 3.270 1.992 No H/Q in entry = 3 In of MODEL 14 1 H ARG 58 H ARG 58 97.722 4.826 3.536 2 HA ARG 58 HA ARG 58 95.148 6.069 3.991 3 HB2 ARG 58 HB2 ARG 58 94.782 5.333 6.140 4 HB3 ARG 58 HB3 ARG 58 95.373 3.879 5.349 5 HG2 ARG 58 HG2 ARG 58 97.543 4.085 6.336 6 HG3 ARG 58 HG3 ARG 58 97.234 5.722 6.897 7 HD2 ARG 58 HD2 ARG 58 96.920 4.490 8.832 8 HD3 ARG 58 HD3 ARG 58 95.280 4.616 8.225 9 HE ARG 58 HE ARG 58 96.611 2.271 7.243 10 HH11 ARG 58 HH11 ARG 58 94.812 3.671 9.858 11 HH12 ARG 58 HH12 ARG 58 94.415 2.141 10.568 12 HH21 ARG 58 HH21 ARG 58 96.104 0.278 8.192 13 HH22 ARG 58 HH22 ARG 58 95.160 0.231 9.644 No H/Q in entry = 13 In of MODEL 14 1 H LEU 59 H LEU 59 95.180 7.702 5.664 2 HA LEU 59 HA LEU 59 97.485 9.442 5.363 3 HB2 LEU 59 HB2 LEU 59 94.696 9.640 6.258 4 HB3 LEU 59 HB3 LEU 59 95.770 10.699 7.139 5 HG LEU 59 HG LEU 59 96.604 11.425 4.766 6 HD11 LEU 59 HD11 LEU 59 93.924 10.210 4.123 7 HD12 LEU 59 HD12 LEU 59 94.788 11.298 3.079 8 HD13 LEU 59 HD13 LEU 59 95.459 9.729 3.469 9 HD21 LEU 59 HD21 LEU 59 95.163 12.755 6.422 10 HD22 LEU 59 HD22 LEU 59 95.062 13.209 4.729 11 HD23 LEU 59 HD23 LEU 59 93.786 12.257 5.454 No H/Q in entry = 11 In of MODEL 14 1 H ILE 60 H ILE 60 98.395 10.524 7.240 2 HA ILE 60 HA ILE 60 99.450 8.746 9.156 3 HB ILE 60 HB ILE 60 100.427 10.631 10.183 4 HD11 ILE 60 HD11 ILE 60 98.876 12.774 7.560 5 HD12 ILE 60 HD12 ILE 60 97.478 11.911 8.200 6 HD13 ILE 60 HD13 ILE 60 97.755 13.571 8.667 No H/Q in entry = 6 In of MODEL 14 1 H ASP 61 H ASP 61 96.615 10.624 9.032 2 HA ASP 61 HA ASP 61 96.022 10.387 11.880 3 HB2 ASP 61 HB2 ASP 61 95.687 12.496 10.501 4 HB3 ASP 61 HB3 ASP 61 94.307 11.680 9.764 No H/Q in entry = 4 In of MODEL 14 1 H GLY 62 H GLY 62 95.790 8.285 9.483 2 HA2 GLY 62 HA2 GLY 62 93.521 6.930 10.725 3 HA3 GLY 62 HA3 GLY 62 94.678 6.236 9.625 No H/Q in entry = 3 In of MODEL 14 1 H THR 63 H THR 63 93.553 9.164 8.345 2 HA THR 63 HA THR 63 91.050 8.254 7.299 3 HB THR 63 HB THR 63 92.739 10.361 5.977 4 HG1 THR 63 HG1 THR 63 92.729 11.213 7.911 5 HG21 THR 63 HG21 THR 63 90.552 9.499 5.015 6 HG22 THR 63 HG22 THR 63 89.774 10.235 6.405 7 HG23 THR 63 HG23 THR 63 90.658 11.241 5.263 No H/Q in entry = 7 In of MODEL 14 1 H VAL 64 H VAL 64 90.971 6.456 6.126 2 HA VAL 64 HA VAL 64 93.056 5.723 4.282 3 HB VAL 64 HB VAL 64 90.352 4.486 4.752 No H/Q in entry = 3 In of MODEL 14 1 H PHE 65 H PHE 65 93.350 6.501 2.396 2 HA PHE 65 HA PHE 65 91.051 7.741 1.026 3 HB2 PHE 65 HB2 PHE 65 92.637 9.122 -0.142 4 HB3 PHE 65 HB3 PHE 65 92.954 9.179 1.585 5 HD1 PHE 65 HD1 PHE 65 94.766 7.727 2.549 6 HD2 PHE 65 HD2 PHE 65 94.387 8.459 -1.656 7 HE1 PHE 65 HE1 PHE 65 97.167 7.157 2.230 8 HE2 PHE 65 HE2 PHE 65 96.790 7.925 -1.946 9 HZ PHE 65 HZ PHE 65 98.157 7.272 -0.021 No H/Q in entry = 9 In of MODEL 14 1 H ASP 66 H ASP 66 93.271 5.144 0.807 2 HA ASP 66 HA ASP 66 91.948 4.259 -1.621 3 HB2 ASP 66 HB2 ASP 66 93.880 5.735 -2.312 4 HB3 ASP 66 HB3 ASP 66 94.945 4.506 -1.643 No H/Q in entry = 4 In of MODEL 14 1 H SER 67 H SER 67 92.339 2.093 -2.168 2 HA SER 67 HA SER 67 94.007 0.491 -0.510 3 HB2 SER 67 HB2 SER 67 92.310 -0.890 0.485 4 HB3 SER 67 HB3 SER 67 92.048 0.789 0.960 5 HG SER 67 HG SER 67 90.482 -0.895 -0.512 No H/Q in entry = 5 In of MODEL 14 1 H THR 68 H THR 68 94.056 -1.777 -1.088 2 HA THR 68 HA THR 68 92.801 -2.538 -3.608 3 HB THR 68 HB THR 68 95.805 -2.324 -3.387 4 HG1 THR 68 HG1 THR 68 94.555 -1.027 -5.415 5 HG21 THR 68 HG21 THR 68 93.962 -3.441 -5.486 6 HG22 THR 68 HG22 THR 68 95.588 -2.894 -5.864 7 HG23 THR 68 HG23 THR 68 95.354 -4.211 -4.727 No H/Q in entry = 7 In of MODEL 14 1 H GLU 69 H GLU 69 95.103 -3.234 -1.028 2 HA GLU 69 HA GLU 69 95.171 -6.037 -1.456 3 HB2 GLU 69 HB2 GLU 69 96.138 -6.176 0.758 4 HB3 GLU 69 HB3 GLU 69 96.899 -4.931 -0.221 5 HG2 GLU 69 HG2 GLU 69 96.614 -3.877 1.831 6 HG3 GLU 69 HG3 GLU 69 95.293 -3.313 0.826 No H/Q in entry = 6 In of MODEL 14 1 H LYS 70 H LYS 70 92.992 -3.821 -0.049 2 HA LYS 70 HA LYS 70 91.474 -5.525 1.576 3 HB2 LYS 70 HB2 LYS 70 90.747 -3.097 -0.058 4 HB3 LYS 70 HB3 LYS 70 89.610 -3.898 1.022 5 HG2 LYS 70 HG2 LYS 70 92.316 -2.868 1.881 6 HG3 LYS 70 HG3 LYS 70 90.837 -1.912 1.998 7 HD2 LYS 70 HD2 LYS 70 89.875 -3.959 3.308 8 HD3 LYS 70 HD3 LYS 70 91.552 -4.450 3.494 9 HE2 LYS 70 HE2 LYS 70 92.018 -2.792 4.997 10 HE3 LYS 70 HE3 LYS 70 90.973 -1.614 4.214 11 HZ1 LYS 70 HZ1 LYS 70 89.141 -3.281 5.051 12 HZ2 LYS 70 HZ2 LYS 70 90.324 -3.631 6.220 13 HZ3 LYS 70 HZ3 LYS 70 89.749 -2.045 6.043 No H/Q in entry = 13 In of MODEL 14 1 H THR 71 H THR 71 91.348 -4.647 -1.799 2 HA THR 71 HA THR 71 89.228 -6.454 -2.485 3 HB THR 71 HB THR 71 90.325 -5.913 -4.872 4 HG1 THR 71 HG1 THR 71 91.005 -3.516 -3.790 5 HG21 THR 71 HG21 THR 71 88.647 -4.137 -3.115 6 HG22 THR 71 HG22 THR 71 89.067 -3.647 -4.756 7 HG23 THR 71 HG23 THR 71 88.151 -5.130 -4.484 No H/Q in entry = 7 In of MODEL 14 1 H GLY 72 H GLY 72 92.735 -6.496 -2.390 2 HA2 GLY 72 HA2 GLY 72 92.758 -9.369 -2.489 3 HA3 GLY 72 HA3 GLY 72 94.150 -8.323 -2.236 No H/Q in entry = 3 In of MODEL 14 1 H LYS 73 H LYS 73 93.175 -6.805 -4.727 2 HA LYS 73 HA LYS 73 94.039 -8.753 -6.767 3 HB2 LYS 73 HB2 LYS 73 92.308 -6.317 -6.849 4 HB3 LYS 73 HB3 LYS 73 93.117 -6.834 -8.326 5 HG2 LYS 73 HG2 LYS 73 91.285 -8.148 -8.641 6 HG3 LYS 73 HG3 LYS 73 92.003 -9.226 -7.456 7 HD2 LYS 73 HD2 LYS 73 90.762 -8.057 -5.661 8 HD3 LYS 73 HD3 LYS 73 90.036 -6.999 -6.870 9 HE2 LYS 73 HE2 LYS 73 88.523 -8.823 -6.275 10 HE3 LYS 73 HE3 LYS 73 89.011 -8.951 -7.963 11 HZ1 LYS 73 HZ1 LYS 73 90.859 -10.329 -6.352 12 HZ2 LYS 73 HZ2 LYS 73 89.296 -10.846 -5.942 13 HZ3 LYS 73 HZ3 LYS 73 89.829 -10.949 -7.552 No H/Q in entry = 13 In of MODEL 14 1 HA PRO 74 HA PRO 74 97.886 -6.531 -6.605 2 HB2 PRO 74 HB2 PRO 74 98.538 -8.189 -8.983 3 HB3 PRO 74 HB3 PRO 74 99.429 -7.971 -7.468 4 HG2 PRO 74 HG2 PRO 74 98.104 -10.209 -7.951 5 HG3 PRO 74 HG3 PRO 74 98.129 -9.489 -6.338 6 HD2 PRO 74 HD2 PRO 74 95.982 -9.391 -8.407 7 HD3 PRO 74 HD3 PRO 74 95.893 -9.666 -6.659 No H/Q in entry = 7 In of MODEL 14 1 H ALA 75 H ALA 75 98.949 -4.988 -7.716 2 HA ALA 75 HA ALA 75 97.753 -3.997 -10.242 3 HB1 ALA 75 HB1 ALA 75 97.411 -2.625 -8.017 4 HB2 ALA 75 HB2 ALA 75 97.876 -1.791 -9.497 5 HB3 ALA 75 HB3 ALA 75 99.093 -2.160 -8.274 No H/Q in entry = 5 In of MODEL 14 1 H THR 76 H THR 76 99.311 -3.181 -11.785 2 HA THR 76 HA THR 76 102.050 -4.123 -11.233 3 HB THR 76 HB THR 76 101.259 -5.259 -13.083 4 HG1 THR 76 HG1 THR 76 103.206 -3.959 -13.470 5 HG21 THR 76 HG21 THR 76 99.968 -2.644 -13.889 6 HG22 THR 76 HG22 THR 76 99.992 -4.076 -14.913 7 HG23 THR 76 HG23 THR 76 99.154 -4.115 -13.371 No H/Q in entry = 7 In of MODEL 14 1 H PHE 77 H PHE 77 103.621 -2.747 -10.967 2 HA PHE 77 HA PHE 77 103.476 -0.096 -12.248 3 HB2 PHE 77 HB2 PHE 77 104.536 -0.634 -9.490 4 HB3 PHE 77 HB3 PHE 77 104.501 0.917 -10.270 5 HD1 PHE 77 HD1 PHE 77 102.956 -0.911 -7.869 6 HD2 PHE 77 HD2 PHE 77 101.957 1.406 -11.350 7 HE1 PHE 77 HE1 PHE 77 100.632 -0.633 -7.033 8 HE2 PHE 77 HE2 PHE 77 99.673 1.696 -10.514 9 HZ PHE 77 HZ PHE 77 98.986 0.679 -8.352 No H/Q in entry = 9 In of MODEL 14 1 H GLN 78 H GLN 78 105.420 0.738 -12.814 2 HA GLN 78 HA GLN 78 107.629 -1.169 -12.926 3 HB2 GLN 78 HB2 GLN 78 107.159 1.464 -14.299 4 HB3 GLN 78 HB3 GLN 78 108.711 0.648 -14.333 5 HG2 GLN 78 HG2 GLN 78 107.377 -1.403 -15.172 6 HG3 GLN 78 HG3 GLN 78 106.098 -0.257 -15.509 7 HE21 GLN 78 HE21 GLN 78 108.782 1.523 -15.872 8 HE22 GLN 78 HE22 GLN 78 109.121 1.276 -17.514 No H/Q in entry = 8 In of MODEL 14 1 H VAL 79 H VAL 79 109.296 -0.968 -11.530 2 HA VAL 79 HA VAL 79 108.961 0.605 -9.280 3 HB VAL 79 HB VAL 79 111.612 -0.386 -10.361 No H/Q in entry = 3 In of MODEL 14 1 H SER 80 H SER 80 110.529 1.347 -12.360 2 HA SER 80 HA SER 80 111.882 3.668 -11.404 3 HB2 SER 80 HB2 SER 80 112.890 2.980 -13.352 4 HB3 SER 80 HB3 SER 80 111.369 2.405 -14.033 5 HG SER 80 HG SER 80 112.558 4.577 -14.674 No H/Q in entry = 5 In of MODEL 14 1 H GLN 81 H GLN 81 108.677 3.055 -12.574 2 HA GLN 81 HA GLN 81 108.131 5.930 -12.892 3 HB2 GLN 81 HB2 GLN 81 106.290 3.663 -13.573 4 HB3 GLN 81 HB3 GLN 81 106.266 5.317 -14.168 5 HG2 GLN 81 HG2 GLN 81 108.418 3.290 -14.739 6 HG3 GLN 81 HG3 GLN 81 107.147 3.855 -15.851 7 HE21 GLN 81 HE21 GLN 81 110.221 4.173 -15.909 8 HE22 GLN 81 HE22 GLN 81 110.449 5.846 -16.099 No H/Q in entry = 8 In of MODEL 14 1 H VAL 82 H VAL 82 107.810 3.576 -10.472 2 HA VAL 82 HA VAL 82 105.226 4.409 -9.492 3 HB VAL 82 HB VAL 82 106.458 2.130 -9.300 No H/Q in entry = 3 In of MODEL 14 1 H ILE 83 H ILE 83 104.976 5.136 -7.146 2 HA ILE 83 HA ILE 83 106.011 7.686 -6.931 3 HB ILE 83 HB ILE 83 105.516 6.621 -4.240 4 HD11 ILE 83 HD11 ILE 83 103.244 5.945 -3.400 5 HD12 ILE 83 HD12 ILE 83 102.265 6.840 -4.565 6 HD13 ILE 83 HD13 ILE 83 102.167 5.090 -4.487 No H/Q in entry = 6 In of MODEL 14 1 HA PRO 84 HA PRO 84 110.292 7.271 -5.923 2 HB2 PRO 84 HB2 PRO 84 109.806 9.112 -3.619 3 HB3 PRO 84 HB3 PRO 84 111.044 9.209 -4.880 4 HG2 PRO 84 HG2 PRO 84 108.932 10.804 -4.933 5 HG3 PRO 84 HG3 PRO 84 109.564 10.096 -6.412 6 HD2 PRO 84 HD2 PRO 84 107.141 9.357 -4.897 7 HD3 PRO 84 HD3 PRO 84 107.405 9.321 -6.640 No H/Q in entry = 7 In of MODEL 14 1 H GLY 85 H GLY 85 108.177 7.392 -3.068 2 HA2 GLY 85 HA2 GLY 85 108.154 6.075 -1.185 3 HA3 GLY 85 HA3 GLY 85 109.899 6.083 -1.296 No H/Q in entry = 3 In of MODEL 14 1 H TRP 86 H TRP 86 107.395 4.834 -3.370 2 HA TRP 86 HA TRP 86 107.670 2.075 -2.724 3 HB2 TRP 86 HB2 TRP 86 106.338 3.751 -4.808 4 HB3 TRP 86 HB3 TRP 86 106.518 2.033 -5.146 5 HD1 TRP 86 HD1 TRP 86 105.159 4.188 -2.225 6 HE1 TRP 86 HE1 TRP 86 103.074 3.047 -1.311 7 HE3 TRP 86 HE3 TRP 86 105.138 0.196 -5.222 8 HZ2 TRP 86 HZ2 TRP 86 101.566 0.662 -1.837 9 HZ3 TRP 86 HZ3 TRP 86 103.378 -1.487 -5.046 10 HH2 TRP 86 HH2 TRP 86 101.558 -1.269 -3.374 No H/Q in entry = 10 In of MODEL 14 1 H THR 87 H THR 87 109.264 4.162 -5.080 2 HA THR 87 HA THR 87 110.296 2.358 -6.875 3 HB THR 87 HB THR 87 111.764 4.716 -5.695 4 HG1 THR 87 HG1 THR 87 109.716 5.317 -6.362 5 HG21 THR 87 HG21 THR 87 112.843 2.975 -7.420 6 HG22 THR 87 HG22 THR 87 111.902 3.921 -8.561 7 HG23 THR 87 HG23 THR 87 113.108 4.702 -7.577 No H/Q in entry = 7 In of MODEL 14 1 H GLU 88 H GLU 88 111.906 3.443 -3.877 2 HA GLU 88 HA GLU 88 114.054 1.586 -4.128 3 HB2 GLU 88 HB2 GLU 88 114.207 3.772 -2.968 4 HB3 GLU 88 HB3 GLU 88 113.187 3.125 -1.681 5 HG2 GLU 88 HG2 GLU 88 114.842 1.340 -1.258 6 HG3 GLU 88 HG3 GLU 88 115.853 1.976 -2.555 No H/Q in entry = 6 In of MODEL 14 1 H ALA 89 H ALA 89 111.097 1.576 -2.171 2 HA ALA 89 HA ALA 89 111.749 -0.547 -0.489 3 HB1 ALA 89 HB1 ALA 89 109.083 0.385 -1.510 4 HB2 ALA 89 HB2 ALA 89 109.875 0.842 -0.002 5 HB3 ALA 89 HB3 ALA 89 109.291 -0.804 -0.234 No H/Q in entry = 5 In of MODEL 14 1 H LEU 90 H LEU 90 110.070 -0.723 -3.643 2 HA LEU 90 HA LEU 90 109.366 -3.436 -3.533 3 HB2 LEU 90 HB2 LEU 90 110.186 -1.808 -5.949 4 HB3 LEU 90 HB3 LEU 90 109.286 -3.312 -5.990 5 HG LEU 90 HG LEU 90 108.311 -0.909 -4.451 6 HD11 LEU 90 HD11 LEU 90 107.842 -1.650 -7.327 7 HD12 LEU 90 HD12 LEU 90 106.871 -0.480 -6.467 8 HD13 LEU 90 HD13 LEU 90 108.580 -0.186 -6.725 9 HD21 LEU 90 HD21 LEU 90 107.060 -3.435 -5.470 10 HD22 LEU 90 HD22 LEU 90 107.156 -2.892 -3.818 11 HD23 LEU 90 HD23 LEU 90 106.106 -2.075 -4.964 No H/Q in entry = 11 In of MODEL 14 1 H GLN 91 H GLN 91 112.317 -1.870 -4.648 2 HA GLN 91 HA GLN 91 113.635 -4.148 -5.640 3 HB2 GLN 91 HB2 GLN 91 114.876 -1.689 -4.414 4 HB3 GLN 91 HB3 GLN 91 115.618 -2.784 -5.579 5 HG2 GLN 91 HG2 GLN 91 113.961 -2.158 -7.267 6 HG3 GLN 91 HG3 GLN 91 113.142 -1.121 -6.101 7 HE21 GLN 91 HE21 GLN 91 113.570 0.935 -7.037 8 HE22 GLN 91 HE22 GLN 91 115.134 1.544 -7.278 No H/Q in entry = 8 In of MODEL 14 1 H LEU 92 H LEU 92 113.096 -2.936 -2.449 2 HA LEU 92 HA LEU 92 115.153 -4.712 -1.299 3 HB2 LEU 92 HB2 LEU 92 113.428 -2.601 0.013 4 HB3 LEU 92 HB3 LEU 92 114.708 -3.520 0.800 5 HG LEU 92 HG LEU 92 115.114 -1.668 -1.557 6 HD11 LEU 92 HD11 LEU 92 115.674 -1.330 1.372 7 HD12 LEU 92 HD12 LEU 92 116.231 -0.240 0.101 8 HD13 LEU 92 HD13 LEU 92 114.507 -0.429 0.404 9 HD21 LEU 92 HD21 LEU 92 116.938 -3.416 0.051 10 HD22 LEU 92 HD22 LEU 92 116.862 -3.215 -1.696 11 HD23 LEU 92 HD23 LEU 92 117.547 -1.943 -0.696 No H/Q in entry = 11 In of MODEL 14 1 H MET 93 H MET 93 111.791 -4.633 -1.886 2 HA MET 93 HA MET 93 111.155 -6.390 0.352 3 HB2 MET 93 HB2 MET 93 109.529 -4.721 -0.178 4 HB3 MET 93 HB3 MET 93 109.492 -5.224 -1.867 5 HG2 MET 93 HG2 MET 93 108.455 -7.293 -1.336 6 HG3 MET 93 HG3 MET 93 108.816 -7.122 0.385 7 HE1 MET 93 HE1 MET 93 107.368 -5.721 -2.637 8 HE2 MET 93 HE2 MET 93 105.660 -5.910 -2.281 9 HE3 MET 93 HE3 MET 93 106.436 -4.331 -2.125 No H/Q in entry = 9 In of MODEL 14 1 HA PRO 94 HA PRO 94 112.102 -9.913 -2.486 2 HB2 PRO 94 HB2 PRO 94 111.450 -11.504 -0.095 3 HB3 PRO 94 HB3 PRO 94 112.916 -11.529 -1.099 4 HG2 PRO 94 HG2 PRO 94 112.925 -10.504 1.357 5 HG3 PRO 94 HG3 PRO 94 113.869 -9.768 0.045 6 HD2 PRO 94 HD2 PRO 94 111.243 -8.904 1.174 7 HD3 PRO 94 HD3 PRO 94 112.636 -7.943 0.713 No H/Q in entry = 7 In of MODEL 14 1 H ALA 95 H ALA 95 110.811 -11.424 -3.580 2 HA ALA 95 HA ALA 95 108.041 -10.961 -3.546 3 HB1 ALA 95 HB1 ALA 95 109.660 -13.130 -4.815 4 HB2 ALA 95 HB2 ALA 95 107.901 -13.015 -4.982 5 HB3 ALA 95 HB3 ALA 95 108.927 -11.716 -5.578 No H/Q in entry = 5 In of MODEL 14 1 H GLY 96 H GLY 96 106.396 -11.796 -2.540 2 HA2 GLY 96 HA2 GLY 96 106.696 -14.291 -1.026 3 HA3 GLY 96 HA3 GLY 96 105.197 -13.420 -1.360 No H/Q in entry = 3 In of MODEL 14 1 H SER 97 H SER 97 107.762 -11.390 -0.512 2 HA SER 97 HA SER 97 107.213 -11.453 2.354 3 HB2 SER 97 HB2 SER 97 109.545 -11.205 1.319 4 HB3 SER 97 HB3 SER 97 109.060 -9.572 0.893 5 HG SER 97 HG SER 97 108.544 -10.338 3.495 No H/Q in entry = 5 In of MODEL 14 1 H THR 98 H THR 98 105.723 -10.231 3.253 2 HA THR 98 HA THR 98 104.550 -8.022 1.729 3 HB THR 98 HB THR 98 103.562 -9.295 4.293 4 HG1 THR 98 HG1 THR 98 102.676 -10.724 3.024 5 HG21 THR 98 HG21 THR 98 102.376 -7.331 2.310 6 HG22 THR 98 HG22 THR 98 101.465 -8.160 3.572 7 HG23 THR 98 HG23 THR 98 102.757 -7.049 4.007 No H/Q in entry = 7 In of MODEL 14 1 H TRP 99 H TRP 99 105.334 -6.094 2.045 2 HA TRP 99 HA TRP 99 106.372 -5.388 4.726 3 HB2 TRP 99 HB2 TRP 99 107.133 -4.359 1.993 4 HB3 TRP 99 HB3 TRP 99 107.652 -3.608 3.490 5 HD1 TRP 99 HD1 TRP 99 107.630 -7.400 3.589 6 HE1 TRP 99 HE1 TRP 99 110.012 -8.275 3.524 7 HE3 TRP 99 HE3 TRP 99 110.002 -3.047 2.456 8 HZ2 TRP 99 HZ2 TRP 99 112.655 -7.222 3.040 9 HZ3 TRP 99 HZ3 TRP 99 112.473 -3.005 2.209 10 HH2 TRP 99 HH2 TRP 99 113.801 -5.083 2.502 No H/Q in entry = 10 In of MODEL 14 1 H GLU 100 H GLU 100 106.303 -3.084 5.171 2 HA GLU 100 HA GLU 100 103.984 -1.657 4.061 3 HB2 GLU 100 HB2 GLU 100 104.710 -2.032 6.965 4 HB3 GLU 100 HB3 GLU 100 103.800 -0.625 6.432 5 HG2 GLU 100 HG2 GLU 100 102.054 -2.017 5.525 6 HG3 GLU 100 HG3 GLU 100 102.964 -3.474 5.871 No H/Q in entry = 6 In of MODEL 14 1 H ILE 101 H ILE 101 104.515 0.447 3.516 2 HA ILE 101 HA ILE 101 107.041 1.463 4.549 3 HB ILE 101 HB ILE 101 107.942 1.997 2.500 4 HD11 ILE 101 HD11 ILE 101 107.260 1.083 -0.213 5 HD12 ILE 101 HD12 ILE 101 106.418 2.516 -0.764 6 HD13 ILE 101 HD13 ILE 101 107.892 2.677 0.179 No H/Q in entry = 6 In of MODEL 14 1 H TYR 102 H TYR 102 107.141 3.491 5.047 2 HA TYR 102 HA TYR 102 104.622 5.028 4.928 3 HB2 TYR 102 HB2 TYR 102 106.996 5.316 6.782 4 HB3 TYR 102 HB3 TYR 102 105.457 6.129 6.946 5 HD1 TYR 102 HD1 TYR 102 106.511 2.524 6.414 6 HD2 TYR 102 HD2 TYR 102 104.195 5.264 8.744 7 HE1 TYR 102 HE1 TYR 102 105.686 0.662 7.734 8 HE2 TYR 102 HE2 TYR 102 103.362 3.377 10.107 9 HH TYR 102 HH TYR 102 103.084 0.709 9.592 No H/Q in entry = 9 In of MODEL 14 1 H VAL 103 H VAL 103 104.816 6.181 3.101 2 HA VAL 103 HA VAL 103 107.333 7.172 2.238 3 HB VAL 103 HB VAL 103 104.712 7.619 0.920 No H/Q in entry = 3 In of MODEL 14 1 HA PRO 104 HA PRO 104 106.826 11.252 4.118 2 HB2 PRO 104 HB2 PRO 104 108.940 11.819 2.078 3 HB3 PRO 104 HB3 PRO 104 108.922 12.221 3.804 4 HG2 PRO 104 HG2 PRO 104 110.422 10.214 2.819 5 HG3 PRO 104 HG3 PRO 104 109.717 10.148 4.423 6 HD2 PRO 104 HD2 PRO 104 108.959 8.659 2.005 7 HD3 PRO 104 HD3 PRO 104 108.673 8.263 3.717 No H/Q in entry = 7 In of MODEL 14 1 H SER 105 H SER 105 105.654 13.042 3.354 2 HA SER 105 HA SER 105 104.087 12.787 1.096 3 HB2 SER 105 HB2 SER 105 103.353 14.999 1.483 4 HB3 SER 105 HB3 SER 105 103.815 14.396 3.073 5 HG SER 105 HG SER 105 104.639 16.559 2.210 No H/Q in entry = 5 In of MODEL 14 1 H GLY 106 H GLY 106 107.352 14.034 1.365 2 HA2 GLY 106 HA2 GLY 106 108.796 14.924 -0.197 3 HA3 GLY 106 HA3 GLY 106 107.395 15.380 -1.162 No H/Q in entry = 3 In of MODEL 14 1 H LEU 107 H LEU 107 107.920 12.147 -0.011 2 HA LEU 107 HA LEU 107 108.905 11.254 -2.639 3 HB2 LEU 107 HB2 LEU 107 108.703 9.754 -0.018 4 HB3 LEU 107 HB3 LEU 107 109.465 9.163 -1.467 5 HG LEU 107 HG LEU 107 110.376 11.428 0.300 6 HD11 LEU 107 HD11 LEU 107 110.964 9.097 0.906 7 HD12 LEU 107 HD12 LEU 107 111.750 8.927 -0.654 8 HD13 LEU 107 HD13 LEU 107 112.374 10.075 0.520 9 HD21 LEU 107 HD21 LEU 107 111.134 10.791 -2.519 10 HD22 LEU 107 HD22 LEU 107 110.874 12.359 -1.782 11 HD23 LEU 107 HD23 LEU 107 112.341 11.459 -1.432 No H/Q in entry = 11 In of MODEL 14 1 H ALA 108 H ALA 108 105.946 11.699 -1.251 2 HA ALA 108 HA ALA 108 104.822 9.209 -2.354 3 HB1 ALA 108 HB1 ALA 108 103.484 11.125 -0.448 4 HB2 ALA 108 HB2 ALA 108 102.954 9.511 -0.895 5 HB3 ALA 108 HB3 ALA 108 104.393 9.735 0.060 No H/Q in entry = 5 In of MODEL 14 1 H TYR 109 H TYR 109 102.541 11.638 -1.706 2 HA TYR 109 HA TYR 109 102.084 11.987 -4.568 3 HB2 TYR 109 HB2 TYR 109 100.340 12.095 -2.142 4 HB3 TYR 109 HB3 TYR 109 99.804 12.866 -3.639 5 HD1 TYR 109 HD1 TYR 109 100.306 9.761 -1.911 6 HD2 TYR 109 HD2 TYR 109 99.823 11.450 -5.819 7 HE1 TYR 109 HE1 TYR 109 99.888 7.533 -2.811 8 HE2 TYR 109 HE2 TYR 109 99.432 9.201 -6.768 9 HH TYR 109 HH TYR 109 99.011 6.414 -4.664 No H/Q in entry = 9 In of MODEL 14 1 H GLY 110 H GLY 110 103.753 13.624 -2.332 2 HA2 GLY 110 HA2 GLY 110 103.196 16.208 -3.664 3 HA3 GLY 110 HA3 GLY 110 104.732 15.732 -2.963 No H/Q in entry = 3 In of MODEL 14 1 HA PRO 111 HA PRO 111 103.652 17.722 0.813 2 HB2 PRO 111 HB2 PRO 111 104.515 20.237 0.439 3 HB3 PRO 111 HB3 PRO 111 105.640 18.868 0.459 4 HG2 PRO 111 HG2 PRO 111 104.461 20.275 -1.898 5 HG3 PRO 111 HG3 PRO 111 106.151 19.825 -1.596 6 HD2 PRO 111 HD2 PRO 111 104.498 18.320 -3.151 7 HD3 PRO 111 HD3 PRO 111 105.790 17.602 -2.176 No H/Q in entry = 7 In of MODEL 14 1 H ARG 112 H ARG 112 102.134 18.641 -2.088 2 HA ARG 112 HA ARG 112 100.270 20.523 -0.790 3 HB2 ARG 112 HB2 ARG 112 100.639 19.704 -3.678 4 HB3 ARG 112 HB3 ARG 112 99.416 20.836 -3.113 5 HG2 ARG 112 HG2 ARG 112 101.218 22.299 -2.209 6 HG3 ARG 112 HG3 ARG 112 102.419 21.177 -2.856 7 HD2 ARG 112 HD2 ARG 112 101.555 21.527 -5.128 8 HD3 ARG 112 HD3 ARG 112 100.317 22.610 -4.501 9 HE ARG 112 HE ARG 112 101.956 24.266 -4.189 10 HH11 ARG 112 HH11 ARG 112 103.322 21.235 -5.180 11 HH12 ARG 112 HH12 ARG 112 104.870 21.909 -5.563 12 HH21 ARG 112 HH21 ARG 112 103.984 25.142 -4.693 13 HH22 ARG 112 HH22 ARG 112 105.241 24.116 -5.297 No H/Q in entry = 13 In of MODEL 14 1 H SER 113 H SER 113 97.918 20.209 -1.382 2 HA SER 113 HA SER 113 97.122 17.538 -0.711 3 HB2 SER 113 HB2 SER 113 95.318 19.724 -1.745 4 HB3 SER 113 HB3 SER 113 94.913 18.370 -0.696 5 HG SER 113 HG SER 113 95.447 19.575 0.908 No H/Q in entry = 5 In of MODEL 14 1 H VAL 114 H VAL 114 98.186 16.480 -2.538 2 HA VAL 114 HA VAL 114 96.931 16.861 -5.177 3 HB VAL 114 HB VAL 114 99.106 14.914 -4.412 No H/Q in entry = 3 In of MODEL 14 1 H GLY 115 H GLY 115 94.914 16.015 -3.741 2 HA2 GLY 115 HA2 GLY 115 94.814 13.214 -3.259 3 HA3 GLY 115 HA3 GLY 115 94.093 13.589 -4.816 No H/Q in entry = 3 In of MODEL 14 1 H GLY 116 H GLY 116 92.305 12.504 -3.393 2 HA2 GLY 116 HA2 GLY 116 90.214 12.716 -2.435 3 HA3 GLY 116 HA3 GLY 116 90.283 14.399 -2.911 No H/Q in entry = 3 In of MODEL 14 1 HA PRO 117 HA PRO 117 90.159 14.335 1.732 2 HB2 PRO 117 HB2 PRO 117 91.088 12.122 3.090 3 HB3 PRO 117 HB3 PRO 117 89.406 12.369 2.616 4 HG2 PRO 117 HG2 PRO 117 91.509 10.771 1.281 5 HG3 PRO 117 HG3 PRO 117 89.809 10.420 1.470 6 HD2 PRO 117 HD2 PRO 117 90.805 11.277 -0.861 7 HD3 PRO 117 HD3 PRO 117 89.190 11.770 -0.310 No H/Q in entry = 7 In of MODEL 14 1 H ILE 118 H ILE 118 92.876 13.223 0.058 2 HA ILE 118 HA ILE 118 94.887 13.715 2.019 3 HB ILE 118 HB ILE 118 95.136 13.966 -0.991 4 HD11 ILE 118 HD11 ILE 118 93.670 12.303 -1.483 5 HD12 ILE 118 HD12 ILE 118 94.139 10.635 -1.262 6 HD13 ILE 118 HD13 ILE 118 93.247 11.459 -0.006 No H/Q in entry = 6 In of MODEL 14 1 H GLY 119 H GLY 119 95.029 15.663 2.949 2 HA2 GLY 119 HA2 GLY 119 94.643 17.923 3.260 3 HA3 GLY 119 HA3 GLY 119 94.304 18.114 1.550 No H/Q in entry = 3 In of MODEL 14 1 HA PRO 120 HA PRO 120 98.339 19.875 1.206 2 HB2 PRO 120 HB2 PRO 120 98.745 21.695 3.244 3 HB3 PRO 120 HB3 PRO 120 97.771 22.026 1.809 4 HG2 PRO 120 HG2 PRO 120 96.878 21.163 4.517 5 HG3 PRO 120 HG3 PRO 120 96.181 22.375 3.450 6 HD2 PRO 120 HD2 PRO 120 95.111 19.933 3.708 7 HD3 PRO 120 HD3 PRO 120 95.115 20.766 2.144 No H/Q in entry = 7 In of MODEL 14 1 H ASN 121 H ASN 121 100.483 19.436 1.707 2 HA ASN 121 HA ASN 121 102.203 18.253 2.669 3 HB2 ASN 121 HB2 ASN 121 101.920 20.422 4.033 4 HB3 ASN 121 HB3 ASN 121 101.224 19.386 5.281 5 HD21 ASN 121 HD21 ASN 121 103.010 17.087 4.518 6 HD22 ASN 121 HD22 ASN 121 104.542 17.491 5.122 No H/Q in entry = 6 In of MODEL 14 1 H GLU 122 H GLU 122 100.432 16.387 2.222 2 HA GLU 122 HA GLU 122 99.902 14.960 4.759 3 HB2 GLU 122 HB2 GLU 122 98.808 14.728 1.973 4 HB3 GLU 122 HB3 GLU 122 98.586 13.431 3.146 5 HG2 GLU 122 HG2 GLU 122 97.789 16.300 3.624 6 HG3 GLU 122 HG3 GLU 122 96.703 15.045 3.057 No H/Q in entry = 6 In of MODEL 14 1 H THR 123 H THR 123 101.038 13.276 5.352 2 HA THR 123 HA THR 123 102.956 12.071 3.466 3 HB THR 123 HB THR 123 102.602 11.718 6.456 4 HG1 THR 123 HG1 THR 123 104.925 12.722 5.391 5 HG21 THR 123 HG21 THR 123 104.678 10.655 4.549 6 HG22 THR 123 HG22 THR 123 104.728 10.466 6.296 7 HG23 THR 123 HG23 THR 123 103.460 9.694 5.354 No H/Q in entry = 7 In of MODEL 14 1 H LEU 124 H LEU 124 102.475 10.161 2.532 2 HA LEU 124 HA LEU 124 100.085 8.693 3.522 3 HB2 LEU 124 HB2 LEU 124 101.370 8.641 0.776 4 HB3 LEU 124 HB3 LEU 124 99.957 7.735 1.256 5 HG LEU 124 HG LEU 124 98.995 9.570 0.146 6 HD11 LEU 124 HD11 LEU 124 98.144 9.398 2.512 7 HD12 LEU 124 HD12 LEU 124 99.216 10.744 2.881 8 HD13 LEU 124 HD13 LEU 124 97.925 10.960 1.722 9 HD21 LEU 124 HD21 LEU 124 101.197 10.743 -0.095 10 HD22 LEU 124 HD22 LEU 124 99.817 11.804 0.154 11 HD23 LEU 124 HD23 LEU 124 100.904 11.451 1.482 No H/Q in entry = 11 In of MODEL 14 1 H ILE 125 H ILE 125 100.107 6.506 3.727 2 HA ILE 125 HA ILE 125 102.703 5.098 3.610 3 HB ILE 125 HB ILE 125 102.319 5.391 5.952 4 HD11 ILE 125 HD11 ILE 125 102.088 3.891 7.711 5 HD12 ILE 125 HD12 ILE 125 100.827 2.695 7.495 6 HD13 ILE 125 HD13 ILE 125 102.515 2.233 7.358 No H/Q in entry = 6 In of MODEL 14 1 H PHE 126 H PHE 126 102.592 3.000 2.834 2 HA PHE 126 HA PHE 126 99.912 1.981 2.182 3 HB2 PHE 126 HB2 PHE 126 102.166 1.622 0.235 4 HB3 PHE 126 HB3 PHE 126 100.423 1.502 -0.041 5 HD1 PHE 126 HD1 PHE 126 99.182 3.394 -0.760 6 HD2 PHE 126 HD2 PHE 126 103.139 3.879 0.828 7 HE1 PHE 126 HE1 PHE 126 99.158 5.784 -1.423 8 HE2 PHE 126 HE2 PHE 126 103.107 6.251 0.159 9 HZ PHE 126 HZ PHE 126 101.138 7.204 -0.964 No H/Q in entry = 9 In of MODEL 14 1 H LYS 127 H LYS 127 99.734 -0.284 2.015 2 HA LYS 127 HA LYS 127 101.909 -1.740 3.313 3 HB2 LYS 127 HB2 LYS 127 99.453 -3.276 2.853 4 HB3 LYS 127 HB3 LYS 127 100.321 -2.998 4.345 5 HG2 LYS 127 HG2 LYS 127 98.401 -1.042 3.110 6 HG3 LYS 127 HG3 LYS 127 97.993 -2.164 4.397 7 HD2 LYS 127 HD2 LYS 127 99.850 -1.143 5.787 8 HD3 LYS 127 HD3 LYS 127 100.017 0.098 4.557 9 HE2 LYS 127 HE2 LYS 127 97.730 0.823 4.888 10 HE3 LYS 127 HE3 LYS 127 97.438 -0.496 6.021 11 HZ1 LYS 127 HZ1 LYS 127 99.643 1.395 6.498 12 HZ2 LYS 127 HZ2 LYS 127 98.053 1.840 6.902 13 HZ3 LYS 127 HZ3 LYS 127 98.764 0.473 7.618 No H/Q in entry = 13 In of MODEL 14 1 H ILE 128 H ILE 128 103.166 -2.973 2.008 2 HA ILE 128 HA ILE 128 102.003 -3.513 -0.685 3 HB ILE 128 HB ILE 128 104.963 -3.274 -0.226 4 HD11 ILE 128 HD11 ILE 128 105.037 -0.709 -2.023 5 HD12 ILE 128 HD12 ILE 128 104.827 0.492 -0.765 6 HD13 ILE 128 HD13 ILE 128 105.961 -0.825 -0.522 No H/Q in entry = 6 In of MODEL 14 1 H HIS 129 H HIS 129 101.586 -5.414 -1.118 2 HA HIS 129 HA HIS 129 103.052 -7.682 0.076 3 HB2 HIS 129 HB2 HIS 129 100.678 -7.713 0.610 4 HB3 HIS 129 HB3 HIS 129 100.265 -7.415 -1.071 5 HD2 HIS 129 HD2 HIS 129 102.888 -10.204 0.026 6 HE1 HIS 129 HE1 HIS 129 99.592 -12.009 -1.928 7 HE2 HIS 129 HE2 HIS 129 101.945 -12.402 -1.083 No H/Q in entry = 7 In of MODEL 14 1 H LEU 130 H LEU 130 104.439 -8.677 -1.332 2 HA LEU 130 HA LEU 130 104.113 -8.099 -4.171 3 HB2 LEU 130 HB2 LEU 130 106.335 -8.207 -2.563 4 HB3 LEU 130 HB3 LEU 130 106.383 -9.745 -3.374 5 HG LEU 130 HG LEU 130 106.143 -7.091 -4.749 6 HD11 LEU 130 HD11 LEU 130 108.379 -7.422 -3.774 7 HD12 LEU 130 HD12 LEU 130 108.494 -8.978 -4.569 8 HD13 LEU 130 HD13 LEU 130 108.456 -7.514 -5.529 9 HD21 LEU 130 HD21 LEU 130 105.064 -8.981 -5.982 10 HD22 LEU 130 HD22 LEU 130 106.449 -8.341 -6.818 11 HD23 LEU 130 HD23 LEU 130 106.603 -9.833 -5.917 No H/Q in entry = 11 In of MODEL 14 1 H ILE 131 H ILE 131 102.868 -9.349 -5.352 2 HA ILE 131 HA ILE 131 102.522 -12.175 -4.677 3 HB ILE 131 HB ILE 131 101.182 -10.370 -6.710 4 HD11 ILE 131 HD11 ILE 131 100.085 -8.810 -5.357 5 HD12 ILE 131 HD12 ILE 131 99.464 -9.224 -3.764 6 HD13 ILE 131 HD13 ILE 131 101.194 -9.178 -4.034 No H/Q in entry = 6 In of MODEL 14 1 H SER 132 H SER 132 103.577 -10.189 -7.468 2 HA SER 132 HA SER 132 105.316 -12.355 -8.340 3 HB2 SER 132 HB2 SER 132 103.590 -13.077 -9.675 4 HB3 SER 132 HB3 SER 132 102.923 -11.466 -9.815 5 HG SER 132 HG SER 132 104.400 -10.957 -11.324 No H/Q in entry = 5 In of MODEL 14 1 H VAL 133 H VAL 133 106.865 -11.703 -9.974 2 HA VAL 133 HA VAL 133 107.250 -8.763 -10.153 3 HB VAL 133 HB VAL 133 109.382 -10.856 -9.634 No H/Q in entry = 3 In of MODEL 14 1 H LYS 134 H LYS 134 107.861 -7.999 -12.113 2 HA LYS 134 HA LYS 134 108.074 -9.883 -14.326 3 HB2 LYS 134 HB2 LYS 134 106.676 -7.627 -14.241 4 HB3 LYS 134 HB3 LYS 134 108.242 -6.948 -14.660 5 HG2 LYS 134 HG2 LYS 134 107.402 -7.363 -16.791 6 HG3 LYS 134 HG3 LYS 134 108.276 -8.864 -16.492 7 HD2 LYS 134 HD2 LYS 134 106.083 -9.764 -15.528 8 HD3 LYS 134 HD3 LYS 134 105.311 -8.360 -16.269 9 HE2 LYS 134 HE2 LYS 134 106.390 -9.021 -18.450 10 HE3 LYS 134 HE3 LYS 134 106.894 -10.522 -17.677 11 HZ1 LYS 134 HZ1 LYS 134 104.449 -10.767 -17.067 12 HZ2 LYS 134 HZ2 LYS 134 104.155 -9.581 -18.247 13 HZ3 LYS 134 HZ3 LYS 134 104.885 -11.046 -18.686 No H/Q in entry = 13 In of MODEL 14 1 H LYS 135 H LYS 135 109.514 -7.880 -15.878 2 HA LYS 135 HA LYS 135 112.031 -7.259 -14.793 3 HB2 LYS 135 HB2 LYS 135 111.813 -9.953 -15.341 4 HB3 LYS 135 HB3 LYS 135 112.545 -9.356 -16.810 5 HG2 LYS 135 HG2 LYS 135 113.624 -8.636 -14.083 6 HG3 LYS 135 HG3 LYS 135 114.101 -10.098 -14.933 7 HD2 LYS 135 HD2 LYS 135 114.253 -7.462 -16.367 8 HD3 LYS 135 HD3 LYS 135 115.516 -7.876 -15.216 9 HE2 LYS 135 HE2 LYS 135 114.680 -9.707 -17.470 10 HE3 LYS 135 HE3 LYS 135 116.001 -8.552 -17.610 11 HZ1 LYS 135 HZ1 LYS 135 116.292 -9.997 -15.219 12 HZ2 LYS 135 HZ2 LYS 135 116.064 -11.101 -16.485 13 HZ3 LYS 135 HZ3 LYS 135 117.323 -9.964 -16.568 No H/Q in entry = 13 In of MODEL 14 1 H SER 136 H SER 136 113.067 -5.856 -16.030 2 HA SER 136 HA SER 136 111.792 -5.071 -18.568 3 HB2 SER 136 HB2 SER 136 112.035 -3.222 -17.142 4 HB3 SER 136 HB3 SER 136 113.640 -3.726 -16.616 5 HG SER 136 HG SER 136 114.099 -2.225 -18.094 No H/Q in entry = 5 In of MODEL 14 1 H SER 137 H SER 137 115.150 -5.214 -17.351 2 HA SER 137 HA SER 137 116.085 -6.872 -19.467 3 HB2 SER 137 HB2 SER 137 116.104 -5.227 -21.066 4 HB3 SER 137 HB3 SER 137 116.079 -3.934 -19.873 5 HG SER 137 HG SER 137 118.077 -4.088 -21.012 No H/Q in entry = 5 In of MODEL 15 1 H1 PHE 1 H1 PHE 1 96.218 28.891 3.969 2 H2 PHE 1 H2 PHE 1 94.683 28.857 3.249 3 H3 PHE 1 H3 PHE 1 94.941 28.072 4.734 4 HA PHE 1 HA PHE 1 94.861 26.427 3.034 5 HB2 PHE 1 HB2 PHE 1 96.399 28.489 1.614 6 HB3 PHE 1 HB3 PHE 1 97.165 26.910 1.466 7 HD1 PHE 1 HD1 PHE 1 94.379 29.005 0.448 8 HD2 PHE 1 HD2 PHE 1 95.821 24.962 0.587 9 HE1 PHE 1 HE1 PHE 1 92.701 28.347 -1.259 10 HE2 PHE 1 HE2 PHE 1 94.154 24.308 -1.126 11 HZ PHE 1 HZ PHE 1 92.591 26.000 -2.044 No H/Q in entry = 11 In of MODEL 15 1 H ASN 2 H ASN 2 97.968 27.979 3.883 2 HA ASN 2 HA ASN 2 99.323 25.558 4.423 3 HB2 ASN 2 HB2 ASN 2 99.919 28.308 5.504 4 HB3 ASN 2 HB3 ASN 2 101.025 26.936 5.490 5 HD21 ASN 2 HD21 ASN 2 100.432 25.917 2.876 6 HD22 ASN 2 HD22 ASN 2 100.927 27.063 1.724 No H/Q in entry = 6 In of MODEL 15 1 H LYS 3 H LYS 3 97.432 27.730 6.458 2 HA LYS 3 HA LYS 3 98.080 26.869 8.977 3 HB2 LYS 3 HB2 LYS 3 95.785 27.415 9.651 4 HB3 LYS 3 HB3 LYS 3 96.441 28.624 8.555 5 HG2 LYS 3 HG2 LYS 3 94.620 28.338 7.229 6 HG3 LYS 3 HG3 LYS 3 95.191 26.720 6.855 7 HD2 LYS 3 HD2 LYS 3 93.980 25.861 8.851 8 HD3 LYS 3 HD3 LYS 3 93.374 27.487 9.162 9 HE2 LYS 3 HE2 LYS 3 92.448 27.411 6.768 10 HE3 LYS 3 HE3 LYS 3 92.789 25.683 6.821 11 HZ1 LYS 3 HZ1 LYS 3 91.501 25.795 9.037 12 HZ2 LYS 3 HZ2 LYS 3 90.865 27.239 8.405 13 HZ3 LYS 3 HZ3 LYS 3 90.638 25.773 7.577 No H/Q in entry = 13 In of MODEL 15 1 H LYS 4 H LYS 4 96.062 25.190 6.603 2 HA LYS 4 HA LYS 4 95.331 23.060 8.369 3 HB2 LYS 4 HB2 LYS 4 94.284 23.882 6.087 4 HB3 LYS 4 HB3 LYS 4 95.389 22.702 5.396 5 HG2 LYS 4 HG2 LYS 4 93.388 22.102 7.584 6 HG3 LYS 4 HG3 LYS 4 93.121 21.786 5.877 7 HD2 LYS 4 HD2 LYS 4 95.377 20.438 6.044 8 HD3 LYS 4 HD3 LYS 4 95.033 20.446 7.773 9 HE2 LYS 4 HE2 LYS 4 92.663 19.615 7.093 10 HE3 LYS 4 HE3 LYS 4 93.421 19.206 5.554 11 HZ1 LYS 4 HZ1 LYS 4 95.131 17.987 6.907 12 HZ2 LYS 4 HZ2 LYS 4 94.107 18.188 8.248 13 HZ3 LYS 4 HZ3 LYS 4 93.574 17.305 6.902 No H/Q in entry = 13 In of MODEL 15 1 H ALA 5 H ALA 5 97.809 23.591 5.944 2 HA ALA 5 HA ALA 5 98.989 21.110 5.679 3 HB1 ALA 5 HB1 ALA 5 100.896 22.265 4.885 4 HB2 ALA 5 HB2 ALA 5 100.540 23.676 5.858 5 HB3 ALA 5 HB3 ALA 5 99.528 23.291 4.480 No H/Q in entry = 5 In of MODEL 15 1 H ASP 6 H ASP 6 99.229 23.423 8.251 2 HA ASP 6 HA ASP 6 101.451 22.346 9.583 3 HB2 ASP 6 HB2 ASP 6 99.082 23.903 10.504 4 HB3 ASP 6 HB3 ASP 6 100.364 23.416 11.601 No H/Q in entry = 4 In of MODEL 15 1 H GLU 7 H GLU 7 97.977 21.582 9.732 2 HA GLU 7 HA GLU 7 98.099 19.778 11.905 3 HB2 GLU 7 HB2 GLU 7 96.230 19.478 9.600 4 HB3 GLU 7 HB3 GLU 7 95.948 19.081 11.291 5 HG2 GLU 7 HG2 GLU 7 96.163 21.514 11.820 6 HG3 GLU 7 HG3 GLU 7 96.232 21.833 10.090 No H/Q in entry = 6 In of MODEL 15 1 H ASN 8 H ASN 8 98.094 19.170 8.452 2 HA ASN 8 HA ASN 8 98.512 16.372 8.587 3 HB2 ASN 8 HB2 ASN 8 99.459 18.257 6.429 4 HB3 ASN 8 HB3 ASN 8 99.078 16.553 6.269 5 HD21 ASN 8 HD21 ASN 8 97.666 18.040 4.561 6 HD22 ASN 8 HD22 ASN 8 96.077 18.298 5.081 No H/Q in entry = 6 In of MODEL 15 1 H LYS 9 H LYS 9 100.577 19.122 8.660 2 HA LYS 9 HA LYS 9 103.083 17.809 8.390 3 HB2 LYS 9 HB2 LYS 9 103.185 20.090 7.977 4 HB3 LYS 9 HB3 LYS 9 102.090 20.449 9.274 5 HG2 LYS 9 HG2 LYS 9 103.818 20.110 10.929 6 HG3 LYS 9 HG3 LYS 9 104.936 19.596 9.667 7 HD2 LYS 9 HD2 LYS 9 104.726 21.847 8.630 8 HD3 LYS 9 HD3 LYS 9 103.666 22.322 9.946 9 HE2 LYS 9 HE2 LYS 9 105.728 23.117 10.698 10 HE3 LYS 9 HE3 LYS 9 105.623 21.554 11.498 11 HZ1 LYS 9 HZ1 LYS 9 106.919 20.588 9.699 12 HZ2 LYS 9 HZ2 LYS 9 107.035 22.104 8.942 13 HZ3 LYS 9 HZ3 LYS 9 107.775 21.845 10.450 No H/Q in entry = 13 In of MODEL 15 1 H VAL 10 H VAL 10 101.352 18.980 11.320 2 HA VAL 10 HA VAL 10 103.351 17.985 13.069 3 HB VAL 10 HB VAL 10 100.507 18.811 13.587 No H/Q in entry = 3 In of MODEL 15 1 H LYS 11 H LYS 11 100.207 16.640 12.126 2 HA LYS 11 HA LYS 11 100.460 14.330 13.732 3 HB2 LYS 11 HB2 LYS 11 98.869 14.935 11.269 4 HB3 LYS 11 HB3 LYS 11 98.828 13.360 12.029 5 HG2 LYS 11 HG2 LYS 11 97.001 14.431 13.042 6 HG3 LYS 11 HG3 LYS 11 98.276 14.696 14.225 7 HD2 LYS 11 HD2 LYS 11 98.711 16.921 13.083 8 HD3 LYS 11 HD3 LYS 11 97.238 16.646 12.155 9 HE2 LYS 11 HE2 LYS 11 97.543 16.979 15.134 10 HE3 LYS 11 HE3 LYS 11 96.582 17.959 14.027 11 HZ1 LYS 11 HZ1 LYS 11 95.183 16.027 13.598 12 HZ2 LYS 11 HZ2 LYS 11 96.091 15.108 14.701 13 HZ3 LYS 11 HZ3 LYS 11 95.179 16.427 15.251 No H/Q in entry = 13 In of MODEL 15 1 H GLY 12 H GLY 12 101.440 15.242 10.522 2 HA2 GLY 12 HA2 GLY 12 102.789 14.231 8.955 3 HA3 GLY 12 HA3 GLY 12 102.438 12.701 9.725 No H/Q in entry = 3 In of MODEL 15 1 H GLU 13 H GLU 13 104.060 15.595 11.089 2 HA GLU 13 HA GLU 13 106.677 14.509 10.896 3 HB2 GLU 13 HB2 GLU 13 105.493 16.597 12.730 4 HB3 GLU 13 HB3 GLU 13 107.176 16.097 12.858 5 HG2 GLU 13 HG2 GLU 13 107.572 16.724 10.536 6 HG3 GLU 13 HG3 GLU 13 105.890 17.196 10.351 No H/Q in entry = 6 In of MODEL 15 1 H ALA 14 H ALA 14 104.077 14.140 13.154 2 HA ALA 14 HA ALA 14 105.565 12.808 15.173 3 HB1 ALA 14 HB1 ALA 14 103.386 14.037 15.521 4 HB2 ALA 14 HB2 ALA 14 102.591 12.686 14.712 5 HB3 ALA 14 HB3 ALA 14 103.455 12.423 16.227 No H/Q in entry = 5 In of MODEL 15 1 H PHE 15 H PHE 15 103.688 11.971 12.399 2 HA PHE 15 HA PHE 15 103.402 9.193 12.781 3 HB2 PHE 15 HB2 PHE 15 102.176 10.719 11.215 4 HB3 PHE 15 HB3 PHE 15 103.612 10.748 10.220 5 HD1 PHE 15 HD1 PHE 15 104.153 9.006 8.770 6 HD2 PHE 15 HD2 PHE 15 100.995 8.510 11.635 7 HE1 PHE 15 HE1 PHE 15 103.382 6.974 7.584 8 HE2 PHE 15 HE2 PHE 15 100.251 6.453 10.460 9 HZ PHE 15 HZ PHE 15 101.453 5.702 8.438 No H/Q in entry = 9 In of MODEL 15 1 H LEU 16 H LEU 16 105.795 11.053 10.882 2 HA LEU 16 HA LEU 16 107.288 8.681 10.231 3 HB2 LEU 16 HB2 LEU 16 108.061 11.606 10.042 4 HB3 LEU 16 HB3 LEU 16 109.093 10.286 9.528 5 HG LEU 16 HG LEU 16 106.923 9.563 8.146 6 HD11 LEU 16 HD11 LEU 16 106.505 12.492 8.732 7 HD12 LEU 16 HD12 LEU 16 105.998 11.829 7.183 8 HD13 LEU 16 HD13 LEU 16 105.329 11.182 8.685 9 HD21 LEU 16 HD21 LEU 16 108.961 11.667 7.436 10 HD22 LEU 16 HD22 LEU 16 108.989 9.945 7.080 11 HD23 LEU 16 HD23 LEU 16 107.842 10.988 6.257 No H/Q in entry = 11 In of MODEL 15 1 H THR 17 H THR 17 107.454 11.163 12.687 2 HA THR 17 HA THR 17 109.929 10.397 13.790 3 HB THR 17 HB THR 17 107.563 11.655 15.169 4 HG1 THR 17 HG1 THR 17 109.944 12.890 14.341 5 HG21 THR 17 HG21 THR 17 110.415 11.184 15.984 6 HG22 THR 17 HG22 THR 17 109.417 12.445 16.709 7 HG23 THR 17 HG23 THR 17 108.941 10.757 16.857 No H/Q in entry = 7 In of MODEL 15 1 H GLU 18 H GLU 18 106.618 9.371 14.420 2 HA GLU 18 HA GLU 18 107.337 7.582 16.484 3 HB2 GLU 18 HB2 GLU 18 105.123 8.612 16.422 4 HB3 GLU 18 HB3 GLU 18 104.792 7.786 14.905 5 HG2 GLU 18 HG2 GLU 18 105.000 5.606 16.021 6 HG3 GLU 18 HG3 GLU 18 105.391 6.413 17.539 No H/Q in entry = 6 In of MODEL 15 1 H ASN 19 H ASN 19 106.437 7.150 13.065 2 HA ASN 19 HA ASN 19 106.464 4.341 13.101 3 HB2 ASN 19 HB2 ASN 19 105.505 5.628 11.266 4 HB3 ASN 19 HB3 ASN 19 107.111 6.178 10.804 5 HD21 ASN 19 HD21 ASN 19 107.695 5.054 8.995 6 HD22 ASN 19 HD22 ASN 19 107.497 3.388 8.762 No H/Q in entry = 6 In of MODEL 15 1 H LYS 20 H LYS 20 109.124 6.556 12.323 2 HA LYS 20 HA LYS 20 110.934 4.544 11.553 3 HB2 LYS 20 HB2 LYS 20 112.723 6.135 12.062 4 HB3 LYS 20 HB3 LYS 20 111.418 6.936 11.194 5 HG2 LYS 20 HG2 LYS 20 110.494 7.557 13.507 6 HG3 LYS 20 HG3 LYS 20 112.043 7.024 14.149 7 HD2 LYS 20 HD2 LYS 20 111.726 9.152 12.013 8 HD3 LYS 20 HD3 LYS 20 111.979 9.482 13.728 9 HE2 LYS 20 HE2 LYS 20 114.081 8.003 13.514 10 HE3 LYS 20 HE3 LYS 20 113.870 8.211 11.777 11 HZ1 LYS 20 HZ1 LYS 20 114.017 10.452 13.707 12 HZ2 LYS 20 HZ2 LYS 20 115.336 9.895 12.792 13 HZ3 LYS 20 HZ3 LYS 20 113.986 10.562 12.012 No H/Q in entry = 13 In of MODEL 15 1 H ASN 21 H ASN 21 109.867 5.677 14.668 2 HA ASN 21 HA ASN 21 111.917 4.281 16.158 3 HB2 ASN 21 HB2 ASN 21 109.503 5.908 16.864 4 HB3 ASN 21 HB3 ASN 21 110.292 4.933 18.097 5 HD21 ASN 21 HD21 ASN 21 110.718 7.704 15.933 6 HD22 ASN 21 HD22 ASN 21 112.117 8.301 16.684 No H/Q in entry = 6 In of MODEL 15 1 H LYS 22 H LYS 22 108.657 3.614 15.091 2 HA LYS 22 HA LYS 22 108.010 1.612 16.878 3 HB2 LYS 22 HB2 LYS 22 107.230 2.182 14.070 4 HB3 LYS 22 HB3 LYS 22 106.593 0.763 14.873 5 HG2 LYS 22 HG2 LYS 22 106.074 2.693 16.773 6 HG3 LYS 22 HG3 LYS 22 105.968 3.646 15.302 7 HD2 LYS 22 HD2 LYS 22 104.461 1.049 15.708 8 HD3 LYS 22 HD3 LYS 22 103.775 2.639 16.031 9 HE2 LYS 22 HE2 LYS 22 103.812 3.254 13.771 10 HE3 LYS 22 HE3 LYS 22 105.027 2.045 13.364 11 HZ1 LYS 22 HZ1 LYS 22 102.277 1.396 14.255 12 HZ2 LYS 22 HZ2 LYS 22 102.754 1.467 12.626 13 HZ3 LYS 22 HZ3 LYS 22 103.441 0.311 13.661 No H/Q in entry = 13 In of MODEL 15 1 HA PRO 23 HA PRO 23 110.929 -1.657 15.870 2 HB2 PRO 23 HB2 PRO 23 108.734 -3.571 16.524 3 HB3 PRO 23 HB3 PRO 23 110.383 -3.478 17.173 4 HG2 PRO 23 HG2 PRO 23 108.269 -2.681 18.605 5 HG3 PRO 23 HG3 PRO 23 109.838 -1.858 18.700 6 HD2 PRO 23 HD2 PRO 23 107.328 -0.962 17.329 7 HD3 PRO 23 HD3 PRO 23 108.586 -0.015 18.155 No H/Q in entry = 7 In of MODEL 15 1 H GLY 24 H GLY 24 111.377 -3.025 14.185 2 HA2 GLY 24 HA2 GLY 24 109.320 -3.936 12.353 3 HA3 GLY 24 HA3 GLY 24 111.033 -4.331 12.283 No H/Q in entry = 3 In of MODEL 15 1 H VAL 25 H VAL 25 110.182 -1.016 12.662 2 HA VAL 25 HA VAL 25 110.180 -0.482 9.792 3 HB VAL 25 HB VAL 25 110.129 1.448 12.123 No H/Q in entry = 3 In of MODEL 15 1 H VAL 26 H VAL 26 111.853 0.285 8.668 2 HA VAL 26 HA VAL 26 114.354 1.061 10.094 3 HB VAL 26 HB VAL 26 114.046 -0.343 7.429 No H/Q in entry = 3 In of MODEL 15 1 H VAL 27 H VAL 27 114.802 3.172 9.820 2 HA VAL 27 HA VAL 27 113.457 4.598 7.666 3 HB VAL 27 HB VAL 27 113.180 5.551 9.887 No H/Q in entry = 3 In of MODEL 15 1 H LEU 28 H LEU 28 114.368 5.897 6.209 2 HA LEU 28 HA LEU 28 117.248 5.405 5.727 3 HB2 LEU 28 HB2 LEU 28 115.063 5.974 3.727 4 HB3 LEU 28 HB3 LEU 28 116.732 5.677 3.321 5 HG LEU 28 HG LEU 28 114.976 3.689 4.763 6 HD11 LEU 28 HD11 LEU 28 114.319 4.265 2.366 7 HD12 LEU 28 HD12 LEU 28 115.876 3.632 1.879 8 HD13 LEU 28 HD13 LEU 28 114.702 2.582 2.654 9 HD21 LEU 28 HD21 LEU 28 117.764 3.592 3.569 10 HD22 LEU 28 HD22 LEU 28 117.294 3.249 5.234 11 HD23 LEU 28 HD23 LEU 28 116.831 2.145 3.947 No H/Q in entry = 11 In of MODEL 15 1 HA PRO 29 HA PRO 29 118.134 9.676 5.846 2 HB2 PRO 29 HB2 PRO 29 119.346 9.606 3.138 3 HB3 PRO 29 HB3 PRO 29 120.074 10.097 4.676 4 HG2 PRO 29 HG2 PRO 29 120.710 7.787 3.556 5 HG3 PRO 29 HG3 PRO 29 120.512 7.913 5.316 6 HD2 PRO 29 HD2 PRO 29 118.618 6.798 3.286 7 HD3 PRO 29 HD3 PRO 29 119.025 6.174 4.893 No H/Q in entry = 7 In of MODEL 15 1 H SER 30 H SER 30 116.706 8.471 2.896 2 HA SER 30 HA SER 30 115.814 10.957 1.841 3 HB2 SER 30 HB2 SER 30 114.384 8.342 1.394 4 HB3 SER 30 HB3 SER 30 114.625 9.679 0.269 5 HG SER 30 HG SER 30 116.984 9.101 0.675 No H/Q in entry = 5 In of MODEL 15 1 H GLY 31 H GLY 31 114.878 9.086 4.482 2 HA2 GLY 31 HA2 GLY 31 112.535 10.789 4.960 3 HA3 GLY 31 HA3 GLY 31 113.362 9.794 6.155 No H/Q in entry = 3 In of MODEL 15 1 H LEU 32 H LEU 32 113.170 7.967 3.443 2 HA LEU 32 HA LEU 32 110.438 7.109 3.709 3 HB2 LEU 32 HB2 LEU 32 111.635 7.069 1.520 4 HB3 LEU 32 HB3 LEU 32 112.716 5.855 2.144 5 HG LEU 32 HG LEU 32 110.746 5.106 0.650 6 HD11 LEU 32 HD11 LEU 32 112.164 3.581 1.958 7 HD12 LEU 32 HD12 LEU 32 111.019 3.688 3.281 8 HD13 LEU 32 HD13 LEU 32 110.518 3.007 1.745 9 HD21 LEU 32 HD21 LEU 32 109.084 6.442 1.909 10 HD22 LEU 32 HD22 LEU 32 108.618 4.766 1.682 11 HD23 LEU 32 HD23 LEU 32 109.210 5.306 3.243 No H/Q in entry = 11 In of MODEL 15 1 H GLN 33 H GLN 33 109.731 5.419 4.889 2 HA GLN 33 HA GLN 33 111.723 3.801 6.362 3 HB2 GLN 33 HB2 GLN 33 109.057 4.901 7.241 4 HB3 GLN 33 HB3 GLN 33 110.004 3.765 8.166 5 HG2 GLN 33 HG2 GLN 33 110.969 5.602 9.104 6 HG3 GLN 33 HG3 GLN 33 111.833 5.725 7.603 7 HE21 GLN 33 HE21 GLN 33 111.329 8.018 9.114 8 HE22 GLN 33 HE22 GLN 33 110.269 8.978 8.210 No H/Q in entry = 8 In of MODEL 15 1 H TYR 34 H TYR 34 111.410 1.621 6.411 2 HA TYR 34 HA TYR 34 108.872 0.578 5.363 3 HB2 TYR 34 HB2 TYR 34 109.975 -1.098 4.034 4 HB3 TYR 34 HB3 TYR 34 110.457 0.501 3.493 5 HD1 TYR 34 HD1 TYR 34 111.469 -2.385 5.566 6 HD2 TYR 34 HD2 TYR 34 112.749 1.188 3.574 7 HE1 TYR 34 HE1 TYR 34 113.844 -3.023 5.955 8 HE2 TYR 34 HE2 TYR 34 115.114 0.558 3.954 9 HH TYR 34 HH TYR 34 115.976 -2.535 5.482 No H/Q in entry = 9 In of MODEL 15 1 H LYS 35 H LYS 35 108.192 -1.317 6.064 2 HA LYS 35 HA LYS 35 109.708 -2.587 8.226 3 HB2 LYS 35 HB2 LYS 35 108.023 -1.071 9.162 4 HB3 LYS 35 HB3 LYS 35 106.763 -1.927 8.305 5 HG2 LYS 35 HG2 LYS 35 108.510 -3.677 9.861 6 HG3 LYS 35 HG3 LYS 35 107.693 -2.505 10.865 7 HD2 LYS 35 HD2 LYS 35 105.541 -3.197 9.951 8 HD3 LYS 35 HD3 LYS 35 106.348 -4.346 8.886 9 HE2 LYS 35 HE2 LYS 35 105.515 -5.513 10.867 10 HE3 LYS 35 HE3 LYS 35 107.271 -5.499 10.870 11 HZ1 LYS 35 HZ1 LYS 35 106.754 -3.249 12.184 12 HZ2 LYS 35 HZ2 LYS 35 105.402 -4.162 12.641 13 HZ3 LYS 35 HZ3 LYS 35 106.965 -4.748 12.951 No H/Q in entry = 13 In of MODEL 15 1 H VAL 36 H VAL 36 109.652 -4.706 8.218 2 HA VAL 36 HA VAL 36 108.266 -5.986 5.977 3 HB VAL 36 HB VAL 36 110.597 -6.472 6.153 No H/Q in entry = 3 In of MODEL 15 1 H ILE 37 H ILE 37 106.253 -6.472 6.356 2 HA ILE 37 HA ILE 37 105.216 -7.224 8.911 3 HB ILE 37 HB ILE 37 103.941 -7.814 6.232 4 HD11 ILE 37 HD11 ILE 37 104.290 -5.345 8.882 5 HD12 ILE 37 HD12 ILE 37 104.229 -3.927 7.877 6 HD13 ILE 37 HD13 ILE 37 102.747 -4.757 8.328 No H/Q in entry = 6 In of MODEL 15 1 H ASN 38 H ASN 38 106.152 -8.867 6.001 2 HA ASN 38 HA ASN 38 106.407 -11.418 7.433 3 HB2 ASN 38 HB2 ASN 38 104.860 -10.935 4.902 4 HB3 ASN 38 HB3 ASN 38 105.323 -12.518 5.453 5 HD21 ASN 38 HD21 ASN 38 103.116 -9.844 6.033 6 HD22 ASN 38 HD22 ASN 38 102.199 -10.621 7.229 No H/Q in entry = 6 In of MODEL 15 1 H SER 39 H SER 39 108.405 -12.208 6.982 2 HA SER 39 HA SER 39 109.886 -11.090 4.726 3 HB2 SER 39 HB2 SER 39 111.795 -11.759 5.780 4 HB3 SER 39 HB3 SER 39 110.741 -11.641 7.191 5 HG SER 39 HG SER 39 111.262 -13.977 5.651 No H/Q in entry = 5 In of MODEL 15 1 H GLY 40 H GLY 40 110.046 -12.036 2.864 2 HA2 GLY 40 HA2 GLY 40 109.023 -13.626 1.343 3 HA3 GLY 40 HA3 GLY 40 109.262 -14.861 2.569 No H/Q in entry = 3 In of MODEL 15 1 H ASN 41 H ASN 41 111.594 -12.370 1.745 2 HA ASN 41 HA ASN 41 113.723 -12.459 0.904 3 HB2 ASN 41 HB2 ASN 41 113.498 -15.290 1.916 4 HB3 ASN 41 HB3 ASN 41 114.999 -14.506 1.436 5 HD21 ASN 41 HD21 ASN 41 112.812 -12.253 2.822 6 HD22 ASN 41 HD22 ASN 41 113.468 -12.245 4.391 No H/Q in entry = 6 In of MODEL 15 1 H GLY 42 H GLY 42 111.487 -13.035 -0.917 2 HA2 GLY 42 HA2 GLY 42 111.017 -14.199 -2.902 3 HA3 GLY 42 HA3 GLY 42 112.536 -15.061 -2.734 No H/Q in entry = 3 In of MODEL 15 1 H VAL 43 H VAL 43 111.644 -13.993 -5.081 2 HA VAL 43 HA VAL 43 113.864 -12.430 -5.913 3 HB VAL 43 HB VAL 43 112.829 -12.453 -8.107 No H/Q in entry = 3 In of MODEL 15 1 H LYS 44 H LYS 44 113.171 -10.431 -7.410 2 HA LYS 44 HA LYS 44 111.061 -8.789 -6.724 3 HB2 LYS 44 HB2 LYS 44 111.836 -7.190 -5.144 4 HB3 LYS 44 HB3 LYS 44 112.097 -8.746 -4.448 5 HG2 LYS 44 HG2 LYS 44 114.372 -7.515 -5.960 6 HG3 LYS 44 HG3 LYS 44 113.977 -6.860 -4.387 7 HD2 LYS 44 HD2 LYS 44 114.166 -9.840 -4.571 8 HD3 LYS 44 HD3 LYS 44 115.675 -8.938 -4.677 9 HE2 LYS 44 HE2 LYS 44 115.472 -8.130 -2.487 10 HE3 LYS 44 HE3 LYS 44 113.719 -8.305 -2.468 11 HZ1 LYS 44 HZ1 LYS 44 115.561 -10.615 -2.669 12 HZ2 LYS 44 HZ2 LYS 44 115.017 -10.009 -1.183 13 HZ3 LYS 44 HZ3 LYS 44 113.904 -10.625 -2.302 No H/Q in entry = 13 In of MODEL 15 1 HA PRO 45 HA PRO 45 112.696 -6.634 -10.099 2 HB2 PRO 45 HB2 PRO 45 111.189 -4.350 -9.995 3 HB3 PRO 45 HB3 PRO 45 110.588 -5.913 -10.507 4 HG2 PRO 45 HG2 PRO 45 109.979 -4.414 -8.100 5 HG3 PRO 45 HG3 PRO 45 109.221 -5.862 -8.765 6 HD2 PRO 45 HD2 PRO 45 111.113 -5.696 -6.583 7 HD3 PRO 45 HD3 PRO 45 110.138 -7.086 -7.141 No H/Q in entry = 7 In of MODEL 15 1 H GLY 46 H GLY 46 113.539 -4.739 -11.078 2 HA2 GLY 46 HA2 GLY 46 115.587 -3.480 -11.022 3 HA3 GLY 46 HA3 GLY 46 115.322 -3.190 -9.307 No H/Q in entry = 3 In of MODEL 15 1 H LYS 47 H LYS 47 115.711 -1.016 -10.008 2 HA LYS 47 HA LYS 47 113.577 0.646 -9.877 3 HB2 LYS 47 HB2 LYS 47 114.992 2.438 -10.567 4 HB3 LYS 47 HB3 LYS 47 115.979 1.296 -9.663 5 HG2 LYS 47 HG2 LYS 47 115.820 1.159 -12.687 6 HG3 LYS 47 HG3 LYS 47 116.921 2.261 -11.889 7 HD2 LYS 47 HD2 LYS 47 118.342 0.597 -11.246 8 HD3 LYS 47 HD3 LYS 47 117.061 -0.491 -10.803 9 HE2 LYS 47 HE2 LYS 47 118.146 -1.532 -12.588 10 HE3 LYS 47 HE3 LYS 47 116.727 -0.818 -13.339 11 HZ1 LYS 47 HZ1 LYS 47 119.080 0.875 -13.190 12 HZ2 LYS 47 HZ2 LYS 47 119.203 -0.460 -14.234 13 HZ3 LYS 47 HZ3 LYS 47 117.964 0.677 -14.456 No H/Q in entry = 13 In of MODEL 15 1 H SER 48 H SER 48 114.702 -1.036 -12.676 2 HA SER 48 HA SER 48 112.863 0.552 -14.385 3 HB2 SER 48 HB2 SER 48 115.227 -1.184 -15.048 4 HB3 SER 48 HB3 SER 48 114.157 -0.495 -16.264 5 HG SER 48 HG SER 48 114.748 1.464 -14.652 No H/Q in entry = 5 In of MODEL 15 1 H ASP 49 H ASP 49 112.947 -2.366 -12.751 2 HA ASP 49 HA ASP 49 111.637 -4.055 -14.723 3 HB2 ASP 49 HB2 ASP 49 113.145 -4.822 -12.956 4 HB3 ASP 49 HB3 ASP 49 111.998 -4.334 -11.789 No H/Q in entry = 4 In of MODEL 15 1 H THR 50 H THR 50 109.592 -5.118 -14.093 2 HA THR 50 HA THR 50 107.682 -3.202 -12.931 3 HB THR 50 HB THR 50 106.966 -5.376 -14.849 4 HG1 THR 50 HG1 THR 50 107.047 -3.838 -16.460 5 HG21 THR 50 HG21 THR 50 105.604 -2.906 -13.835 6 HG22 THR 50 HG22 THR 50 105.034 -3.829 -15.211 7 HG23 THR 50 HG23 THR 50 105.105 -4.591 -13.627 No H/Q in entry = 7 In of MODEL 15 1 H VAL 51 H VAL 51 106.280 -3.844 -11.449 2 HA VAL 51 HA VAL 51 106.774 -6.513 -10.268 3 HB VAL 51 HB VAL 51 107.777 -4.497 -9.131 No H/Q in entry = 3 In of MODEL 15 1 H THR 52 H THR 52 105.029 -7.375 -8.909 2 HA THR 52 HA THR 52 102.336 -6.284 -9.627 3 HB THR 52 HB THR 52 103.156 -9.188 -9.351 4 HG1 THR 52 HG1 THR 52 102.629 -7.501 -11.535 5 HG21 THR 52 HG21 THR 52 100.531 -7.790 -9.644 6 HG22 THR 52 HG22 THR 52 100.758 -9.366 -10.396 7 HG23 THR 52 HG23 THR 52 100.963 -9.197 -8.666 No H/Q in entry = 7 In of MODEL 15 1 H VAL 53 H VAL 53 101.313 -5.585 -7.778 2 HA VAL 53 HA VAL 53 101.700 -7.119 -5.271 3 HB VAL 53 HB VAL 53 102.329 -5.124 -4.059 No H/Q in entry = 3 In of MODEL 15 1 H GLU 54 H GLU 54 100.314 -6.386 -3.467 2 HA GLU 54 HA GLU 54 97.838 -4.952 -4.325 3 HB2 GLU 54 HB2 GLU 54 97.756 -6.892 -2.005 4 HB3 GLU 54 HB3 GLU 54 96.455 -6.231 -2.967 5 HG2 GLU 54 HG2 GLU 54 96.643 -7.778 -4.611 6 HG3 GLU 54 HG3 GLU 54 98.362 -7.957 -4.435 No H/Q in entry = 6 In of MODEL 15 1 H TYR 55 H TYR 55 97.017 -3.446 -2.605 2 HA TYR 55 HA TYR 55 98.628 -3.187 -0.226 3 HB2 TYR 55 HB2 TYR 55 99.460 -0.919 -0.879 4 HB3 TYR 55 HB3 TYR 55 100.134 -2.221 -1.866 5 HD1 TYR 55 HD1 TYR 55 97.525 0.423 -1.759 6 HD2 TYR 55 HD2 TYR 55 99.619 -2.397 -4.208 7 HE1 TYR 55 HE1 TYR 55 96.496 1.420 -3.777 8 HE2 TYR 55 HE2 TYR 55 98.595 -1.391 -6.213 9 HH TYR 55 HH TYR 55 96.778 -0.053 -6.899 No H/Q in entry = 9 In of MODEL 15 1 H THR 56 H THR 56 98.118 -1.301 1.085 2 HA THR 56 HA THR 56 95.514 -0.088 0.520 3 HB THR 56 HB THR 56 96.346 -1.393 3.036 4 HG1 THR 56 HG1 THR 56 93.932 -1.103 1.625 5 HG21 THR 56 HG21 THR 56 94.417 0.934 2.877 6 HG22 THR 56 HG22 THR 56 94.645 -0.096 4.286 7 HG23 THR 56 HG23 THR 56 95.954 0.943 3.736 No H/Q in entry = 7 In of MODEL 15 1 H GLY 57 H GLY 57 95.501 2.091 0.570 2 HA2 GLY 57 HA2 GLY 57 97.024 3.994 0.236 3 HA3 GLY 57 HA3 GLY 57 97.978 3.397 1.590 No H/Q in entry = 3 In of MODEL 15 1 H ARG 58 H ARG 58 97.759 4.872 3.225 2 HA ARG 58 HA ARG 58 95.145 6.109 3.620 3 HB2 ARG 58 HB2 ARG 58 94.879 5.425 5.859 4 HB3 ARG 58 HB3 ARG 58 95.256 3.968 4.943 5 HG2 ARG 58 HG2 ARG 58 97.567 4.017 5.653 6 HG3 ARG 58 HG3 ARG 58 97.358 5.566 6.457 7 HD2 ARG 58 HD2 ARG 58 97.164 4.171 8.264 8 HD3 ARG 58 HD3 ARG 58 95.477 4.243 7.781 9 HE ARG 58 HE ARG 58 96.201 2.133 6.378 10 HH11 ARG 58 HH11 ARG 58 97.160 3.002 9.608 11 HH12 ARG 58 HH12 ARG 58 97.378 1.362 10.112 12 HH21 ARG 58 HH21 ARG 58 96.521 0.012 7.040 13 HH22 ARG 58 HH22 ARG 58 97.039 -0.331 8.656 No H/Q in entry = 13 In of MODEL 15 1 H LEU 59 H LEU 59 95.145 7.651 5.395 2 HA LEU 59 HA LEU 59 97.435 9.429 5.195 3 HB2 LEU 59 HB2 LEU 59 94.619 9.567 6.002 4 HB3 LEU 59 HB3 LEU 59 95.648 10.586 6.972 5 HG LEU 59 HG LEU 59 96.566 11.420 4.657 6 HD11 LEU 59 HD11 LEU 59 93.878 10.292 3.882 7 HD12 LEU 59 HD12 LEU 59 94.838 11.364 2.900 8 HD13 LEU 59 HD13 LEU 59 95.420 9.753 3.279 9 HD21 LEU 59 HD21 LEU 59 95.156 12.723 6.306 10 HD22 LEU 59 HD22 LEU 59 94.951 13.185 4.623 11 HD23 LEU 59 HD23 LEU 59 93.745 12.194 5.412 No H/Q in entry = 11 In of MODEL 15 1 H ILE 60 H ILE 60 98.218 10.477 7.175 2 HA ILE 60 HA ILE 60 99.362 8.665 8.974 3 HB ILE 60 HB ILE 60 100.137 10.557 10.179 4 HD11 ILE 60 HD11 ILE 60 98.701 12.777 7.553 5 HD12 ILE 60 HD12 ILE 60 97.307 11.797 7.994 6 HD13 ILE 60 HD13 ILE 60 97.431 13.429 8.591 No H/Q in entry = 6 In of MODEL 15 1 H ASP 61 H ASP 61 96.353 10.295 8.992 2 HA ASP 61 HA ASP 61 95.847 9.659 11.814 3 HB2 ASP 61 HB2 ASP 61 95.412 11.957 10.743 4 HB3 ASP 61 HB3 ASP 61 93.998 11.202 10.007 No H/Q in entry = 4 In of MODEL 15 1 H GLY 62 H GLY 62 95.639 7.897 9.147 2 HA2 GLY 62 HA2 GLY 62 93.343 6.410 10.202 3 HA3 GLY 62 HA3 GLY 62 94.497 5.854 9.014 No H/Q in entry = 3 In of MODEL 15 1 H THR 63 H THR 63 93.393 8.922 8.063 2 HA THR 63 HA THR 63 90.888 8.175 6.891 3 HB THR 63 HB THR 63 92.719 10.294 5.786 4 HG1 THR 63 HG1 THR 63 92.415 10.506 8.075 5 HG21 THR 63 HG21 THR 63 90.578 9.527 4.610 6 HG22 THR 63 HG22 THR 63 89.735 10.260 5.962 7 HG23 THR 63 HG23 THR 63 90.751 11.254 4.927 No H/Q in entry = 7 In of MODEL 15 1 H VAL 64 H VAL 64 90.896 6.352 5.665 2 HA VAL 64 HA VAL 64 93.044 5.745 3.880 3 HB VAL 64 HB VAL 64 90.337 4.467 4.206 No H/Q in entry = 3 In of MODEL 15 1 H PHE 65 H PHE 65 93.443 6.617 2.054 2 HA PHE 65 HA PHE 65 91.205 7.841 0.569 3 HB2 PHE 65 HB2 PHE 65 92.757 9.244 -0.484 4 HB3 PHE 65 HB3 PHE 65 93.097 9.274 1.239 5 HD1 PHE 65 HD1 PHE 65 94.950 7.798 2.121 6 HD2 PHE 65 HD2 PHE 65 94.462 8.683 -2.040 7 HE1 PHE 65 HE1 PHE 65 97.339 7.242 1.731 8 HE2 PHE 65 HE2 PHE 65 96.845 8.118 -2.439 9 HZ PHE 65 HZ PHE 65 98.280 7.415 -0.544 No H/Q in entry = 9 In of MODEL 15 1 H ASP 66 H ASP 66 93.312 5.184 0.468 2 HA ASP 66 HA ASP 66 92.093 4.336 -1.981 3 HB2 ASP 66 HB2 ASP 66 94.551 5.745 -2.221 4 HB3 ASP 66 HB3 ASP 66 94.942 4.056 -2.506 No H/Q in entry = 4 In of MODEL 15 1 H SER 67 H SER 67 92.485 2.128 -2.480 2 HA SER 67 HA SER 67 94.099 0.559 -0.696 3 HB2 SER 67 HB2 SER 67 92.372 -0.705 0.350 4 HB3 SER 67 HB3 SER 67 92.004 0.997 0.611 5 HG SER 67 HG SER 67 90.996 -0.418 -1.617 No H/Q in entry = 5 In of MODEL 15 1 H THR 68 H THR 68 94.166 -1.687 -1.183 2 HA THR 68 HA THR 68 92.922 -2.583 -3.664 3 HB THR 68 HB THR 68 95.936 -2.413 -3.412 4 HG1 THR 68 HG1 THR 68 95.583 -1.123 -5.360 5 HG21 THR 68 HG21 THR 68 94.108 -3.609 -5.494 6 HG22 THR 68 HG22 THR 68 95.819 -3.289 -5.771 7 HG23 THR 68 HG23 THR 68 95.330 -4.441 -4.537 No H/Q in entry = 7 In of MODEL 15 1 H GLU 69 H GLU 69 95.297 -3.202 -1.104 2 HA GLU 69 HA GLU 69 95.287 -6.008 -1.318 3 HB2 GLU 69 HB2 GLU 69 96.177 -6.027 0.951 4 HB3 GLU 69 HB3 GLU 69 97.007 -4.898 -0.104 5 HG2 GLU 69 HG2 GLU 69 96.751 -3.567 1.740 6 HG3 GLU 69 HG3 GLU 69 95.323 -3.176 0.809 No H/Q in entry = 6 In of MODEL 15 1 H LYS 70 H LYS 70 93.079 -3.758 0.103 2 HA LYS 70 HA LYS 70 91.720 -5.464 1.828 3 HB2 LYS 70 HB2 LYS 70 90.657 -3.207 0.135 4 HB3 LYS 70 HB3 LYS 70 89.782 -3.942 1.481 5 HG2 LYS 70 HG2 LYS 70 92.527 -2.728 1.713 6 HG3 LYS 70 HG3 LYS 70 91.055 -1.824 2.057 7 HD2 LYS 70 HD2 LYS 70 90.505 -3.773 3.699 8 HD3 LYS 70 HD3 LYS 70 92.210 -4.190 3.548 9 HE2 LYS 70 HE2 LYS 70 92.776 -1.838 4.160 10 HE3 LYS 70 HE3 LYS 70 91.073 -1.573 4.536 11 HZ1 LYS 70 HZ1 LYS 70 91.597 -3.860 5.843 12 HZ2 LYS 70 HZ2 LYS 70 93.082 -3.048 5.995 13 HZ3 LYS 70 HZ3 LYS 70 91.652 -2.319 6.550 No H/Q in entry = 13 In of MODEL 15 1 H THR 71 H THR 71 91.444 -4.823 -1.575 2 HA THR 71 HA THR 71 89.409 -6.805 -2.051 3 HB THR 71 HB THR 71 90.740 -6.147 -4.490 4 HG1 THR 71 HG1 THR 71 90.191 -3.693 -3.633 5 HG21 THR 71 HG21 THR 71 88.243 -5.045 -3.179 6 HG22 THR 71 HG22 THR 71 88.689 -4.730 -4.855 7 HG23 THR 71 HG23 THR 71 88.336 -6.377 -4.332 No H/Q in entry = 7 In of MODEL 15 1 H GLY 72 H GLY 72 92.888 -6.515 -2.099 2 HA2 GLY 72 HA2 GLY 72 93.236 -9.356 -1.949 3 HA3 GLY 72 HA3 GLY 72 94.500 -8.141 -1.893 No H/Q in entry = 3 In of MODEL 15 1 H LYS 73 H LYS 73 93.235 -7.035 -4.462 2 HA LYS 73 HA LYS 73 94.129 -9.087 -6.369 3 HB2 LYS 73 HB2 LYS 73 92.405 -6.647 -6.542 4 HB3 LYS 73 HB3 LYS 73 93.223 -7.184 -8.006 5 HG2 LYS 73 HG2 LYS 73 91.190 -8.286 -8.156 6 HG3 LYS 73 HG3 LYS 73 92.206 -9.525 -7.437 7 HD2 LYS 73 HD2 LYS 73 91.383 -8.657 -5.156 8 HD3 LYS 73 HD3 LYS 73 90.184 -7.744 -6.065 9 HE2 LYS 73 HE2 LYS 73 89.489 -10.042 -5.157 10 HE3 LYS 73 HE3 LYS 73 89.114 -9.696 -6.841 11 HZ1 LYS 73 HZ1 LYS 73 91.515 -11.179 -5.912 12 HZ2 LYS 73 HZ2 LYS 73 90.098 -11.906 -6.504 13 HZ3 LYS 73 HZ3 LYS 73 91.035 -10.930 -7.523 No H/Q in entry = 13 In of MODEL 15 1 HA PRO 74 HA PRO 74 98.011 -6.879 -6.437 2 HB2 PRO 74 HB2 PRO 74 98.590 -8.608 -8.778 3 HB3 PRO 74 HB3 PRO 74 99.527 -8.339 -7.299 4 HG2 PRO 74 HG2 PRO 74 98.176 -10.596 -7.670 5 HG3 PRO 74 HG3 PRO 74 98.284 -9.834 -6.082 6 HD2 PRO 74 HD2 PRO 74 96.025 -9.813 -8.033 7 HD3 PRO 74 HD3 PRO 74 96.033 -9.989 -6.271 No H/Q in entry = 7 In of MODEL 15 1 H ALA 75 H ALA 75 99.024 -5.337 -7.627 2 HA ALA 75 HA ALA 75 97.737 -4.421 -10.137 3 HB1 ALA 75 HB1 ALA 75 97.279 -3.019 -8.041 4 HB2 ALA 75 HB2 ALA 75 97.976 -2.157 -9.415 5 HB3 ALA 75 HB3 ALA 75 98.998 -2.638 -8.065 No H/Q in entry = 5 In of MODEL 15 1 H THR 76 H THR 76 99.215 -3.650 -11.744 2 HA THR 76 HA THR 76 102.018 -4.375 -11.202 3 HB THR 76 HB THR 76 101.210 -5.614 -12.991 4 HG1 THR 76 HG1 THR 76 102.206 -3.710 -14.658 5 HG21 THR 76 HG21 THR 76 100.032 -3.017 -14.000 6 HG22 THR 76 HG22 THR 76 100.076 -4.500 -14.950 7 HG23 THR 76 HG23 THR 76 99.151 -4.441 -13.449 No H/Q in entry = 7 In of MODEL 15 1 H PHE 77 H PHE 77 103.617 -3.007 -11.186 2 HA PHE 77 HA PHE 77 103.285 -0.317 -12.353 3 HB2 PHE 77 HB2 PHE 77 104.525 -0.802 -9.655 4 HB3 PHE 77 HB3 PHE 77 104.197 0.737 -10.416 5 HD1 PHE 77 HD1 PHE 77 103.077 -1.375 -7.982 6 HD2 PHE 77 HD2 PHE 77 101.623 0.904 -11.284 7 HE1 PHE 77 HE1 PHE 77 100.802 -1.409 -6.998 8 HE2 PHE 77 HE2 PHE 77 99.352 0.931 -10.294 9 HZ PHE 77 HZ PHE 77 98.935 -0.240 -8.168 No H/Q in entry = 9 In of MODEL 15 1 H GLN 78 H GLN 78 105.168 0.625 -12.942 2 HA GLN 78 HA GLN 78 107.486 -1.140 -13.131 3 HB2 GLN 78 HB2 GLN 78 106.803 1.451 -14.466 4 HB3 GLN 78 HB3 GLN 78 108.413 0.769 -14.528 5 HG2 GLN 78 HG2 GLN 78 107.431 -1.318 -15.435 6 HG3 GLN 78 HG3 GLN 78 105.875 -0.516 -15.499 7 HE21 GLN 78 HE21 GLN 78 108.171 1.790 -16.024 8 HE22 GLN 78 HE22 GLN 78 108.209 1.808 -17.720 No H/Q in entry = 8 In of MODEL 15 1 H VAL 79 H VAL 79 109.115 -0.926 -11.726 2 HA VAL 79 HA VAL 79 108.792 0.589 -9.453 3 HB VAL 79 HB VAL 79 111.440 -0.211 -10.656 No H/Q in entry = 3 In of MODEL 15 1 H SER 80 H SER 80 110.071 1.620 -12.575 2 HA SER 80 HA SER 80 111.200 4.046 -11.538 3 HB2 SER 80 HB2 SER 80 112.107 3.075 -13.574 4 HB3 SER 80 HB3 SER 80 110.544 3.247 -14.363 5 HG SER 80 HG SER 80 110.867 5.348 -14.546 No H/Q in entry = 5 In of MODEL 15 1 H GLN 81 H GLN 81 108.086 3.038 -12.598 2 HA GLN 81 HA GLN 81 107.167 5.818 -12.935 3 HB2 GLN 81 HB2 GLN 81 105.745 3.206 -13.388 4 HB3 GLN 81 HB3 GLN 81 105.120 4.788 -13.750 5 HG2 GLN 81 HG2 GLN 81 107.526 3.486 -15.013 6 HG3 GLN 81 HG3 GLN 81 105.942 3.830 -15.770 7 HE21 GLN 81 HE21 GLN 81 109.050 4.976 -15.722 8 HE22 GLN 81 HE22 GLN 81 108.743 6.617 -16.024 No H/Q in entry = 8 In of MODEL 15 1 H VAL 82 H VAL 82 107.289 3.577 -10.365 2 HA VAL 82 HA VAL 82 104.686 4.392 -9.284 3 HB VAL 82 HB VAL 82 105.711 2.088 -9.197 No H/Q in entry = 3 In of MODEL 15 1 H ILE 83 H ILE 83 104.683 5.096 -6.815 2 HA ILE 83 HA ILE 83 105.710 7.654 -6.730 3 HB ILE 83 HB ILE 83 105.550 6.625 -3.982 4 HD11 ILE 83 HD11 ILE 83 103.465 6.092 -2.888 5 HD12 ILE 83 HD12 ILE 83 102.198 6.669 -3.978 6 HD13 ILE 83 HD13 ILE 83 102.397 4.940 -3.684 No H/Q in entry = 6 In of MODEL 15 1 HA PRO 84 HA PRO 84 110.113 7.393 -5.952 2 HB2 PRO 84 HB2 PRO 84 109.694 9.153 -3.562 3 HB3 PRO 84 HB3 PRO 84 110.826 9.359 -4.908 4 HG2 PRO 84 HG2 PRO 84 108.624 10.829 -4.730 5 HG3 PRO 84 HG3 PRO 84 109.198 10.241 -6.286 6 HD2 PRO 84 HD2 PRO 84 106.942 9.275 -4.650 7 HD3 PRO 84 HD3 PRO 84 107.074 9.339 -6.409 No H/Q in entry = 7 In of MODEL 15 1 H GLY 85 H GLY 85 108.166 7.402 -2.962 2 HA2 GLY 85 HA2 GLY 85 108.278 6.035 -1.108 3 HA3 GLY 85 HA3 GLY 85 110.017 6.097 -1.318 No H/Q in entry = 3 In of MODEL 15 1 H TRP 86 H TRP 86 107.443 4.803 -3.302 2 HA TRP 86 HA TRP 86 107.799 2.039 -2.738 3 HB2 TRP 86 HB2 TRP 86 106.459 3.679 -4.848 4 HB3 TRP 86 HB3 TRP 86 106.645 1.955 -5.140 5 HD1 TRP 86 HD1 TRP 86 105.344 4.125 -2.164 6 HE1 TRP 86 HE1 TRP 86 103.189 3.034 -1.311 7 HE3 TRP 86 HE3 TRP 86 105.139 0.121 -5.255 8 HZ2 TRP 86 HZ2 TRP 86 101.599 0.754 -1.900 9 HZ3 TRP 86 HZ3 TRP 86 103.289 -1.463 -5.100 10 HH2 TRP 86 HH2 TRP 86 101.497 -1.171 -3.422 No H/Q in entry = 10 In of MODEL 15 1 H THR 87 H THR 87 109.266 4.165 -5.175 2 HA THR 87 HA THR 87 110.263 2.347 -6.941 3 HB THR 87 HB THR 87 111.735 4.770 -5.908 4 HG1 THR 87 HG1 THR 87 110.410 5.221 -8.136 5 HG21 THR 87 HG21 THR 87 112.950 3.143 -7.484 6 HG22 THR 87 HG22 THR 87 111.770 3.627 -8.680 7 HG23 THR 87 HG23 THR 87 112.838 4.811 -8.002 No H/Q in entry = 7 In of MODEL 15 1 H GLU 88 H GLU 88 112.019 3.537 -4.082 2 HA GLU 88 HA GLU 88 114.107 1.616 -4.427 3 HB2 GLU 88 HB2 GLU 88 113.545 3.894 -2.731 4 HB3 GLU 88 HB3 GLU 88 114.345 2.613 -1.823 5 HG2 GLU 88 HG2 GLU 88 116.128 2.529 -3.520 6 HG3 GLU 88 HG3 GLU 88 115.308 3.770 -4.462 No H/Q in entry = 6 In of MODEL 15 1 H ALA 89 H ALA 89 111.291 1.759 -2.288 2 HA ALA 89 HA ALA 89 111.933 -0.362 -0.603 3 HB1 ALA 89 HB1 ALA 89 109.256 0.571 -1.617 4 HB2 ALA 89 HB2 ALA 89 110.065 1.032 -0.120 5 HB3 ALA 89 HB3 ALA 89 109.475 -0.609 -0.333 No H/Q in entry = 5 In of MODEL 15 1 H LEU 90 H LEU 90 110.161 -0.570 -3.731 2 HA LEU 90 HA LEU 90 109.463 -3.277 -3.604 3 HB2 LEU 90 HB2 LEU 90 110.231 -1.613 -6.013 4 HB3 LEU 90 HB3 LEU 90 109.421 -3.163 -6.084 5 HG LEU 90 HG LEU 90 108.296 -0.846 -4.509 6 HD11 LEU 90 HD11 LEU 90 107.892 -1.549 -7.409 7 HD12 LEU 90 HD12 LEU 90 106.879 -0.422 -6.537 8 HD13 LEU 90 HD13 LEU 90 108.585 -0.073 -6.775 9 HD21 LEU 90 HD21 LEU 90 107.235 -3.449 -5.554 10 HD22 LEU 90 HD22 LEU 90 107.200 -2.847 -3.913 11 HD23 LEU 90 HD23 LEU 90 106.157 -2.143 -5.140 No H/Q in entry = 11 In of MODEL 15 1 H GLN 91 H GLN 91 112.396 -1.733 -4.790 2 HA GLN 91 HA GLN 91 113.667 -3.994 -5.825 3 HB2 GLN 91 HB2 GLN 91 114.830 -1.438 -4.732 4 HB3 GLN 91 HB3 GLN 91 115.687 -2.587 -5.756 5 HG2 GLN 91 HG2 GLN 91 114.077 -2.225 -7.558 6 HG3 GLN 91 HG3 GLN 91 113.137 -1.151 -6.518 7 HE21 GLN 91 HE21 GLN 91 113.463 0.930 -7.253 8 HE22 GLN 91 HE22 GLN 91 114.974 1.606 -7.630 No H/Q in entry = 8 In of MODEL 15 1 H LEU 92 H LEU 92 113.175 -2.921 -2.612 2 HA LEU 92 HA LEU 92 115.332 -4.677 -1.581 3 HB2 LEU 92 HB2 LEU 92 113.720 -2.574 -0.119 4 HB3 LEU 92 HB3 LEU 92 115.116 -3.449 0.506 5 HG LEU 92 HG LEU 92 115.199 -1.633 -1.906 6 HD11 LEU 92 HD11 LEU 92 115.946 -1.144 0.959 7 HD12 LEU 92 HD12 LEU 92 116.406 -0.100 -0.387 8 HD13 LEU 92 HD13 LEU 92 114.706 -0.317 0.017 9 HD21 LEU 92 HD21 LEU 92 117.267 -3.149 -0.354 10 HD22 LEU 92 HD22 LEU 92 116.989 -3.156 -2.095 11 HD23 LEU 92 HD23 LEU 92 117.689 -1.740 -1.321 No H/Q in entry = 11 In of MODEL 15 1 H MET 93 H MET 93 111.978 -4.509 -2.040 2 HA MET 93 HA MET 93 111.313 -6.202 0.228 3 HB2 MET 93 HB2 MET 93 109.744 -4.493 -0.432 4 HB3 MET 93 HB3 MET 93 109.683 -5.151 -2.067 5 HG2 MET 93 HG2 MET 93 108.539 -7.088 -1.387 6 HG3 MET 93 HG3 MET 93 108.993 -6.885 0.307 7 HE1 MET 93 HE1 MET 93 107.489 -5.457 -2.683 8 HE2 MET 93 HE2 MET 93 105.816 -5.787 -2.263 9 HE3 MET 93 HE3 MET 93 106.439 -4.145 -2.165 No H/Q in entry = 9 In of MODEL 15 1 HA PRO 94 HA PRO 94 112.194 -9.856 -2.476 2 HB2 PRO 94 HB2 PRO 94 111.534 -11.361 -0.033 3 HB3 PRO 94 HB3 PRO 94 113.002 -11.417 -1.033 4 HG2 PRO 94 HG2 PRO 94 112.994 -10.307 1.395 5 HG3 PRO 94 HG3 PRO 94 113.955 -9.633 0.067 6 HD2 PRO 94 HD2 PRO 94 111.326 -8.706 1.131 7 HD3 PRO 94 HD3 PRO 94 112.740 -7.774 0.659 No H/Q in entry = 7 In of MODEL 15 1 H ALA 95 H ALA 95 110.913 -11.407 -3.498 2 HA ALA 95 HA ALA 95 108.131 -10.944 -3.498 3 HB1 ALA 95 HB1 ALA 95 107.968 -12.981 -4.891 4 HB2 ALA 95 HB2 ALA 95 109.089 -11.767 -5.495 5 HB3 ALA 95 HB3 ALA 95 109.708 -13.198 -4.663 No H/Q in entry = 5 In of MODEL 15 1 H GLY 96 H GLY 96 106.501 -11.732 -2.464 2 HA2 GLY 96 HA2 GLY 96 106.788 -14.192 -0.889 3 HA3 GLY 96 HA3 GLY 96 105.289 -13.351 -1.288 No H/Q in entry = 3 In of MODEL 15 1 H SER 97 H SER 97 107.916 -11.357 -0.399 2 HA SER 97 HA SER 97 107.249 -11.317 2.430 3 HB2 SER 97 HB2 SER 97 109.611 -11.052 1.521 4 HB3 SER 97 HB3 SER 97 109.126 -9.462 0.951 5 HG SER 97 HG SER 97 110.066 -9.837 3.223 No H/Q in entry = 5 In of MODEL 15 1 H THR 98 H THR 98 105.876 -9.987 3.346 2 HA THR 98 HA THR 98 104.661 -7.854 1.730 3 HB THR 98 HB THR 98 103.666 -9.115 4.290 4 HG1 THR 98 HG1 THR 98 102.981 -10.609 3.004 5 HG21 THR 98 HG21 THR 98 102.483 -7.140 2.326 6 HG22 THR 98 HG22 THR 98 101.562 -7.987 3.570 7 HG23 THR 98 HG23 THR 98 102.852 -6.883 4.028 No H/Q in entry = 7 In of MODEL 15 1 H TRP 99 H TRP 99 105.483 -5.917 2.052 2 HA TRP 99 HA TRP 99 106.481 -5.235 4.753 3 HB2 TRP 99 HB2 TRP 99 107.273 -4.192 2.030 4 HB3 TRP 99 HB3 TRP 99 107.772 -3.437 3.530 5 HD1 TRP 99 HD1 TRP 99 107.757 -7.169 3.837 6 HE1 TRP 99 HE1 TRP 99 110.127 -8.084 3.688 7 HE3 TRP 99 HE3 TRP 99 110.125 -2.951 2.260 8 HZ2 TRP 99 HZ2 TRP 99 112.750 -7.120 3.002 9 HZ3 TRP 99 HZ3 TRP 99 112.581 -2.970 1.881 10 HH2 TRP 99 HH2 TRP 99 113.896 -5.042 2.256 No H/Q in entry = 10 In of MODEL 15 1 H GLU 100 H GLU 100 106.421 -2.934 5.224 2 HA GLU 100 HA GLU 100 104.102 -1.486 4.127 3 HB2 GLU 100 HB2 GLU 100 104.806 -1.892 7.032 4 HB3 GLU 100 HB3 GLU 100 103.901 -0.478 6.504 5 HG2 GLU 100 HG2 GLU 100 102.187 -1.856 5.544 6 HG3 GLU 100 HG3 GLU 100 103.073 -3.322 5.912 No H/Q in entry = 6 In of MODEL 15 1 H ILE 101 H ILE 101 104.762 0.443 3.359 2 HA ILE 101 HA ILE 101 107.198 1.563 4.506 3 HB ILE 101 HB ILE 101 108.089 2.132 2.469 4 HD11 ILE 101 HD11 ILE 101 108.103 2.806 0.246 5 HD12 ILE 101 HD12 ILE 101 107.415 1.281 -0.300 6 HD13 ILE 101 HD13 ILE 101 106.661 2.799 -0.752 No H/Q in entry = 6 In of MODEL 15 1 H TYR 102 H TYR 102 107.185 3.544 5.139 2 HA TYR 102 HA TYR 102 104.617 4.989 4.965 3 HB2 TYR 102 HB2 TYR 102 106.935 5.366 6.866 4 HB3 TYR 102 HB3 TYR 102 105.364 6.099 7.004 5 HD1 TYR 102 HD1 TYR 102 106.498 2.513 6.409 6 HD2 TYR 102 HD2 TYR 102 104.211 5.202 8.848 7 HE1 TYR 102 HE1 TYR 102 105.711 0.625 7.707 8 HE2 TYR 102 HE2 TYR 102 103.421 3.278 10.189 9 HH TYR 102 HH TYR 102 104.170 -0.045 9.265 No H/Q in entry = 9 In of MODEL 15 1 H VAL 103 H VAL 103 104.783 6.197 3.210 2 HA VAL 103 HA VAL 103 107.290 7.290 2.387 3 HB VAL 103 HB VAL 103 104.708 7.747 1.009 No H/Q in entry = 3 In of MODEL 15 1 HA PRO 104 HA PRO 104 106.675 11.318 4.330 2 HB2 PRO 104 HB2 PRO 104 108.886 11.929 2.401 3 HB3 PRO 104 HB3 PRO 104 108.772 12.306 4.132 4 HG2 PRO 104 HG2 PRO 104 110.340 10.330 3.221 5 HG3 PRO 104 HG3 PRO 104 109.497 10.207 4.769 6 HD2 PRO 104 HD2 PRO 104 108.923 8.830 2.214 7 HD3 PRO 104 HD3 PRO 104 108.581 8.333 3.887 No H/Q in entry = 7 In of MODEL 15 1 H SER 105 H SER 105 105.632 13.163 3.617 2 HA SER 105 HA SER 105 104.050 13.017 1.380 3 HB2 SER 105 HB2 SER 105 103.424 15.273 1.819 4 HB3 SER 105 HB3 SER 105 103.821 14.558 3.376 5 HG SER 105 HG SER 105 104.942 16.661 2.162 No H/Q in entry = 5 In of MODEL 15 1 H GLY 106 H GLY 106 107.361 14.035 1.595 2 HA2 GLY 106 HA2 GLY 106 108.800 14.999 0.051 3 HA3 GLY 106 HA3 GLY 106 107.404 15.465 -0.916 No H/Q in entry = 3 In of MODEL 15 1 H LEU 107 H LEU 107 107.919 12.217 0.206 2 HA LEU 107 HA LEU 107 108.889 11.352 -2.450 3 HB2 LEU 107 HB2 LEU 107 108.707 9.751 0.112 4 HB3 LEU 107 HB3 LEU 107 109.534 9.287 -1.347 5 HG LEU 107 HG LEU 107 110.278 11.508 0.546 6 HD11 LEU 107 HD11 LEU 107 111.682 9.007 -0.371 7 HD12 LEU 107 HD12 LEU 107 112.383 10.215 0.697 8 HD13 LEU 107 HD13 LEU 107 110.980 9.287 1.216 9 HD21 LEU 107 HD21 LEU 107 111.117 11.039 -2.284 10 HD22 LEU 107 HD22 LEU 107 110.890 12.557 -1.429 11 HD23 LEU 107 HD23 LEU 107 112.332 11.594 -1.142 No H/Q in entry = 11 In of MODEL 15 1 H ALA 108 H ALA 108 105.987 11.807 -0.995 2 HA ALA 108 HA ALA 108 104.815 9.323 -2.010 3 HB1 ALA 108 HB1 ALA 108 103.520 11.360 -0.200 4 HB2 ALA 108 HB2 ALA 108 102.966 9.736 -0.570 5 HB3 ALA 108 HB3 ALA 108 104.413 9.981 0.380 No H/Q in entry = 5 In of MODEL 15 1 H TYR 109 H TYR 109 102.749 12.037 -1.472 2 HA TYR 109 HA TYR 109 102.398 12.246 -4.358 3 HB2 TYR 109 HB2 TYR 109 100.475 12.370 -2.093 4 HB3 TYR 109 HB3 TYR 109 100.045 13.056 -3.665 5 HD1 TYR 109 HD1 TYR 109 100.220 10.052 -1.801 6 HD2 TYR 109 HD2 TYR 109 100.628 11.592 -5.768 7 HE1 TYR 109 HE1 TYR 109 99.961 7.807 -2.702 8 HE2 TYR 109 HE2 TYR 109 100.439 9.334 -6.691 9 HH TYR 109 HH TYR 109 100.031 6.529 -4.463 No H/Q in entry = 9 In of MODEL 15 1 H GLY 110 H GLY 110 103.959 13.968 -2.148 2 HA2 GLY 110 HA2 GLY 110 103.346 16.517 -3.542 3 HA3 GLY 110 HA3 GLY 110 104.915 16.066 -2.909 No H/Q in entry = 3 In of MODEL 15 1 HA PRO 111 HA PRO 111 104.122 18.181 0.862 2 HB2 PRO 111 HB2 PRO 111 104.773 20.744 0.265 3 HB3 PRO 111 HB3 PRO 111 105.981 19.456 0.372 4 HG2 PRO 111 HG2 PRO 111 104.704 20.625 -2.055 5 HG3 PRO 111 HG3 PRO 111 106.399 20.199 -1.772 6 HD2 PRO 111 HD2 PRO 111 104.693 18.599 -3.165 7 HD3 PRO 111 HD3 PRO 111 106.039 17.949 -2.215 No H/Q in entry = 7 In of MODEL 15 1 H ARG 112 H ARG 112 102.393 19.114 -1.960 2 HA ARG 112 HA ARG 112 100.438 20.713 -0.421 3 HB2 ARG 112 HB2 ARG 112 101.073 20.494 -3.359 4 HB3 ARG 112 HB3 ARG 112 99.557 21.197 -2.800 5 HG2 ARG 112 HG2 ARG 112 100.864 22.817 -1.422 6 HG3 ARG 112 HG3 ARG 112 102.351 22.155 -2.106 7 HD2 ARG 112 HD2 ARG 112 101.667 22.777 -4.348 8 HD3 ARG 112 HD3 ARG 112 100.089 23.292 -3.760 9 HE ARG 112 HE ARG 112 102.192 24.722 -2.453 10 HH11 ARG 112 HH11 ARG 112 100.439 24.401 -5.410 11 HH12 ARG 112 HH12 ARG 112 100.618 26.062 -5.867 12 HH21 ARG 112 HH21 ARG 112 102.438 26.905 -3.031 13 HH22 ARG 112 HH22 ARG 112 101.730 27.494 -4.497 No H/Q in entry = 13 In of MODEL 15 1 H SER 113 H SER 113 98.139 20.418 -1.255 2 HA SER 113 HA SER 113 97.401 17.685 -0.842 3 HB2 SER 113 HB2 SER 113 95.547 19.834 -1.850 4 HB3 SER 113 HB3 SER 113 95.190 18.454 -0.818 5 HG SER 113 HG SER 113 95.768 19.593 0.840 No H/Q in entry = 5 In of MODEL 15 1 H VAL 114 H VAL 114 98.110 16.389 -2.523 2 HA VAL 114 HA VAL 114 97.204 17.096 -5.265 3 HB VAL 114 HB VAL 114 99.280 15.030 -4.549 No H/Q in entry = 3 In of MODEL 15 1 H GLY 115 H GLY 115 95.085 16.230 -4.071 2 HA2 GLY 115 HA2 GLY 115 94.832 13.390 -3.817 3 HA3 GLY 115 HA3 GLY 115 94.223 13.952 -5.365 No H/Q in entry = 3 In of MODEL 15 1 H GLY 116 H GLY 116 92.510 12.712 -3.685 2 HA2 GLY 116 HA2 GLY 116 90.351 12.944 -2.895 3 HA3 GLY 116 HA3 GLY 116 90.446 14.642 -3.310 No H/Q in entry = 3 In of MODEL 15 1 HA PRO 117 HA PRO 117 90.209 14.352 1.341 2 HB2 PRO 117 HB2 PRO 117 91.153 12.121 2.631 3 HB3 PRO 117 HB3 PRO 117 89.498 12.285 2.035 4 HG2 PRO 117 HG2 PRO 117 91.837 11.007 0.714 5 HG3 PRO 117 HG3 PRO 117 90.196 10.390 0.882 6 HD2 PRO 117 HD2 PRO 117 90.991 11.446 -1.403 7 HD3 PRO 117 HD3 PRO 117 89.373 11.837 -0.772 No H/Q in entry = 7 In of MODEL 15 1 H ILE 118 H ILE 118 93.094 13.249 -0.199 2 HA ILE 118 HA ILE 118 94.937 13.778 1.893 3 HB ILE 118 HB ILE 118 95.498 14.083 -1.063 4 HD11 ILE 118 HD11 ILE 118 93.879 12.622 -1.746 5 HD12 ILE 118 HD12 ILE 118 95.118 11.559 -2.404 6 HD13 ILE 118 HD13 ILE 118 93.889 10.922 -1.341 No H/Q in entry = 6 In of MODEL 15 1 H GLY 119 H GLY 119 95.090 15.692 2.823 2 HA2 GLY 119 HA2 GLY 119 94.806 17.965 3.120 3 HA3 GLY 119 HA3 GLY 119 94.523 18.161 1.399 No H/Q in entry = 3 In of MODEL 15 1 HA PRO 120 HA PRO 120 98.624 19.816 1.191 2 HB2 PRO 120 HB2 PRO 120 99.066 21.538 3.313 3 HB3 PRO 120 HB3 PRO 120 98.160 21.967 1.856 4 HG2 PRO 120 HG2 PRO 120 97.148 21.112 4.517 5 HG3 PRO 120 HG3 PRO 120 96.515 22.330 3.420 6 HD2 PRO 120 HD2 PRO 120 95.402 19.891 3.699 7 HD3 PRO 120 HD3 PRO 120 95.386 20.747 2.144 No H/Q in entry = 7 In of MODEL 15 1 H ASN 121 H ASN 121 100.787 19.525 1.789 2 HA ASN 121 HA ASN 121 102.450 18.160 2.648 3 HB2 ASN 121 HB2 ASN 121 102.205 20.367 4.008 4 HB3 ASN 121 HB3 ASN 121 101.605 19.323 5.294 5 HD21 ASN 121 HD21 ASN 121 103.215 18.509 6.643 6 HD22 ASN 121 HD22 ASN 121 104.847 18.331 6.215 No H/Q in entry = 6 In of MODEL 15 1 H GLU 122 H GLU 122 100.497 16.425 2.280 2 HA GLU 122 HA GLU 122 99.954 15.034 4.815 3 HB2 GLU 122 HB2 GLU 122 98.880 14.818 2.025 4 HB3 GLU 122 HB3 GLU 122 98.645 13.499 3.165 5 HG2 GLU 122 HG2 GLU 122 97.811 16.364 3.640 6 HG3 GLU 122 HG3 GLU 122 96.755 15.071 3.095 No H/Q in entry = 6 In of MODEL 15 1 H THR 123 H THR 123 100.922 13.255 5.421 2 HA THR 123 HA THR 123 102.905 12.011 3.621 3 HB THR 123 HB THR 123 102.392 11.634 6.578 4 HG1 THR 123 HG1 THR 123 103.927 13.050 6.863 5 HG21 THR 123 HG21 THR 123 103.275 9.612 5.432 6 HG22 THR 123 HG22 THR 123 104.586 10.581 4.803 7 HG23 THR 123 HG23 THR 123 104.451 10.305 6.537 No H/Q in entry = 7 In of MODEL 15 1 H LEU 124 H LEU 124 102.407 10.173 2.636 2 HA LEU 124 HA LEU 124 99.985 8.688 3.520 3 HB2 LEU 124 HB2 LEU 124 101.287 8.798 0.781 4 HB3 LEU 124 HB3 LEU 124 99.851 7.877 1.188 5 HG LEU 124 HG LEU 124 98.959 9.788 0.172 6 HD11 LEU 124 HD11 LEU 124 98.037 9.452 2.475 7 HD12 LEU 124 HD12 LEU 124 99.106 10.744 2.994 8 HD13 LEU 124 HD13 LEU 124 97.862 11.081 1.821 9 HD21 LEU 124 HD21 LEU 124 101.092 10.999 -0.028 10 HD22 LEU 124 HD22 LEU 124 99.761 12.049 0.453 11 HD23 LEU 124 HD23 LEU 124 100.927 11.510 1.635 No H/Q in entry = 11 In of MODEL 15 1 H ILE 125 H ILE 125 100.091 6.537 3.843 2 HA ILE 125 HA ILE 125 102.712 5.193 3.556 3 HB ILE 125 HB ILE 125 102.328 5.314 5.897 4 HD11 ILE 125 HD11 ILE 125 102.097 3.728 7.558 5 HD12 ILE 125 HD12 ILE 125 101.293 2.196 7.265 6 HD13 ILE 125 HD13 ILE 125 103.025 2.344 7.019 No H/Q in entry = 6 In of MODEL 15 1 H PHE 126 H PHE 126 102.657 3.100 2.775 2 HA PHE 126 HA PHE 126 100.032 2.051 2.023 3 HB2 PHE 126 HB2 PHE 126 102.333 1.744 0.125 4 HB3 PHE 126 HB3 PHE 126 100.592 1.598 -0.170 5 HD1 PHE 126 HD1 PHE 126 99.439 3.407 -1.102 6 HD2 PHE 126 HD2 PHE 126 103.131 4.056 0.958 7 HE1 PHE 126 HE1 PHE 126 99.356 5.811 -1.705 8 HE2 PHE 126 HE2 PHE 126 103.042 6.443 0.375 9 HZ PHE 126 HZ PHE 126 101.175 7.330 -0.947 No H/Q in entry = 9 In of MODEL 15 1 H LYS 127 H LYS 127 99.846 -0.142 2.025 2 HA LYS 127 HA LYS 127 102.034 -1.584 3.315 3 HB2 LYS 127 HB2 LYS 127 99.506 -3.048 2.997 4 HB3 LYS 127 HB3 LYS 127 100.406 -2.728 4.458 5 HG2 LYS 127 HG2 LYS 127 98.537 -0.769 3.122 6 HG3 LYS 127 HG3 LYS 127 98.122 -1.765 4.502 7 HD2 LYS 127 HD2 LYS 127 99.746 -0.629 5.922 8 HD3 LYS 127 HD3 LYS 127 100.394 0.258 4.561 9 HE2 LYS 127 HE2 LYS 127 98.271 1.432 4.279 10 HE3 LYS 127 HE3 LYS 127 97.548 0.475 5.570 11 HZ1 LYS 127 HZ1 LYS 127 99.739 1.445 6.762 12 HZ2 LYS 127 HZ2 LYS 127 99.356 2.724 5.713 13 HZ3 LYS 127 HZ3 LYS 127 98.215 2.178 6.837 No H/Q in entry = 13 In of MODEL 15 1 H ILE 128 H ILE 128 103.278 -2.799 1.997 2 HA ILE 128 HA ILE 128 102.059 -3.426 -0.650 3 HB ILE 128 HB ILE 128 105.033 -3.199 -0.233 4 HD11 ILE 128 HD11 ILE 128 105.172 -0.721 -2.050 5 HD12 ILE 128 HD12 ILE 128 104.908 0.558 -0.878 6 HD13 ILE 128 HD13 ILE 128 106.044 -0.726 -0.515 No H/Q in entry = 6 In of MODEL 15 1 H HIS 129 H HIS 129 101.665 -5.352 -1.114 2 HA HIS 129 HA HIS 129 103.145 -7.592 0.118 3 HB2 HIS 129 HB2 HIS 129 100.782 -7.633 0.663 4 HB3 HIS 129 HB3 HIS 129 100.360 -7.391 -1.031 5 HD2 HIS 129 HD2 HIS 129 103.037 -10.097 0.135 6 HE1 HIS 129 HE1 HIS 129 99.780 -12.027 -1.758 7 HE2 HIS 129 HE2 HIS 129 102.111 -12.359 -0.833 No H/Q in entry = 7 In of MODEL 15 1 H LEU 130 H LEU 130 104.522 -8.639 -1.255 2 HA LEU 130 HA LEU 130 104.239 -8.102 -4.116 3 HB2 LEU 130 HB2 LEU 130 106.441 -8.153 -2.467 4 HB3 LEU 130 HB3 LEU 130 106.522 -9.693 -3.261 5 HG LEU 130 HG LEU 130 106.274 -7.058 -4.661 6 HD11 LEU 130 HD11 LEU 130 108.619 -8.895 -4.260 7 HD12 LEU 130 HD12 LEU 130 108.607 -7.627 -5.465 8 HD13 LEU 130 HD13 LEU 130 108.482 -7.222 -3.757 9 HD21 LEU 130 HD21 LEU 130 105.237 -8.917 -5.951 10 HD22 LEU 130 HD22 LEU 130 106.692 -8.337 -6.709 11 HD23 LEU 130 HD23 LEU 130 106.744 -9.824 -5.795 No H/Q in entry = 11 In of MODEL 15 1 H ILE 131 H ILE 131 103.066 -9.411 -5.311 2 HA ILE 131 HA ILE 131 102.857 -12.247 -4.604 3 HB ILE 131 HB ILE 131 101.319 -10.500 -6.545 4 HD11 ILE 131 HD11 ILE 131 100.225 -8.989 -5.166 5 HD12 ILE 131 HD12 ILE 131 99.686 -9.405 -3.543 6 HD13 ILE 131 HD13 ILE 131 101.403 -9.266 -3.882 No H/Q in entry = 6 In of MODEL 15 1 H SER 132 H SER 132 103.688 -10.191 -7.435 2 HA SER 132 HA SER 132 105.442 -12.344 -8.389 3 HB2 SER 132 HB2 SER 132 104.278 -12.868 -10.273 4 HB3 SER 132 HB3 SER 132 102.910 -12.205 -9.388 5 HG SER 132 HG SER 132 104.475 -11.059 -11.417 No H/Q in entry = 5 In of MODEL 15 1 H VAL 133 H VAL 133 106.967 -11.689 -9.997 2 HA VAL 133 HA VAL 133 107.388 -8.760 -10.180 3 HB VAL 133 HB VAL 133 109.502 -10.871 -9.668 No H/Q in entry = 3 In of MODEL 15 1 H LYS 134 H LYS 134 108.163 -7.968 -12.083 2 HA LYS 134 HA LYS 134 108.227 -9.800 -14.374 3 HB2 LYS 134 HB2 LYS 134 106.850 -7.545 -14.051 4 HB3 LYS 134 HB3 LYS 134 108.368 -6.859 -14.619 5 HG2 LYS 134 HG2 LYS 134 107.296 -7.196 -16.657 6 HG3 LYS 134 HG3 LYS 134 108.152 -8.730 -16.504 7 HD2 LYS 134 HD2 LYS 134 106.062 -9.602 -15.316 8 HD3 LYS 134 HD3 LYS 134 105.253 -8.151 -15.899 9 HE2 LYS 134 HE2 LYS 134 106.451 -9.062 -18.215 10 HE3 LYS 134 HE3 LYS 134 106.047 -10.574 -17.402 11 HZ1 LYS 134 HZ1 LYS 134 104.043 -8.429 -17.518 12 HZ2 LYS 134 HZ2 LYS 134 104.308 -9.393 -18.891 13 HZ3 LYS 134 HZ3 LYS 134 103.826 -10.112 -17.434 No H/Q in entry = 13 In of MODEL 15 1 H LYS 135 H LYS 135 109.573 -7.867 -15.970 2 HA LYS 135 HA LYS 135 112.115 -7.121 -15.051 3 HB2 LYS 135 HB2 LYS 135 111.964 -9.850 -15.342 4 HB3 LYS 135 HB3 LYS 135 112.615 -9.370 -16.882 5 HG2 LYS 135 HG2 LYS 135 113.781 -8.390 -14.268 6 HG3 LYS 135 HG3 LYS 135 114.274 -9.901 -15.032 7 HD2 LYS 135 HD2 LYS 135 114.298 -7.343 -16.598 8 HD3 LYS 135 HD3 LYS 135 115.636 -7.725 -15.530 9 HE2 LYS 135 HE2 LYS 135 114.644 -9.561 -17.726 10 HE3 LYS 135 HE3 LYS 135 115.997 -8.460 -17.898 11 HZ1 LYS 135 HZ1 LYS 135 116.154 -10.120 -15.555 12 HZ2 LYS 135 HZ2 LYS 135 116.152 -10.999 -17.005 13 HZ3 LYS 135 HZ3 LYS 135 117.323 -9.797 -16.744 No H/Q in entry = 13 In of MODEL 15 1 H SER 136 H SER 136 113.019 -5.740 -16.348 2 HA SER 136 HA SER 136 111.664 -4.750 -18.606 3 HB2 SER 136 HB2 SER 136 113.138 -3.063 -18.295 4 HB3 SER 136 HB3 SER 136 113.967 -4.039 -17.085 5 HG SER 136 HG SER 136 115.437 -3.558 -18.667 No H/Q in entry = 5 In of MODEL 15 1 H SER 137 H SER 137 114.940 -6.180 -18.751 2 HA SER 137 HA SER 137 114.493 -6.940 -21.515 3 HB2 SER 137 HB2 SER 137 116.848 -7.190 -19.648 4 HB3 SER 137 HB3 SER 137 116.850 -7.889 -21.264 5 HG SER 137 HG SER 137 117.261 -5.352 -20.516 No H/Q in entry = 5 In of MODEL 16 1 H1 PHE 1 H1 PHE 1 95.231 27.988 4.710 2 H2 PHE 1 H2 PHE 1 95.876 29.554 4.583 3 H3 PHE 1 H3 PHE 1 94.739 29.015 3.447 4 HA PHE 1 HA PHE 1 96.219 27.836 2.271 5 HB2 PHE 1 HB2 PHE 1 97.131 30.071 2.240 6 HB3 PHE 1 HB3 PHE 1 97.898 29.831 3.808 7 HD1 PHE 1 HD1 PHE 1 97.770 27.909 0.560 8 HD2 PHE 1 HD2 PHE 1 100.216 29.616 3.656 9 HE1 PHE 1 HE1 PHE 1 99.801 27.063 -0.574 10 HE2 PHE 1 HE2 PHE 1 102.245 28.768 2.516 11 HZ PHE 1 HZ PHE 1 102.039 27.491 0.401 No H/Q in entry = 11 In of MODEL 16 1 H ASN 2 H ASN 2 98.945 28.238 4.270 2 HA ASN 2 HA ASN 2 99.354 25.432 4.532 3 HB2 ASN 2 HB2 ASN 2 100.799 27.877 5.464 4 HB3 ASN 2 HB3 ASN 2 101.255 26.313 6.128 5 HD21 ASN 2 HD21 ASN 2 103.287 27.343 4.735 6 HD22 ASN 2 HD22 ASN 2 103.408 26.688 3.173 No H/Q in entry = 6 In of MODEL 16 1 H LYS 3 H LYS 3 97.674 27.713 6.437 2 HA LYS 3 HA LYS 3 98.028 26.938 9.031 3 HB2 LYS 3 HB2 LYS 3 95.820 27.734 9.473 4 HB3 LYS 3 HB3 LYS 3 96.392 28.658 8.085 5 HG2 LYS 3 HG2 LYS 3 95.228 26.996 6.586 6 HG3 LYS 3 HG3 LYS 3 94.552 26.245 8.027 7 HD2 LYS 3 HD2 LYS 3 93.454 28.348 8.624 8 HD3 LYS 3 HD3 LYS 3 94.082 29.090 7.147 9 HE2 LYS 3 HE2 LYS 3 92.925 27.449 5.786 10 HE3 LYS 3 HE3 LYS 3 92.415 26.573 7.232 11 HZ1 LYS 3 HZ1 LYS 3 91.712 29.418 6.925 12 HZ2 LYS 3 HZ2 LYS 3 90.808 28.244 6.090 13 HZ3 LYS 3 HZ3 LYS 3 90.904 28.201 7.786 No H/Q in entry = 13 In of MODEL 16 1 H LYS 4 H LYS 4 96.050 25.271 6.583 2 HA LYS 4 HA LYS 4 95.221 23.224 8.412 3 HB2 LYS 4 HB2 LYS 4 94.187 24.032 6.095 4 HB3 LYS 4 HB3 LYS 4 95.175 22.721 5.458 5 HG2 LYS 4 HG2 LYS 4 93.123 22.482 7.672 6 HG3 LYS 4 HG3 LYS 4 92.913 21.934 6.014 7 HD2 LYS 4 HD2 LYS 4 94.996 20.465 6.404 8 HD3 LYS 4 HD3 LYS 4 94.781 20.845 8.116 9 HE2 LYS 4 HE2 LYS 4 92.348 20.084 7.826 10 HE3 LYS 4 HE3 LYS 4 92.873 19.376 6.300 11 HZ1 LYS 4 HZ1 LYS 4 94.409 18.811 8.739 12 HZ2 LYS 4 HZ2 LYS 4 92.938 17.997 8.489 13 HZ3 LYS 4 HZ3 LYS 4 94.191 17.850 7.355 No H/Q in entry = 13 In of MODEL 16 1 H ALA 5 H ALA 5 97.613 23.552 5.881 2 HA ALA 5 HA ALA 5 98.674 21.030 5.623 3 HB1 ALA 5 HB1 ALA 5 100.615 22.111 4.787 4 HB2 ALA 5 HB2 ALA 5 100.315 23.545 5.746 5 HB3 ALA 5 HB3 ALA 5 99.275 23.174 4.388 No H/Q in entry = 5 In of MODEL 16 1 H ASP 6 H ASP 6 99.041 23.361 8.150 2 HA ASP 6 HA ASP 6 101.283 22.277 9.428 3 HB2 ASP 6 HB2 ASP 6 98.990 23.880 10.462 4 HB3 ASP 6 HB3 ASP 6 100.381 23.427 11.435 No H/Q in entry = 4 In of MODEL 16 1 H GLU 7 H GLU 7 97.801 21.560 9.695 2 HA GLU 7 HA GLU 7 97.990 19.850 11.933 3 HB2 GLU 7 HB2 GLU 7 96.024 19.479 9.723 4 HB3 GLU 7 HB3 GLU 7 95.814 19.142 11.439 5 HG2 GLU 7 HG2 GLU 7 96.076 21.604 11.857 6 HG3 GLU 7 HG3 GLU 7 96.036 21.846 10.115 No H/Q in entry = 6 In of MODEL 16 1 H ASN 8 H ASN 8 97.879 19.114 8.497 2 HA ASN 8 HA ASN 8 98.258 16.305 8.764 3 HB2 ASN 8 HB2 ASN 8 99.194 17.989 6.448 4 HB3 ASN 8 HB3 ASN 8 98.661 16.323 6.439 5 HD21 ASN 8 HD21 ASN 8 97.399 17.808 4.644 6 HD22 ASN 8 HD22 ASN 8 95.833 18.230 5.140 No H/Q in entry = 6 In of MODEL 16 1 H LYS 9 H LYS 9 100.304 19.042 8.537 2 HA LYS 9 HA LYS 9 102.815 17.774 8.224 3 HB2 LYS 9 HB2 LYS 9 102.605 20.046 7.657 4 HB3 LYS 9 HB3 LYS 9 101.870 20.411 9.185 5 HG2 LYS 9 HG2 LYS 9 103.930 20.169 10.354 6 HG3 LYS 9 HG3 LYS 9 104.718 19.567 8.898 7 HD2 LYS 9 HD2 LYS 9 104.247 21.760 7.800 8 HD3 LYS 9 HD3 LYS 9 103.573 22.331 9.320 9 HE2 LYS 9 HE2 LYS 9 105.735 21.937 10.438 10 HE3 LYS 9 HE3 LYS 9 106.421 21.392 8.908 11 HZ1 LYS 9 HZ1 LYS 9 105.088 23.945 8.777 12 HZ2 LYS 9 HZ2 LYS 9 106.458 23.933 9.776 13 HZ3 LYS 9 HZ3 LYS 9 106.592 23.470 8.147 No H/Q in entry = 13 In of MODEL 16 1 H VAL 10 H VAL 10 101.191 19.034 11.202 2 HA VAL 10 HA VAL 10 103.328 18.213 12.899 3 HB VAL 10 HB VAL 10 100.451 18.858 13.518 No H/Q in entry = 3 In of MODEL 16 1 H LYS 11 H LYS 11 100.191 16.707 12.166 2 HA LYS 11 HA LYS 11 100.624 14.426 13.765 3 HB2 LYS 11 HB2 LYS 11 98.880 14.984 11.407 4 HB3 LYS 11 HB3 LYS 11 98.951 13.392 12.123 5 HG2 LYS 11 HG2 LYS 11 97.146 14.345 13.268 6 HG3 LYS 11 HG3 LYS 11 98.474 14.640 14.380 7 HD2 LYS 11 HD2 LYS 11 98.726 16.906 13.149 8 HD3 LYS 11 HD3 LYS 11 97.126 16.583 12.506 9 HE2 LYS 11 HE2 LYS 11 97.975 17.130 15.324 10 HE3 LYS 11 HE3 LYS 11 96.594 17.769 14.438 11 HZ1 LYS 11 HZ1 LYS 11 95.668 15.465 14.483 12 HZ2 LYS 11 HZ2 LYS 11 96.907 15.047 15.568 13 HZ3 LYS 11 HZ3 LYS 11 95.764 16.224 15.999 No H/Q in entry = 13 In of MODEL 16 1 H GLY 12 H GLY 12 101.453 15.350 10.532 2 HA2 GLY 12 HA2 GLY 12 102.711 14.314 8.892 3 HA3 GLY 12 HA3 GLY 12 102.480 12.800 9.740 No H/Q in entry = 3 In of MODEL 16 1 H GLU 13 H GLU 13 103.996 15.788 10.967 2 HA GLU 13 HA GLU 13 106.656 14.868 10.614 3 HB2 GLU 13 HB2 GLU 13 105.446 16.922 12.467 4 HB3 GLU 13 HB3 GLU 13 107.155 16.502 12.560 5 HG2 GLU 13 HG2 GLU 13 107.479 17.121 10.234 6 HG3 GLU 13 HG3 GLU 13 105.764 17.464 10.052 No H/Q in entry = 6 In of MODEL 16 1 H ALA 14 H ALA 14 104.216 14.345 13.014 2 HA ALA 14 HA ALA 14 105.926 13.131 14.935 3 HB1 ALA 14 HB1 ALA 14 103.708 14.289 15.412 4 HB2 ALA 14 HB2 ALA 14 102.935 12.842 14.761 5 HB3 ALA 14 HB3 ALA 14 103.957 12.728 16.194 No H/Q in entry = 5 In of MODEL 16 1 H PHE 15 H PHE 15 103.856 12.158 12.327 2 HA PHE 15 HA PHE 15 103.632 9.403 12.787 3 HB2 PHE 15 HB2 PHE 15 102.346 10.858 11.220 4 HB3 PHE 15 HB3 PHE 15 103.758 10.912 10.185 5 HD1 PHE 15 HD1 PHE 15 104.285 9.145 8.739 6 HD2 PHE 15 HD2 PHE 15 101.218 8.674 11.697 7 HE1 PHE 15 HE1 PHE 15 103.482 7.101 7.590 8 HE2 PHE 15 HE2 PHE 15 100.441 6.604 10.573 9 HZ PHE 15 HZ PHE 15 101.568 5.838 8.514 No H/Q in entry = 9 In of MODEL 16 1 H LEU 16 H LEU 16 105.954 11.215 10.803 2 HA LEU 16 HA LEU 16 107.458 8.860 10.129 3 HB2 LEU 16 HB2 LEU 16 108.111 11.803 9.941 4 HB3 LEU 16 HB3 LEU 16 109.242 10.554 9.464 5 HG LEU 16 HG LEU 16 107.116 9.688 8.049 6 HD11 LEU 16 HD11 LEU 16 106.611 12.629 8.509 7 HD12 LEU 16 HD12 LEU 16 106.095 11.842 7.020 8 HD13 LEU 16 HD13 LEU 16 105.469 11.290 8.577 9 HD21 LEU 16 HD21 LEU 16 109.141 11.806 7.369 10 HD22 LEU 16 HD22 LEU 16 109.159 10.090 7.000 11 HD23 LEU 16 HD23 LEU 16 108.039 11.150 6.161 No H/Q in entry = 11 In of MODEL 16 1 H THR 17 H THR 17 107.621 11.312 12.604 2 HA THR 17 HA THR 17 110.136 10.643 13.672 3 HB THR 17 HB THR 17 107.718 11.706 15.117 4 HG1 THR 17 HG1 THR 17 109.253 12.780 13.261 5 HG21 THR 17 HG21 THR 17 110.627 11.505 15.834 6 HG22 THR 17 HG22 THR 17 109.515 12.619 16.629 7 HG23 THR 17 HG23 THR 17 109.236 10.885 16.725 No H/Q in entry = 7 In of MODEL 16 1 H GLU 18 H GLU 18 106.880 9.510 14.374 2 HA GLU 18 HA GLU 18 107.685 7.693 16.393 3 HB2 GLU 18 HB2 GLU 18 105.494 8.767 16.434 4 HB3 GLU 18 HB3 GLU 18 105.078 7.943 14.936 5 HG2 GLU 18 HG2 GLU 18 105.234 5.781 16.004 6 HG3 GLU 18 HG3 GLU 18 105.852 6.509 17.485 No H/Q in entry = 6 In of MODEL 16 1 H ASN 19 H ASN 19 106.645 7.341 13.022 2 HA ASN 19 HA ASN 19 106.594 4.536 12.961 3 HB2 ASN 19 HB2 ASN 19 105.682 5.984 11.196 4 HB3 ASN 19 HB3 ASN 19 107.324 6.387 10.705 5 HD21 ASN 19 HD21 ASN 19 107.837 5.211 8.900 6 HD22 ASN 19 HD22 ASN 19 107.429 3.590 8.635 No H/Q in entry = 6 In of MODEL 16 1 H LYS 20 H LYS 20 109.300 6.690 12.196 2 HA LYS 20 HA LYS 20 111.053 4.636 11.366 3 HB2 LYS 20 HB2 LYS 20 112.868 6.223 11.798 4 HB3 LYS 20 HB3 LYS 20 111.532 7.015 10.972 5 HG2 LYS 20 HG2 LYS 20 110.708 7.654 13.336 6 HG3 LYS 20 HG3 LYS 20 112.309 7.167 13.887 7 HD2 LYS 20 HD2 LYS 20 111.855 9.203 11.691 8 HD3 LYS 20 HD3 LYS 20 112.123 9.627 13.379 9 HE2 LYS 20 HE2 LYS 20 114.274 8.249 13.236 10 HE3 LYS 20 HE3 LYS 20 114.025 8.256 11.496 11 HZ1 LYS 20 HZ1 LYS 20 113.656 10.857 12.388 12 HZ2 LYS 20 HZ2 LYS 20 115.087 10.290 13.109 13 HZ3 LYS 20 HZ3 LYS 20 114.915 10.258 11.420 No H/Q in entry = 13 In of MODEL 16 1 H ASN 21 H ASN 21 110.044 5.750 14.491 2 HA ASN 21 HA ASN 21 112.112 4.327 15.941 3 HB2 ASN 21 HB2 ASN 21 109.771 6.035 16.671 4 HB3 ASN 21 HB3 ASN 21 110.495 5.009 17.903 5 HD21 ASN 21 HD21 ASN 21 110.759 8.041 16.350 6 HD22 ASN 21 HD22 ASN 21 112.317 8.444 16.894 No H/Q in entry = 6 In of MODEL 16 1 H LYS 22 H LYS 22 108.845 3.748 14.884 2 HA LYS 22 HA LYS 22 108.137 1.772 16.658 3 HB2 LYS 22 HB2 LYS 22 107.365 2.369 13.857 4 HB3 LYS 22 HB3 LYS 22 106.701 0.953 14.646 5 HG2 LYS 22 HG2 LYS 22 106.216 2.837 16.573 6 HG3 LYS 22 HG3 LYS 22 106.166 3.849 15.144 7 HD2 LYS 22 HD2 LYS 22 104.563 1.293 15.414 8 HD3 LYS 22 HD3 LYS 22 103.936 2.887 15.828 9 HE2 LYS 22 HE2 LYS 22 104.078 3.646 13.594 10 HE3 LYS 22 HE3 LYS 22 105.157 2.329 13.135 11 HZ1 LYS 22 HZ1 LYS 22 102.496 1.662 14.160 12 HZ2 LYS 22 HZ2 LYS 22 102.624 2.238 12.567 13 HZ3 LYS 22 HZ3 LYS 22 103.458 0.835 13.035 No H/Q in entry = 13 In of MODEL 16 1 HA PRO 23 HA PRO 23 110.898 -1.634 15.718 2 HB2 PRO 23 HB2 PRO 23 108.575 -3.422 16.293 3 HB3 PRO 23 HB3 PRO 23 110.205 -3.435 16.989 4 HG2 PRO 23 HG2 PRO 23 108.144 -2.520 18.384 5 HG3 PRO 23 HG3 PRO 23 109.734 -1.735 18.467 6 HD2 PRO 23 HD2 PRO 23 107.272 -0.836 17.000 7 HD3 PRO 23 HD3 PRO 23 108.487 0.111 17.889 No H/Q in entry = 7 In of MODEL 16 1 H GLY 24 H GLY 24 111.359 -3.059 14.082 2 HA2 GLY 24 HA2 GLY 24 109.396 -3.956 12.179 3 HA3 GLY 24 HA3 GLY 24 111.117 -4.289 12.133 No H/Q in entry = 3 In of MODEL 16 1 H VAL 25 H VAL 25 110.185 -1.004 12.513 2 HA VAL 25 HA VAL 25 110.153 -0.445 9.654 3 HB VAL 25 HB VAL 25 110.226 1.497 11.981 No H/Q in entry = 3 In of MODEL 16 1 H VAL 26 H VAL 26 111.789 0.382 8.498 2 HA VAL 26 HA VAL 26 114.361 1.006 9.871 3 HB VAL 26 HB VAL 26 113.876 -0.426 7.254 No H/Q in entry = 3 In of MODEL 16 1 H VAL 27 H VAL 27 114.807 3.127 9.621 2 HA VAL 27 HA VAL 27 113.559 4.577 7.412 3 HB VAL 27 HB VAL 27 113.266 5.557 9.645 No H/Q in entry = 3 In of MODEL 16 1 H LEU 28 H LEU 28 114.526 5.814 5.972 2 HA LEU 28 HA LEU 28 117.389 5.212 5.566 3 HB2 LEU 28 HB2 LEU 28 115.272 5.940 3.536 4 HB3 LEU 28 HB3 LEU 28 116.934 5.570 3.162 5 HG LEU 28 HG LEU 28 115.060 3.632 4.522 6 HD11 LEU 28 HD11 LEU 28 114.465 4.310 2.128 7 HD12 LEU 28 HD12 LEU 28 115.991 3.583 1.650 8 HD13 LEU 28 HD13 LEU 28 114.745 2.596 2.399 9 HD21 LEU 28 HD21 LEU 28 117.869 3.463 3.390 10 HD22 LEU 28 HD22 LEU 28 117.334 3.055 5.021 11 HD23 LEU 28 HD23 LEU 28 116.877 2.036 3.663 No H/Q in entry = 11 In of MODEL 16 1 HA PRO 29 HA PRO 29 118.444 9.447 5.718 2 HB2 PRO 29 HB2 PRO 29 119.713 9.353 3.039 3 HB3 PRO 29 HB3 PRO 29 120.431 9.777 4.603 4 HG2 PRO 29 HG2 PRO 29 120.969 7.454 3.459 5 HG3 PRO 29 HG3 PRO 29 120.720 7.557 5.214 6 HD2 PRO 29 HD2 PRO 29 118.821 6.642 3.089 7 HD3 PRO 29 HD3 PRO 29 119.167 5.904 4.662 No H/Q in entry = 7 In of MODEL 16 1 H SER 30 H SER 30 116.961 8.309 2.774 2 HA SER 30 HA SER 30 116.212 10.831 1.709 3 HB2 SER 30 HB2 SER 30 114.692 8.267 1.242 4 HB3 SER 30 HB3 SER 30 114.978 9.607 0.122 5 HG SER 30 HG SER 30 116.825 8.745 -0.388 No H/Q in entry = 5 In of MODEL 16 1 H GLY 31 H GLY 31 115.085 8.974 4.314 2 HA2 GLY 31 HA2 GLY 31 112.806 10.798 4.695 3 HA3 GLY 31 HA3 GLY 31 113.577 9.834 5.947 No H/Q in entry = 3 In of MODEL 16 1 H LEU 32 H LEU 32 113.267 8.004 3.174 2 HA LEU 32 HA LEU 32 110.537 7.189 3.515 3 HB2 LEU 32 HB2 LEU 32 111.667 7.077 1.305 4 HB3 LEU 32 HB3 LEU 32 112.791 5.901 1.940 5 HG LEU 32 HG LEU 32 110.810 5.059 0.514 6 HD11 LEU 32 HD11 LEU 32 112.288 3.630 1.894 7 HD12 LEU 32 HD12 LEU 32 111.099 3.729 3.173 8 HD13 LEU 32 HD13 LEU 32 110.668 3.000 1.648 9 HD21 LEU 32 HD21 LEU 32 109.138 6.426 1.739 10 HD22 LEU 32 HD22 LEU 32 108.694 4.739 1.584 11 HD23 LEU 32 HD23 LEU 32 109.297 5.344 3.107 No H/Q in entry = 11 In of MODEL 16 1 H GLN 33 H GLN 33 109.801 5.503 4.736 2 HA GLN 33 HA GLN 33 111.786 3.824 6.150 3 HB2 GLN 33 HB2 GLN 33 109.129 4.876 7.120 4 HB3 GLN 33 HB3 GLN 33 110.148 3.756 7.990 5 HG2 GLN 33 HG2 GLN 33 110.984 5.666 8.938 6 HG3 GLN 33 HG3 GLN 33 111.924 5.706 7.484 7 HE21 GLN 33 HE21 GLN 33 111.444 8.081 8.789 8 HE22 GLN 33 HE22 GLN 33 110.407 9.009 7.824 No H/Q in entry = 8 In of MODEL 16 1 H TYR 34 H TYR 34 111.370 1.633 6.280 2 HA TYR 34 HA TYR 34 108.836 0.640 5.199 3 HB2 TYR 34 HB2 TYR 34 109.920 -1.057 3.854 4 HB3 TYR 34 HB3 TYR 34 110.398 0.544 3.314 5 HD1 TYR 34 HD1 TYR 34 111.430 -2.343 5.373 6 HD2 TYR 34 HD2 TYR 34 112.679 1.241 3.390 7 HE1 TYR 34 HE1 TYR 34 113.807 -2.959 5.773 8 HE2 TYR 34 HE2 TYR 34 115.047 0.640 3.790 9 HH TYR 34 HH TYR 34 116.355 -1.531 4.180 No H/Q in entry = 9 In of MODEL 16 1 H LYS 35 H LYS 35 108.145 -1.283 5.886 2 HA LYS 35 HA LYS 35 109.666 -2.558 8.041 3 HB2 LYS 35 HB2 LYS 35 108.028 -0.999 8.969 4 HB3 LYS 35 HB3 LYS 35 106.732 -1.812 8.134 5 HG2 LYS 35 HG2 LYS 35 108.470 -3.541 9.761 6 HG3 LYS 35 HG3 LYS 35 107.557 -2.373 10.689 7 HD2 LYS 35 HD2 LYS 35 105.479 -3.155 9.618 8 HD3 LYS 35 HD3 LYS 35 106.410 -4.329 8.690 9 HE2 LYS 35 HE2 LYS 35 105.262 -5.098 10.902 10 HE3 LYS 35 HE3 LYS 35 106.904 -5.611 10.568 11 HZ1 LYS 35 HZ1 LYS 35 107.693 -3.784 11.935 12 HZ2 LYS 35 HZ2 LYS 35 106.099 -3.312 12.260 13 HZ3 LYS 35 HZ3 LYS 35 106.678 -4.810 12.819 No H/Q in entry = 13 In of MODEL 16 1 H VAL 36 H VAL 36 109.625 -4.667 8.001 2 HA VAL 36 HA VAL 36 108.166 -5.954 5.798 3 HB VAL 36 HB VAL 36 110.490 -6.422 5.868 No H/Q in entry = 3 In of MODEL 16 1 H ILE 37 H ILE 37 106.163 -6.449 6.262 2 HA ILE 37 HA ILE 37 105.225 -7.224 8.855 3 HB ILE 37 HB ILE 37 103.830 -7.834 6.244 4 HD11 ILE 37 HD11 ILE 37 104.356 -5.281 8.801 5 HD12 ILE 37 HD12 ILE 37 104.240 -3.892 7.759 6 HD13 ILE 37 HD13 ILE 37 102.783 -4.687 8.344 No H/Q in entry = 6 In of MODEL 16 1 H ASN 38 H ASN 38 106.077 -8.878 5.894 2 HA ASN 38 HA ASN 38 106.360 -11.408 7.361 3 HB2 ASN 38 HB2 ASN 38 104.619 -10.916 4.968 4 HB3 ASN 38 HB3 ASN 38 105.127 -12.509 5.440 5 HD21 ASN 38 HD21 ASN 38 103.158 -9.735 6.453 6 HD22 ASN 38 HD22 ASN 38 102.311 -10.563 7.668 No H/Q in entry = 6 In of MODEL 16 1 H SER 39 H SER 39 108.350 -12.138 6.891 2 HA SER 39 HA SER 39 109.755 -11.193 4.543 3 HB2 SER 39 HB2 SER 39 111.651 -12.200 5.424 4 HB3 SER 39 HB3 SER 39 110.767 -11.696 6.863 5 HG SER 39 HG SER 39 110.284 -13.742 7.289 No H/Q in entry = 5 In of MODEL 16 1 H GLY 40 H GLY 40 109.719 -12.102 2.651 2 HA2 GLY 40 HA2 GLY 40 108.624 -13.616 1.129 3 HA3 GLY 40 HA3 GLY 40 108.779 -14.882 2.343 No H/Q in entry = 3 In of MODEL 16 1 H ASN 41 H ASN 41 111.265 -12.565 1.711 2 HA ASN 41 HA ASN 41 113.385 -12.704 0.862 3 HB2 ASN 41 HB2 ASN 41 113.009 -15.551 1.791 4 HB3 ASN 41 HB3 ASN 41 114.559 -14.826 1.360 5 HD21 ASN 41 HD21 ASN 41 112.439 -12.518 2.754 6 HD22 ASN 41 HD22 ASN 41 113.079 -12.554 4.329 No H/Q in entry = 6 In of MODEL 16 1 H GLY 42 H GLY 42 111.166 -13.143 -1.006 2 HA2 GLY 42 HA2 GLY 42 110.701 -14.208 -3.040 3 HA3 GLY 42 HA3 GLY 42 112.176 -15.143 -2.878 No H/Q in entry = 3 In of MODEL 16 1 H VAL 43 H VAL 43 111.442 -14.000 -5.201 2 HA VAL 43 HA VAL 43 113.710 -12.438 -5.890 3 HB VAL 43 HB VAL 43 112.765 -12.393 -8.125 No H/Q in entry = 3 In of MODEL 16 1 H LYS 44 H LYS 44 113.037 -10.426 -7.389 2 HA LYS 44 HA LYS 44 110.954 -8.753 -6.754 3 HB2 LYS 44 HB2 LYS 44 111.700 -7.190 -5.131 4 HB3 LYS 44 HB3 LYS 44 111.923 -8.753 -4.430 5 HG2 LYS 44 HG2 LYS 44 114.257 -7.524 -5.868 6 HG3 LYS 44 HG3 LYS 44 113.819 -6.897 -4.295 7 HD2 LYS 44 HD2 LYS 44 114.001 -9.878 -4.528 8 HD3 LYS 44 HD3 LYS 44 115.516 -8.982 -4.577 9 HE2 LYS 44 HE2 LYS 44 115.202 -8.121 -2.393 10 HE3 LYS 44 HE3 LYS 44 113.474 -8.443 -2.414 11 HZ1 LYS 44 HZ1 LYS 44 115.462 -10.620 -2.619 12 HZ2 LYS 44 HZ2 LYS 44 114.954 -10.025 -1.114 13 HZ3 LYS 44 HZ3 LYS 44 113.830 -10.718 -2.180 No H/Q in entry = 13 In of MODEL 16 1 HA PRO 45 HA PRO 45 112.889 -6.697 -10.055 2 HB2 PRO 45 HB2 PRO 45 111.356 -4.466 -10.235 3 HB3 PRO 45 HB3 PRO 45 110.743 -6.088 -10.572 4 HG2 PRO 45 HG2 PRO 45 110.240 -4.319 -8.273 5 HG3 PRO 45 HG3 PRO 45 109.294 -5.663 -8.904 6 HD2 PRO 45 HD2 PRO 45 111.068 -5.697 -6.658 7 HD3 PRO 45 HD3 PRO 45 110.075 -7.035 -7.306 No H/Q in entry = 7 In of MODEL 16 1 H GLY 46 H GLY 46 114.029 -4.953 -10.915 2 HA2 GLY 46 HA2 GLY 46 115.929 -3.576 -10.652 3 HA3 GLY 46 HA3 GLY 46 115.516 -3.365 -8.954 No H/Q in entry = 3 In of MODEL 16 1 H LYS 47 H LYS 47 116.031 -1.145 -9.838 2 HA LYS 47 HA LYS 47 113.805 0.453 -9.709 3 HB2 LYS 47 HB2 LYS 47 115.189 2.299 -10.405 4 HB3 LYS 47 HB3 LYS 47 116.147 1.239 -9.381 5 HG2 LYS 47 HG2 LYS 47 116.192 0.987 -12.406 6 HG3 LYS 47 HG3 LYS 47 117.229 2.121 -11.565 7 HD2 LYS 47 HD2 LYS 47 118.696 0.474 -11.041 8 HD3 LYS 47 HD3 LYS 47 117.450 -0.459 -10.254 9 HE2 LYS 47 HE2 LYS 47 118.426 -1.773 -12.006 10 HE3 LYS 47 HE3 LYS 47 116.795 -1.346 -12.502 11 HZ1 LYS 47 HZ1 LYS 47 118.201 0.710 -13.466 12 HZ2 LYS 47 HZ2 LYS 47 119.341 -0.537 -13.609 13 HZ3 LYS 47 HZ3 LYS 47 117.826 -0.684 -14.361 No H/Q in entry = 13 In of MODEL 16 1 H SER 48 H SER 48 115.083 -1.259 -12.379 2 HA SER 48 HA SER 48 113.348 0.236 -14.252 3 HB2 SER 48 HB2 SER 48 115.788 -1.467 -14.640 4 HB3 SER 48 HB3 SER 48 114.770 -0.970 -15.989 5 HG SER 48 HG SER 48 116.555 0.464 -15.493 No H/Q in entry = 5 In of MODEL 16 1 H ASP 49 H ASP 49 113.381 -2.762 -12.585 2 HA ASP 49 HA ASP 49 112.008 -4.231 -14.749 3 HB2 ASP 49 HB2 ASP 49 112.639 -4.955 -11.915 4 HB3 ASP 49 HB3 ASP 49 111.724 -5.988 -12.979 No H/Q in entry = 4 In of MODEL 16 1 H THR 50 H THR 50 109.829 -5.219 -14.258 2 HA THR 50 HA THR 50 108.144 -3.168 -12.960 3 HB THR 50 HB THR 50 107.168 -5.253 -14.881 4 HG1 THR 50 HG1 THR 50 108.671 -4.032 -15.963 5 HG21 THR 50 HG21 THR 50 106.071 -2.666 -13.851 6 HG22 THR 50 HG22 THR 50 105.380 -3.550 -15.204 7 HG23 THR 50 HG23 THR 50 105.420 -4.289 -13.604 No H/Q in entry = 7 In of MODEL 16 1 H VAL 51 H VAL 51 106.512 -3.725 -11.541 2 HA VAL 51 HA VAL 51 106.848 -6.391 -10.285 3 HB VAL 51 HB VAL 51 107.858 -4.361 -9.126 No H/Q in entry = 3 In of MODEL 16 1 H THR 52 H THR 52 105.030 -7.107 -8.934 2 HA THR 52 HA THR 52 102.407 -5.936 -9.727 3 HB THR 52 HB THR 52 103.107 -8.874 -9.548 4 HG1 THR 52 HG1 THR 52 102.529 -7.189 -11.742 5 HG21 THR 52 HG21 THR 52 100.556 -7.370 -9.935 6 HG22 THR 52 HG22 THR 52 100.780 -8.933 -10.709 7 HG23 THR 52 HG23 THR 52 100.877 -8.817 -8.968 No H/Q in entry = 7 In of MODEL 16 1 H VAL 53 H VAL 53 101.392 -5.294 -7.861 2 HA VAL 53 HA VAL 53 101.711 -6.928 -5.408 3 HB VAL 53 HB VAL 53 102.431 -5.002 -4.136 No H/Q in entry = 3 In of MODEL 16 1 H GLU 54 H GLU 54 100.294 -6.217 -3.597 2 HA GLU 54 HA GLU 54 97.881 -4.703 -4.482 3 HB2 GLU 54 HB2 GLU 54 97.781 -6.739 -2.238 4 HB3 GLU 54 HB3 GLU 54 96.478 -5.973 -3.122 5 HG2 GLU 54 HG2 GLU 54 96.566 -7.421 -4.857 6 HG3 GLU 54 HG3 GLU 54 98.286 -7.663 -4.748 No H/Q in entry = 6 In of MODEL 16 1 H TYR 55 H TYR 55 97.043 -3.215 -2.748 2 HA TYR 55 HA TYR 55 98.634 -3.024 -0.341 3 HB2 TYR 55 HB2 TYR 55 99.441 -0.720 -0.932 4 HB3 TYR 55 HB3 TYR 55 100.128 -1.986 -1.953 5 HD1 TYR 55 HD1 TYR 55 97.501 0.631 -1.791 6 HD2 TYR 55 HD2 TYR 55 99.600 -2.133 -4.301 7 HE1 TYR 55 HE1 TYR 55 96.425 1.644 -3.784 8 HE2 TYR 55 HE2 TYR 55 98.548 -1.107 -6.292 9 HH TYR 55 HH TYR 55 97.391 0.732 -7.035 No H/Q in entry = 9 In of MODEL 16 1 H THR 56 H THR 56 98.053 -1.336 1.127 2 HA THR 56 HA THR 56 95.459 -0.072 0.614 3 HB THR 56 HB THR 56 96.274 -1.521 3.075 4 HG1 THR 56 HG1 THR 56 94.308 -1.561 1.195 5 HG21 THR 56 HG21 THR 56 94.250 0.728 2.940 6 HG22 THR 56 HG22 THR 56 94.444 -0.372 4.305 7 HG23 THR 56 HG23 THR 56 95.738 0.743 3.881 No H/Q in entry = 7 In of MODEL 16 1 H GLY 57 H GLY 57 95.370 2.048 0.795 2 HA2 GLY 57 HA2 GLY 57 96.788 4.037 0.601 3 HA3 GLY 57 HA3 GLY 57 97.785 3.393 1.899 No H/Q in entry = 3 In of MODEL 16 1 H ARG 58 H ARG 58 97.581 4.817 3.552 2 HA ARG 58 HA ARG 58 94.970 5.941 4.127 3 HB2 ARG 58 HB2 ARG 58 94.728 5.112 6.280 4 HB3 ARG 58 HB3 ARG 58 95.310 3.716 5.385 5 HG2 ARG 58 HG2 ARG 58 97.541 3.969 6.236 6 HG3 ARG 58 HG3 ARG 58 97.191 5.548 6.924 7 HD2 ARG 58 HD2 ARG 58 97.110 4.132 8.767 8 HD3 ARG 58 HD3 ARG 58 95.426 4.340 8.332 9 HE ARG 58 HE ARG 58 96.395 2.070 6.979 10 HH11 ARG 58 HH11 ARG 58 95.694 3.230 10.164 11 HH12 ARG 58 HH12 ARG 58 95.321 1.663 10.799 12 HH21 ARG 58 HH21 ARG 58 95.912 0.011 7.812 13 HH22 ARG 58 HH22 ARG 58 95.436 -0.155 9.469 No H/Q in entry = 13 In of MODEL 16 1 H LEU 59 H LEU 59 95.012 7.507 5.878 2 HA LEU 59 HA LEU 59 97.311 9.282 5.585 3 HB2 LEU 59 HB2 LEU 59 94.505 9.474 6.437 4 HB3 LEU 59 HB3 LEU 59 95.566 10.546 7.308 5 HG LEU 59 HG LEU 59 96.447 11.223 4.942 6 HD11 LEU 59 HD11 LEU 59 95.276 9.396 3.761 7 HD12 LEU 59 HD12 LEU 59 93.749 10.099 4.227 8 HD13 LEU 59 HD13 LEU 59 94.814 10.986 3.179 9 HD21 LEU 59 HD21 LEU 59 94.990 12.587 6.528 10 HD22 LEU 59 HD22 LEU 59 94.902 12.994 4.820 11 HD23 LEU 59 HD23 LEU 59 93.618 12.056 5.566 No H/Q in entry = 11 In of MODEL 16 1 H ILE 60 H ILE 60 98.245 10.329 7.387 2 HA ILE 60 HA ILE 60 99.329 8.660 9.353 3 HB ILE 60 HB ILE 60 100.189 10.625 10.380 4 HD11 ILE 60 HD11 ILE 60 97.335 11.733 8.183 5 HD12 ILE 60 HD12 ILE 60 97.461 13.403 8.678 6 HD13 ILE 60 HD13 ILE 60 98.713 12.696 7.653 No H/Q in entry = 6 In of MODEL 16 1 H ASP 61 H ASP 61 96.403 10.387 9.213 2 HA ASP 61 HA ASP 61 95.817 10.078 12.068 3 HB2 ASP 61 HB2 ASP 61 95.428 12.213 10.691 4 HB3 ASP 61 HB3 ASP 61 94.039 11.370 10.007 No H/Q in entry = 4 In of MODEL 16 1 H GLY 62 H GLY 62 95.669 8.111 9.534 2 HA2 GLY 62 HA2 GLY 62 93.480 6.574 10.704 3 HA3 GLY 62 HA3 GLY 62 94.651 6.015 9.541 No H/Q in entry = 3 In of MODEL 16 1 H THR 63 H THR 63 93.293 8.975 8.512 2 HA THR 63 HA THR 63 90.833 8.071 7.463 3 HB THR 63 HB THR 63 92.539 10.155 6.107 4 HG1 THR 63 HG1 THR 63 92.319 11.355 7.793 5 HG21 THR 63 HG21 THR 63 90.385 9.309 5.103 6 HG22 THR 63 HG22 THR 63 89.567 9.991 6.495 7 HG23 THR 63 HG23 THR 63 90.446 11.047 5.396 No H/Q in entry = 7 In of MODEL 16 1 H VAL 64 H VAL 64 90.925 6.087 6.412 2 HA VAL 64 HA VAL 64 92.912 5.521 4.446 3 HB VAL 64 HB VAL 64 90.252 4.191 4.922 No H/Q in entry = 3 In of MODEL 16 1 H PHE 65 H PHE 65 93.085 6.168 2.490 2 HA PHE 65 HA PHE 65 90.690 7.374 1.229 3 HB2 PHE 65 HB2 PHE 65 92.055 8.995 0.209 4 HB3 PHE 65 HB3 PHE 65 92.452 8.940 1.920 5 HD1 PHE 65 HD1 PHE 65 94.474 7.524 2.626 6 HD2 PHE 65 HD2 PHE 65 93.786 8.817 -1.389 7 HE1 PHE 65 HE1 PHE 65 96.901 7.306 2.154 8 HE2 PHE 65 HE2 PHE 65 96.206 8.632 -1.868 9 HZ PHE 65 HZ PHE 65 97.785 7.868 -0.098 No H/Q in entry = 9 In of MODEL 16 1 H ASP 66 H ASP 66 93.036 4.955 0.975 2 HA ASP 66 HA ASP 66 91.845 4.112 -1.521 3 HB2 ASP 66 HB2 ASP 66 93.639 5.608 -2.286 4 HB3 ASP 66 HB3 ASP 66 94.810 4.623 -1.412 No H/Q in entry = 4 In of MODEL 16 1 H SER 67 H SER 67 92.169 1.972 -2.041 2 HA SER 67 HA SER 67 93.893 0.356 -0.428 3 HB2 SER 67 HB2 SER 67 92.216 -1.015 0.602 4 HB3 SER 67 HB3 SER 67 91.924 0.667 1.038 5 HG SER 67 HG SER 67 90.112 0.609 -0.039 No H/Q in entry = 5 In of MODEL 16 1 H THR 68 H THR 68 94.182 -1.748 -1.124 2 HA THR 68 HA THR 68 92.817 -2.600 -3.585 3 HB THR 68 HB THR 68 95.813 -2.220 -3.412 4 HG1 THR 68 HG1 THR 68 94.219 -1.113 -5.398 5 HG21 THR 68 HG21 THR 68 94.058 -3.508 -5.497 6 HG22 THR 68 HG22 THR 68 95.675 -2.917 -5.849 7 HG23 THR 68 HG23 THR 68 95.450 -4.201 -4.672 No H/Q in entry = 7 In of MODEL 16 1 H GLU 69 H GLU 69 95.176 -3.235 -1.043 2 HA GLU 69 HA GLU 69 95.333 -6.010 -1.533 3 HB2 GLU 69 HB2 GLU 69 96.381 -6.172 0.649 4 HB3 GLU 69 HB3 GLU 69 97.074 -4.906 -0.346 5 HG2 GLU 69 HG2 GLU 69 96.878 -3.802 1.662 6 HG3 GLU 69 HG3 GLU 69 95.404 -3.361 0.828 No H/Q in entry = 6 In of MODEL 16 1 H LYS 70 H LYS 70 93.065 -4.013 0.116 2 HA LYS 70 HA LYS 70 91.857 -5.939 1.731 3 HB2 LYS 70 HB2 LYS 70 90.589 -3.602 0.320 4 HB3 LYS 70 HB3 LYS 70 89.881 -4.473 1.683 5 HG2 LYS 70 HG2 LYS 70 92.539 -3.055 1.709 6 HG3 LYS 70 HG3 LYS 70 91.055 -2.384 2.382 7 HD2 LYS 70 HD2 LYS 70 90.982 -4.507 3.856 8 HD3 LYS 70 HD3 LYS 70 92.653 -4.764 3.351 9 HE2 LYS 70 HE2 LYS 70 93.152 -2.423 4.101 10 HE3 LYS 70 HE3 LYS 70 91.558 -2.390 4.856 11 HZ1 LYS 70 HZ1 LYS 70 92.465 -4.700 5.772 12 HZ2 LYS 70 HZ2 LYS 70 93.943 -3.881 5.606 13 HZ3 LYS 70 HZ3 LYS 70 92.716 -3.234 6.588 No H/Q in entry = 13 In of MODEL 16 1 H THR 71 H THR 71 91.399 -4.977 -1.592 2 HA THR 71 HA THR 71 89.381 -6.939 -2.170 3 HB THR 71 HB THR 71 89.970 -6.356 -4.568 4 HG1 THR 71 HG1 THR 71 92.077 -5.371 -3.431 5 HG21 THR 71 HG21 THR 71 88.125 -5.275 -3.353 6 HG22 THR 71 HG22 THR 71 89.250 -4.087 -2.697 7 HG23 THR 71 HG23 THR 71 88.925 -4.132 -4.429 No H/Q in entry = 7 In of MODEL 16 1 H GLY 72 H GLY 72 92.861 -6.687 -2.292 2 HA2 GLY 72 HA2 GLY 72 93.135 -9.547 -2.481 3 HA3 GLY 72 HA3 GLY 72 94.430 -8.386 -2.236 No H/Q in entry = 3 In of MODEL 16 1 H LYS 73 H LYS 73 93.207 -6.901 -4.674 2 HA LYS 73 HA LYS 73 94.134 -8.732 -6.788 3 HB2 LYS 73 HB2 LYS 73 92.384 -6.310 -6.737 4 HB3 LYS 73 HB3 LYS 73 93.212 -6.707 -8.238 5 HG2 LYS 73 HG2 LYS 73 91.299 -7.908 -8.600 6 HG3 LYS 73 HG3 LYS 73 92.167 -9.149 -7.711 7 HD2 LYS 73 HD2 LYS 73 91.088 -8.162 -5.597 8 HD3 LYS 73 HD3 LYS 73 90.044 -7.260 -6.692 9 HE2 LYS 73 HE2 LYS 73 88.947 -9.306 -6.018 10 HE3 LYS 73 HE3 LYS 73 89.353 -9.417 -7.730 11 HZ1 LYS 73 HZ1 LYS 73 90.993 -10.528 -5.516 12 HZ2 LYS 73 HZ2 LYS 73 89.924 -11.437 -6.474 13 HZ3 LYS 73 HZ3 LYS 73 91.287 -10.712 -7.179 No H/Q in entry = 13 In of MODEL 16 1 HA PRO 74 HA PRO 74 97.978 -6.456 -6.624 2 HB2 PRO 74 HB2 PRO 74 98.644 -8.128 -8.988 3 HB3 PRO 74 HB3 PRO 74 99.539 -7.893 -7.472 4 HG2 PRO 74 HG2 PRO 74 98.240 -10.148 -7.935 5 HG3 PRO 74 HG3 PRO 74 98.235 -9.408 -6.330 6 HD2 PRO 74 HD2 PRO 74 96.116 -9.332 -8.441 7 HD3 PRO 74 HD3 PRO 74 95.997 -9.632 -6.697 No H/Q in entry = 7 In of MODEL 16 1 H ALA 75 H ALA 75 99.048 -4.944 -7.766 2 HA ALA 75 HA ALA 75 97.826 -3.966 -10.281 3 HB1 ALA 75 HB1 ALA 75 97.396 -2.599 -8.138 4 HB2 ALA 75 HB2 ALA 75 98.046 -1.744 -9.535 5 HB3 ALA 75 HB3 ALA 75 99.112 -2.210 -8.212 No H/Q in entry = 5 In of MODEL 16 1 H THR 76 H THR 76 99.362 -3.250 -11.848 2 HA THR 76 HA THR 76 102.148 -4.027 -11.246 3 HB THR 76 HB THR 76 101.285 -5.290 -13.040 4 HG1 THR 76 HG1 THR 76 102.705 -3.226 -14.317 5 HG21 THR 76 HG21 THR 76 100.347 -2.623 -14.098 6 HG22 THR 76 HG22 THR 76 100.478 -4.044 -15.128 7 HG23 THR 76 HG23 THR 76 99.375 -4.053 -13.752 No H/Q in entry = 7 In of MODEL 16 1 H PHE 77 H PHE 77 103.819 -2.718 -11.391 2 HA PHE 77 HA PHE 77 103.563 -0.126 -12.715 3 HB2 PHE 77 HB2 PHE 77 104.614 -0.181 -9.902 4 HB3 PHE 77 HB3 PHE 77 104.149 1.171 -10.882 5 HD1 PHE 77 HD1 PHE 77 103.147 -0.875 -8.282 6 HD2 PHE 77 HD2 PHE 77 101.654 1.170 -11.742 7 HE1 PHE 77 HE1 PHE 77 100.859 -0.888 -7.299 8 HE2 PHE 77 HE2 PHE 77 99.385 1.165 -10.778 9 HZ PHE 77 HZ PHE 77 98.979 0.137 -8.553 No H/Q in entry = 9 In of MODEL 16 1 H GLN 78 H GLN 78 105.533 0.815 -13.171 2 HA GLN 78 HA GLN 78 107.808 -1.005 -13.094 3 HB2 GLN 78 HB2 GLN 78 107.376 1.633 -14.479 4 HB3 GLN 78 HB3 GLN 78 108.923 0.809 -14.443 5 HG2 GLN 78 HG2 GLN 78 107.821 -1.201 -15.395 6 HG3 GLN 78 HG3 GLN 78 106.354 -0.257 -15.578 7 HE21 GLN 78 HE21 GLN 78 108.864 1.841 -15.929 8 HE22 GLN 78 HE22 GLN 78 109.053 1.829 -17.614 No H/Q in entry = 8 In of MODEL 16 1 H VAL 79 H VAL 79 109.360 -0.832 -11.633 2 HA VAL 79 HA VAL 79 109.059 0.717 -9.379 3 HB VAL 79 HB VAL 79 111.703 -0.262 -10.472 No H/Q in entry = 3 In of MODEL 16 1 H SER 80 H SER 80 110.688 1.532 -12.446 2 HA SER 80 HA SER 80 112.089 3.760 -11.374 3 HB2 SER 80 HB2 SER 80 113.036 3.026 -13.363 4 HB3 SER 80 HB3 SER 80 111.467 2.771 -14.118 5 HG SER 80 HG SER 80 111.272 5.149 -13.946 No H/Q in entry = 5 In of MODEL 16 1 H GLN 81 H GLN 81 108.901 3.305 -12.617 2 HA GLN 81 HA GLN 81 108.417 6.198 -12.833 3 HB2 GLN 81 HB2 GLN 81 106.594 3.888 -13.417 4 HB3 GLN 81 HB3 GLN 81 106.340 5.563 -13.875 5 HG2 GLN 81 HG2 GLN 81 108.464 3.648 -14.862 6 HG3 GLN 81 HG3 GLN 81 107.119 4.371 -15.787 7 HE21 GLN 81 HE21 GLN 81 110.257 4.585 -15.917 8 HE22 GLN 81 HE22 GLN 81 110.511 6.258 -16.058 No H/Q in entry = 8 In of MODEL 16 1 H VAL 82 H VAL 82 108.006 3.710 -10.515 2 HA VAL 82 HA VAL 82 105.515 4.558 -9.530 3 HB VAL 82 HB VAL 82 106.805 2.316 -9.305 No H/Q in entry = 3 In of MODEL 16 1 H ILE 83 H ILE 83 105.151 5.222 -7.169 2 HA ILE 83 HA ILE 83 106.035 7.812 -6.871 3 HB ILE 83 HB ILE 83 105.550 6.561 -4.227 4 HD11 ILE 83 HD11 ILE 83 102.618 6.827 -4.069 5 HD12 ILE 83 HD12 ILE 83 102.106 5.258 -4.661 6 HD13 ILE 83 HD13 ILE 83 103.404 5.365 -3.489 No H/Q in entry = 6 In of MODEL 16 1 HA PRO 84 HA PRO 84 110.343 7.528 -5.887 2 HB2 PRO 84 HB2 PRO 84 109.859 9.281 -3.515 3 HB3 PRO 84 HB3 PRO 84 111.049 9.468 -4.811 4 HG2 PRO 84 HG2 PRO 84 108.861 10.975 -4.728 5 HG3 PRO 84 HG3 PRO 84 109.511 10.388 -6.253 6 HD2 PRO 84 HD2 PRO 84 107.138 9.470 -4.772 7 HD3 PRO 84 HD3 PRO 84 107.397 9.506 -6.518 No H/Q in entry = 7 In of MODEL 16 1 H GLY 85 H GLY 85 108.288 7.510 -2.993 2 HA2 GLY 85 HA2 GLY 85 108.337 6.145 -1.153 3 HA3 GLY 85 HA3 GLY 85 110.077 6.151 -1.320 No H/Q in entry = 3 In of MODEL 16 1 H TRP 86 H TRP 86 107.495 4.971 -3.347 2 HA TRP 86 HA TRP 86 107.701 2.198 -2.802 3 HB2 TRP 86 HB2 TRP 86 106.406 3.971 -4.825 4 HB3 TRP 86 HB3 TRP 86 106.546 2.262 -5.236 5 HD1 TRP 86 HD1 TRP 86 105.284 4.278 -2.156 6 HE1 TRP 86 HE1 TRP 86 103.173 3.135 -1.291 7 HE3 TRP 86 HE3 TRP 86 105.036 0.503 -5.458 8 HZ2 TRP 86 HZ2 TRP 86 101.569 0.879 -1.950 9 HZ3 TRP 86 HZ3 TRP 86 103.190 -1.118 -5.335 10 HH2 TRP 86 HH2 TRP 86 101.445 -0.942 -3.597 No H/Q in entry = 10 In of MODEL 16 1 H THR 87 H THR 87 109.449 4.254 -5.102 2 HA THR 87 HA THR 87 110.397 2.340 -6.879 3 HB THR 87 HB THR 87 111.775 4.819 -5.813 4 HG1 THR 87 HG1 THR 87 110.400 4.491 -8.247 5 HG21 THR 87 HG21 THR 87 113.276 3.127 -7.063 6 HG22 THR 87 HG22 THR 87 112.291 3.486 -8.467 7 HG23 THR 87 HG23 THR 87 113.223 4.752 -7.711 No H/Q in entry = 7 In of MODEL 16 1 H GLU 88 H GLU 88 112.010 3.529 -3.928 2 HA GLU 88 HA GLU 88 114.161 1.684 -4.116 3 HB2 GLU 88 HB2 GLU 88 114.350 3.865 -3.005 4 HB3 GLU 88 HB3 GLU 88 113.232 3.326 -1.757 5 HG2 GLU 88 HG2 GLU 88 115.510 3.081 -0.937 6 HG3 GLU 88 HG3 GLU 88 114.836 1.476 -1.190 No H/Q in entry = 6 In of MODEL 16 1 H ALA 89 H ALA 89 111.155 1.653 -2.236 2 HA ALA 89 HA ALA 89 111.867 -0.450 -0.513 3 HB1 ALA 89 HB1 ALA 89 109.124 0.322 -1.507 4 HB2 ALA 89 HB2 ALA 89 109.962 1.028 -0.126 5 HB3 ALA 89 HB3 ALA 89 109.488 -0.666 -0.100 No H/Q in entry = 5 In of MODEL 16 1 H LEU 90 H LEU 90 110.137 -0.645 -3.646 2 HA LEU 90 HA LEU 90 109.447 -3.359 -3.542 3 HB2 LEU 90 HB2 LEU 90 110.233 -1.707 -5.957 4 HB3 LEU 90 HB3 LEU 90 109.358 -3.228 -6.004 5 HG LEU 90 HG LEU 90 108.335 -0.887 -4.403 6 HD11 LEU 90 HD11 LEU 90 107.994 -1.473 -7.334 7 HD12 LEU 90 HD12 LEU 90 106.889 -0.446 -6.444 8 HD13 LEU 90 HD13 LEU 90 108.583 -0.002 -6.595 9 HD21 LEU 90 HD21 LEU 90 107.125 -3.360 -5.593 10 HD22 LEU 90 HD22 LEU 90 107.209 -2.928 -3.903 11 HD23 LEU 90 HD23 LEU 90 106.156 -2.047 -5.006 No H/Q in entry = 11 In of MODEL 16 1 H GLN 91 H GLN 91 112.401 -1.784 -4.569 2 HA GLN 91 HA GLN 91 113.668 -3.989 -5.717 3 HB2 GLN 91 HB2 GLN 91 114.832 -1.538 -4.415 4 HB3 GLN 91 HB3 GLN 91 115.717 -2.650 -5.456 5 HG2 GLN 91 HG2 GLN 91 114.253 -2.154 -7.325 6 HG3 GLN 91 HG3 GLN 91 113.218 -1.170 -6.287 7 HE21 GLN 91 HE21 GLN 91 113.578 0.884 -7.284 8 HE22 GLN 91 HE22 GLN 91 115.102 1.628 -7.341 No H/Q in entry = 8 In of MODEL 16 1 H LEU 92 H LEU 92 113.204 -3.035 -2.429 2 HA LEU 92 HA LEU 92 115.247 -4.953 -1.486 3 HB2 LEU 92 HB2 LEU 92 113.648 -2.987 0.154 4 HB3 LEU 92 HB3 LEU 92 115.118 -3.840 0.626 5 HG LEU 92 HG LEU 92 114.966 -1.847 -1.637 6 HD11 LEU 92 HD11 LEU 92 114.546 -0.759 0.482 7 HD12 LEU 92 HD12 LEU 92 116.013 -1.476 1.154 8 HD13 LEU 92 HD13 LEU 92 116.116 -0.312 -0.170 9 HD21 LEU 92 HD21 LEU 92 117.195 -3.349 -0.330 10 HD22 LEU 92 HD22 LEU 92 116.777 -3.306 -2.038 11 HD23 LEU 92 HD23 LEU 92 117.480 -1.889 -1.267 No H/Q in entry = 11 In of MODEL 16 1 H MET 93 H MET 93 111.854 -4.563 -1.843 2 HA MET 93 HA MET 93 111.131 -6.371 0.272 3 HB2 MET 93 HB2 MET 93 109.610 -4.623 -0.341 4 HB3 MET 93 HB3 MET 93 109.546 -5.208 -2.004 5 HG2 MET 93 HG2 MET 93 108.371 -7.167 -1.392 6 HG3 MET 93 HG3 MET 93 108.805 -6.995 0.309 7 HE1 MET 93 HE1 MET 93 107.340 -5.492 -2.666 8 HE2 MET 93 HE2 MET 93 105.642 -5.751 -2.257 9 HE3 MET 93 HE3 MET 93 106.356 -4.149 -2.120 No H/Q in entry = 9 In of MODEL 16 1 HA PRO 94 HA PRO 94 111.947 -9.977 -2.499 2 HB2 PRO 94 HB2 PRO 94 111.290 -11.574 -0.124 3 HB3 PRO 94 HB3 PRO 94 112.772 -11.567 -1.092 4 HG2 PRO 94 HG2 PRO 94 112.696 -10.556 1.381 5 HG3 PRO 94 HG3 PRO 94 113.691 -9.829 0.102 6 HD2 PRO 94 HD2 PRO 94 111.016 -8.955 1.123 7 HD3 PRO 94 HD3 PRO 94 112.442 -8.001 0.751 No H/Q in entry = 7 In of MODEL 16 1 H ALA 95 H ALA 95 110.677 -11.433 -3.572 2 HA ALA 95 HA ALA 95 107.910 -10.942 -3.598 3 HB1 ALA 95 HB1 ALA 95 109.497 -13.128 -4.875 4 HB2 ALA 95 HB2 ALA 95 107.770 -12.867 -5.147 5 HB3 ALA 95 HB3 ALA 95 108.931 -11.628 -5.614 No H/Q in entry = 5 In of MODEL 16 1 H GLY 96 H GLY 96 106.240 -11.747 -2.637 2 HA2 GLY 96 HA2 GLY 96 106.473 -14.305 -1.201 3 HA3 GLY 96 HA3 GLY 96 104.982 -13.450 -1.610 No H/Q in entry = 3 In of MODEL 16 1 H SER 97 H SER 97 107.539 -11.468 -0.583 2 HA SER 97 HA SER 97 106.829 -11.543 2.243 3 HB2 SER 97 HB2 SER 97 108.788 -10.325 2.588 4 HB3 SER 97 HB3 SER 97 109.194 -11.212 1.119 5 HG SER 97 HG SER 97 108.626 -8.521 1.506 No H/Q in entry = 5 In of MODEL 16 1 H THR 98 H THR 98 105.710 -10.018 3.301 2 HA THR 98 HA THR 98 104.442 -7.889 1.693 3 HB THR 98 HB THR 98 103.460 -9.096 4.279 4 HG1 THR 98 HG1 THR 98 102.185 -10.338 3.045 5 HG21 THR 98 HG21 THR 98 102.275 -7.170 2.263 6 HG22 THR 98 HG22 THR 98 101.381 -7.939 3.576 7 HG23 THR 98 HG23 THR 98 102.702 -6.837 3.942 No H/Q in entry = 7 In of MODEL 16 1 H TRP 99 H TRP 99 105.234 -5.945 2.018 2 HA TRP 99 HA TRP 99 106.322 -5.286 4.697 3 HB2 TRP 99 HB2 TRP 99 107.102 -4.216 1.984 4 HB3 TRP 99 HB3 TRP 99 107.630 -3.506 3.492 5 HD1 TRP 99 HD1 TRP 99 107.588 -7.286 3.541 6 HE1 TRP 99 HE1 TRP 99 109.969 -8.171 3.431 7 HE3 TRP 99 HE3 TRP 99 109.989 -2.938 2.417 8 HZ2 TRP 99 HZ2 TRP 99 112.607 -7.148 2.932 9 HZ3 TRP 99 HZ3 TRP 99 112.458 -2.924 2.144 10 HH2 TRP 99 HH2 TRP 99 113.767 -5.017 2.395 No H/Q in entry = 10 In of MODEL 16 1 H GLU 100 H GLU 100 106.328 -2.964 5.107 2 HA GLU 100 HA GLU 100 104.032 -1.501 4.005 3 HB2 GLU 100 HB2 GLU 100 104.747 -1.872 6.908 4 HB3 GLU 100 HB3 GLU 100 103.820 -0.481 6.360 5 HG2 GLU 100 HG2 GLU 100 102.117 -1.920 5.426 6 HG3 GLU 100 HG3 GLU 100 103.040 -3.356 5.833 No H/Q in entry = 6 In of MODEL 16 1 H ILE 101 H ILE 101 104.610 0.540 3.422 2 HA ILE 101 HA ILE 101 107.134 1.557 4.474 3 HB ILE 101 HB ILE 101 108.016 2.115 2.432 4 HD11 ILE 101 HD11 ILE 101 107.997 2.897 0.222 5 HD12 ILE 101 HD12 ILE 101 107.325 1.364 -0.322 6 HD13 ILE 101 HD13 ILE 101 106.541 2.869 -0.752 No H/Q in entry = 6 In of MODEL 16 1 H TYR 102 H TYR 102 107.190 3.551 5.069 2 HA TYR 102 HA TYR 102 104.650 5.053 4.931 3 HB2 TYR 102 HB2 TYR 102 106.977 5.359 6.837 4 HB3 TYR 102 HB3 TYR 102 105.418 6.123 6.979 5 HD1 TYR 102 HD1 TYR 102 106.543 2.538 6.391 6 HD2 TYR 102 HD2 TYR 102 104.177 5.217 8.750 7 HE1 TYR 102 HE1 TYR 102 105.725 0.645 7.675 8 HE2 TYR 102 HE2 TYR 102 103.349 3.301 10.068 9 HH TYR 102 HH TYR 102 103.797 1.096 10.580 No H/Q in entry = 9 In of MODEL 16 1 H VAL 103 H VAL 103 104.856 6.232 3.146 2 HA VAL 103 HA VAL 103 107.373 7.298 2.338 3 HB VAL 103 HB VAL 103 104.765 7.771 0.971 No H/Q in entry = 3 In of MODEL 16 1 HA PRO 104 HA PRO 104 106.689 11.290 4.326 2 HB2 PRO 104 HB2 PRO 104 108.900 12.017 2.456 3 HB3 PRO 104 HB3 PRO 104 108.773 12.297 4.204 4 HG2 PRO 104 HG2 PRO 104 110.380 10.400 3.142 5 HG3 PRO 104 HG3 PRO 104 109.639 10.226 4.725 6 HD2 PRO 104 HD2 PRO 104 108.997 8.835 2.213 7 HD3 PRO 104 HD3 PRO 104 108.662 8.358 3.892 No H/Q in entry = 7 In of MODEL 16 1 H SER 105 H SER 105 105.557 13.096 3.574 2 HA SER 105 HA SER 105 104.058 12.902 1.294 3 HB2 SER 105 HB2 SER 105 103.593 15.302 1.540 4 HB3 SER 105 HB3 SER 105 103.569 14.485 3.097 5 HG SER 105 HG SER 105 105.325 16.364 2.086 No H/Q in entry = 5 In of MODEL 16 1 H GLY 106 H GLY 106 107.281 14.179 1.649 2 HA2 GLY 106 HA2 GLY 106 108.807 14.991 0.136 3 HA3 GLY 106 HA3 GLY 106 107.458 15.475 -0.884 No H/Q in entry = 3 In of MODEL 16 1 H LEU 107 H LEU 107 107.995 12.187 0.223 2 HA LEU 107 HA LEU 107 109.050 11.392 -2.423 3 HB2 LEU 107 HB2 LEU 107 108.822 9.779 0.137 4 HB3 LEU 107 HB3 LEU 107 109.641 9.271 -1.317 5 HG LEU 107 HG LEU 107 110.417 11.547 0.505 6 HD11 LEU 107 HD11 LEU 107 111.810 8.996 -0.316 7 HD12 LEU 107 HD12 LEU 107 112.526 10.251 0.678 8 HD13 LEU 107 HD13 LEU 107 111.140 9.341 1.268 9 HD21 LEU 107 HD21 LEU 107 111.372 10.851 -2.260 10 HD22 LEU 107 HD22 LEU 107 110.927 12.435 -1.626 11 HD23 LEU 107 HD23 LEU 107 112.431 11.674 -1.120 No H/Q in entry = 11 In of MODEL 16 1 H ALA 108 H ALA 108 106.106 11.795 -1.087 2 HA ALA 108 HA ALA 108 104.959 9.334 -2.220 3 HB1 ALA 108 HB1 ALA 108 103.664 11.330 -0.365 4 HB2 ALA 108 HB2 ALA 108 103.039 9.762 -0.836 5 HB3 ALA 108 HB3 ALA 108 104.461 9.881 0.171 No H/Q in entry = 5 In of MODEL 16 1 H TYR 109 H TYR 109 102.730 11.811 -1.647 2 HA TYR 109 HA TYR 109 102.333 12.143 -4.502 3 HB2 TYR 109 HB2 TYR 109 100.584 12.284 -2.090 4 HB3 TYR 109 HB3 TYR 109 100.062 13.053 -3.587 5 HD1 TYR 109 HD1 TYR 109 100.450 9.936 -1.869 6 HD2 TYR 109 HD2 TYR 109 100.218 11.704 -5.757 7 HE1 TYR 109 HE1 TYR 109 100.049 7.740 -2.839 8 HE2 TYR 109 HE2 TYR 109 99.831 9.486 -6.746 9 HH TYR 109 HH TYR 109 100.477 6.668 -5.128 No H/Q in entry = 9 In of MODEL 16 1 H GLY 110 H GLY 110 103.810 13.966 -2.120 2 HA2 GLY 110 HA2 GLY 110 103.295 16.422 -3.707 3 HA3 GLY 110 HA3 GLY 110 104.805 16.059 -2.907 No H/Q in entry = 3 In of MODEL 16 1 HA PRO 111 HA PRO 111 103.557 18.466 0.528 2 HB2 PRO 111 HB2 PRO 111 103.924 21.016 -0.283 3 HB3 PRO 111 HB3 PRO 111 105.272 19.892 -0.062 4 HG2 PRO 111 HG2 PRO 111 103.911 20.704 -2.588 5 HG3 PRO 111 HG3 PRO 111 105.640 20.501 -2.258 6 HD2 PRO 111 HD2 PRO 111 104.123 18.605 -3.516 7 HD3 PRO 111 HD3 PRO 111 105.546 18.205 -2.547 No H/Q in entry = 7 In of MODEL 16 1 H ARG 112 H ARG 112 101.960 19.335 -2.486 2 HA ARG 112 HA ARG 112 99.835 20.791 -1.167 3 HB2 ARG 112 HB2 ARG 112 100.386 19.999 -4.016 4 HB3 ARG 112 HB3 ARG 112 98.810 20.637 -3.550 5 HG2 ARG 112 HG2 ARG 112 99.921 22.651 -2.623 6 HG3 ARG 112 HG3 ARG 112 101.481 22.027 -3.156 7 HD2 ARG 112 HD2 ARG 112 100.874 22.174 -5.457 8 HD3 ARG 112 HD3 ARG 112 99.172 22.408 -5.062 9 HE ARG 112 HE ARG 112 99.620 24.660 -4.599 10 HH11 ARG 112 HH11 ARG 112 102.528 22.830 -4.992 11 HH12 ARG 112 HH12 ARG 112 103.546 24.219 -5.178 12 HH21 ARG 112 HH21 ARG 112 100.951 26.495 -4.813 13 HH22 ARG 112 HH22 ARG 112 102.648 26.297 -5.092 No H/Q in entry = 13 In of MODEL 16 1 H SER 113 H SER 113 97.540 20.205 -1.767 2 HA SER 113 HA SER 113 96.994 17.528 -0.861 3 HB2 SER 113 HB2 SER 113 95.024 19.564 -1.896 4 HB3 SER 113 HB3 SER 113 94.714 18.214 -0.813 5 HG SER 113 HG SER 113 94.907 20.240 0.280 No H/Q in entry = 5 In of MODEL 16 1 H VAL 114 H VAL 114 97.832 16.253 -2.574 2 HA VAL 114 HA VAL 114 96.653 16.596 -5.252 3 HB VAL 114 HB VAL 114 98.722 14.585 -4.437 No H/Q in entry = 3 In of MODEL 16 1 H GLY 115 H GLY 115 94.633 15.788 -3.674 2 HA2 GLY 115 HA2 GLY 115 94.442 12.978 -3.276 3 HA3 GLY 115 HA3 GLY 115 93.722 13.420 -4.819 No H/Q in entry = 3 In of MODEL 16 1 H GLY 116 H GLY 116 92.037 12.289 -3.169 2 HA2 GLY 116 HA2 GLY 116 89.954 12.520 -2.208 3 HA3 GLY 116 HA3 GLY 116 89.993 14.182 -2.752 No H/Q in entry = 3 In of MODEL 16 1 HA PRO 117 HA PRO 117 90.015 14.216 1.903 2 HB2 PRO 117 HB2 PRO 117 90.965 12.098 3.324 3 HB3 PRO 117 HB3 PRO 117 89.316 12.153 2.677 4 HG2 PRO 117 HG2 PRO 117 91.742 10.928 1.460 5 HG3 PRO 117 HG3 PRO 117 90.150 10.203 1.704 6 HD2 PRO 117 HD2 PRO 117 90.815 11.144 -0.666 7 HD3 PRO 117 HD3 PRO 117 89.195 11.486 -0.013 No H/Q in entry = 7 In of MODEL 16 1 H ILE 118 H ILE 118 92.772 13.079 0.236 2 HA ILE 118 HA ILE 118 94.789 13.684 2.146 3 HB ILE 118 HB ILE 118 95.065 13.864 -0.870 4 HD11 ILE 118 HD11 ILE 118 93.436 12.349 -1.246 5 HD12 ILE 118 HD12 ILE 118 94.382 10.985 -1.809 6 HD13 ILE 118 HD13 ILE 118 93.330 10.824 -0.406 No H/Q in entry = 6 In of MODEL 16 1 H GLY 119 H GLY 119 95.050 15.676 2.952 2 HA2 GLY 119 HA2 GLY 119 94.545 17.971 3.137 3 HA3 GLY 119 HA3 GLY 119 94.201 18.042 1.428 No H/Q in entry = 3 In of MODEL 16 1 HA PRO 120 HA PRO 120 98.248 19.780 1.120 2 HB2 PRO 120 HB2 PRO 120 98.700 21.709 2.998 3 HB3 PRO 120 HB3 PRO 120 97.618 21.945 1.628 4 HG2 PRO 120 HG2 PRO 120 96.945 21.223 4.428 5 HG3 PRO 120 HG3 PRO 120 96.142 22.350 3.358 6 HD2 PRO 120 HD2 PRO 120 95.206 19.860 3.854 7 HD3 PRO 120 HD3 PRO 120 94.963 20.657 2.284 No H/Q in entry = 7 In of MODEL 16 1 H ASN 121 H ASN 121 100.397 19.452 1.641 2 HA ASN 121 HA ASN 121 102.112 18.228 2.576 3 HB2 ASN 121 HB2 ASN 121 101.906 20.561 3.692 4 HB3 ASN 121 HB3 ASN 121 101.395 19.665 5.118 5 HD21 ASN 121 HD21 ASN 121 103.010 17.599 5.465 6 HD22 ASN 121 HD22 ASN 121 104.652 18.021 5.400 No H/Q in entry = 6 In of MODEL 16 1 H GLU 122 H GLU 122 100.432 16.320 2.491 2 HA GLU 122 HA GLU 122 100.137 15.163 5.201 3 HB2 GLU 122 HB2 GLU 122 98.611 13.681 3.272 4 HB3 GLU 122 HB3 GLU 122 98.012 14.621 4.636 5 HG2 GLU 122 HG2 GLU 122 97.064 15.465 2.581 6 HG3 GLU 122 HG3 GLU 122 98.176 16.658 3.243 No H/Q in entry = 6 In of MODEL 16 1 H THR 123 H THR 123 100.946 13.229 5.668 2 HA THR 123 HA THR 123 102.824 12.058 3.733 3 HB THR 123 HB THR 123 102.356 11.445 6.652 4 HG1 THR 123 HG1 THR 123 104.721 12.537 6.050 5 HG21 THR 123 HG21 THR 123 104.537 10.627 4.746 6 HG22 THR 123 HG22 THR 123 104.507 10.263 6.476 7 HG23 THR 123 HG23 THR 123 103.299 9.572 5.396 No H/Q in entry = 7 In of MODEL 16 1 H LEU 124 H LEU 124 102.291 10.276 2.654 2 HA LEU 124 HA LEU 124 99.842 8.798 3.467 3 HB2 LEU 124 HB2 LEU 124 101.259 8.836 0.787 4 HB3 LEU 124 HB3 LEU 124 99.757 8.009 1.150 5 HG LEU 124 HG LEU 124 98.966 9.930 0.092 6 HD11 LEU 124 HD11 LEU 124 98.003 9.780 2.393 7 HD12 LEU 124 HD12 LEU 124 99.197 10.968 2.882 8 HD13 LEU 124 HD13 LEU 124 97.997 11.403 1.697 9 HD21 LEU 124 HD21 LEU 124 101.203 10.960 -0.119 10 HD22 LEU 124 HD22 LEU 124 99.937 12.123 0.243 11 HD23 LEU 124 HD23 LEU 124 101.029 11.593 1.504 No H/Q in entry = 11 In of MODEL 16 1 H ILE 125 H ILE 125 99.992 6.654 3.917 2 HA ILE 125 HA ILE 125 102.606 5.315 3.567 3 HB ILE 125 HB ILE 125 102.294 5.478 5.910 4 HD11 ILE 125 HD11 ILE 125 102.134 3.901 7.611 5 HD12 ILE 125 HD12 ILE 125 101.000 2.589 7.389 6 HD13 ILE 125 HD13 ILE 125 102.717 2.322 7.146 No H/Q in entry = 6 In of MODEL 16 1 H PHE 126 H PHE 126 102.562 3.214 2.810 2 HA PHE 126 HA PHE 126 99.920 2.140 2.090 3 HB2 PHE 126 HB2 PHE 126 102.236 1.937 0.194 4 HB3 PHE 126 HB3 PHE 126 100.513 1.703 -0.125 5 HD1 PHE 126 HD1 PHE 126 99.058 3.568 -0.621 6 HD2 PHE 126 HD2 PHE 126 103.110 4.216 0.657 7 HE1 PHE 126 HE1 PHE 126 98.873 5.982 -1.210 8 HE2 PHE 126 HE2 PHE 126 102.900 6.614 0.065 9 HZ PHE 126 HZ PHE 126 100.804 7.472 -0.859 No H/Q in entry = 9 In of MODEL 16 1 H LYS 127 H LYS 127 99.777 -0.119 1.962 2 HA LYS 127 HA LYS 127 101.989 -1.558 3.219 3 HB2 LYS 127 HB2 LYS 127 99.517 -3.087 2.727 4 HB3 LYS 127 HB3 LYS 127 100.424 -2.900 4.207 5 HG2 LYS 127 HG2 LYS 127 98.491 -0.876 3.110 6 HG3 LYS 127 HG3 LYS 127 98.139 -2.020 4.399 7 HD2 LYS 127 HD2 LYS 127 99.908 -1.065 5.802 8 HD3 LYS 127 HD3 LYS 127 100.318 0.083 4.545 9 HE2 LYS 127 HE2 LYS 127 98.173 1.168 4.723 10 HE3 LYS 127 HE3 LYS 127 97.576 -0.085 5.813 11 HZ1 LYS 127 HZ1 LYS 127 99.922 0.830 6.925 12 HZ2 LYS 127 HZ2 LYS 127 99.111 2.231 6.409 13 HZ3 LYS 127 HZ3 LYS 127 98.349 1.144 7.471 No H/Q in entry = 13 In of MODEL 16 1 H ILE 128 H ILE 128 103.262 -2.745 1.886 2 HA ILE 128 HA ILE 128 102.087 -3.277 -0.802 3 HB ILE 128 HB ILE 128 105.057 -3.066 -0.358 4 HD11 ILE 128 HD11 ILE 128 105.276 -0.599 -2.099 5 HD12 ILE 128 HD12 ILE 128 104.961 0.687 -0.950 6 HD13 ILE 128 HD13 ILE 128 106.076 -0.605 -0.528 No H/Q in entry = 6 In of MODEL 16 1 H HIS 129 H HIS 129 101.643 -5.177 -1.238 2 HA HIS 129 HA HIS 129 103.070 -7.454 -0.017 3 HB2 HIS 129 HB2 HIS 129 100.714 -7.442 0.551 4 HB3 HIS 129 HB3 HIS 129 100.276 -7.179 -1.133 5 HD2 HIS 129 HD2 HIS 129 102.854 -9.986 0.072 6 HE1 HIS 129 HE1 HIS 129 99.583 -11.769 -1.943 7 HE2 HIS 129 HE2 HIS 129 101.872 -12.202 -0.955 No H/Q in entry = 7 In of MODEL 16 1 H LEU 130 H LEU 130 104.391 -8.540 -1.381 2 HA LEU 130 HA LEU 130 104.128 -7.991 -4.242 3 HB2 LEU 130 HB2 LEU 130 106.309 -8.140 -2.550 4 HB3 LEU 130 HB3 LEU 130 106.366 -9.647 -3.407 5 HG LEU 130 HG LEU 130 106.186 -6.956 -4.706 6 HD11 LEU 130 HD11 LEU 130 108.485 -8.840 -4.296 7 HD12 LEU 130 HD12 LEU 130 108.514 -7.596 -5.530 8 HD13 LEU 130 HD13 LEU 130 108.385 -7.154 -3.832 9 HD21 LEU 130 HD21 LEU 130 105.118 -8.747 -6.058 10 HD22 LEU 130 HD22 LEU 130 106.587 -8.184 -6.792 11 HD23 LEU 130 HD23 LEU 130 106.597 -9.691 -5.913 No H/Q in entry = 11 In of MODEL 16 1 H ILE 131 H ILE 131 102.915 -9.276 -5.429 2 HA ILE 131 HA ILE 131 102.578 -12.101 -4.734 3 HB ILE 131 HB ILE 131 101.184 -10.311 -6.740 4 HD11 ILE 131 HD11 ILE 131 100.210 -8.698 -5.390 5 HD12 ILE 131 HD12 ILE 131 99.592 -9.038 -3.784 6 HD13 ILE 131 HD13 ILE 131 101.318 -9.061 -4.066 No H/Q in entry = 6 In of MODEL 16 1 H SER 132 H SER 132 103.509 -10.118 -7.577 2 HA SER 132 HA SER 132 105.265 -12.310 -8.448 3 HB2 SER 132 HB2 SER 132 104.289 -12.646 -10.526 4 HB3 SER 132 HB3 SER 132 102.853 -12.339 -9.554 5 HG SER 132 HG SER 132 103.216 -11.097 -11.610 No H/Q in entry = 5 In of MODEL 16 1 H VAL 133 H VAL 133 106.847 -11.642 -10.031 2 HA VAL 133 HA VAL 133 107.257 -8.705 -10.201 3 HB VAL 133 HB VAL 133 109.389 -10.795 -9.648 No H/Q in entry = 3 In of MODEL 16 1 H LYS 134 H LYS 134 107.916 -7.953 -12.127 2 HA LYS 134 HA LYS 134 108.029 -9.775 -14.389 3 HB2 LYS 134 HB2 LYS 134 106.865 -7.416 -14.161 4 HB3 LYS 134 HB3 LYS 134 108.484 -6.853 -14.571 5 HG2 LYS 134 HG2 LYS 134 107.587 -7.068 -16.710 6 HG3 LYS 134 HG3 LYS 134 108.290 -8.674 -16.513 7 HD2 LYS 134 HD2 LYS 134 106.003 -9.341 -15.527 8 HD3 LYS 134 HD3 LYS 134 105.404 -7.845 -16.239 9 HE2 LYS 134 HE2 LYS 134 106.500 -8.664 -18.430 10 HE3 LYS 134 HE3 LYS 134 106.593 -10.238 -17.642 11 HZ1 LYS 134 HZ1 LYS 134 104.150 -9.956 -17.170 12 HZ2 LYS 134 HZ2 LYS 134 104.169 -8.656 -18.266 13 HZ3 LYS 134 HZ3 LYS 134 104.567 -10.222 -18.794 No H/Q in entry = 13 In of MODEL 16 1 H LYS 135 H LYS 135 109.699 -7.918 -15.874 2 HA LYS 135 HA LYS 135 112.167 -7.372 -14.769 3 HB2 LYS 135 HB2 LYS 135 111.831 -10.166 -15.052 4 HB3 LYS 135 HB3 LYS 135 112.927 -9.711 -16.335 5 HG2 LYS 135 HG2 LYS 135 113.339 -8.748 -13.513 6 HG3 LYS 135 HG3 LYS 135 113.922 -10.314 -14.055 7 HD2 LYS 135 HD2 LYS 135 114.566 -7.914 -15.742 8 HD3 LYS 135 HD3 LYS 135 115.457 -8.125 -14.236 9 HE2 LYS 135 HE2 LYS 135 115.197 -10.251 -16.373 10 HE3 LYS 135 HE3 LYS 135 116.595 -9.192 -16.192 11 HZ1 LYS 135 HZ1 LYS 135 115.934 -10.341 -13.705 12 HZ2 LYS 135 HZ2 LYS 135 116.093 -11.576 -14.862 13 HZ3 LYS 135 HZ3 LYS 135 117.372 -10.491 -14.591 No H/Q in entry = 13 In of MODEL 16 1 H SER 136 H SER 136 113.423 -6.304 -16.023 2 HA SER 136 HA SER 136 112.455 -5.312 -18.498 3 HB2 SER 136 HB2 SER 136 113.886 -3.781 -17.521 4 HB3 SER 136 HB3 SER 136 114.937 -5.036 -16.871 5 HG SER 136 HG SER 136 114.873 -4.987 -19.603 No H/Q in entry = 5 In of MODEL 16 1 H SER 137 H SER 137 115.060 -7.596 -17.710 2 HA SER 137 HA SER 137 116.425 -8.851 -19.119 3 HB2 SER 137 HB2 SER 137 115.121 -10.618 -20.199 4 HB3 SER 137 HB3 SER 137 114.476 -10.267 -18.598 5 HG SER 137 HG SER 137 112.843 -10.391 -20.215 No H/Q in entry = 5
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