NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
496850 | 2xku | 17166 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 6.028 -7.942 6.556 2 HB2 MET 1 HB2 MET 1 3.509 -8.518 8.005 3 HB3 MET 1 HB3 MET 1 3.354 -8.075 6.311 4 HG2 MET 1 HG2 MET 1 4.799 -9.888 5.668 5 HG3 MET 1 HG3 MET 1 5.078 -10.302 7.359 6 HE1 MET 1 HE1 MET 1 1.671 -9.146 5.755 7 HE2 MET 1 HE2 MET 1 2.402 -10.109 4.472 8 HE3 MET 1 HE3 MET 1 0.957 -10.693 5.299 9 H ILE 2 H ILE 2 2.956 -6.516 7.058 10 HA ILE 2 HA ILE 2 3.852 -3.834 6.358 11 HB ILE 2 HB ILE 2 1.686 -5.169 4.703 12 HG12 ILE 2 HG12 ILE 2 4.441 -4.795 3.554 13 HG13 ILE 2 HG13 ILE 2 4.038 -6.260 4.444 14 HG21 ILE 2 HG21 ILE 2 1.800 -2.689 4.780 15 HG22 ILE 2 HG22 ILE 2 3.406 -2.777 4.040 16 HG23 ILE 2 HG23 ILE 2 1.995 -3.365 3.165 17 HD11 ILE 2 HD11 ILE 2 2.157 -6.639 2.870 18 HD12 ILE 2 HD12 ILE 2 2.703 -5.240 1.947 19 HD13 ILE 2 HD13 ILE 2 3.740 -6.656 2.098 20 H GLN 3 H GLN 3 2.311 -2.269 7.045 21 HA GLN 3 HA GLN 3 -0.128 -3.374 8.275 22 HB2 GLN 3 HB2 GLN 3 1.732 -1.297 9.449 23 HB3 GLN 3 HB3 GLN 3 0.136 -1.693 10.105 24 HG2 GLN 3 HG2 GLN 3 0.822 -3.921 10.658 25 HG3 GLN 3 HG3 GLN 3 2.367 -3.699 9.798 26 HE21 GLN 3 HE21 GLN 3 3.521 -4.220 11.644 27 HE22 GLN 3 HE22 GLN 3 3.682 -3.134 12.984 28 H VAL 4 H VAL 4 -1.691 -2.651 6.969 29 HA VAL 4 HA VAL 4 -1.511 0.020 5.845 30 HB VAL 4 HB VAL 4 -3.696 -0.694 4.657 31 HG11 VAL 4 HG11 VAL 4 -1.082 -2.122 4.193 32 HG12 VAL 4 HG12 VAL 4 -2.401 -2.012 3.031 33 HG13 VAL 4 HG13 VAL 4 -1.563 -0.552 3.546 34 HG21 VAL 4 HG21 VAL 4 -2.729 -3.372 5.638 35 HG22 VAL 4 HG22 VAL 4 -4.244 -2.586 6.089 36 HG23 VAL 4 HG23 VAL 4 -3.973 -3.100 4.420 37 H TYR 5 H TYR 5 -3.173 1.522 5.888 38 HA TYR 5 HA TYR 5 -5.222 1.395 7.935 39 HB2 TYR 5 HB2 TYR 5 -2.904 3.337 8.090 40 HB3 TYR 5 HB3 TYR 5 -4.425 3.591 8.933 41 HD1 TYR 5 HD1 TYR 5 -1.196 2.735 9.500 42 HD2 TYR 5 HD2 TYR 5 -5.085 1.158 10.249 43 HE1 TYR 5 HE1 TYR 5 -0.307 1.458 11.407 44 HE2 TYR 5 HE2 TYR 5 -4.196 -0.132 12.160 45 HH TYR 5 HH TYR 5 -1.048 0.430 13.416 46 H SER 6 H SER 6 -6.182 3.799 8.012 47 HA SER 6 HA SER 6 -5.945 5.054 5.362 48 HB2 SER 6 HB2 SER 6 -8.518 4.687 6.928 49 HB3 SER 6 HB3 SER 6 -8.343 5.569 5.404 50 HG SER 6 HG SER 6 -7.290 3.095 5.188 51 H ARG 7 H ARG 7 -6.513 7.305 5.322 52 HA ARG 7 HA ARG 7 -5.388 8.726 7.543 53 HB2 ARG 7 HB2 ARG 7 -5.559 9.225 4.861 54 HB3 ARG 7 HB3 ARG 7 -6.828 10.275 5.473 55 HG2 ARG 7 HG2 ARG 7 -3.964 10.310 6.397 56 HG3 ARG 7 HG3 ARG 7 -4.671 11.416 5.219 57 HD2 ARG 7 HD2 ARG 7 -6.284 12.150 6.936 58 HD3 ARG 7 HD3 ARG 7 -5.478 11.108 8.108 59 HE ARG 7 HE ARG 7 -4.097 13.340 6.735 60 HH11 ARG 7 HH11 ARG 7 -4.756 11.459 9.624 61 HH12 ARG 7 HH12 ARG 7 -3.850 12.515 10.670 62 HH21 ARG 7 HH21 ARG 7 -2.892 14.720 8.096 63 HH22 ARG 7 HH22 ARG 7 -2.776 14.366 9.797 64 H HIS 8 H HIS 8 -8.557 7.882 6.542 65 HA HIS 8 HA HIS 8 -9.731 9.386 8.759 66 HB2 HIS 8 HB2 HIS 8 -10.837 9.408 5.934 67 HB3 HIS 8 HB3 HIS 8 -11.608 10.129 7.341 68 HD2 HIS 8 HD2 HIS 8 -9.868 12.260 8.508 69 HE1 HIS 8 HE1 HIS 8 -8.456 13.188 4.634 70 HE2 HIS 8 HE2 HIS 8 -8.460 13.895 7.062 No H/Q in entry = 70 In of MODEL 1 1 HA PRO 9 HA PRO 9 -12.236 5.749 9.409 2 HB2 PRO 9 HB2 PRO 9 -14.773 7.248 9.220 3 HB3 PRO 9 HB3 PRO 9 -14.081 6.368 10.595 4 HG2 PRO 9 HG2 PRO 9 -14.168 9.073 10.550 5 HG3 PRO 9 HG3 PRO 9 -12.787 8.198 11.258 6 HD2 PRO 9 HD2 PRO 9 -13.036 9.492 8.566 7 HD3 PRO 9 HD3 PRO 9 -11.677 9.566 9.713 8 H ALA 10 H ALA 10 -13.264 4.117 8.248 9 HA ALA 10 HA ALA 10 -13.687 4.325 5.483 10 HB1 ALA 10 HB1 ALA 10 -14.624 2.053 5.684 11 HB2 ALA 10 HB2 ALA 10 -13.149 2.222 6.630 12 HB3 ALA 10 HB3 ALA 10 -14.716 2.253 7.431 13 H GLU 11 H GLU 11 -15.237 5.836 4.778 14 HA GLU 11 HA GLU 11 -17.988 5.277 5.701 15 HB2 GLU 11 HB2 GLU 11 -16.635 7.734 4.728 16 HB3 GLU 11 HB3 GLU 11 -18.305 7.528 4.235 17 HG2 GLU 11 HG2 GLU 11 -18.233 8.886 6.185 18 HG3 GLU 11 HG3 GLU 11 -18.927 7.339 6.626 19 H ASN 12 H ASN 12 -18.852 3.729 4.430 20 HA ASN 12 HA ASN 12 -18.220 2.997 1.856 21 HB2 ASN 12 HB2 ASN 12 -20.711 2.709 3.547 22 HB3 ASN 12 HB3 ASN 12 -20.718 2.051 1.930 23 HD21 ASN 12 HD21 ASN 12 -21.018 0.596 4.321 24 HD22 ASN 12 HD22 ASN 12 -19.677 -0.488 4.448 25 H GLY 13 H GLY 13 -18.003 4.389 0.248 26 HA2 GLY 13 HA2 GLY 13 -20.319 6.133 -0.428 27 HA3 GLY 13 HA3 GLY 13 -19.384 5.292 -1.655 28 H LYS 14 H LYS 14 -17.345 6.499 0.786 29 HA LYS 14 HA LYS 14 -17.004 9.086 -0.593 30 HB2 LYS 14 HB2 LYS 14 -15.394 8.021 1.724 31 HB3 LYS 14 HB3 LYS 14 -15.473 9.675 1.162 32 HG2 LYS 14 HG2 LYS 14 -17.847 8.239 2.316 33 HG3 LYS 14 HG3 LYS 14 -16.660 9.083 3.285 34 HD2 LYS 14 HD2 LYS 14 -18.505 10.516 2.996 35 HD3 LYS 14 HD3 LYS 14 -17.164 11.176 2.067 36 HE2 LYS 14 HE2 LYS 14 -19.073 11.408 0.713 37 HE3 LYS 14 HE3 LYS 14 -18.197 10.029 0.050 38 HZ1 LYS 14 HZ1 LYS 14 -20.516 9.876 1.903 39 HZ2 LYS 14 HZ2 LYS 14 -20.579 9.589 0.234 40 HZ3 LYS 14 HZ3 LYS 14 -19.698 8.551 1.243 41 H SER 15 H SER 15 -15.060 9.739 -1.551 42 HA SER 15 HA SER 15 -13.089 7.623 -1.974 43 HB2 SER 15 HB2 SER 15 -12.085 9.652 -3.425 44 HB3 SER 15 HB3 SER 15 -13.248 8.486 -4.066 45 HG SER 15 HG SER 15 -13.625 11.162 -3.266 46 H ASN 16 H ASN 16 -10.908 7.954 -1.460 47 HA ASN 16 HA ASN 16 -10.020 10.005 0.306 48 HB2 ASN 16 HB2 ASN 16 -11.926 8.647 1.565 49 HB3 ASN 16 HB3 ASN 16 -10.650 7.440 1.739 50 HD21 ASN 16 HD21 ASN 16 -12.179 9.228 3.622 51 HD22 ASN 16 HD22 ASN 16 -10.944 10.012 4.550 52 H PHE 17 H PHE 17 -8.090 8.618 1.737 53 HA PHE 17 HA PHE 17 -6.661 7.439 -0.564 54 HB2 PHE 17 HB2 PHE 17 -5.715 9.264 1.622 55 HB3 PHE 17 HB3 PHE 17 -4.576 8.278 0.711 56 HD1 PHE 17 HD1 PHE 17 -6.136 8.455 -1.937 57 HD2 PHE 17 HD2 PHE 17 -4.879 11.380 0.896 58 HE1 PHE 17 HE1 PHE 17 -6.055 10.147 -3.720 59 HE2 PHE 17 HE2 PHE 17 -4.812 13.074 -0.884 60 HZ PHE 17 HZ PHE 17 -5.395 12.458 -3.194 61 H LEU 18 H LEU 18 -5.789 5.489 -0.439 62 HA LEU 18 HA LEU 18 -5.959 4.021 2.080 63 HB2 LEU 18 HB2 LEU 18 -6.682 2.777 0.165 64 HB3 LEU 18 HB3 LEU 18 -5.228 3.184 -0.725 65 HG LEU 18 HG LEU 18 -3.890 1.684 0.674 66 HD11 LEU 18 HD11 LEU 18 -6.466 1.200 2.178 67 HD12 LEU 18 HD12 LEU 18 -5.011 0.217 2.330 68 HD13 LEU 18 HD13 LEU 18 -4.981 1.912 2.810 69 HD21 LEU 18 HD21 LEU 18 -6.434 0.380 -0.305 70 HD22 LEU 18 HD22 LEU 18 -4.993 0.719 -1.266 71 HD23 LEU 18 HD23 LEU 18 -4.918 -0.450 0.051 72 H ASN 19 H ASN 19 -4.346 3.767 3.425 73 HA ASN 19 HA ASN 19 -1.686 4.731 2.589 74 HB2 ASN 19 HB2 ASN 19 -2.060 6.188 4.307 75 HB3 ASN 19 HB3 ASN 19 -3.261 5.145 5.070 76 HD21 ASN 19 HD21 ASN 19 0.053 6.071 4.920 77 HD22 ASN 19 HD22 ASN 19 0.577 5.177 6.301 78 H CYS 20 H CYS 20 -0.185 3.244 2.292 79 HA CYS 20 HA CYS 20 -0.284 0.731 3.849 80 HB2 CYS 20 HB2 CYS 20 1.061 1.200 1.160 81 HB3 CYS 20 HB3 CYS 20 0.580 -0.336 1.872 82 H TYR 21 H TYR 21 1.332 0.895 5.424 83 HA TYR 21 HA TYR 21 3.689 2.530 4.888 84 HB2 TYR 21 HB2 TYR 21 2.923 0.948 7.349 85 HB3 TYR 21 HB3 TYR 21 4.386 1.890 7.200 86 HD1 TYR 21 HD1 TYR 21 4.222 4.382 7.056 87 HD2 TYR 21 HD2 TYR 21 0.872 1.937 8.002 88 HE1 TYR 21 HE1 TYR 21 3.085 6.331 8.039 89 HE2 TYR 21 HE2 TYR 21 -0.274 3.879 8.983 90 HH TYR 21 HH TYR 21 0.362 6.062 10.005 91 H VAL 22 H VAL 22 5.676 1.705 4.436 92 HA VAL 22 HA VAL 22 6.100 -1.178 4.816 93 HB VAL 22 HB VAL 22 6.974 0.406 2.365 94 HG11 VAL 22 HG11 VAL 22 8.516 -1.395 3.157 95 HG12 VAL 22 HG12 VAL 22 7.218 -2.557 2.880 96 HG13 VAL 22 HG13 VAL 22 7.883 -1.635 1.529 97 HG21 VAL 22 HG21 VAL 22 4.860 -1.748 2.630 98 HG22 VAL 22 HG22 VAL 22 4.594 -0.045 2.247 99 HG23 VAL 22 HG23 VAL 22 5.449 -1.079 1.098 100 H SER 23 H SER 23 7.654 -1.163 6.402 101 HA SER 23 HA SER 23 9.645 1.009 6.331 102 HB2 SER 23 HB2 SER 23 8.045 -0.048 8.674 103 HB3 SER 23 HB3 SER 23 9.444 1.018 8.864 104 HG SER 23 HG SER 23 6.931 1.652 8.354 105 H GLY 24 H GLY 24 11.766 0.513 6.642 106 HA2 GLY 24 HA2 GLY 24 12.482 -2.194 7.617 107 HA3 GLY 24 HA3 GLY 24 13.564 -0.800 7.613 108 H PHE 25 H PHE 25 11.878 -0.790 4.789 109 HA PHE 25 HA PHE 25 13.939 -2.367 3.392 110 HB2 PHE 25 HB2 PHE 25 11.229 -1.547 2.355 111 HB3 PHE 25 HB3 PHE 25 12.354 -2.674 1.605 112 HD1 PHE 25 HD1 PHE 25 10.067 -2.231 4.497 113 HD2 PHE 25 HD2 PHE 25 12.413 -4.975 2.224 114 HE1 PHE 25 HE1 PHE 25 8.993 -4.119 5.676 115 HE2 PHE 25 HE2 PHE 25 11.339 -6.868 3.400 116 HZ PHE 25 HZ PHE 25 9.620 -6.425 5.102 117 H HIS 26 H HIS 26 15.490 -0.705 3.102 118 HA HIS 26 HA HIS 26 15.367 1.772 2.189 119 HB2 HIS 26 HB2 HIS 26 17.056 -0.434 1.006 120 HB3 HIS 26 HB3 HIS 26 17.357 1.285 0.743 121 HD2 HIS 26 HD2 HIS 26 18.163 2.699 3.119 122 HE1 HIS 26 HE1 HIS 26 19.191 -0.870 5.149 123 HE2 HIS 26 HE2 HIS 26 19.537 1.643 5.053 No H/Q in entry = 123 In of MODEL 1 1 HA PRO 27 HA PRO 27 12.254 1.848 -0.917 2 HB2 PRO 27 HB2 PRO 27 13.613 4.401 -1.605 3 HB3 PRO 27 HB3 PRO 27 11.901 4.091 -1.281 4 HG2 PRO 27 HG2 PRO 27 13.457 5.257 0.546 5 HG3 PRO 27 HG3 PRO 27 12.201 4.091 1.018 6 HD2 PRO 27 HD2 PRO 27 15.167 3.756 0.888 7 HD3 PRO 27 HD3 PRO 27 13.992 3.029 2.005 8 H SER 28 H SER 28 15.626 2.066 -1.705 9 HA SER 28 HA SER 28 15.408 2.559 -4.447 10 HB2 SER 28 HB2 SER 28 17.522 2.948 -3.448 11 HB3 SER 28 HB3 SER 28 17.600 1.307 -2.802 12 HG SER 28 HG SER 28 17.791 0.533 -4.956 13 H ASP 29 H ASP 29 15.616 -0.634 -2.762 14 HA ASP 29 HA ASP 29 15.245 -1.830 -5.439 15 HB2 ASP 29 HB2 ASP 29 16.576 -3.202 -3.087 16 HB3 ASP 29 HB3 ASP 29 16.471 -3.786 -4.741 17 H ILE 30 H ILE 30 12.984 -1.083 -3.735 18 HA ILE 30 HA ILE 30 11.912 -3.812 -3.368 19 HB ILE 30 HB ILE 30 10.835 -3.314 -1.430 20 HG12 ILE 30 HG12 ILE 30 10.595 -0.388 -2.236 21 HG13 ILE 30 HG13 ILE 30 9.355 -1.618 -2.433 22 HG21 ILE 30 HG21 ILE 30 13.004 -1.223 -1.426 23 HG22 ILE 30 HG22 ILE 30 12.109 -1.727 0.006 24 HG23 ILE 30 HG23 ILE 30 13.113 -2.889 -0.859 25 HD11 ILE 30 HD11 ILE 30 9.281 -1.906 0.009 26 HD12 ILE 30 HD12 ILE 30 10.458 -0.602 0.169 27 HD13 ILE 30 HD13 ILE 30 8.863 -0.270 -0.507 28 H GLU 31 H GLU 31 9.551 -3.984 -3.652 29 HA GLU 31 HA GLU 31 8.440 -1.930 -5.438 30 HB2 GLU 31 HB2 GLU 31 8.618 -4.883 -5.880 31 HB3 GLU 31 HB3 GLU 31 7.242 -3.991 -6.520 32 HG2 GLU 31 HG2 GLU 31 10.134 -3.330 -7.136 33 HG3 GLU 31 HG3 GLU 31 9.024 -4.215 -8.177 34 H VAL 32 H VAL 32 6.518 -1.268 -4.839 35 HA VAL 32 HA VAL 32 4.778 -2.987 -3.218 36 HB VAL 32 HB VAL 32 5.239 -1.848 -1.318 37 HG11 VAL 32 HG11 VAL 32 7.293 -0.961 -2.350 38 HG12 VAL 32 HG12 VAL 32 6.379 0.440 -2.909 39 HG13 VAL 32 HG13 VAL 32 6.571 0.143 -1.179 40 HG21 VAL 32 HG21 VAL 32 3.067 -0.863 -1.893 41 HG22 VAL 32 HG22 VAL 32 4.072 0.220 -0.931 42 HG23 VAL 32 HG23 VAL 32 3.899 0.486 -2.666 43 H ASP 33 H ASP 33 2.645 -2.838 -3.716 44 HA ASP 33 HA ASP 33 1.740 -0.583 -5.384 45 HB2 ASP 33 HB2 ASP 33 1.316 -3.543 -6.017 46 HB3 ASP 33 HB3 ASP 33 0.307 -2.260 -6.689 47 H LEU 34 H LEU 34 -0.668 -0.485 -5.431 48 HA LEU 34 HA LEU 34 -1.812 -1.481 -2.905 49 HB2 LEU 34 HB2 LEU 34 -2.162 1.077 -4.387 50 HB3 LEU 34 HB3 LEU 34 -3.571 0.441 -3.563 51 HG LEU 34 HG LEU 34 -2.236 0.390 -1.441 52 HD11 LEU 34 HD11 LEU 34 -0.010 0.362 -2.563 53 HD12 LEU 34 HD12 LEU 34 -0.238 2.074 -2.932 54 HD13 LEU 34 HD13 LEU 34 -0.167 1.525 -1.250 55 HD21 LEU 34 HD21 LEU 34 -3.773 2.229 -1.978 56 HD22 LEU 34 HD22 LEU 34 -2.409 2.745 -0.987 57 HD23 LEU 34 HD23 LEU 34 -2.435 3.110 -2.714 58 H LEU 35 H LEU 35 -3.505 -2.845 -2.992 59 HA LEU 35 HA LEU 35 -4.461 -3.556 -5.693 60 HB2 LEU 35 HB2 LEU 35 -4.007 -5.450 -3.387 61 HB3 LEU 35 HB3 LEU 35 -4.490 -5.869 -5.013 62 HG LEU 35 HG LEU 35 -1.789 -5.029 -4.015 63 HD11 LEU 35 HD11 LEU 35 -2.832 -7.338 -5.661 64 HD12 LEU 35 HD12 LEU 35 -1.141 -7.087 -5.236 65 HD13 LEU 35 HD13 LEU 35 -2.337 -7.396 -3.969 66 HD21 LEU 35 HD21 LEU 35 -2.401 -3.700 -6.082 67 HD22 LEU 35 HD22 LEU 35 -0.969 -4.718 -6.211 68 HD23 LEU 35 HD23 LEU 35 -2.486 -5.238 -6.937 69 H LYS 36 H LYS 36 -6.386 -4.868 -5.744 70 HA LYS 36 HA LYS 36 -8.263 -4.630 -3.488 71 HB2 LYS 36 HB2 LYS 36 -9.210 -5.079 -6.291 72 HB3 LYS 36 HB3 LYS 36 -10.046 -4.262 -4.950 73 HG2 LYS 36 HG2 LYS 36 -8.566 -2.333 -5.247 74 HG3 LYS 36 HG3 LYS 36 -7.683 -3.182 -6.500 75 HD2 LYS 36 HD2 LYS 36 -9.389 -1.430 -7.308 76 HD3 LYS 36 HD3 LYS 36 -9.390 -2.998 -8.095 77 HE2 LYS 36 HE2 LYS 36 -11.415 -3.569 -6.572 78 HE3 LYS 36 HE3 LYS 36 -11.488 -1.838 -6.217 79 HZ1 LYS 36 HZ1 LYS 36 -11.664 -1.394 -8.565 80 HZ2 LYS 36 HZ2 LYS 36 -11.605 -3.052 -8.918 81 HZ3 LYS 36 HZ3 LYS 36 -12.913 -2.415 -8.044 82 H ASN 37 H ASN 37 -8.304 -6.703 -2.613 83 HA ASN 37 HA ASN 37 -7.893 -8.965 -2.525 84 HB2 ASN 37 HB2 ASN 37 -9.677 -10.162 -4.026 85 HB3 ASN 37 HB3 ASN 37 -10.207 -9.123 -2.712 86 HD21 ASN 37 HD21 ASN 37 -10.819 -6.948 -3.253 87 HD22 ASN 37 HD22 ASN 37 -11.528 -6.600 -4.789 88 H GLY 38 H GLY 38 -5.806 -8.156 -3.804 89 HA2 GLY 38 HA2 GLY 38 -5.171 -10.259 -5.608 90 HA3 GLY 38 HA3 GLY 38 -4.106 -8.949 -5.156 91 H GLU 39 H GLU 39 -6.130 -6.931 -6.207 92 HA GLU 39 HA GLU 39 -5.479 -7.313 -9.055 93 HB2 GLU 39 HB2 GLU 39 -7.887 -7.739 -8.664 94 HB3 GLU 39 HB3 GLU 39 -8.044 -6.145 -7.948 95 HG2 GLU 39 HG2 GLU 39 -8.890 -6.161 -10.231 96 HG3 GLU 39 HG3 GLU 39 -7.473 -5.115 -10.086 97 H ARG 40 H ARG 40 -4.259 -5.715 -9.807 98 HA ARG 40 HA ARG 40 -3.379 -3.621 -8.142 99 HB2 ARG 40 HB2 ARG 40 -2.468 -4.746 -10.484 100 HB3 ARG 40 HB3 ARG 40 -3.020 -3.177 -11.050 101 HG2 ARG 40 HG2 ARG 40 -1.587 -2.115 -9.309 102 HG3 ARG 40 HG3 ARG 40 -0.958 -3.714 -8.916 103 HD2 ARG 40 HD2 ARG 40 0.632 -2.705 -10.367 104 HD3 ARG 40 HD3 ARG 40 -0.232 -3.891 -11.352 105 HE ARG 40 HE ARG 40 -1.446 -2.098 -12.380 106 HH11 ARG 40 HH11 ARG 40 1.221 -1.076 -10.331 107 HH12 ARG 40 HH12 ARG 40 1.427 0.439 -11.153 108 HH21 ARG 40 HH21 ARG 40 -1.192 -0.084 -13.440 109 HH22 ARG 40 HH22 ARG 40 0.063 1.012 -12.917 110 H ILE 41 H ILE 41 -4.278 -1.806 -7.611 111 HA ILE 41 HA ILE 41 -6.723 -0.863 -8.647 112 HB ILE 41 HB ILE 41 -4.693 0.569 -6.926 113 HG12 ILE 41 HG12 ILE 41 -7.167 -0.996 -6.178 114 HG13 ILE 41 HG13 ILE 41 -5.517 -1.582 -6.006 115 HG21 ILE 41 HG21 ILE 41 -6.250 2.141 -7.956 116 HG22 ILE 41 HG22 ILE 41 -7.612 1.178 -7.400 117 HG23 ILE 41 HG23 ILE 41 -6.572 1.991 -6.231 118 HD11 ILE 41 HD11 ILE 41 -6.416 0.912 -4.636 119 HD12 ILE 41 HD12 ILE 41 -6.717 -0.688 -3.952 120 HD13 ILE 41 HD13 ILE 41 -5.059 -0.155 -4.259 121 H GLU 42 H GLU 42 -3.800 1.156 -8.543 122 HA GLU 42 HA GLU 42 -2.376 1.252 -10.540 123 HB2 GLU 42 HB2 GLU 42 -4.969 1.847 -11.978 124 HB3 GLU 42 HB3 GLU 42 -3.367 2.059 -12.667 125 HG2 GLU 42 HG2 GLU 42 -3.116 -0.474 -11.996 126 HG3 GLU 42 HG3 GLU 42 -4.874 -0.434 -12.110 127 H LYS 43 H LYS 43 -4.942 3.336 -9.285 128 HA LYS 43 HA LYS 43 -3.686 5.713 -10.355 129 HB2 LYS 43 HB2 LYS 43 -5.851 5.626 -8.257 130 HB3 LYS 43 HB3 LYS 43 -5.507 6.901 -9.415 131 HG2 LYS 43 HG2 LYS 43 -6.840 4.242 -9.930 132 HG3 LYS 43 HG3 LYS 43 -7.507 5.864 -10.142 133 HD2 LYS 43 HD2 LYS 43 -5.237 4.680 -11.748 134 HD3 LYS 43 HD3 LYS 43 -6.912 4.811 -12.286 135 HE2 LYS 43 HE2 LYS 43 -6.800 7.212 -12.212 136 HE3 LYS 43 HE3 LYS 43 -5.192 7.154 -11.490 137 HZ1 LYS 43 HZ1 LYS 43 -5.814 6.045 -14.168 138 HZ2 LYS 43 HZ2 LYS 43 -5.242 7.621 -13.923 139 HZ3 LYS 43 HZ3 LYS 43 -4.283 6.294 -13.483 140 H VAL 44 H VAL 44 -1.716 4.646 -9.078 141 HA VAL 44 HA VAL 44 -1.692 5.774 -6.372 142 HB VAL 44 HB VAL 44 -1.675 3.081 -6.790 143 HG11 VAL 44 HG11 VAL 44 1.212 3.901 -6.700 144 HG12 VAL 44 HG12 VAL 44 0.620 2.262 -6.420 145 HG13 VAL 44 HG13 VAL 44 0.407 3.021 -7.999 146 HG21 VAL 44 HG21 VAL 44 -1.912 4.185 -4.649 147 HG22 VAL 44 HG22 VAL 44 -0.756 2.853 -4.552 148 HG23 VAL 44 HG23 VAL 44 -0.182 4.523 -4.620 149 H GLU 45 H GLU 45 0.053 7.024 -5.966 150 HA GLU 45 HA GLU 45 2.310 6.851 -7.812 151 HB2 GLU 45 HB2 GLU 45 0.498 9.189 -7.534 152 HB3 GLU 45 HB3 GLU 45 2.216 9.506 -7.732 153 HG2 GLU 45 HG2 GLU 45 0.586 7.801 -9.606 154 HG3 GLU 45 HG3 GLU 45 0.927 9.516 -9.849 155 H HIS 46 H HIS 46 3.907 6.363 -6.497 156 HA HIS 46 HA HIS 46 4.880 8.674 -5.042 157 HB2 HIS 46 HB2 HIS 46 4.061 7.273 -3.224 158 HB3 HIS 46 HB3 HIS 46 4.875 5.865 -3.899 159 HD2 HIS 46 HD2 HIS 46 6.375 9.410 -2.993 160 HE1 HIS 46 HE1 HIS 46 8.604 6.353 -1.118 161 HE2 HIS 46 HE2 HIS 46 8.255 8.856 -1.292 162 H SER 47 H SER 47 6.810 9.128 -5.819 163 HA SER 47 HA SER 47 8.089 7.151 -7.547 164 HB2 SER 47 HB2 SER 47 7.642 9.425 -8.422 165 HB3 SER 47 HB3 SER 47 8.671 10.101 -7.161 166 HG SER 47 HG SER 47 10.018 9.917 -8.841 167 H ASP 48 H ASP 48 10.049 6.285 -7.153 168 HA ASP 48 HA ASP 48 10.921 6.235 -4.462 169 HB2 ASP 48 HB2 ASP 48 12.550 4.647 -5.149 170 HB3 ASP 48 HB3 ASP 48 11.112 4.342 -6.116 171 H LEU 49 H LEU 49 12.976 6.788 -3.650 172 HA LEU 49 HA LEU 49 14.129 9.155 -4.981 173 HB2 LEU 49 HB2 LEU 49 14.484 9.938 -2.486 174 HB3 LEU 49 HB3 LEU 49 12.998 10.317 -3.341 175 HG LEU 49 HG LEU 49 12.629 9.652 -0.983 176 HD11 LEU 49 HD11 LEU 49 11.475 7.709 -2.963 177 HD12 LEU 49 HD12 LEU 49 10.910 7.913 -1.305 178 HD13 LEU 49 HD13 LEU 49 10.784 9.250 -2.449 179 HD21 LEU 49 HD21 LEU 49 14.512 8.091 -0.748 180 HD22 LEU 49 HD22 LEU 49 12.983 7.431 -0.169 181 HD23 LEU 49 HD23 LEU 49 13.629 6.913 -1.723 182 H SER 50 H SER 50 15.202 6.646 -5.255 183 HA SER 50 HA SER 50 16.677 5.678 -3.105 184 HB2 SER 50 HB2 SER 50 17.832 4.356 -4.997 185 HB3 SER 50 HB3 SER 50 16.097 4.135 -4.753 186 HG SER 50 HG SER 50 15.686 5.095 -6.609 187 H PHE 51 H PHE 51 17.825 7.355 -6.016 188 HA PHE 51 HA PHE 51 19.672 8.571 -6.475 189 HB2 PHE 51 HB2 PHE 51 19.149 9.858 -4.454 190 HB3 PHE 51 HB3 PHE 51 20.048 8.703 -3.475 191 HD1 PHE 51 HD1 PHE 51 22.293 9.071 -3.043 192 HD2 PHE 51 HD2 PHE 51 20.462 11.028 -6.347 193 HE1 PHE 51 HE1 PHE 51 24.357 10.360 -3.418 194 HE2 PHE 51 HE2 PHE 51 22.519 12.322 -6.726 195 HZ PHE 51 HZ PHE 51 24.470 11.989 -5.262 196 H SER 52 H SER 52 20.455 6.339 -3.777 197 HA SER 52 HA SER 52 22.423 5.061 -5.483 198 HB2 SER 52 HB2 SER 52 24.211 5.232 -3.733 199 HB3 SER 52 HB3 SER 52 23.807 6.764 -4.502 200 HG SER 52 HG SER 52 22.346 7.056 -2.607 201 H LYS 53 H LYS 53 22.244 4.935 -1.943 202 HA LYS 53 HA LYS 53 21.368 2.143 -2.209 203 HB2 LYS 53 HB2 LYS 53 23.511 2.552 -1.007 204 HB3 LYS 53 HB3 LYS 53 22.625 3.481 0.195 205 HG2 LYS 53 HG2 LYS 53 23.082 1.217 0.974 206 HG3 LYS 53 HG3 LYS 53 21.348 1.502 0.810 207 HD2 LYS 53 HD2 LYS 53 21.461 0.413 -1.439 208 HD3 LYS 53 HD3 LYS 53 23.139 -0.005 -1.094 209 HE2 LYS 53 HE2 LYS 53 20.711 -0.893 0.456 210 HE3 LYS 53 HE3 LYS 53 21.683 -1.887 -0.628 211 HZ1 LYS 53 HZ1 LYS 53 23.601 -1.276 0.942 212 HZ2 LYS 53 HZ2 LYS 53 22.385 -0.827 2.036 213 HZ3 LYS 53 HZ3 LYS 53 22.464 -2.419 1.470 214 H ASP 54 H ASP 54 20.468 5.250 -0.942 215 HA ASP 54 HA ASP 54 18.488 6.052 -0.294 216 HB2 ASP 54 HB2 ASP 54 17.658 4.023 -1.802 217 HB3 ASP 54 HB3 ASP 54 17.105 3.421 -0.241 218 H TRP 55 H TRP 55 16.646 5.473 1.454 219 HA TRP 55 HA TRP 55 17.735 4.229 3.829 220 HB2 TRP 55 HB2 TRP 55 18.920 6.402 3.699 221 HB3 TRP 55 HB3 TRP 55 17.373 7.229 3.681 222 HD1 TRP 55 HD1 TRP 55 17.967 8.598 5.838 223 HE1 TRP 55 HE1 TRP 55 18.075 8.016 8.311 224 HE3 TRP 55 HE3 TRP 55 17.887 3.433 5.476 225 HZ2 TRP 55 HZ2 TRP 55 18.104 5.678 9.943 226 HZ3 TRP 55 HZ3 TRP 55 17.952 2.138 7.557 227 HH2 TRP 55 HH2 TRP 55 18.056 3.224 9.737 228 H SER 56 H SER 56 15.973 3.196 4.509 229 HA SER 56 HA SER 56 13.327 4.154 3.886 230 HB2 SER 56 HB2 SER 56 14.036 1.732 3.818 231 HB3 SER 56 HB3 SER 56 14.086 1.770 5.580 232 HG SER 56 HG SER 56 11.909 1.770 3.851 233 H PHE 57 H PHE 57 12.620 5.931 5.231 234 HA PHE 57 HA PHE 57 12.792 5.443 8.119 235 HB2 PHE 57 HB2 PHE 57 12.788 8.062 8.164 236 HB3 PHE 57 HB3 PHE 57 14.291 7.212 7.844 237 HD1 PHE 57 HD1 PHE 57 15.595 8.308 6.326 238 HD2 PHE 57 HD2 PHE 57 11.380 8.260 5.726 239 HE1 PHE 57 HE1 PHE 57 15.881 9.541 4.214 240 HE2 PHE 57 HE2 PHE 57 11.664 9.485 3.612 241 HZ PHE 57 HZ PHE 57 13.917 10.130 2.858 242 H TYR 58 H TYR 58 10.698 5.093 5.881 243 HA TYR 58 HA TYR 58 8.274 5.542 6.656 244 HB2 TYR 58 HB2 TYR 58 8.967 7.833 7.490 245 HB3 TYR 58 HB3 TYR 58 9.135 8.337 5.815 246 HD1 TYR 58 HD1 TYR 58 7.305 9.484 4.880 247 HD2 TYR 58 HD2 TYR 58 6.584 6.683 8.011 248 HE1 TYR 58 HE1 TYR 58 4.898 10.075 4.853 249 HE2 TYR 58 HE2 TYR 58 4.187 7.265 7.990 250 HH TYR 58 HH TYR 58 2.724 8.981 7.320 251 H LEU 59 H LEU 59 8.123 4.102 4.851 252 HA LEU 59 HA LEU 59 7.955 5.393 2.210 253 HB2 LEU 59 HB2 LEU 59 8.289 2.621 3.208 254 HB3 LEU 59 HB3 LEU 59 7.344 2.815 1.748 255 HG LEU 59 HG LEU 59 10.070 4.034 1.928 256 HD11 LEU 59 HD11 LEU 59 10.278 1.680 2.622 257 HD12 LEU 59 HD12 LEU 59 9.482 1.195 1.124 258 HD13 LEU 59 HD13 LEU 59 11.046 2.006 1.070 259 HD21 LEU 59 HD21 LEU 59 8.354 2.969 -0.308 260 HD22 LEU 59 HD22 LEU 59 8.702 4.663 0.039 261 HD23 LEU 59 HD23 LEU 59 9.989 3.593 -0.508 262 H LEU 60 H LEU 60 6.013 6.117 1.581 263 HA LEU 60 HA LEU 60 3.681 4.455 2.111 264 HB2 LEU 60 HB2 LEU 60 3.581 6.091 3.834 265 HB3 LEU 60 HB3 LEU 60 4.010 7.377 2.726 266 HG LEU 60 HG LEU 60 1.822 7.118 1.606 267 HD11 LEU 60 HD11 LEU 60 1.273 5.145 3.811 268 HD12 LEU 60 HD12 LEU 60 0.090 5.765 2.658 269 HD13 LEU 60 HD13 LEU 60 1.434 4.774 2.094 270 HD21 LEU 60 HD21 LEU 60 1.681 7.559 4.583 271 HD22 LEU 60 HD22 LEU 60 2.079 8.771 3.367 272 HD23 LEU 60 HD23 LEU 60 0.465 8.064 3.412 273 H TYR 61 H TYR 61 2.167 4.503 0.508 274 HA TYR 61 HA TYR 61 2.656 6.201 -1.855 275 HB2 TYR 61 HB2 TYR 61 1.825 3.269 -1.672 276 HB3 TYR 61 HB3 TYR 61 1.624 4.219 -3.153 277 HD1 TYR 61 HD1 TYR 61 4.368 3.440 -0.672 278 HD2 TYR 61 HD2 TYR 61 3.278 4.018 -4.748 279 HE1 TYR 61 HE1 TYR 61 6.677 2.900 -1.369 280 HE2 TYR 61 HE2 TYR 61 5.570 3.477 -5.449 281 HH TYR 61 HH TYR 61 7.839 3.531 -4.469 282 H TYR 62 H TYR 62 0.476 6.530 -3.123 283 HA TYR 62 HA TYR 62 -1.791 6.283 -1.303 284 HB2 TYR 62 HB2 TYR 62 -2.464 8.686 -1.748 285 HB3 TYR 62 HB3 TYR 62 -1.141 8.415 -0.630 286 HD1 TYR 62 HD1 TYR 62 1.038 9.292 -1.063 287 HD2 TYR 62 HD2 TYR 62 -1.987 9.607 -4.040 288 HE1 TYR 62 HE1 TYR 62 2.424 10.909 -2.289 289 HE2 TYR 62 HE2 TYR 62 -0.604 11.218 -5.279 290 HH TYR 62 HH TYR 62 1.201 12.763 -4.904 291 H THR 63 H THR 63 -3.742 5.966 -2.212 292 HA THR 63 HA THR 63 -4.139 6.524 -5.057 293 HB THR 63 HB THR 63 -3.328 4.068 -4.620 294 HG1 THR 63 HG1 THR 63 -4.513 5.107 -6.522 295 HG21 THR 63 HG21 THR 63 -4.918 3.567 -2.802 296 HG22 THR 63 HG22 THR 63 -6.254 3.814 -3.926 297 HG23 THR 63 HG23 THR 63 -5.124 2.487 -4.177 298 H GLU 64 H GLU 64 -6.238 6.999 -5.587 299 HA GLU 64 HA GLU 64 -8.138 7.765 -3.689 300 HB2 GLU 64 HB2 GLU 64 -7.856 8.311 -6.250 301 HB3 GLU 64 HB3 GLU 64 -8.873 6.892 -6.475 302 HG2 GLU 64 HG2 GLU 64 -10.336 8.725 -6.537 303 HG3 GLU 64 HG3 GLU 64 -10.561 7.983 -4.954 304 H PHE 65 H PHE 65 -9.535 6.497 -2.418 305 HA PHE 65 HA PHE 65 -10.397 3.961 -3.633 306 HB2 PHE 65 HB2 PHE 65 -10.307 2.870 -1.551 307 HB3 PHE 65 HB3 PHE 65 -8.836 3.807 -1.681 308 HD1 PHE 65 HD1 PHE 65 -8.092 4.451 0.349 309 HD2 PHE 65 HD2 PHE 65 -12.267 4.644 -0.417 310 HE1 PHE 65 HE1 PHE 65 -8.466 5.382 2.604 311 HE2 PHE 65 HE2 PHE 65 -12.633 5.594 1.821 312 HZ PHE 65 HZ PHE 65 -10.748 5.959 3.339 313 H THR 66 H THR 66 -12.533 3.317 -3.371 314 HA THR 66 HA THR 66 -14.202 4.924 -1.547 315 HB THR 66 HB THR 66 -15.109 3.859 -4.244 316 HG1 THR 66 HG1 THR 66 -13.864 6.193 -3.483 317 HG21 THR 66 HG21 THR 66 -16.464 5.581 -2.147 318 HG22 THR 66 HG22 THR 66 -17.076 5.341 -3.789 319 HG23 THR 66 HG23 THR 66 -16.943 3.971 -2.690 No H/Q in entry = 319 In of MODEL 1 1 HA PRO 67 HA PRO 67 -14.584 0.642 -0.152 2 HB2 PRO 67 HB2 PRO 67 -16.002 1.398 2.179 3 HB3 PRO 67 HB3 PRO 67 -14.301 0.958 2.052 4 HG2 PRO 67 HG2 PRO 67 -15.358 3.538 2.591 5 HG3 PRO 67 HG3 PRO 67 -13.666 3.098 2.331 6 HD2 PRO 67 HD2 PRO 67 -15.524 4.473 0.574 7 HD3 PRO 67 HD3 PRO 67 -13.762 4.326 0.445 8 H THR 68 H THR 68 -16.007 -0.780 -0.447 9 HA THR 68 HA THR 68 -18.861 -0.127 -0.561 10 HB THR 68 HB THR 68 -19.028 -1.541 -2.632 11 HG1 THR 68 HG1 THR 68 -16.341 -1.277 -3.232 12 HG21 THR 68 HG21 THR 68 -17.184 0.835 -2.887 13 HG22 THR 68 HG22 THR 68 -18.094 0.097 -4.204 14 HG23 THR 68 HG23 THR 68 -18.947 0.881 -2.875 15 H GLU 69 H GLU 69 -20.200 -2.030 -0.295 16 HA GLU 69 HA GLU 69 -19.298 -3.870 1.607 17 HB2 GLU 69 HB2 GLU 69 -21.600 -3.377 1.546 18 HB3 GLU 69 HB3 GLU 69 -21.749 -3.730 -0.167 19 HG2 GLU 69 HG2 GLU 69 -22.797 -5.484 0.992 20 HG3 GLU 69 HG3 GLU 69 -21.267 -6.111 0.372 21 H LYS 70 H LYS 70 -18.417 -3.838 -1.601 22 HA LYS 70 HA LYS 70 -18.156 -6.754 -1.669 23 HB2 LYS 70 HB2 LYS 70 -18.256 -4.800 -3.964 24 HB3 LYS 70 HB3 LYS 70 -17.918 -6.509 -4.148 25 HG2 LYS 70 HG2 LYS 70 -20.473 -5.626 -2.843 26 HG3 LYS 70 HG3 LYS 70 -20.309 -5.608 -4.599 27 HD2 LYS 70 HD2 LYS 70 -21.130 -7.715 -4.357 28 HD3 LYS 70 HD3 LYS 70 -19.420 -8.084 -4.154 29 HE2 LYS 70 HE2 LYS 70 -20.613 -9.212 -2.429 30 HE3 LYS 70 HE3 LYS 70 -19.771 -7.864 -1.679 31 HZ1 LYS 70 HZ1 LYS 70 -21.872 -6.590 -1.817 32 HZ2 LYS 70 HZ2 LYS 70 -22.645 -7.990 -2.385 33 HZ3 LYS 70 HZ3 LYS 70 -21.982 -7.965 -0.829 34 H ASP 71 H ASP 71 -16.157 -3.826 -1.853 35 HA ASP 71 HA ASP 71 -14.048 -5.467 -3.049 36 HB2 ASP 71 HB2 ASP 71 -14.713 -3.413 -4.262 37 HB3 ASP 71 HB3 ASP 71 -14.194 -2.447 -2.882 38 H GLU 72 H GLU 72 -12.216 -5.881 -2.114 39 HA GLU 72 HA GLU 72 -11.645 -4.990 0.640 40 HB2 GLU 72 HB2 GLU 72 -11.940 -7.381 0.305 41 HB3 GLU 72 HB3 GLU 72 -10.804 -7.398 -1.017 42 HG2 GLU 72 HG2 GLU 72 -9.881 -6.577 1.687 43 HG3 GLU 72 HG3 GLU 72 -10.153 -8.281 1.352 44 H TYR 73 H TYR 73 -9.599 -4.049 1.082 45 HA TYR 73 HA TYR 73 -8.045 -3.313 -1.317 46 HB2 TYR 73 HB2 TYR 73 -8.630 -1.681 1.166 47 HB3 TYR 73 HB3 TYR 73 -7.394 -1.244 -0.005 48 HD1 TYR 73 HD1 TYR 73 -7.942 -0.034 -1.919 49 HD2 TYR 73 HD2 TYR 73 -11.042 -1.876 0.335 50 HE1 TYR 73 HE1 TYR 73 -9.621 1.168 -3.255 51 HE2 TYR 73 HE2 TYR 73 -12.732 -0.672 -0.998 52 HH TYR 73 HH TYR 73 -12.067 0.813 -3.891 53 H ALA 74 H ALA 74 -5.963 -3.826 -1.343 54 HA ALA 74 HA ALA 74 -4.682 -4.709 1.152 55 HB1 ALA 74 HB1 ALA 74 -5.561 -6.666 -0.020 56 HB2 ALA 74 HB2 ALA 74 -4.667 -6.199 -1.471 57 HB3 ALA 74 HB3 ALA 74 -3.798 -6.660 -0.001 58 H CYS 75 H CYS 75 -2.327 -4.682 1.080 59 HA CYS 75 HA CYS 75 -1.267 -3.068 -1.153 60 HB2 CYS 75 HB2 CYS 75 -0.654 -2.781 1.785 61 HB3 CYS 75 HB3 CYS 75 0.121 -1.866 0.529 62 H ARG 76 H ARG 76 0.378 -4.020 -2.199 63 HA ARG 76 HA ARG 76 1.492 -6.476 -1.027 64 HB2 ARG 76 HB2 ARG 76 0.236 -6.343 -3.312 65 HB3 ARG 76 HB3 ARG 76 1.780 -5.727 -3.916 66 HG2 ARG 76 HG2 ARG 76 2.813 -7.747 -3.671 67 HG3 ARG 76 HG3 ARG 76 1.807 -8.240 -2.315 68 HD2 ARG 76 HD2 ARG 76 -0.099 -8.505 -3.968 69 HD3 ARG 76 HD3 ARG 76 1.099 -8.286 -5.261 70 HE ARG 76 HE ARG 76 1.496 -10.413 -3.283 71 HH11 ARG 76 HH11 ARG 76 0.895 -9.404 -6.578 72 HH12 ARG 76 HH12 ARG 76 0.993 -11.017 -7.227 73 HH21 ARG 76 HH21 ARG 76 1.667 -12.532 -4.133 74 HH22 ARG 76 HH22 ARG 76 1.468 -12.785 -5.840 75 H VAL 77 H VAL 77 3.661 -6.673 -0.621 76 HA VAL 77 HA VAL 77 5.466 -4.800 -2.001 77 HB VAL 77 HB VAL 77 4.957 -4.205 0.481 78 HG11 VAL 77 HG11 VAL 77 5.285 -6.438 1.399 79 HG12 VAL 77 HG12 VAL 77 6.967 -6.420 0.865 80 HG13 VAL 77 HG13 VAL 77 6.420 -5.285 2.101 81 HG21 VAL 77 HG21 VAL 77 6.652 -3.142 -0.918 82 HG22 VAL 77 HG22 VAL 77 7.196 -3.328 0.753 83 HG23 VAL 77 HG23 VAL 77 7.794 -4.423 -0.492 84 H ASN 78 H ASN 78 7.384 -5.495 -2.608 85 HA ASN 78 HA ASN 78 8.207 -8.246 -1.916 86 HB2 ASN 78 HB2 ASN 78 7.062 -8.079 -4.209 87 HB3 ASN 78 HB3 ASN 78 8.485 -7.170 -4.728 88 HD21 ASN 78 HD21 ASN 78 9.136 -8.731 -6.198 89 HD22 ASN 78 HD22 ASN 78 9.774 -10.263 -5.701 90 H HIS 79 H HIS 79 10.335 -8.609 -1.719 91 HA HIS 79 HA HIS 79 12.215 -6.497 -2.503 92 HB2 HIS 79 HB2 HIS 79 11.771 -6.436 -0.013 93 HB3 HIS 79 HB3 HIS 79 12.403 -8.073 0.082 94 HD2 HIS 79 HD2 HIS 79 13.658 -4.420 -0.237 95 HE1 HIS 79 HE1 HIS 79 17.013 -6.989 0.004 96 HE2 HIS 79 HE2 HIS 79 16.253 -4.575 -0.151 97 H VAL 80 H VAL 80 14.433 -7.389 -2.807 98 HA VAL 80 HA VAL 80 14.501 -9.609 -4.442 99 HB VAL 80 HB VAL 80 16.807 -8.624 -2.751 100 HG11 VAL 80 HG11 VAL 80 17.229 -10.841 -3.682 101 HG12 VAL 80 HG12 VAL 80 16.798 -10.262 -5.291 102 HG13 VAL 80 HG13 VAL 80 18.230 -9.630 -4.481 103 HG21 VAL 80 HG21 VAL 80 15.950 -7.847 -5.537 104 HG22 VAL 80 HG22 VAL 80 15.864 -6.836 -4.096 105 HG23 VAL 80 HG23 VAL 80 17.431 -7.323 -4.737 106 H THR 81 H THR 81 14.778 -9.524 -0.939 107 HA THR 81 HA THR 81 15.827 -12.164 -0.647 108 HB THR 81 HB THR 81 16.071 -10.758 1.257 109 HG1 THR 81 HG1 THR 81 14.083 -12.295 2.403 110 HG21 THR 81 HG21 THR 81 13.055 -10.496 1.311 111 HG22 THR 81 HG22 THR 81 14.157 -9.873 2.538 112 HG23 THR 81 HG23 THR 81 14.206 -9.224 0.899 113 H LEU 82 H LEU 82 12.458 -10.950 -0.357 114 HA LEU 82 HA LEU 82 11.288 -13.508 -0.160 115 HB2 LEU 82 HB2 LEU 82 9.944 -11.196 -1.538 116 HB3 LEU 82 HB3 LEU 82 9.213 -12.494 -0.612 117 HG LEU 82 HG LEU 82 10.886 -10.298 0.590 118 HD11 LEU 82 HD11 LEU 82 7.908 -10.666 0.470 119 HD12 LEU 82 HD12 LEU 82 8.758 -9.436 1.410 120 HD13 LEU 82 HD13 LEU 82 8.855 -9.422 -0.349 121 HD21 LEU 82 HD21 LEU 82 10.877 -12.417 1.854 122 HD22 LEU 82 HD22 LEU 82 10.041 -11.117 2.706 123 HD23 LEU 82 HD23 LEU 82 9.114 -12.369 1.875 124 H SER 83 H SER 83 10.410 -14.873 -1.710 125 HA SER 83 HA SER 83 11.143 -14.336 -4.507 126 HB2 SER 83 HB2 SER 83 10.131 -16.881 -3.216 127 HB3 SER 83 HB3 SER 83 10.727 -16.715 -4.870 128 HG SER 83 HG SER 83 12.568 -15.750 -3.209 129 H GLN 84 H GLN 84 8.668 -13.951 -2.386 130 HA GLN 84 HA GLN 84 6.757 -13.580 -4.540 131 HB2 GLN 84 HB2 GLN 84 4.954 -14.797 -3.346 132 HB3 GLN 84 HB3 GLN 84 6.268 -15.855 -3.833 133 HG2 GLN 84 HG2 GLN 84 7.117 -15.868 -1.536 134 HG3 GLN 84 HG3 GLN 84 5.837 -14.751 -1.053 135 HE21 GLN 84 HE21 GLN 84 3.712 -15.491 -0.925 136 HE22 GLN 84 HE22 GLN 84 3.328 -17.179 -0.881 No H/Q in entry = 136 In of MODEL 1 1 HA PRO 85 HA PRO 85 6.150 -9.962 -1.880 2 HB2 PRO 85 HB2 PRO 85 3.955 -8.978 -3.226 3 HB3 PRO 85 HB3 PRO 85 5.641 -8.583 -3.597 4 HG2 PRO 85 HG2 PRO 85 3.796 -10.470 -4.972 5 HG3 PRO 85 HG3 PRO 85 5.115 -9.487 -5.644 6 HD2 PRO 85 HD2 PRO 85 5.336 -12.208 -5.214 7 HD3 PRO 85 HD3 PRO 85 6.736 -11.091 -5.157 8 H LYS 86 H LYS 86 4.602 -9.253 -0.412 9 HA LYS 86 HA LYS 86 2.613 -11.336 0.205 10 HB2 LYS 86 HB2 LYS 86 3.853 -9.360 2.135 11 HB3 LYS 86 HB3 LYS 86 2.770 -10.681 2.544 12 HG2 LYS 86 HG2 LYS 86 5.634 -10.809 1.651 13 HG3 LYS 86 HG3 LYS 86 4.916 -11.425 3.141 14 HD2 LYS 86 HD2 LYS 86 3.522 -12.897 1.437 15 HD3 LYS 86 HD3 LYS 86 4.910 -12.573 0.396 16 HE2 LYS 86 HE2 LYS 86 5.013 -13.807 3.151 17 HE3 LYS 86 HE3 LYS 86 5.171 -14.678 1.626 18 HZ1 LYS 86 HZ1 LYS 86 7.170 -13.331 1.168 19 HZ2 LYS 86 HZ2 LYS 86 7.033 -12.632 2.709 20 HZ3 LYS 86 HZ3 LYS 86 7.323 -14.295 2.554 21 H ILE 87 H ILE 87 0.573 -10.744 0.958 22 HA ILE 87 HA ILE 87 -0.198 -7.991 0.281 23 HB ILE 87 HB ILE 87 -1.523 -10.536 -0.300 24 HG12 ILE 87 HG12 ILE 87 -0.904 -9.227 -2.149 25 HG13 ILE 87 HG13 ILE 87 -2.643 -8.967 -2.012 26 HG21 ILE 87 HG21 ILE 87 -3.121 -8.259 0.833 27 HG22 ILE 87 HG22 ILE 87 -3.815 -9.517 -0.194 28 HG23 ILE 87 HG23 ILE 87 -3.099 -9.941 1.365 29 HD11 ILE 87 HD11 ILE 87 -0.542 -7.100 -0.961 30 HD12 ILE 87 HD12 ILE 87 -1.423 -6.909 -2.473 31 HD13 ILE 87 HD13 ILE 87 -2.285 -6.851 -0.942 32 H VAL 88 H VAL 88 -0.992 -6.691 1.726 33 HA VAL 88 HA VAL 88 -1.959 -7.813 4.263 34 HB VAL 88 HB VAL 88 -0.004 -6.449 4.657 35 HG11 VAL 88 HG11 VAL 88 -1.430 -4.347 3.080 36 HG12 VAL 88 HG12 VAL 88 -0.081 -3.987 4.159 37 HG13 VAL 88 HG13 VAL 88 0.157 -5.055 2.769 38 HG21 VAL 88 HG21 VAL 88 -2.564 -5.113 5.460 39 HG22 VAL 88 HG22 VAL 88 -1.637 -6.303 6.377 40 HG23 VAL 88 HG23 VAL 88 -0.988 -4.679 6.120 41 H LYS 89 H LYS 89 -4.080 -7.528 4.572 42 HA LYS 89 HA LYS 89 -5.415 -5.666 2.741 43 HB2 LYS 89 HB2 LYS 89 -6.647 -8.017 4.158 44 HB3 LYS 89 HB3 LYS 89 -7.355 -7.054 2.864 45 HG2 LYS 89 HG2 LYS 89 -6.057 -8.045 1.243 46 HG3 LYS 89 HG3 LYS 89 -4.797 -8.483 2.397 47 HD2 LYS 89 HD2 LYS 89 -7.532 -9.705 2.474 48 HD3 LYS 89 HD3 LYS 89 -6.209 -10.387 1.516 49 HE2 LYS 89 HE2 LYS 89 -5.969 -9.773 4.444 50 HE3 LYS 89 HE3 LYS 89 -6.506 -11.342 3.846 51 HZ1 LYS 89 HZ1 LYS 89 -3.915 -10.064 3.184 52 HZ2 LYS 89 HZ2 LYS 89 -4.119 -11.271 4.346 53 HZ3 LYS 89 HZ3 LYS 89 -4.412 -11.608 2.708 54 H TRP 90 H TRP 90 -7.025 -4.333 3.534 55 HA TRP 90 HA TRP 90 -6.471 -3.476 6.240 56 HB2 TRP 90 HB2 TRP 90 -6.519 -1.800 4.461 57 HB3 TRP 90 HB3 TRP 90 -8.164 -2.261 4.050 58 HD1 TRP 90 HD1 TRP 90 -6.627 -1.178 7.500 59 HE1 TRP 90 HE1 TRP 90 -8.103 0.660 8.441 60 HE3 TRP 90 HE3 TRP 90 -9.961 -0.721 3.599 61 HZ2 TRP 90 HZ2 TRP 90 -10.402 2.081 7.719 62 HZ3 TRP 90 HZ3 TRP 90 -11.765 0.923 3.812 63 HH2 TRP 90 HH2 TRP 90 -11.995 2.310 5.805 64 H ASP 91 H ASP 91 -7.733 -3.714 7.972 65 HA ASP 91 HA ASP 91 -9.747 -5.699 7.989 66 HB2 ASP 91 HB2 ASP 91 -8.899 -3.710 10.095 67 HB3 ASP 91 HB3 ASP 91 -10.094 -4.972 10.372 68 H ARG 92 H ARG 92 -11.546 -5.227 6.805 69 HA ARG 92 HA ARG 92 -13.603 -3.824 8.090 70 HB2 ARG 92 HB2 ARG 92 -13.919 -1.872 6.741 71 HB3 ARG 92 HB3 ARG 92 -12.216 -1.899 7.200 72 HG2 ARG 92 HG2 ARG 92 -11.960 -1.359 5.035 73 HG3 ARG 92 HG3 ARG 92 -11.937 -3.123 4.875 74 HD2 ARG 92 HD2 ARG 92 -13.594 -1.368 3.454 75 HD3 ARG 92 HD3 ARG 92 -13.830 -3.109 3.634 76 HE ARG 92 HE ARG 92 -15.004 -1.436 5.704 77 HH11 ARG 92 HH11 ARG 92 -15.440 -3.115 2.661 78 HH12 ARG 92 HH12 ARG 92 -17.153 -3.286 2.847 79 HH21 ARG 92 HH21 ARG 92 -17.269 -1.619 5.939 80 HH22 ARG 92 HH22 ARG 92 -18.198 -2.424 4.712 81 H ASP 93 H ASP 93 -12.412 -5.885 5.859 82 HA ASP 93 HA ASP 93 -14.911 -6.705 4.789 83 HB2 ASP 93 HB2 ASP 93 -14.460 -4.608 3.479 84 HB3 ASP 93 HB3 ASP 93 -13.019 -5.403 2.829 No H/Q in entry = 84 In of MODEL 1 1 HA MET 94 HA MET 94 -10.944 -9.136 3.643 2 HB2 MET 94 HB2 MET 94 -9.399 -9.775 5.783 3 HB3 MET 94 HB3 MET 94 -9.039 -8.471 4.658 4 HG2 MET 94 HG2 MET 94 -8.856 -7.933 7.146 5 HG3 MET 94 HG3 MET 94 -9.788 -6.793 6.170 6 HE1 MET 94 HE1 MET 94 -10.434 -10.267 7.984 7 HE2 MET 94 HE2 MET 94 -9.658 -9.194 9.150 8 HE3 MET 94 HE3 MET 94 -11.333 -9.691 9.388 No H/Q in entry = 8 In of MODEL 2 1 HA MET 1 HA MET 1 4.049 -8.240 7.175 2 HB2 MET 1 HB2 MET 1 4.472 -9.018 9.406 3 HB3 MET 1 HB3 MET 1 5.152 -7.467 9.878 4 HG2 MET 1 HG2 MET 1 2.921 -7.750 10.782 5 HG3 MET 1 HG3 MET 1 2.972 -6.418 9.631 6 HE1 MET 1 HE1 MET 1 0.229 -7.550 10.576 7 HE2 MET 1 HE2 MET 1 0.364 -6.318 9.321 8 HE3 MET 1 HE3 MET 1 -0.641 -7.743 9.054 No H/Q in entry = 8 In of MODEL 2 1 H ILE 2 H ILE 2 3.167 -6.707 6.030 2 HA ILE 2 HA ILE 2 3.976 -3.927 6.286 3 HB ILE 2 HB ILE 2 1.759 -4.991 4.518 4 HG12 ILE 2 HG12 ILE 2 4.514 -4.836 3.391 5 HG13 ILE 2 HG13 ILE 2 4.122 -6.222 4.408 6 HG21 ILE 2 HG21 ILE 2 2.062 -2.558 4.645 7 HG22 ILE 2 HG22 ILE 2 3.717 -2.746 4.059 8 HG23 ILE 2 HG23 ILE 2 2.362 -3.198 3.029 9 HD11 ILE 2 HD11 ILE 2 2.241 -6.766 2.937 10 HD12 ILE 2 HD12 ILE 2 2.641 -5.387 1.919 11 HD13 ILE 2 HD13 ILE 2 3.768 -6.734 2.060 No H/Q in entry = 11 In of MODEL 2 1 H GLN 3 H GLN 3 2.435 -2.211 6.867 2 HA GLN 3 HA GLN 3 0.049 -3.277 8.222 3 HB2 GLN 3 HB2 GLN 3 1.885 -1.070 9.186 4 HB3 GLN 3 HB3 GLN 3 0.391 -1.583 9.984 5 HG2 GLN 3 HG2 GLN 3 1.311 -3.684 10.594 6 HG3 GLN 3 HG3 GLN 3 2.723 -3.437 9.532 7 HE21 GLN 3 HE21 GLN 3 2.563 -3.974 12.420 8 HE22 GLN 3 HE22 GLN 3 3.409 -2.672 13.187 No H/Q in entry = 8 In of MODEL 2 1 H VAL 4 H VAL 4 -1.534 -2.621 6.872 2 HA VAL 4 HA VAL 4 -1.415 0.056 5.751 3 HB VAL 4 HB VAL 4 -3.602 -0.665 4.595 4 HG11 VAL 4 HG11 VAL 4 -1.011 -2.123 4.115 5 HG12 VAL 4 HG12 VAL 4 -2.356 -2.065 2.980 6 HG13 VAL 4 HG13 VAL 4 -1.517 -0.582 3.419 7 HG21 VAL 4 HG21 VAL 4 -2.680 -3.323 5.668 8 HG22 VAL 4 HG22 VAL 4 -4.215 -2.519 6.007 9 HG23 VAL 4 HG23 VAL 4 -3.863 -3.106 4.379 No H/Q in entry = 9 In of MODEL 2 1 H TYR 5 H TYR 5 -3.048 1.555 5.926 2 HA TYR 5 HA TYR 5 -4.948 1.403 8.120 3 HB2 TYR 5 HB2 TYR 5 -2.595 3.315 8.154 4 HB3 TYR 5 HB3 TYR 5 -4.044 3.557 9.117 5 HD1 TYR 5 HD1 TYR 5 -0.874 2.940 9.654 6 HD2 TYR 5 HD2 TYR 5 -4.534 0.822 10.179 7 HE1 TYR 5 HE1 TYR 5 0.153 1.625 11.469 8 HE2 TYR 5 HE2 TYR 5 -3.506 -0.509 11.988 9 HH TYR 5 HH TYR 5 -0.520 0.330 13.410 No H/Q in entry = 9 In of MODEL 2 1 H SER 6 H SER 6 -6.109 3.664 8.245 2 HA SER 6 HA SER 6 -5.817 5.144 5.732 3 HB2 SER 6 HB2 SER 6 -8.217 5.224 5.408 4 HB3 SER 6 HB3 SER 6 -7.831 3.502 5.676 5 HG SER 6 HG SER 6 -9.518 5.014 7.045 No H/Q in entry = 5 In of MODEL 2 1 H ARG 7 H ARG 7 -6.604 7.319 5.850 2 HA ARG 7 HA ARG 7 -5.899 8.527 8.381 3 HB2 ARG 7 HB2 ARG 7 -5.457 9.306 5.860 4 HB3 ARG 7 HB3 ARG 7 -6.978 10.153 6.112 5 HG2 ARG 7 HG2 ARG 7 -4.614 10.461 7.943 6 HG3 ARG 7 HG3 ARG 7 -4.892 11.481 6.530 7 HD2 ARG 7 HD2 ARG 7 -7.252 11.810 7.597 8 HD3 ARG 7 HD3 ARG 7 -6.446 11.286 9.073 9 HE ARG 7 HE ARG 7 -4.891 13.298 7.919 10 HH11 ARG 7 HH11 ARG 7 -7.987 12.877 9.493 11 HH12 ARG 7 HH12 ARG 7 -8.129 14.550 9.942 12 HH21 ARG 7 HH21 ARG 7 -5.069 15.495 8.519 13 HH22 ARG 7 HH22 ARG 7 -6.462 16.032 9.409 No H/Q in entry = 13 In of MODEL 2 1 H HIS 8 H HIS 8 -8.807 7.509 6.923 2 HA HIS 8 HA HIS 8 -10.393 9.230 8.685 3 HB2 HIS 8 HB2 HIS 8 -10.907 8.800 5.729 4 HB3 HIS 8 HB3 HIS 8 -12.028 9.587 6.835 5 HD2 HIS 8 HD2 HIS 8 -10.700 11.940 8.121 6 HE1 HIS 8 HE1 HIS 8 -8.576 12.662 4.532 7 HE2 HIS 8 HE2 HIS 8 -9.409 13.689 6.700 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 9 HA PRO 9 -12.808 5.570 9.489 2 HB2 PRO 9 HB2 PRO 9 -15.254 7.206 9.262 3 HB3 PRO 9 HB3 PRO 9 -14.624 6.312 10.656 4 HG2 PRO 9 HG2 PRO 9 -14.557 9.016 10.564 5 HG3 PRO 9 HG3 PRO 9 -13.241 8.078 11.308 6 HD2 PRO 9 HD2 PRO 9 -13.368 9.353 8.597 7 HD3 PRO 9 HD3 PRO 9 -12.020 9.337 9.761 No H/Q in entry = 7 In of MODEL 2 1 H ALA 10 H ALA 10 -13.725 4.000 8.247 2 HA ALA 10 HA ALA 10 -13.916 4.309 5.466 3 HB1 ALA 10 HB1 ALA 10 -14.750 2.004 5.477 4 HB2 ALA 10 HB2 ALA 10 -13.359 2.192 6.541 5 HB3 ALA 10 HB3 ALA 10 -14.983 2.099 7.221 No H/Q in entry = 5 In of MODEL 2 1 H GLU 11 H GLU 11 -15.463 5.765 4.689 2 HA GLU 11 HA GLU 11 -18.264 5.178 5.455 3 HB2 GLU 11 HB2 GLU 11 -16.848 7.704 4.892 4 HB3 GLU 11 HB3 GLU 11 -18.387 7.564 4.062 5 HG2 GLU 11 HG2 GLU 11 -18.710 8.743 6.091 6 HG3 GLU 11 HG3 GLU 11 -19.470 7.170 6.261 No H/Q in entry = 6 In of MODEL 2 1 H ASN 12 H ASN 12 -18.939 3.656 3.987 2 HA ASN 12 HA ASN 12 -18.290 3.231 1.407 3 HB2 ASN 12 HB2 ASN 12 -19.825 1.758 2.465 4 HB3 ASN 12 HB3 ASN 12 -20.987 3.035 2.795 5 HD21 ASN 12 HD21 ASN 12 -22.305 3.772 1.110 6 HD22 ASN 12 HD22 ASN 12 -22.523 2.861 -0.347 No H/Q in entry = 6 In of MODEL 2 1 H GLY 13 H GLY 13 -18.107 4.520 -0.298 2 HA2 GLY 13 HA2 GLY 13 -20.204 6.555 -0.797 3 HA3 GLY 13 HA3 GLY 13 -19.265 5.751 -2.037 No H/Q in entry = 3 In of MODEL 2 1 H LYS 14 H LYS 14 -17.344 6.692 0.636 2 HA LYS 14 HA LYS 14 -16.748 9.319 -0.564 3 HB2 LYS 14 HB2 LYS 14 -15.461 8.078 1.862 4 HB3 LYS 14 HB3 LYS 14 -15.438 9.764 1.390 5 HG2 LYS 14 HG2 LYS 14 -18.007 8.390 2.090 6 HG3 LYS 14 HG3 LYS 14 -16.910 8.992 3.316 7 HD2 LYS 14 HD2 LYS 14 -18.620 10.597 2.911 8 HD3 LYS 14 HD3 LYS 14 -17.063 11.245 2.401 9 HE2 LYS 14 HE2 LYS 14 -18.603 11.871 0.740 10 HE3 LYS 14 HE3 LYS 14 -17.684 10.532 0.059 11 HZ1 LYS 14 HZ1 LYS 14 -20.373 10.306 1.303 12 HZ2 LYS 14 HZ2 LYS 14 -20.079 10.351 -0.367 13 HZ3 LYS 14 HZ3 LYS 14 -19.511 9.053 0.558 No H/Q in entry = 13 In of MODEL 2 1 H SER 15 H SER 15 -14.643 9.910 -1.245 2 HA SER 15 HA SER 15 -12.744 7.680 -1.394 3 HB2 SER 15 HB2 SER 15 -13.194 9.014 -3.540 4 HB3 SER 15 HB3 SER 15 -12.284 10.304 -2.770 5 HG SER 15 HG SER 15 -10.776 9.229 -3.840 No H/Q in entry = 5 In of MODEL 2 1 H ASN 16 H ASN 16 -10.676 7.953 -0.654 2 HA ASN 16 HA ASN 16 -9.985 10.206 1.007 3 HB2 ASN 16 HB2 ASN 16 -10.006 7.446 2.272 4 HB3 ASN 16 HB3 ASN 16 -9.657 8.979 3.055 5 HD21 ASN 16 HD21 ASN 16 -11.341 10.178 3.872 6 HD22 ASN 16 HD22 ASN 16 -12.991 9.656 3.840 No H/Q in entry = 6 In of MODEL 2 1 H PHE 17 H PHE 17 -7.906 8.229 2.228 2 HA PHE 17 HA PHE 17 -6.447 7.646 -0.257 3 HB2 PHE 17 HB2 PHE 17 -5.484 9.192 2.130 4 HB3 PHE 17 HB3 PHE 17 -4.345 8.347 1.085 5 HD1 PHE 17 HD1 PHE 17 -5.679 8.813 -1.539 6 HD2 PHE 17 HD2 PHE 17 -4.948 11.435 1.730 7 HE1 PHE 17 HE1 PHE 17 -5.639 10.726 -3.088 8 HE2 PHE 17 HE2 PHE 17 -4.915 13.353 0.191 9 HZ PHE 17 HZ PHE 17 -5.261 13.000 -2.223 No H/Q in entry = 9 In of MODEL 2 1 H LEU 18 H LEU 18 -5.443 5.658 -0.310 2 HA LEU 18 HA LEU 18 -5.630 4.062 2.141 3 HB2 LEU 18 HB2 LEU 18 -6.518 2.915 0.239 4 HB3 LEU 18 HB3 LEU 18 -5.115 3.301 -0.732 5 HG LEU 18 HG LEU 18 -3.735 1.734 0.557 6 HD11 LEU 18 HD11 LEU 18 -6.250 1.231 2.151 7 HD12 LEU 18 HD12 LEU 18 -4.801 0.229 2.206 8 HD13 LEU 18 HD13 LEU 18 -4.731 1.903 2.750 9 HD21 LEU 18 HD21 LEU 18 -6.346 0.578 -0.407 10 HD22 LEU 18 HD22 LEU 18 -4.872 0.820 -1.348 11 HD23 LEU 18 HD23 LEU 18 -4.902 -0.365 -0.044 No H/Q in entry = 11 In of MODEL 2 1 H ASN 19 H ASN 19 -3.947 3.827 3.385 2 HA ASN 19 HA ASN 19 -1.333 4.718 2.394 3 HB2 ASN 19 HB2 ASN 19 -2.452 4.657 5.208 4 HB3 ASN 19 HB3 ASN 19 -0.794 5.088 4.813 5 HD21 ASN 19 HD21 ASN 19 -4.128 6.065 4.611 6 HD22 ASN 19 HD22 ASN 19 -3.824 7.728 4.233 No H/Q in entry = 6 In of MODEL 2 1 H CYS 20 H CYS 20 -0.010 3.076 1.892 2 HA CYS 20 HA CYS 20 -0.102 0.621 3.517 3 HB2 CYS 20 HB2 CYS 20 1.242 1.110 0.823 4 HB3 CYS 20 HB3 CYS 20 0.796 -0.437 1.532 No H/Q in entry = 4 In of MODEL 2 1 H TYR 21 H TYR 21 1.453 0.746 5.102 2 HA TYR 21 HA TYR 21 3.817 2.426 4.619 3 HB2 TYR 21 HB2 TYR 21 2.778 3.238 6.557 4 HB3 TYR 21 HB3 TYR 21 2.341 1.644 7.121 5 HD1 TYR 21 HD1 TYR 21 3.631 0.580 8.762 6 HD2 TYR 21 HD2 TYR 21 5.224 3.956 6.712 7 HE1 TYR 21 HE1 TYR 21 5.503 0.665 10.353 8 HE2 TYR 21 HE2 TYR 21 7.094 4.044 8.295 9 HH TYR 21 HH TYR 21 7.784 1.525 10.483 No H/Q in entry = 9 In of MODEL 2 1 H VAL 22 H VAL 22 5.473 1.379 3.836 2 HA VAL 22 HA VAL 22 6.054 -1.378 4.686 3 HB VAL 22 HB VAL 22 7.083 0.216 2.314 4 HG11 VAL 22 HG11 VAL 22 8.552 -1.621 3.158 5 HG12 VAL 22 HG12 VAL 22 7.257 -2.755 2.780 6 HG13 VAL 22 HG13 VAL 22 8.010 -1.813 1.486 7 HG21 VAL 22 HG21 VAL 22 4.694 -0.203 2.106 8 HG22 VAL 22 HG22 VAL 22 5.602 -1.171 0.942 9 HG23 VAL 22 HG23 VAL 22 4.953 -1.923 2.404 No H/Q in entry = 9 In of MODEL 2 1 H SER 23 H SER 23 7.620 -1.512 6.247 2 HA SER 23 HA SER 23 9.628 0.645 6.323 3 HB2 SER 23 HB2 SER 23 7.937 0.776 8.136 4 HB3 SER 23 HB3 SER 23 8.444 -0.818 8.690 5 HG SER 23 HG SER 23 9.843 1.635 8.762 No H/Q in entry = 5 In of MODEL 2 1 H GLY 24 H GLY 24 11.727 0.156 6.624 2 HA2 GLY 24 HA2 GLY 24 12.487 -2.550 7.496 3 HA3 GLY 24 HA3 GLY 24 13.510 -1.123 7.543 No H/Q in entry = 3 In of MODEL 2 1 H PHE 25 H PHE 25 11.858 -1.340 4.631 2 HA PHE 25 HA PHE 25 13.918 -3.002 3.374 3 HB2 PHE 25 HB2 PHE 25 11.278 -2.009 2.289 4 HB3 PHE 25 HB3 PHE 25 12.386 -3.103 1.461 5 HD1 PHE 25 HD1 PHE 25 12.556 -5.417 2.052 6 HD2 PHE 25 HD2 PHE 25 10.037 -2.812 4.296 7 HE1 PHE 25 HE1 PHE 25 11.538 -7.370 3.165 8 HE2 PHE 25 HE2 PHE 25 9.005 -4.764 5.413 9 HZ PHE 25 HZ PHE 25 9.744 -7.033 4.816 No H/Q in entry = 9 In of MODEL 2 1 H HIS 26 H HIS 26 15.148 -2.274 1.672 2 HA HIS 26 HA HIS 26 15.658 0.562 1.754 3 HB2 HIS 26 HB2 HIS 26 16.982 -1.482 -0.029 4 HB3 HIS 26 HB3 HIS 26 17.645 0.056 0.527 5 HD2 HIS 26 HD2 HIS 26 18.067 0.048 3.447 6 HE1 HIS 26 HE1 HIS 26 18.686 -4.136 3.420 7 HE2 HIS 26 HE2 HIS 26 19.108 -1.981 4.679 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 27 HA PRO 27 12.475 1.326 -1.208 2 HB2 PRO 27 HB2 PRO 27 14.009 3.844 -1.586 3 HB3 PRO 27 HB3 PRO 27 12.292 3.620 -1.229 4 HG2 PRO 27 HG2 PRO 27 13.980 4.410 0.667 5 HG3 PRO 27 HG3 PRO 27 12.672 3.261 1.033 6 HD2 PRO 27 HD2 PRO 27 15.605 2.770 0.680 7 HD3 PRO 27 HD3 PRO 27 14.448 1.990 1.782 No H/Q in entry = 7 In of MODEL 2 1 H SER 28 H SER 28 15.811 1.279 -2.026 2 HA SER 28 HA SER 28 15.561 2.080 -4.736 3 HB2 SER 28 HB2 SER 28 17.926 0.876 -4.740 4 HB3 SER 28 HB3 SER 28 17.701 2.440 -3.932 5 HG SER 28 HG SER 28 18.753 0.626 -2.709 No H/Q in entry = 5 In of MODEL 2 1 H ASP 29 H ASP 29 15.533 -1.116 -3.134 2 HA ASP 29 HA ASP 29 15.087 -2.293 -5.816 3 HB2 ASP 29 HB2 ASP 29 16.449 -3.665 -3.485 4 HB3 ASP 29 HB3 ASP 29 16.195 -4.332 -5.092 No H/Q in entry = 4 In of MODEL 2 1 H ILE 30 H ILE 30 12.820 -1.481 -4.195 2 HA ILE 30 HA ILE 30 11.777 -4.186 -3.670 3 HB ILE 30 HB ILE 30 10.749 -3.664 -1.717 4 HG12 ILE 30 HG12 ILE 30 10.527 -0.741 -2.530 5 HG13 ILE 30 HG13 ILE 30 9.259 -1.961 -2.677 6 HG21 ILE 30 HG21 ILE 30 12.962 -1.640 -1.824 7 HG22 ILE 30 HG22 ILE 30 12.073 -2.031 -0.353 8 HG23 ILE 30 HG23 ILE 30 13.016 -3.274 -1.174 9 HD11 ILE 30 HD11 ILE 30 10.489 -1.012 -0.097 10 HD12 ILE 30 HD12 ILE 30 8.918 -0.531 -0.736 11 HD13 ILE 30 HD13 ILE 30 9.198 -2.205 -0.253 No H/Q in entry = 11 In of MODEL 2 1 H GLU 31 H GLU 31 9.477 -4.416 -3.839 2 HA GLU 31 HA GLU 31 8.232 -2.578 -5.775 3 HB2 GLU 31 HB2 GLU 31 8.200 -5.591 -5.671 4 HB3 GLU 31 HB3 GLU 31 6.934 -4.687 -6.486 5 HG2 GLU 31 HG2 GLU 31 8.485 -3.774 -8.062 6 HG3 GLU 31 HG3 GLU 31 9.864 -4.439 -7.186 No H/Q in entry = 6 In of MODEL 2 1 H VAL 32 H VAL 32 6.532 -1.595 -4.866 2 HA VAL 32 HA VAL 32 4.745 -3.204 -3.192 3 HB VAL 32 HB VAL 32 5.455 -2.069 -1.364 4 HG11 VAL 32 HG11 VAL 32 7.378 -1.147 -2.606 5 HG12 VAL 32 HG12 VAL 32 6.385 0.232 -3.069 6 HG13 VAL 32 HG13 VAL 32 6.762 -0.054 -1.367 7 HG21 VAL 32 HG21 VAL 32 3.220 -1.138 -1.734 8 HG22 VAL 32 HG22 VAL 32 4.281 0.000 -0.902 9 HG23 VAL 32 HG23 VAL 32 3.933 0.210 -2.618 No H/Q in entry = 9 In of MODEL 2 1 H ASP 33 H ASP 33 2.652 -3.014 -3.734 2 HA ASP 33 HA ASP 33 1.836 -0.752 -5.436 3 HB2 ASP 33 HB2 ASP 33 1.178 -3.691 -5.982 4 HB3 ASP 33 HB3 ASP 33 0.437 -2.323 -6.813 No H/Q in entry = 4 In of MODEL 2 1 H LEU 34 H LEU 34 -0.549 -0.547 -5.501 2 HA LEU 34 HA LEU 34 -1.769 -1.492 -2.991 3 HB2 LEU 34 HB2 LEU 34 -2.109 1.036 -4.550 4 HB3 LEU 34 HB3 LEU 34 -3.488 0.425 -3.660 5 HG LEU 34 HG LEU 34 -2.054 0.432 -1.587 6 HD11 LEU 34 HD11 LEU 34 0.126 0.454 -2.755 7 HD12 LEU 34 HD12 LEU 34 -0.183 2.127 -3.226 8 HD13 LEU 34 HD13 LEU 34 -0.034 1.694 -1.517 9 HD21 LEU 34 HD21 LEU 34 -3.689 2.189 -2.093 10 HD22 LEU 34 HD22 LEU 34 -2.313 2.768 -1.154 11 HD23 LEU 34 HD23 LEU 34 -2.415 3.117 -2.883 No H/Q in entry = 11 In of MODEL 2 1 H LEU 35 H LEU 35 -3.494 -2.809 -3.080 2 HA LEU 35 HA LEU 35 -4.442 -3.567 -5.770 3 HB2 LEU 35 HB2 LEU 35 -3.997 -5.408 -3.416 4 HB3 LEU 35 HB3 LEU 35 -4.540 -5.864 -5.011 5 HG LEU 35 HG LEU 35 -1.803 -5.083 -4.097 6 HD11 LEU 35 HD11 LEU 35 -3.047 -7.378 -5.599 7 HD12 LEU 35 HD12 LEU 35 -1.312 -7.163 -5.434 8 HD13 LEU 35 HD13 LEU 35 -2.311 -7.407 -3.998 9 HD21 LEU 35 HD21 LEU 35 -2.260 -3.718 -6.114 10 HD22 LEU 35 HD22 LEU 35 -1.032 -4.953 -6.387 11 HD23 LEU 35 HD23 LEU 35 -2.669 -5.191 -6.990 No H/Q in entry = 11 In of MODEL 2 1 H LYS 36 H LYS 36 -6.407 -4.851 -5.786 2 HA LYS 36 HA LYS 36 -8.223 -4.529 -3.492 3 HB2 LYS 36 HB2 LYS 36 -9.354 -5.016 -6.209 4 HB3 LYS 36 HB3 LYS 36 -10.033 -4.073 -4.865 5 HG2 LYS 36 HG2 LYS 36 -8.482 -2.248 -5.416 6 HG3 LYS 36 HG3 LYS 36 -7.772 -3.210 -6.707 7 HD2 LYS 36 HD2 LYS 36 -9.308 -1.569 -7.643 8 HD3 LYS 36 HD3 LYS 36 -9.921 -3.200 -7.936 9 HE2 LYS 36 HE2 LYS 36 -11.712 -1.596 -7.247 10 HE3 LYS 36 HE3 LYS 36 -11.535 -2.905 -6.085 11 HZ1 LYS 36 HZ1 LYS 36 -9.820 -0.906 -5.260 12 HZ2 LYS 36 HZ2 LYS 36 -11.249 -0.112 -5.707 13 HZ3 LYS 36 HZ3 LYS 36 -11.290 -1.355 -4.547 No H/Q in entry = 13 In of MODEL 2 1 H ASN 37 H ASN 37 -8.380 -6.564 -2.595 2 HA ASN 37 HA ASN 37 -8.037 -8.840 -2.457 3 HB2 ASN 37 HB2 ASN 37 -9.830 -10.013 -3.968 4 HB3 ASN 37 HB3 ASN 37 -10.348 -8.955 -2.667 5 HD21 ASN 37 HD21 ASN 37 -10.894 -6.753 -3.241 6 HD22 ASN 37 HD22 ASN 37 -11.572 -6.405 -4.793 No H/Q in entry = 6 In of MODEL 2 1 H GLY 38 H GLY 38 -5.936 -8.079 -3.737 2 HA2 GLY 38 HA2 GLY 38 -5.289 -10.275 -5.422 3 HA3 GLY 38 HA3 GLY 38 -4.221 -8.951 -5.016 No H/Q in entry = 3 In of MODEL 2 1 H GLU 39 H GLU 39 -6.233 -6.977 -6.155 2 HA GLU 39 HA GLU 39 -5.569 -7.485 -8.970 3 HB2 GLU 39 HB2 GLU 39 -8.039 -7.823 -8.354 4 HB3 GLU 39 HB3 GLU 39 -8.099 -6.074 -8.131 5 HG2 GLU 39 HG2 GLU 39 -8.881 -6.759 -10.364 6 HG3 GLU 39 HG3 GLU 39 -7.445 -5.730 -10.442 No H/Q in entry = 6 In of MODEL 2 1 H ARG 40 H ARG 40 -4.327 -5.965 -9.759 2 HA ARG 40 HA ARG 40 -3.440 -3.783 -8.244 3 HB2 ARG 40 HB2 ARG 40 -2.487 -5.132 -10.387 4 HB3 ARG 40 HB3 ARG 40 -3.088 -3.704 -11.200 5 HG2 ARG 40 HG2 ARG 40 -1.662 -2.275 -9.854 6 HG3 ARG 40 HG3 ARG 40 -1.137 -3.672 -8.912 7 HD2 ARG 40 HD2 ARG 40 -0.664 -3.387 -11.894 8 HD3 ARG 40 HD3 ARG 40 0.518 -3.012 -10.631 9 HE ARG 40 HE ARG 40 -0.639 -5.704 -10.996 10 HH11 ARG 40 HH11 ARG 40 2.088 -3.574 -10.441 11 HH12 ARG 40 HH12 ARG 40 3.230 -4.868 -10.249 12 HH21 ARG 40 HH21 ARG 40 0.843 -7.401 -10.752 13 HH22 ARG 40 HH22 ARG 40 2.515 -7.062 -10.441 No H/Q in entry = 13 In of MODEL 2 1 H ILE 41 H ILE 41 -4.251 -1.885 -7.874 2 HA ILE 41 HA ILE 41 -6.704 -0.952 -8.934 3 HB ILE 41 HB ILE 41 -4.618 0.565 -7.371 4 HG12 ILE 41 HG12 ILE 41 -6.953 -1.111 -6.407 5 HG13 ILE 41 HG13 ILE 41 -5.252 -1.531 -6.247 6 HG21 ILE 41 HG21 ILE 41 -7.523 1.137 -7.916 7 HG22 ILE 41 HG22 ILE 41 -6.737 1.744 -6.460 8 HG23 ILE 41 HG23 ILE 41 -6.136 2.217 -8.039 9 HD11 ILE 41 HD11 ILE 41 -6.320 0.957 -4.992 10 HD12 ILE 41 HD12 ILE 41 -6.532 -0.622 -4.227 11 HD13 ILE 41 HD13 ILE 41 -4.905 -0.019 -4.562 No H/Q in entry = 11 In of MODEL 2 1 H GLU 42 H GLU 42 -3.983 1.198 -8.809 2 HA GLU 42 HA GLU 42 -2.488 1.139 -10.814 3 HB2 GLU 42 HB2 GLU 42 -4.996 1.064 -12.189 4 HB3 GLU 42 HB3 GLU 42 -4.299 2.622 -12.504 5 HG2 GLU 42 HG2 GLU 42 -2.410 1.692 -13.492 6 HG3 GLU 42 HG3 GLU 42 -2.771 0.081 -12.877 No H/Q in entry = 6 In of MODEL 2 1 H LYS 43 H LYS 43 -4.889 3.327 -9.429 2 HA LYS 43 HA LYS 43 -3.582 5.695 -10.432 3 HB2 LYS 43 HB2 LYS 43 -5.668 5.553 -8.248 4 HB3 LYS 43 HB3 LYS 43 -5.280 6.918 -9.280 5 HG2 LYS 43 HG2 LYS 43 -6.779 4.408 -10.037 6 HG3 LYS 43 HG3 LYS 43 -7.377 6.066 -10.005 7 HD2 LYS 43 HD2 LYS 43 -5.365 4.886 -11.896 8 HD3 LYS 43 HD3 LYS 43 -7.001 5.407 -12.276 9 HE2 LYS 43 HE2 LYS 43 -6.425 7.714 -11.843 10 HE3 LYS 43 HE3 LYS 43 -4.817 7.246 -11.290 11 HZ1 LYS 43 HZ1 LYS 43 -5.832 6.776 -14.040 12 HZ2 LYS 43 HZ2 LYS 43 -4.872 8.096 -13.593 13 HZ3 LYS 43 HZ3 LYS 43 -4.251 6.527 -13.479 No H/Q in entry = 13 In of MODEL 2 1 H VAL 44 H VAL 44 -1.573 4.524 -9.281 2 HA VAL 44 HA VAL 44 -1.392 5.689 -6.598 3 HB VAL 44 HB VAL 44 -1.344 2.936 -7.098 4 HG11 VAL 44 HG11 VAL 44 0.929 3.056 -7.960 5 HG12 VAL 44 HG12 VAL 44 1.441 3.880 -6.488 6 HG13 VAL 44 HG13 VAL 44 0.881 2.207 -6.412 7 HG21 VAL 44 HG21 VAL 44 -0.333 4.489 -4.734 8 HG22 VAL 44 HG22 VAL 44 -1.992 3.965 -5.022 9 HG23 VAL 44 HG23 VAL 44 -0.726 2.769 -4.730 No H/Q in entry = 9 In of MODEL 2 1 H GLU 45 H GLU 45 0.250 7.011 -6.362 2 HA GLU 45 HA GLU 45 2.532 6.830 -8.201 3 HB2 GLU 45 HB2 GLU 45 0.810 9.302 -7.869 4 HB3 GLU 45 HB3 GLU 45 2.389 9.311 -8.626 5 HG2 GLU 45 HG2 GLU 45 1.573 7.948 -10.455 6 HG3 GLU 45 HG3 GLU 45 0.010 7.757 -9.656 No H/Q in entry = 6 In of MODEL 2 1 H HIS 46 H HIS 46 4.142 6.562 -6.710 2 HA HIS 46 HA HIS 46 4.813 9.037 -5.381 3 HB2 HIS 46 HB2 HIS 46 3.608 7.435 -3.732 4 HB3 HIS 46 HB3 HIS 46 5.078 6.474 -3.815 5 HD2 HIS 46 HD2 HIS 46 7.420 7.832 -2.730 6 HE1 HIS 46 HE1 HIS 46 5.055 10.674 -0.680 7 HE2 HIS 46 HE2 HIS 46 7.404 9.822 -1.081 No H/Q in entry = 7 In of MODEL 2 1 H SER 47 H SER 47 6.862 9.467 -5.735 2 HA SER 47 HA SER 47 8.504 7.417 -7.021 3 HB2 SER 47 HB2 SER 47 9.948 9.471 -7.550 4 HB3 SER 47 HB3 SER 47 8.364 9.404 -8.323 5 HG SER 47 HG SER 47 9.065 10.870 -5.990 No H/Q in entry = 5 In of MODEL 2 1 H ASP 48 H ASP 48 10.396 6.705 -6.152 2 HA ASP 48 HA ASP 48 10.648 6.779 -3.379 3 HB2 ASP 48 HB2 ASP 48 11.565 4.921 -4.577 4 HB3 ASP 48 HB3 ASP 48 12.652 5.963 -5.479 No H/Q in entry = 4 In of MODEL 2 1 H LEU 49 H LEU 49 12.149 7.644 -2.044 2 HA LEU 49 HA LEU 49 12.889 10.377 -2.832 3 HB2 LEU 49 HB2 LEU 49 12.891 10.412 -0.107 4 HB3 LEU 49 HB3 LEU 49 11.514 10.896 -1.111 5 HG LEU 49 HG LEU 49 11.861 8.011 -0.211 6 HD11 LEU 49 HD11 LEU 49 12.019 9.398 1.837 7 HD12 LEU 49 HD12 LEU 49 10.425 10.067 1.473 8 HD13 LEU 49 HD13 LEU 49 10.608 8.342 1.791 9 HD21 LEU 49 HD21 LEU 49 10.119 8.568 -1.894 10 HD22 LEU 49 HD22 LEU 49 9.483 7.849 -0.414 11 HD23 LEU 49 HD23 LEU 49 9.329 9.585 -0.684 No H/Q in entry = 11 In of MODEL 2 1 H SER 50 H SER 50 13.972 7.374 -1.569 2 HA SER 50 HA SER 50 16.514 8.302 -0.628 3 HB2 SER 50 HB2 SER 50 15.816 5.501 -1.539 4 HB3 SER 50 HB3 SER 50 17.070 5.982 -0.394 5 HG SER 50 HG SER 50 14.296 5.844 -0.058 No H/Q in entry = 5 In of MODEL 2 1 H PHE 51 H PHE 51 15.775 6.169 -3.426 2 HA PHE 51 HA PHE 51 15.982 6.586 -5.641 3 HB2 PHE 51 HB2 PHE 51 15.729 9.056 -4.919 4 HB3 PHE 51 HB3 PHE 51 17.475 9.143 -5.142 5 HD1 PHE 51 HD1 PHE 51 14.254 8.587 -6.820 6 HD2 PHE 51 HD2 PHE 51 18.442 9.159 -7.328 7 HE1 PHE 51 HE1 PHE 51 13.906 8.951 -9.228 8 HE2 PHE 51 HE2 PHE 51 18.102 9.526 -9.738 9 HZ PHE 51 HZ PHE 51 15.832 9.423 -10.691 No H/Q in entry = 9 In of MODEL 2 1 H SER 52 H SER 52 18.667 6.766 -3.484 2 HA SER 52 HA SER 52 20.412 5.674 -5.571 3 HB2 SER 52 HB2 SER 52 21.367 7.782 -3.634 4 HB3 SER 52 HB3 SER 52 22.203 7.157 -5.053 5 HG SER 52 HG SER 52 20.309 9.130 -4.845 No H/Q in entry = 5 In of MODEL 2 1 H LYS 53 H LYS 53 20.263 6.473 -2.095 2 HA LYS 53 HA LYS 53 22.073 4.276 -1.497 3 HB2 LYS 53 HB2 LYS 53 20.836 6.393 0.269 4 HB3 LYS 53 HB3 LYS 53 21.950 5.156 0.834 5 HG2 LYS 53 HG2 LYS 53 22.591 7.205 -1.271 6 HG3 LYS 53 HG3 LYS 53 23.019 7.337 0.436 7 HD2 LYS 53 HD2 LYS 53 24.390 5.357 0.291 8 HD3 LYS 53 HD3 LYS 53 23.882 5.091 -1.378 9 HE2 LYS 53 HE2 LYS 53 25.424 7.479 -0.373 10 HE3 LYS 53 HE3 LYS 53 26.117 6.104 -1.231 11 HZ1 LYS 53 HZ1 LYS 53 24.689 6.649 -3.130 12 HZ2 LYS 53 HZ2 LYS 53 24.108 8.016 -2.307 13 HZ3 LYS 53 HZ3 LYS 53 25.745 7.917 -2.744 No H/Q in entry = 13 In of MODEL 2 1 H ASP 54 H ASP 54 21.493 3.057 0.615 2 HA ASP 54 HA ASP 54 18.785 1.971 0.220 3 HB2 ASP 54 HB2 ASP 54 21.411 0.641 0.847 4 HB3 ASP 54 HB3 ASP 54 19.885 -0.144 1.231 No H/Q in entry = 4 In of MODEL 2 1 H TRP 55 H TRP 55 17.788 3.246 1.804 2 HA TRP 55 HA TRP 55 17.914 2.104 4.405 3 HB2 TRP 55 HB2 TRP 55 18.679 3.845 5.729 4 HB3 TRP 55 HB3 TRP 55 19.780 3.894 4.367 5 HD1 TRP 55 HD1 TRP 55 17.936 6.129 6.534 6 HE1 TRP 55 HE1 TRP 55 17.645 8.459 5.467 7 HE3 TRP 55 HE3 TRP 55 19.111 4.993 1.623 8 HZ2 TRP 55 HZ2 TRP 55 17.855 9.648 2.939 9 HZ3 TRP 55 HZ3 TRP 55 19.022 6.806 -0.023 10 HH2 TRP 55 HH2 TRP 55 18.411 9.080 0.608 No H/Q in entry = 10 In of MODEL 2 1 H SER 56 H SER 56 15.961 2.082 5.259 2 HA SER 56 HA SER 56 13.903 3.657 3.898 3 HB2 SER 56 HB2 SER 56 13.649 1.173 4.007 4 HB3 SER 56 HB3 SER 56 13.576 1.292 5.763 5 HG SER 56 HG SER 56 11.646 1.770 3.900 No H/Q in entry = 5 In of MODEL 2 1 H PHE 57 H PHE 57 12.654 5.228 5.125 2 HA PHE 57 HA PHE 57 12.982 5.169 8.003 3 HB2 PHE 57 HB2 PHE 57 13.503 7.613 7.963 4 HB3 PHE 57 HB3 PHE 57 14.764 6.622 7.225 5 HD1 PHE 57 HD1 PHE 57 12.306 9.235 6.689 6 HD2 PHE 57 HD2 PHE 57 15.019 6.576 4.765 7 HE1 PHE 57 HE1 PHE 57 12.178 10.587 4.637 8 HE2 PHE 57 HE2 PHE 57 14.889 7.929 2.713 9 HZ PHE 57 HZ PHE 57 13.472 9.925 2.647 No H/Q in entry = 9 In of MODEL 2 1 H TYR 58 H TYR 58 10.955 4.733 5.797 2 HA TYR 58 HA TYR 58 8.557 5.020 6.470 3 HB2 TYR 58 HB2 TYR 58 9.041 7.303 7.478 4 HB3 TYR 58 HB3 TYR 58 9.065 7.939 5.838 5 HD1 TYR 58 HD1 TYR 58 6.904 6.181 8.312 6 HD2 TYR 58 HD2 TYR 58 7.006 8.491 4.733 7 HE1 TYR 58 HE1 TYR 58 4.447 6.421 8.405 8 HE2 TYR 58 HE2 TYR 58 4.545 8.734 4.816 9 HH TYR 58 HH TYR 58 2.630 7.666 5.775 No H/Q in entry = 9 In of MODEL 2 1 H LEU 59 H LEU 59 8.306 3.759 4.637 2 HA LEU 59 HA LEU 59 8.233 5.117 2.026 3 HB2 LEU 59 HB2 LEU 59 8.473 2.312 2.976 4 HB3 LEU 59 HB3 LEU 59 7.569 2.555 1.498 5 HG LEU 59 HG LEU 59 10.368 3.616 1.803 6 HD11 LEU 59 HD11 LEU 59 9.506 0.874 0.906 7 HD12 LEU 59 HD12 LEU 59 11.111 1.555 0.668 8 HD13 LEU 59 HD13 LEU 59 10.514 1.265 2.300 9 HD21 LEU 59 HD21 LEU 59 8.582 2.905 -0.523 10 HD22 LEU 59 HD22 LEU 59 9.151 4.512 -0.067 11 HD23 LEU 59 HD23 LEU 59 10.289 3.313 -0.684 No H/Q in entry = 11 In of MODEL 2 1 H LEU 60 H LEU 60 6.278 5.887 1.340 2 HA LEU 60 HA LEU 60 3.904 4.274 1.866 3 HB2 LEU 60 HB2 LEU 60 3.966 5.945 3.628 4 HB3 LEU 60 HB3 LEU 60 4.247 7.213 2.455 5 HG LEU 60 HG LEU 60 1.973 6.792 1.528 6 HD11 LEU 60 HD11 LEU 60 1.724 5.005 3.941 7 HD12 LEU 60 HD12 LEU 60 0.400 5.497 2.885 8 HD13 LEU 60 HD13 LEU 60 1.703 4.488 2.254 9 HD21 LEU 60 HD21 LEU 60 2.395 8.589 3.121 10 HD22 LEU 60 HD22 LEU 60 0.791 7.893 3.350 11 HD23 LEU 60 HD23 LEU 60 2.099 7.480 4.460 No H/Q in entry = 11 In of MODEL 2 1 H TYR 61 H TYR 61 2.351 4.407 0.290 2 HA TYR 61 HA TYR 61 2.808 6.210 -2.001 3 HB2 TYR 61 HB2 TYR 61 2.009 3.260 -2.010 4 HB3 TYR 61 HB3 TYR 61 1.871 4.302 -3.434 5 HD1 TYR 61 HD1 TYR 61 3.675 4.480 -4.898 6 HD2 TYR 61 HD2 TYR 61 4.406 3.103 -0.939 7 HE1 TYR 61 HE1 TYR 61 6.006 3.993 -5.511 8 HE2 TYR 61 HE2 TYR 61 6.752 2.623 -1.540 9 HH TYR 61 HH TYR 61 8.053 2.127 -3.594 No H/Q in entry = 9 In of MODEL 2 1 H TYR 62 H TYR 62 0.664 6.627 -3.197 2 HA TYR 62 HA TYR 62 -1.597 6.232 -1.391 3 HB2 TYR 62 HB2 TYR 62 -2.314 8.639 -1.829 4 HB3 TYR 62 HB3 TYR 62 -1.011 8.368 -0.686 5 HD1 TYR 62 HD1 TYR 62 1.130 9.347 -1.026 6 HD2 TYR 62 HD2 TYR 62 -1.767 9.505 -4.140 7 HE1 TYR 62 HE1 TYR 62 2.520 10.979 -2.233 8 HE2 TYR 62 HE2 TYR 62 -0.377 11.124 -5.362 9 HH TYR 62 HH TYR 62 2.823 11.694 -4.662 No H/Q in entry = 9 In of MODEL 2 1 H THR 63 H THR 63 -3.575 5.976 -2.293 2 HA THR 63 HA THR 63 -3.964 6.503 -5.146 3 HB THR 63 HB THR 63 -3.232 4.029 -4.689 4 HG1 THR 63 HG1 THR 63 -4.356 5.046 -6.603 5 HG21 THR 63 HG21 THR 63 -4.869 3.658 -2.842 6 HG22 THR 63 HG22 THR 63 -6.160 3.816 -4.029 7 HG23 THR 63 HG23 THR 63 -5.003 2.494 -4.161 No H/Q in entry = 7 In of MODEL 2 1 H GLU 64 H GLU 64 -6.046 7.084 -5.635 2 HA GLU 64 HA GLU 64 -7.831 7.922 -3.621 3 HB2 GLU 64 HB2 GLU 64 -7.452 8.527 -6.213 4 HB3 GLU 64 HB3 GLU 64 -8.762 7.374 -6.412 5 HG2 GLU 64 HG2 GLU 64 -9.891 9.367 -6.324 6 HG3 GLU 64 HG3 GLU 64 -9.988 8.814 -4.654 No H/Q in entry = 6 In of MODEL 2 1 H PHE 65 H PHE 65 -9.657 6.853 -2.687 2 HA PHE 65 HA PHE 65 -10.390 4.302 -3.910 3 HB2 PHE 65 HB2 PHE 65 -10.141 3.057 -1.930 4 HB3 PHE 65 HB3 PHE 65 -8.724 4.068 -2.054 5 HD1 PHE 65 HD1 PHE 65 -7.893 4.622 -0.036 6 HD2 PHE 65 HD2 PHE 65 -12.109 4.638 -0.566 7 HE1 PHE 65 HE1 PHE 65 -8.192 5.395 2.292 8 HE2 PHE 65 HE2 PHE 65 -12.398 5.425 1.748 9 HZ PHE 65 HZ PHE 65 -10.460 5.801 3.179 No H/Q in entry = 9 In of MODEL 2 1 H THR 66 H THR 66 -12.467 3.493 -3.447 2 HA THR 66 HA THR 66 -14.107 5.099 -1.616 3 HB THR 66 HB THR 66 -15.013 4.213 -4.376 4 HG1 THR 66 HG1 THR 66 -13.677 6.428 -3.464 5 HG21 THR 66 HG21 THR 66 -16.347 5.874 -2.231 6 HG22 THR 66 HG22 THR 66 -16.929 5.734 -3.893 7 HG23 THR 66 HG23 THR 66 -16.878 4.310 -2.854 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 67 HA PRO 67 -14.620 0.778 -0.384 2 HB2 PRO 67 HB2 PRO 67 -16.052 1.457 1.952 3 HB3 PRO 67 HB3 PRO 67 -14.341 1.044 1.831 4 HG2 PRO 67 HG2 PRO 67 -15.485 3.597 2.410 5 HG3 PRO 67 HG3 PRO 67 -13.775 3.172 2.260 6 HD2 PRO 67 HD2 PRO 67 -15.467 4.633 0.435 7 HD3 PRO 67 HD3 PRO 67 -13.713 4.394 0.377 No H/Q in entry = 7 In of MODEL 2 1 H THR 68 H THR 68 -16.050 -0.624 -0.649 2 HA THR 68 HA THR 68 -18.901 0.060 -0.748 3 HB THR 68 HB THR 68 -19.139 -1.452 -2.702 4 HG1 THR 68 HG1 THR 68 -16.918 -1.854 -3.739 5 HG21 THR 68 HG21 THR 68 -17.070 0.705 -3.142 6 HG22 THR 68 HG22 THR 68 -18.066 -0.039 -4.393 7 HG23 THR 68 HG23 THR 68 -18.819 0.936 -3.131 No H/Q in entry = 7 In of MODEL 2 1 H GLU 69 H GLU 69 -20.260 -1.910 -0.356 2 HA GLU 69 HA GLU 69 -19.279 -3.604 1.658 3 HB2 GLU 69 HB2 GLU 69 -21.606 -3.266 1.561 4 HB3 GLU 69 HB3 GLU 69 -21.722 -3.711 -0.130 5 HG2 GLU 69 HG2 GLU 69 -22.654 -5.482 1.091 6 HG3 GLU 69 HG3 GLU 69 -21.059 -6.027 0.560 No H/Q in entry = 6 In of MODEL 2 1 H LYS 70 H LYS 70 -18.371 -3.666 -1.535 2 HA LYS 70 HA LYS 70 -18.066 -6.572 -1.552 3 HB2 LYS 70 HB2 LYS 70 -18.215 -4.676 -3.889 4 HB3 LYS 70 HB3 LYS 70 -17.921 -6.399 -4.025 5 HG2 LYS 70 HG2 LYS 70 -20.414 -5.451 -2.657 6 HG3 LYS 70 HG3 LYS 70 -20.312 -5.418 -4.414 7 HD2 LYS 70 HD2 LYS 70 -21.269 -7.486 -3.988 8 HD3 LYS 70 HD3 LYS 70 -19.566 -7.876 -4.212 9 HE2 LYS 70 HE2 LYS 70 -19.254 -8.036 -1.819 10 HE3 LYS 70 HE3 LYS 70 -20.908 -7.502 -1.533 11 HZ1 LYS 70 HZ1 LYS 70 -20.177 -9.974 -3.002 12 HZ2 LYS 70 HZ2 LYS 70 -20.575 -9.933 -1.354 13 HZ3 LYS 70 HZ3 LYS 70 -21.727 -9.497 -2.516 No H/Q in entry = 13 In of MODEL 2 1 H ASP 71 H ASP 71 -16.133 -3.609 -1.865 2 HA ASP 71 HA ASP 71 -14.004 -5.234 -3.025 3 HB2 ASP 71 HB2 ASP 71 -14.581 -3.162 -4.202 4 HB3 ASP 71 HB3 ASP 71 -14.123 -2.226 -2.774 No H/Q in entry = 4 In of MODEL 2 1 H GLU 72 H GLU 72 -12.214 -5.714 -2.092 2 HA GLU 72 HA GLU 72 -11.566 -4.843 0.649 3 HB2 GLU 72 HB2 GLU 72 -11.937 -7.236 0.274 4 HB3 GLU 72 HB3 GLU 72 -10.755 -7.259 -1.008 5 HG2 GLU 72 HG2 GLU 72 -9.885 -6.439 1.703 6 HG3 GLU 72 HG3 GLU 72 -10.220 -8.140 1.413 No H/Q in entry = 6 In of MODEL 2 1 H TYR 73 H TYR 73 -9.530 -3.909 1.041 2 HA TYR 73 HA TYR 73 -7.965 -3.242 -1.369 3 HB2 TYR 73 HB2 TYR 73 -8.465 -1.553 1.092 4 HB3 TYR 73 HB3 TYR 73 -7.254 -1.168 -0.118 5 HD1 TYR 73 HD1 TYR 73 -10.897 -1.736 0.319 6 HD2 TYR 73 HD2 TYR 73 -7.838 0.088 -2.004 7 HE1 TYR 73 HE1 TYR 73 -12.605 -0.510 -0.963 8 HE2 TYR 73 HE2 TYR 73 -9.541 1.309 -3.294 9 HH TYR 73 HH TYR 73 -12.864 1.385 -2.353 No H/Q in entry = 9 In of MODEL 2 1 H ALA 74 H ALA 74 -5.895 -3.815 -1.401 2 HA ALA 74 HA ALA 74 -4.625 -4.702 1.095 3 HB1 ALA 74 HB1 ALA 74 -5.521 -6.673 0.004 4 HB2 ALA 74 HB2 ALA 74 -3.760 -6.672 -0.105 5 HB3 ALA 74 HB3 ALA 74 -4.732 -6.221 -1.511 No H/Q in entry = 5 In of MODEL 2 1 H CYS 75 H CYS 75 -2.284 -4.734 1.009 2 HA CYS 75 HA CYS 75 -1.187 -3.163 -1.238 3 HB2 CYS 75 HB2 CYS 75 -0.601 -2.885 1.699 4 HB3 CYS 75 HB3 CYS 75 0.223 -1.991 0.455 No H/Q in entry = 4 In of MODEL 2 1 H ARG 76 H ARG 76 0.432 -4.166 -2.283 2 HA ARG 76 HA ARG 76 1.467 -6.699 -1.199 3 HB2 ARG 76 HB2 ARG 76 0.235 -6.411 -3.446 4 HB3 ARG 76 HB3 ARG 76 1.725 -5.646 -4.010 5 HG2 ARG 76 HG2 ARG 76 2.922 -7.749 -3.677 6 HG3 ARG 76 HG3 ARG 76 1.491 -8.494 -2.968 7 HD2 ARG 76 HD2 ARG 76 1.754 -9.181 -5.341 8 HD3 ARG 76 HD3 ARG 76 0.288 -8.212 -5.104 9 HE ARG 76 HE ARG 76 1.529 -6.299 -6.008 10 HH11 ARG 76 HH11 ARG 76 2.798 -9.495 -6.653 11 HH12 ARG 76 HH12 ARG 76 3.830 -8.961 -7.946 12 HH21 ARG 76 HH21 ARG 76 2.942 -5.566 -7.671 13 HH22 ARG 76 HH22 ARG 76 3.916 -6.733 -8.520 No H/Q in entry = 13 In of MODEL 2 1 H VAL 77 H VAL 77 3.648 -6.978 -0.766 2 HA VAL 77 HA VAL 77 5.535 -5.106 -2.047 3 HB VAL 77 HB VAL 77 4.903 -4.475 0.399 4 HG11 VAL 77 HG11 VAL 77 5.280 -6.681 1.371 5 HG12 VAL 77 HG12 VAL 77 6.977 -6.606 0.894 6 HG13 VAL 77 HG13 VAL 77 6.339 -5.468 2.085 7 HG21 VAL 77 HG21 VAL 77 6.624 -3.420 -1.007 8 HG22 VAL 77 HG22 VAL 77 7.083 -3.494 0.696 9 HG23 VAL 77 HG23 VAL 77 7.784 -4.632 -0.453 No H/Q in entry = 9 In of MODEL 2 1 H ASN 78 H ASN 78 7.434 -5.837 -2.594 2 HA ASN 78 HA ASN 78 8.357 -8.486 -1.676 3 HB2 ASN 78 HB2 ASN 78 7.135 -8.689 -3.891 4 HB3 ASN 78 HB3 ASN 78 8.421 -7.710 -4.599 5 HD21 ASN 78 HD21 ASN 78 9.047 -9.390 -5.968 6 HD22 ASN 78 HD22 ASN 78 9.910 -10.771 -5.384 No H/Q in entry = 6 In of MODEL 2 1 H HIS 79 H HIS 79 10.491 -8.777 -1.552 2 HA HIS 79 HA HIS 79 12.299 -6.715 -2.595 3 HB2 HIS 79 HB2 HIS 79 11.881 -6.461 -0.088 4 HB3 HIS 79 HB3 HIS 79 12.635 -8.036 0.110 5 HD2 HIS 79 HD2 HIS 79 13.595 -4.348 -0.531 6 HE1 HIS 79 HE1 HIS 79 17.143 -6.637 -0.275 7 HE2 HIS 79 HE2 HIS 79 16.191 -4.314 -0.640 No H/Q in entry = 7 In of MODEL 2 1 H VAL 80 H VAL 80 14.519 -7.581 -2.848 2 HA VAL 80 HA VAL 80 14.527 -10.065 -4.172 3 HB VAL 80 HB VAL 80 17.009 -8.702 -3.124 4 HG11 VAL 80 HG11 VAL 80 17.361 -10.930 -4.075 5 HG12 VAL 80 HG12 VAL 80 16.539 -10.433 -5.556 6 HG13 VAL 80 HG13 VAL 80 18.071 -9.683 -5.103 7 HG21 VAL 80 HG21 VAL 80 15.430 -8.091 -5.616 8 HG22 VAL 80 HG22 VAL 80 15.713 -7.017 -4.247 9 HG23 VAL 80 HG23 VAL 80 17.055 -7.493 -5.284 No H/Q in entry = 9 In of MODEL 2 1 H THR 81 H THR 81 14.519 -9.512 -0.863 2 HA THR 81 HA THR 81 16.052 -11.895 -0.207 3 HB THR 81 HB THR 81 16.193 -10.130 1.423 4 HG1 THR 81 HG1 THR 81 16.235 -12.129 2.372 5 HG21 THR 81 HG21 THR 81 13.181 -10.320 1.656 6 HG22 THR 81 HG22 THR 81 14.224 -9.373 2.717 7 HG23 THR 81 HG23 THR 81 14.095 -8.959 1.005 No H/Q in entry = 7 In of MODEL 2 1 H LEU 82 H LEU 82 12.596 -10.916 0.076 2 HA LEU 82 HA LEU 82 11.615 -13.521 0.516 3 HB2 LEU 82 HB2 LEU 82 10.113 -11.413 -1.025 4 HB3 LEU 82 HB3 LEU 82 9.463 -12.693 -0.017 5 HG LEU 82 HG LEU 82 10.995 -10.332 1.055 6 HD11 LEU 82 HD11 LEU 82 8.046 -10.828 0.788 7 HD12 LEU 82 HD12 LEU 82 8.754 -9.586 1.819 8 HD13 LEU 82 HD13 LEU 82 8.999 -9.524 0.075 9 HD21 LEU 82 HD21 LEU 82 11.080 -12.334 2.470 10 HD22 LEU 82 HD22 LEU 82 10.106 -11.063 3.207 11 HD23 LEU 82 HD23 LEU 82 9.320 -12.435 2.426 No H/Q in entry = 11 In of MODEL 2 1 H SER 83 H SER 83 10.701 -15.034 -0.914 2 HA SER 83 HA SER 83 11.383 -14.697 -3.762 3 HB2 SER 83 HB2 SER 83 10.906 -17.178 -3.863 4 HB3 SER 83 HB3 SER 83 12.279 -16.730 -2.851 5 HG SER 83 HG SER 83 11.295 -17.612 -1.234 No H/Q in entry = 5 In of MODEL 2 1 H GLN 84 H GLN 84 8.952 -14.282 -1.630 2 HA GLN 84 HA GLN 84 6.952 -14.205 -3.738 3 HB2 GLN 84 HB2 GLN 84 5.242 -15.261 -2.255 4 HB3 GLN 84 HB3 GLN 84 6.508 -16.366 -2.768 5 HG2 GLN 84 HG2 GLN 84 7.560 -16.239 -0.584 6 HG3 GLN 84 HG3 GLN 84 6.429 -14.980 -0.083 7 HE21 GLN 84 HE21 GLN 84 4.140 -16.243 -1.347 8 HE22 GLN 84 HE22 GLN 84 3.737 -17.608 -0.361 No H/Q in entry = 8 In of MODEL 2 1 HA PRO 85 HA PRO 85 6.307 -10.352 -1.426 2 HB2 PRO 85 HB2 PRO 85 4.211 -9.442 -2.919 3 HB3 PRO 85 HB3 PRO 85 5.922 -9.158 -3.295 4 HG2 PRO 85 HG2 PRO 85 4.005 -11.106 -4.491 5 HG3 PRO 85 HG3 PRO 85 5.351 -10.233 -5.257 6 HD2 PRO 85 HD2 PRO 85 5.488 -12.910 -4.529 7 HD3 PRO 85 HD3 PRO 85 6.920 -11.833 -4.634 No H/Q in entry = 7 In of MODEL 2 1 H LYS 86 H LYS 86 4.647 -9.483 -0.135 2 HA LYS 86 HA LYS 86 2.597 -11.495 0.489 3 HB2 LYS 86 HB2 LYS 86 3.769 -9.468 2.402 4 HB3 LYS 86 HB3 LYS 86 2.662 -10.774 2.796 5 HG2 LYS 86 HG2 LYS 86 5.575 -10.934 2.072 6 HG3 LYS 86 HG3 LYS 86 4.775 -11.502 3.540 7 HD2 LYS 86 HD2 LYS 86 3.477 -13.032 1.789 8 HD3 LYS 86 HD3 LYS 86 4.938 -12.748 0.840 9 HE2 LYS 86 HE2 LYS 86 5.013 -14.838 2.190 10 HE3 LYS 86 HE3 LYS 86 6.318 -13.723 2.566 11 HZ1 LYS 86 HZ1 LYS 86 3.818 -13.943 4.151 12 HZ2 LYS 86 HZ2 LYS 86 5.263 -14.745 4.530 13 HZ3 LYS 86 HZ3 LYS 86 5.204 -13.053 4.548 No H/Q in entry = 13 In of MODEL 2 1 H ILE 87 H ILE 87 0.583 -10.824 1.063 2 HA ILE 87 HA ILE 87 -0.103 -8.071 0.252 3 HB ILE 87 HB ILE 87 -1.482 -10.592 -0.322 4 HG12 ILE 87 HG12 ILE 87 -0.857 -9.320 -2.192 5 HG13 ILE 87 HG13 ILE 87 -2.588 -8.986 -2.038 6 HG21 ILE 87 HG21 ILE 87 -3.079 -8.273 0.715 7 HG22 ILE 87 HG22 ILE 87 -3.753 -9.580 -0.263 8 HG23 ILE 87 HG23 ILE 87 -3.065 -9.929 1.326 9 HD11 ILE 87 HD11 ILE 87 -2.100 -6.902 -0.919 10 HD12 ILE 87 HD12 ILE 87 -0.370 -7.218 -1.063 11 HD13 ILE 87 HD13 ILE 87 -1.347 -6.978 -2.509 No H/Q in entry = 11 In of MODEL 2 1 H VAL 88 H VAL 88 -0.949 -6.711 1.661 2 HA VAL 88 HA VAL 88 -1.927 -7.786 4.217 3 HB VAL 88 HB VAL 88 0.047 -6.462 4.605 4 HG11 VAL 88 HG11 VAL 88 -1.328 -4.295 3.064 5 HG12 VAL 88 HG12 VAL 88 0.083 -4.031 4.088 6 HG13 VAL 88 HG13 VAL 88 0.201 -5.088 2.673 7 HG21 VAL 88 HG21 VAL 88 -2.479 -5.053 5.384 8 HG22 VAL 88 HG22 VAL 88 -1.606 -6.279 6.306 9 HG23 VAL 88 HG23 VAL 88 -0.895 -4.680 6.064 No H/Q in entry = 9 In of MODEL 2 1 H LYS 89 H LYS 89 -4.033 -7.471 4.528 2 HA LYS 89 HA LYS 89 -5.361 -5.653 2.662 3 HB2 LYS 89 HB2 LYS 89 -6.560 -7.961 4.199 4 HB3 LYS 89 HB3 LYS 89 -7.328 -7.014 2.927 5 HG2 LYS 89 HG2 LYS 89 -6.025 -7.971 1.249 6 HG3 LYS 89 HG3 LYS 89 -4.792 -8.486 2.397 7 HD2 LYS 89 HD2 LYS 89 -7.576 -9.586 2.463 8 HD3 LYS 89 HD3 LYS 89 -6.310 -10.297 1.457 9 HE2 LYS 89 HE2 LYS 89 -5.883 -9.791 4.372 10 HE3 LYS 89 HE3 LYS 89 -6.700 -11.256 3.821 11 HZ1 LYS 89 HZ1 LYS 89 -4.710 -11.720 2.447 12 HZ2 LYS 89 HZ2 LYS 89 -3.945 -10.380 3.147 13 HZ3 LYS 89 HZ3 LYS 89 -4.383 -11.701 4.110 No H/Q in entry = 13 In of MODEL 2 1 H TRP 90 H TRP 90 -6.910 -4.240 3.397 2 HA TRP 90 HA TRP 90 -6.451 -3.352 6.105 3 HB2 TRP 90 HB2 TRP 90 -6.543 -1.649 4.344 4 HB3 TRP 90 HB3 TRP 90 -8.170 -2.174 3.917 5 HD1 TRP 90 HD1 TRP 90 -6.719 -1.150 7.402 6 HE1 TRP 90 HE1 TRP 90 -8.227 0.610 8.399 7 HE3 TRP 90 HE3 TRP 90 -10.027 -0.620 3.487 8 HZ2 TRP 90 HZ2 TRP 90 -10.582 2.014 7.704 9 HZ3 TRP 90 HZ3 TRP 90 -11.878 0.972 3.746 10 HH2 TRP 90 HH2 TRP 90 -12.155 2.278 5.785 No H/Q in entry = 10 In of MODEL 2 1 H ASP 91 H ASP 91 -7.637 -3.780 7.793 2 HA ASP 91 HA ASP 91 -9.661 -5.766 7.664 3 HB2 ASP 91 HB2 ASP 91 -9.861 -5.307 10.151 4 HB3 ASP 91 HB3 ASP 91 -8.249 -5.758 9.601 No H/Q in entry = 4 In of MODEL 2 1 H ARG 92 H ARG 92 -11.559 -5.314 6.780 2 HA ARG 92 HA ARG 92 -13.509 -3.822 8.087 3 HB2 ARG 92 HB2 ARG 92 -13.805 -1.857 6.783 4 HB3 ARG 92 HB3 ARG 92 -12.072 -1.949 7.092 5 HG2 ARG 92 HG2 ARG 92 -12.068 -1.376 4.889 6 HG3 ARG 92 HG3 ARG 92 -11.976 -3.145 4.769 7 HD2 ARG 92 HD2 ARG 92 -13.730 -1.689 3.301 8 HD3 ARG 92 HD3 ARG 92 -14.118 -3.304 3.906 9 HE ARG 92 HE ARG 92 -14.894 -1.266 5.752 10 HH11 ARG 92 HH11 ARG 92 -15.812 -2.904 2.786 11 HH12 ARG 92 HH12 ARG 92 -17.496 -2.546 2.960 12 HH21 ARG 92 HH21 ARG 92 -17.121 -0.802 5.988 13 HH22 ARG 92 HH22 ARG 92 -18.251 -1.360 4.784 No H/Q in entry = 13 In of MODEL 2 1 H ASP 93 H ASP 93 -12.442 -5.904 5.765 2 HA ASP 93 HA ASP 93 -15.038 -6.542 4.749 3 HB2 ASP 93 HB2 ASP 93 -14.384 -4.490 3.461 4 HB3 ASP 93 HB3 ASP 93 -13.039 -5.415 2.783 No H/Q in entry = 4 In of MODEL 2 1 HA MET 94 HA MET 94 -11.611 -9.487 3.597 2 HB2 MET 94 HB2 MET 94 -9.453 -9.941 4.780 3 HB3 MET 94 HB3 MET 94 -9.543 -8.343 4.046 4 HG2 MET 94 HG2 MET 94 -9.919 -7.302 6.197 5 HG3 MET 94 HG3 MET 94 -10.066 -8.887 6.968 6 HE1 MET 94 HE1 MET 94 -8.124 -10.434 7.598 7 HE2 MET 94 HE2 MET 94 -7.789 -10.644 5.879 8 HE3 MET 94 HE3 MET 94 -6.476 -10.261 6.994 No H/Q in entry = 8 In of MODEL 3 1 HA MET 1 HA MET 1 5.109 -8.151 5.969 2 HB2 MET 1 HB2 MET 1 5.032 -9.336 8.173 3 HB3 MET 1 HB3 MET 1 4.670 -7.800 8.947 4 HG2 MET 1 HG2 MET 1 2.590 -7.635 7.727 5 HG3 MET 1 HG3 MET 1 2.960 -9.117 6.848 6 HE1 MET 1 HE1 MET 1 3.590 -8.329 10.654 7 HE2 MET 1 HE2 MET 1 2.043 -7.548 10.332 8 HE3 MET 1 HE3 MET 1 2.115 -8.960 11.384 No H/Q in entry = 8 In of MODEL 3 1 H ILE 2 H ILE 2 3.187 -6.836 5.721 2 HA ILE 2 HA ILE 2 3.834 -3.991 6.025 3 HB ILE 2 HB ILE 2 1.619 -5.102 4.301 4 HG12 ILE 2 HG12 ILE 2 4.286 -4.578 3.060 5 HG13 ILE 2 HG13 ILE 2 4.035 -6.114 3.898 6 HG21 ILE 2 HG21 ILE 2 1.763 -2.663 4.700 7 HG22 ILE 2 HG22 ILE 2 3.348 -2.661 3.916 8 HG23 ILE 2 HG23 ILE 2 1.911 -3.113 3.003 9 HD11 ILE 2 HD11 ILE 2 2.068 -6.536 2.476 10 HD12 ILE 2 HD12 ILE 2 2.403 -5.037 1.608 11 HD13 ILE 2 HD13 ILE 2 3.563 -6.368 1.550 No H/Q in entry = 11 In of MODEL 3 1 H GLN 3 H GLN 3 2.429 -2.603 7.086 2 HA GLN 3 HA GLN 3 -0.081 -3.806 8.079 3 HB2 GLN 3 HB2 GLN 3 1.643 -1.751 9.501 4 HB3 GLN 3 HB3 GLN 3 0.090 -2.352 10.070 5 HG2 GLN 3 HG2 GLN 3 1.803 -3.455 11.293 6 HG3 GLN 3 HG3 GLN 3 1.062 -4.652 10.219 7 HE21 GLN 3 HE21 GLN 3 3.423 -2.182 9.316 8 HE22 GLN 3 HE22 GLN 3 4.699 -3.284 8.935 No H/Q in entry = 8 In of MODEL 3 1 H VAL 4 H VAL 4 -1.721 -2.948 6.977 2 HA VAL 4 HA VAL 4 -1.523 -0.234 5.943 3 HB VAL 4 HB VAL 4 -3.808 -0.823 4.888 4 HG11 VAL 4 HG11 VAL 4 -1.722 -0.736 3.629 5 HG12 VAL 4 HG12 VAL 4 -1.345 -2.390 4.114 6 HG13 VAL 4 HG13 VAL 4 -2.734 -2.069 3.075 7 HG21 VAL 4 HG21 VAL 4 -4.321 -2.719 6.344 8 HG22 VAL 4 HG22 VAL 4 -4.277 -3.204 4.649 9 HG23 VAL 4 HG23 VAL 4 -2.924 -3.590 5.713 No H/Q in entry = 9 In of MODEL 3 1 H TYR 5 H TYR 5 -3.187 1.283 6.151 2 HA TYR 5 HA TYR 5 -5.079 1.112 8.352 3 HB2 TYR 5 HB2 TYR 5 -2.860 3.182 8.348 4 HB3 TYR 5 HB3 TYR 5 -4.279 3.244 9.379 5 HD1 TYR 5 HD1 TYR 5 -0.972 2.811 9.568 6 HD2 TYR 5 HD2 TYR 5 -4.480 0.619 10.593 7 HE1 TYR 5 HE1 TYR 5 0.292 1.627 11.304 8 HE2 TYR 5 HE2 TYR 5 -3.211 -0.594 12.335 9 HH TYR 5 HH TYR 5 -0.791 -1.170 12.793 No H/Q in entry = 9 In of MODEL 3 1 H SER 6 H SER 6 -6.266 3.396 8.442 2 HA SER 6 HA SER 6 -6.035 4.738 5.837 3 HB2 SER 6 HB2 SER 6 -8.443 4.976 5.726 4 HB3 SER 6 HB3 SER 6 -8.127 3.248 6.020 5 HG SER 6 HG SER 6 -9.685 4.767 7.427 No H/Q in entry = 5 In of MODEL 3 1 H ARG 7 H ARG 7 -6.744 6.941 5.829 2 HA ARG 7 HA ARG 7 -5.928 8.320 8.241 3 HB2 ARG 7 HB2 ARG 7 -5.645 8.855 5.558 4 HB3 ARG 7 HB3 ARG 7 -6.945 9.949 6.012 5 HG2 ARG 7 HG2 ARG 7 -4.264 9.803 7.375 6 HG3 ARG 7 HG3 ARG 7 -4.707 10.972 6.132 7 HD2 ARG 7 HD2 ARG 7 -6.415 11.902 7.546 8 HD3 ARG 7 HD3 ARG 7 -6.151 10.646 8.757 9 HE ARG 7 HE ARG 7 -3.737 12.034 8.283 10 HH11 ARG 7 HH11 ARG 7 -6.862 12.469 9.811 11 HH12 ARG 7 HH12 ARG 7 -6.281 13.645 10.942 12 HH21 ARG 7 HH21 ARG 7 -2.981 13.570 9.781 13 HH22 ARG 7 HH22 ARG 7 -4.078 14.269 10.931 No H/Q in entry = 13 In of MODEL 3 1 H HIS 8 H HIS 8 -8.875 7.376 6.808 2 HA HIS 8 HA HIS 8 -10.390 9.168 8.561 3 HB2 HIS 8 HB2 HIS 8 -10.922 8.755 5.607 4 HB3 HIS 8 HB3 HIS 8 -12.033 9.553 6.712 5 HD2 HIS 8 HD2 HIS 8 -9.752 10.630 4.129 6 HE1 HIS 8 HE1 HIS 8 -9.236 13.525 7.167 7 HE2 HIS 8 HE2 HIS 8 -9.017 13.051 4.685 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 9 HA PRO 9 -12.932 5.626 9.415 2 HB2 PRO 9 HB2 PRO 9 -15.405 7.166 9.102 3 HB3 PRO 9 HB3 PRO 9 -14.702 6.456 10.566 4 HG2 PRO 9 HG2 PRO 9 -14.770 9.140 10.134 5 HG3 PRO 9 HG3 PRO 9 -13.441 8.353 11.015 6 HD2 PRO 9 HD2 PRO 9 -13.544 9.285 8.165 7 HD3 PRO 9 HD3 PRO 9 -12.225 9.458 9.347 No H/Q in entry = 7 In of MODEL 3 1 H ALA 10 H ALA 10 -13.825 3.965 8.273 2 HA ALA 10 HA ALA 10 -14.139 4.070 5.496 3 HB1 ALA 10 HB1 ALA 10 -15.005 1.801 5.673 4 HB2 ALA 10 HB2 ALA 10 -13.625 2.015 6.750 5 HB3 ALA 10 HB3 ALA 10 -15.262 2.017 7.404 No H/Q in entry = 5 In of MODEL 3 1 H GLU 11 H GLU 11 -15.648 5.526 4.674 2 HA GLU 11 HA GLU 11 -18.447 4.854 5.366 3 HB2 GLU 11 HB2 GLU 11 -17.155 7.441 4.636 4 HB3 GLU 11 HB3 GLU 11 -18.817 7.175 4.133 5 HG2 GLU 11 HG2 GLU 11 -17.800 7.043 6.959 6 HG3 GLU 11 HG3 GLU 11 -18.669 8.388 6.233 No H/Q in entry = 6 In of MODEL 3 1 H ASN 12 H ASN 12 -19.624 3.889 3.789 2 HA ASN 12 HA ASN 12 -18.494 3.280 1.258 3 HB2 ASN 12 HB2 ASN 12 -20.058 1.679 2.032 4 HB3 ASN 12 HB3 ASN 12 -21.252 2.898 2.478 5 HD21 ASN 12 HD21 ASN 12 -22.596 3.730 0.874 6 HD22 ASN 12 HD22 ASN 12 -22.752 2.987 -0.679 No H/Q in entry = 6 In of MODEL 3 1 H GLY 13 H GLY 13 -18.162 4.699 -0.286 2 HA2 GLY 13 HA2 GLY 13 -20.245 6.747 -0.807 3 HA3 GLY 13 HA3 GLY 13 -19.335 5.947 -2.073 No H/Q in entry = 3 In of MODEL 3 1 H LYS 14 H LYS 14 -17.457 6.785 0.701 2 HA LYS 14 HA LYS 14 -16.823 9.427 -0.421 3 HB2 LYS 14 HB2 LYS 14 -15.465 8.258 1.984 4 HB3 LYS 14 HB3 LYS 14 -15.721 9.943 1.582 5 HG2 LYS 14 HG2 LYS 14 -17.789 7.992 2.552 6 HG3 LYS 14 HG3 LYS 14 -17.043 9.298 3.462 7 HD2 LYS 14 HD2 LYS 14 -18.791 9.648 1.040 8 HD3 LYS 14 HD3 LYS 14 -19.309 9.841 2.726 9 HE2 LYS 14 HE2 LYS 14 -17.250 11.490 1.246 10 HE3 LYS 14 HE3 LYS 14 -18.852 12.010 1.762 11 HZ1 LYS 14 HZ1 LYS 14 -18.136 11.634 4.081 12 HZ2 LYS 14 HZ2 LYS 14 -16.568 11.292 3.522 13 HZ3 LYS 14 HZ3 LYS 14 -17.230 12.833 3.292 No H/Q in entry = 13 In of MODEL 3 1 H SER 15 H SER 15 -14.820 10.037 -1.132 2 HA SER 15 HA SER 15 -12.881 7.894 -1.519 3 HB2 SER 15 HB2 SER 15 -11.753 9.927 -2.843 4 HB3 SER 15 HB3 SER 15 -12.976 8.880 -3.570 5 HG SER 15 HG SER 15 -14.088 10.644 -3.832 No H/Q in entry = 5 In of MODEL 3 1 H ASN 16 H ASN 16 -10.870 7.954 -0.697 2 HA ASN 16 HA ASN 16 -9.990 10.056 1.095 3 HB2 ASN 16 HB2 ASN 16 -10.316 7.285 2.252 4 HB3 ASN 16 HB3 ASN 16 -9.960 8.780 3.101 5 HD21 ASN 16 HD21 ASN 16 -11.636 9.983 3.884 6 HD22 ASN 16 HD22 ASN 16 -13.301 9.535 3.723 No H/Q in entry = 6 In of MODEL 3 1 H PHE 17 H PHE 17 -8.062 8.166 2.405 2 HA PHE 17 HA PHE 17 -6.533 7.409 0.014 3 HB2 PHE 17 HB2 PHE 17 -5.637 9.095 2.338 4 HB3 PHE 17 HB3 PHE 17 -4.478 8.202 1.354 5 HD1 PHE 17 HD1 PHE 17 -5.572 8.441 -1.289 6 HD2 PHE 17 HD2 PHE 17 -5.333 11.346 1.801 7 HE1 PHE 17 HE1 PHE 17 -5.569 10.226 -2.986 8 HE2 PHE 17 HE2 PHE 17 -5.331 13.143 0.119 9 HZ PHE 17 HZ PHE 17 -5.447 12.585 -2.277 No H/Q in entry = 9 In of MODEL 3 1 H LEU 18 H LEU 18 -5.453 5.505 0.093 2 HA LEU 18 HA LEU 18 -5.713 3.938 2.552 3 HB2 LEU 18 HB2 LEU 18 -6.541 2.785 0.630 4 HB3 LEU 18 HB3 LEU 18 -5.102 3.160 -0.294 5 HG LEU 18 HG LEU 18 -3.782 1.586 1.048 6 HD11 LEU 18 HD11 LEU 18 -6.358 1.100 2.550 7 HD12 LEU 18 HD12 LEU 18 -4.916 0.094 2.661 8 HD13 LEU 18 HD13 LEU 18 -4.861 1.770 3.202 9 HD21 LEU 18 HD21 LEU 18 -6.364 0.418 0.016 10 HD22 LEU 18 HD22 LEU 18 -4.891 0.707 -0.910 11 HD23 LEU 18 HD23 LEU 18 -4.901 -0.498 0.377 No H/Q in entry = 11 In of MODEL 3 1 H ASN 19 H ASN 19 -4.070 3.629 3.851 2 HA ASN 19 HA ASN 19 -1.393 4.516 2.954 3 HB2 ASN 19 HB2 ASN 19 -1.674 5.895 4.764 4 HB3 ASN 19 HB3 ASN 19 -2.859 4.832 5.524 5 HD21 ASN 19 HD21 ASN 19 -2.108 3.133 6.840 6 HD22 ASN 19 HD22 ASN 19 -0.521 3.165 7.519 No H/Q in entry = 6 In of MODEL 3 1 H CYS 20 H CYS 20 0.209 3.041 2.724 2 HA CYS 20 HA CYS 20 -0.039 0.486 4.159 3 HB2 CYS 20 HB2 CYS 20 -0.486 -0.031 1.890 4 HB3 CYS 20 HB3 CYS 20 0.687 1.144 1.288 No H/Q in entry = 4 In of MODEL 3 1 H TYR 21 H TYR 21 1.616 0.392 5.629 2 HA TYR 21 HA TYR 21 4.040 1.964 5.168 3 HB2 TYR 21 HB2 TYR 21 3.155 0.334 7.548 4 HB3 TYR 21 HB3 TYR 21 4.715 1.110 7.447 5 HD1 TYR 21 HD1 TYR 21 4.826 3.618 7.408 6 HD2 TYR 21 HD2 TYR 21 1.225 1.512 8.236 7 HE1 TYR 21 HE1 TYR 21 3.903 5.634 8.483 8 HE2 TYR 21 HE2 TYR 21 0.288 3.523 9.298 9 HH TYR 21 HH TYR 21 1.237 5.586 10.462 No H/Q in entry = 9 In of MODEL 3 1 H VAL 22 H VAL 22 5.916 1.153 4.489 2 HA VAL 22 HA VAL 22 6.357 -1.739 4.815 3 HB VAL 22 HB VAL 22 7.347 -0.062 2.469 4 HG11 VAL 22 HG11 VAL 22 8.767 -1.990 3.104 5 HG12 VAL 22 HG12 VAL 22 7.384 -3.055 2.839 6 HG13 VAL 22 HG13 VAL 22 8.064 -2.138 1.491 7 HG21 VAL 22 HG21 VAL 22 5.055 -2.024 2.598 8 HG22 VAL 22 HG22 VAL 22 4.962 -0.294 2.265 9 HG23 VAL 22 HG23 VAL 22 5.739 -1.372 1.104 No H/Q in entry = 9 In of MODEL 3 1 H SER 23 H SER 23 7.859 -1.819 6.430 2 HA SER 23 HA SER 23 9.743 0.441 6.647 3 HB2 SER 23 HB2 SER 23 9.470 0.078 9.146 4 HB3 SER 23 HB3 SER 23 8.041 0.648 8.294 5 HG SER 23 HG SER 23 8.597 -2.045 9.020 No H/Q in entry = 5 In of MODEL 3 1 H GLY 24 H GLY 24 11.876 0.086 7.145 2 HA2 GLY 24 HA2 GLY 24 12.759 -2.594 7.974 3 HA3 GLY 24 HA3 GLY 24 13.734 -1.130 8.015 No H/Q in entry = 3 In of MODEL 3 1 H PHE 25 H PHE 25 12.264 -1.046 5.146 2 HA PHE 25 HA PHE 25 14.299 -2.694 3.801 3 HB2 PHE 25 HB2 PHE 25 11.702 -1.704 2.643 4 HB3 PHE 25 HB3 PHE 25 12.773 -2.934 1.984 5 HD1 PHE 25 HD1 PHE 25 12.987 -5.155 3.170 6 HD2 PHE 25 HD2 PHE 25 10.024 -2.284 4.244 7 HE1 PHE 25 HE1 PHE 25 11.673 -6.928 4.286 8 HE2 PHE 25 HE2 PHE 25 8.711 -4.056 5.364 9 HZ PHE 25 HZ PHE 25 9.520 -6.365 5.342 No H/Q in entry = 9 In of MODEL 3 1 H HIS 26 H HIS 26 15.306 -1.910 1.922 2 HA HIS 26 HA HIS 26 15.472 1.003 1.737 3 HB2 HIS 26 HB2 HIS 26 17.165 -1.123 0.400 4 HB3 HIS 26 HB3 HIS 26 17.465 0.615 0.361 5 HD2 HIS 26 HD2 HIS 26 17.948 1.678 3.077 6 HE1 HIS 26 HE1 HIS 26 19.613 -2.026 4.271 7 HE2 HIS 26 HE2 HIS 26 19.552 0.467 4.728 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 27 HA PRO 27 12.512 1.169 -1.422 2 HB2 PRO 27 HB2 PRO 27 13.992 3.537 -2.430 3 HB3 PRO 27 HB3 PRO 27 12.317 3.411 -1.881 4 HG2 PRO 27 HG2 PRO 27 14.151 4.592 -0.362 5 HG3 PRO 27 HG3 PRO 27 12.899 3.557 0.364 6 HD2 PRO 27 HD2 PRO 27 15.786 2.944 -0.211 7 HD3 PRO 27 HD3 PRO 27 14.806 2.532 1.215 No H/Q in entry = 7 In of MODEL 3 1 H SER 28 H SER 28 15.844 0.920 -2.364 2 HA SER 28 HA SER 28 15.402 1.342 -5.136 3 HB2 SER 28 HB2 SER 28 17.568 1.862 -4.271 4 HB3 SER 28 HB3 SER 28 17.769 0.227 -3.632 5 HG SER 28 HG SER 28 17.367 0.637 -6.396 No H/Q in entry = 5 In of MODEL 3 1 H ASP 29 H ASP 29 15.668 -1.685 -3.213 2 HA ASP 29 HA ASP 29 15.296 -3.138 -5.754 3 HB2 ASP 29 HB2 ASP 29 16.464 -4.183 -3.164 4 HB3 ASP 29 HB3 ASP 29 16.185 -5.143 -4.608 No H/Q in entry = 4 In of MODEL 3 1 H ILE 30 H ILE 30 12.985 -2.046 -4.206 2 HA ILE 30 HA ILE 30 11.724 -4.656 -3.751 3 HB ILE 30 HB ILE 30 10.877 -4.192 -1.722 4 HG12 ILE 30 HG12 ILE 30 10.755 -1.221 -2.298 5 HG13 ILE 30 HG13 ILE 30 9.439 -2.367 -2.544 6 HG21 ILE 30 HG21 ILE 30 13.131 -2.197 -1.767 7 HG22 ILE 30 HG22 ILE 30 12.338 -2.790 -0.307 8 HG23 ILE 30 HG23 ILE 30 13.227 -3.902 -1.344 9 HD11 ILE 30 HD11 ILE 30 9.510 -2.918 -0.140 10 HD12 ILE 30 HD12 ILE 30 10.731 -1.664 0.074 11 HD13 ILE 30 HD13 ILE 30 9.106 -1.227 -0.459 No H/Q in entry = 11 In of MODEL 3 1 H GLU 31 H GLU 31 9.408 -4.673 -3.918 2 HA GLU 31 HA GLU 31 8.307 -2.493 -5.562 3 HB2 GLU 31 HB2 GLU 31 8.281 -5.440 -6.036 4 HB3 GLU 31 HB3 GLU 31 6.883 -4.487 -6.528 5 HG2 GLU 31 HG2 GLU 31 9.700 -3.818 -7.380 6 HG3 GLU 31 HG3 GLU 31 8.585 -4.805 -8.316 No H/Q in entry = 6 In of MODEL 3 1 H VAL 32 H VAL 32 6.529 -1.697 -4.777 2 HA VAL 32 HA VAL 32 4.763 -3.290 -3.067 3 HB VAL 32 HB VAL 32 5.588 -2.272 -1.200 4 HG11 VAL 32 HG11 VAL 32 7.482 -1.308 -2.441 5 HG12 VAL 32 HG12 VAL 32 6.489 0.091 -2.843 6 HG13 VAL 32 HG13 VAL 32 6.902 -0.246 -1.160 7 HG21 VAL 32 HG21 VAL 32 3.358 -1.305 -1.414 8 HG22 VAL 32 HG22 VAL 32 4.467 -0.209 -0.592 9 HG23 VAL 32 HG23 VAL 32 4.035 0.074 -2.279 No H/Q in entry = 9 In of MODEL 3 1 H ASP 33 H ASP 33 2.621 -2.929 -3.430 2 HA ASP 33 HA ASP 33 1.855 -0.518 -4.921 3 HB2 ASP 33 HB2 ASP 33 1.315 -3.373 -5.820 4 HB3 ASP 33 HB3 ASP 33 0.321 -2.018 -6.328 No H/Q in entry = 4 In of MODEL 3 1 H LEU 34 H LEU 34 -0.559 -0.394 -5.082 2 HA LEU 34 HA LEU 34 -1.825 -1.447 -2.641 3 HB2 LEU 34 HB2 LEU 34 -2.124 1.167 -4.053 4 HB3 LEU 34 HB3 LEU 34 -3.538 0.505 -3.253 5 HG LEU 34 HG LEU 34 -2.188 0.397 -1.124 6 HD11 LEU 34 HD11 LEU 34 0.046 0.433 -2.107 7 HD12 LEU 34 HD12 LEU 34 -0.231 2.080 -2.682 8 HD13 LEU 34 HD13 LEU 34 -0.175 1.745 -0.950 9 HD21 LEU 34 HD21 LEU 34 -3.776 2.202 -1.595 10 HD22 LEU 34 HD22 LEU 34 -2.415 2.738 -0.612 11 HD23 LEU 34 HD23 LEU 34 -2.473 3.137 -2.330 No H/Q in entry = 11 In of MODEL 3 1 H LEU 35 H LEU 35 -3.544 -2.751 -2.868 2 HA LEU 35 HA LEU 35 -4.377 -3.374 -5.630 3 HB2 LEU 35 HB2 LEU 35 -4.012 -5.334 -3.361 4 HB3 LEU 35 HB3 LEU 35 -4.496 -5.711 -4.994 5 HG LEU 35 HG LEU 35 -1.777 -5.039 -3.936 6 HD11 LEU 35 HD11 LEU 35 -2.932 -7.158 -5.756 7 HD12 LEU 35 HD12 LEU 35 -1.230 -7.036 -5.322 8 HD13 LEU 35 HD13 LEU 35 -2.441 -7.373 -4.074 9 HD21 LEU 35 HD21 LEU 35 -2.201 -3.523 -5.889 10 HD22 LEU 35 HD22 LEU 35 -0.905 -4.695 -6.142 11 HD23 LEU 35 HD23 LEU 35 -2.487 -4.958 -6.863 No H/Q in entry = 11 In of MODEL 3 1 H LYS 36 H LYS 36 -6.355 -4.620 -5.801 2 HA LYS 36 HA LYS 36 -8.238 -4.447 -3.538 3 HB2 LYS 36 HB2 LYS 36 -9.235 -4.861 -6.324 4 HB3 LYS 36 HB3 LYS 36 -10.004 -3.990 -4.984 5 HG2 LYS 36 HG2 LYS 36 -8.534 -2.097 -5.384 6 HG3 LYS 36 HG3 LYS 36 -7.654 -2.983 -6.619 7 HD2 LYS 36 HD2 LYS 36 -9.236 -1.366 -7.603 8 HD3 LYS 36 HD3 LYS 36 -9.601 -3.029 -8.076 9 HE2 LYS 36 HE2 LYS 36 -11.622 -1.638 -7.530 10 HE3 LYS 36 HE3 LYS 36 -11.483 -3.078 -6.519 11 HZ1 LYS 36 HZ1 LYS 36 -10.644 -0.327 -5.746 12 HZ2 LYS 36 HZ2 LYS 36 -12.087 -1.073 -5.275 13 HZ3 LYS 36 HZ3 LYS 36 -10.604 -1.698 -4.750 No H/Q in entry = 13 In of MODEL 3 1 H ASN 37 H ASN 37 -8.254 -6.517 -2.717 2 HA ASN 37 HA ASN 37 -7.870 -8.787 -2.662 3 HB2 ASN 37 HB2 ASN 37 -9.694 -9.968 -4.080 4 HB3 ASN 37 HB3 ASN 37 -10.208 -8.853 -2.819 5 HD21 ASN 37 HD21 ASN 37 -10.805 -6.713 -3.463 6 HD22 ASN 37 HD22 ASN 37 -11.489 -6.416 -5.026 No H/Q in entry = 6 In of MODEL 3 1 H GLY 38 H GLY 38 -5.820 -7.918 -4.016 2 HA2 GLY 38 HA2 GLY 38 -5.262 -10.056 -5.840 3 HA3 GLY 38 HA3 GLY 38 -4.133 -8.828 -5.322 No H/Q in entry = 3 In of MODEL 3 1 H GLU 39 H GLU 39 -6.016 -6.645 -6.309 2 HA GLU 39 HA GLU 39 -5.310 -6.955 -9.144 3 HB2 GLU 39 HB2 GLU 39 -7.771 -7.346 -8.774 4 HB3 GLU 39 HB3 GLU 39 -7.893 -5.690 -8.197 5 HG2 GLU 39 HG2 GLU 39 -8.609 -5.855 -10.523 6 HG3 GLU 39 HG3 GLU 39 -7.151 -4.865 -10.374 No H/Q in entry = 6 In of MODEL 3 1 H ARG 40 H ARG 40 -3.859 -5.451 -9.603 2 HA ARG 40 HA ARG 40 -3.173 -3.297 -8.037 3 HB2 ARG 40 HB2 ARG 40 -1.978 -4.399 -10.143 4 HB3 ARG 40 HB3 ARG 40 -2.815 -3.134 -11.028 5 HG2 ARG 40 HG2 ARG 40 -1.685 -1.419 -9.812 6 HG3 ARG 40 HG3 ARG 40 -1.027 -2.597 -8.698 7 HD2 ARG 40 HD2 ARG 40 -0.265 -3.130 -11.483 8 HD3 ARG 40 HD3 ARG 40 0.327 -1.588 -10.865 9 HE ARG 40 HE ARG 40 1.250 -2.917 -8.959 10 HH11 ARG 40 HH11 ARG 40 0.735 -4.380 -12.094 11 HH12 ARG 40 HH12 ARG 40 2.069 -5.480 -11.931 12 HH21 ARG 40 HH21 ARG 40 3.009 -4.319 -8.743 13 HH22 ARG 40 HH22 ARG 40 3.369 -5.450 -10.024 No H/Q in entry = 13 In of MODEL 3 1 H ILE 41 H ILE 41 -4.025 -1.429 -7.594 2 HA ILE 41 HA ILE 41 -6.548 -0.664 -8.568 3 HB ILE 41 HB ILE 41 -4.575 0.855 -6.867 4 HG12 ILE 41 HG12 ILE 41 -6.980 -0.837 -6.171 5 HG13 ILE 41 HG13 ILE 41 -5.300 -1.312 -5.955 6 HG21 ILE 41 HG21 ILE 41 -6.187 2.408 -7.878 7 HG22 ILE 41 HG22 ILE 41 -7.516 1.405 -7.307 8 HG23 ILE 41 HG23 ILE 41 -6.474 2.230 -6.147 9 HD11 ILE 41 HD11 ILE 41 -6.318 1.135 -4.605 10 HD12 ILE 41 HD12 ILE 41 -6.683 -0.467 -3.953 11 HD13 ILE 41 HD13 ILE 41 -5.000 0.047 -4.153 No H/Q in entry = 11 In of MODEL 3 1 H GLU 42 H GLU 42 -3.918 1.689 -8.497 2 HA GLU 42 HA GLU 42 -2.574 1.718 -10.696 3 HB2 GLU 42 HB2 GLU 42 -5.310 2.606 -11.622 4 HB3 GLU 42 HB3 GLU 42 -3.838 3.106 -12.438 5 HG2 GLU 42 HG2 GLU 42 -3.539 0.391 -12.299 6 HG3 GLU 42 HG3 GLU 42 -5.271 0.575 -12.535 No H/Q in entry = 6 In of MODEL 3 1 H LYS 43 H LYS 43 -4.861 3.847 -8.958 2 HA LYS 43 HA LYS 43 -3.466 6.219 -9.835 3 HB2 LYS 43 HB2 LYS 43 -5.561 6.002 -7.670 4 HB3 LYS 43 HB3 LYS 43 -5.100 7.436 -8.569 5 HG2 LYS 43 HG2 LYS 43 -6.759 5.101 -9.487 6 HG3 LYS 43 HG3 LYS 43 -7.191 6.814 -9.430 7 HD2 LYS 43 HD2 LYS 43 -5.288 7.128 -11.131 8 HD3 LYS 43 HD3 LYS 43 -5.391 5.379 -11.345 9 HE2 LYS 43 HE2 LYS 43 -7.781 5.604 -11.901 10 HE3 LYS 43 HE3 LYS 43 -7.642 7.353 -11.729 11 HZ1 LYS 43 HZ1 LYS 43 -5.977 7.323 -13.520 12 HZ2 LYS 43 HZ2 LYS 43 -6.242 5.660 -13.728 13 HZ3 LYS 43 HZ3 LYS 43 -7.496 6.762 -14.030 No H/Q in entry = 13 In of MODEL 3 1 H VAL 44 H VAL 44 -1.510 4.852 -8.671 2 HA VAL 44 HA VAL 44 -1.380 5.906 -5.936 3 HB VAL 44 HB VAL 44 -1.480 3.220 -6.460 4 HG11 VAL 44 HG11 VAL 44 1.419 3.956 -6.291 5 HG12 VAL 44 HG12 VAL 44 0.786 2.333 -6.014 6 HG13 VAL 44 HG13 VAL 44 0.614 3.089 -7.598 7 HG21 VAL 44 HG21 VAL 44 -1.753 4.247 -4.287 8 HG22 VAL 44 HG22 VAL 44 -0.624 2.894 -4.200 9 HG23 VAL 44 HG23 VAL 44 -0.019 4.553 -4.195 No H/Q in entry = 9 In of MODEL 3 1 H GLU 45 H GLU 45 0.335 7.157 -5.564 2 HA GLU 45 HA GLU 45 2.611 7.011 -7.417 3 HB2 GLU 45 HB2 GLU 45 1.005 9.514 -6.870 4 HB3 GLU 45 HB3 GLU 45 2.578 9.515 -7.644 5 HG2 GLU 45 HG2 GLU 45 1.694 8.341 -9.565 6 HG3 GLU 45 HG3 GLU 45 0.134 8.124 -8.764 No H/Q in entry = 6 In of MODEL 3 1 H HIS 46 H HIS 46 4.177 6.506 -5.964 2 HA HIS 46 HA HIS 46 4.824 8.689 -4.108 3 HB2 HIS 46 HB2 HIS 46 4.540 6.532 -2.934 4 HB3 HIS 46 HB3 HIS 46 5.723 5.769 -3.994 5 HD2 HIS 46 HD2 HIS 46 5.873 8.929 -1.595 6 HE1 HIS 46 HE1 HIS 46 9.392 6.614 -1.212 7 HE2 HIS 46 HE2 HIS 46 8.259 8.798 -0.595 No H/Q in entry = 7 In of MODEL 3 1 H SER 47 H SER 47 7.686 8.398 -3.995 2 HA SER 47 HA SER 47 8.232 8.883 -6.794 3 HB2 SER 47 HB2 SER 47 9.577 10.960 -6.057 4 HB3 SER 47 HB3 SER 47 7.828 11.135 -6.176 5 HG SER 47 HG SER 47 8.902 11.981 -4.214 No H/Q in entry = 5 In of MODEL 3 1 H ASP 48 H ASP 48 10.007 7.680 -7.263 2 HA ASP 48 HA ASP 48 11.342 6.572 -4.897 3 HB2 ASP 48 HB2 ASP 48 11.878 4.636 -6.230 4 HB3 ASP 48 HB3 ASP 48 10.165 4.993 -6.403 No H/Q in entry = 4 In of MODEL 3 1 H LEU 49 H LEU 49 13.573 6.157 -4.936 2 HA LEU 49 HA LEU 49 14.995 8.309 -6.357 3 HB2 LEU 49 HB2 LEU 49 16.715 7.994 -4.451 4 HB3 LEU 49 HB3 LEU 49 15.222 8.849 -4.105 5 HG LEU 49 HG LEU 49 16.110 7.235 -2.331 6 HD11 LEU 49 HD11 LEU 49 13.819 8.153 -2.288 7 HD12 LEU 49 HD12 LEU 49 13.267 6.757 -3.218 8 HD13 LEU 49 HD13 LEU 49 13.931 6.531 -1.604 9 HD21 LEU 49 HD21 LEU 49 15.001 5.175 -4.229 10 HD22 LEU 49 HD22 LEU 49 16.688 5.359 -3.749 11 HD23 LEU 49 HD23 LEU 49 15.478 4.880 -2.557 No H/Q in entry = 11 In of MODEL 3 1 H SER 50 H SER 50 17.590 7.292 -5.563 2 HA SER 50 HA SER 50 17.919 5.574 -7.874 3 HB2 SER 50 HB2 SER 50 20.426 5.951 -7.054 4 HB3 SER 50 HB3 SER 50 19.544 7.200 -7.937 5 HG SER 50 HG SER 50 19.379 8.375 -6.169 No H/Q in entry = 5 In of MODEL 3 1 H PHE 51 H PHE 51 18.908 5.516 -4.441 2 HA PHE 51 HA PHE 51 18.412 2.681 -4.306 3 HB2 PHE 51 HB2 PHE 51 20.699 2.683 -5.173 4 HB3 PHE 51 HB3 PHE 51 21.202 3.799 -3.910 5 HD1 PHE 51 HD1 PHE 51 21.734 3.028 -1.721 6 HD2 PHE 51 HD2 PHE 51 20.142 0.346 -4.616 7 HE1 PHE 51 HE1 PHE 51 22.333 1.124 -0.283 8 HE2 PHE 51 HE2 PHE 51 20.735 -1.559 -3.181 9 HZ PHE 51 HZ PHE 51 21.833 -1.172 -1.012 No H/Q in entry = 9 In of MODEL 3 1 H SER 52 H SER 52 20.266 5.160 -2.628 2 HA SER 52 HA SER 52 18.343 5.441 -0.514 3 HB2 SER 52 HB2 SER 52 19.604 3.363 0.152 4 HB3 SER 52 HB3 SER 52 21.076 4.331 0.195 5 HG SER 52 HG SER 52 19.969 4.045 2.257 No H/Q in entry = 5 In of MODEL 3 1 H LYS 53 H LYS 53 18.886 7.345 -2.093 2 HA LYS 53 HA LYS 53 21.211 8.869 -1.139 3 HB2 LYS 53 HB2 LYS 53 20.913 8.252 -3.613 4 HB3 LYS 53 HB3 LYS 53 19.601 9.420 -3.625 5 HG2 LYS 53 HG2 LYS 53 21.146 11.186 -2.996 6 HG3 LYS 53 HG3 LYS 53 22.469 10.017 -2.939 7 HD2 LYS 53 HD2 LYS 53 21.928 9.487 -5.351 8 HD3 LYS 53 HD3 LYS 53 20.881 10.906 -5.335 9 HE2 LYS 53 HE2 LYS 53 23.062 11.464 -6.245 10 HE3 LYS 53 HE3 LYS 53 22.793 12.302 -4.717 11 HZ1 LYS 53 HZ1 LYS 53 24.249 9.729 -4.825 12 HZ2 LYS 53 HZ2 LYS 53 25.041 11.203 -5.091 13 HZ3 LYS 53 HZ3 LYS 53 24.276 10.912 -3.606 No H/Q in entry = 13 In of MODEL 3 1 H ASP 54 H ASP 54 20.839 10.570 0.119 2 HA ASP 54 HA ASP 54 19.716 12.063 1.427 3 HB2 ASP 54 HB2 ASP 54 19.652 13.213 -0.819 4 HB3 ASP 54 HB3 ASP 54 18.041 12.546 -1.051 No H/Q in entry = 4 In of MODEL 3 1 H TRP 55 H TRP 55 18.995 9.711 2.123 2 HA TRP 55 HA TRP 55 16.045 9.617 2.146 3 HB2 TRP 55 HB2 TRP 55 17.026 7.946 0.571 4 HB3 TRP 55 HB3 TRP 55 17.917 7.243 1.915 5 HD1 TRP 55 HD1 TRP 55 14.395 7.486 0.431 6 HE1 TRP 55 HE1 TRP 55 12.924 5.707 1.512 7 HE3 TRP 55 HE3 TRP 55 17.613 5.825 4.129 8 HZ2 TRP 55 HZ2 TRP 55 13.044 3.879 3.611 9 HZ3 TRP 55 HZ3 TRP 55 16.810 4.045 5.617 10 HH2 TRP 55 HH2 TRP 55 14.582 3.086 5.372 No H/Q in entry = 10 In of MODEL 3 1 H SER 56 H SER 56 15.397 9.904 4.134 2 HA SER 56 HA SER 56 16.479 8.119 6.161 3 HB2 SER 56 HB2 SER 56 16.076 9.998 7.874 4 HB3 SER 56 HB3 SER 56 17.513 10.149 6.854 5 HG SER 56 HG SER 56 16.664 11.846 5.906 No H/Q in entry = 5 In of MODEL 3 1 H PHE 57 H PHE 57 13.797 10.232 5.072 2 HA PHE 57 HA PHE 57 11.744 9.408 6.541 3 HB2 PHE 57 HB2 PHE 57 10.337 9.816 4.562 4 HB3 PHE 57 HB3 PHE 57 11.541 11.063 4.814 5 HD1 PHE 57 HD1 PHE 57 13.737 10.790 3.390 6 HD2 PHE 57 HD2 PHE 57 10.032 8.916 2.474 7 HE1 PHE 57 HE1 PHE 57 14.441 10.560 1.047 8 HE2 PHE 57 HE2 PHE 57 10.725 8.700 0.122 9 HZ PHE 57 HZ PHE 57 12.933 9.511 -0.589 No H/Q in entry = 9 In of MODEL 3 1 H TYR 58 H TYR 58 9.924 8.097 6.006 2 HA TYR 58 HA TYR 58 10.711 5.311 5.805 3 HB2 TYR 58 HB2 TYR 58 8.904 6.875 7.325 4 HB3 TYR 58 HB3 TYR 58 7.907 5.791 6.374 5 HD1 TYR 58 HD1 TYR 58 11.280 4.821 7.512 6 HD2 TYR 58 HD2 TYR 58 7.104 4.573 8.312 7 HE1 TYR 58 HE1 TYR 58 11.710 3.045 9.170 8 HE2 TYR 58 HE2 TYR 58 7.523 2.788 9.975 9 HH TYR 58 HH TYR 58 10.557 2.106 11.207 No H/Q in entry = 9 In of MODEL 3 1 H LEU 59 H LEU 59 8.979 3.849 4.674 2 HA LEU 59 HA LEU 59 8.550 4.965 1.961 3 HB2 LEU 59 HB2 LEU 59 9.069 2.249 3.085 4 HB3 LEU 59 HB3 LEU 59 8.024 2.344 1.687 5 HG LEU 59 HG LEU 59 10.794 3.548 1.668 6 HD11 LEU 59 HD11 LEU 59 10.898 1.124 2.260 7 HD12 LEU 59 HD12 LEU 59 10.009 0.761 0.780 8 HD13 LEU 59 HD13 LEU 59 11.610 1.493 0.692 9 HD21 LEU 59 HD21 LEU 59 8.814 2.684 -0.442 10 HD22 LEU 59 HD22 LEU 59 9.399 4.316 -0.127 11 HD23 LEU 59 HD23 LEU 59 10.491 3.103 -0.795 No H/Q in entry = 11 In of MODEL 3 1 H LEU 60 H LEU 60 6.560 5.594 1.557 2 HA LEU 60 HA LEU 60 4.285 3.958 2.349 3 HB2 LEU 60 HB2 LEU 60 4.437 5.533 4.149 4 HB3 LEU 60 HB3 LEU 60 4.679 6.864 3.039 5 HG LEU 60 HG LEU 60 2.367 6.614 2.244 6 HD11 LEU 60 HD11 LEU 60 2.081 4.236 2.659 7 HD12 LEU 60 HD12 LEU 60 2.144 4.527 4.396 8 HD13 LEU 60 HD13 LEU 60 0.812 5.176 3.443 9 HD21 LEU 60 HD21 LEU 60 2.866 8.176 4.046 10 HD22 LEU 60 HD22 LEU 60 1.269 7.457 4.256 11 HD23 LEU 60 HD23 LEU 60 2.624 6.893 5.233 No H/Q in entry = 11 In of MODEL 3 1 H TYR 61 H TYR 61 2.543 4.178 0.947 2 HA TYR 61 HA TYR 61 2.922 5.919 -1.396 3 HB2 TYR 61 HB2 TYR 61 2.079 2.995 -1.297 4 HB3 TYR 61 HB3 TYR 61 1.816 4.012 -2.722 5 HD1 TYR 61 HD1 TYR 61 3.437 4.034 -4.375 6 HD2 TYR 61 HD2 TYR 61 4.633 2.956 -0.435 7 HE1 TYR 61 HE1 TYR 61 5.693 3.532 -5.211 8 HE2 TYR 61 HE2 TYR 61 6.910 2.455 -1.273 9 HH TYR 61 HH TYR 61 7.979 3.374 -4.350 No H/Q in entry = 9 In of MODEL 3 1 H TYR 62 H TYR 62 0.764 6.376 -2.541 2 HA TYR 62 HA TYR 62 -1.501 6.041 -0.753 3 HB2 TYR 62 HB2 TYR 62 -2.117 8.510 -1.016 4 HB3 TYR 62 HB3 TYR 62 -0.883 8.080 0.153 5 HD1 TYR 62 HD1 TYR 62 1.249 9.064 0.053 6 HD2 TYR 62 HD2 TYR 62 -1.385 9.512 -3.251 7 HE1 TYR 62 HE1 TYR 62 2.755 10.747 -0.903 8 HE2 TYR 62 HE2 TYR 62 0.121 11.191 -4.230 9 HH TYR 62 HH TYR 62 3.285 11.703 -3.082 No H/Q in entry = 9 In of MODEL 3 1 H THR 63 H THR 63 -3.481 5.993 -1.690 2 HA THR 63 HA THR 63 -3.775 6.667 -4.517 3 HB THR 63 HB THR 63 -3.124 4.133 -4.151 4 HG1 THR 63 HG1 THR 63 -4.150 5.333 -6.052 5 HG21 THR 63 HG21 THR 63 -4.838 3.680 -2.430 6 HG22 THR 63 HG22 THR 63 -6.089 4.051 -3.614 7 HG23 THR 63 HG23 THR 63 -5.033 2.661 -3.856 No H/Q in entry = 7 In of MODEL 3 1 H GLU 64 H GLU 64 -5.901 7.141 -5.086 2 HA GLU 64 HA GLU 64 -7.706 7.913 -3.036 3 HB2 GLU 64 HB2 GLU 64 -7.636 9.101 -5.198 4 HB3 GLU 64 HB3 GLU 64 -8.106 7.630 -6.031 5 HG2 GLU 64 HG2 GLU 64 -10.258 7.699 -4.724 6 HG3 GLU 64 HG3 GLU 64 -9.759 9.290 -4.141 No H/Q in entry = 6 In of MODEL 3 1 H PHE 65 H PHE 65 -9.432 6.788 -2.147 2 HA PHE 65 HA PHE 65 -10.200 4.289 -3.484 3 HB2 PHE 65 HB2 PHE 65 -10.168 3.019 -1.505 4 HB3 PHE 65 HB3 PHE 65 -8.684 3.940 -1.507 5 HD1 PHE 65 HD1 PHE 65 -12.149 4.605 -0.257 6 HD2 PHE 65 HD2 PHE 65 -7.979 4.483 0.566 7 HE1 PHE 65 HE1 PHE 65 -12.584 5.342 2.049 8 HE2 PHE 65 HE2 PHE 65 -8.422 5.225 2.881 9 HZ PHE 65 HZ PHE 65 -10.741 5.663 3.619 No H/Q in entry = 9 In of MODEL 3 1 H THR 66 H THR 66 -12.342 3.585 -3.189 2 HA THR 66 HA THR 66 -14.065 5.198 -1.436 3 HB THR 66 HB THR 66 -14.811 4.378 -4.270 4 HG1 THR 66 HG1 THR 66 -13.522 6.578 -3.253 5 HG21 THR 66 HG21 THR 66 -16.268 6.012 -2.173 6 HG22 THR 66 HG22 THR 66 -16.743 5.919 -3.872 7 HG23 THR 66 HG23 THR 66 -16.769 4.469 -2.871 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 67 HA PRO 67 -14.794 0.836 -0.433 2 HB2 PRO 67 HB2 PRO 67 -16.359 1.466 1.830 3 HB3 PRO 67 HB3 PRO 67 -14.665 0.990 1.811 4 HG2 PRO 67 HG2 PRO 67 -15.729 3.548 2.458 5 HG3 PRO 67 HG3 PRO 67 -14.026 3.078 2.335 6 HD2 PRO 67 HD2 PRO 67 -15.654 4.639 0.496 7 HD3 PRO 67 HD3 PRO 67 -13.893 4.447 0.543 No H/Q in entry = 7 In of MODEL 3 1 H THR 68 H THR 68 -16.238 -0.443 -1.032 2 HA THR 68 HA THR 68 -19.021 0.425 -1.387 3 HB THR 68 HB THR 68 -19.093 -0.805 -3.500 4 HG1 THR 68 HG1 THR 68 -16.582 -1.327 -4.044 5 HG21 THR 68 HG21 THR 68 -18.338 1.541 -3.577 6 HG22 THR 68 HG22 THR 68 -16.669 0.990 -3.446 7 HG23 THR 68 HG23 THR 68 -17.628 0.565 -4.864 No H/Q in entry = 7 In of MODEL 3 1 H GLU 69 H GLU 69 -20.511 -1.537 -1.488 2 HA GLU 69 HA GLU 69 -20.025 -3.428 0.485 3 HB2 GLU 69 HB2 GLU 69 -22.238 -3.012 -0.177 4 HB3 GLU 69 HB3 GLU 69 -21.923 -3.348 -1.865 5 HG2 GLU 69 HG2 GLU 69 -23.123 -5.198 -1.112 6 HG3 GLU 69 HG3 GLU 69 -21.440 -5.733 -1.132 No H/Q in entry = 6 In of MODEL 3 1 H LYS 70 H LYS 70 -18.446 -3.265 -2.520 2 HA LYS 70 HA LYS 70 -18.048 -6.163 -2.480 3 HB2 LYS 70 HB2 LYS 70 -17.910 -4.303 -4.840 4 HB3 LYS 70 HB3 LYS 70 -17.484 -6.003 -4.904 5 HG2 LYS 70 HG2 LYS 70 -20.215 -5.195 -3.964 6 HG3 LYS 70 HG3 LYS 70 -19.836 -5.208 -5.681 7 HD2 LYS 70 HD2 LYS 70 -20.844 -7.311 -5.110 8 HD3 LYS 70 HD3 LYS 70 -19.145 -7.587 -5.474 9 HE2 LYS 70 HE2 LYS 70 -18.611 -7.885 -3.190 10 HE3 LYS 70 HE3 LYS 70 -20.173 -7.253 -2.665 11 HZ1 LYS 70 HZ1 LYS 70 -21.216 -9.202 -3.702 12 HZ2 LYS 70 HZ2 LYS 70 -19.682 -9.807 -4.102 13 HZ3 LYS 70 HZ3 LYS 70 -20.127 -9.635 -2.478 No H/Q in entry = 13 In of MODEL 3 1 H ASP 71 H ASP 71 -16.098 -3.169 -2.564 2 HA ASP 71 HA ASP 71 -13.893 -4.739 -3.621 3 HB2 ASP 71 HB2 ASP 71 -13.942 -1.761 -3.097 4 HB3 ASP 71 HB3 ASP 71 -12.796 -2.652 -4.074 No H/Q in entry = 4 In of MODEL 3 1 H GLU 72 H GLU 72 -12.334 -5.491 -2.415 2 HA GLU 72 HA GLU 72 -11.815 -4.659 0.367 3 HB2 GLU 72 HB2 GLU 72 -11.994 -7.065 -0.145 4 HB3 GLU 72 HB3 GLU 72 -10.724 -6.927 -1.347 5 HG2 GLU 72 HG2 GLU 72 -9.163 -6.263 0.522 6 HG3 GLU 72 HG3 GLU 72 -10.453 -6.670 1.644 No H/Q in entry = 6 In of MODEL 3 1 H TYR 73 H TYR 73 -9.712 -3.851 0.932 2 HA TYR 73 HA TYR 73 -8.021 -3.107 -1.378 3 HB2 TYR 73 HB2 TYR 73 -8.585 -1.516 1.138 4 HB3 TYR 73 HB3 TYR 73 -7.333 -1.099 -0.021 5 HD1 TYR 73 HD1 TYR 73 -10.993 -1.555 0.366 6 HD2 TYR 73 HD2 TYR 73 -7.847 0.104 -1.973 7 HE1 TYR 73 HE1 TYR 73 -12.644 -0.301 -0.981 8 HE2 TYR 73 HE2 TYR 73 -9.497 1.346 -3.315 9 HH TYR 73 HH TYR 73 -12.809 1.578 -2.419 No H/Q in entry = 9 In of MODEL 3 1 H ALA 74 H ALA 74 -5.925 -3.680 -1.338 2 HA ALA 74 HA ALA 74 -4.747 -4.646 1.174 3 HB1 ALA 74 HB1 ALA 74 -5.596 -6.566 -0.074 4 HB2 ALA 74 HB2 ALA 74 -4.701 -6.045 -1.502 5 HB3 ALA 74 HB3 ALA 74 -3.836 -6.564 -0.053 No H/Q in entry = 5 In of MODEL 3 1 H CYS 75 H CYS 75 -2.357 -4.702 1.111 2 HA CYS 75 HA CYS 75 -1.219 -3.231 -1.184 3 HB2 CYS 75 HB2 CYS 75 -1.194 -1.759 0.721 4 HB3 CYS 75 HB3 CYS 75 -0.436 -2.989 1.717 No H/Q in entry = 4 In of MODEL 3 1 H ARG 76 H ARG 76 0.523 -4.124 -2.178 2 HA ARG 76 HA ARG 76 1.404 -6.764 -1.207 3 HB2 ARG 76 HB2 ARG 76 0.212 -6.489 -3.447 4 HB3 ARG 76 HB3 ARG 76 1.655 -5.630 -3.992 5 HG2 ARG 76 HG2 ARG 76 2.571 -7.592 -4.543 6 HG3 ARG 76 HG3 ARG 76 2.478 -8.121 -2.867 7 HD2 ARG 76 HD2 ARG 76 -0.088 -8.551 -3.723 8 HD3 ARG 76 HD3 ARG 76 0.828 -8.907 -5.198 9 HE ARG 76 HE ARG 76 1.622 -10.168 -2.669 10 HH11 ARG 76 HH11 ARG 76 0.360 -10.405 -5.928 11 HH12 ARG 76 HH12 ARG 76 0.497 -12.140 -5.986 12 HH21 ARG 76 HH21 ARG 76 1.820 -12.463 -2.761 13 HH22 ARG 76 HH22 ARG 76 1.319 -13.295 -4.204 No H/Q in entry = 13 In of MODEL 3 1 H VAL 77 H VAL 77 3.567 -7.035 -0.697 2 HA VAL 77 HA VAL 77 5.484 -5.232 -2.023 3 HB VAL 77 HB VAL 77 5.033 -4.601 0.440 4 HG11 VAL 77 HG11 VAL 77 6.798 -7.010 0.861 5 HG12 VAL 77 HG12 VAL 77 6.450 -5.776 2.073 6 HG13 VAL 77 HG13 VAL 77 5.149 -6.791 1.450 7 HG21 VAL 77 HG21 VAL 77 6.845 -3.745 -1.000 8 HG22 VAL 77 HG22 VAL 77 7.306 -3.863 0.701 9 HG23 VAL 77 HG23 VAL 77 7.873 -5.076 -0.449 No H/Q in entry = 9 In of MODEL 3 1 H ASN 78 H ASN 78 7.185 -6.092 -2.830 2 HA ASN 78 HA ASN 78 7.938 -8.871 -2.133 3 HB2 ASN 78 HB2 ASN 78 6.670 -8.746 -4.305 4 HB3 ASN 78 HB3 ASN 78 7.970 -7.736 -4.943 5 HD21 ASN 78 HD21 ASN 78 8.444 -9.249 -6.540 6 HD22 ASN 78 HD22 ASN 78 9.249 -10.738 -6.188 No H/Q in entry = 6 In of MODEL 3 1 H HIS 79 H HIS 79 10.051 -9.234 -1.823 2 HA HIS 79 HA HIS 79 11.953 -7.207 -2.660 3 HB2 HIS 79 HB2 HIS 79 12.153 -8.709 -0.051 4 HB3 HIS 79 HB3 HIS 79 13.047 -7.331 -0.596 5 HD2 HIS 79 HD2 HIS 79 12.379 -5.105 0.596 6 HE1 HIS 79 HE1 HIS 79 8.378 -6.163 1.467 7 HE2 HIS 79 HE2 HIS 79 10.192 -4.438 1.813 No H/Q in entry = 7 In of MODEL 3 1 H VAL 80 H VAL 80 14.168 -8.121 -2.756 2 HA VAL 80 HA VAL 80 14.433 -10.472 -4.171 3 HB VAL 80 HB VAL 80 16.538 -9.377 -2.293 4 HG11 VAL 80 HG11 VAL 80 17.066 -11.612 -3.122 5 HG12 VAL 80 HG12 VAL 80 16.805 -11.071 -4.780 6 HG13 VAL 80 HG13 VAL 80 18.139 -10.408 -3.835 7 HG21 VAL 80 HG21 VAL 80 15.931 -8.656 -5.159 8 HG22 VAL 80 HG22 VAL 80 15.774 -7.611 -3.747 9 HG23 VAL 80 HG23 VAL 80 17.368 -8.149 -4.270 No H/Q in entry = 9 In of MODEL 3 1 H THR 81 H THR 81 14.209 -10.098 -0.695 2 HA THR 81 HA THR 81 15.269 -12.700 -0.084 3 HB THR 81 HB THR 81 15.618 -11.165 1.637 4 HG1 THR 81 HG1 THR 81 14.989 -12.994 2.663 5 HG21 THR 81 HG21 THR 81 12.681 -10.439 1.532 6 HG22 THR 81 HG22 THR 81 13.863 -9.788 2.669 7 HG23 THR 81 HG23 THR 81 14.021 -9.452 0.947 No H/Q in entry = 7 In of MODEL 3 1 H LEU 82 H LEU 82 11.955 -11.350 0.294 2 HA LEU 82 HA LEU 82 10.687 -13.586 1.200 3 HB2 LEU 82 HB2 LEU 82 9.436 -11.724 -0.810 4 HB3 LEU 82 HB3 LEU 82 8.614 -12.711 0.390 5 HG LEU 82 HG LEU 82 10.454 -10.431 1.073 6 HD11 LEU 82 HD11 LEU 82 7.464 -10.526 0.845 7 HD12 LEU 82 HD12 LEU 82 8.370 -9.236 1.643 8 HD13 LEU 82 HD13 LEU 82 8.594 -9.530 -0.080 9 HD21 LEU 82 HD21 LEU 82 10.267 -12.117 2.825 10 HD22 LEU 82 HD22 LEU 82 9.451 -10.626 3.291 11 HD23 LEU 82 HD23 LEU 82 8.508 -12.010 2.743 No H/Q in entry = 11 In of MODEL 3 1 H SER 83 H SER 83 11.179 -12.757 -2.207 2 HA SER 83 HA SER 83 11.193 -14.015 -4.091 3 HB2 SER 83 HB2 SER 83 12.265 -15.842 -2.842 4 HB3 SER 83 HB3 SER 83 10.687 -16.404 -2.296 5 HG SER 83 HG SER 83 11.153 -16.115 -5.051 No H/Q in entry = 5 In of MODEL 3 1 H GLN 84 H GLN 84 8.582 -14.433 -1.784 2 HA GLN 84 HA GLN 84 6.741 -14.229 -4.058 3 HB2 GLN 84 HB2 GLN 84 5.100 -15.640 -2.982 4 HB3 GLN 84 HB3 GLN 84 6.626 -16.503 -2.968 5 HG2 GLN 84 HG2 GLN 84 5.679 -14.921 -0.603 6 HG3 GLN 84 HG3 GLN 84 5.160 -16.579 -0.884 7 HE21 GLN 84 HE21 GLN 84 7.711 -17.386 -2.014 8 HE22 GLN 84 HE22 GLN 84 8.812 -17.506 -0.686 No H/Q in entry = 8 In of MODEL 3 1 HA PRO 85 HA PRO 85 5.912 -10.415 -1.806 2 HB2 PRO 85 HB2 PRO 85 3.699 -9.641 -3.252 3 HB3 PRO 85 HB3 PRO 85 5.377 -9.252 -3.670 4 HG2 PRO 85 HG2 PRO 85 3.571 -11.338 -4.796 5 HG3 PRO 85 HG3 PRO 85 4.848 -10.393 -5.597 6 HD2 PRO 85 HD2 PRO 85 5.181 -13.036 -4.869 7 HD3 PRO 85 HD3 PRO 85 6.536 -11.865 -4.940 No H/Q in entry = 7 In of MODEL 3 1 H LYS 86 H LYS 86 4.343 -9.551 -0.458 2 HA LYS 86 HA LYS 86 2.352 -11.547 0.391 3 HB2 LYS 86 HB2 LYS 86 3.558 -9.332 2.067 4 HB3 LYS 86 HB3 LYS 86 2.485 -10.604 2.626 5 HG2 LYS 86 HG2 LYS 86 5.350 -10.834 1.738 6 HG3 LYS 86 HG3 LYS 86 4.671 -11.193 3.329 7 HD2 LYS 86 HD2 LYS 86 3.240 -12.878 1.716 8 HD3 LYS 86 HD3 LYS 86 4.805 -12.845 0.905 9 HE2 LYS 86 HE2 LYS 86 5.916 -13.507 2.975 10 HE3 LYS 86 HE3 LYS 86 4.372 -13.477 3.828 11 HZ1 LYS 86 HZ1 LYS 86 3.590 -15.223 2.299 12 HZ2 LYS 86 HZ2 LYS 86 5.138 -15.298 1.617 13 HZ3 LYS 86 HZ3 LYS 86 4.914 -15.722 3.238 No H/Q in entry = 13 In of MODEL 3 1 H ILE 87 H ILE 87 0.323 -10.875 0.998 2 HA ILE 87 HA ILE 87 -0.397 -8.128 0.193 3 HB ILE 87 HB ILE 87 -1.785 -10.641 -0.402 4 HG12 ILE 87 HG12 ILE 87 -1.202 -9.375 -2.262 5 HG13 ILE 87 HG13 ILE 87 -2.906 -8.965 -2.067 6 HG21 ILE 87 HG21 ILE 87 -3.336 -8.350 0.766 7 HG22 ILE 87 HG22 ILE 87 -4.059 -9.552 -0.306 8 HG23 ILE 87 HG23 ILE 87 -3.370 -10.050 1.245 9 HD11 ILE 87 HD11 ILE 87 -2.280 -6.918 -0.913 10 HD12 ILE 87 HD12 ILE 87 -0.579 -7.304 -1.155 11 HD13 ILE 87 HD13 ILE 87 -1.619 -6.992 -2.541 No H/Q in entry = 11 In of MODEL 3 1 H VAL 88 H VAL 88 -1.152 -6.810 1.641 2 HA VAL 88 HA VAL 88 -2.133 -7.905 4.189 3 HB VAL 88 HB VAL 88 -0.080 -6.574 4.486 4 HG11 VAL 88 HG11 VAL 88 -1.638 -4.325 3.263 5 HG12 VAL 88 HG12 VAL 88 -0.093 -4.152 4.094 6 HG13 VAL 88 HG13 VAL 88 -0.194 -5.093 2.601 7 HG21 VAL 88 HG21 VAL 88 -2.591 -5.293 5.533 8 HG22 VAL 88 HG22 VAL 88 -1.654 -6.577 6.297 9 HG23 VAL 88 HG23 VAL 88 -0.972 -4.955 6.148 No H/Q in entry = 9 In of MODEL 3 1 H LYS 89 H LYS 89 -4.271 -7.543 4.505 2 HA LYS 89 HA LYS 89 -5.521 -5.662 2.637 3 HB2 LYS 89 HB2 LYS 89 -6.795 -7.973 4.083 4 HB3 LYS 89 HB3 LYS 89 -7.545 -6.960 2.859 5 HG2 LYS 89 HG2 LYS 89 -6.374 -7.932 1.142 6 HG3 LYS 89 HG3 LYS 89 -5.056 -8.433 2.201 7 HD2 LYS 89 HD2 LYS 89 -7.827 -9.593 2.333 8 HD3 LYS 89 HD3 LYS 89 -6.510 -10.310 1.399 9 HE2 LYS 89 HE2 LYS 89 -5.181 -10.489 3.482 10 HE3 LYS 89 HE3 LYS 89 -6.552 -9.848 4.385 11 HZ1 LYS 89 HZ1 LYS 89 -6.691 -12.325 2.756 12 HZ2 LYS 89 HZ2 LYS 89 -6.316 -12.311 4.409 13 HZ3 LYS 89 HZ3 LYS 89 -7.831 -11.762 3.880 No H/Q in entry = 13 In of MODEL 3 1 H TRP 90 H TRP 90 -7.081 -4.241 3.385 2 HA TRP 90 HA TRP 90 -6.661 -3.454 6.122 3 HB2 TRP 90 HB2 TRP 90 -6.784 -1.699 4.411 4 HB3 TRP 90 HB3 TRP 90 -8.403 -2.237 3.975 5 HD1 TRP 90 HD1 TRP 90 -6.958 -1.317 7.492 6 HE1 TRP 90 HE1 TRP 90 -8.488 0.397 8.548 7 HE3 TRP 90 HE3 TRP 90 -10.262 -0.715 3.593 8 HZ2 TRP 90 HZ2 TRP 90 -10.878 1.791 7.883 9 HZ3 TRP 90 HZ3 TRP 90 -12.136 0.832 3.886 10 HH2 TRP 90 HH2 TRP 90 -12.442 2.088 5.958 No H/Q in entry = 10 In of MODEL 3 1 H ASP 91 H ASP 91 -7.855 -3.941 7.783 2 HA ASP 91 HA ASP 91 -9.873 -5.911 7.662 3 HB2 ASP 91 HB2 ASP 91 -10.203 -5.234 10.127 4 HB3 ASP 91 HB3 ASP 91 -8.605 -5.823 9.677 No H/Q in entry = 4 In of MODEL 3 1 H ARG 92 H ARG 92 -11.720 -5.465 6.584 2 HA ARG 92 HA ARG 92 -13.638 -3.810 7.827 3 HB2 ARG 92 HB2 ARG 92 -13.730 -1.898 6.518 4 HB3 ARG 92 HB3 ARG 92 -12.006 -2.236 6.445 5 HG2 ARG 92 HG2 ARG 92 -12.469 -1.798 4.230 6 HG3 ARG 92 HG3 ARG 92 -12.580 -3.561 4.264 7 HD2 ARG 92 HD2 ARG 92 -15.061 -3.305 4.561 8 HD3 ARG 92 HD3 ARG 92 -14.865 -1.568 4.268 9 HE ARG 92 HE ARG 92 -13.685 -2.768 2.125 10 HH11 ARG 92 HH11 ARG 92 -16.829 -2.898 3.643 11 HH12 ARG 92 HH12 ARG 92 -17.658 -3.351 2.183 12 HH21 ARG 92 HH21 ARG 92 -14.773 -3.373 0.195 13 HH22 ARG 92 HH22 ARG 92 -16.498 -3.586 0.228 No H/Q in entry = 13 In of MODEL 3 1 H ASP 93 H ASP 93 -12.712 -6.173 5.707 2 HA ASP 93 HA ASP 93 -15.323 -6.953 4.911 3 HB2 ASP 93 HB2 ASP 93 -14.905 -4.998 3.392 4 HB3 ASP 93 HB3 ASP 93 -13.566 -5.908 2.696 No H/Q in entry = 4 In of MODEL 3 1 HA MET 94 HA MET 94 -11.528 -9.498 3.398 2 HB2 MET 94 HB2 MET 94 -9.815 -10.309 5.244 3 HB3 MET 94 HB3 MET 94 -9.574 -8.817 4.338 4 HG2 MET 94 HG2 MET 94 -9.180 -8.749 6.866 5 HG3 MET 94 HG3 MET 94 -10.165 -7.454 6.177 6 HE1 MET 94 HE1 MET 94 -10.709 -7.081 8.877 7 HE2 MET 94 HE2 MET 94 -11.514 -8.305 9.859 8 HE3 MET 94 HE3 MET 94 -9.859 -8.564 9.311 No H/Q in entry = 8 In of MODEL 4 1 HA MET 1 HA MET 1 4.357 -8.086 5.982 2 HB2 MET 1 HB2 MET 1 4.329 -9.372 8.082 3 HB3 MET 1 HB3 MET 1 4.321 -7.876 9.005 4 HG2 MET 1 HG2 MET 1 2.103 -8.898 8.871 5 HG3 MET 1 HG3 MET 1 2.148 -7.301 8.125 6 HE1 MET 1 HE1 MET 1 -0.190 -7.844 6.970 7 HE2 MET 1 HE2 MET 1 -0.475 -9.255 5.950 8 HE3 MET 1 HE3 MET 1 -0.198 -9.457 7.680 No H/Q in entry = 8 In of MODEL 4 1 H ILE 2 H ILE 2 2.843 -6.537 5.513 2 HA ILE 2 HA ILE 2 3.581 -3.799 6.223 3 HB ILE 2 HB ILE 2 1.362 -4.589 4.329 4 HG12 ILE 2 HG12 ILE 2 3.287 -4.025 2.568 5 HG13 ILE 2 HG13 ILE 2 4.296 -4.725 3.826 6 HG21 ILE 2 HG21 ILE 2 1.643 -2.213 5.118 7 HG22 ILE 2 HG22 ILE 2 3.140 -2.174 4.185 8 HG23 ILE 2 HG23 ILE 2 1.602 -2.459 3.376 9 HD11 ILE 2 HD11 ILE 2 2.906 -6.762 3.778 10 HD12 ILE 2 HD12 ILE 2 1.975 -6.073 2.449 11 HD13 ILE 2 HD13 ILE 2 3.692 -6.432 2.234 No H/Q in entry = 11 In of MODEL 4 1 H GLN 3 H GLN 3 2.128 -2.376 7.239 2 HA GLN 3 HA GLN 3 -0.373 -3.598 8.219 3 HB2 GLN 3 HB2 GLN 3 1.358 -1.495 9.567 4 HB3 GLN 3 HB3 GLN 3 -0.193 -2.075 10.172 5 HG2 GLN 3 HG2 GLN 3 1.539 -3.152 11.415 6 HG3 GLN 3 HG3 GLN 3 0.790 -4.379 10.379 7 HE21 GLN 3 HE21 GLN 3 2.575 -5.711 10.419 8 HE22 GLN 3 HE22 GLN 3 4.065 -5.309 9.633 No H/Q in entry = 8 In of MODEL 4 1 H VAL 4 H VAL 4 -1.962 -2.798 6.955 2 HA VAL 4 HA VAL 4 -1.705 -0.111 5.861 3 HB VAL 4 HB VAL 4 -3.898 -0.751 4.642 4 HG11 VAL 4 HG11 VAL 4 -1.721 -0.667 3.547 5 HG12 VAL 4 HG12 VAL 4 -1.366 -2.303 4.101 6 HG13 VAL 4 HG13 VAL 4 -2.675 -2.027 2.952 7 HG21 VAL 4 HG21 VAL 4 -4.464 -2.624 6.129 8 HG22 VAL 4 HG22 VAL 4 -4.345 -3.125 4.442 9 HG23 VAL 4 HG23 VAL 4 -3.037 -3.491 5.566 No H/Q in entry = 9 In of MODEL 4 1 H TYR 5 H TYR 5 -3.335 1.425 5.937 2 HA TYR 5 HA TYR 5 -5.385 1.270 7.990 3 HB2 TYR 5 HB2 TYR 5 -3.067 3.216 8.132 4 HB3 TYR 5 HB3 TYR 5 -4.576 3.451 9.002 5 HD1 TYR 5 HD1 TYR 5 -1.411 2.832 9.691 6 HD2 TYR 5 HD2 TYR 5 -5.120 0.776 10.117 7 HE1 TYR 5 HE1 TYR 5 -0.476 1.547 11.567 8 HE2 TYR 5 HE2 TYR 5 -4.184 -0.527 11.995 9 HH TYR 5 HH TYR 5 -1.946 -1.232 12.804 No H/Q in entry = 9 In of MODEL 4 1 H SER 6 H SER 6 -6.349 3.686 8.075 2 HA SER 6 HA SER 6 -6.051 4.986 5.457 3 HB2 SER 6 HB2 SER 6 -8.679 4.450 6.879 4 HB3 SER 6 HB3 SER 6 -8.483 5.429 5.417 5 HG SER 6 HG SER 6 -7.372 2.909 5.273 No H/Q in entry = 5 In of MODEL 4 1 H ARG 7 H ARG 7 -6.749 7.250 5.482 2 HA ARG 7 HA ARG 7 -5.977 8.515 7.977 3 HB2 ARG 7 HB2 ARG 7 -5.742 9.197 5.259 4 HB3 ARG 7 HB3 ARG 7 -6.853 10.376 5.943 5 HG2 ARG 7 HG2 ARG 7 -3.984 9.853 6.614 6 HG3 ARG 7 HG3 ARG 7 -4.778 11.373 6.202 7 HD2 ARG 7 HD2 ARG 7 -4.557 11.687 8.447 8 HD3 ARG 7 HD3 ARG 7 -6.103 10.835 8.443 9 HE ARG 7 HE ARG 7 -3.729 9.174 8.699 10 HH11 ARG 7 HH11 ARG 7 -6.343 10.839 10.341 11 HH12 ARG 7 HH12 ARG 7 -6.193 9.890 11.796 12 HH21 ARG 7 HH21 ARG 7 -3.527 7.944 10.601 13 HH22 ARG 7 HH22 ARG 7 -4.599 8.243 11.935 No H/Q in entry = 13 In of MODEL 4 1 H HIS 8 H HIS 8 -8.852 7.635 6.424 2 HA HIS 8 HA HIS 8 -10.424 9.425 8.143 3 HB2 HIS 8 HB2 HIS 8 -11.216 8.694 5.319 4 HB3 HIS 8 HB3 HIS 8 -11.954 9.901 6.364 5 HD2 HIS 8 HD2 HIS 8 -10.121 12.155 6.881 6 HE1 HIS 8 HE1 HIS 8 -8.275 11.574 3.117 7 HE2 HIS 8 HE2 HIS 8 -8.735 13.242 4.970 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 9 HA PRO 9 -12.764 5.787 9.209 2 HB2 PRO 9 HB2 PRO 9 -15.261 7.316 9.102 3 HB3 PRO 9 HB3 PRO 9 -14.448 6.594 10.501 4 HG2 PRO 9 HG2 PRO 9 -14.562 9.281 10.109 5 HG3 PRO 9 HG3 PRO 9 -13.170 8.494 10.883 6 HD2 PRO 9 HD2 PRO 9 -13.481 9.468 8.064 7 HD3 PRO 9 HD3 PRO 9 -12.079 9.622 9.151 No H/Q in entry = 7 In of MODEL 4 1 H ALA 10 H ALA 10 -13.605 4.139 8.043 2 HA ALA 10 HA ALA 10 -14.010 4.282 5.295 3 HB1 ALA 10 HB1 ALA 10 -14.862 1.991 5.465 4 HB2 ALA 10 HB2 ALA 10 -13.438 2.215 6.479 5 HB3 ALA 10 HB3 ALA 10 -15.041 2.185 7.209 No H/Q in entry = 5 In of MODEL 4 1 H GLU 11 H GLU 11 -15.594 5.651 4.447 2 HA GLU 11 HA GLU 11 -18.347 4.933 5.254 3 HB2 GLU 11 HB2 GLU 11 -17.129 7.500 4.424 4 HB3 GLU 11 HB3 GLU 11 -18.740 7.171 3.805 5 HG2 GLU 11 HG2 GLU 11 -17.933 7.175 6.693 6 HG3 GLU 11 HG3 GLU 11 -18.796 8.459 5.854 No H/Q in entry = 6 In of MODEL 4 1 H ASN 12 H ASN 12 -19.403 3.675 3.835 2 HA ASN 12 HA ASN 12 -18.452 3.031 1.274 3 HB2 ASN 12 HB2 ASN 12 -19.903 1.465 2.308 4 HB3 ASN 12 HB3 ASN 12 -21.153 2.664 2.629 5 HD21 ASN 12 HD21 ASN 12 -22.761 1.542 1.614 6 HD22 ASN 12 HD22 ASN 12 -22.814 1.290 -0.101 No H/Q in entry = 6 In of MODEL 4 1 H GLY 13 H GLY 13 -18.284 4.323 -0.387 2 HA2 GLY 13 HA2 GLY 13 -20.470 6.248 -0.965 3 HA3 GLY 13 HA3 GLY 13 -19.510 5.444 -2.187 No H/Q in entry = 3 In of MODEL 4 1 H LYS 14 H LYS 14 -17.589 6.511 0.445 2 HA LYS 14 HA LYS 14 -17.123 9.118 -0.850 3 HB2 LYS 14 HB2 LYS 14 -15.649 8.130 1.579 4 HB3 LYS 14 HB3 LYS 14 -15.919 9.783 1.066 5 HG2 LYS 14 HG2 LYS 14 -17.963 7.914 2.232 6 HG3 LYS 14 HG3 LYS 14 -17.167 9.252 3.047 7 HD2 LYS 14 HD2 LYS 14 -19.024 9.487 0.691 8 HD3 LYS 14 HD3 LYS 14 -19.441 9.809 2.383 9 HE2 LYS 14 HE2 LYS 14 -17.436 11.309 0.685 10 HE3 LYS 14 HE3 LYS 14 -19.008 11.893 1.220 11 HZ1 LYS 14 HZ1 LYS 14 -18.115 11.551 3.557 12 HZ2 LYS 14 HZ2 LYS 14 -16.577 11.426 2.843 13 HZ3 LYS 14 HZ3 LYS 14 -17.482 12.850 2.675 No H/Q in entry = 13 In of MODEL 4 1 H SER 15 H SER 15 -15.128 9.772 -1.583 2 HA SER 15 HA SER 15 -13.146 7.661 -1.929 3 HB2 SER 15 HB2 SER 15 -12.033 9.561 -3.368 4 HB3 SER 15 HB3 SER 15 -13.355 8.593 -4.023 5 HG SER 15 HG SER 15 -13.340 11.258 -3.105 No H/Q in entry = 5 In of MODEL 4 1 H ASN 16 H ASN 16 -11.055 7.915 -1.262 2 HA ASN 16 HA ASN 16 -10.249 10.028 0.518 3 HB2 ASN 16 HB2 ASN 16 -10.598 7.251 1.679 4 HB3 ASN 16 HB3 ASN 16 -10.020 8.676 2.518 5 HD21 ASN 16 HD21 ASN 16 -11.447 9.920 3.560 6 HD22 ASN 16 HD22 ASN 16 -13.167 9.656 3.559 No H/Q in entry = 6 In of MODEL 4 1 H PHE 17 H PHE 17 -8.224 8.388 1.835 2 HA PHE 17 HA PHE 17 -6.702 7.548 -0.546 3 HB2 PHE 17 HB2 PHE 17 -5.775 9.187 1.820 4 HB3 PHE 17 HB3 PHE 17 -4.671 8.447 0.669 5 HD1 PHE 17 HD1 PHE 17 -6.224 8.923 -1.840 6 HD2 PHE 17 HD2 PHE 17 -5.365 11.475 1.458 7 HE1 PHE 17 HE1 PHE 17 -6.412 10.884 -3.314 8 HE2 PHE 17 HE2 PHE 17 -5.561 13.438 -0.009 9 HZ PHE 17 HZ PHE 17 -6.084 13.146 -2.397 No H/Q in entry = 9 In of MODEL 4 1 H LEU 18 H LEU 18 -5.847 5.527 -0.438 2 HA LEU 18 HA LEU 18 -6.053 4.076 2.086 3 HB2 LEU 18 HB2 LEU 18 -6.756 2.787 0.215 4 HB3 LEU 18 HB3 LEU 18 -5.331 3.214 -0.709 5 HG LEU 18 HG LEU 18 -3.929 1.762 0.689 6 HD11 LEU 18 HD11 LEU 18 -6.467 1.142 2.209 7 HD12 LEU 18 HD12 LEU 18 -4.937 0.289 2.376 8 HD13 LEU 18 HD13 LEU 18 -5.050 1.986 2.835 9 HD21 LEU 18 HD21 LEU 18 -6.450 0.436 -0.307 10 HD22 LEU 18 HD22 LEU 18 -4.973 0.733 -1.223 11 HD23 LEU 18 HD23 LEU 18 -4.964 -0.409 0.118 No H/Q in entry = 11 In of MODEL 4 1 H ASN 19 H ASN 19 -4.476 3.833 3.447 2 HA ASN 19 HA ASN 19 -1.808 4.808 2.648 3 HB2 ASN 19 HB2 ASN 19 -2.268 6.258 4.362 4 HB3 ASN 19 HB3 ASN 19 -3.422 5.164 5.128 5 HD21 ASN 19 HD21 ASN 19 -0.187 6.282 5.002 6 HD22 ASN 19 HD22 ASN 19 0.404 5.383 6.353 No H/Q in entry = 6 In of MODEL 4 1 H CYS 20 H CYS 20 -0.308 3.293 2.341 2 HA CYS 20 HA CYS 20 -0.433 0.852 3.991 3 HB2 CYS 20 HB2 CYS 20 -0.673 0.197 1.731 4 HB3 CYS 20 HB3 CYS 20 0.489 1.394 1.150 No H/Q in entry = 4 In of MODEL 4 1 H TYR 21 H TYR 21 1.074 0.945 5.597 2 HA TYR 21 HA TYR 21 3.488 2.555 5.217 3 HB2 TYR 21 HB2 TYR 21 2.365 1.186 7.675 4 HB3 TYR 21 HB3 TYR 21 3.958 1.901 7.636 5 HD1 TYR 21 HD1 TYR 21 4.101 4.428 7.163 6 HD2 TYR 21 HD2 TYR 21 0.511 2.449 8.298 7 HE1 TYR 21 HE1 TYR 21 3.178 6.573 7.954 8 HE2 TYR 21 HE2 TYR 21 -0.427 4.587 9.078 9 HH TYR 21 HH TYR 21 1.042 7.611 8.373 No H/Q in entry = 9 In of MODEL 4 1 H VAL 22 H VAL 22 5.027 1.453 4.102 2 HA VAL 22 HA VAL 22 5.589 -1.286 4.923 3 HB VAL 22 HB VAL 22 6.902 0.417 2.771 4 HG11 VAL 22 HG11 VAL 22 8.296 -1.455 3.633 5 HG12 VAL 22 HG12 VAL 22 7.024 -2.576 3.141 6 HG13 VAL 22 HG13 VAL 22 7.874 -1.616 1.922 7 HG21 VAL 22 HG21 VAL 22 4.688 -1.624 2.589 8 HG22 VAL 22 HG22 VAL 22 4.610 0.090 2.174 9 HG23 VAL 22 HG23 VAL 22 5.586 -1.007 1.196 No H/Q in entry = 9 In of MODEL 4 1 H SER 23 H SER 23 7.168 -1.698 6.316 2 HA SER 23 HA SER 23 8.647 0.320 7.597 3 HB2 SER 23 HB2 SER 23 9.966 -1.811 8.440 4 HB3 SER 23 HB3 SER 23 8.302 -1.484 8.941 5 HG SER 23 HG SER 23 7.771 -3.297 8.050 No H/Q in entry = 5 In of MODEL 4 1 H GLY 24 H GLY 24 11.475 -0.963 7.483 2 HA2 GLY 24 HA2 GLY 24 13.276 0.145 6.617 3 HA3 GLY 24 HA3 GLY 24 12.189 1.360 5.961 No H/Q in entry = 3 In of MODEL 4 1 H PHE 25 H PHE 25 14.409 -0.910 5.190 2 HA PHE 25 HA PHE 25 14.947 -2.189 3.305 3 HB2 PHE 25 HB2 PHE 25 12.228 -1.416 2.193 4 HB3 PHE 25 HB3 PHE 25 13.342 -2.571 1.497 5 HD1 PHE 25 HD1 PHE 25 13.454 -4.854 2.315 6 HD2 PHE 25 HD2 PHE 25 10.877 -2.015 4.182 7 HE1 PHE 25 HE1 PHE 25 12.230 -6.694 3.430 8 HE2 PHE 25 HE2 PHE 25 9.661 -3.849 5.307 9 HZ PHE 25 HZ PHE 25 10.321 -6.177 4.902 No H/Q in entry = 9 In of MODEL 4 1 H HIS 26 H HIS 26 15.947 -1.446 1.292 2 HA HIS 26 HA HIS 26 15.923 1.454 1.157 3 HB2 HIS 26 HB2 HIS 26 17.573 -0.461 -0.509 4 HB3 HIS 26 HB3 HIS 26 17.807 1.275 -0.336 5 HD2 HIS 26 HD2 HIS 26 19.020 2.124 2.053 6 HE1 HIS 26 HE1 HIS 26 20.036 -1.789 3.289 7 HE2 HIS 26 HE2 HIS 26 20.552 0.678 3.560 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 27 HA PRO 27 12.233 1.492 -1.157 2 HB2 PRO 27 HB2 PRO 27 13.633 3.899 -2.275 3 HB3 PRO 27 HB3 PRO 27 11.933 3.715 -1.808 4 HG2 PRO 27 HG2 PRO 27 13.645 4.859 -0.140 5 HG3 PRO 27 HG3 PRO 27 12.416 3.721 0.479 6 HD2 PRO 27 HD2 PRO 27 15.362 3.372 0.145 7 HD3 PRO 27 HD3 PRO 27 14.250 2.588 1.290 No H/Q in entry = 7 In of MODEL 4 1 H SER 28 H SER 28 15.178 2.084 -3.094 2 HA SER 28 HA SER 28 13.802 1.878 -5.560 3 HB2 SER 28 HB2 SER 28 15.864 3.168 -5.324 4 HB3 SER 28 HB3 SER 28 16.766 1.692 -4.979 5 HG SER 28 HG SER 28 16.144 2.773 -7.348 No H/Q in entry = 5 In of MODEL 4 1 H ASP 29 H ASP 29 15.186 -0.570 -3.474 2 HA ASP 29 HA ASP 29 15.058 -2.504 -5.686 3 HB2 ASP 29 HB2 ASP 29 16.530 -2.575 -3.057 4 HB3 ASP 29 HB3 ASP 29 16.223 -4.047 -3.969 No H/Q in entry = 4 In of MODEL 4 1 H ILE 30 H ILE 30 12.756 -1.444 -3.909 2 HA ILE 30 HA ILE 30 11.746 -4.159 -3.334 3 HB ILE 30 HB ILE 30 10.824 -3.582 -1.349 4 HG12 ILE 30 HG12 ILE 30 10.414 -0.721 -2.288 5 HG13 ILE 30 HG13 ILE 30 9.209 -2.004 -2.312 6 HG21 ILE 30 HG21 ILE 30 12.930 -1.461 -1.623 7 HG22 ILE 30 HG22 ILE 30 12.127 -1.858 -0.104 8 HG23 ILE 30 HG23 ILE 30 13.094 -3.073 -0.934 9 HD11 ILE 30 HD11 ILE 30 10.502 -0.927 0.186 10 HD12 ILE 30 HD12 ILE 30 8.929 -0.431 -0.435 11 HD13 ILE 30 HD13 ILE 30 9.177 -2.092 0.102 No H/Q in entry = 11 In of MODEL 4 1 H GLU 31 H GLU 31 9.416 -4.411 -3.510 2 HA GLU 31 HA GLU 31 8.180 -2.541 -5.420 3 HB2 GLU 31 HB2 GLU 31 8.171 -5.550 -5.387 4 HB3 GLU 31 HB3 GLU 31 6.878 -4.652 -6.167 5 HG2 GLU 31 HG2 GLU 31 8.398 -3.654 -7.724 6 HG3 GLU 31 HG3 GLU 31 9.796 -4.302 -6.867 No H/Q in entry = 6 In of MODEL 4 1 H VAL 32 H VAL 32 6.500 -1.542 -4.507 2 HA VAL 32 HA VAL 32 4.692 -3.121 -2.838 3 HB VAL 32 HB VAL 32 5.393 -1.923 -1.045 4 HG11 VAL 32 HG11 VAL 32 7.304 -1.006 -2.287 5 HG12 VAL 32 HG12 VAL 32 6.289 0.323 -2.847 6 HG13 VAL 32 HG13 VAL 32 6.646 0.143 -1.127 7 HG21 VAL 32 HG21 VAL 32 3.131 -1.033 -1.462 8 HG22 VAL 32 HG22 VAL 32 4.168 0.128 -0.636 9 HG23 VAL 32 HG23 VAL 32 3.835 0.312 -2.358 No H/Q in entry = 9 In of MODEL 4 1 H ASP 33 H ASP 33 2.606 -2.937 -3.381 2 HA ASP 33 HA ASP 33 1.766 -0.708 -5.118 3 HB2 ASP 33 HB2 ASP 33 1.124 -3.656 -5.629 4 HB3 ASP 33 HB3 ASP 33 0.432 -2.302 -6.525 No H/Q in entry = 4 In of MODEL 4 1 H LEU 34 H LEU 34 -0.565 -0.438 -5.130 2 HA LEU 34 HA LEU 34 -1.832 -1.446 -2.670 3 HB2 LEU 34 HB2 LEU 34 -2.198 1.078 -4.230 4 HB3 LEU 34 HB3 LEU 34 -3.571 0.440 -3.349 5 HG LEU 34 HG LEU 34 -2.172 0.491 -1.259 6 HD11 LEU 34 HD11 LEU 34 0.042 0.530 -2.313 7 HD12 LEU 34 HD12 LEU 34 -0.292 2.146 -2.941 8 HD13 LEU 34 HD13 LEU 34 -0.190 1.876 -1.199 9 HD21 LEU 34 HD21 LEU 34 -3.819 2.209 -1.748 10 HD22 LEU 34 HD22 LEU 34 -2.422 2.877 -0.905 11 HD23 LEU 34 HD23 LEU 34 -2.606 3.124 -2.642 No H/Q in entry = 11 In of MODEL 4 1 H LEU 35 H LEU 35 -3.509 -2.842 -2.832 2 HA LEU 35 HA LEU 35 -4.388 -3.526 -5.566 3 HB2 LEU 35 HB2 LEU 35 -3.985 -5.415 -3.250 4 HB3 LEU 35 HB3 LEU 35 -4.491 -5.843 -4.866 5 HG LEU 35 HG LEU 35 -1.775 -5.063 -3.879 6 HD11 LEU 35 HD11 LEU 35 -2.933 -7.314 -5.519 7 HD12 LEU 35 HD12 LEU 35 -1.213 -7.088 -5.235 8 HD13 LEU 35 HD13 LEU 35 -2.295 -7.400 -3.878 9 HD21 LEU 35 HD21 LEU 35 -2.166 -3.639 -5.844 10 HD22 LEU 35 HD22 LEU 35 -0.980 -4.900 -6.170 11 HD23 LEU 35 HD23 LEU 35 -2.621 -5.061 -6.779 No H/Q in entry = 11 In of MODEL 4 1 H LYS 36 H LYS 36 -6.342 -4.819 -5.695 2 HA LYS 36 HA LYS 36 -8.220 -4.629 -3.432 3 HB2 LYS 36 HB2 LYS 36 -9.257 -5.054 -6.192 4 HB3 LYS 36 HB3 LYS 36 -10.001 -4.168 -4.850 5 HG2 LYS 36 HG2 LYS 36 -8.515 -2.295 -5.284 6 HG3 LYS 36 HG3 LYS 36 -7.686 -3.187 -6.550 7 HD2 LYS 36 HD2 LYS 36 -9.297 -1.527 -7.446 8 HD3 LYS 36 HD3 LYS 36 -9.659 -3.183 -7.955 9 HE2 LYS 36 HE2 LYS 36 -11.672 -1.792 -7.288 10 HE3 LYS 36 HE3 LYS 36 -11.517 -3.304 -6.396 11 HZ1 LYS 36 HZ1 LYS 36 -10.491 -2.011 -4.581 12 HZ2 LYS 36 HZ2 LYS 36 -10.769 -0.583 -5.455 13 HZ3 LYS 36 HZ3 LYS 36 -12.073 -1.521 -4.917 No H/Q in entry = 13 In of MODEL 4 1 H ASN 37 H ASN 37 -8.272 -6.736 -2.599 2 HA ASN 37 HA ASN 37 -7.884 -9.012 -2.589 3 HB2 ASN 37 HB2 ASN 37 -9.636 -10.179 -4.131 4 HB3 ASN 37 HB3 ASN 37 -10.202 -9.159 -2.819 5 HD21 ASN 37 HD21 ASN 37 -10.793 -6.988 -3.349 6 HD22 ASN 37 HD22 ASN 37 -11.481 -6.616 -4.898 No H/Q in entry = 6 In of MODEL 4 1 H GLY 38 H GLY 38 -5.795 -8.127 -3.829 2 HA2 GLY 38 HA2 GLY 38 -5.111 -10.215 -5.633 3 HA3 GLY 38 HA3 GLY 38 -4.066 -8.897 -5.160 No H/Q in entry = 3 In of MODEL 4 1 H GLU 39 H GLU 39 -6.067 -6.887 -6.185 2 HA GLU 39 HA GLU 39 -5.456 -7.244 -9.042 3 HB2 GLU 39 HB2 GLU 39 -7.882 -7.628 -8.563 4 HB3 GLU 39 HB3 GLU 39 -7.982 -5.988 -7.932 5 HG2 GLU 39 HG2 GLU 39 -8.841 -6.060 -10.192 6 HG3 GLU 39 HG3 GLU 39 -7.344 -5.120 -10.144 No H/Q in entry = 6 In of MODEL 4 1 H ARG 40 H ARG 40 -4.097 -5.716 -9.669 2 HA ARG 40 HA ARG 40 -3.243 -3.607 -8.045 3 HB2 ARG 40 HB2 ARG 40 -2.381 -4.760 -10.430 4 HB3 ARG 40 HB3 ARG 40 -2.811 -3.130 -10.918 5 HG2 ARG 40 HG2 ARG 40 -1.311 -2.242 -9.162 6 HG3 ARG 40 HG3 ARG 40 -0.839 -3.894 -8.766 7 HD2 ARG 40 HD2 ARG 40 0.882 -3.118 -10.148 8 HD3 ARG 40 HD3 ARG 40 -0.116 -4.074 -11.244 9 HE ARG 40 HE ARG 40 -0.996 -1.996 -12.124 10 HH11 ARG 40 HH11 ARG 40 1.794 -1.653 -10.005 11 HH12 ARG 40 HH12 ARG 40 2.327 -0.181 -10.755 12 HH21 ARG 40 HH21 ARG 40 -0.288 -0.094 -13.099 13 HH22 ARG 40 HH22 ARG 40 1.170 0.696 -12.539 No H/Q in entry = 13 In of MODEL 4 1 H ILE 41 H ILE 41 -4.212 -1.844 -7.486 2 HA ILE 41 HA ILE 41 -6.585 -0.840 -8.587 3 HB ILE 41 HB ILE 41 -4.568 0.538 -6.810 4 HG12 ILE 41 HG12 ILE 41 -7.092 -0.989 -6.134 5 HG13 ILE 41 HG13 ILE 41 -5.449 -1.584 -5.905 6 HG21 ILE 41 HG21 ILE 41 -7.452 1.233 -7.381 7 HG22 ILE 41 HG22 ILE 41 -6.450 1.987 -6.140 8 HG23 ILE 41 HG23 ILE 41 -6.037 2.173 -7.842 9 HD11 ILE 41 HD11 ILE 41 -6.373 0.927 -4.572 10 HD12 ILE 41 HD12 ILE 41 -6.691 -0.674 -3.888 11 HD13 ILE 41 HD13 ILE 41 -5.028 -0.145 -4.158 No H/Q in entry = 11 In of MODEL 4 1 H GLU 42 H GLU 42 -3.629 1.122 -8.402 2 HA GLU 42 HA GLU 42 -2.154 1.201 -10.367 3 HB2 GLU 42 HB2 GLU 42 -4.732 1.768 -11.838 4 HB3 GLU 42 HB3 GLU 42 -3.131 2.015 -12.517 5 HG2 GLU 42 HG2 GLU 42 -3.274 -0.633 -11.503 6 HG3 GLU 42 HG3 GLU 42 -4.695 -0.334 -12.495 No H/Q in entry = 6 In of MODEL 4 1 H LYS 43 H LYS 43 -4.694 3.309 -9.118 2 HA LYS 43 HA LYS 43 -3.444 5.690 -10.172 3 HB2 LYS 43 HB2 LYS 43 -5.548 5.593 -8.019 4 HB3 LYS 43 HB3 LYS 43 -5.222 6.883 -9.163 5 HG2 LYS 43 HG2 LYS 43 -6.578 4.238 -9.721 6 HG3 LYS 43 HG3 LYS 43 -7.276 5.855 -9.800 7 HD2 LYS 43 HD2 LYS 43 -5.049 4.882 -11.590 8 HD3 LYS 43 HD3 LYS 43 -6.759 4.859 -12.021 9 HE2 LYS 43 HE2 LYS 43 -5.232 7.346 -11.259 10 HE3 LYS 43 HE3 LYS 43 -5.527 6.829 -12.919 11 HZ1 LYS 43 HZ1 LYS 43 -7.939 6.915 -12.397 12 HZ2 LYS 43 HZ2 LYS 43 -7.564 7.612 -10.902 13 HZ3 LYS 43 HZ3 LYS 43 -7.173 8.427 -12.338 No H/Q in entry = 13 In of MODEL 4 1 H VAL 44 H VAL 44 -1.415 4.605 -8.944 2 HA VAL 44 HA VAL 44 -1.347 5.775 -6.256 3 HB VAL 44 HB VAL 44 -1.174 3.005 -6.804 4 HG11 VAL 44 HG11 VAL 44 1.186 3.273 -7.392 5 HG12 VAL 44 HG12 VAL 44 1.477 4.061 -5.841 6 HG13 VAL 44 HG13 VAL 44 0.985 2.363 -5.891 7 HG21 VAL 44 HG21 VAL 44 -2.105 4.011 -4.819 8 HG22 VAL 44 HG22 VAL 44 -0.861 2.839 -4.388 9 HG23 VAL 44 HG23 VAL 44 -0.507 4.565 -4.324 No H/Q in entry = 9 In of MODEL 4 1 H GLU 45 H GLU 45 0.240 7.163 -5.983 2 HA GLU 45 HA GLU 45 2.634 7.050 -7.646 3 HB2 GLU 45 HB2 GLU 45 0.787 9.456 -7.756 4 HB3 GLU 45 HB3 GLU 45 2.355 9.332 -8.529 5 HG2 GLU 45 HG2 GLU 45 1.537 7.687 -10.081 6 HG3 GLU 45 HG3 GLU 45 0.000 7.576 -9.224 No H/Q in entry = 6 In of MODEL 4 1 H HIS 46 H HIS 46 4.147 7.210 -6.064 2 HA HIS 46 HA HIS 46 4.244 9.735 -4.625 3 HB2 HIS 46 HB2 HIS 46 3.187 7.729 -3.230 4 HB3 HIS 46 HB3 HIS 46 4.867 7.242 -3.072 5 HD2 HIS 46 HD2 HIS 46 6.203 10.142 -2.412 6 HE1 HIS 46 HE1 HIS 46 3.391 10.187 0.740 7 HE2 HIS 46 HE2 HIS 46 5.680 10.972 -0.010 No H/Q in entry = 7 In of MODEL 4 1 H SER 47 H SER 47 6.252 10.516 -4.856 2 HA SER 47 HA SER 47 8.225 8.714 -6.063 3 HB2 SER 47 HB2 SER 47 7.577 10.831 -7.242 4 HB3 SER 47 HB3 SER 47 8.276 11.735 -5.898 5 HG SER 47 HG SER 47 9.939 9.812 -6.973 No H/Q in entry = 5 In of MODEL 4 1 H ASP 48 H ASP 48 9.692 7.885 -4.791 2 HA ASP 48 HA ASP 48 10.994 9.582 -2.813 3 HB2 ASP 48 HB2 ASP 48 10.916 7.798 -1.118 4 HB3 ASP 48 HB3 ASP 48 9.304 8.386 -1.536 No H/Q in entry = 4 In of MODEL 4 1 H LEU 49 H LEU 49 13.048 9.509 -3.134 2 HA LEU 49 HA LEU 49 15.183 8.879 -3.594 3 HB2 LEU 49 HB2 LEU 49 14.074 6.166 -2.832 4 HB3 LEU 49 HB3 LEU 49 15.785 6.571 -2.945 5 HG LEU 49 HG LEU 49 15.027 8.457 -1.167 6 HD11 LEU 49 HD11 LEU 49 13.117 6.185 -0.632 7 HD12 LEU 49 HD12 LEU 49 13.454 7.518 0.468 8 HD13 LEU 49 HD13 LEU 49 12.672 7.833 -1.081 9 HD21 LEU 49 HD21 LEU 49 15.679 5.593 -0.449 10 HD22 LEU 49 HD22 LEU 49 16.828 6.910 -0.716 11 HD23 LEU 49 HD23 LEU 49 15.732 6.957 0.660 No H/Q in entry = 11 In of MODEL 4 1 H SER 50 H SER 50 16.596 7.913 -5.060 2 HA SER 50 HA SER 50 15.283 6.846 -7.467 3 HB2 SER 50 HB2 SER 50 17.997 8.155 -7.165 4 HB3 SER 50 HB3 SER 50 17.266 7.632 -8.684 5 HG SER 50 HG SER 50 15.440 9.109 -7.858 No H/Q in entry = 5 In of MODEL 4 1 H PHE 51 H PHE 51 18.168 6.428 -5.424 2 HA PHE 51 HA PHE 51 18.313 3.643 -6.376 3 HB2 PHE 51 HB2 PHE 51 20.597 5.502 -5.696 4 HB3 PHE 51 HB3 PHE 51 20.779 3.783 -6.038 5 HD1 PHE 51 HD1 PHE 51 20.960 6.975 -7.419 6 HD2 PHE 51 HD2 PHE 51 19.642 3.031 -8.317 7 HE1 PHE 51 HE1 PHE 51 21.110 7.475 -9.824 8 HE2 PHE 51 HE2 PHE 51 19.792 3.523 -10.720 9 HZ PHE 51 HZ PHE 51 20.528 5.746 -11.478 No H/Q in entry = 9 In of MODEL 4 1 H SER 52 H SER 52 19.484 2.195 -4.846 2 HA SER 52 HA SER 52 18.410 2.662 -2.178 3 HB2 SER 52 HB2 SER 52 19.614 0.181 -3.429 4 HB3 SER 52 HB3 SER 52 18.863 0.260 -1.834 5 HG SER 52 HG SER 52 17.650 -0.307 -4.020 No H/Q in entry = 5 In of MODEL 4 1 H LYS 53 H LYS 53 20.200 4.369 -2.099 2 HA LYS 53 HA LYS 53 22.443 3.195 -0.653 3 HB2 LYS 53 HB2 LYS 53 23.144 3.490 -3.048 4 HB3 LYS 53 HB3 LYS 53 22.878 5.217 -2.857 5 HG2 LYS 53 HG2 LYS 53 24.547 5.131 -0.958 6 HG3 LYS 53 HG3 LYS 53 24.933 3.497 -1.503 7 HD2 LYS 53 HD2 LYS 53 26.509 5.028 -2.476 8 HD3 LYS 53 HD3 LYS 53 25.444 4.432 -3.751 9 HE2 LYS 53 HE2 LYS 53 24.127 6.473 -3.628 10 HE3 LYS 53 HE3 LYS 53 25.133 7.060 -2.305 11 HZ1 LYS 53 HZ1 LYS 53 27.035 7.044 -3.831 12 HZ2 LYS 53 HZ2 LYS 53 26.013 6.567 -5.101 13 HZ3 LYS 53 HZ3 LYS 53 25.800 8.075 -4.360 No H/Q in entry = 13 In of MODEL 4 1 H ASP 54 H ASP 54 20.517 5.985 -1.547 2 HA ASP 54 HA ASP 54 21.917 7.740 0.243 3 HB2 ASP 54 HB2 ASP 54 20.276 9.436 -0.395 4 HB3 ASP 54 HB3 ASP 54 20.963 8.641 -1.807 No H/Q in entry = 4 In of MODEL 4 1 H TRP 55 H TRP 55 18.793 6.001 0.361 2 HA TRP 55 HA TRP 55 19.043 5.806 3.170 3 HB2 TRP 55 HB2 TRP 55 17.967 8.232 2.444 4 HB3 TRP 55 HB3 TRP 55 16.539 7.259 2.791 5 HD1 TRP 55 HD1 TRP 55 17.439 9.697 4.680 6 HE1 TRP 55 HE1 TRP 55 18.001 9.252 7.130 7 HE3 TRP 55 HE3 TRP 55 18.406 4.638 4.400 8 HZ2 TRP 55 HZ2 TRP 55 18.723 7.032 8.762 9 HZ3 TRP 55 HZ3 TRP 55 19.016 3.448 6.420 10 HH2 TRP 55 HH2 TRP 55 19.181 4.608 8.586 No H/Q in entry = 10 In of MODEL 4 1 H SER 56 H SER 56 16.482 5.464 4.001 2 HA SER 56 HA SER 56 14.904 3.707 2.483 3 HB2 SER 56 HB2 SER 56 15.644 1.588 3.715 4 HB3 SER 56 HB3 SER 56 16.714 2.172 2.441 5 HG SER 56 HG SER 56 18.143 1.985 3.990 No H/Q in entry = 5 In of MODEL 4 1 H PHE 57 H PHE 57 13.851 5.566 3.954 2 HA PHE 57 HA PHE 57 13.474 4.612 6.693 3 HB2 PHE 57 HB2 PHE 57 12.481 6.951 6.994 4 HB3 PHE 57 HB3 PHE 57 14.215 6.848 6.718 5 HD1 PHE 57 HD1 PHE 57 15.221 7.885 4.863 6 HD2 PHE 57 HD2 PHE 57 10.976 7.650 5.114 7 HE1 PHE 57 HE1 PHE 57 15.024 9.457 2.977 8 HE2 PHE 57 HE2 PHE 57 10.774 9.217 3.227 9 HZ PHE 57 HZ PHE 57 12.798 10.119 2.155 No H/Q in entry = 9 In of MODEL 4 1 H TYR 58 H TYR 58 11.056 6.185 7.055 2 HA TYR 58 HA TYR 58 9.095 4.253 6.637 3 HB2 TYR 58 HB2 TYR 58 9.207 7.050 7.541 4 HB3 TYR 58 HB3 TYR 58 7.668 6.629 6.806 5 HD1 TYR 58 HD1 TYR 58 6.059 6.183 8.424 6 HD2 TYR 58 HD2 TYR 58 10.040 4.806 9.090 7 HE1 TYR 58 HE1 TYR 58 5.335 5.123 10.540 8 HE2 TYR 58 HE2 TYR 58 9.323 3.748 11.204 9 HH TYR 58 HH TYR 58 6.011 3.402 12.053 No H/Q in entry = 9 In of MODEL 4 1 H LEU 59 H LEU 59 8.185 3.526 4.877 2 HA LEU 59 HA LEU 59 8.137 5.135 2.388 3 HB2 LEU 59 HB2 LEU 59 8.440 2.285 3.107 4 HB3 LEU 59 HB3 LEU 59 7.449 2.597 1.698 5 HG LEU 59 HG LEU 59 10.193 3.815 1.864 6 HD11 LEU 59 HD11 LEU 59 10.464 1.428 2.403 7 HD12 LEU 59 HD12 LEU 59 9.566 1.009 0.947 8 HD13 LEU 59 HD13 LEU 59 11.117 1.831 0.819 9 HD21 LEU 59 HD21 LEU 59 8.444 2.824 -0.392 10 HD22 LEU 59 HD22 LEU 59 8.664 4.508 0.084 11 HD23 LEU 59 HD23 LEU 59 10.021 3.594 -0.571 No H/Q in entry = 11 In of MODEL 4 1 H LEU 60 H LEU 60 6.187 5.989 1.832 2 HA LEU 60 HA LEU 60 3.775 4.396 2.295 3 HB2 LEU 60 HB2 LEU 60 3.770 6.000 4.064 4 HB3 LEU 60 HB3 LEU 60 4.215 7.293 2.973 5 HG LEU 60 HG LEU 60 2.003 7.148 1.903 6 HD11 LEU 60 HD11 LEU 60 1.555 4.788 2.335 7 HD12 LEU 60 HD12 LEU 60 1.401 5.131 4.058 8 HD13 LEU 60 HD13 LEU 60 0.242 5.811 2.914 9 HD21 LEU 60 HD21 LEU 60 1.944 7.490 4.897 10 HD22 LEU 60 HD22 LEU 60 2.353 8.728 3.709 11 HD23 LEU 60 HD23 LEU 60 0.716 8.075 3.775 No H/Q in entry = 11 In of MODEL 4 1 H TYR 61 H TYR 61 2.160 4.631 0.771 2 HA TYR 61 HA TYR 61 2.584 6.479 -1.490 3 HB2 TYR 61 HB2 TYR 61 1.886 3.510 -1.561 4 HB3 TYR 61 HB3 TYR 61 1.728 4.571 -2.969 5 HD1 TYR 61 HD1 TYR 61 4.168 3.110 -0.595 6 HD2 TYR 61 HD2 TYR 61 3.642 5.210 -4.257 7 HE1 TYR 61 HE1 TYR 61 6.562 2.782 -1.126 8 HE2 TYR 61 HE2 TYR 61 6.023 4.884 -4.798 9 HH TYR 61 HH TYR 61 8.202 4.513 -3.249 No H/Q in entry = 9 In of MODEL 4 1 H TYR 62 H TYR 62 0.457 6.861 -2.708 2 HA TYR 62 HA TYR 62 -1.861 6.266 -1.037 3 HB2 TYR 62 HB2 TYR 62 -2.709 8.644 -1.464 4 HB3 TYR 62 HB3 TYR 62 -1.489 8.401 -0.227 5 HD1 TYR 62 HD1 TYR 62 0.439 9.705 -0.232 6 HD2 TYR 62 HD2 TYR 62 -1.862 9.456 -3.807 7 HE1 TYR 62 HE1 TYR 62 1.819 11.467 -1.242 8 HE2 TYR 62 HE2 TYR 62 -0.478 11.211 -4.826 9 HH TYR 62 HH TYR 62 0.977 13.027 -4.172 No H/Q in entry = 9 In of MODEL 4 1 H THR 63 H THR 63 -3.800 5.980 -2.057 2 HA THR 63 HA THR 63 -4.040 6.602 -4.906 3 HB THR 63 HB THR 63 -3.276 4.139 -4.510 4 HG1 THR 63 HG1 THR 63 -4.375 5.185 -6.427 5 HG21 THR 63 HG21 THR 63 -4.901 3.599 -2.738 6 HG22 THR 63 HG22 THR 63 -6.210 3.873 -3.884 7 HG23 THR 63 HG23 THR 63 -5.080 2.548 -4.143 No H/Q in entry = 7 In of MODEL 4 1 H GLU 64 H GLU 64 -6.086 7.175 -5.493 2 HA GLU 64 HA GLU 64 -8.070 7.878 -3.662 3 HB2 GLU 64 HB2 GLU 64 -7.682 8.546 -6.178 4 HB3 GLU 64 HB3 GLU 64 -8.684 7.141 -6.513 5 HG2 GLU 64 HG2 GLU 64 -10.087 9.088 -6.533 6 HG3 GLU 64 HG3 GLU 64 -10.496 8.084 -5.145 No H/Q in entry = 6 In of MODEL 4 1 H PHE 65 H PHE 65 -9.678 6.657 -2.618 2 HA PHE 65 HA PHE 65 -10.435 4.142 -3.927 3 HB2 PHE 65 HB2 PHE 65 -10.387 2.925 -1.904 4 HB3 PHE 65 HB3 PHE 65 -8.892 3.824 -1.988 5 HD1 PHE 65 HD1 PHE 65 -12.312 4.581 -0.641 6 HD2 PHE 65 HD2 PHE 65 -8.122 4.451 0.031 7 HE1 PHE 65 HE1 PHE 65 -12.655 5.394 1.660 8 HE2 PHE 65 HE2 PHE 65 -8.471 5.258 2.339 9 HZ PHE 65 HZ PHE 65 -10.749 5.723 3.154 No H/Q in entry = 9 In of MODEL 4 1 H THR 66 H THR 66 -12.557 3.407 -3.598 2 HA THR 66 HA THR 66 -14.259 4.972 -1.772 3 HB THR 66 HB THR 66 -15.098 3.943 -4.507 4 HG1 THR 66 HG1 THR 66 -13.869 6.237 -3.716 5 HG21 THR 66 HG21 THR 66 -16.566 5.582 -2.425 6 HG22 THR 66 HG22 THR 66 -17.112 5.362 -4.090 7 HG23 THR 66 HG23 THR 66 -16.986 3.970 -3.018 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 67 HA PRO 67 -14.704 0.639 -0.452 2 HB2 PRO 67 HB2 PRO 67 -16.232 1.376 1.818 3 HB3 PRO 67 HB3 PRO 67 -14.526 0.946 1.774 4 HG2 PRO 67 HG2 PRO 67 -15.630 3.509 2.289 5 HG3 PRO 67 HG3 PRO 67 -13.922 3.080 2.122 6 HD2 PRO 67 HD2 PRO 67 -15.671 4.474 0.270 7 HD3 PRO 67 HD3 PRO 67 -13.904 4.324 0.240 No H/Q in entry = 7 In of MODEL 4 1 H THR 68 H THR 68 -16.129 -0.771 -0.824 2 HA THR 68 HA THR 68 -18.966 -0.052 -1.058 3 HB THR 68 HB THR 68 -19.142 -1.449 -3.061 4 HG1 THR 68 HG1 THR 68 -16.792 -1.998 -3.879 5 HG21 THR 68 HG21 THR 68 -18.545 0.904 -3.416 6 HG22 THR 68 HG22 THR 68 -16.836 0.479 -3.332 7 HG23 THR 68 HG23 THR 68 -17.833 -0.138 -4.649 No H/Q in entry = 7 In of MODEL 4 1 H GLU 69 H GLU 69 -20.368 -2.025 -0.854 2 HA GLU 69 HA GLU 69 -19.588 -3.839 1.129 3 HB2 GLU 69 HB2 GLU 69 -21.887 -3.434 0.833 4 HB3 GLU 69 HB3 GLU 69 -21.846 -3.773 -0.888 5 HG2 GLU 69 HG2 GLU 69 -22.931 -5.591 0.116 6 HG3 GLU 69 HG3 GLU 69 -21.299 -6.146 -0.279 No H/Q in entry = 6 In of MODEL 4 1 H LYS 70 H LYS 70 -18.406 -3.729 -1.993 2 HA LYS 70 HA LYS 70 -18.093 -6.637 -2.142 3 HB2 LYS 70 HB2 LYS 70 -18.151 -4.610 -4.369 4 HB3 LYS 70 HB3 LYS 70 -17.743 -6.300 -4.595 5 HG2 LYS 70 HG2 LYS 70 -20.373 -5.499 -3.378 6 HG3 LYS 70 HG3 LYS 70 -20.134 -5.520 -5.123 7 HD2 LYS 70 HD2 LYS 70 -21.117 -7.603 -4.489 8 HD3 LYS 70 HD3 LYS 70 -19.445 -7.909 -4.945 9 HE2 LYS 70 HE2 LYS 70 -20.027 -7.416 -2.075 10 HE3 LYS 70 HE3 LYS 70 -20.548 -8.951 -2.764 11 HZ1 LYS 70 HZ1 LYS 70 -17.769 -7.907 -2.891 12 HZ2 LYS 70 HZ2 LYS 70 -18.319 -9.051 -1.773 13 HZ3 LYS 70 HZ3 LYS 70 -18.298 -9.421 -3.426 No H/Q in entry = 13 In of MODEL 4 1 H ASP 71 H ASP 71 -16.147 -3.641 -2.267 2 HA ASP 71 HA ASP 71 -13.954 -5.221 -3.361 3 HB2 ASP 71 HB2 ASP 71 -14.228 -2.217 -3.145 4 HB3 ASP 71 HB3 ASP 71 -12.928 -3.075 -3.939 No H/Q in entry = 4 In of MODEL 4 1 H GLU 72 H GLU 72 -12.239 -5.710 -2.304 2 HA GLU 72 HA GLU 72 -11.726 -4.879 0.472 3 HB2 GLU 72 HB2 GLU 72 -11.987 -7.254 0.053 4 HB3 GLU 72 HB3 GLU 72 -10.835 -7.219 -1.255 5 HG2 GLU 72 HG2 GLU 72 -9.868 -6.478 1.448 6 HG3 GLU 72 HG3 GLU 72 -10.273 -8.160 1.164 No H/Q in entry = 6 In of MODEL 4 1 H TYR 73 H TYR 73 -9.644 -3.991 0.997 2 HA TYR 73 HA TYR 73 -7.982 -3.216 -1.328 3 HB2 TYR 73 HB2 TYR 73 -8.616 -1.614 1.164 4 HB3 TYR 73 HB3 TYR 73 -7.356 -1.176 0.022 5 HD1 TYR 73 HD1 TYR 73 -7.879 0.008 -1.941 6 HD2 TYR 73 HD2 TYR 73 -10.999 -1.738 0.356 7 HE1 TYR 73 HE1 TYR 73 -9.547 1.175 -3.329 8 HE2 TYR 73 HE2 TYR 73 -12.678 -0.574 -1.037 9 HH TYR 73 HH TYR 73 -12.899 1.265 -2.518 No H/Q in entry = 9 In of MODEL 4 1 H ALA 74 H ALA 74 -5.914 -3.754 -1.293 2 HA ALA 74 HA ALA 74 -4.700 -4.689 1.219 3 HB1 ALA 74 HB1 ALA 74 -5.529 -6.598 -0.082 4 HB2 ALA 74 HB2 ALA 74 -4.548 -6.079 -1.453 5 HB3 ALA 74 HB3 ALA 74 -3.771 -6.596 0.045 No H/Q in entry = 5 In of MODEL 4 1 H CYS 75 H CYS 75 -2.307 -4.699 1.197 2 HA CYS 75 HA CYS 75 -1.151 -3.204 -1.069 3 HB2 CYS 75 HB2 CYS 75 -1.249 -1.693 0.808 4 HB3 CYS 75 HB3 CYS 75 -0.453 -2.868 1.840 No H/Q in entry = 4 In of MODEL 4 1 H ARG 76 H ARG 76 0.489 -4.166 -2.055 2 HA ARG 76 HA ARG 76 1.497 -6.733 -0.998 3 HB2 ARG 76 HB2 ARG 76 0.298 -6.444 -3.248 4 HB3 ARG 76 HB3 ARG 76 1.757 -5.609 -3.785 5 HG2 ARG 76 HG2 ARG 76 3.025 -7.673 -3.554 6 HG3 ARG 76 HG3 ARG 76 1.642 -8.485 -2.819 7 HD2 ARG 76 HD2 ARG 76 1.864 -9.079 -5.236 8 HD3 ARG 76 HD3 ARG 76 0.355 -8.209 -4.895 9 HE ARG 76 HE ARG 76 2.281 -6.293 -5.547 10 HH11 ARG 76 HH11 ARG 76 0.660 -8.936 -7.174 11 HH12 ARG 76 HH12 ARG 76 0.796 -8.212 -8.747 12 HH21 ARG 76 HH21 ARG 76 2.492 -5.348 -7.587 13 HH22 ARG 76 HH22 ARG 76 1.859 -6.174 -8.989 No H/Q in entry = 13 In of MODEL 4 1 H VAL 77 H VAL 77 3.645 -6.928 -0.425 2 HA VAL 77 HA VAL 77 5.540 -5.043 -1.676 3 HB VAL 77 HB VAL 77 4.853 -4.452 0.771 4 HG11 VAL 77 HG11 VAL 77 5.310 -6.644 1.754 5 HG12 VAL 77 HG12 VAL 77 7.006 -6.501 1.281 6 HG13 VAL 77 HG13 VAL 77 6.327 -5.388 2.470 7 HG21 VAL 77 HG21 VAL 77 6.522 -3.299 -0.596 8 HG22 VAL 77 HG22 VAL 77 7.025 -3.412 1.096 9 HG23 VAL 77 HG23 VAL 77 7.732 -4.488 -0.110 No H/Q in entry = 9 In of MODEL 4 1 H ASN 78 H ASN 78 7.418 -5.783 -2.250 2 HA ASN 78 HA ASN 78 8.310 -8.441 -1.347 3 HB2 ASN 78 HB2 ASN 78 7.125 -8.610 -3.577 4 HB3 ASN 78 HB3 ASN 78 8.422 -7.626 -4.255 5 HD21 ASN 78 HD21 ASN 78 9.020 -9.306 -5.643 6 HD22 ASN 78 HD22 ASN 78 9.885 -10.692 -5.067 No H/Q in entry = 6 In of MODEL 4 1 H HIS 79 H HIS 79 10.428 -8.761 -1.175 2 HA HIS 79 HA HIS 79 12.259 -6.714 -2.173 3 HB2 HIS 79 HB2 HIS 79 11.809 -6.319 0.271 4 HB3 HIS 79 HB3 HIS 79 12.438 -7.918 0.606 5 HD2 HIS 79 HD2 HIS 79 13.710 -4.366 -0.294 6 HE1 HIS 79 HE1 HIS 79 17.021 -6.843 0.590 7 HE2 HIS 79 HE2 HIS 79 16.217 -4.450 0.355 No H/Q in entry = 7 In of MODEL 4 1 H VAL 80 H VAL 80 14.545 -7.564 -2.136 2 HA VAL 80 HA VAL 80 14.806 -9.856 -3.636 3 HB VAL 80 HB VAL 80 16.905 -8.781 -1.747 4 HG11 VAL 80 HG11 VAL 80 17.177 -10.415 -4.273 5 HG12 VAL 80 HG12 VAL 80 18.511 -9.739 -3.337 6 HG13 VAL 80 HG13 VAL 80 17.478 -10.980 -2.630 7 HG21 VAL 80 HG21 VAL 80 16.275 -8.010 -4.594 8 HG22 VAL 80 HG22 VAL 80 16.061 -7.005 -3.160 9 HG23 VAL 80 HG23 VAL 80 17.681 -7.466 -3.678 No H/Q in entry = 9 In of MODEL 4 1 H THR 81 H THR 81 14.794 -9.570 -0.105 2 HA THR 81 HA THR 81 15.816 -12.220 0.323 3 HB THR 81 HB THR 81 16.254 -10.689 2.081 4 HG1 THR 81 HG1 THR 81 14.662 -11.708 3.792 5 HG21 THR 81 HG21 THR 81 13.274 -10.181 2.230 6 HG22 THR 81 HG22 THR 81 14.471 -9.551 3.363 7 HG23 THR 81 HG23 THR 81 14.507 -9.047 1.673 No H/Q in entry = 7 In of MODEL 4 1 H LEU 82 H LEU 82 12.543 -10.812 0.860 2 HA LEU 82 HA LEU 82 11.227 -13.089 1.594 3 HB2 LEU 82 HB2 LEU 82 9.995 -11.089 -0.296 4 HB3 LEU 82 HB3 LEU 82 9.172 -12.131 0.855 5 HG LEU 82 HG LEU 82 11.057 -9.951 1.700 6 HD11 LEU 82 HD11 LEU 82 8.056 -9.848 1.435 7 HD12 LEU 82 HD12 LEU 82 9.068 -8.629 2.211 8 HD13 LEU 82 HD13 LEU 82 9.235 -8.942 0.488 9 HD21 LEU 82 HD21 LEU 82 10.712 -11.733 3.328 10 HD22 LEU 82 HD22 LEU 82 9.951 -10.234 3.862 11 HD23 LEU 82 HD23 LEU 82 8.965 -11.529 3.184 No H/Q in entry = 11 In of MODEL 4 1 H SER 83 H SER 83 11.858 -12.014 -1.697 2 HA SER 83 HA SER 83 11.720 -12.922 -3.736 3 HB2 SER 83 HB2 SER 83 12.129 -15.277 -4.085 4 HB3 SER 83 HB3 SER 83 13.171 -14.695 -2.793 5 HG SER 83 HG SER 83 11.333 -15.514 -1.394 No H/Q in entry = 5 In of MODEL 4 1 H GLN 84 H GLN 84 9.365 -13.860 -1.424 2 HA GLN 84 HA GLN 84 7.382 -13.889 -3.581 3 HB2 GLN 84 HB2 GLN 84 5.973 -15.429 -2.293 4 HB3 GLN 84 HB3 GLN 84 7.530 -16.157 -2.654 5 HG2 GLN 84 HG2 GLN 84 8.260 -15.808 -0.360 6 HG3 GLN 84 HG3 GLN 84 6.781 -14.910 0.003 7 HE21 GLN 84 HE21 GLN 84 6.249 -16.316 1.644 8 HE22 GLN 84 HE22 GLN 84 5.629 -17.899 1.337 No H/Q in entry = 8 In of MODEL 4 1 HA PRO 85 HA PRO 85 6.246 -10.305 -1.069 2 HB2 PRO 85 HB2 PRO 85 4.185 -9.444 -2.618 3 HB3 PRO 85 HB3 PRO 85 5.895 -9.051 -2.908 4 HG2 PRO 85 HG2 PRO 85 4.148 -11.067 -4.263 5 HG3 PRO 85 HG3 PRO 85 5.441 -10.055 -4.947 6 HD2 PRO 85 HD2 PRO 85 5.774 -12.744 -4.337 7 HD3 PRO 85 HD3 PRO 85 7.115 -11.546 -4.341 No H/Q in entry = 7 In of MODEL 4 1 H LYS 86 H LYS 86 4.544 -9.694 0.211 2 HA LYS 86 HA LYS 86 2.380 -11.644 0.385 3 HB2 LYS 86 HB2 LYS 86 2.569 -10.535 2.915 4 HB3 LYS 86 HB3 LYS 86 3.021 -12.150 2.435 5 HG2 LYS 86 HG2 LYS 86 5.047 -9.970 2.187 6 HG3 LYS 86 HG3 LYS 86 4.715 -10.719 3.749 7 HD2 LYS 86 HD2 LYS 86 5.295 -12.344 1.304 8 HD3 LYS 86 HD3 LYS 86 6.578 -11.741 2.349 9 HE2 LYS 86 HE2 LYS 86 4.328 -13.595 3.139 10 HE3 LYS 86 HE3 LYS 86 6.027 -14.015 2.970 11 HZ1 LYS 86 HZ1 LYS 86 4.993 -12.043 4.937 12 HZ2 LYS 86 HZ2 LYS 86 5.298 -13.670 5.291 13 HZ3 LYS 86 HZ3 LYS 86 6.575 -12.653 4.834 No H/Q in entry = 13 In of MODEL 4 1 H ILE 87 H ILE 87 0.384 -10.926 1.089 2 HA ILE 87 HA ILE 87 -0.161 -8.123 0.397 3 HB ILE 87 HB ILE 87 -1.593 -10.595 -0.247 4 HG12 ILE 87 HG12 ILE 87 -0.888 -9.292 -2.071 5 HG13 ILE 87 HG13 ILE 87 -2.623 -8.969 -1.962 6 HG21 ILE 87 HG21 ILE 87 -3.188 -8.258 0.767 7 HG22 ILE 87 HG22 ILE 87 -3.847 -9.573 -0.207 8 HG23 ILE 87 HG23 ILE 87 -3.192 -9.906 1.397 9 HD11 ILE 87 HD11 ILE 87 -2.183 -6.895 -0.814 10 HD12 ILE 87 HD12 ILE 87 -0.450 -7.200 -0.901 11 HD13 ILE 87 HD13 ILE 87 -1.378 -6.949 -2.376 No H/Q in entry = 11 In of MODEL 4 1 H VAL 88 H VAL 88 -1.089 -6.764 1.793 2 HA VAL 88 HA VAL 88 -2.091 -7.859 4.336 3 HB VAL 88 HB VAL 88 -0.131 -6.426 4.691 4 HG11 VAL 88 HG11 VAL 88 -1.708 -4.294 3.296 5 HG12 VAL 88 HG12 VAL 88 -0.206 -4.032 4.183 6 HG13 VAL 88 HG13 VAL 88 -0.212 -5.039 2.728 7 HG21 VAL 88 HG21 VAL 88 -2.742 -5.198 5.545 8 HG22 VAL 88 HG22 VAL 88 -1.804 -6.409 6.416 9 HG23 VAL 88 HG23 VAL 88 -1.172 -4.771 6.227 No H/Q in entry = 9 In of MODEL 4 1 H LYS 89 H LYS 89 -4.255 -7.591 4.600 2 HA LYS 89 HA LYS 89 -5.520 -5.709 2.738 3 HB2 LYS 89 HB2 LYS 89 -6.746 -8.127 4.059 4 HB3 LYS 89 HB3 LYS 89 -7.497 -7.090 2.848 5 HG2 LYS 89 HG2 LYS 89 -6.194 -7.909 1.135 6 HG3 LYS 89 HG3 LYS 89 -4.918 -8.434 2.238 7 HD2 LYS 89 HD2 LYS 89 -7.645 -9.680 2.220 8 HD3 LYS 89 HD3 LYS 89 -6.332 -10.263 1.196 9 HE2 LYS 89 HE2 LYS 89 -4.959 -10.546 3.278 10 HE3 LYS 89 HE3 LYS 89 -6.406 -10.164 4.211 11 HZ1 LYS 89 HZ1 LYS 89 -6.276 -12.381 2.244 12 HZ2 LYS 89 HZ2 LYS 89 -5.945 -12.576 3.894 13 HZ3 LYS 89 HZ3 LYS 89 -7.489 -12.091 3.401 No H/Q in entry = 13 In of MODEL 4 1 H TRP 90 H TRP 90 -7.093 -4.328 3.454 2 HA TRP 90 HA TRP 90 -6.686 -3.487 6.178 3 HB2 TRP 90 HB2 TRP 90 -6.736 -1.805 4.386 4 HB3 TRP 90 HB3 TRP 90 -8.370 -2.300 3.975 5 HD1 TRP 90 HD1 TRP 90 -6.884 -1.214 7.438 6 HE1 TRP 90 HE1 TRP 90 -8.393 0.600 8.387 7 HE3 TRP 90 HE3 TRP 90 -10.181 -0.754 3.508 8 HZ2 TRP 90 HZ2 TRP 90 -10.725 1.996 7.646 9 HZ3 TRP 90 HZ3 TRP 90 -12.015 0.849 3.714 10 HH2 TRP 90 HH2 TRP 90 -12.291 2.214 5.717 No H/Q in entry = 10 In of MODEL 4 1 H ASP 91 H ASP 91 -7.942 -3.789 7.846 2 HA ASP 91 HA ASP 91 -9.903 -5.820 7.803 3 HB2 ASP 91 HB2 ASP 91 -9.258 -3.860 10.008 4 HB3 ASP 91 HB3 ASP 91 -10.109 -5.392 10.188 No H/Q in entry = 4 In of MODEL 4 1 H ARG 92 H ARG 92 -11.702 -5.367 6.638 2 HA ARG 92 HA ARG 92 -13.811 -4.024 7.856 3 HB2 ARG 92 HB2 ARG 92 -14.093 -2.006 6.621 4 HB3 ARG 92 HB3 ARG 92 -12.392 -2.046 7.079 5 HG2 ARG 92 HG2 ARG 92 -12.148 -1.401 4.936 6 HG3 ARG 92 HG3 ARG 92 -12.092 -3.159 4.705 7 HD2 ARG 92 HD2 ARG 92 -13.748 -1.420 3.309 8 HD3 ARG 92 HD3 ARG 92 -14.030 -3.153 3.511 9 HE ARG 92 HE ARG 92 -15.134 -1.470 5.591 10 HH11 ARG 92 HH11 ARG 92 -15.675 -3.039 2.508 11 HH12 ARG 92 HH12 ARG 92 -17.394 -3.097 2.690 12 HH21 ARG 92 HH21 ARG 92 -17.397 -1.545 5.847 13 HH22 ARG 92 HH22 ARG 92 -18.381 -2.277 4.607 No H/Q in entry = 13 In of MODEL 4 1 H ASP 93 H ASP 93 -12.488 -5.949 5.540 2 HA ASP 93 HA ASP 93 -14.919 -6.762 4.344 3 HB2 ASP 93 HB2 ASP 93 -14.594 -4.544 3.229 4 HB3 ASP 93 HB3 ASP 93 -13.098 -5.176 2.531 No H/Q in entry = 4 In of MODEL 4 1 HA MET 94 HA MET 94 -10.597 -8.657 2.947 2 HB2 MET 94 HB2 MET 94 -9.516 -9.987 5.039 3 HB3 MET 94 HB3 MET 94 -8.930 -8.447 4.426 4 HG2 MET 94 HG2 MET 94 -9.152 -8.620 6.932 5 HG3 MET 94 HG3 MET 94 -9.956 -7.226 6.207 6 HE1 MET 94 HE1 MET 94 -10.367 -8.556 9.192 7 HE2 MET 94 HE2 MET 94 -11.127 -7.048 8.679 8 HE3 MET 94 HE3 MET 94 -12.109 -8.340 9.368 No H/Q in entry = 8 In of MODEL 5 1 HA MET 1 HA MET 1 4.793 -8.149 6.533 2 HB2 MET 1 HB2 MET 1 4.978 -9.009 8.862 3 HB3 MET 1 HB3 MET 1 4.932 -7.355 9.454 4 HG2 MET 1 HG2 MET 1 2.696 -7.070 8.580 5 HG3 MET 1 HG3 MET 1 2.736 -8.688 7.886 6 HE1 MET 1 HE1 MET 1 2.776 -10.914 9.322 7 HE2 MET 1 HE2 MET 1 4.195 -10.351 10.204 8 HE3 MET 1 HE3 MET 1 2.786 -10.948 11.085 No H/Q in entry = 8 In of MODEL 5 1 H ILE 2 H ILE 2 3.383 -6.687 5.738 2 HA ILE 2 HA ILE 2 4.117 -3.881 5.929 3 HB ILE 2 HB ILE 2 1.804 -5.000 4.326 4 HG12 ILE 2 HG12 ILE 2 4.332 -4.627 2.880 5 HG13 ILE 2 HG13 ILE 2 4.338 -5.969 4.021 6 HG21 ILE 2 HG21 ILE 2 2.055 -2.531 4.500 7 HG22 ILE 2 HG22 ILE 2 3.632 -2.673 3.722 8 HG23 ILE 2 HG23 ILE 2 2.173 -3.140 2.853 9 HD11 ILE 2 HD11 ILE 2 2.262 -5.588 1.869 10 HD12 ILE 2 HD12 ILE 2 3.688 -6.622 1.720 11 HD13 ILE 2 HD13 ILE 2 2.456 -6.986 2.926 No H/Q in entry = 11 In of MODEL 5 1 H GLN 3 H GLN 3 2.189 -2.322 6.061 2 HA GLN 3 HA GLN 3 0.027 -3.265 7.769 3 HB2 GLN 3 HB2 GLN 3 0.477 -1.880 9.690 4 HB3 GLN 3 HB3 GLN 3 2.007 -2.663 9.320 5 HG2 GLN 3 HG2 GLN 3 2.871 -0.626 8.271 6 HG3 GLN 3 HG3 GLN 3 1.353 0.247 8.610 7 HE21 GLN 3 HE21 GLN 3 0.882 0.803 10.728 8 HE22 GLN 3 HE22 GLN 3 2.079 0.805 11.972 No H/Q in entry = 8 In of MODEL 5 1 H VAL 4 H VAL 4 -1.626 -2.618 6.638 2 HA VAL 4 HA VAL 4 -1.597 0.047 5.437 3 HB VAL 4 HB VAL 4 -3.790 -0.746 4.346 4 HG11 VAL 4 HG11 VAL 4 -1.663 -0.592 3.148 5 HG12 VAL 4 HG12 VAL 4 -1.233 -2.212 3.695 6 HG13 VAL 4 HG13 VAL 4 -2.605 -1.983 2.611 7 HG21 VAL 4 HG21 VAL 4 -4.189 -2.609 5.898 8 HG22 VAL 4 HG22 VAL 4 -4.137 -3.139 4.215 9 HG23 VAL 4 HG23 VAL 4 -2.756 -3.422 5.275 No H/Q in entry = 9 In of MODEL 5 1 H TYR 5 H TYR 5 -3.206 1.521 5.746 2 HA TYR 5 HA TYR 5 -5.304 1.290 7.658 3 HB2 TYR 5 HB2 TYR 5 -2.735 2.649 8.500 4 HB3 TYR 5 HB3 TYR 5 -4.286 3.143 9.170 5 HD1 TYR 5 HD1 TYR 5 -5.728 1.110 10.177 6 HD2 TYR 5 HD2 TYR 5 -1.503 1.031 9.622 7 HE1 TYR 5 HE1 TYR 5 -5.548 -0.739 11.808 8 HE2 TYR 5 HE2 TYR 5 -1.319 -0.831 11.233 9 HH TYR 5 HH TYR 5 -2.503 -1.828 13.028 No H/Q in entry = 9 In of MODEL 5 1 H SER 6 H SER 6 -6.182 3.651 8.059 2 HA SER 6 HA SER 6 -5.755 5.144 5.548 3 HB2 SER 6 HB2 SER 6 -8.403 4.654 6.946 4 HB3 SER 6 HB3 SER 6 -8.163 5.611 5.475 5 HG SER 6 HG SER 6 -7.777 2.818 5.816 No H/Q in entry = 5 In of MODEL 5 1 H ARG 7 H ARG 7 -6.473 7.411 5.599 2 HA ARG 7 HA ARG 7 -5.699 8.672 8.104 3 HB2 ARG 7 HB2 ARG 7 -5.427 9.347 5.404 4 HB3 ARG 7 HB3 ARG 7 -6.614 10.491 6.022 5 HG2 ARG 7 HG2 ARG 7 -3.831 10.013 7.087 6 HG3 ARG 7 HG3 ARG 7 -4.394 11.423 6.188 7 HD2 ARG 7 HD2 ARG 7 -5.554 10.572 8.829 8 HD3 ARG 7 HD3 ARG 7 -4.214 11.714 8.687 9 HE ARG 7 HE ARG 7 -6.108 12.781 7.069 10 HH11 ARG 7 HH11 ARG 7 -6.097 11.692 10.393 11 HH12 ARG 7 HH12 ARG 7 -7.341 12.791 10.904 12 HH21 ARG 7 HH21 ARG 7 -7.749 14.257 7.734 13 HH22 ARG 7 HH22 ARG 7 -8.299 14.235 9.387 No H/Q in entry = 13 In of MODEL 5 1 H HIS 8 H HIS 8 -8.557 7.727 6.583 2 HA HIS 8 HA HIS 8 -10.160 9.526 8.252 3 HB2 HIS 8 HB2 HIS 8 -10.798 8.789 5.382 4 HB3 HIS 8 HB3 HIS 8 -11.758 9.825 6.429 5 HD2 HIS 8 HD2 HIS 8 -10.408 12.307 7.109 6 HE1 HIS 8 HE1 HIS 8 -8.092 12.146 3.570 7 HE2 HIS 8 HE2 HIS 8 -8.728 13.563 5.577 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 9 HA PRO 9 -12.482 5.869 9.255 2 HB2 PRO 9 HB2 PRO 9 -15.048 7.194 9.134 3 HB3 PRO 9 HB3 PRO 9 -14.127 6.691 10.564 4 HG2 PRO 9 HG2 PRO 9 -14.554 9.321 9.797 5 HG3 PRO 9 HG3 PRO 9 -13.220 8.775 10.828 6 HD2 PRO 9 HD2 PRO 9 -13.203 9.534 7.938 7 HD3 PRO 9 HD3 PRO 9 -11.936 9.700 9.173 No H/Q in entry = 7 In of MODEL 5 1 H ALA 10 H ALA 10 -13.356 4.174 8.143 2 HA ALA 10 HA ALA 10 -13.847 4.258 5.391 3 HB1 ALA 10 HB1 ALA 10 -14.719 1.972 5.685 4 HB2 ALA 10 HB2 ALA 10 -13.208 2.219 6.562 5 HB3 ALA 10 HB3 ALA 10 -14.743 2.219 7.429 No H/Q in entry = 5 In of MODEL 5 1 H GLU 11 H GLU 11 -15.482 5.702 4.678 2 HA GLU 11 HA GLU 11 -18.185 4.986 5.652 3 HB2 GLU 11 HB2 GLU 11 -17.174 7.436 5.906 4 HB3 GLU 11 HB3 GLU 11 -17.700 7.579 4.241 5 HG2 GLU 11 HG2 GLU 11 -19.456 6.936 6.595 6 HG3 GLU 11 HG3 GLU 11 -19.346 8.475 5.757 No H/Q in entry = 6 In of MODEL 5 1 H ASN 12 H ASN 12 -18.804 3.440 4.223 2 HA ASN 12 HA ASN 12 -18.393 2.984 1.625 3 HB2 ASN 12 HB2 ASN 12 -20.921 2.742 3.295 4 HB3 ASN 12 HB3 ASN 12 -20.893 2.112 1.660 5 HD21 ASN 12 HD21 ASN 12 -21.220 0.029 2.399 6 HD22 ASN 12 HD22 ASN 12 -19.986 -0.882 3.204 No H/Q in entry = 6 In of MODEL 5 1 H GLY 13 H GLY 13 -18.076 4.561 0.174 2 HA2 GLY 13 HA2 GLY 13 -20.373 6.333 -0.466 3 HA3 GLY 13 HA3 GLY 13 -19.386 5.574 -1.706 No H/Q in entry = 3 In of MODEL 5 1 H LYS 14 H LYS 14 -17.365 6.528 0.809 2 HA LYS 14 HA LYS 14 -16.990 9.217 -0.367 3 HB2 LYS 14 HB2 LYS 14 -15.463 8.065 1.964 4 HB3 LYS 14 HB3 LYS 14 -15.594 9.744 1.494 5 HG2 LYS 14 HG2 LYS 14 -17.880 8.103 2.565 6 HG3 LYS 14 HG3 LYS 14 -16.813 9.103 3.539 7 HD2 LYS 14 HD2 LYS 14 -18.756 10.354 3.189 8 HD3 LYS 14 HD3 LYS 14 -17.509 11.083 2.187 9 HE2 LYS 14 HE2 LYS 14 -19.446 11.048 0.861 10 HE3 LYS 14 HE3 LYS 14 -18.467 9.706 0.274 11 HZ1 LYS 14 HZ1 LYS 14 -19.838 8.251 1.772 12 HZ2 LYS 14 HZ2 LYS 14 -20.853 9.575 2.035 13 HZ3 LYS 14 HZ3 LYS 14 -20.692 8.937 0.475 No H/Q in entry = 13 In of MODEL 5 1 H SER 15 H SER 15 -15.018 9.884 -1.250 2 HA SER 15 HA SER 15 -13.046 7.775 -1.686 3 HB2 SER 15 HB2 SER 15 -11.978 9.684 -3.136 4 HB3 SER 15 HB3 SER 15 -13.336 8.741 -3.752 5 HG SER 15 HG SER 15 -13.163 11.402 -3.191 No H/Q in entry = 5 In of MODEL 5 1 H ASN 16 H ASN 16 -10.982 7.927 -1.017 2 HA ASN 16 HA ASN 16 -10.055 10.058 0.696 3 HB2 ASN 16 HB2 ASN 16 -10.330 7.293 1.899 4 HB3 ASN 16 HB3 ASN 16 -9.821 8.764 2.707 5 HD21 ASN 16 HD21 ASN 16 -11.294 9.895 3.786 6 HD22 ASN 16 HD22 ASN 16 -13.000 9.589 3.757 No H/Q in entry = 6 In of MODEL 5 1 H PHE 17 H PHE 17 -7.954 8.538 1.903 2 HA PHE 17 HA PHE 17 -6.585 7.528 -0.506 3 HB2 PHE 17 HB2 PHE 17 -5.558 9.245 1.752 4 HB3 PHE 17 HB3 PHE 17 -4.474 8.361 0.682 5 HD1 PHE 17 HD1 PHE 17 -4.905 11.453 1.179 6 HD2 PHE 17 HD2 PHE 17 -6.109 8.723 -1.867 7 HE1 PHE 17 HE1 PHE 17 -4.993 13.300 -0.442 8 HE2 PHE 17 HE2 PHE 17 -6.190 10.568 -3.489 9 HZ PHE 17 HZ PHE 17 -5.633 12.859 -2.777 No H/Q in entry = 9 In of MODEL 5 1 H LEU 18 H LEU 18 -5.664 5.559 -0.398 2 HA LEU 18 HA LEU 18 -5.809 4.105 2.142 3 HB2 LEU 18 HB2 LEU 18 -6.627 2.850 0.282 4 HB3 LEU 18 HB3 LEU 18 -5.218 3.237 -0.684 5 HG LEU 18 HG LEU 18 -3.819 1.756 0.695 6 HD11 LEU 18 HD11 LEU 18 -6.360 1.194 2.232 7 HD12 LEU 18 HD12 LEU 18 -4.868 0.270 2.358 8 HD13 LEU 18 HD13 LEU 18 -4.897 1.959 2.851 9 HD21 LEU 18 HD21 LEU 18 -6.366 0.494 -0.310 10 HD22 LEU 18 HD22 LEU 18 -4.881 0.771 -1.221 11 HD23 LEU 18 HD23 LEU 18 -4.899 -0.389 0.108 No H/Q in entry = 11 In of MODEL 5 1 H ASN 19 H ASN 19 -4.139 3.788 3.420 2 HA ASN 19 HA ASN 19 -1.494 4.664 2.454 3 HB2 ASN 19 HB2 ASN 19 -1.604 6.068 4.224 4 HB3 ASN 19 HB3 ASN 19 -2.940 5.186 4.959 5 HD21 ASN 19 HD21 ASN 19 -2.501 3.568 6.441 6 HD22 ASN 19 HD22 ASN 19 -0.953 3.401 7.188 No H/Q in entry = 6 In of MODEL 5 1 H CYS 20 H CYS 20 0.074 3.214 2.243 2 HA CYS 20 HA CYS 20 -0.049 0.727 3.823 3 HB2 CYS 20 HB2 CYS 20 -0.398 0.133 1.527 4 HB3 CYS 20 HB3 CYS 20 0.831 1.268 0.956 No H/Q in entry = 4 In of MODEL 5 1 H TYR 21 H TYR 21 1.577 0.790 5.351 2 HA TYR 21 HA TYR 21 3.916 2.472 4.812 3 HB2 TYR 21 HB2 TYR 21 3.143 0.916 7.285 4 HB3 TYR 21 HB3 TYR 21 4.626 1.830 7.134 5 HD1 TYR 21 HD1 TYR 21 4.432 4.359 6.830 6 HD2 TYR 21 HD2 TYR 21 1.173 1.908 8.043 7 HE1 TYR 21 HE1 TYR 21 3.316 6.329 7.796 8 HE2 TYR 21 HE2 TYR 21 0.045 3.871 9.002 9 HH TYR 21 HH TYR 21 0.816 6.147 9.944 No H/Q in entry = 9 In of MODEL 5 1 H VAL 22 H VAL 22 5.850 1.744 4.278 2 HA VAL 22 HA VAL 22 6.440 -1.115 4.600 3 HB VAL 22 HB VAL 22 7.161 0.535 2.131 4 HG11 VAL 22 HG11 VAL 22 8.753 -1.274 2.755 5 HG12 VAL 22 HG12 VAL 22 7.433 -2.440 2.612 6 HG13 VAL 22 HG13 VAL 22 7.968 -1.531 1.195 7 HG21 VAL 22 HG21 VAL 22 4.763 0.075 2.164 8 HG22 VAL 22 HG22 VAL 22 5.563 -0.877 0.913 9 HG23 VAL 22 HG23 VAL 22 5.077 -1.640 2.429 No H/Q in entry = 9 In of MODEL 5 1 H SER 23 H SER 23 8.061 -0.984 6.140 2 HA SER 23 HA SER 23 9.937 1.289 5.946 3 HB2 SER 23 HB2 SER 23 9.875 1.367 8.430 4 HB3 SER 23 HB3 SER 23 8.286 1.605 7.714 5 HG SER 23 HG SER 23 9.039 -1.003 8.367 No H/Q in entry = 5 In of MODEL 5 1 H GLY 24 H GLY 24 12.102 0.855 6.061 2 HA2 GLY 24 HA2 GLY 24 12.961 -1.773 7.145 3 HA3 GLY 24 HA3 GLY 24 13.953 -0.318 7.152 No H/Q in entry = 3 In of MODEL 5 1 H PHE 25 H PHE 25 12.299 -0.487 4.309 2 HA PHE 25 HA PHE 25 14.304 -2.149 2.951 3 HB2 PHE 25 HB2 PHE 25 11.613 -1.164 1.977 4 HB3 PHE 25 HB3 PHE 25 12.652 -2.336 1.170 5 HD1 PHE 25 HD1 PHE 25 12.828 -4.628 1.964 6 HD2 PHE 25 HD2 PHE 25 10.351 -1.811 3.991 7 HE1 PHE 25 HE1 PHE 25 11.754 -6.473 3.201 8 HE2 PHE 25 HE2 PHE 25 9.266 -3.658 5.235 9 HZ PHE 25 HZ PHE 25 9.955 -5.977 4.817 No H/Q in entry = 9 In of MODEL 5 1 H HIS 26 H HIS 26 15.343 -1.387 1.041 2 HA HIS 26 HA HIS 26 15.695 1.471 0.928 3 HB2 HIS 26 HB2 HIS 26 16.988 0.717 -1.295 4 HB3 HIS 26 HB3 HIS 26 17.702 0.620 0.289 5 HD2 HIS 26 HD2 HIS 26 15.802 -1.886 -2.083 6 HE1 HIS 26 HE1 HIS 26 18.883 -3.866 0.036 7 HE2 HIS 26 HE2 HIS 26 17.276 -4.017 -1.915 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 27 HA PRO 27 12.243 2.236 -1.777 2 HB2 PRO 27 HB2 PRO 27 13.780 4.742 -2.242 3 HB3 PRO 27 HB3 PRO 27 12.093 4.539 -1.756 4 HG2 PRO 27 HG2 PRO 27 13.945 5.326 -0.006 5 HG3 PRO 27 HG3 PRO 27 12.638 4.217 0.480 6 HD2 PRO 27 HD2 PRO 27 15.524 3.641 -0.112 7 HD3 PRO 27 HD3 PRO 27 14.453 2.922 1.112 No H/Q in entry = 7 In of MODEL 5 1 H SER 28 H SER 28 15.399 1.637 -2.655 2 HA SER 28 HA SER 28 14.982 2.286 -5.464 3 HB2 SER 28 HB2 SER 28 17.098 3.045 -4.690 4 HB3 SER 28 HB3 SER 28 17.448 1.500 -3.914 5 HG SER 28 HG SER 28 17.175 1.905 -6.719 No H/Q in entry = 5 In of MODEL 5 1 H ASP 29 H ASP 29 15.593 -0.614 -3.359 2 HA ASP 29 HA ASP 29 15.017 -2.152 -5.830 3 HB2 ASP 29 HB2 ASP 29 16.726 -2.996 -3.495 4 HB3 ASP 29 HB3 ASP 29 16.132 -4.118 -4.708 No H/Q in entry = 4 In of MODEL 5 1 H ILE 30 H ILE 30 12.827 -1.234 -4.238 2 HA ILE 30 HA ILE 30 11.833 -3.925 -3.570 3 HB ILE 30 HB ILE 30 10.723 -3.267 -1.693 4 HG12 ILE 30 HG12 ILE 30 10.691 -0.372 -2.610 5 HG13 ILE 30 HG13 ILE 30 9.363 -1.521 -2.785 6 HG21 ILE 30 HG21 ILE 30 13.018 -1.338 -1.791 7 HG22 ILE 30 HG22 ILE 30 12.095 -1.717 -0.337 8 HG23 ILE 30 HG23 ILE 30 13.021 -2.978 -1.149 9 HD11 ILE 30 HD11 ILE 30 10.535 -0.586 -0.177 10 HD12 ILE 30 HD12 ILE 30 9.021 -0.037 -0.891 11 HD13 ILE 30 HD13 ILE 30 9.192 -1.713 -0.366 No H/Q in entry = 11 In of MODEL 5 1 H GLU 31 H GLU 31 9.435 -4.055 -3.655 2 HA GLU 31 HA GLU 31 8.268 -2.335 -5.732 3 HB2 GLU 31 HB2 GLU 31 8.239 -5.356 -5.652 4 HB3 GLU 31 HB3 GLU 31 7.195 -4.391 -6.684 5 HG2 GLU 31 HG2 GLU 31 9.001 -3.611 -7.976 6 HG3 GLU 31 HG3 GLU 31 10.193 -4.148 -6.794 No H/Q in entry = 6 In of MODEL 5 1 H VAL 32 H VAL 32 6.567 -1.390 -4.747 2 HA VAL 32 HA VAL 32 4.779 -3.086 -3.146 3 HB VAL 32 HB VAL 32 5.466 -1.903 -1.329 4 HG11 VAL 32 HG11 VAL 32 7.322 -0.882 -2.593 5 HG12 VAL 32 HG12 VAL 32 6.247 0.431 -3.066 6 HG13 VAL 32 HG13 VAL 32 6.651 0.189 -1.365 7 HG21 VAL 32 HG21 VAL 32 3.181 -1.091 -1.651 8 HG22 VAL 32 HG22 VAL 32 4.196 0.132 -0.886 9 HG23 VAL 32 HG23 VAL 32 3.789 0.267 -2.596 No H/Q in entry = 9 In of MODEL 5 1 H ASP 33 H ASP 33 2.647 -2.938 -3.655 2 HA ASP 33 HA ASP 33 1.775 -0.650 -5.285 3 HB2 ASP 33 HB2 ASP 33 1.156 -3.578 -5.915 4 HB3 ASP 33 HB3 ASP 33 0.375 -2.199 -6.669 No H/Q in entry = 4 In of MODEL 5 1 H LEU 34 H LEU 34 -0.584 -0.443 -5.305 2 HA LEU 34 HA LEU 34 -1.798 -1.444 -2.813 3 HB2 LEU 34 HB2 LEU 34 -2.145 1.101 -4.339 4 HB3 LEU 34 HB3 LEU 34 -3.524 0.475 -3.458 5 HG LEU 34 HG LEU 34 -2.101 0.476 -1.375 6 HD11 LEU 34 HD11 LEU 34 0.095 0.486 -2.435 7 HD12 LEU 34 HD12 LEU 34 -0.218 2.103 -3.075 8 HD13 LEU 34 HD13 LEU 34 -0.103 1.846 -1.331 9 HD21 LEU 34 HD21 LEU 34 -3.720 2.232 -1.808 10 HD22 LEU 34 HD22 LEU 34 -2.290 2.871 -0.998 11 HD23 LEU 34 HD23 LEU 34 -2.513 3.131 -2.727 No H/Q in entry = 11 In of MODEL 5 1 H LEU 35 H LEU 35 -3.494 -2.793 -2.939 2 HA LEU 35 HA LEU 35 -4.448 -3.477 -5.647 3 HB2 LEU 35 HB2 LEU 35 -3.995 -5.380 -3.348 4 HB3 LEU 35 HB3 LEU 35 -4.534 -5.796 -4.955 5 HG LEU 35 HG LEU 35 -1.790 -5.048 -4.020 6 HD11 LEU 35 HD11 LEU 35 -2.994 -7.269 -5.668 7 HD12 LEU 35 HD12 LEU 35 -1.272 -7.090 -5.361 8 HD13 LEU 35 HD13 LEU 35 -2.386 -7.385 -4.018 9 HD21 LEU 35 HD21 LEU 35 -2.213 -3.612 -5.979 10 HD22 LEU 35 HD22 LEU 35 -1.037 -4.880 -6.327 11 HD23 LEU 35 HD23 LEU 35 -2.694 -5.033 -6.899 No H/Q in entry = 11 In of MODEL 5 1 H LYS 36 H LYS 36 -6.414 -4.750 -5.716 2 HA LYS 36 HA LYS 36 -8.216 -4.544 -3.394 3 HB2 LYS 36 HB2 LYS 36 -9.328 -4.977 -6.132 4 HB3 LYS 36 HB3 LYS 36 -10.045 -4.110 -4.761 5 HG2 LYS 36 HG2 LYS 36 -8.561 -2.227 -5.215 6 HG3 LYS 36 HG3 LYS 36 -7.799 -3.101 -6.535 7 HD2 LYS 36 HD2 LYS 36 -9.440 -1.426 -7.333 8 HD3 LYS 36 HD3 LYS 36 -9.846 -3.072 -7.839 9 HE2 LYS 36 HE2 LYS 36 -11.810 -1.684 -7.062 10 HE3 LYS 36 HE3 LYS 36 -11.611 -3.189 -6.164 11 HZ1 LYS 36 HZ1 LYS 36 -10.497 -1.894 -4.417 12 HZ2 LYS 36 HZ2 LYS 36 -10.780 -0.469 -5.290 13 HZ3 LYS 36 HZ3 LYS 36 -12.081 -1.373 -4.685 No H/Q in entry = 13 In of MODEL 5 1 H ASN 37 H ASN 37 -8.206 -6.601 -2.547 2 HA ASN 37 HA ASN 37 -7.815 -8.867 -2.487 3 HB2 ASN 37 HB2 ASN 37 -9.670 -10.068 -3.856 4 HB3 ASN 37 HB3 ASN 37 -10.146 -8.972 -2.564 5 HD21 ASN 37 HD21 ASN 37 -10.787 -6.843 -3.157 6 HD22 ASN 37 HD22 ASN 37 -11.543 -6.528 -4.682 No H/Q in entry = 6 In of MODEL 5 1 H GLY 38 H GLY 38 -5.801 -8.027 -3.858 2 HA2 GLY 38 HA2 GLY 38 -5.239 -10.164 -5.658 3 HA3 GLY 38 HA3 GLY 38 -4.142 -8.879 -5.219 No H/Q in entry = 3 In of MODEL 5 1 H GLU 39 H GLU 39 -6.115 -6.802 -6.202 2 HA GLU 39 HA GLU 39 -5.569 -7.209 -9.057 3 HB2 GLU 39 HB2 GLU 39 -7.988 -7.633 -8.481 4 HB3 GLU 39 HB3 GLU 39 -8.096 -5.977 -7.948 5 HG2 GLU 39 HG2 GLU 39 -7.095 -6.131 -10.638 6 HG3 GLU 39 HG3 GLU 39 -8.680 -6.876 -10.478 No H/Q in entry = 6 In of MODEL 5 1 H ARG 40 H ARG 40 -4.161 -5.720 -9.651 2 HA ARG 40 HA ARG 40 -3.356 -3.560 -8.131 3 HB2 ARG 40 HB2 ARG 40 -2.267 -4.787 -10.228 4 HB3 ARG 40 HB3 ARG 40 -3.074 -3.518 -11.135 5 HG2 ARG 40 HG2 ARG 40 -1.824 -1.811 -10.044 6 HG3 ARG 40 HG3 ARG 40 -1.203 -2.953 -8.872 7 HD2 ARG 40 HD2 ARG 40 -0.480 -3.762 -11.580 8 HD3 ARG 40 HD3 ARG 40 0.097 -2.142 -11.196 9 HE ARG 40 HE ARG 40 1.007 -3.278 -9.095 10 HH11 ARG 40 HH11 ARG 40 0.725 -4.909 -12.185 11 HH12 ARG 40 HH12 ARG 40 2.262 -5.709 -12.032 12 HH21 ARG 40 HH21 ARG 40 3.018 -4.331 -8.887 13 HH22 ARG 40 HH22 ARG 40 3.566 -5.381 -10.172 No H/Q in entry = 13 In of MODEL 5 1 H ILE 41 H ILE 41 -4.301 -1.766 -7.624 2 HA ILE 41 HA ILE 41 -6.762 -0.913 -8.591 3 HB ILE 41 HB ILE 41 -4.694 0.624 -7.012 4 HG12 ILE 41 HG12 ILE 41 -7.131 -0.950 -6.151 5 HG13 ILE 41 HG13 ILE 41 -5.464 -1.500 -5.999 6 HG21 ILE 41 HG21 ILE 41 -7.630 1.221 -7.430 7 HG22 ILE 41 HG22 ILE 41 -6.583 2.046 -6.276 8 HG23 ILE 41 HG23 ILE 41 -6.279 2.192 -8.007 9 HD11 ILE 41 HD11 ILE 41 -6.378 1.015 -4.676 10 HD12 ILE 41 HD12 ILE 41 -6.649 -0.572 -3.953 11 HD13 ILE 41 HD13 ILE 41 -5.000 -0.031 -4.293 No H/Q in entry = 11 In of MODEL 5 1 H GLU 42 H GLU 42 -4.056 1.363 -8.702 2 HA GLU 42 HA GLU 42 -2.813 1.319 -10.963 3 HB2 GLU 42 HB2 GLU 42 -5.563 2.254 -11.794 4 HB3 GLU 42 HB3 GLU 42 -4.118 2.682 -12.682 5 HG2 GLU 42 HG2 GLU 42 -3.731 0.118 -12.801 6 HG3 GLU 42 HG3 GLU 42 -5.455 0.030 -12.402 No H/Q in entry = 6 In of MODEL 5 1 H LYS 43 H LYS 43 -5.002 3.519 -9.213 2 HA LYS 43 HA LYS 43 -3.647 5.851 -10.261 3 HB2 LYS 43 HB2 LYS 43 -5.711 5.798 -8.058 4 HB3 LYS 43 HB3 LYS 43 -5.272 7.151 -9.087 5 HG2 LYS 43 HG2 LYS 43 -6.904 4.724 -9.806 6 HG3 LYS 43 HG3 LYS 43 -7.377 6.420 -9.863 7 HD2 LYS 43 HD2 LYS 43 -5.346 5.075 -11.644 8 HD3 LYS 43 HD3 LYS 43 -6.979 5.558 -12.103 9 HE2 LYS 43 HE2 LYS 43 -6.398 7.905 -11.670 10 HE3 LYS 43 HE3 LYS 43 -4.764 7.414 -11.228 11 HZ1 LYS 43 HZ1 LYS 43 -4.505 6.513 -13.490 12 HZ2 LYS 43 HZ2 LYS 43 -6.038 7.118 -13.894 13 HZ3 LYS 43 HZ3 LYS 43 -4.788 8.184 -13.487 No H/Q in entry = 13 In of MODEL 5 1 H VAL 44 H VAL 44 -1.641 4.669 -9.145 2 HA VAL 44 HA VAL 44 -1.406 5.819 -6.459 3 HB VAL 44 HB VAL 44 -1.436 3.068 -6.975 4 HG11 VAL 44 HG11 VAL 44 1.371 3.963 -6.411 5 HG12 VAL 44 HG12 VAL 44 0.786 2.306 -6.263 6 HG13 VAL 44 HG13 VAL 44 0.813 3.096 -7.842 7 HG21 VAL 44 HG21 VAL 44 -0.378 4.577 -4.598 8 HG22 VAL 44 HG22 VAL 44 -2.052 4.103 -4.888 9 HG23 VAL 44 HG23 VAL 44 -0.822 2.870 -4.609 No H/Q in entry = 9 In of MODEL 5 1 H GLU 45 H GLU 45 0.325 7.048 -6.179 2 HA GLU 45 HA GLU 45 2.635 6.813 -7.944 3 HB2 GLU 45 HB2 GLU 45 0.733 9.126 -7.957 4 HB3 GLU 45 HB3 GLU 45 2.441 9.415 -8.248 5 HG2 GLU 45 HG2 GLU 45 0.788 7.470 -9.836 6 HG3 GLU 45 HG3 GLU 45 1.038 9.155 -10.295 No H/Q in entry = 6 In of MODEL 5 1 H HIS 46 H HIS 46 4.227 6.656 -6.430 2 HA HIS 46 HA HIS 46 4.759 9.128 -5.002 3 HB2 HIS 46 HB2 HIS 46 3.607 7.821 -3.293 4 HB3 HIS 46 HB3 HIS 46 4.638 6.438 -3.618 5 HD2 HIS 46 HD2 HIS 46 5.217 10.127 -2.266 6 HE1 HIS 46 HE1 HIS 46 8.033 7.456 -0.585 7 HE2 HIS 46 HE2 HIS 46 7.370 9.890 -0.839 No H/Q in entry = 7 In of MODEL 5 1 H SER 47 H SER 47 6.885 9.590 -4.912 2 HA SER 47 HA SER 47 8.807 7.431 -4.900 3 HB2 SER 47 HB2 SER 47 10.134 8.694 -6.764 4 HB3 SER 47 HB3 SER 47 8.819 7.612 -7.226 5 HG SER 47 HG SER 47 7.460 9.424 -7.420 No H/Q in entry = 5 In of MODEL 5 1 H ASP 48 H ASP 48 10.251 7.922 -3.287 2 HA ASP 48 HA ASP 48 11.227 10.675 -3.158 3 HB2 ASP 48 HB2 ASP 48 9.812 9.260 -0.942 4 HB3 ASP 48 HB3 ASP 48 11.150 10.327 -0.540 No H/Q in entry = 4 In of MODEL 5 1 H LEU 49 H LEU 49 13.033 9.679 -4.127 2 HA LEU 49 HA LEU 49 15.191 9.727 -2.460 3 HB2 LEU 49 HB2 LEU 49 15.705 7.681 -1.717 4 HB3 LEU 49 HB3 LEU 49 14.043 7.244 -2.103 5 HG LEU 49 HG LEU 49 16.155 6.973 -4.232 6 HD11 LEU 49 HD11 LEU 49 15.674 4.893 -2.082 7 HD12 LEU 49 HD12 LEU 49 16.580 4.648 -3.571 8 HD13 LEU 49 HD13 LEU 49 17.176 5.783 -2.363 9 HD21 LEU 49 HD21 LEU 49 13.615 5.474 -3.605 10 HD22 LEU 49 HD22 LEU 49 13.858 6.672 -4.881 11 HD23 LEU 49 HD23 LEU 49 14.701 5.125 -4.954 No H/Q in entry = 11 In of MODEL 5 1 H SER 50 H SER 50 17.078 9.861 -3.658 2 HA SER 50 HA SER 50 16.848 9.345 -6.532 3 HB2 SER 50 HB2 SER 50 19.158 10.617 -5.041 4 HB3 SER 50 HB3 SER 50 18.836 10.686 -6.774 5 HG SER 50 HG SER 50 16.931 11.879 -6.287 No H/Q in entry = 5 In of MODEL 5 1 H PHE 51 H PHE 51 19.312 8.880 -4.024 2 HA PHE 51 HA PHE 51 19.199 6.010 -4.388 3 HB2 PHE 51 HB2 PHE 51 20.844 6.700 -6.094 4 HB3 PHE 51 HB3 PHE 51 21.785 7.524 -4.853 5 HD1 PHE 51 HD1 PHE 51 23.537 6.402 -3.868 6 HD2 PHE 51 HD2 PHE 51 20.381 4.159 -5.631 7 HE1 PHE 51 HE1 PHE 51 24.768 4.320 -3.414 8 HE2 PHE 51 HE2 PHE 51 21.604 2.074 -5.181 9 HZ PHE 51 HZ PHE 51 23.801 2.154 -4.071 No H/Q in entry = 9 In of MODEL 5 1 H SER 52 H SER 52 20.066 4.875 -2.609 2 HA SER 52 HA SER 52 21.471 6.205 -0.519 3 HB2 SER 52 HB2 SER 52 19.643 5.832 1.206 4 HB3 SER 52 HB3 SER 52 19.357 7.146 0.064 5 HG SER 52 HG SER 52 17.494 6.053 0.016 No H/Q in entry = 5 In of MODEL 5 1 H LYS 53 H LYS 53 19.053 3.606 -0.516 2 HA LYS 53 HA LYS 53 19.114 1.458 0.187 3 HB2 LYS 53 HB2 LYS 53 21.964 1.581 -0.817 4 HB3 LYS 53 HB3 LYS 53 21.138 0.105 -0.340 5 HG2 LYS 53 HG2 LYS 53 19.422 0.622 -2.104 6 HG3 LYS 53 HG3 LYS 53 20.498 1.909 -2.657 7 HD2 LYS 53 HD2 LYS 53 22.268 0.279 -3.047 8 HD3 LYS 53 HD3 LYS 53 21.221 -1.015 -2.458 9 HE2 LYS 53 HE2 LYS 53 19.612 -0.406 -4.286 10 HE3 LYS 53 HE3 LYS 53 20.847 0.677 -4.923 11 HZ1 LYS 53 HZ1 LYS 53 21.202 -2.246 -4.531 12 HZ2 LYS 53 HZ2 LYS 53 20.819 -1.513 -6.009 13 HZ3 LYS 53 HZ3 LYS 53 22.305 -1.190 -5.262 No H/Q in entry = 13 In of MODEL 5 1 H ASP 54 H ASP 54 18.795 2.211 2.307 2 HA ASP 54 HA ASP 54 20.662 1.428 4.259 3 HB2 ASP 54 HB2 ASP 54 21.802 3.530 3.475 4 HB3 ASP 54 HB3 ASP 54 20.379 4.438 3.975 No H/Q in entry = 4 In of MODEL 5 1 H TRP 55 H TRP 55 18.372 4.107 3.869 2 HA TRP 55 HA TRP 55 16.665 2.866 5.918 3 HB2 TRP 55 HB2 TRP 55 15.706 5.211 6.176 4 HB3 TRP 55 HB3 TRP 55 17.312 4.931 6.824 5 HD1 TRP 55 HD1 TRP 55 18.608 7.076 6.594 6 HE1 TRP 55 HE1 TRP 55 19.002 8.823 4.765 7 HE3 TRP 55 HE3 TRP 55 15.447 5.274 2.886 8 HZ2 TRP 55 HZ2 TRP 55 18.155 9.404 2.167 9 HZ3 TRP 55 HZ3 TRP 55 15.340 6.518 0.777 10 HH2 TRP 55 HH2 TRP 55 16.658 8.535 0.418 No H/Q in entry = 10 In of MODEL 5 1 H SER 56 H SER 56 14.331 3.736 5.680 2 HA SER 56 HA SER 56 13.652 4.283 2.860 3 HB2 SER 56 HB2 SER 56 11.432 3.483 4.649 4 HB3 SER 56 HB3 SER 56 11.799 2.959 3.009 5 HG SER 56 HG SER 56 13.320 1.527 3.831 No H/Q in entry = 5 In of MODEL 5 1 H PHE 57 H PHE 57 14.179 5.437 5.861 2 HA PHE 57 HA PHE 57 13.296 6.740 7.402 3 HB2 PHE 57 HB2 PHE 57 12.589 9.055 6.686 4 HB3 PHE 57 HB3 PHE 57 14.222 8.544 6.307 5 HD1 PHE 57 HD1 PHE 57 15.007 8.496 4.112 6 HD2 PHE 57 HD2 PHE 57 10.899 9.286 4.862 7 HE1 PHE 57 HE1 PHE 57 14.750 9.285 1.807 8 HE2 PHE 57 HE2 PHE 57 10.621 10.060 2.541 9 HZ PHE 57 HZ PHE 57 12.550 10.063 1.008 No H/Q in entry = 9 In of MODEL 5 1 H TYR 58 H TYR 58 10.829 7.683 4.996 2 HA TYR 58 HA TYR 58 9.052 5.707 6.150 3 HB2 TYR 58 HB2 TYR 58 8.818 8.577 6.623 4 HB3 TYR 58 HB3 TYR 58 7.355 7.919 5.896 5 HD1 TYR 58 HD1 TYR 58 9.111 8.390 8.960 6 HD2 TYR 58 HD2 TYR 58 6.419 5.736 6.994 7 HE1 TYR 58 HE1 TYR 58 8.424 7.466 11.152 8 HE2 TYR 58 HE2 TYR 58 5.725 4.810 9.177 9 HH TYR 58 HH TYR 58 6.462 6.298 12.110 No H/Q in entry = 9 In of MODEL 5 1 H LEU 59 H LEU 59 8.387 4.537 4.508 2 HA LEU 59 HA LEU 59 8.063 5.727 1.821 3 HB2 LEU 59 HB2 LEU 59 8.666 3.011 2.893 4 HB3 LEU 59 HB3 LEU 59 7.686 3.086 1.448 5 HG LEU 59 HG LEU 59 10.411 4.385 1.616 6 HD11 LEU 59 HD11 LEU 59 9.654 1.579 0.808 7 HD12 LEU 59 HD12 LEU 59 11.171 2.352 0.349 8 HD13 LEU 59 HD13 LEU 59 10.801 2.076 2.050 9 HD21 LEU 59 HD21 LEU 59 8.575 3.594 -0.646 10 HD22 LEU 59 HD22 LEU 59 9.074 5.223 -0.202 11 HD23 LEU 59 HD23 LEU 59 10.252 4.099 -0.874 No H/Q in entry = 11 In of MODEL 5 1 H LEU 60 H LEU 60 6.033 6.201 1.237 2 HA LEU 60 HA LEU 60 3.822 4.467 1.968 3 HB2 LEU 60 HB2 LEU 60 3.774 6.009 3.786 4 HB3 LEU 60 HB3 LEU 60 4.093 7.363 2.725 5 HG LEU 60 HG LEU 60 1.855 7.139 1.746 6 HD11 LEU 60 HD11 LEU 60 1.506 4.955 3.787 7 HD12 LEU 60 HD12 LEU 60 0.218 5.656 2.808 8 HD13 LEU 60 HD13 LEU 60 1.527 4.763 2.035 9 HD21 LEU 60 HD21 LEU 60 1.896 7.325 4.754 10 HD22 LEU 60 HD22 LEU 60 2.180 8.644 3.618 11 HD23 LEU 60 HD23 LEU 60 0.590 7.887 3.710 No H/Q in entry = 11 In of MODEL 5 1 H TYR 61 H TYR 61 2.149 4.581 0.488 2 HA TYR 61 HA TYR 61 2.565 6.356 -1.817 3 HB2 TYR 61 HB2 TYR 61 1.846 3.397 -1.794 4 HB3 TYR 61 HB3 TYR 61 1.634 4.417 -3.223 5 HD1 TYR 61 HD1 TYR 61 4.266 3.330 -0.791 6 HD2 TYR 61 HD2 TYR 61 3.405 4.698 -4.723 7 HE1 TYR 61 HE1 TYR 61 6.613 2.947 -1.449 8 HE2 TYR 61 HE2 TYR 61 5.736 4.310 -5.385 9 HH TYR 61 HH TYR 61 7.929 4.142 -4.331 No H/Q in entry = 9 In of MODEL 5 1 H TYR 62 H TYR 62 0.459 6.722 -3.066 2 HA TYR 62 HA TYR 62 -1.820 6.402 -1.274 3 HB2 TYR 62 HB2 TYR 62 -2.517 8.787 -1.726 4 HB3 TYR 62 HB3 TYR 62 -1.177 8.547 -0.620 5 HD1 TYR 62 HD1 TYR 62 0.850 9.680 -0.959 6 HD2 TYR 62 HD2 TYR 62 -1.963 9.485 -4.148 7 HE1 TYR 62 HE1 TYR 62 2.175 11.327 -2.226 8 HE2 TYR 62 HE2 TYR 62 -0.643 11.118 -5.424 9 HH TYR 62 HH TYR 62 2.522 12.015 -4.542 No H/Q in entry = 9 In of MODEL 5 1 H THR 63 H THR 63 -3.756 6.033 -2.238 2 HA THR 63 HA THR 63 -4.145 6.723 -5.046 3 HB THR 63 HB THR 63 -3.393 4.286 -4.963 4 HG1 THR 63 HG1 THR 63 -6.060 4.688 -5.893 5 HG21 THR 63 HG21 THR 63 -6.035 4.001 -3.549 6 HG22 THR 63 HG22 THR 63 -5.222 2.668 -4.366 7 HG23 THR 63 HG23 THR 63 -4.458 3.457 -2.992 No H/Q in entry = 7 In of MODEL 5 1 H GLU 64 H GLU 64 -6.258 7.187 -5.545 2 HA GLU 64 HA GLU 64 -8.079 7.900 -3.534 3 HB2 GLU 64 HB2 GLU 64 -7.859 8.415 -6.183 4 HB3 GLU 64 HB3 GLU 64 -9.126 7.196 -6.227 5 HG2 GLU 64 HG2 GLU 64 -10.306 9.188 -6.133 6 HG3 GLU 64 HG3 GLU 64 -10.307 8.629 -4.459 No H/Q in entry = 6 In of MODEL 5 1 H PHE 65 H PHE 65 -9.720 6.723 -2.507 2 HA PHE 65 HA PHE 65 -10.465 4.183 -3.759 3 HB2 PHE 65 HB2 PHE 65 -10.329 2.954 -1.748 4 HB3 PHE 65 HB3 PHE 65 -8.846 3.873 -1.871 5 HD1 PHE 65 HD1 PHE 65 -8.017 4.535 0.114 6 HD2 PHE 65 HD2 PHE 65 -12.230 4.527 -0.416 7 HE1 PHE 65 HE1 PHE 65 -8.313 5.337 2.431 8 HE2 PHE 65 HE2 PHE 65 -12.523 5.339 1.887 9 HZ PHE 65 HZ PHE 65 -10.579 5.736 3.318 No H/Q in entry = 9 In of MODEL 5 1 H THR 66 H THR 66 -12.578 3.455 -3.340 2 HA THR 66 HA THR 66 -14.222 5.058 -1.508 3 HB THR 66 HB THR 66 -15.121 4.169 -4.277 4 HG1 THR 66 HG1 THR 66 -13.815 6.419 -3.367 5 HG21 THR 66 HG21 THR 66 -16.464 5.836 -2.135 6 HG22 THR 66 HG22 THR 66 -17.042 5.687 -3.798 7 HG23 THR 66 HG23 THR 66 -16.983 4.267 -2.757 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 67 HA PRO 67 -14.808 0.720 -0.370 2 HB2 PRO 67 HB2 PRO 67 -16.179 1.356 2.011 3 HB3 PRO 67 HB3 PRO 67 -14.475 0.937 1.852 4 HG2 PRO 67 HG2 PRO 67 -15.574 3.481 2.530 5 HG3 PRO 67 HG3 PRO 67 -13.873 3.060 2.280 6 HD2 PRO 67 HD2 PRO 67 -15.695 4.521 0.540 7 HD3 PRO 67 HD3 PRO 67 -13.928 4.385 0.457 No H/Q in entry = 7 In of MODEL 5 1 H THR 68 H THR 68 -16.275 -0.643 -0.649 2 HA THR 68 HA THR 68 -19.118 0.097 -0.729 3 HB THR 68 HB THR 68 -19.376 -1.524 -2.593 4 HG1 THR 68 HG1 THR 68 -17.015 -1.966 -3.495 5 HG21 THR 68 HG21 THR 68 -18.931 0.841 -3.135 6 HG22 THR 68 HG22 THR 68 -17.202 0.493 -3.165 7 HG23 THR 68 HG23 THR 68 -18.272 -0.257 -4.351 No H/Q in entry = 7 In of MODEL 5 1 H GLU 69 H GLU 69 -20.499 -1.929 -0.271 2 HA GLU 69 HA GLU 69 -19.525 -3.454 1.845 3 HB2 GLU 69 HB2 GLU 69 -21.853 -3.370 1.663 4 HB3 GLU 69 HB3 GLU 69 -21.860 -3.709 -0.051 5 HG2 GLU 69 HG2 GLU 69 -20.948 -6.054 0.791 6 HG3 GLU 69 HG3 GLU 69 -21.822 -5.586 2.253 No H/Q in entry = 6 In of MODEL 5 1 H LYS 70 H LYS 70 -18.489 -3.672 -1.363 2 HA LYS 70 HA LYS 70 -17.979 -6.548 -1.096 3 HB2 LYS 70 HB2 LYS 70 -18.389 -4.916 -3.583 4 HB3 LYS 70 HB3 LYS 70 -17.847 -6.586 -3.593 5 HG2 LYS 70 HG2 LYS 70 -20.421 -5.791 -2.257 6 HG3 LYS 70 HG3 LYS 70 -20.332 -6.095 -3.989 7 HD2 LYS 70 HD2 LYS 70 -21.049 -8.118 -2.989 8 HD3 LYS 70 HD3 LYS 70 -19.371 -8.359 -3.453 9 HE2 LYS 70 HE2 LYS 70 -19.955 -7.437 -0.686 10 HE3 LYS 70 HE3 LYS 70 -20.299 -9.114 -1.094 11 HZ1 LYS 70 HZ1 LYS 70 -17.988 -9.363 -1.804 12 HZ2 LYS 70 HZ2 LYS 70 -17.669 -7.762 -1.368 13 HZ3 LYS 70 HZ3 LYS 70 -18.086 -8.887 -0.180 No H/Q in entry = 13 In of MODEL 5 1 H ASP 71 H ASP 71 -16.225 -3.521 -1.802 2 HA ASP 71 HA ASP 71 -14.117 -5.105 -3.042 3 HB2 ASP 71 HB2 ASP 71 -14.361 -2.096 -2.831 4 HB3 ASP 71 HB3 ASP 71 -13.143 -2.972 -3.736 No H/Q in entry = 4 In of MODEL 5 1 H GLU 72 H GLU 72 -12.322 -5.620 -2.077 2 HA GLU 72 HA GLU 72 -11.673 -4.714 0.657 3 HB2 GLU 72 HB2 GLU 72 -11.834 -7.129 0.245 4 HB3 GLU 72 HB3 GLU 72 -10.658 -7.015 -1.052 5 HG2 GLU 72 HG2 GLU 72 -9.002 -6.213 0.728 6 HG3 GLU 72 HG3 GLU 72 -10.203 -6.738 1.902 No H/Q in entry = 6 In of MODEL 5 1 H TYR 73 H TYR 73 -9.528 -3.930 1.098 2 HA TYR 73 HA TYR 73 -7.946 -3.195 -1.278 3 HB2 TYR 73 HB2 TYR 73 -8.473 -1.542 1.204 4 HB3 TYR 73 HB3 TYR 73 -7.235 -1.143 0.023 5 HD1 TYR 73 HD1 TYR 73 -10.890 -1.657 0.426 6 HD2 TYR 73 HD2 TYR 73 -7.784 0.069 -1.918 7 HE1 TYR 73 HE1 TYR 73 -12.570 -0.442 -0.923 8 HE2 TYR 73 HE2 TYR 73 -9.458 1.280 -3.252 9 HH TYR 73 HH TYR 73 -12.780 1.432 -2.352 No H/Q in entry = 9 In of MODEL 5 1 H ALA 74 H ALA 74 -5.838 -3.698 -1.297 2 HA ALA 74 HA ALA 74 -4.572 -4.639 1.184 3 HB1 ALA 74 HB1 ALA 74 -5.473 -6.559 -0.058 4 HB2 ALA 74 HB2 ALA 74 -3.715 -6.582 0.005 5 HB3 ALA 74 HB3 ALA 74 -4.537 -6.071 -1.472 No H/Q in entry = 5 In of MODEL 5 1 H CYS 75 H CYS 75 -2.181 -4.699 1.060 2 HA CYS 75 HA CYS 75 -1.104 -3.211 -1.254 3 HB2 CYS 75 HB2 CYS 75 -1.058 -1.722 0.625 4 HB3 CYS 75 HB3 CYS 75 -0.306 -2.942 1.642 No H/Q in entry = 4 In of MODEL 5 1 H ARG 76 H ARG 76 0.517 -4.190 -2.316 2 HA ARG 76 HA ARG 76 1.549 -6.737 -1.247 3 HB2 ARG 76 HB2 ARG 76 0.235 -6.479 -3.490 4 HB3 ARG 76 HB3 ARG 76 1.749 -5.836 -4.113 5 HG2 ARG 76 HG2 ARG 76 2.820 -7.890 -3.924 6 HG3 ARG 76 HG3 ARG 76 1.660 -8.512 -2.750 7 HD2 ARG 76 HD2 ARG 76 1.315 -9.604 -4.923 8 HD3 ARG 76 HD3 ARG 76 -0.068 -8.583 -4.513 9 HE ARG 76 HE ARG 76 1.864 -7.190 -6.102 10 HH11 ARG 76 HH11 ARG 76 -0.807 -9.470 -6.247 11 HH12 ARG 76 HH12 ARG 76 -1.155 -9.140 -7.921 12 HH21 ARG 76 HH21 ARG 76 1.396 -6.743 -8.264 13 HH22 ARG 76 HH22 ARG 76 0.084 -7.557 -9.067 No H/Q in entry = 13 In of MODEL 5 1 H VAL 77 H VAL 77 3.705 -6.828 -0.706 2 HA VAL 77 HA VAL 77 5.490 -4.944 -2.090 3 HB VAL 77 HB VAL 77 4.919 -4.292 0.362 4 HG11 VAL 77 HG11 VAL 77 6.957 -6.462 0.834 5 HG12 VAL 77 HG12 VAL 77 6.414 -5.285 2.032 6 HG13 VAL 77 HG13 VAL 77 5.277 -6.473 1.374 7 HG21 VAL 77 HG21 VAL 77 6.625 -3.225 -1.025 8 HG22 VAL 77 HG22 VAL 77 7.158 -3.372 0.649 9 HG23 VAL 77 HG23 VAL 77 7.778 -4.480 -0.573 No H/Q in entry = 9 In of MODEL 5 1 H ASN 78 H ASN 78 7.376 -5.631 -2.687 2 HA ASN 78 HA ASN 78 8.319 -8.301 -1.848 3 HB2 ASN 78 HB2 ASN 78 7.233 -8.383 -4.113 4 HB3 ASN 78 HB3 ASN 78 8.483 -7.286 -4.694 5 HD21 ASN 78 HD21 ASN 78 9.260 -8.773 -6.162 6 HD22 ASN 78 HD22 ASN 78 10.145 -10.183 -5.685 No H/Q in entry = 6 In of MODEL 5 1 H HIS 79 H HIS 79 10.451 -8.580 -1.607 2 HA HIS 79 HA HIS 79 12.292 -6.468 -2.414 3 HB2 HIS 79 HB2 HIS 79 11.676 -6.053 -0.010 4 HB3 HIS 79 HB3 HIS 79 12.270 -7.653 0.381 5 HD2 HIS 79 HD2 HIS 79 13.652 -4.114 -0.426 6 HE1 HIS 79 HE1 HIS 79 16.831 -6.640 0.757 7 HE2 HIS 79 HE2 HIS 79 16.196 -4.301 0.035 No H/Q in entry = 7 In of MODEL 5 1 H VAL 80 H VAL 80 14.544 -7.258 -2.399 2 HA VAL 80 HA VAL 80 14.945 -9.603 -3.745 3 HB VAL 80 HB VAL 80 16.927 -8.407 -1.796 4 HG11 VAL 80 HG11 VAL 80 17.357 -10.166 -4.216 5 HG12 VAL 80 HG12 VAL 80 18.632 -9.408 -3.261 6 HG13 VAL 80 HG13 VAL 80 17.591 -10.630 -2.530 7 HG21 VAL 80 HG21 VAL 80 16.427 -7.778 -4.705 8 HG22 VAL 80 HG22 VAL 80 16.148 -6.710 -3.329 9 HG23 VAL 80 HG23 VAL 80 17.791 -7.183 -3.759 No H/Q in entry = 9 In of MODEL 5 1 H THR 81 H THR 81 14.809 -9.196 -0.227 2 HA THR 81 HA THR 81 15.829 -11.815 0.345 3 HB THR 81 HB THR 81 16.094 -10.183 2.073 4 HG1 THR 81 HG1 THR 81 14.735 -12.478 2.528 5 HG21 THR 81 HG21 THR 81 13.080 -9.906 2.115 6 HG22 THR 81 HG22 THR 81 14.202 -9.134 3.238 7 HG23 THR 81 HG23 THR 81 14.227 -8.701 1.530 No H/Q in entry = 7 In of MODEL 5 1 H LEU 82 H LEU 82 12.486 -10.482 0.536 2 HA LEU 82 HA LEU 82 11.217 -12.876 1.148 3 HB2 LEU 82 HB2 LEU 82 9.975 -10.865 -0.720 4 HB3 LEU 82 HB3 LEU 82 9.172 -11.962 0.394 5 HG LEU 82 HG LEU 82 10.926 -9.712 1.350 6 HD11 LEU 82 HD11 LEU 82 7.965 -9.696 0.846 7 HD12 LEU 82 HD12 LEU 82 8.835 -8.480 1.771 8 HD13 LEU 82 HD13 LEU 82 9.183 -8.704 0.058 9 HD21 LEU 82 HD21 LEU 82 10.519 -11.514 2.942 10 HD22 LEU 82 HD22 LEU 82 9.690 -10.037 3.431 11 HD23 LEU 82 HD23 LEU 82 8.782 -11.351 2.686 No H/Q in entry = 11 In of MODEL 5 1 H SER 83 H SER 83 11.915 -11.511 -2.043 2 HA SER 83 HA SER 83 12.136 -12.439 -4.103 3 HB2 SER 83 HB2 SER 83 11.773 -15.138 -2.779 4 HB3 SER 83 HB3 SER 83 12.414 -14.834 -4.393 5 HG SER 83 HG SER 83 13.782 -13.395 -2.580 No H/Q in entry = 5 In of MODEL 5 1 H GLN 84 H GLN 84 9.531 -13.458 -2.057 2 HA GLN 84 HA GLN 84 7.711 -13.292 -4.355 3 HB2 GLN 84 HB2 GLN 84 6.271 -15.018 -3.352 4 HB3 GLN 84 HB3 GLN 84 7.875 -15.649 -3.682 5 HG2 GLN 84 HG2 GLN 84 8.436 -15.500 -1.305 6 HG3 GLN 84 HG3 GLN 84 6.862 -14.772 -0.968 7 HE21 GLN 84 HE21 GLN 84 5.022 -16.060 -1.062 8 HE22 GLN 84 HE22 GLN 84 5.110 -17.790 -1.030 No H/Q in entry = 8 In of MODEL 5 1 HA PRO 85 HA PRO 85 6.270 -10.015 -1.654 2 HB2 PRO 85 HB2 PRO 85 4.148 -9.187 -3.132 3 HB3 PRO 85 HB3 PRO 85 5.817 -8.700 -3.448 4 HG2 PRO 85 HG2 PRO 85 4.165 -10.803 -4.804 5 HG3 PRO 85 HG3 PRO 85 5.315 -9.644 -5.514 6 HD2 PRO 85 HD2 PRO 85 5.967 -12.279 -5.063 7 HD3 PRO 85 HD3 PRO 85 7.176 -10.953 -4.970 No H/Q in entry = 7 In of MODEL 5 1 H LYS 86 H LYS 86 4.499 -9.537 -0.349 2 HA LYS 86 HA LYS 86 2.415 -11.577 -0.258 3 HB2 LYS 86 HB2 LYS 86 2.673 -10.690 2.371 4 HB3 LYS 86 HB3 LYS 86 3.121 -12.255 1.728 5 HG2 LYS 86 HG2 LYS 86 5.089 -10.028 1.589 6 HG3 LYS 86 HG3 LYS 86 4.846 -10.930 3.084 7 HD2 LYS 86 HD2 LYS 86 5.298 -12.314 0.466 8 HD3 LYS 86 HD3 LYS 86 6.642 -11.783 1.468 9 HE2 LYS 86 HE2 LYS 86 6.263 -14.070 1.985 10 HE3 LYS 86 HE3 LYS 86 5.652 -13.132 3.344 11 HZ1 LYS 86 HZ1 LYS 86 3.902 -14.128 1.162 12 HZ2 LYS 86 HZ2 LYS 86 4.213 -15.010 2.574 13 HZ3 LYS 86 HZ3 LYS 86 3.435 -13.510 2.674 No H/Q in entry = 13 In of MODEL 5 1 H ILE 87 H ILE 87 0.464 -10.925 0.815 2 HA ILE 87 HA ILE 87 -0.181 -8.128 0.161 3 HB ILE 87 HB ILE 87 -1.644 -10.604 -0.390 4 HG12 ILE 87 HG12 ILE 87 -1.010 -9.319 -2.248 5 HG13 ILE 87 HG13 ILE 87 -2.729 -8.974 -2.074 6 HG21 ILE 87 HG21 ILE 87 -3.144 -8.254 0.733 7 HG22 ILE 87 HG22 ILE 87 -3.885 -9.543 -0.218 8 HG23 ILE 87 HG23 ILE 87 -3.133 -9.913 1.335 9 HD11 ILE 87 HD11 ILE 87 -0.516 -7.228 -1.060 10 HD12 ILE 87 HD12 ILE 87 -1.425 -6.977 -2.547 11 HD13 ILE 87 HD13 ILE 87 -2.243 -6.893 -0.992 No H/Q in entry = 11 In of MODEL 5 1 H VAL 88 H VAL 88 -0.983 -6.782 1.616 2 HA VAL 88 HA VAL 88 -1.859 -7.869 4.211 3 HB VAL 88 HB VAL 88 0.132 -6.489 4.488 4 HG11 VAL 88 HG11 VAL 88 -1.395 -4.302 3.120 5 HG12 VAL 88 HG12 VAL 88 0.147 -4.104 3.955 6 HG13 VAL 88 HG13 VAL 88 0.048 -5.120 2.513 7 HG21 VAL 88 HG21 VAL 88 -2.429 -5.266 5.439 8 HG22 VAL 88 HG22 VAL 88 -1.346 -6.347 6.313 9 HG23 VAL 88 HG23 VAL 88 -0.847 -4.686 5.967 No H/Q in entry = 9 In of MODEL 5 1 H LYS 89 H LYS 89 -4.031 -7.631 4.522 2 HA LYS 89 HA LYS 89 -5.355 -5.731 2.735 3 HB2 LYS 89 HB2 LYS 89 -6.520 -8.182 4.050 4 HB3 LYS 89 HB3 LYS 89 -7.333 -7.112 2.909 5 HG2 LYS 89 HG2 LYS 89 -6.052 -7.821 1.129 6 HG3 LYS 89 HG3 LYS 89 -4.790 -8.468 2.172 7 HD2 LYS 89 HD2 LYS 89 -7.561 -9.587 2.084 8 HD3 LYS 89 HD3 LYS 89 -6.275 -10.160 1.026 9 HE2 LYS 89 HE2 LYS 89 -4.944 -10.647 3.111 10 HE3 LYS 89 HE3 LYS 89 -6.410 -10.298 4.032 11 HZ1 LYS 89 HZ1 LYS 89 -7.517 -12.033 2.628 12 HZ2 LYS 89 HZ2 LYS 89 -5.979 -12.464 2.056 13 HZ3 LYS 89 HZ3 LYS 89 -6.352 -12.618 3.707 No H/Q in entry = 13 In of MODEL 5 1 H TRP 90 H TRP 90 -6.911 -4.377 3.493 2 HA TRP 90 HA TRP 90 -6.386 -3.488 6.165 3 HB2 TRP 90 HB2 TRP 90 -6.577 -1.852 4.353 4 HB3 TRP 90 HB3 TRP 90 -8.216 -2.396 4.017 5 HD1 TRP 90 HD1 TRP 90 -6.648 -1.222 7.413 6 HE1 TRP 90 HE1 TRP 90 -8.085 0.666 8.333 7 HE3 TRP 90 HE3 TRP 90 -10.042 -0.803 3.547 8 HZ2 TRP 90 HZ2 TRP 90 -10.393 2.092 7.601 9 HZ3 TRP 90 HZ3 TRP 90 -11.827 0.860 3.751 10 HH2 TRP 90 HH2 TRP 90 -12.005 2.303 5.715 No H/Q in entry = 10 In of MODEL 5 1 H ASP 91 H ASP 91 -7.567 -3.683 7.919 2 HA ASP 91 HA ASP 91 -9.614 -5.699 8.020 3 HB2 ASP 91 HB2 ASP 91 -8.504 -5.685 10.083 4 HB3 ASP 91 HB3 ASP 91 -8.331 -3.925 10.088 No H/Q in entry = 4 In of MODEL 5 1 H ARG 92 H ARG 92 -11.423 -5.199 6.887 2 HA ARG 92 HA ARG 92 -13.266 -3.428 8.151 3 HB2 ARG 92 HB2 ARG 92 -13.406 -1.650 6.664 4 HB3 ARG 92 HB3 ARG 92 -11.689 -2.013 6.565 5 HG2 ARG 92 HG2 ARG 92 -12.213 -1.785 4.344 6 HG3 ARG 92 HG3 ARG 92 -12.355 -3.533 4.541 7 HD2 ARG 92 HD2 ARG 92 -14.827 -3.180 4.899 8 HD3 ARG 92 HD3 ARG 92 -14.591 -1.494 4.411 9 HE ARG 92 HE ARG 92 -13.523 -2.880 2.360 10 HH11 ARG 92 HH11 ARG 92 -16.596 -2.969 4.026 11 HH12 ARG 92 HH12 ARG 92 -17.442 -3.677 2.690 12 HH21 ARG 92 HH21 ARG 92 -14.636 -3.854 0.605 13 HH22 ARG 92 HH22 ARG 92 -16.334 -4.176 0.752 No H/Q in entry = 13 In of MODEL 5 1 H ASP 93 H ASP 93 -12.513 -6.007 6.205 2 HA ASP 93 HA ASP 93 -15.108 -6.968 5.794 3 HB2 ASP 93 HB2 ASP 93 -15.030 -4.980 4.170 4 HB3 ASP 93 HB3 ASP 93 -13.932 -5.979 3.219 No H/Q in entry = 4 In of MODEL 5 1 HA MET 94 HA MET 94 -11.260 -9.010 3.565 2 HB2 MET 94 HB2 MET 94 -9.529 -10.055 5.330 3 HB3 MET 94 HB3 MET 94 -9.284 -8.510 4.522 4 HG2 MET 94 HG2 MET 94 -8.835 -8.589 7.022 5 HG3 MET 94 HG3 MET 94 -9.859 -7.268 6.445 6 HE1 MET 94 HE1 MET 94 -9.399 -8.656 9.464 7 HE2 MET 94 HE2 MET 94 -10.253 -7.134 9.211 8 HE3 MET 94 HE3 MET 94 -11.023 -8.437 10.116 No H/Q in entry = 8 In of MODEL 6 1 HA MET 1 HA MET 1 5.941 -6.103 8.968 2 HB2 MET 1 HB2 MET 1 7.428 -6.470 7.026 3 HB3 MET 1 HB3 MET 1 7.088 -7.952 7.908 4 HG2 MET 1 HG2 MET 1 5.469 -8.605 6.225 5 HG3 MET 1 HG3 MET 1 5.752 -7.101 5.353 6 HE1 MET 1 HE1 MET 1 7.279 -10.497 6.534 7 HE2 MET 1 HE2 MET 1 8.896 -10.450 5.833 8 HE3 MET 1 HE3 MET 1 8.473 -9.357 7.152 No H/Q in entry = 8 In of MODEL 6 1 H ILE 2 H ILE 2 3.652 -6.467 6.322 2 HA ILE 2 HA ILE 2 3.832 -3.582 5.807 3 HB ILE 2 HB ILE 2 1.714 -5.202 4.458 4 HG12 ILE 2 HG12 ILE 2 4.517 -5.324 3.349 5 HG13 ILE 2 HG13 ILE 2 3.829 -6.610 4.344 6 HG21 ILE 2 HG21 ILE 2 2.015 -2.776 4.037 7 HG22 ILE 2 HG22 ILE 2 3.602 -3.130 3.334 8 HG23 ILE 2 HG23 ILE 2 2.141 -3.764 2.581 9 HD11 ILE 2 HD11 ILE 2 2.558 -5.630 1.795 10 HD12 ILE 2 HD12 ILE 2 3.670 -6.993 1.872 11 HD13 ILE 2 HD13 ILE 2 2.130 -7.066 2.724 No H/Q in entry = 11 In of MODEL 6 1 H GLN 3 H GLN 3 2.377 -2.254 6.763 2 HA GLN 3 HA GLN 3 -0.088 -3.490 7.786 3 HB2 GLN 3 HB2 GLN 3 1.612 -1.357 9.087 4 HB3 GLN 3 HB3 GLN 3 -0.021 -1.773 9.622 5 HG2 GLN 3 HG2 GLN 3 0.680 -4.038 10.162 6 HG3 GLN 3 HG3 GLN 3 2.313 -3.691 9.538 7 HE21 GLN 3 HE21 GLN 3 3.698 -2.402 10.730 8 HE22 GLN 3 HE22 GLN 3 3.402 -2.023 12.394 No H/Q in entry = 8 In of MODEL 6 1 H VAL 4 H VAL 4 -1.711 -2.798 6.579 2 HA VAL 4 HA VAL 4 -1.580 -0.153 5.386 3 HB VAL 4 HB VAL 4 -3.829 -0.866 4.335 4 HG11 VAL 4 HG11 VAL 4 -1.329 -2.435 3.708 5 HG12 VAL 4 HG12 VAL 4 -2.711 -2.227 2.633 6 HG13 VAL 4 HG13 VAL 4 -1.733 -0.832 3.095 7 HG21 VAL 4 HG21 VAL 4 -4.341 -2.657 5.907 8 HG22 VAL 4 HG22 VAL 4 -4.238 -3.274 4.256 9 HG23 VAL 4 HG23 VAL 4 -2.907 -3.539 5.382 No H/Q in entry = 9 In of MODEL 6 1 H TYR 5 H TYR 5 -3.107 1.385 5.607 2 HA TYR 5 HA TYR 5 -5.087 1.282 7.720 3 HB2 TYR 5 HB2 TYR 5 -2.700 3.155 7.807 4 HB3 TYR 5 HB3 TYR 5 -4.175 3.434 8.720 5 HD1 TYR 5 HD1 TYR 5 -4.732 0.709 9.803 6 HD2 TYR 5 HD2 TYR 5 -1.039 2.794 9.381 7 HE1 TYR 5 HE1 TYR 5 -3.781 -0.594 11.673 8 HE2 TYR 5 HE2 TYR 5 -0.086 1.499 11.247 9 HH TYR 5 HH TYR 5 -1.538 -1.290 12.456 No H/Q in entry = 9 In of MODEL 6 1 H SER 6 H SER 6 -5.980 3.732 7.808 2 HA SER 6 HA SER 6 -5.737 4.912 5.118 3 HB2 SER 6 HB2 SER 6 -8.288 4.745 6.760 4 HB3 SER 6 HB3 SER 6 -8.106 5.550 5.198 5 HG SER 6 HG SER 6 -7.272 2.916 5.280 No H/Q in entry = 5 In of MODEL 6 1 H ARG 7 H ARG 7 -6.116 7.206 4.994 2 HA ARG 7 HA ARG 7 -5.024 8.669 7.200 3 HB2 ARG 7 HB2 ARG 7 -5.089 9.155 4.558 4 HB3 ARG 7 HB3 ARG 7 -6.496 10.106 5.036 5 HG2 ARG 7 HG2 ARG 7 -3.748 10.420 6.236 6 HG3 ARG 7 HG3 ARG 7 -4.370 11.393 4.904 7 HD2 ARG 7 HD2 ARG 7 -6.090 12.310 6.288 8 HD3 ARG 7 HD3 ARG 7 -5.716 11.187 7.594 9 HE ARG 7 HE ARG 7 -3.957 13.399 6.725 10 HH11 ARG 7 HH11 ARG 7 -5.179 11.212 9.173 11 HH12 ARG 7 HH12 ARG 7 -4.234 11.905 10.454 12 HH21 ARG 7 HH21 ARG 7 -2.723 14.335 8.419 13 HH22 ARG 7 HH22 ARG 7 -2.849 13.683 10.024 No H/Q in entry = 13 In of MODEL 6 1 H HIS 8 H HIS 8 -8.236 7.822 6.199 2 HA HIS 8 HA HIS 8 -9.395 9.620 8.201 3 HB2 HIS 8 HB2 HIS 8 -10.378 9.317 5.348 4 HB3 HIS 8 HB3 HIS 8 -11.218 10.201 6.615 5 HD2 HIS 8 HD2 HIS 8 -9.811 12.559 7.501 6 HE1 HIS 8 HE1 HIS 8 -7.633 12.813 3.880 7 HE2 HIS 8 HE2 HIS 8 -8.445 14.098 5.914 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 9 HA PRO 9 -11.907 6.154 9.338 2 HB2 PRO 9 HB2 PRO 9 -14.340 7.814 9.346 3 HB3 PRO 9 HB3 PRO 9 -13.531 6.994 10.692 4 HG2 PRO 9 HG2 PRO 9 -13.469 9.689 10.426 5 HG3 PRO 9 HG3 PRO 9 -12.076 8.781 11.055 6 HD2 PRO 9 HD2 PRO 9 -12.535 9.888 8.305 7 HD3 PRO 9 HD3 PRO 9 -11.054 9.932 9.293 No H/Q in entry = 7 In of MODEL 6 1 H ALA 10 H ALA 10 -12.996 4.532 8.334 2 HA ALA 10 HA ALA 10 -13.586 4.686 5.589 3 HB1 ALA 10 HB1 ALA 10 -14.387 2.395 5.818 4 HB2 ALA 10 HB2 ALA 10 -12.908 2.619 6.749 5 HB3 ALA 10 HB3 ALA 10 -14.468 2.580 7.569 No H/Q in entry = 5 In of MODEL 6 1 H GLU 11 H GLU 11 -15.262 6.095 4.940 2 HA GLU 11 HA GLU 11 -17.930 5.395 5.984 3 HB2 GLU 11 HB2 GLU 11 -16.939 7.830 6.327 4 HB3 GLU 11 HB3 GLU 11 -17.374 8.030 4.640 5 HG2 GLU 11 HG2 GLU 11 -19.246 7.388 6.906 6 HG3 GLU 11 HG3 GLU 11 -19.074 8.924 6.070 No H/Q in entry = 6 In of MODEL 6 1 H ASN 12 H ASN 12 -18.530 3.896 4.477 2 HA ASN 12 HA ASN 12 -18.066 3.534 1.896 3 HB2 ASN 12 HB2 ASN 12 -19.585 2.064 2.916 4 HB3 ASN 12 HB3 ASN 12 -20.659 3.351 3.445 5 HD21 ASN 12 HD21 ASN 12 -22.211 4.092 2.092 6 HD22 ASN 12 HD22 ASN 12 -22.575 3.382 0.547 No H/Q in entry = 6 In of MODEL 6 1 H GLY 13 H GLY 13 -17.891 4.842 0.208 2 HA2 GLY 13 HA2 GLY 13 -19.982 6.903 -0.214 3 HA3 GLY 13 HA3 GLY 13 -19.098 6.093 -1.494 No H/Q in entry = 3 In of MODEL 6 1 H LYS 14 H LYS 14 -17.052 6.958 1.098 2 HA LYS 14 HA LYS 14 -16.485 9.606 -0.042 3 HB2 LYS 14 HB2 LYS 14 -15.034 8.307 2.261 4 HB3 LYS 14 HB3 LYS 14 -15.048 10.002 1.826 5 HG2 LYS 14 HG2 LYS 14 -17.427 8.488 2.893 6 HG3 LYS 14 HG3 LYS 14 -16.315 9.445 3.854 7 HD2 LYS 14 HD2 LYS 14 -18.217 10.773 3.491 8 HD3 LYS 14 HD3 LYS 14 -16.925 11.445 2.498 9 HE2 LYS 14 HE2 LYS 14 -18.868 11.482 1.163 10 HE3 LYS 14 HE3 LYS 14 -17.908 10.126 0.571 11 HZ1 LYS 14 HZ1 LYS 14 -19.328 8.702 2.081 12 HZ2 LYS 14 HZ2 LYS 14 -20.336 10.050 2.269 13 HZ3 LYS 14 HZ3 LYS 14 -20.120 9.362 0.736 No H/Q in entry = 13 In of MODEL 6 1 H SER 15 H SER 15 -14.652 10.121 -1.144 2 HA SER 15 HA SER 15 -12.724 7.965 -1.590 3 HB2 SER 15 HB2 SER 15 -11.816 9.668 -3.329 4 HB3 SER 15 HB3 SER 15 -13.298 8.778 -3.684 5 HG SER 15 HG SER 15 -12.897 11.486 -3.115 No H/Q in entry = 5 In of MODEL 6 1 H ASN 16 H ASN 16 -10.577 8.209 -1.229 2 HA ASN 16 HA ASN 16 -9.403 10.432 0.117 3 HB2 ASN 16 HB2 ASN 16 -10.007 7.946 1.750 4 HB3 ASN 16 HB3 ASN 16 -8.834 9.164 2.209 5 HD21 ASN 16 HD21 ASN 16 -11.152 8.196 3.571 6 HD22 ASN 16 HD22 ASN 16 -12.195 9.538 3.866 No H/Q in entry = 6 In of MODEL 6 1 H PHE 17 H PHE 17 -7.453 8.662 1.486 2 HA PHE 17 HA PHE 17 -6.254 7.444 -0.906 3 HB2 PHE 17 HB2 PHE 17 -5.030 9.198 1.204 4 HB3 PHE 17 HB3 PHE 17 -4.034 8.092 0.259 5 HD1 PHE 17 HD1 PHE 17 -5.570 8.249 -2.291 6 HD2 PHE 17 HD2 PHE 17 -4.203 11.288 0.349 7 HE1 PHE 17 HE1 PHE 17 -5.515 9.835 -4.174 8 HE2 PHE 17 HE2 PHE 17 -4.142 12.889 -1.521 9 HZ PHE 17 HZ PHE 17 -4.794 12.167 -3.784 No H/Q in entry = 9 In of MODEL 6 1 H LEU 18 H LEU 18 -5.504 5.418 -0.745 2 HA LEU 18 HA LEU 18 -5.771 4.059 1.814 3 HB2 LEU 18 HB2 LEU 18 -6.585 2.777 -0.028 4 HB3 LEU 18 HB3 LEU 18 -5.120 3.057 -0.954 5 HG LEU 18 HG LEU 18 -3.852 1.562 0.490 6 HD11 LEU 18 HD11 LEU 18 -6.399 1.341 2.102 7 HD12 LEU 18 HD12 LEU 18 -5.030 0.240 2.248 8 HD13 LEU 18 HD13 LEU 18 -4.830 1.944 2.644 9 HD21 LEU 18 HD21 LEU 18 -6.484 0.368 -0.384 10 HD22 LEU 18 HD22 LEU 18 -5.021 0.528 -1.357 11 HD23 LEU 18 HD23 LEU 18 -5.038 -0.550 0.036 No H/Q in entry = 11 In of MODEL 6 1 H ASN 19 H ASN 19 -4.175 3.768 3.169 2 HA ASN 19 HA ASN 19 -1.512 4.649 2.313 3 HB2 ASN 19 HB2 ASN 19 -2.911 4.780 4.992 4 HB3 ASN 19 HB3 ASN 19 -1.188 5.109 4.797 5 HD21 ASN 19 HD21 ASN 19 -0.552 6.974 3.718 6 HD22 ASN 19 HD22 ASN 19 -1.642 8.280 3.426 No H/Q in entry = 6 In of MODEL 6 1 H CYS 20 H CYS 20 -0.242 2.969 1.854 2 HA CYS 20 HA CYS 20 -0.256 0.601 3.627 3 HB2 CYS 20 HB2 CYS 20 -0.604 -0.116 1.393 4 HB3 CYS 20 HB3 CYS 20 0.564 1.041 0.732 No H/Q in entry = 4 In of MODEL 6 1 H TYR 21 H TYR 21 1.373 0.629 5.123 2 HA TYR 21 HA TYR 21 3.790 2.170 4.506 3 HB2 TYR 21 HB2 TYR 21 3.118 0.798 7.115 4 HB3 TYR 21 HB3 TYR 21 4.384 1.981 6.835 5 HD1 TYR 21 HD1 TYR 21 0.810 1.464 7.316 6 HD2 TYR 21 HD2 TYR 21 3.869 4.343 6.698 7 HE1 TYR 21 HE1 TYR 21 -0.769 3.264 7.910 8 HE2 TYR 21 HE2 TYR 21 2.305 6.151 7.288 9 HH TYR 21 HH TYR 21 -0.701 5.577 8.747 No H/Q in entry = 9 In of MODEL 6 1 H VAL 22 H VAL 22 5.447 1.192 3.684 2 HA VAL 22 HA VAL 22 5.846 -1.671 4.176 3 HB VAL 22 HB VAL 22 6.984 0.155 2.015 4 HG11 VAL 22 HG11 VAL 22 7.268 -2.837 2.306 5 HG12 VAL 22 HG12 VAL 22 7.743 -1.893 0.897 6 HG13 VAL 22 HG13 VAL 22 8.561 -1.634 2.433 7 HG21 VAL 22 HG21 VAL 22 4.806 -1.920 1.899 8 HG22 VAL 22 HG22 VAL 22 4.652 -0.182 1.635 9 HG23 VAL 22 HG23 VAL 22 5.551 -1.172 0.483 No H/Q in entry = 9 In of MODEL 6 1 H SER 23 H SER 23 7.946 -2.282 4.912 2 HA SER 23 HA SER 23 9.057 -0.409 6.763 3 HB2 SER 23 HB2 SER 23 8.892 -2.911 7.142 4 HB3 SER 23 HB3 SER 23 10.229 -3.100 6.005 5 HG SER 23 HG SER 23 11.286 -2.928 7.869 No H/Q in entry = 5 In of MODEL 6 1 H GLY 24 H GLY 24 11.910 -1.062 6.493 2 HA2 GLY 24 HA2 GLY 24 13.573 0.352 5.743 3 HA3 GLY 24 HA3 GLY 24 12.349 1.283 4.890 No H/Q in entry = 3 In of MODEL 6 1 H PHE 25 H PHE 25 13.610 -1.987 4.776 2 HA PHE 25 HA PHE 25 14.809 -3.111 3.120 3 HB2 PHE 25 HB2 PHE 25 12.423 -1.998 1.630 4 HB3 PHE 25 HB3 PHE 25 13.485 -3.244 0.987 5 HD1 PHE 25 HD1 PHE 25 13.352 -5.527 1.757 6 HD2 PHE 25 HD2 PHE 25 10.925 -2.511 3.543 7 HE1 PHE 25 HE1 PHE 25 11.980 -7.275 2.844 8 HE2 PHE 25 HE2 PHE 25 9.555 -4.253 4.635 9 HZ PHE 25 HZ PHE 25 10.077 -6.627 4.265 No H/Q in entry = 9 In of MODEL 6 1 H HIS 26 H HIS 26 15.281 -2.783 0.508 2 HA HIS 26 HA HIS 26 16.440 -0.119 0.156 3 HB2 HIS 26 HB2 HIS 26 16.559 -2.386 -1.832 4 HB3 HIS 26 HB3 HIS 26 17.656 -1.016 -1.673 5 HD2 HIS 26 HD2 HIS 26 19.302 -1.179 0.735 6 HE1 HIS 26 HE1 HIS 26 18.936 -5.393 0.831 7 HE2 HIS 26 HE2 HIS 26 20.317 -3.410 1.598 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 27 HA PRO 27 12.254 0.975 -1.480 2 HB2 PRO 27 HB2 PRO 27 14.071 3.298 -2.050 3 HB3 PRO 27 HB3 PRO 27 12.370 3.312 -1.552 4 HG2 PRO 27 HG2 PRO 27 14.259 3.698 0.252 5 HG3 PRO 27 HG3 PRO 27 12.855 2.653 0.634 6 HD2 PRO 27 HD2 PRO 27 15.702 1.917 0.058 7 HD3 PRO 27 HD3 PRO 27 14.496 1.080 1.061 No H/Q in entry = 7 In of MODEL 6 1 H SER 28 H SER 28 15.305 1.282 -3.253 2 HA SER 28 HA SER 28 13.979 1.800 -5.743 3 HB2 SER 28 HB2 SER 28 16.179 2.788 -5.239 4 HB3 SER 28 HB3 SER 28 16.882 1.172 -5.158 5 HG SER 28 HG SER 28 17.024 1.147 -7.246 No H/Q in entry = 5 In of MODEL 6 1 H ASP 29 H ASP 29 15.053 -1.058 -4.054 2 HA ASP 29 HA ASP 29 14.743 -2.648 -6.519 3 HB2 ASP 29 HB2 ASP 29 16.228 -3.350 -3.974 4 HB3 ASP 29 HB3 ASP 29 16.072 -4.392 -5.383 No H/Q in entry = 4 In of MODEL 6 1 H ILE 30 H ILE 30 12.492 -1.784 -4.773 2 HA ILE 30 HA ILE 30 11.515 -4.511 -4.214 3 HB ILE 30 HB ILE 30 10.544 -3.978 -2.211 4 HG12 ILE 30 HG12 ILE 30 10.380 -1.043 -2.988 5 HG13 ILE 30 HG13 ILE 30 9.076 -2.222 -3.120 6 HG21 ILE 30 HG21 ILE 30 12.757 -1.946 -2.334 7 HG22 ILE 30 HG22 ILE 30 11.962 -2.484 -0.856 8 HG23 ILE 30 HG23 ILE 30 12.886 -3.625 -1.829 9 HD11 ILE 30 HD11 ILE 30 10.402 -1.445 -0.531 10 HD12 ILE 30 HD12 ILE 30 8.895 -0.762 -1.139 11 HD13 ILE 30 HD13 ILE 30 8.986 -2.476 -0.734 No H/Q in entry = 11 In of MODEL 6 1 H GLU 31 H GLU 31 9.122 -4.662 -4.241 2 HA GLU 31 HA GLU 31 7.889 -2.721 -6.068 3 HB2 GLU 31 HB2 GLU 31 7.864 -5.730 -6.318 4 HB3 GLU 31 HB3 GLU 31 6.705 -4.692 -7.131 5 HG2 GLU 31 HG2 GLU 31 8.503 -3.554 -8.320 6 HG3 GLU 31 HG3 GLU 31 9.707 -4.547 -7.507 No H/Q in entry = 6 In of MODEL 6 1 H VAL 32 H VAL 32 6.274 -1.844 -5.019 2 HA VAL 32 HA VAL 32 4.515 -3.551 -3.400 3 HB VAL 32 HB VAL 32 5.183 -2.380 -1.581 4 HG11 VAL 32 HG11 VAL 32 7.128 -1.527 -2.804 5 HG12 VAL 32 HG12 VAL 32 6.169 -0.152 -3.346 6 HG13 VAL 32 HG13 VAL 32 6.511 -0.370 -1.628 7 HG21 VAL 32 HG21 VAL 32 3.659 -0.145 -2.911 8 HG22 VAL 32 HG22 VAL 32 2.993 -1.397 -1.863 9 HG23 VAL 32 HG23 VAL 32 4.109 -0.201 -1.206 No H/Q in entry = 9 In of MODEL 6 1 H ASP 33 H ASP 33 2.381 -3.385 -3.829 2 HA ASP 33 HA ASP 33 1.478 -1.177 -5.548 3 HB2 ASP 33 HB2 ASP 33 0.805 -4.128 -6.000 4 HB3 ASP 33 HB3 ASP 33 0.080 -2.777 -6.875 No H/Q in entry = 4 In of MODEL 6 1 H LEU 34 H LEU 34 -0.819 -0.860 -5.458 2 HA LEU 34 HA LEU 34 -2.000 -1.770 -2.916 3 HB2 LEU 34 HB2 LEU 34 -2.329 0.720 -4.526 4 HB3 LEU 34 HB3 LEU 34 -3.705 0.159 -3.597 5 HG LEU 34 HG LEU 34 -2.268 0.218 -1.540 6 HD11 LEU 34 HD11 LEU 34 -0.085 0.066 -2.620 7 HD12 LEU 34 HD12 LEU 34 -0.325 1.665 -3.326 8 HD13 LEU 34 HD13 LEU 34 -0.202 1.479 -1.575 9 HD21 LEU 34 HD21 LEU 34 -3.811 2.043 -2.155 10 HD22 LEU 34 HD22 LEU 34 -2.415 2.587 -1.225 11 HD23 LEU 34 HD23 LEU 34 -2.474 2.856 -2.971 No H/Q in entry = 11 In of MODEL 6 1 H LEU 35 H LEU 35 -3.740 -3.073 -2.943 2 HA LEU 35 HA LEU 35 -4.791 -3.821 -5.586 3 HB2 LEU 35 HB2 LEU 35 -4.277 -5.666 -3.258 4 HB3 LEU 35 HB3 LEU 35 -4.896 -6.118 -4.828 5 HG LEU 35 HG LEU 35 -2.105 -5.377 -4.034 6 HD11 LEU 35 HD11 LEU 35 -3.416 -7.644 -5.527 7 HD12 LEU 35 HD12 LEU 35 -1.676 -7.456 -5.358 8 HD13 LEU 35 HD13 LEU 35 -2.680 -7.700 -3.924 9 HD21 LEU 35 HD21 LEU 35 -2.613 -4.002 -6.024 10 HD22 LEU 35 HD22 LEU 35 -1.439 -5.270 -6.361 11 HD23 LEU 35 HD23 LEU 35 -3.109 -5.457 -6.887 No H/Q in entry = 11 In of MODEL 6 1 H LYS 36 H LYS 36 -6.757 -5.081 -5.511 2 HA LYS 36 HA LYS 36 -8.528 -4.717 -3.206 3 HB2 LYS 36 HB2 LYS 36 -9.737 -5.178 -5.882 4 HB3 LYS 36 HB3 LYS 36 -10.353 -4.218 -4.518 5 HG2 LYS 36 HG2 LYS 36 -8.791 -2.433 -5.102 6 HG3 LYS 36 HG3 LYS 36 -8.140 -3.390 -6.427 7 HD2 LYS 36 HD2 LYS 36 -9.685 -1.695 -7.271 8 HD3 LYS 36 HD3 LYS 36 -10.316 -3.318 -7.592 9 HE2 LYS 36 HE2 LYS 36 -12.089 -1.717 -6.799 10 HE3 LYS 36 HE3 LYS 36 -11.887 -3.074 -5.703 11 HZ1 LYS 36 HZ1 LYS 36 -10.299 -0.690 -5.148 12 HZ2 LYS 36 HZ2 LYS 36 -11.969 -0.574 -4.901 13 HZ3 LYS 36 HZ3 LYS 36 -11.081 -1.759 -4.082 No H/Q in entry = 13 In of MODEL 6 1 H ASN 37 H ASN 37 -8.617 -6.760 -2.330 2 HA ASN 37 HA ASN 37 -8.534 -9.067 -2.237 3 HB2 ASN 37 HB2 ASN 37 -10.412 -9.074 -4.543 4 HB3 ASN 37 HB3 ASN 37 -10.547 -10.003 -3.085 5 HD21 ASN 37 HD21 ASN 37 -10.874 -6.817 -4.512 6 HD22 ASN 37 HD22 ASN 37 -12.050 -6.206 -3.410 No H/Q in entry = 6 In of MODEL 6 1 H GLY 38 H GLY 38 -6.355 -8.273 -3.596 2 HA2 GLY 38 HA2 GLY 38 -5.891 -10.453 -5.380 3 HA3 GLY 38 HA3 GLY 38 -4.736 -9.217 -4.941 No H/Q in entry = 3 In of MODEL 6 1 H GLU 39 H GLU 39 -6.630 -7.020 -6.028 2 HA GLU 39 HA GLU 39 -5.965 -7.559 -8.845 3 HB2 GLU 39 HB2 GLU 39 -8.581 -6.850 -7.851 4 HB3 GLU 39 HB3 GLU 39 -7.959 -5.553 -8.865 5 HG2 GLU 39 HG2 GLU 39 -9.264 -7.248 -10.093 6 HG3 GLU 39 HG3 GLU 39 -7.626 -6.909 -10.656 No H/Q in entry = 6 In of MODEL 6 1 H ARG 40 H ARG 40 -4.625 -6.177 -9.740 2 HA ARG 40 HA ARG 40 -3.510 -4.069 -8.286 3 HB2 ARG 40 HB2 ARG 40 -2.674 -5.473 -10.442 4 HB3 ARG 40 HB3 ARG 40 -3.245 -4.032 -11.266 5 HG2 ARG 40 HG2 ARG 40 -1.758 -2.696 -9.756 6 HG3 ARG 40 HG3 ARG 40 -1.106 -4.228 -9.174 7 HD2 ARG 40 HD2 ARG 40 0.362 -3.357 -10.887 8 HD3 ARG 40 HD3 ARG 40 -0.452 -4.789 -11.519 9 HE ARG 40 HE ARG 40 -2.020 -3.158 -12.629 10 HH11 ARG 40 HH11 ARG 40 1.327 -2.370 -11.902 11 HH12 ARG 40 HH12 ARG 40 1.446 -1.168 -13.159 12 HH21 ARG 40 HH21 ARG 40 -1.882 -1.550 -14.252 13 HH22 ARG 40 HH22 ARG 40 -0.389 -0.682 -14.474 No H/Q in entry = 13 In of MODEL 6 1 H ILE 41 H ILE 41 -4.512 -2.270 -7.726 2 HA ILE 41 HA ILE 41 -6.899 -1.308 -8.788 3 HB ILE 41 HB ILE 41 -4.811 0.166 -7.176 4 HG12 ILE 41 HG12 ILE 41 -7.325 -1.268 -6.306 5 HG13 ILE 41 HG13 ILE 41 -5.687 -1.884 -6.100 6 HG21 ILE 41 HG21 ILE 41 -7.709 0.858 -7.671 7 HG22 ILE 41 HG22 ILE 41 -6.644 1.680 -6.531 8 HG23 ILE 41 HG23 ILE 41 -6.308 1.748 -8.259 9 HD11 ILE 41 HD11 ILE 41 -6.515 0.725 -4.902 10 HD12 ILE 41 HD12 ILE 41 -6.845 -0.815 -4.106 11 HD13 ILE 41 HD13 ILE 41 -5.179 -0.350 -4.454 No H/Q in entry = 11 In of MODEL 6 1 H GLU 42 H GLU 42 -3.950 0.681 -8.866 2 HA GLU 42 HA GLU 42 -2.588 0.606 -10.934 3 HB2 GLU 42 HB2 GLU 42 -5.199 1.328 -12.290 4 HB3 GLU 42 HB3 GLU 42 -3.613 1.384 -13.042 5 HG2 GLU 42 HG2 GLU 42 -3.487 -1.122 -12.362 6 HG3 GLU 42 HG3 GLU 42 -5.240 -0.985 -12.248 No H/Q in entry = 6 In of MODEL 6 1 H LYS 43 H LYS 43 -4.914 2.826 -9.534 2 HA LYS 43 HA LYS 43 -3.617 5.129 -10.734 3 HB2 LYS 43 HB2 LYS 43 -5.640 5.176 -8.497 4 HB3 LYS 43 HB3 LYS 43 -5.273 6.447 -9.646 5 HG2 LYS 43 HG2 LYS 43 -6.804 3.897 -10.168 6 HG3 LYS 43 HG3 LYS 43 -7.415 5.554 -10.185 7 HD2 LYS 43 HD2 LYS 43 -5.354 4.444 -12.093 8 HD3 LYS 43 HD3 LYS 43 -7.071 4.634 -12.449 9 HE2 LYS 43 HE2 LYS 43 -5.208 6.887 -11.693 10 HE3 LYS 43 HE3 LYS 43 -5.680 6.482 -13.343 11 HZ1 LYS 43 HZ1 LYS 43 -7.599 7.233 -11.197 12 HZ2 LYS 43 HZ2 LYS 43 -6.983 8.312 -12.353 13 HZ3 LYS 43 HZ3 LYS 43 -7.943 7.003 -12.843 No H/Q in entry = 13 In of MODEL 6 1 H VAL 44 H VAL 44 -1.603 4.005 -9.557 2 HA VAL 44 HA VAL 44 -1.328 5.308 -6.955 3 HB VAL 44 HB VAL 44 -1.520 2.556 -7.207 4 HG11 VAL 44 HG11 VAL 44 1.373 3.304 -7.024 5 HG12 VAL 44 HG12 VAL 44 0.731 1.727 -6.565 6 HG13 VAL 44 HG13 VAL 44 0.608 2.275 -8.237 7 HG21 VAL 44 HG21 VAL 44 -1.872 3.819 -5.174 8 HG22 VAL 44 HG22 VAL 44 -0.761 2.479 -4.890 9 HG23 VAL 44 HG23 VAL 44 -0.140 4.122 -5.046 No H/Q in entry = 9 In of MODEL 6 1 H GLU 45 H GLU 45 0.547 6.346 -6.683 2 HA GLU 45 HA GLU 45 2.749 5.922 -8.577 3 HB2 GLU 45 HB2 GLU 45 1.380 8.602 -8.196 4 HB3 GLU 45 HB3 GLU 45 2.908 8.383 -9.027 5 HG2 GLU 45 HG2 GLU 45 1.853 7.208 -10.823 6 HG3 GLU 45 HG3 GLU 45 0.326 7.112 -9.940 No H/Q in entry = 6 In of MODEL 6 1 H HIS 46 H HIS 46 4.374 5.473 -7.100 2 HA HIS 46 HA HIS 46 5.317 7.843 -5.725 3 HB2 HIS 46 HB2 HIS 46 3.924 6.658 -4.029 4 HB3 HIS 46 HB3 HIS 46 4.947 5.245 -4.230 5 HD2 HIS 46 HD2 HIS 46 5.564 9.014 -3.139 6 HE1 HIS 46 HE1 HIS 46 8.162 6.405 -1.056 7 HE2 HIS 46 HE2 HIS 46 7.534 8.821 -1.468 No H/Q in entry = 7 In of MODEL 6 1 H SER 47 H SER 47 7.473 7.973 -5.791 2 HA SER 47 HA SER 47 9.128 5.600 -5.713 3 HB2 SER 47 HB2 SER 47 9.207 7.360 -8.180 4 HB3 SER 47 HB3 SER 47 10.397 6.119 -7.788 5 HG SER 47 HG SER 47 7.847 5.165 -7.674 No H/Q in entry = 5 In of MODEL 6 1 H ASP 48 H ASP 48 10.673 6.114 -4.252 2 HA ASP 48 HA ASP 48 12.094 8.624 -4.585 3 HB2 ASP 48 HB2 ASP 48 11.886 9.340 -2.315 4 HB3 ASP 48 HB3 ASP 48 10.260 9.051 -2.911 No H/Q in entry = 4 In of MODEL 6 1 H LEU 49 H LEU 49 14.070 8.629 -3.065 2 HA LEU 49 HA LEU 49 16.111 7.714 -2.756 3 HB2 LEU 49 HB2 LEU 49 14.402 5.366 -1.931 4 HB3 LEU 49 HB3 LEU 49 16.163 5.287 -1.908 5 HG LEU 49 HG LEU 49 16.225 7.273 -0.383 6 HD11 LEU 49 HD11 LEU 49 14.039 8.215 -0.919 7 HD12 LEU 49 HD12 LEU 49 13.258 6.852 -0.116 8 HD13 LEU 49 HD13 LEU 49 14.257 7.969 0.812 9 HD21 LEU 49 HD21 LEU 49 16.352 4.908 0.466 10 HD22 LEU 49 HD22 LEU 49 15.788 6.106 1.626 11 HD23 LEU 49 HD23 LEU 49 14.626 5.025 0.859 No H/Q in entry = 11 In of MODEL 6 1 H SER 50 H SER 50 17.669 7.102 -4.021 2 HA SER 50 HA SER 50 17.040 5.277 -6.251 3 HB2 SER 50 HB2 SER 50 17.703 7.573 -6.947 4 HB3 SER 50 HB3 SER 50 19.244 7.356 -6.120 5 HG SER 50 HG SER 50 18.808 5.277 -7.756 No H/Q in entry = 5 In of MODEL 6 1 H PHE 51 H PHE 51 19.334 6.078 -3.710 2 HA PHE 51 HA PHE 51 20.405 3.344 -3.920 3 HB2 PHE 51 HB2 PHE 51 22.029 5.839 -3.358 4 HB3 PHE 51 HB3 PHE 51 22.644 4.192 -3.310 5 HD1 PHE 51 HD1 PHE 51 22.093 7.064 -5.323 6 HD2 PHE 51 HD2 PHE 51 22.521 2.833 -5.484 7 HE1 PHE 51 HE1 PHE 51 22.649 7.217 -7.712 8 HE2 PHE 51 HE2 PHE 51 23.081 2.980 -7.875 9 HZ PHE 51 HZ PHE 51 23.148 5.173 -8.991 No H/Q in entry = 9 In of MODEL 6 1 H SER 52 H SER 52 18.538 5.179 -2.184 2 HA SER 52 HA SER 52 17.878 5.360 -0.024 3 HB2 SER 52 HB2 SER 52 19.899 3.179 0.554 4 HB3 SER 52 HB3 SER 52 18.576 3.684 1.606 5 HG SER 52 HG SER 52 18.403 2.434 -0.935 No H/Q in entry = 5 In of MODEL 6 1 H LYS 53 H LYS 53 18.406 6.460 1.895 2 HA LYS 53 HA LYS 53 21.080 6.981 2.707 3 HB2 LYS 53 HB2 LYS 53 21.051 8.474 0.766 4 HB3 LYS 53 HB3 LYS 53 19.590 9.248 1.369 5 HG2 LYS 53 HG2 LYS 53 20.864 9.952 3.380 6 HG3 LYS 53 HG3 LYS 53 22.322 9.300 2.629 7 HD2 LYS 53 HD2 LYS 53 22.110 10.842 0.787 8 HD3 LYS 53 HD3 LYS 53 20.568 11.431 1.416 9 HE2 LYS 53 HE2 LYS 53 21.743 12.206 3.450 10 HE3 LYS 53 HE3 LYS 53 23.271 11.704 2.726 11 HZ1 LYS 53 HZ1 LYS 53 21.423 13.703 1.545 12 HZ2 LYS 53 HZ2 LYS 53 22.806 14.085 2.451 13 HZ3 LYS 53 HZ3 LYS 53 22.963 13.281 0.967 No H/Q in entry = 13 In of MODEL 6 1 H ASP 54 H ASP 54 20.842 6.974 4.807 2 HA ASP 54 HA ASP 54 19.923 7.088 6.912 3 HB2 ASP 54 HB2 ASP 54 20.270 9.599 6.089 4 HB3 ASP 54 HB3 ASP 54 18.513 9.626 6.191 No H/Q in entry = 4 In of MODEL 6 1 H TRP 55 H TRP 55 17.499 8.112 7.895 2 HA TRP 55 HA TRP 55 15.357 7.387 6.135 3 HB2 TRP 55 HB2 TRP 55 16.356 5.252 7.536 4 HB3 TRP 55 HB3 TRP 55 15.032 5.799 8.570 5 HD1 TRP 55 HD1 TRP 55 12.521 5.843 7.444 6 HE1 TRP 55 HE1 TRP 55 11.574 4.514 5.440 7 HE3 TRP 55 HE3 TRP 55 16.927 4.088 5.374 8 HZ2 TRP 55 HZ2 TRP 55 12.516 2.948 3.331 9 HZ3 TRP 55 HZ3 TRP 55 16.773 2.684 3.371 10 HH2 TRP 55 HH2 TRP 55 14.627 2.124 2.371 No H/Q in entry = 10 In of MODEL 6 1 H SER 56 H SER 56 14.434 9.289 6.439 2 HA SER 56 HA SER 56 13.109 9.661 9.024 3 HB2 SER 56 HB2 SER 56 13.438 12.152 8.724 4 HB3 SER 56 HB3 SER 56 14.913 11.254 9.083 5 HG SER 56 HG SER 56 14.046 12.343 6.615 No H/Q in entry = 5 In of MODEL 6 1 H PHE 57 H PHE 57 12.452 8.634 6.263 2 HA PHE 57 HA PHE 57 10.279 10.492 5.593 3 HB2 PHE 57 HB2 PHE 57 10.852 9.520 3.145 4 HB3 PHE 57 HB3 PHE 57 11.538 11.008 3.783 5 HD1 PHE 57 HD1 PHE 57 12.288 7.335 3.911 6 HD2 PHE 57 HD2 PHE 57 13.769 11.299 3.454 7 HE1 PHE 57 HE1 PHE 57 14.565 6.448 3.578 8 HE2 PHE 57 HE2 PHE 57 16.041 10.414 3.115 9 HZ PHE 57 HZ PHE 57 16.434 7.991 3.184 No H/Q in entry = 9 In of MODEL 6 1 H TYR 58 H TYR 58 11.420 7.168 5.614 2 HA TYR 58 HA TYR 58 10.458 5.164 5.301 3 HB2 TYR 58 HB2 TYR 58 8.216 4.843 6.436 4 HB3 TYR 58 HB3 TYR 58 9.510 5.499 7.418 5 HD1 TYR 58 HD1 TYR 58 6.340 6.292 5.742 6 HD2 TYR 58 HD2 TYR 58 9.313 7.719 8.411 7 HE1 TYR 58 HE1 TYR 58 4.834 8.141 6.396 8 HE2 TYR 58 HE2 TYR 58 7.822 9.579 9.086 9 HH TYR 58 HH TYR 58 5.912 10.827 8.168 No H/Q in entry = 9 In of MODEL 6 1 H LEU 59 H LEU 59 8.537 3.854 4.401 2 HA LEU 59 HA LEU 59 8.172 4.991 1.696 3 HB2 LEU 59 HB2 LEU 59 8.452 2.221 2.825 4 HB3 LEU 59 HB3 LEU 59 7.639 2.437 1.296 5 HG LEU 59 HG LEU 59 10.509 3.292 1.794 6 HD11 LEU 59 HD11 LEU 59 9.417 0.753 0.581 7 HD12 LEU 59 HD12 LEU 59 11.099 1.263 0.534 8 HD13 LEU 59 HD13 LEU 59 10.334 0.896 2.075 9 HD21 LEU 59 HD21 LEU 59 8.692 3.199 -0.586 10 HD22 LEU 59 HD22 LEU 59 9.755 4.504 -0.045 11 HD23 LEU 59 HD23 LEU 59 10.439 3.054 -0.776 No H/Q in entry = 11 In of MODEL 6 1 H LEU 60 H LEU 60 6.181 5.659 1.174 2 HA LEU 60 HA LEU 60 3.901 3.919 1.744 3 HB2 LEU 60 HB2 LEU 60 3.577 5.438 3.450 4 HB3 LEU 60 HB3 LEU 60 4.216 6.775 2.524 5 HG LEU 60 HG LEU 60 2.088 6.574 1.119 6 HD11 LEU 60 HD11 LEU 60 1.268 4.955 3.520 7 HD12 LEU 60 HD12 LEU 60 0.175 5.582 2.284 8 HD13 LEU 60 HD13 LEU 60 1.393 4.380 1.857 9 HD21 LEU 60 HD21 LEU 60 1.926 7.411 4.011 10 HD22 LEU 60 HD22 LEU 60 2.482 8.402 2.662 11 HD23 LEU 60 HD23 LEU 60 0.797 7.889 2.741 No H/Q in entry = 11 In of MODEL 6 1 H TYR 61 H TYR 61 2.332 3.974 0.174 2 HA TYR 61 HA TYR 61 2.834 5.646 -2.206 3 HB2 TYR 61 HB2 TYR 61 1.947 2.740 -2.007 4 HB3 TYR 61 HB3 TYR 61 1.754 3.687 -3.493 5 HD1 TYR 61 HD1 TYR 61 3.343 3.188 -5.095 6 HD2 TYR 61 HD2 TYR 61 4.558 3.149 -1.024 7 HE1 TYR 61 HE1 TYR 61 5.622 2.617 -5.800 8 HE2 TYR 61 HE2 TYR 61 6.851 2.581 -1.729 9 HH TYR 61 HH TYR 61 8.042 1.643 -3.548 No H/Q in entry = 9 In of MODEL 6 1 H TYR 62 H TYR 62 0.748 6.064 -3.486 2 HA TYR 62 HA TYR 62 -1.563 5.995 -1.691 3 HB2 TYR 62 HB2 TYR 62 -2.074 8.421 -2.296 4 HB3 TYR 62 HB3 TYR 62 -0.816 8.117 -1.110 5 HD1 TYR 62 HD1 TYR 62 1.418 8.850 -1.483 6 HD2 TYR 62 HD2 TYR 62 -1.433 9.134 -4.627 7 HE1 TYR 62 HE1 TYR 62 2.972 10.264 -2.757 8 HE2 TYR 62 HE2 TYR 62 0.120 10.537 -5.916 9 HH TYR 62 HH TYR 62 2.045 12.030 -5.491 No H/Q in entry = 9 In of MODEL 6 1 H THR 63 H THR 63 -3.478 5.671 -2.600 2 HA THR 63 HA THR 63 -3.871 6.160 -5.465 3 HB THR 63 HB THR 63 -3.323 3.661 -4.917 4 HG1 THR 63 HG1 THR 63 -4.381 4.660 -6.859 5 HG21 THR 63 HG21 THR 63 -6.223 3.797 -4.075 6 HG22 THR 63 HG22 THR 63 -5.303 2.319 -4.345 7 HG23 THR 63 HG23 THR 63 -4.864 3.401 -3.024 No H/Q in entry = 7 In of MODEL 6 1 H GLU 64 H GLU 64 -6.321 5.908 -5.964 2 HA GLU 64 HA GLU 64 -7.684 7.588 -3.992 3 HB2 GLU 64 HB2 GLU 64 -7.457 8.457 -6.323 4 HB3 GLU 64 HB3 GLU 64 -8.287 7.035 -6.915 5 HG2 GLU 64 HG2 GLU 64 -10.314 7.738 -5.665 6 HG3 GLU 64 HG3 GLU 64 -9.447 9.188 -5.154 No H/Q in entry = 6 In of MODEL 6 1 H PHE 65 H PHE 65 -9.340 6.640 -2.769 2 HA PHE 65 HA PHE 65 -10.453 4.142 -3.858 3 HB2 PHE 65 HB2 PHE 65 -10.406 3.103 -1.737 4 HB3 PHE 65 HB3 PHE 65 -8.846 3.857 -1.953 5 HD1 PHE 65 HD1 PHE 65 -12.133 5.020 -0.569 6 HD2 PHE 65 HD2 PHE 65 -7.941 4.587 -0.003 7 HE1 PHE 65 HE1 PHE 65 -12.335 6.047 1.656 8 HE2 PHE 65 HE2 PHE 65 -8.142 5.630 2.226 9 HZ PHE 65 HZ PHE 65 -10.345 6.362 3.060 No H/Q in entry = 9 In of MODEL 6 1 H THR 66 H THR 66 -12.616 3.640 -3.401 2 HA THR 66 HA THR 66 -14.032 5.362 -1.484 3 HB THR 66 HB THR 66 -15.165 4.459 -4.161 4 HG1 THR 66 HG1 THR 66 -13.662 6.594 -3.488 5 HG21 THR 66 HG21 THR 66 -16.334 6.139 -1.928 6 HG22 THR 66 HG22 THR 66 -17.031 6.001 -3.546 7 HG23 THR 66 HG23 THR 66 -16.912 4.576 -2.516 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 67 HA PRO 67 -14.481 1.077 -0.167 2 HB2 PRO 67 HB2 PRO 67 -15.778 1.778 2.240 3 HB3 PRO 67 HB3 PRO 67 -14.083 1.355 2.021 4 HG2 PRO 67 HG2 PRO 67 -15.151 3.907 2.665 5 HG3 PRO 67 HG3 PRO 67 -13.463 3.488 2.333 6 HD2 PRO 67 HD2 PRO 67 -15.384 4.896 0.683 7 HD3 PRO 67 HD3 PRO 67 -13.630 4.742 0.475 No H/Q in entry = 7 In of MODEL 6 1 H THR 68 H THR 68 -15.894 -0.381 -0.263 2 HA THR 68 HA THR 68 -18.755 0.198 -0.183 3 HB THR 68 HB THR 68 -19.030 -1.375 -2.123 4 HG1 THR 68 HG1 THR 68 -17.300 -2.202 -3.111 5 HG21 THR 68 HG21 THR 68 -17.380 1.093 -2.694 6 HG22 THR 68 HG22 THR 68 -18.357 0.221 -3.874 7 HG23 THR 68 HG23 THR 68 -19.134 1.035 -2.514 No H/Q in entry = 7 In of MODEL 6 1 H GLU 69 H GLU 69 -19.980 -1.642 0.550 2 HA GLU 69 HA GLU 69 -18.604 -3.238 2.431 3 HB2 GLU 69 HB2 GLU 69 -20.761 -4.396 2.800 4 HB3 GLU 69 HB3 GLU 69 -20.906 -2.644 2.850 5 HG2 GLU 69 HG2 GLU 69 -21.611 -4.338 0.469 6 HG3 GLU 69 HG3 GLU 69 -22.752 -3.828 1.701 No H/Q in entry = 6 In of MODEL 6 1 H LYS 70 H LYS 70 -18.449 -3.622 -0.797 2 HA LYS 70 HA LYS 70 -18.214 -6.530 -0.539 3 HB2 LYS 70 HB2 LYS 70 -18.694 -4.897 -3.025 4 HB3 LYS 70 HB3 LYS 70 -18.505 -6.643 -2.994 5 HG2 LYS 70 HG2 LYS 70 -20.709 -5.262 -1.476 6 HG3 LYS 70 HG3 LYS 70 -20.881 -5.705 -3.170 7 HD2 LYS 70 HD2 LYS 70 -21.806 -7.539 -2.148 8 HD3 LYS 70 HD3 LYS 70 -20.140 -8.077 -2.315 9 HE2 LYS 70 HE2 LYS 70 -20.496 -8.622 -0.129 10 HE3 LYS 70 HE3 LYS 70 -19.944 -6.968 0.088 11 HZ1 LYS 70 HZ1 LYS 70 -22.344 -6.313 0.042 12 HZ2 LYS 70 HZ2 LYS 70 -22.724 -7.960 0.152 13 HZ3 LYS 70 HZ3 LYS 70 -21.852 -7.211 1.396 No H/Q in entry = 13 In of MODEL 6 1 H ASP 71 H ASP 71 -16.322 -3.676 -1.232 2 HA ASP 71 HA ASP 71 -14.299 -5.368 -2.491 3 HB2 ASP 71 HB2 ASP 71 -14.883 -3.318 -3.688 4 HB3 ASP 71 HB3 ASP 71 -14.336 -2.355 -2.308 No H/Q in entry = 4 In of MODEL 6 1 H GLU 72 H GLU 72 -12.450 -5.854 -1.648 2 HA GLU 72 HA GLU 72 -11.677 -4.948 1.039 3 HB2 GLU 72 HB2 GLU 72 -12.072 -7.290 0.856 4 HB3 GLU 72 HB3 GLU 72 -11.185 -7.419 -0.637 5 HG2 GLU 72 HG2 GLU 72 -9.772 -6.703 1.882 6 HG3 GLU 72 HG3 GLU 72 -10.242 -8.367 1.560 No H/Q in entry = 6 In of MODEL 6 1 H TYR 73 H TYR 73 -9.618 -4.028 1.347 2 HA TYR 73 HA TYR 73 -8.132 -3.391 -1.122 3 HB2 TYR 73 HB2 TYR 73 -8.560 -1.690 1.346 4 HB3 TYR 73 HB3 TYR 73 -7.372 -1.316 0.110 5 HD1 TYR 73 HD1 TYR 73 -11.015 -1.837 0.632 6 HD2 TYR 73 HD2 TYR 73 -7.985 -0.076 -1.782 7 HE1 TYR 73 HE1 TYR 73 -12.732 -0.596 -0.619 8 HE2 TYR 73 HE2 TYR 73 -9.690 1.166 -3.034 9 HH TYR 73 HH TYR 73 -12.980 1.321 -1.998 No H/Q in entry = 9 In of MODEL 6 1 H ALA 74 H ALA 74 -6.053 -3.949 -1.213 2 HA ALA 74 HA ALA 74 -4.695 -4.790 1.256 3 HB1 ALA 74 HB1 ALA 74 -5.670 -6.719 0.070 4 HB2 ALA 74 HB2 ALA 74 -3.910 -6.779 0.155 5 HB3 ALA 74 HB3 ALA 74 -4.705 -6.298 -1.345 No H/Q in entry = 5 In of MODEL 6 1 H CYS 75 H CYS 75 -2.325 -4.895 1.067 2 HA CYS 75 HA CYS 75 -1.281 -3.469 -1.300 3 HB2 CYS 75 HB2 CYS 75 -1.212 -1.935 0.544 4 HB3 CYS 75 HB3 CYS 75 -0.439 -3.134 1.567 No H/Q in entry = 4 In of MODEL 6 1 H ARG 76 H ARG 76 0.259 -4.514 -2.380 2 HA ARG 76 HA ARG 76 1.305 -7.049 -1.293 3 HB2 ARG 76 HB2 ARG 76 -0.075 -6.815 -3.465 4 HB3 ARG 76 HB3 ARG 76 1.382 -6.105 -4.153 5 HG2 ARG 76 HG2 ARG 76 2.550 -8.172 -3.955 6 HG3 ARG 76 HG3 ARG 76 1.293 -8.865 -2.928 7 HD2 ARG 76 HD2 ARG 76 1.126 -9.728 -5.264 8 HD3 ARG 76 HD3 ARG 76 -0.300 -8.791 -4.790 9 HE ARG 76 HE ARG 76 1.178 -6.898 -5.940 10 HH11 ARG 76 HH11 ARG 76 0.452 -10.148 -7.016 11 HH12 ARG 76 HH12 ARG 76 0.602 -9.761 -8.707 12 HH21 ARG 76 HH21 ARG 76 1.376 -6.374 -8.145 13 HH22 ARG 76 HH22 ARG 76 1.112 -7.595 -9.350 No H/Q in entry = 13 In of MODEL 6 1 H VAL 77 H VAL 77 3.489 -7.214 -0.869 2 HA VAL 77 HA VAL 77 5.266 -5.382 -2.334 3 HB VAL 77 HB VAL 77 4.776 -4.659 0.109 4 HG11 VAL 77 HG11 VAL 77 5.136 -6.806 1.179 5 HG12 VAL 77 HG12 VAL 77 6.809 -6.823 0.617 6 HG13 VAL 77 HG13 VAL 77 6.281 -5.604 1.777 7 HG21 VAL 77 HG21 VAL 77 6.479 -3.677 -1.370 8 HG22 VAL 77 HG22 VAL 77 6.989 -3.714 0.320 9 HG23 VAL 77 HG23 VAL 77 7.630 -4.898 -0.822 No H/Q in entry = 9 In of MODEL 6 1 H ASN 78 H ASN 78 7.032 -6.171 -3.106 2 HA ASN 78 HA ASN 78 7.999 -8.812 -2.175 3 HB2 ASN 78 HB2 ASN 78 6.798 -8.935 -4.399 4 HB3 ASN 78 HB3 ASN 78 8.067 -7.903 -5.065 5 HD21 ASN 78 HD21 ASN 78 8.626 -9.556 -6.515 6 HD22 ASN 78 HD22 ASN 78 9.535 -10.945 -6.002 No H/Q in entry = 6 In of MODEL 6 1 H HIS 79 H HIS 79 10.123 -9.106 -1.987 2 HA HIS 79 HA HIS 79 11.950 -7.070 -3.000 3 HB2 HIS 79 HB2 HIS 79 11.523 -6.620 -0.552 4 HB3 HIS 79 HB3 HIS 79 12.139 -8.218 -0.197 5 HD2 HIS 79 HD2 HIS 79 13.468 -4.693 -1.178 6 HE1 HIS 79 HE1 HIS 79 16.741 -7.235 -0.321 7 HE2 HIS 79 HE2 HIS 79 16.049 -4.887 -0.972 No H/Q in entry = 7 In of MODEL 6 1 H VAL 80 H VAL 80 14.169 -7.922 -3.148 2 HA VAL 80 HA VAL 80 14.400 -10.314 -4.464 3 HB VAL 80 HB VAL 80 16.567 -9.088 -2.745 4 HG11 VAL 80 HG11 VAL 80 16.743 -10.952 -5.113 5 HG12 VAL 80 HG12 VAL 80 18.114 -10.180 -4.316 6 HG13 VAL 80 HG13 VAL 80 17.128 -11.350 -3.437 7 HG21 VAL 80 HG21 VAL 80 15.832 -8.573 -5.628 8 HG22 VAL 80 HG22 VAL 80 15.659 -7.442 -4.286 9 HG23 VAL 80 HG23 VAL 80 17.264 -7.942 -4.818 No H/Q in entry = 9 In of MODEL 6 1 H THR 81 H THR 81 14.564 -9.802 -0.964 2 HA THR 81 HA THR 81 15.597 -12.405 -0.378 3 HB THR 81 HB THR 81 15.988 -10.786 1.310 4 HG1 THR 81 HG1 THR 81 15.534 -12.808 2.181 5 HG21 THR 81 HG21 THR 81 12.992 -10.358 1.454 6 HG22 THR 81 HG22 THR 81 14.185 -9.632 2.533 7 HG23 THR 81 HG23 THR 81 14.179 -9.218 0.819 No H/Q in entry = 7 In of MODEL 6 1 H LEU 82 H LEU 82 12.284 -11.068 0.052 2 HA LEU 82 HA LEU 82 11.075 -13.394 0.906 3 HB2 LEU 82 HB2 LEU 82 9.721 -11.445 -0.950 4 HB3 LEU 82 HB3 LEU 82 8.975 -12.482 0.254 5 HG LEU 82 HG LEU 82 10.802 -10.180 0.916 6 HD11 LEU 82 HD11 LEU 82 7.805 -10.353 0.965 7 HD12 LEU 82 HD12 LEU 82 8.770 -9.027 1.612 8 HD13 LEU 82 HD13 LEU 82 8.791 -9.368 -0.116 9 HD21 LEU 82 HD21 LEU 82 9.021 -11.896 2.641 10 HD22 LEU 82 HD22 LEU 82 10.785 -11.925 2.616 11 HD23 LEU 82 HD23 LEU 82 9.933 -10.489 3.185 No H/Q in entry = 11 In of MODEL 6 1 H SER 83 H SER 83 11.508 -12.282 -2.425 2 HA SER 83 HA SER 83 11.494 -13.339 -4.428 3 HB2 SER 83 HB2 SER 83 11.341 -15.904 -2.826 4 HB3 SER 83 HB3 SER 83 11.630 -15.802 -4.562 5 HG SER 83 HG SER 83 13.296 -14.318 -2.875 No H/Q in entry = 5 In of MODEL 6 1 H GLN 84 H GLN 84 9.091 -14.109 -2.079 2 HA GLN 84 HA GLN 84 7.076 -14.109 -4.204 3 HB2 GLN 84 HB2 GLN 84 5.679 -15.652 -2.852 4 HB3 GLN 84 HB3 GLN 84 7.173 -16.392 -3.398 5 HG2 GLN 84 HG2 GLN 84 8.128 -16.163 -1.162 6 HG3 GLN 84 HG3 GLN 84 6.681 -15.310 -0.617 7 HE21 GLN 84 HE21 GLN 84 7.932 -17.791 0.315 8 HE22 GLN 84 HE22 GLN 84 6.700 -19.005 0.205 No H/Q in entry = 8 In of MODEL 6 1 HA PRO 85 HA PRO 85 6.031 -10.529 -1.706 2 HB2 PRO 85 HB2 PRO 85 3.785 -9.787 -3.055 3 HB3 PRO 85 HB3 PRO 85 5.444 -9.337 -3.504 4 HG2 PRO 85 HG2 PRO 85 3.673 -11.464 -4.647 5 HG3 PRO 85 HG3 PRO 85 4.841 -10.404 -5.470 6 HD2 PRO 85 HD2 PRO 85 5.380 -13.047 -4.869 7 HD3 PRO 85 HD3 PRO 85 6.652 -11.778 -4.957 No H/Q in entry = 7 In of MODEL 6 1 H LYS 86 H LYS 86 4.358 -9.887 -0.268 2 HA LYS 86 HA LYS 86 2.218 -11.842 0.080 3 HB2 LYS 86 HB2 LYS 86 2.382 -10.989 2.587 4 HB3 LYS 86 HB3 LYS 86 3.183 -12.415 1.990 5 HG2 LYS 86 HG2 LYS 86 5.150 -11.662 2.563 6 HG3 LYS 86 HG3 LYS 86 4.921 -10.184 1.642 7 HD2 LYS 86 HD2 LYS 86 5.397 -9.478 3.808 8 HD3 LYS 86 HD3 LYS 86 3.644 -9.349 3.749 9 HE2 LYS 86 HE2 LYS 86 5.207 -11.685 4.882 10 HE3 LYS 86 HE3 LYS 86 4.465 -10.412 5.845 11 HZ1 LYS 86 HZ1 LYS 86 2.291 -11.132 5.004 12 HZ2 LYS 86 HZ2 LYS 86 3.033 -12.372 4.122 13 HZ3 LYS 86 HZ3 LYS 86 3.102 -12.382 5.811 No H/Q in entry = 13 In of MODEL 6 1 H ILE 87 H ILE 87 0.290 -11.149 0.952 2 HA ILE 87 HA ILE 87 -0.315 -8.352 0.239 3 HB ILE 87 HB ILE 87 -1.794 -10.830 -0.249 4 HG12 ILE 87 HG12 ILE 87 -1.217 -9.557 -2.138 5 HG13 ILE 87 HG13 ILE 87 -2.939 -9.232 -1.921 6 HG21 ILE 87 HG21 ILE 87 -3.262 -8.500 0.945 7 HG22 ILE 87 HG22 ILE 87 -4.046 -9.697 -0.091 8 HG23 ILE 87 HG23 ILE 87 -3.311 -10.192 1.441 9 HD11 ILE 87 HD11 ILE 87 -0.715 -7.443 -1.017 10 HD12 ILE 87 HD12 ILE 87 -1.702 -7.227 -2.459 11 HD13 ILE 87 HD13 ILE 87 -2.442 -7.134 -0.867 No H/Q in entry = 11 In of MODEL 6 1 H VAL 88 H VAL 88 -1.111 -6.944 1.659 2 HA VAL 88 HA VAL 88 -1.955 -7.947 4.297 3 HB VAL 88 HB VAL 88 0.042 -6.598 4.542 4 HG11 VAL 88 HG11 VAL 88 -1.411 -4.437 3.058 5 HG12 VAL 88 HG12 VAL 88 0.137 -4.247 3.887 6 HG13 VAL 88 HG13 VAL 88 0.006 -5.329 2.495 7 HG21 VAL 88 HG21 VAL 88 -2.481 -5.223 5.395 8 HG22 VAL 88 HG22 VAL 88 -1.472 -6.322 6.335 9 HG23 VAL 88 HG23 VAL 88 -0.880 -4.707 5.932 No H/Q in entry = 9 In of MODEL 6 1 H LYS 89 H LYS 89 -4.091 -7.633 4.669 2 HA LYS 89 HA LYS 89 -5.442 -5.780 2.855 3 HB2 LYS 89 HB2 LYS 89 -6.596 -8.193 4.267 4 HB3 LYS 89 HB3 LYS 89 -7.429 -7.156 3.114 5 HG2 LYS 89 HG2 LYS 89 -6.255 -7.966 1.311 6 HG3 LYS 89 HG3 LYS 89 -4.884 -8.463 2.306 7 HD2 LYS 89 HD2 LYS 89 -7.575 -9.777 2.434 8 HD3 LYS 89 HD3 LYS 89 -6.278 -10.332 1.379 9 HE2 LYS 89 HE2 LYS 89 -4.846 -10.584 3.405 10 HE3 LYS 89 HE3 LYS 89 -6.255 -10.180 4.391 11 HZ1 LYS 89 HZ1 LYS 89 -7.400 -12.100 3.447 12 HZ2 LYS 89 HZ2 LYS 89 -6.020 -12.495 2.543 13 HZ3 LYS 89 HZ3 LYS 89 -5.971 -12.558 4.240 No H/Q in entry = 13 In of MODEL 6 1 H TRP 90 H TRP 90 -7.050 -4.434 3.648 2 HA TRP 90 HA TRP 90 -6.530 -3.556 6.357 3 HB2 TRP 90 HB2 TRP 90 -6.622 -1.933 4.478 4 HB3 TRP 90 HB3 TRP 90 -8.302 -2.375 4.203 5 HD1 TRP 90 HD1 TRP 90 -6.542 -1.247 7.528 6 HE1 TRP 90 HE1 TRP 90 -7.882 0.676 8.488 7 HE3 TRP 90 HE3 TRP 90 -10.019 -0.729 3.770 8 HZ2 TRP 90 HZ2 TRP 90 -10.159 2.212 7.807 9 HZ3 TRP 90 HZ3 TRP 90 -11.728 0.998 4.003 10 HH2 TRP 90 HH2 TRP 90 -11.811 2.453 5.958 No H/Q in entry = 10 In of MODEL 6 1 H ASP 91 H ASP 91 -7.760 -3.937 8.067 2 HA ASP 91 HA ASP 91 -9.828 -5.911 7.847 3 HB2 ASP 91 HB2 ASP 91 -9.929 -5.747 10.328 4 HB3 ASP 91 HB3 ASP 91 -8.297 -6.029 9.728 No H/Q in entry = 4 In of MODEL 6 1 H ARG 92 H ARG 92 -11.739 -5.373 7.115 2 HA ARG 92 HA ARG 92 -13.569 -3.738 8.403 3 HB2 ARG 92 HB2 ARG 92 -13.696 -1.743 7.078 4 HB3 ARG 92 HB3 ARG 92 -11.991 -1.955 7.481 5 HG2 ARG 92 HG2 ARG 92 -11.659 -1.543 5.315 6 HG3 ARG 92 HG3 ARG 92 -12.037 -3.264 5.126 7 HD2 ARG 92 HD2 ARG 92 -13.411 -0.991 4.000 8 HD3 ARG 92 HD3 ARG 92 -13.768 -2.710 3.800 9 HE ARG 92 HE ARG 92 -14.803 -1.485 6.217 10 HH11 ARG 92 HH11 ARG 92 -15.424 -2.404 2.889 11 HH12 ARG 92 HH12 ARG 92 -17.140 -2.431 3.088 12 HH21 ARG 92 HH21 ARG 92 -17.053 -1.520 6.484 13 HH22 ARG 92 HH22 ARG 92 -18.078 -1.921 5.138 No H/Q in entry = 13 In of MODEL 6 1 H ASP 93 H ASP 93 -12.558 -5.698 5.875 2 HA ASP 93 HA ASP 93 -15.208 -6.313 4.995 3 HB2 ASP 93 HB2 ASP 93 -14.561 -4.180 3.745 4 HB3 ASP 93 HB3 ASP 93 -13.383 -5.178 2.880 No H/Q in entry = 4 In of MODEL 6 1 HA MET 94 HA MET 94 -11.710 -9.080 3.391 2 HB2 MET 94 HB2 MET 94 -9.610 -9.724 4.611 3 HB3 MET 94 HB3 MET 94 -9.637 -8.066 4.018 4 HG2 MET 94 HG2 MET 94 -10.078 -7.218 6.257 5 HG3 MET 94 HG3 MET 94 -10.249 -8.868 6.870 6 HE1 MET 94 HE1 MET 94 -7.968 -10.507 5.656 7 HE2 MET 94 HE2 MET 94 -6.652 -10.245 6.798 8 HE3 MET 94 HE3 MET 94 -8.297 -10.479 7.389 No H/Q in entry = 8 In of MODEL 7 1 HA MET 1 HA MET 1 5.335 -7.936 5.995 2 HB2 MET 1 HB2 MET 1 5.324 -9.001 8.203 3 HB3 MET 1 HB3 MET 1 5.214 -7.426 8.973 4 HG2 MET 1 HG2 MET 1 3.063 -8.610 8.907 5 HG3 MET 1 HG3 MET 1 3.020 -7.071 8.046 6 HE1 MET 1 HE1 MET 1 0.763 -9.263 7.706 7 HE2 MET 1 HE2 MET 1 0.774 -7.738 6.821 8 HE3 MET 1 HE3 MET 1 0.544 -9.256 5.956 No H/Q in entry = 8 In of MODEL 7 1 H ILE 2 H ILE 2 3.506 -6.659 5.633 2 HA ILE 2 HA ILE 2 4.043 -3.780 5.803 3 HB ILE 2 HB ILE 2 1.803 -5.028 4.215 4 HG12 ILE 2 HG12 ILE 2 4.372 -4.541 2.805 5 HG13 ILE 2 HG13 ILE 2 4.276 -5.985 3.814 6 HG21 ILE 2 HG21 ILE 2 2.023 -2.534 4.500 7 HG22 ILE 2 HG22 ILE 2 3.491 -2.630 3.517 8 HG23 ILE 2 HG23 ILE 2 1.940 -3.117 2.843 9 HD11 ILE 2 HD11 ILE 2 2.231 -6.650 2.575 10 HD12 ILE 2 HD12 ILE 2 2.486 -5.274 1.500 11 HD13 ILE 2 HD13 ILE 2 3.684 -6.569 1.578 No H/Q in entry = 11 In of MODEL 7 1 H GLN 3 H GLN 3 2.698 -2.459 6.985 2 HA GLN 3 HA GLN 3 0.223 -3.674 8.015 3 HB2 GLN 3 HB2 GLN 3 1.996 -1.576 9.306 4 HB3 GLN 3 HB3 GLN 3 0.423 -2.073 9.926 5 HG2 GLN 3 HG2 GLN 3 2.104 -3.199 11.186 6 HG3 GLN 3 HG3 GLN 3 1.291 -4.406 10.179 7 HE21 GLN 3 HE21 GLN 3 3.779 -2.087 9.179 8 HE22 GLN 3 HE22 GLN 3 4.980 -3.279 8.810 No H/Q in entry = 8 In of MODEL 7 1 H VAL 4 H VAL 4 -1.447 -2.905 6.880 2 HA VAL 4 HA VAL 4 -1.293 -0.248 5.701 3 HB VAL 4 HB VAL 4 -3.595 -0.887 4.725 4 HG11 VAL 4 HG11 VAL 4 -1.159 -2.514 4.001 5 HG12 VAL 4 HG12 VAL 4 -2.576 -2.278 2.979 6 HG13 VAL 4 HG13 VAL 4 -1.557 -0.903 3.404 7 HG21 VAL 4 HG21 VAL 4 -2.728 -3.591 5.735 8 HG22 VAL 4 HG22 VAL 4 -4.126 -2.669 6.285 9 HG23 VAL 4 HG23 VAL 4 -4.071 -3.284 4.634 No H/Q in entry = 9 In of MODEL 7 1 H TYR 5 H TYR 5 -2.889 1.290 5.895 2 HA TYR 5 HA TYR 5 -4.803 1.195 8.072 3 HB2 TYR 5 HB2 TYR 5 -2.492 3.156 8.007 4 HB3 TYR 5 HB3 TYR 5 -3.947 3.413 8.957 5 HD1 TYR 5 HD1 TYR 5 -0.718 2.790 9.406 6 HD2 TYR 5 HD2 TYR 5 -4.404 0.843 10.300 7 HE1 TYR 5 HE1 TYR 5 0.363 1.625 11.274 8 HE2 TYR 5 HE2 TYR 5 -3.318 -0.344 12.177 9 HH TYR 5 HH TYR 5 -1.065 -0.998 12.910 No H/Q in entry = 9 In of MODEL 7 1 H SER 6 H SER 6 -5.809 3.603 8.095 2 HA SER 6 HA SER 6 -5.655 4.754 5.392 3 HB2 SER 6 HB2 SER 6 -8.089 5.153 5.417 4 HB3 SER 6 HB3 SER 6 -7.784 3.409 5.604 5 HG SER 6 HG SER 6 -8.020 3.721 7.887 No H/Q in entry = 5 In of MODEL 7 1 H ARG 7 H ARG 7 -6.223 6.985 5.285 2 HA ARG 7 HA ARG 7 -5.120 8.409 7.537 3 HB2 ARG 7 HB2 ARG 7 -4.942 8.800 4.877 4 HB3 ARG 7 HB3 ARG 7 -6.267 9.905 5.228 5 HG2 ARG 7 HG2 ARG 7 -3.636 9.982 6.679 6 HG3 ARG 7 HG3 ARG 7 -3.975 10.917 5.222 7 HD2 ARG 7 HD2 ARG 7 -5.907 11.938 6.389 8 HD3 ARG 7 HD3 ARG 7 -5.440 11.073 7.852 9 HE ARG 7 HE ARG 7 -3.261 12.589 6.869 10 HH11 ARG 7 HH11 ARG 7 -6.321 12.909 8.538 11 HH12 ARG 7 HH12 ARG 7 -5.908 14.411 9.295 12 HH21 ARG 7 HH21 ARG 7 -2.699 14.574 7.855 13 HH22 ARG 7 HH22 ARG 7 -3.841 15.362 8.912 No H/Q in entry = 13 In of MODEL 7 1 H HIS 8 H HIS 8 -8.284 7.680 6.411 2 HA HIS 8 HA HIS 8 -9.464 9.573 8.309 3 HB2 HIS 8 HB2 HIS 8 -10.215 9.382 5.385 4 HB3 HIS 8 HB3 HIS 8 -11.197 10.196 6.595 5 HD2 HIS 8 HD2 HIS 8 -8.905 11.213 3.975 6 HE1 HIS 8 HE1 HIS 8 -8.140 13.920 7.133 7 HE2 HIS 8 HE2 HIS 8 -8.067 13.583 4.625 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 9 HA PRO 9 -12.218 6.332 9.405 2 HB2 PRO 9 HB2 PRO 9 -14.603 8.015 9.185 3 HB3 PRO 9 HB3 PRO 9 -13.866 7.290 10.627 4 HG2 PRO 9 HG2 PRO 9 -13.790 9.979 10.053 5 HG3 PRO 9 HG3 PRO 9 -12.559 9.142 11.015 6 HD2 PRO 9 HD2 PRO 9 -12.431 10.113 8.198 7 HD3 PRO 9 HD3 PRO 9 -11.144 9.946 9.410 No H/Q in entry = 7 In of MODEL 7 1 H ALA 10 H ALA 10 -13.159 4.692 8.358 2 HA ALA 10 HA ALA 10 -13.728 4.692 5.627 3 HB1 ALA 10 HB1 ALA 10 -14.622 2.461 5.997 4 HB2 ALA 10 HB2 ALA 10 -13.142 2.696 6.930 5 HB3 ALA 10 HB3 ALA 10 -14.711 2.769 7.732 No H/Q in entry = 5 In of MODEL 7 1 H GLU 11 H GLU 11 -15.357 6.083 4.831 2 HA GLU 11 HA GLU 11 -18.071 5.499 5.851 3 HB2 GLU 11 HB2 GLU 11 -16.938 7.940 6.007 4 HB3 GLU 11 HB3 GLU 11 -17.507 8.028 4.352 5 HG2 GLU 11 HG2 GLU 11 -19.222 7.549 6.778 6 HG3 GLU 11 HG3 GLU 11 -19.053 9.057 5.892 No H/Q in entry = 6 In of MODEL 7 1 H ASN 12 H ASN 12 -18.866 4.022 4.393 2 HA ASN 12 HA ASN 12 -18.138 3.514 1.836 3 HB2 ASN 12 HB2 ASN 12 -19.665 2.015 2.835 4 HB3 ASN 12 HB3 ASN 12 -20.839 3.276 3.200 5 HD21 ASN 12 HD21 ASN 12 -22.271 3.919 1.603 6 HD22 ASN 12 HD22 ASN 12 -22.453 3.067 0.103 No H/Q in entry = 6 In of MODEL 7 1 H GLY 13 H GLY 13 -18.031 4.660 0.028 2 HA2 GLY 13 HA2 GLY 13 -20.074 6.747 -0.475 3 HA3 GLY 13 HA3 GLY 13 -19.246 5.830 -1.719 No H/Q in entry = 3 In of MODEL 7 1 H LYS 14 H LYS 14 -17.256 6.910 0.893 2 HA LYS 14 HA LYS 14 -16.693 9.483 -0.373 3 HB2 LYS 14 HB2 LYS 14 -15.169 8.295 1.939 4 HB3 LYS 14 HB3 LYS 14 -15.254 9.971 1.454 5 HG2 LYS 14 HG2 LYS 14 -17.534 8.408 2.652 6 HG3 LYS 14 HG3 LYS 14 -16.438 9.457 3.529 7 HD2 LYS 14 HD2 LYS 14 -18.383 10.702 3.185 8 HD3 LYS 14 HD3 LYS 14 -17.201 11.347 2.052 9 HE2 LYS 14 HE2 LYS 14 -19.360 11.131 0.991 10 HE3 LYS 14 HE3 LYS 14 -18.213 10.000 0.272 11 HZ1 LYS 14 HZ1 LYS 14 -20.113 9.229 2.424 12 HZ2 LYS 14 HZ2 LYS 14 -20.482 9.076 0.776 13 HZ3 LYS 14 HZ3 LYS 14 -19.191 8.208 1.444 No H/Q in entry = 13 In of MODEL 7 1 H SER 15 H SER 15 -14.810 10.029 -1.417 2 HA SER 15 HA SER 15 -12.885 7.875 -1.807 3 HB2 SER 15 HB2 SER 15 -11.901 9.772 -3.410 4 HB3 SER 15 HB3 SER 15 -13.158 8.644 -3.920 5 HG SER 15 HG SER 15 -13.518 11.303 -2.944 No H/Q in entry = 5 In of MODEL 7 1 H ASN 16 H ASN 16 -10.846 7.964 -1.148 2 HA ASN 16 HA ASN 16 -9.805 10.159 0.404 3 HB2 ASN 16 HB2 ASN 16 -10.286 7.520 1.832 4 HB3 ASN 16 HB3 ASN 16 -9.524 8.948 2.502 5 HD21 ASN 16 HD21 ASN 16 -10.844 9.322 4.180 6 HD22 ASN 16 HD22 ASN 16 -12.536 9.650 4.070 No H/Q in entry = 6 In of MODEL 7 1 H PHE 17 H PHE 17 -7.891 8.245 1.782 2 HA PHE 17 HA PHE 17 -6.509 7.317 -0.639 3 HB2 PHE 17 HB2 PHE 17 -5.472 9.077 1.566 4 HB3 PHE 17 HB3 PHE 17 -4.377 8.113 0.579 5 HD1 PHE 17 HD1 PHE 17 -4.905 11.276 0.884 6 HD2 PHE 17 HD2 PHE 17 -5.811 8.285 -1.992 7 HE1 PHE 17 HE1 PHE 17 -4.939 12.993 -0.880 8 HE2 PHE 17 HE2 PHE 17 -5.848 9.991 -3.775 9 HZ PHE 17 HZ PHE 17 -5.410 12.353 -3.214 No H/Q in entry = 9 In of MODEL 7 1 H LEU 18 H LEU 18 -5.555 5.351 -0.519 2 HA LEU 18 HA LEU 18 -5.691 3.932 2.034 3 HB2 LEU 18 HB2 LEU 18 -6.571 2.648 0.227 4 HB3 LEU 18 HB3 LEU 18 -5.185 2.997 -0.789 5 HG LEU 18 HG LEU 18 -3.762 1.536 0.566 6 HD11 LEU 18 HD11 LEU 18 -6.226 1.108 2.257 7 HD12 LEU 18 HD12 LEU 18 -4.770 0.118 2.332 8 HD13 LEU 18 HD13 LEU 18 -4.694 1.823 2.765 9 HD21 LEU 18 HD21 LEU 18 -6.372 0.263 -0.252 10 HD22 LEU 18 HD22 LEU 18 -4.941 0.497 -1.257 11 HD23 LEU 18 HD23 LEU 18 -4.886 -0.615 0.110 No H/Q in entry = 11 In of MODEL 7 1 H ASN 19 H ASN 19 -4.006 3.803 3.290 2 HA ASN 19 HA ASN 19 -1.396 4.612 2.212 3 HB2 ASN 19 HB2 ASN 19 -2.678 5.012 4.917 4 HB3 ASN 19 HB3 ASN 19 -0.931 5.150 4.708 5 HD21 ASN 19 HD21 ASN 19 -0.841 7.320 5.166 6 HD22 ASN 19 HD22 ASN 19 -1.506 8.528 4.125 No H/Q in entry = 6 In of MODEL 7 1 H CYS 20 H CYS 20 -0.017 3.003 1.920 2 HA CYS 20 HA CYS 20 -0.122 0.651 3.703 3 HB2 CYS 20 HB2 CYS 20 -0.527 -0.106 1.507 4 HB3 CYS 20 HB3 CYS 20 0.604 1.041 0.783 No H/Q in entry = 4 In of MODEL 7 1 H TYR 21 H TYR 21 1.521 0.624 5.164 2 HA TYR 21 HA TYR 21 3.948 2.159 4.611 3 HB2 TYR 21 HB2 TYR 21 3.189 0.760 7.186 4 HB3 TYR 21 HB3 TYR 21 4.459 1.955 6.964 5 HD1 TYR 21 HD1 TYR 21 3.935 4.316 6.867 6 HD2 TYR 21 HD2 TYR 21 0.860 1.412 7.255 7 HE1 TYR 21 HE1 TYR 21 2.345 6.101 7.429 8 HE2 TYR 21 HE2 TYR 21 -0.750 3.193 7.820 9 HH TYR 21 HH TYR 21 -0.036 6.520 7.405 No H/Q in entry = 9 In of MODEL 7 1 H VAL 22 H VAL 22 5.669 1.196 3.844 2 HA VAL 22 HA VAL 22 5.971 -1.701 4.167 3 HB VAL 22 HB VAL 22 7.167 0.213 2.111 4 HG11 VAL 22 HG11 VAL 22 8.723 -1.639 2.536 5 HG12 VAL 22 HG12 VAL 22 7.426 -2.798 2.226 6 HG13 VAL 22 HG13 VAL 22 8.000 -1.748 0.931 7 HG21 VAL 22 HG21 VAL 22 4.982 -1.868 1.926 8 HG22 VAL 22 HG22 VAL 22 4.833 -0.123 1.698 9 HG23 VAL 22 HG23 VAL 22 5.732 -1.090 0.527 No H/Q in entry = 9 In of MODEL 7 1 H SER 23 H SER 23 7.860 -2.516 5.024 2 HA SER 23 HA SER 23 8.999 -0.922 7.075 3 HB2 SER 23 HB2 SER 23 8.406 -3.340 7.261 4 HB3 SER 23 HB3 SER 23 9.760 -3.720 6.199 5 HG SER 23 HG SER 23 10.569 -3.939 8.206 No H/Q in entry = 5 In of MODEL 7 1 H GLY 24 H GLY 24 11.736 -2.117 7.076 2 HA2 GLY 24 HA2 GLY 24 13.619 -0.781 6.942 3 HA3 GLY 24 HA3 GLY 24 12.765 0.308 5.862 No H/Q in entry = 3 In of MODEL 7 1 H PHE 25 H PHE 25 12.135 -0.904 3.731 2 HA PHE 25 HA PHE 25 14.430 -2.430 2.737 3 HB2 PHE 25 HB2 PHE 25 11.792 -1.778 1.399 4 HB3 PHE 25 HB3 PHE 25 13.042 -2.831 0.752 5 HD1 PHE 25 HD1 PHE 25 10.584 -2.490 3.514 6 HD2 PHE 25 HD2 PHE 25 13.143 -5.130 1.361 7 HE1 PHE 25 HE1 PHE 25 9.533 -4.418 4.642 8 HE2 PHE 25 HE2 PHE 25 12.089 -7.067 2.483 9 HZ PHE 25 HZ PHE 25 10.264 -6.698 4.098 No H/Q in entry = 9 In of MODEL 7 1 H HIS 26 H HIS 26 15.344 -1.787 0.671 2 HA HIS 26 HA HIS 26 15.612 1.139 0.603 3 HB2 HIS 26 HB2 HIS 26 17.779 0.297 0.583 4 HB3 HIS 26 HB3 HIS 26 17.346 -1.072 -0.464 5 HD2 HIS 26 HD2 HIS 26 16.899 2.730 -1.431 6 HE1 HIS 26 HE1 HIS 26 19.860 0.947 -3.874 7 HE2 HIS 26 HE2 HIS 26 18.360 2.965 -3.568 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 27 HA PRO 27 12.286 1.632 -2.168 2 HB2 PRO 27 HB2 PRO 27 13.956 4.021 -2.859 3 HB3 PRO 27 HB3 PRO 27 12.227 3.940 -2.504 4 HG2 PRO 27 HG2 PRO 27 13.946 4.798 -0.666 5 HG3 PRO 27 HG3 PRO 27 12.566 3.759 -0.206 6 HD2 PRO 27 HD2 PRO 27 15.473 3.110 -0.416 7 HD3 PRO 27 HD3 PRO 27 14.228 2.413 0.643 No H/Q in entry = 7 In of MODEL 7 1 H SER 28 H SER 28 15.524 1.309 -3.288 2 HA SER 28 HA SER 28 14.863 1.882 -6.025 3 HB2 SER 28 HB2 SER 28 17.084 2.446 -4.947 4 HB3 SER 28 HB3 SER 28 17.444 0.720 -4.981 5 HG SER 28 HG SER 28 17.162 0.785 -7.277 No H/Q in entry = 5 In of MODEL 7 1 H ASP 29 H ASP 29 15.356 -1.101 -4.077 2 HA ASP 29 HA ASP 29 14.831 -2.610 -6.581 3 HB2 ASP 29 HB2 ASP 29 16.284 -3.721 -4.172 4 HB3 ASP 29 HB3 ASP 29 16.106 -4.458 -5.758 No H/Q in entry = 4 In of MODEL 7 1 H ILE 30 H ILE 30 12.620 -1.702 -4.885 2 HA ILE 30 HA ILE 30 11.676 -4.405 -4.179 3 HB ILE 30 HB ILE 30 10.742 -3.797 -2.195 4 HG12 ILE 30 HG12 ILE 30 10.508 -0.900 -3.093 5 HG13 ILE 30 HG13 ILE 30 9.220 -2.109 -3.159 6 HG21 ILE 30 HG21 ILE 30 12.954 -1.779 -2.508 7 HG22 ILE 30 HG22 ILE 30 12.160 -2.141 -0.974 8 HG23 ILE 30 HG23 ILE 30 13.053 -3.399 -1.823 9 HD11 ILE 30 HD11 ILE 30 9.277 -2.309 -0.729 10 HD12 ILE 30 HD12 ILE 30 10.571 -1.110 -0.659 11 HD13 ILE 30 HD13 ILE 30 8.972 -0.650 -1.238 No H/Q in entry = 11 In of MODEL 7 1 H GLU 31 H GLU 31 9.319 -4.628 -4.137 2 HA GLU 31 HA GLU 31 7.991 -2.958 -6.175 3 HB2 GLU 31 HB2 GLU 31 7.995 -5.960 -5.867 4 HB3 GLU 31 HB3 GLU 31 6.756 -5.110 -6.776 5 HG2 GLU 31 HG2 GLU 31 8.321 -4.344 -8.385 6 HG3 GLU 31 HG3 GLU 31 9.692 -4.833 -7.393 No H/Q in entry = 6 In of MODEL 7 1 H VAL 32 H VAL 32 6.322 -1.939 -5.233 2 HA VAL 32 HA VAL 32 4.624 -3.441 -3.379 3 HB VAL 32 HB VAL 32 5.522 -2.247 -1.657 4 HG11 VAL 32 HG11 VAL 32 7.285 -1.309 -3.101 5 HG12 VAL 32 HG12 VAL 32 6.210 0.023 -3.515 6 HG13 VAL 32 HG13 VAL 32 6.753 -0.190 -1.848 7 HG21 VAL 32 HG21 VAL 32 3.249 -1.398 -1.784 8 HG22 VAL 32 HG22 VAL 32 4.346 -0.159 -1.175 9 HG23 VAL 32 HG23 VAL 32 3.778 -0.091 -2.843 No H/Q in entry = 9 In of MODEL 7 1 H ASP 33 H ASP 33 2.484 -3.229 -3.797 2 HA ASP 33 HA ASP 33 1.615 -0.978 -5.456 3 HB2 ASP 33 HB2 ASP 33 1.073 -3.917 -6.095 4 HB3 ASP 33 HB3 ASP 33 0.184 -2.575 -6.821 No H/Q in entry = 4 In of MODEL 7 1 H LEU 34 H LEU 34 -0.788 -0.872 -5.515 2 HA LEU 34 HA LEU 34 -1.920 -1.787 -2.952 3 HB2 LEU 34 HB2 LEU 34 -2.275 0.745 -4.478 4 HB3 LEU 34 HB3 LEU 34 -3.660 0.139 -3.593 5 HG LEU 34 HG LEU 34 -2.238 0.132 -1.512 6 HD11 LEU 34 HD11 LEU 34 -0.032 0.089 -2.560 7 HD12 LEU 34 HD12 LEU 34 -0.313 1.701 -3.224 8 HD13 LEU 34 HD13 LEU 34 -0.208 1.468 -1.478 9 HD21 LEU 34 HD21 LEU 34 -3.826 1.926 -2.023 10 HD22 LEU 34 HD22 LEU 34 -2.427 2.498 -1.117 11 HD23 LEU 34 HD23 LEU 34 -2.542 2.807 -2.848 No H/Q in entry = 11 In of MODEL 7 1 H LEU 35 H LEU 35 -3.657 -3.081 -2.984 2 HA LEU 35 HA LEU 35 -4.685 -3.853 -5.637 3 HB2 LEU 35 HB2 LEU 35 -4.159 -5.684 -3.293 4 HB3 LEU 35 HB3 LEU 35 -4.758 -6.152 -4.866 5 HG LEU 35 HG LEU 35 -1.977 -5.381 -4.061 6 HD11 LEU 35 HD11 LEU 35 -3.248 -7.662 -5.575 7 HD12 LEU 35 HD12 LEU 35 -1.514 -7.462 -5.366 8 HD13 LEU 35 HD13 LEU 35 -2.552 -7.716 -3.957 9 HD21 LEU 35 HD21 LEU 35 -2.615 -4.033 -6.087 10 HD22 LEU 35 HD22 LEU 35 -1.281 -5.162 -6.325 11 HD23 LEU 35 HD23 LEU 35 -2.888 -5.558 -6.931 No H/Q in entry = 11 In of MODEL 7 1 H LYS 36 H LYS 36 -6.648 -5.158 -5.570 2 HA LYS 36 HA LYS 36 -8.370 -4.836 -3.202 3 HB2 LYS 36 HB2 LYS 36 -9.601 -5.281 -5.886 4 HB3 LYS 36 HB3 LYS 36 -10.217 -4.325 -4.523 5 HG2 LYS 36 HG2 LYS 36 -8.709 -2.523 -5.103 6 HG3 LYS 36 HG3 LYS 36 -7.947 -3.490 -6.351 7 HD2 LYS 36 HD2 LYS 36 -9.498 -1.840 -7.304 8 HD3 LYS 36 HD3 LYS 36 -9.994 -3.496 -7.679 9 HE2 LYS 36 HE2 LYS 36 -11.887 -1.955 -7.039 10 HE3 LYS 36 HE3 LYS 36 -11.760 -3.379 -6.004 11 HZ1 LYS 36 HZ1 LYS 36 -10.612 -0.723 -5.322 12 HZ2 LYS 36 HZ2 LYS 36 -12.155 -1.230 -4.837 13 HZ3 LYS 36 HZ3 LYS 36 -10.781 -2.063 -4.296 No H/Q in entry = 13 In of MODEL 7 1 H ASN 37 H ASN 37 -8.371 -6.911 -2.336 2 HA ASN 37 HA ASN 37 -8.028 -9.188 -2.273 3 HB2 ASN 37 HB2 ASN 37 -9.944 -10.366 -3.595 4 HB3 ASN 37 HB3 ASN 37 -10.366 -9.274 -2.286 5 HD21 ASN 37 HD21 ASN 37 -10.969 -7.108 -2.861 6 HD22 ASN 37 HD22 ASN 37 -11.762 -6.786 -4.371 No H/Q in entry = 6 In of MODEL 7 1 H GLY 38 H GLY 38 -6.031 -8.423 -3.719 2 HA2 GLY 38 HA2 GLY 38 -5.591 -10.603 -5.496 3 HA3 GLY 38 HA3 GLY 38 -4.457 -9.319 -5.162 No H/Q in entry = 3 In of MODEL 7 1 H GLU 39 H GLU 39 -6.466 -7.265 -6.060 2 HA GLU 39 HA GLU 39 -6.077 -7.690 -8.940 3 HB2 GLU 39 HB2 GLU 39 -8.462 -8.062 -8.398 4 HB3 GLU 39 HB3 GLU 39 -8.539 -6.465 -7.668 5 HG2 GLU 39 HG2 GLU 39 -9.511 -6.425 -9.889 6 HG3 GLU 39 HG3 GLU 39 -8.044 -5.448 -9.841 No H/Q in entry = 6 In of MODEL 7 1 H ARG 40 H ARG 40 -4.667 -6.257 -9.567 2 HA ARG 40 HA ARG 40 -3.758 -4.043 -8.192 3 HB2 ARG 40 HB2 ARG 40 -2.971 -5.342 -10.425 4 HB3 ARG 40 HB3 ARG 40 -3.709 -3.939 -11.178 5 HG2 ARG 40 HG2 ARG 40 -2.222 -2.481 -9.857 6 HG3 ARG 40 HG3 ARG 40 -1.441 -3.913 -9.200 7 HD2 ARG 40 HD2 ARG 40 -0.111 -3.046 -11.028 8 HD3 ARG 40 HD3 ARG 40 -0.809 -4.587 -11.528 9 HE ARG 40 HE ARG 40 -2.534 -2.496 -12.288 10 HH11 ARG 40 HH11 ARG 40 0.594 -3.864 -13.097 11 HH12 ARG 40 HH12 ARG 40 0.545 -3.328 -14.752 12 HH21 ARG 40 HH21 ARG 40 -2.618 -1.833 -14.475 13 HH22 ARG 40 HH22 ARG 40 -1.284 -2.173 -15.535 No H/Q in entry = 13 In of MODEL 7 1 H ILE 41 H ILE 41 -4.360 -2.023 -7.946 2 HA ILE 41 HA ILE 41 -6.973 -1.157 -8.784 3 HB ILE 41 HB ILE 41 -4.852 0.308 -7.255 4 HG12 ILE 41 HG12 ILE 41 -7.193 -1.332 -6.276 5 HG13 ILE 41 HG13 ILE 41 -5.499 -1.777 -6.127 6 HG21 ILE 41 HG21 ILE 41 -6.488 1.846 -8.191 7 HG22 ILE 41 HG22 ILE 41 -7.802 0.887 -7.512 8 HG23 ILE 41 HG23 ILE 41 -6.688 1.737 -6.440 9 HD11 ILE 41 HD11 ILE 41 -6.463 0.749 -4.877 10 HD12 ILE 41 HD12 ILE 41 -6.779 -0.808 -4.105 11 HD13 ILE 41 HD13 ILE 41 -5.117 -0.307 -4.433 No H/Q in entry = 11 In of MODEL 7 1 H GLU 42 H GLU 42 -4.114 0.885 -8.678 2 HA GLU 42 HA GLU 42 -2.680 0.822 -10.767 3 HB2 GLU 42 HB2 GLU 42 -5.358 1.480 -11.879 4 HB3 GLU 42 HB3 GLU 42 -3.947 2.295 -12.535 5 HG2 GLU 42 HG2 GLU 42 -4.478 0.411 -13.846 6 HG3 GLU 42 HG3 GLU 42 -2.939 0.143 -13.057 No H/Q in entry = 6 In of MODEL 7 1 H LYS 43 H LYS 43 -5.036 3.092 -9.387 2 HA LYS 43 HA LYS 43 -3.704 5.427 -10.383 3 HB2 LYS 43 HB2 LYS 43 -5.709 5.269 -8.125 4 HB3 LYS 43 HB3 LYS 43 -5.326 6.669 -9.109 5 HG2 LYS 43 HG2 LYS 43 -6.914 4.226 -9.905 6 HG3 LYS 43 HG3 LYS 43 -7.455 5.905 -9.804 7 HD2 LYS 43 HD2 LYS 43 -5.728 6.399 -11.613 8 HD3 LYS 43 HD3 LYS 43 -5.620 4.648 -11.817 9 HE2 LYS 43 HE2 LYS 43 -8.033 4.559 -12.277 10 HE3 LYS 43 HE3 LYS 43 -8.128 6.309 -12.082 11 HZ1 LYS 43 HZ1 LYS 43 -6.430 4.967 -14.118 12 HZ2 LYS 43 HZ2 LYS 43 -7.995 5.546 -14.423 13 HZ3 LYS 43 HZ3 LYS 43 -6.763 6.627 -13.991 No H/Q in entry = 13 In of MODEL 7 1 H VAL 44 H VAL 44 -1.650 4.202 -9.200 2 HA VAL 44 HA VAL 44 -1.467 5.406 -6.528 3 HB VAL 44 HB VAL 44 -1.537 2.669 -6.970 4 HG11 VAL 44 HG11 VAL 44 1.315 3.499 -6.598 5 HG12 VAL 44 HG12 VAL 44 0.705 1.870 -6.326 6 HG13 VAL 44 HG13 VAL 44 0.649 2.573 -7.943 7 HG21 VAL 44 HG21 VAL 44 -1.993 3.813 -4.878 8 HG22 VAL 44 HG22 VAL 44 -0.883 2.462 -4.648 9 HG23 VAL 44 HG23 VAL 44 -0.269 4.117 -4.666 No H/Q in entry = 9 In of MODEL 7 1 H GLU 45 H GLU 45 0.264 6.659 -6.251 2 HA GLU 45 HA GLU 45 2.659 6.293 -7.847 3 HB2 GLU 45 HB2 GLU 45 0.771 8.579 -8.212 4 HB3 GLU 45 HB3 GLU 45 2.498 8.881 -8.341 5 HG2 GLU 45 HG2 GLU 45 0.995 6.838 -9.950 6 HG3 GLU 45 HG3 GLU 45 1.394 8.465 -10.506 No H/Q in entry = 6 In of MODEL 7 1 H HIS 46 H HIS 46 4.153 6.281 -6.244 2 HA HIS 46 HA HIS 46 4.536 8.832 -4.914 3 HB2 HIS 46 HB2 HIS 46 3.258 6.906 -3.482 4 HB3 HIS 46 HB3 HIS 46 4.932 6.494 -3.140 5 HD2 HIS 46 HD2 HIS 46 5.861 9.764 -3.020 6 HE1 HIS 46 HE1 HIS 46 3.320 9.644 0.356 7 HE2 HIS 46 HE2 HIS 46 5.338 10.767 -0.685 No H/Q in entry = 7 In of MODEL 7 1 H SER 47 H SER 47 6.632 9.345 -5.065 2 HA SER 47 HA SER 47 8.587 7.172 -5.418 3 HB2 SER 47 HB2 SER 47 8.452 9.654 -7.157 4 HB3 SER 47 HB3 SER 47 9.650 8.366 -7.270 5 HG SER 47 HG SER 47 6.852 8.179 -7.772 No H/Q in entry = 5 In of MODEL 7 1 H ASP 48 H ASP 48 10.116 7.394 -3.870 2 HA ASP 48 HA ASP 48 11.144 10.075 -3.369 3 HB2 ASP 48 HB2 ASP 48 9.328 9.295 -1.608 4 HB3 ASP 48 HB3 ASP 48 10.686 8.378 -0.952 No H/Q in entry = 4 In of MODEL 7 1 H LEU 49 H LEU 49 12.947 9.295 -4.514 2 HA LEU 49 HA LEU 49 15.115 9.462 -4.214 3 HB2 LEU 49 HB2 LEU 49 16.391 9.090 -2.292 4 HB3 LEU 49 HB3 LEU 49 14.932 9.915 -1.810 5 HG LEU 49 HG LEU 49 16.009 8.136 -0.283 6 HD11 LEU 49 HD11 LEU 49 13.920 9.225 0.233 7 HD12 LEU 49 HD12 LEU 49 13.049 8.057 -0.767 8 HD13 LEU 49 HD13 LEU 49 13.882 7.520 0.690 9 HD21 LEU 49 HD21 LEU 49 14.496 6.295 -2.100 10 HD22 LEU 49 HD22 LEU 49 16.237 6.322 -1.829 11 HD23 LEU 49 HD23 LEU 49 15.147 5.868 -0.518 No H/Q in entry = 11 In of MODEL 7 1 H SER 50 H SER 50 17.043 8.043 -4.277 2 HA SER 50 HA SER 50 16.102 5.692 -5.781 3 HB2 SER 50 HB2 SER 50 16.919 7.524 -7.220 4 HB3 SER 50 HB3 SER 50 18.458 7.510 -6.364 5 HG SER 50 HG SER 50 18.490 6.329 -8.351 No H/Q in entry = 5 In of MODEL 7 1 H PHE 51 H PHE 51 18.104 6.831 -3.270 2 HA PHE 51 HA PHE 51 19.321 4.216 -2.979 3 HB2 PHE 51 HB2 PHE 51 20.901 5.546 -4.384 4 HB3 PHE 51 HB3 PHE 51 21.012 6.726 -3.083 5 HD1 PHE 51 HD1 PHE 51 22.854 6.572 -1.734 6 HD2 PHE 51 HD2 PHE 51 21.314 3.029 -3.516 7 HE1 PHE 51 HE1 PHE 51 24.681 5.274 -0.721 8 HE2 PHE 51 HE2 PHE 51 23.136 1.722 -2.502 9 HZ PHE 51 HZ PHE 51 24.823 2.843 -1.103 No H/Q in entry = 9 In of MODEL 7 1 H SER 52 H SER 52 19.130 3.644 -0.945 2 HA SER 52 HA SER 52 18.224 5.443 1.054 3 HB2 SER 52 HB2 SER 52 19.214 2.599 1.243 4 HB3 SER 52 HB3 SER 52 18.498 3.484 2.590 5 HG SER 52 HG SER 52 16.651 2.910 1.807 No H/Q in entry = 5 In of MODEL 7 1 H LYS 53 H LYS 53 20.406 6.742 0.329 2 HA LYS 53 HA LYS 53 22.360 6.327 2.488 3 HB2 LYS 53 HB2 LYS 53 23.129 6.832 0.120 4 HB3 LYS 53 HB3 LYS 53 22.410 8.427 0.305 5 HG2 LYS 53 HG2 LYS 53 23.902 8.794 2.267 6 HG3 LYS 53 HG3 LYS 53 24.697 7.267 1.879 7 HD2 LYS 53 HD2 LYS 53 25.244 8.165 -0.358 8 HD3 LYS 53 HD3 LYS 53 24.520 9.706 0.110 9 HE2 LYS 53 HE2 LYS 53 26.916 9.832 0.369 10 HE3 LYS 53 HE3 LYS 53 26.151 9.871 1.958 11 HZ1 LYS 53 HZ1 LYS 53 27.245 7.398 0.738 12 HZ2 LYS 53 HZ2 LYS 53 28.144 8.402 1.767 13 HZ3 LYS 53 HZ3 LYS 53 26.751 7.624 2.341 No H/Q in entry = 13 In of MODEL 7 1 H ASP 54 H ASP 54 19.464 7.505 2.165 2 HA ASP 54 HA ASP 54 19.780 9.563 4.194 3 HB2 ASP 54 HB2 ASP 54 19.836 10.952 2.193 4 HB3 ASP 54 HB3 ASP 54 18.394 10.176 1.549 No H/Q in entry = 4 In of MODEL 7 1 H TRP 55 H TRP 55 17.465 7.944 2.032 2 HA TRP 55 HA TRP 55 15.268 7.782 3.658 3 HB2 TRP 55 HB2 TRP 55 15.462 6.787 1.351 4 HB3 TRP 55 HB3 TRP 55 16.349 5.442 2.064 5 HD1 TRP 55 HD1 TRP 55 12.846 6.807 1.584 6 HE1 TRP 55 HE1 TRP 55 11.141 5.153 2.509 7 HE3 TRP 55 HE3 TRP 55 16.044 3.516 3.980 8 HZ2 TRP 55 HZ2 TRP 55 11.104 2.811 4.015 9 HZ3 TRP 55 HZ3 TRP 55 15.039 1.599 5.132 10 HH2 TRP 55 HH2 TRP 55 12.626 1.247 5.153 No H/Q in entry = 10 In of MODEL 7 1 H SER 56 H SER 56 15.392 7.464 5.763 2 HA SER 56 HA SER 56 16.255 4.788 6.568 3 HB2 SER 56 HB2 SER 56 16.718 5.936 8.871 4 HB3 SER 56 HB3 SER 56 17.940 6.045 7.602 5 HG SER 56 HG SER 56 17.738 8.125 7.752 No H/Q in entry = 5 In of MODEL 7 1 H PHE 57 H PHE 57 13.891 7.360 6.642 2 HA PHE 57 HA PHE 57 12.386 6.556 8.791 3 HB2 PHE 57 HB2 PHE 57 10.615 7.943 7.742 4 HB3 PHE 57 HB3 PHE 57 12.166 8.746 7.867 5 HD1 PHE 57 HD1 PHE 57 9.442 8.623 5.913 6 HD2 PHE 57 HD2 PHE 57 13.635 8.055 5.534 7 HE1 PHE 57 HE1 PHE 57 9.305 9.196 3.526 8 HE2 PHE 57 HE2 PHE 57 13.511 8.614 3.149 9 HZ PHE 57 HZ PHE 57 11.340 9.192 2.140 No H/Q in entry = 9 In of MODEL 7 1 H TYR 58 H TYR 58 11.194 6.076 5.407 2 HA TYR 58 HA TYR 58 10.118 3.551 5.781 3 HB2 TYR 58 HB2 TYR 58 7.834 3.969 6.540 4 HB3 TYR 58 HB3 TYR 58 8.992 4.506 7.740 5 HD1 TYR 58 HD1 TYR 58 8.261 6.407 8.884 6 HD2 TYR 58 HD2 TYR 58 7.433 6.112 4.724 7 HE1 TYR 58 HE1 TYR 58 7.165 8.628 8.947 8 HE2 TYR 58 HE2 TYR 58 6.328 8.315 4.771 9 HH TYR 58 HH TYR 58 6.670 10.491 7.257 No H/Q in entry = 9 In of MODEL 7 1 H LEU 59 H LEU 59 8.521 2.961 4.257 2 HA LEU 59 HA LEU 59 8.377 4.763 1.906 3 HB2 LEU 59 HB2 LEU 59 8.796 1.859 2.288 4 HB3 LEU 59 HB3 LEU 59 7.808 2.322 0.918 5 HG LEU 59 HG LEU 59 10.529 3.555 1.312 6 HD11 LEU 59 HD11 LEU 59 10.836 1.131 1.473 7 HD12 LEU 59 HD12 LEU 59 9.921 0.908 -0.014 8 HD13 LEU 59 HD13 LEU 59 11.464 1.747 -0.048 9 HD21 LEU 59 HD21 LEU 59 8.670 3.054 -1.009 10 HD22 LEU 59 HD22 LEU 59 9.235 4.606 -0.379 11 HD23 LEU 59 HD23 LEU 59 10.353 3.540 -1.219 No H/Q in entry = 11 In of MODEL 7 1 H LEU 60 H LEU 60 6.433 5.501 1.390 2 HA LEU 60 HA LEU 60 4.028 3.882 1.880 3 HB2 LEU 60 HB2 LEU 60 3.892 5.468 3.602 4 HB3 LEU 60 HB3 LEU 60 4.512 6.754 2.591 5 HG LEU 60 HG LEU 60 2.329 6.657 1.327 6 HD11 LEU 60 HD11 LEU 60 1.541 4.933 3.670 7 HD12 LEU 60 HD12 LEU 60 0.435 5.620 2.480 8 HD13 LEU 60 HD13 LEU 60 1.634 4.425 1.983 9 HD21 LEU 60 HD21 LEU 60 2.825 8.375 2.991 10 HD22 LEU 60 HD22 LEU 60 1.120 7.928 3.012 11 HD23 LEU 60 HD23 LEU 60 2.205 7.323 4.263 No H/Q in entry = 11 In of MODEL 7 1 H TYR 61 H TYR 61 2.386 4.106 0.351 2 HA TYR 61 HA TYR 61 2.820 5.914 -1.940 3 HB2 TYR 61 HB2 TYR 61 1.992 2.982 -1.990 4 HB3 TYR 61 HB3 TYR 61 1.747 4.067 -3.371 5 HD1 TYR 61 HD1 TYR 61 3.398 4.151 -4.994 6 HD2 TYR 61 HD2 TYR 61 4.498 2.962 -1.069 7 HE1 TYR 61 HE1 TYR 61 5.669 3.677 -5.796 8 HE2 TYR 61 HE2 TYR 61 6.782 2.493 -1.860 9 HH TYR 61 HH TYR 61 7.923 1.935 -3.978 No H/Q in entry = 9 In of MODEL 7 1 H TYR 62 H TYR 62 0.681 6.331 -3.159 2 HA TYR 62 HA TYR 62 -1.604 5.916 -1.396 3 HB2 TYR 62 HB2 TYR 62 -2.365 8.287 -1.714 4 HB3 TYR 62 HB3 TYR 62 -1.004 8.043 -0.639 5 HD1 TYR 62 HD1 TYR 62 0.784 9.488 -0.804 6 HD2 TYR 62 HD2 TYR 62 -1.677 8.950 -4.242 7 HE1 TYR 62 HE1 TYR 62 2.013 11.269 -1.968 8 HE2 TYR 62 HE2 TYR 62 -0.448 10.729 -5.404 9 HH TYR 62 HH TYR 62 2.480 12.046 -4.189 No H/Q in entry = 9 In of MODEL 7 1 H THR 63 H THR 63 -3.573 5.732 -2.307 2 HA THR 63 HA THR 63 -3.936 6.263 -5.168 3 HB THR 63 HB THR 63 -3.286 3.762 -4.649 4 HG1 THR 63 HG1 THR 63 -4.315 4.790 -6.608 5 HG21 THR 63 HG21 THR 63 -4.923 3.408 -2.846 6 HG22 THR 63 HG22 THR 63 -6.229 3.736 -3.985 7 HG23 THR 63 HG23 THR 63 -5.201 2.320 -4.206 No H/Q in entry = 7 In of MODEL 7 1 H GLU 64 H GLU 64 -6.081 6.801 -5.687 2 HA GLU 64 HA GLU 64 -7.788 7.713 -3.626 3 HB2 GLU 64 HB2 GLU 64 -7.787 8.688 -5.935 4 HB3 GLU 64 HB3 GLU 64 -8.452 7.181 -6.544 5 HG2 GLU 64 HG2 GLU 64 -10.455 7.544 -5.118 6 HG3 GLU 64 HG3 GLU 64 -9.768 9.087 -4.612 No H/Q in entry = 6 In of MODEL 7 1 H PHE 65 H PHE 65 -9.455 6.668 -2.531 2 HA PHE 65 HA PHE 65 -10.363 4.120 -3.679 3 HB2 PHE 65 HB2 PHE 65 -10.293 2.987 -1.615 4 HB3 PHE 65 HB3 PHE 65 -8.778 3.843 -1.753 5 HD1 PHE 65 HD1 PHE 65 -12.130 4.901 -0.435 6 HD2 PHE 65 HD2 PHE 65 -7.982 4.338 0.306 7 HE1 PHE 65 HE1 PHE 65 -12.411 5.809 1.839 8 HE2 PHE 65 HE2 PHE 65 -8.267 5.244 2.582 9 HZ PHE 65 HZ PHE 65 -10.490 5.986 3.353 No H/Q in entry = 9 In of MODEL 7 1 H THR 66 H THR 66 -12.498 3.495 -3.244 2 HA THR 66 HA THR 66 -14.073 5.203 -1.449 3 HB THR 66 HB THR 66 -15.009 4.214 -4.170 4 HG1 THR 66 HG1 THR 66 -13.781 6.517 -3.302 5 HG21 THR 66 HG21 THR 66 -16.404 5.855 -2.035 6 HG22 THR 66 HG22 THR 66 -16.996 5.644 -3.689 7 HG23 THR 66 HG23 THR 66 -16.857 4.250 -2.619 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 67 HA PRO 67 -14.553 0.932 -0.081 2 HB2 PRO 67 HB2 PRO 67 -15.933 1.698 2.275 3 HB3 PRO 67 HB3 PRO 67 -14.240 1.245 2.122 4 HG2 PRO 67 HG2 PRO 67 -15.256 3.818 2.704 5 HG3 PRO 67 HG3 PRO 67 -13.575 3.375 2.378 6 HD2 PRO 67 HD2 PRO 67 -15.503 4.748 0.672 7 HD3 PRO 67 HD3 PRO 67 -13.740 4.644 0.521 No H/Q in entry = 7 In of MODEL 7 1 H THR 68 H THR 68 -16.003 -0.502 -0.247 2 HA THR 68 HA THR 68 -18.862 0.163 -0.325 3 HB THR 68 HB THR 68 -19.138 -1.379 -2.226 4 HG1 THR 68 HG1 THR 68 -16.935 -1.933 -3.255 5 HG21 THR 68 HG21 THR 68 -18.710 0.991 -2.739 6 HG22 THR 68 HG22 THR 68 -16.979 0.659 -2.792 7 HG23 THR 68 HG23 THR 68 -18.052 -0.075 -3.982 No H/Q in entry = 7 In of MODEL 7 1 H GLU 69 H GLU 69 -20.209 -1.750 0.213 2 HA GLU 69 HA GLU 69 -19.207 -3.439 2.203 3 HB2 GLU 69 HB2 GLU 69 -21.527 -3.104 2.186 4 HB3 GLU 69 HB3 GLU 69 -21.690 -3.479 0.480 5 HG2 GLU 69 HG2 GLU 69 -22.641 -5.301 1.556 6 HG3 GLU 69 HG3 GLU 69 -21.021 -5.858 1.127 No H/Q in entry = 6 In of MODEL 7 1 H LYS 70 H LYS 70 -18.392 -3.584 -1.035 2 HA LYS 70 HA LYS 70 -18.090 -6.494 -0.964 3 HB2 LYS 70 HB2 LYS 70 -18.398 -4.635 -3.316 4 HB3 LYS 70 HB3 LYS 70 -17.950 -6.322 -3.484 5 HG2 LYS 70 HG2 LYS 70 -20.509 -5.515 -2.107 6 HG3 LYS 70 HG3 LYS 70 -20.400 -5.674 -3.860 7 HD2 LYS 70 HD2 LYS 70 -21.111 -7.779 -3.304 8 HD3 LYS 70 HD3 LYS 70 -19.370 -8.027 -3.288 9 HE2 LYS 70 HE2 LYS 70 -19.809 -7.287 -0.708 10 HE3 LYS 70 HE3 LYS 70 -21.330 -8.078 -1.089 11 HZ1 LYS 70 HZ1 LYS 70 -20.037 -10.016 -1.848 12 HZ2 LYS 70 HZ2 LYS 70 -18.617 -9.262 -1.299 13 HZ3 LYS 70 HZ3 LYS 70 -19.835 -9.682 -0.198 No H/Q in entry = 13 In of MODEL 7 1 H ASP 71 H ASP 71 -16.213 -3.540 -1.661 2 HA ASP 71 HA ASP 71 -14.168 -5.234 -2.837 3 HB2 ASP 71 HB2 ASP 71 -14.342 -2.220 -2.712 4 HB3 ASP 71 HB3 ASP 71 -13.109 -3.136 -3.549 No H/Q in entry = 4 In of MODEL 7 1 H GLU 72 H GLU 72 -12.434 -5.797 -1.829 2 HA GLU 72 HA GLU 72 -11.727 -4.914 0.881 3 HB2 GLU 72 HB2 GLU 72 -11.896 -7.324 0.368 4 HB3 GLU 72 HB3 GLU 72 -10.724 -7.151 -0.923 5 HG2 GLU 72 HG2 GLU 72 -9.034 -6.487 0.799 6 HG3 GLU 72 HG3 GLU 72 -10.228 -6.880 2.034 No H/Q in entry = 6 In of MODEL 7 1 H TYR 73 H TYR 73 -9.630 -4.018 1.312 2 HA TYR 73 HA TYR 73 -8.070 -3.345 -1.117 3 HB2 TYR 73 HB2 TYR 73 -8.492 -1.679 1.374 4 HB3 TYR 73 HB3 TYR 73 -7.299 -1.304 0.140 5 HD1 TYR 73 HD1 TYR 73 -10.949 -1.795 0.661 6 HD2 TYR 73 HD2 TYR 73 -7.897 -0.091 -1.771 7 HE1 TYR 73 HE1 TYR 73 -12.662 -0.576 -0.644 8 HE2 TYR 73 HE2 TYR 73 -9.598 1.116 -3.070 9 HH TYR 73 HH TYR 73 -12.883 1.327 -2.080 No H/Q in entry = 9 In of MODEL 7 1 H ALA 74 H ALA 74 -6.002 -3.975 -1.214 2 HA ALA 74 HA ALA 74 -4.637 -4.802 1.258 3 HB1 ALA 74 HB1 ALA 74 -5.503 -6.806 0.239 4 HB2 ALA 74 HB2 ALA 74 -3.760 -6.754 0.038 5 HB3 ALA 74 HB3 ALA 74 -4.810 -6.352 -1.322 No H/Q in entry = 5 In of MODEL 7 1 H CYS 75 H CYS 75 -2.271 -4.837 1.077 2 HA CYS 75 HA CYS 75 -1.253 -3.439 -1.321 3 HB2 CYS 75 HB2 CYS 75 -1.169 -1.900 0.517 4 HB3 CYS 75 HB3 CYS 75 -0.398 -3.092 1.544 No H/Q in entry = 4 In of MODEL 7 1 H ARG 76 H ARG 76 0.365 -4.441 -2.400 2 HA ARG 76 HA ARG 76 1.390 -6.979 -1.313 3 HB2 ARG 76 HB2 ARG 76 0.044 -6.754 -3.510 4 HB3 ARG 76 HB3 ARG 76 1.517 -6.066 -4.175 5 HG2 ARG 76 HG2 ARG 76 2.668 -8.111 -3.975 6 HG3 ARG 76 HG3 ARG 76 1.466 -8.786 -2.871 7 HD2 ARG 76 HD2 ARG 76 1.238 -9.757 -5.149 8 HD3 ARG 76 HD3 ARG 76 -0.191 -8.826 -4.675 9 HE ARG 76 HE ARG 76 1.542 -7.094 -6.026 10 HH11 ARG 76 HH11 ARG 76 -0.289 -9.994 -6.757 11 HH12 ARG 76 HH12 ARG 76 -0.608 -9.531 -8.405 12 HH21 ARG 76 HH21 ARG 76 1.130 -6.484 -8.164 13 HH22 ARG 76 HH22 ARG 76 0.198 -7.518 -9.207 No H/Q in entry = 13 In of MODEL 7 1 H VAL 77 H VAL 77 3.573 -7.085 -0.796 2 HA VAL 77 HA VAL 77 5.364 -5.298 -2.301 3 HB VAL 77 HB VAL 77 4.878 -4.551 0.144 4 HG11 VAL 77 HG11 VAL 77 5.259 -6.713 1.199 5 HG12 VAL 77 HG12 VAL 77 6.931 -6.703 0.633 6 HG13 VAL 77 HG13 VAL 77 6.386 -5.500 1.802 7 HG21 VAL 77 HG21 VAL 77 6.574 -3.606 -1.388 8 HG22 VAL 77 HG22 VAL 77 7.068 -3.579 0.304 9 HG23 VAL 77 HG23 VAL 77 7.730 -4.795 -0.788 No H/Q in entry = 9 In of MODEL 7 1 H ASN 78 H ASN 78 7.230 -6.047 -2.935 2 HA ASN 78 HA ASN 78 8.155 -8.695 -2.014 3 HB2 ASN 78 HB2 ASN 78 6.896 -8.881 -4.191 4 HB3 ASN 78 HB3 ASN 78 8.130 -7.854 -4.924 5 HD21 ASN 78 HD21 ASN 78 8.729 -9.473 -6.356 6 HD22 ASN 78 HD22 ASN 78 9.651 -10.854 -5.852 No H/Q in entry = 6 In of MODEL 7 1 H HIS 79 H HIS 79 10.288 -9.002 -1.926 2 HA HIS 79 HA HIS 79 12.085 -6.983 -3.043 3 HB2 HIS 79 HB2 HIS 79 11.756 -6.536 -0.572 4 HB3 HIS 79 HB3 HIS 79 12.423 -8.126 -0.251 5 HD2 HIS 79 HD2 HIS 79 13.591 -4.553 -1.155 6 HE1 HIS 79 HE1 HIS 79 16.999 -7.019 -0.729 7 HE2 HIS 79 HE2 HIS 79 16.182 -4.677 -1.250 No H/Q in entry = 7 In of MODEL 7 1 H VAL 80 H VAL 80 14.299 -7.869 -3.281 2 HA VAL 80 HA VAL 80 14.434 -10.262 -4.605 3 HB VAL 80 HB VAL 80 16.693 -9.097 -2.966 4 HG11 VAL 80 HG11 VAL 80 16.757 -10.935 -5.364 5 HG12 VAL 80 HG12 VAL 80 18.165 -10.204 -4.590 6 HG13 VAL 80 HG13 VAL 80 17.176 -11.367 -3.706 7 HG21 VAL 80 HG21 VAL 80 15.836 -8.525 -5.802 8 HG22 VAL 80 HG22 VAL 80 15.789 -7.411 -4.436 9 HG23 VAL 80 HG23 VAL 80 17.338 -7.964 -5.067 No H/Q in entry = 9 In of MODEL 7 1 H THR 81 H THR 81 14.605 -9.782 -1.136 2 HA THR 81 HA THR 81 15.680 -12.392 -0.582 3 HB THR 81 HB THR 81 16.141 -10.738 1.066 4 HG1 THR 81 HG1 THR 81 15.692 -12.863 1.862 5 HG21 THR 81 HG21 THR 81 13.151 -10.375 1.391 6 HG22 THR 81 HG22 THR 81 14.393 -9.612 2.388 7 HG23 THR 81 HG23 THR 81 14.269 -9.213 0.676 No H/Q in entry = 7 In of MODEL 7 1 H LEU 82 H LEU 82 12.401 -11.025 0.004 2 HA LEU 82 HA LEU 82 11.192 -13.231 1.067 3 HB2 LEU 82 HB2 LEU 82 9.899 -11.352 -0.906 4 HB3 LEU 82 HB3 LEU 82 9.060 -12.409 0.222 5 HG LEU 82 HG LEU 82 10.881 -10.172 1.082 6 HD11 LEU 82 HD11 LEU 82 7.895 -10.241 0.770 7 HD12 LEU 82 HD12 LEU 82 8.794 -8.977 1.614 8 HD13 LEU 82 HD13 LEU 82 9.043 -9.232 -0.112 9 HD21 LEU 82 HD21 LEU 82 8.902 -11.902 2.561 10 HD22 LEU 82 HD22 LEU 82 10.655 -11.888 2.761 11 HD23 LEU 82 HD23 LEU 82 9.703 -10.486 3.242 No H/Q in entry = 11 In of MODEL 7 1 H SER 83 H SER 83 11.517 -12.521 -2.381 2 HA SER 83 HA SER 83 11.480 -13.841 -4.228 3 HB2 SER 83 HB2 SER 83 11.145 -16.204 -2.365 4 HB3 SER 83 HB3 SER 83 11.644 -16.254 -4.057 5 HG SER 83 HG SER 83 13.079 -14.850 -2.044 No H/Q in entry = 5 In of MODEL 7 1 H GLN 84 H GLN 84 9.060 -14.180 -1.789 2 HA GLN 84 HA GLN 84 7.038 -14.187 -3.910 3 HB2 GLN 84 HB2 GLN 84 5.541 -15.591 -2.555 4 HB3 GLN 84 HB3 GLN 84 7.030 -16.437 -2.939 5 HG2 GLN 84 HG2 GLN 84 7.845 -16.080 -0.669 6 HG3 GLN 84 HG3 GLN 84 6.425 -15.098 -0.297 7 HE21 GLN 84 HE21 GLN 84 5.788 -16.428 1.365 8 HE22 GLN 84 HE22 GLN 84 5.117 -18.000 1.101 No H/Q in entry = 8 In of MODEL 7 1 HA PRO 85 HA PRO 85 6.121 -10.448 -1.567 2 HB2 PRO 85 HB2 PRO 85 3.949 -9.653 -3.008 3 HB3 PRO 85 HB3 PRO 85 5.632 -9.317 -3.459 4 HG2 PRO 85 HG2 PRO 85 3.761 -11.406 -4.499 5 HG3 PRO 85 HG3 PRO 85 4.981 -10.448 -5.371 6 HD2 PRO 85 HD2 PRO 85 5.393 -13.078 -4.635 7 HD3 PRO 85 HD3 PRO 85 6.724 -11.878 -4.777 No H/Q in entry = 7 In of MODEL 7 1 H LYS 86 H LYS 86 4.501 -9.643 -0.236 2 HA LYS 86 HA LYS 86 2.529 -11.675 0.566 3 HB2 LYS 86 HB2 LYS 86 3.462 -9.353 2.247 4 HB3 LYS 86 HB3 LYS 86 2.614 -10.794 2.782 5 HG2 LYS 86 HG2 LYS 86 5.483 -10.589 1.877 6 HG3 LYS 86 HG3 LYS 86 4.907 -10.879 3.512 7 HD2 LYS 86 HD2 LYS 86 3.810 -12.885 1.806 8 HD3 LYS 86 HD3 LYS 86 5.543 -12.763 1.490 9 HE2 LYS 86 HE2 LYS 86 4.232 -13.221 4.180 10 HE3 LYS 86 HE3 LYS 86 5.150 -14.396 3.242 11 HZ1 LYS 86 HZ1 LYS 86 6.249 -11.887 4.388 12 HZ2 LYS 86 HZ2 LYS 86 6.438 -13.433 5.050 13 HZ3 LYS 86 HZ3 LYS 86 7.124 -13.072 3.543 No H/Q in entry = 13 In of MODEL 7 1 H ILE 87 H ILE 87 0.462 -10.968 1.181 2 HA ILE 87 HA ILE 87 -0.292 -8.282 0.235 3 HB ILE 87 HB ILE 87 -1.661 -10.828 -0.238 4 HG12 ILE 87 HG12 ILE 87 -1.126 -9.605 -2.162 5 HG13 ILE 87 HG13 ILE 87 -2.841 -9.247 -1.944 6 HG21 ILE 87 HG21 ILE 87 -3.228 -8.516 0.870 7 HG22 ILE 87 HG22 ILE 87 -3.949 -9.786 -0.123 8 HG23 ILE 87 HG23 ILE 87 -3.210 -10.190 1.430 9 HD11 ILE 87 HD11 ILE 87 -0.590 -7.474 -1.067 10 HD12 ILE 87 HD12 ILE 87 -1.559 -7.269 -2.523 11 HD13 ILE 87 HD13 ILE 87 -2.313 -7.134 -0.940 No H/Q in entry = 11 In of MODEL 7 1 H VAL 88 H VAL 88 -1.060 -6.900 1.642 2 HA VAL 88 HA VAL 88 -1.948 -7.898 4.262 3 HB VAL 88 HB VAL 88 0.093 -6.578 4.455 4 HG11 VAL 88 HG11 VAL 88 -1.439 -4.405 3.076 5 HG12 VAL 88 HG12 VAL 88 0.075 -4.154 3.944 6 HG13 VAL 88 HG13 VAL 88 0.037 -5.196 2.514 7 HG21 VAL 88 HG21 VAL 88 -2.405 -5.285 5.486 8 HG22 VAL 88 HG22 VAL 88 -1.339 -6.412 6.324 9 HG23 VAL 88 HG23 VAL 88 -0.792 -4.767 5.978 No H/Q in entry = 9 In of MODEL 7 1 H LYS 89 H LYS 89 -4.078 -7.546 4.653 2 HA LYS 89 HA LYS 89 -5.419 -5.693 2.823 3 HB2 LYS 89 HB2 LYS 89 -6.701 -7.982 4.304 4 HB3 LYS 89 HB3 LYS 89 -7.381 -7.042 2.986 5 HG2 LYS 89 HG2 LYS 89 -6.040 -8.060 1.405 6 HG3 LYS 89 HG3 LYS 89 -4.891 -8.624 2.618 7 HD2 LYS 89 HD2 LYS 89 -7.732 -9.568 2.385 8 HD3 LYS 89 HD3 LYS 89 -6.347 -10.427 1.710 9 HE2 LYS 89 HE2 LYS 89 -5.430 -10.663 3.985 10 HE3 LYS 89 HE3 LYS 89 -6.844 -9.830 4.632 11 HZ1 LYS 89 HZ1 LYS 89 -8.185 -11.650 3.523 12 HZ2 LYS 89 HZ2 LYS 89 -6.722 -12.495 3.347 13 HZ3 LYS 89 HZ3 LYS 89 -7.294 -12.090 4.891 No H/Q in entry = 13 In of MODEL 7 1 H TRP 90 H TRP 90 -7.073 -4.379 3.668 2 HA TRP 90 HA TRP 90 -6.423 -3.507 6.353 3 HB2 TRP 90 HB2 TRP 90 -6.541 -1.816 4.578 4 HB3 TRP 90 HB3 TRP 90 -8.207 -2.274 4.246 5 HD1 TRP 90 HD1 TRP 90 -6.547 -1.283 7.657 6 HE1 TRP 90 HE1 TRP 90 -7.913 0.592 8.677 7 HE3 TRP 90 HE3 TRP 90 -9.956 -0.621 3.848 8 HZ2 TRP 90 HZ2 TRP 90 -10.208 2.112 8.043 9 HZ3 TRP 90 HZ3 TRP 90 -11.690 1.090 4.145 10 HH2 TRP 90 HH2 TRP 90 -11.819 2.448 6.174 No H/Q in entry = 10 In of MODEL 7 1 H ASP 91 H ASP 91 -7.640 -3.727 8.104 2 HA ASP 91 HA ASP 91 -9.708 -5.685 8.138 3 HB2 ASP 91 HB2 ASP 91 -8.686 -3.808 10.277 4 HB3 ASP 91 HB3 ASP 91 -9.888 -5.061 10.560 No H/Q in entry = 4 In of MODEL 7 1 H ARG 92 H ARG 92 -11.589 -5.143 7.151 2 HA ARG 92 HA ARG 92 -13.583 -3.812 8.406 3 HB2 ARG 92 HB2 ARG 92 -13.698 -1.579 7.711 4 HB3 ARG 92 HB3 ARG 92 -11.955 -1.813 7.834 5 HG2 ARG 92 HG2 ARG 92 -12.146 -0.733 5.814 6 HG3 ARG 92 HG3 ARG 92 -12.053 -2.430 5.320 7 HD2 ARG 92 HD2 ARG 92 -14.635 -2.365 5.332 8 HD3 ARG 92 HD3 ARG 92 -14.464 -0.607 5.387 9 HE ARG 92 HE ARG 92 -12.886 -1.658 3.304 10 HH11 ARG 92 HH11 ARG 92 -16.214 -1.036 4.195 11 HH12 ARG 92 HH12 ARG 92 -16.816 -1.211 2.579 12 HH21 ARG 92 HH21 ARG 92 -13.672 -1.894 1.176 13 HH22 ARG 92 HH22 ARG 92 -15.372 -1.735 0.868 No H/Q in entry = 13 In of MODEL 7 1 H ASP 93 H ASP 93 -12.184 -5.213 5.710 2 HA ASP 93 HA ASP 93 -14.745 -5.485 4.314 3 HB2 ASP 93 HB2 ASP 93 -13.402 -5.174 2.148 4 HB3 ASP 93 HB3 ASP 93 -13.947 -3.734 3.012 No H/Q in entry = 4 In of MODEL 7 1 HA MET 94 HA MET 94 -11.367 -8.775 3.340 2 HB2 MET 94 HB2 MET 94 -9.949 -9.800 5.219 3 HB3 MET 94 HB3 MET 94 -9.424 -8.276 4.512 4 HG2 MET 94 HG2 MET 94 -9.230 -8.459 7.023 5 HG3 MET 94 HG3 MET 94 -10.076 -7.030 6.434 6 HE1 MET 94 HE1 MET 94 -10.059 -8.219 9.434 7 HE2 MET 94 HE2 MET 94 -10.900 -6.730 9.004 8 HE3 MET 94 HE3 MET 94 -11.748 -7.998 9.890 No H/Q in entry = 8 In of MODEL 8 1 HA MET 1 HA MET 1 4.971 -7.876 7.051 2 HB2 MET 1 HB2 MET 1 5.377 -8.348 9.434 3 HB3 MET 1 HB3 MET 1 5.473 -6.623 9.761 4 HG2 MET 1 HG2 MET 1 3.316 -7.537 10.410 5 HG3 MET 1 HG3 MET 1 3.148 -6.350 9.116 6 HE1 MET 1 HE1 MET 1 0.811 -8.336 9.899 7 HE2 MET 1 HE2 MET 1 0.692 -7.174 8.578 8 HE3 MET 1 HE3 MET 1 0.264 -8.863 8.308 No H/Q in entry = 8 In of MODEL 8 1 H ILE 2 H ILE 2 3.399 -6.588 6.257 2 HA ILE 2 HA ILE 2 3.939 -3.696 6.173 3 HB ILE 2 HB ILE 2 1.778 -4.999 4.531 4 HG12 ILE 2 HG12 ILE 2 4.620 -4.946 3.514 5 HG13 ILE 2 HG13 ILE 2 3.930 -6.359 4.313 6 HG21 ILE 2 HG21 ILE 2 2.126 -2.523 4.528 7 HG22 ILE 2 HG22 ILE 2 3.700 -2.802 3.766 8 HG23 ILE 2 HG23 ILE 2 2.224 -3.285 2.939 9 HD11 ILE 2 HD11 ILE 2 2.180 -6.460 2.598 10 HD12 ILE 2 HD12 ILE 2 2.905 -5.071 1.795 11 HD13 ILE 2 HD13 ILE 2 3.797 -6.585 1.909 No H/Q in entry = 11 In of MODEL 8 1 H GLN 3 H GLN 3 2.368 -2.252 6.875 2 HA GLN 3 HA GLN 3 -0.098 -3.421 7.975 3 HB2 GLN 3 HB2 GLN 3 1.662 -1.361 9.324 4 HB3 GLN 3 HB3 GLN 3 0.063 -1.845 9.892 5 HG2 GLN 3 HG2 GLN 3 0.877 -4.172 10.170 6 HG3 GLN 3 HG3 GLN 3 2.501 -3.622 9.687 7 HE21 GLN 3 HE21 GLN 3 3.672 -2.309 11.102 8 HE22 GLN 3 HE22 GLN 3 3.256 -2.161 12.772 No H/Q in entry = 8 In of MODEL 8 1 H VAL 4 H VAL 4 -1.691 -2.616 6.773 2 HA VAL 4 HA VAL 4 -1.437 0.086 5.720 3 HB VAL 4 HB VAL 4 -3.633 -0.551 4.488 4 HG11 VAL 4 HG11 VAL 4 -1.007 -1.931 3.956 5 HG12 VAL 4 HG12 VAL 4 -2.323 -1.785 2.795 6 HG13 VAL 4 HG13 VAL 4 -1.508 -0.341 3.380 7 HG21 VAL 4 HG21 VAL 4 -2.667 -3.270 5.350 8 HG22 VAL 4 HG22 VAL 4 -4.206 -2.521 5.783 9 HG23 VAL 4 HG23 VAL 4 -3.874 -2.959 4.103 No H/Q in entry = 9 In of MODEL 8 1 H TYR 5 H TYR 5 -3.060 1.595 5.793 2 HA TYR 5 HA TYR 5 -5.086 1.482 7.872 3 HB2 TYR 5 HB2 TYR 5 -2.783 3.456 7.966 4 HB3 TYR 5 HB3 TYR 5 -4.262 3.626 8.897 5 HD1 TYR 5 HD1 TYR 5 -1.018 3.031 9.365 6 HD2 TYR 5 HD2 TYR 5 -4.696 1.005 10.100 7 HE1 TYR 5 HE1 TYR 5 0.048 1.780 11.194 8 HE2 TYR 5 HE2 TYR 5 -3.627 -0.264 11.933 9 HH TYR 5 HH TYR 5 -0.567 0.599 13.201 No H/Q in entry = 9 In of MODEL 8 1 H SER 6 H SER 6 -6.007 3.965 7.903 2 HA SER 6 HA SER 6 -5.779 5.049 5.186 3 HB2 SER 6 HB2 SER 6 -8.356 4.716 6.749 4 HB3 SER 6 HB3 SER 6 -8.188 5.585 5.217 5 HG SER 6 HG SER 6 -7.135 3.065 5.130 No H/Q in entry = 5 In of MODEL 8 1 H ARG 7 H ARG 7 -6.466 7.254 4.983 2 HA ARG 7 HA ARG 7 -5.485 8.938 7.092 3 HB2 ARG 7 HB2 ARG 7 -5.701 9.167 4.348 4 HB3 ARG 7 HB3 ARG 7 -6.975 10.236 4.912 5 HG2 ARG 7 HG2 ARG 7 -4.018 10.406 5.429 6 HG3 ARG 7 HG3 ARG 7 -5.048 11.558 4.588 7 HD2 ARG 7 HD2 ARG 7 -4.774 12.605 6.608 8 HD3 ARG 7 HD3 ARG 7 -6.262 11.705 6.900 9 HE ARG 7 HE ARG 7 -4.060 10.117 7.650 10 HH11 ARG 7 HH11 ARG 7 -5.844 12.947 8.682 11 HH12 ARG 7 HH12 ARG 7 -5.371 12.800 10.351 12 HH21 ARG 7 HH21 ARG 7 -3.445 9.906 9.837 13 HH22 ARG 7 HH22 ARG 7 -3.990 11.066 11.008 No H/Q in entry = 13 In of MODEL 8 1 H HIS 8 H HIS 8 -8.599 7.782 6.107 2 HA HIS 8 HA HIS 8 -9.934 9.611 7.971 3 HB2 HIS 8 HB2 HIS 8 -10.850 9.081 5.129 4 HB3 HIS 8 HB3 HIS 8 -11.721 10.034 6.325 5 HD2 HIS 8 HD2 HIS 8 -10.552 12.547 6.932 6 HE1 HIS 8 HE1 HIS 8 -8.076 12.504 3.500 7 HE2 HIS 8 HE2 HIS 8 -8.866 13.881 5.473 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 9 HA PRO 9 -12.332 6.081 9.214 2 HB2 PRO 9 HB2 PRO 9 -14.840 7.608 9.059 3 HB3 PRO 9 HB3 PRO 9 -14.027 6.920 10.476 4 HG2 PRO 9 HG2 PRO 9 -14.109 9.595 10.028 5 HG3 PRO 9 HG3 PRO 9 -12.697 8.809 10.772 6 HD2 PRO 9 HD2 PRO 9 -13.098 9.712 7.941 7 HD3 PRO 9 HD3 PRO 9 -11.663 9.898 8.979 No H/Q in entry = 7 In of MODEL 8 1 H ALA 10 H ALA 10 -13.359 4.360 8.273 2 HA ALA 10 HA ALA 10 -13.929 4.360 5.522 3 HB1 ALA 10 HB1 ALA 10 -14.707 2.064 5.854 4 HB2 ALA 10 HB2 ALA 10 -13.209 2.357 6.734 5 HB3 ALA 10 HB3 ALA 10 -14.743 2.323 7.597 No H/Q in entry = 5 In of MODEL 8 1 H GLU 11 H GLU 11 -15.596 5.709 4.814 2 HA GLU 11 HA GLU 11 -18.292 5.020 5.789 3 HB2 GLU 11 HB2 GLU 11 -17.298 7.451 6.155 4 HB3 GLU 11 HB3 GLU 11 -17.672 7.648 4.456 5 HG2 GLU 11 HG2 GLU 11 -19.616 7.066 6.673 6 HG3 GLU 11 HG3 GLU 11 -19.418 8.570 5.785 No H/Q in entry = 6 In of MODEL 8 1 H ASN 12 H ASN 12 -18.996 3.585 4.258 2 HA ASN 12 HA ASN 12 -18.230 3.183 1.702 3 HB2 ASN 12 HB2 ASN 12 -19.704 1.624 2.668 4 HB3 ASN 12 HB3 ASN 12 -20.916 2.833 3.061 5 HD21 ASN 12 HD21 ASN 12 -22.415 3.388 1.550 6 HD22 ASN 12 HD22 ASN 12 -22.601 2.557 0.036 No H/Q in entry = 6 In of MODEL 8 1 H GLY 13 H GLY 13 -17.984 4.532 0.070 2 HA2 GLY 13 HA2 GLY 13 -20.109 6.541 -0.467 3 HA3 GLY 13 HA3 GLY 13 -19.186 5.737 -1.720 No H/Q in entry = 3 In of MODEL 8 1 H LYS 14 H LYS 14 -17.215 6.600 0.920 2 HA LYS 14 HA LYS 14 -16.639 9.265 -0.157 3 HB2 LYS 14 HB2 LYS 14 -15.226 7.870 2.116 4 HB3 LYS 14 HB3 LYS 14 -15.153 9.570 1.710 5 HG2 LYS 14 HG2 LYS 14 -17.640 8.175 2.692 6 HG3 LYS 14 HG3 LYS 14 -16.475 8.984 3.724 7 HD2 LYS 14 HD2 LYS 14 -18.255 10.482 3.412 8 HD3 LYS 14 HD3 LYS 14 -16.906 11.099 2.462 9 HE2 LYS 14 HE2 LYS 14 -18.886 11.334 1.164 10 HE3 LYS 14 HE3 LYS 14 -17.941 10.028 0.455 11 HZ1 LYS 14 HZ1 LYS 14 -19.383 8.442 1.628 12 HZ2 LYS 14 HZ2 LYS 14 -20.297 9.721 2.246 13 HZ3 LYS 14 HZ3 LYS 14 -20.271 9.430 0.578 No H/Q in entry = 13 In of MODEL 8 1 H SER 15 H SER 15 -14.878 9.777 -1.336 2 HA SER 15 HA SER 15 -12.866 7.694 -1.722 3 HB2 SER 15 HB2 SER 15 -12.047 9.477 -3.488 4 HB3 SER 15 HB3 SER 15 -13.364 8.362 -3.857 5 HG SER 15 HG SER 15 -14.036 10.791 -2.638 No H/Q in entry = 5 In of MODEL 8 1 H ASN 16 H ASN 16 -10.722 8.049 -1.329 2 HA ASN 16 HA ASN 16 -9.762 10.371 0.049 3 HB2 ASN 16 HB2 ASN 16 -10.173 7.813 1.628 4 HB3 ASN 16 HB3 ASN 16 -9.174 9.153 2.153 5 HD21 ASN 16 HD21 ASN 16 -11.432 7.910 3.403 6 HD22 ASN 16 HD22 ASN 16 -12.626 9.130 3.657 No H/Q in entry = 6 In of MODEL 8 1 H PHE 17 H PHE 17 -7.761 8.603 1.490 2 HA PHE 17 HA PHE 17 -6.303 7.687 -0.895 3 HB2 PHE 17 HB2 PHE 17 -5.317 9.355 1.422 4 HB3 PHE 17 HB3 PHE 17 -4.226 8.526 0.321 5 HD1 PHE 17 HD1 PHE 17 -4.729 11.597 0.961 6 HD2 PHE 17 HD2 PHE 17 -5.819 8.983 -2.226 7 HE1 PHE 17 HE1 PHE 17 -4.837 13.512 -0.574 8 HE2 PHE 17 HE2 PHE 17 -5.915 10.900 -3.763 9 HZ PHE 17 HZ PHE 17 -5.425 13.166 -2.939 No H/Q in entry = 9 In of MODEL 8 1 H LEU 18 H LEU 18 -5.496 5.641 -0.734 2 HA LEU 18 HA LEU 18 -5.747 4.296 1.844 3 HB2 LEU 18 HB2 LEU 18 -6.566 3.004 -0.006 4 HB3 LEU 18 HB3 LEU 18 -5.091 3.251 -0.916 5 HG LEU 18 HG LEU 18 -3.857 1.771 0.611 6 HD11 LEU 18 HD11 LEU 18 -6.490 1.600 2.078 7 HD12 LEU 18 HD12 LEU 18 -5.166 0.459 2.300 8 HD13 LEU 18 HD13 LEU 18 -4.937 2.156 2.709 9 HD21 LEU 18 HD21 LEU 18 -6.444 0.599 -0.406 10 HD22 LEU 18 HD22 LEU 18 -4.919 0.720 -1.281 11 HD23 LEU 18 HD23 LEU 18 -5.048 -0.339 0.121 No H/Q in entry = 11 In of MODEL 8 1 H ASN 19 H ASN 19 -4.120 3.990 3.179 2 HA ASN 19 HA ASN 19 -1.455 4.850 2.283 3 HB2 ASN 19 HB2 ASN 19 -2.860 5.105 4.941 4 HB3 ASN 19 HB3 ASN 19 -1.113 5.300 4.796 5 HD21 ASN 19 HD21 ASN 19 -1.407 6.514 2.104 6 HD22 ASN 19 HD22 ASN 19 -1.959 8.124 2.399 No H/Q in entry = 6 In of MODEL 8 1 H CYS 20 H CYS 20 0.003 3.310 2.057 2 HA CYS 20 HA CYS 20 -0.181 0.818 3.642 3 HB2 CYS 20 HB2 CYS 20 1.223 1.266 0.981 4 HB3 CYS 20 HB3 CYS 20 0.711 -0.265 1.679 No H/Q in entry = 4 In of MODEL 8 1 H TYR 21 H TYR 21 1.412 0.897 5.255 2 HA TYR 21 HA TYR 21 3.845 2.425 4.762 3 HB2 TYR 21 HB2 TYR 21 2.986 0.944 7.262 4 HB3 TYR 21 HB3 TYR 21 4.387 1.992 7.118 5 HD1 TYR 21 HD1 TYR 21 0.796 1.824 7.543 6 HD2 TYR 21 HD2 TYR 21 4.104 4.423 6.958 7 HE1 TYR 21 HE1 TYR 21 -0.603 3.746 8.202 8 HE2 TYR 21 HE2 TYR 21 2.723 6.355 7.613 9 HH TYR 21 HH TYR 21 0.352 6.972 7.700 No H/Q in entry = 9 In of MODEL 8 1 H VAL 22 H VAL 22 5.600 1.514 4.035 2 HA VAL 22 HA VAL 22 5.977 -1.372 4.410 3 HB VAL 22 HB VAL 22 7.069 0.453 2.230 4 HG11 VAL 22 HG11 VAL 22 8.668 -1.324 2.739 5 HG12 VAL 22 HG12 VAL 22 7.396 -2.533 2.541 6 HG13 VAL 22 HG13 VAL 22 7.920 -1.566 1.164 7 HG21 VAL 22 HG21 VAL 22 4.927 -1.674 2.207 8 HG22 VAL 22 HG22 VAL 22 4.748 0.043 1.844 9 HG23 VAL 22 HG23 VAL 22 5.654 -1.001 0.744 No H/Q in entry = 9 In of MODEL 8 1 H SER 23 H SER 23 7.874 -2.031 5.320 2 HA SER 23 HA SER 23 9.019 -0.204 7.187 3 HB2 SER 23 HB2 SER 23 8.410 -2.537 7.708 4 HB3 SER 23 HB3 SER 23 9.728 -3.097 6.674 5 HG SER 23 HG SER 23 9.791 -2.109 9.231 No H/Q in entry = 5 In of MODEL 8 1 H GLY 24 H GLY 24 11.767 -1.474 7.289 2 HA2 GLY 24 HA2 GLY 24 13.669 -0.232 7.105 3 HA3 GLY 24 HA3 GLY 24 12.754 1.012 6.277 No H/Q in entry = 3 In of MODEL 8 1 H PHE 25 H PHE 25 12.658 -2.176 4.897 2 HA PHE 25 HA PHE 25 14.249 -2.660 3.011 3 HB2 PHE 25 HB2 PHE 25 11.502 -1.670 2.254 4 HB3 PHE 25 HB3 PHE 25 12.521 -2.708 1.272 5 HD1 PHE 25 HD1 PHE 25 12.772 -5.065 1.768 6 HD2 PHE 25 HD2 PHE 25 10.392 -2.562 4.266 7 HE1 PHE 25 HE1 PHE 25 11.769 -7.067 2.817 8 HE2 PHE 25 HE2 PHE 25 9.394 -4.560 5.324 9 HZ PHE 25 HZ PHE 25 10.066 -6.799 4.569 No H/Q in entry = 9 In of MODEL 8 1 H HIS 26 H HIS 26 15.371 -1.906 1.299 2 HA HIS 26 HA HIS 26 15.873 0.915 1.200 3 HB2 HIS 26 HB2 HIS 26 16.935 -0.823 -0.966 4 HB3 HIS 26 HB3 HIS 26 17.774 0.381 0.020 5 HD2 HIS 26 HD2 HIS 26 18.543 -0.627 2.629 6 HE1 HIS 26 HE1 HIS 26 18.384 -4.644 1.318 7 HE2 HIS 26 HE2 HIS 26 19.385 -3.050 3.012 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 27 HA PRO 27 12.192 1.833 -1.100 2 HB2 PRO 27 HB2 PRO 27 14.078 3.976 -2.023 3 HB3 PRO 27 HB3 PRO 27 12.359 4.108 -1.612 4 HG2 PRO 27 HG2 PRO 27 14.188 4.783 0.178 5 HG3 PRO 27 HG3 PRO 27 12.737 3.871 0.675 6 HD2 PRO 27 HD2 PRO 27 15.570 2.963 0.422 7 HD3 PRO 27 HD3 PRO 27 14.268 2.344 1.463 No H/Q in entry = 7 In of MODEL 8 1 H SER 28 H SER 28 15.188 2.195 -3.043 2 HA SER 28 HA SER 28 13.613 1.974 -5.437 3 HB2 SER 28 HB2 SER 28 15.781 3.364 -5.044 4 HB3 SER 28 HB3 SER 28 16.615 1.850 -5.411 5 HG SER 28 HG SER 28 14.821 3.321 -7.041 No H/Q in entry = 5 In of MODEL 8 1 H ASP 29 H ASP 29 15.295 -0.236 -3.399 2 HA ASP 29 HA ASP 29 15.537 -2.233 -5.506 3 HB2 ASP 29 HB2 ASP 29 16.357 -2.383 -2.594 4 HB3 ASP 29 HB3 ASP 29 16.702 -3.594 -3.821 No H/Q in entry = 4 In of MODEL 8 1 H ILE 30 H ILE 30 12.939 -1.268 -4.017 2 HA ILE 30 HA ILE 30 11.985 -4.010 -3.523 3 HB ILE 30 HB ILE 30 10.836 -3.467 -1.623 4 HG12 ILE 30 HG12 ILE 30 10.736 -0.544 -2.440 5 HG13 ILE 30 HG13 ILE 30 9.448 -1.719 -2.663 6 HG21 ILE 30 HG21 ILE 30 13.106 -1.508 -1.608 7 HG22 ILE 30 HG22 ILE 30 12.132 -1.892 -0.187 8 HG23 ILE 30 HG23 ILE 30 13.080 -3.153 -0.971 9 HD11 ILE 30 HD11 ILE 30 9.324 -2.004 -0.221 10 HD12 ILE 30 HD12 ILE 30 10.534 -0.734 -0.041 11 HD13 ILE 30 HD13 ILE 30 8.964 -0.363 -0.754 No H/Q in entry = 11 In of MODEL 8 1 H GLU 31 H GLU 31 9.550 -4.160 -3.719 2 HA GLU 31 HA GLU 31 8.531 -2.267 -5.694 3 HB2 GLU 31 HB2 GLU 31 9.469 -4.830 -6.083 4 HB3 GLU 31 HB3 GLU 31 7.735 -4.985 -6.126 5 HG2 GLU 31 HG2 GLU 31 9.487 -3.207 -7.834 6 HG3 GLU 31 HG3 GLU 31 8.540 -4.594 -8.383 No H/Q in entry = 6 In of MODEL 8 1 H VAL 32 H VAL 32 6.599 -1.594 -5.122 2 HA VAL 32 HA VAL 32 4.838 -3.214 -3.427 3 HB VAL 32 HB VAL 32 5.371 -1.992 -1.586 4 HG11 VAL 32 HG11 VAL 32 7.385 -1.136 -2.725 5 HG12 VAL 32 HG12 VAL 32 6.441 0.231 -3.316 6 HG13 VAL 32 HG13 VAL 32 6.694 0.013 -1.582 7 HG21 VAL 32 HG21 VAL 32 3.931 0.218 -3.042 8 HG22 VAL 32 HG22 VAL 32 3.186 -1.053 -2.073 9 HG23 VAL 32 HG23 VAL 32 4.230 0.145 -1.306 No H/Q in entry = 9 In of MODEL 8 1 H ASP 33 H ASP 33 2.680 -3.003 -3.859 2 HA ASP 33 HA ASP 33 1.807 -0.793 -5.611 3 HB2 ASP 33 HB2 ASP 33 1.067 -3.739 -5.981 4 HB3 ASP 33 HB3 ASP 33 0.272 -2.399 -6.806 No H/Q in entry = 4 In of MODEL 8 1 H LEU 34 H LEU 34 -0.608 -0.599 -5.579 2 HA LEU 34 HA LEU 34 -1.746 -1.491 -3.005 3 HB2 LEU 34 HB2 LEU 34 -2.094 1.039 -4.548 4 HB3 LEU 34 HB3 LEU 34 -3.482 0.442 -3.657 5 HG LEU 34 HG LEU 34 -2.031 0.415 -1.587 6 HD11 LEU 34 HD11 LEU 34 0.147 0.458 -2.852 7 HD12 LEU 34 HD12 LEU 34 -0.155 2.173 -3.148 8 HD13 LEU 34 HD13 LEU 34 0.016 1.573 -1.489 9 HD21 LEU 34 HD21 LEU 34 -3.643 2.194 -2.063 10 HD22 LEU 34 HD22 LEU 34 -2.244 2.760 -1.151 11 HD23 LEU 34 HD23 LEU 34 -2.370 3.103 -2.877 No H/Q in entry = 11 In of MODEL 8 1 H LEU 35 H LEU 35 -3.517 -2.788 -3.028 2 HA LEU 35 HA LEU 35 -4.487 -3.605 -5.696 3 HB2 LEU 35 HB2 LEU 35 -4.001 -5.394 -3.317 4 HB3 LEU 35 HB3 LEU 35 -4.576 -5.888 -4.888 5 HG LEU 35 HG LEU 35 -1.825 -5.092 -4.048 6 HD11 LEU 35 HD11 LEU 35 -3.102 -7.407 -5.490 7 HD12 LEU 35 HD12 LEU 35 -1.365 -7.193 -5.363 8 HD13 LEU 35 HD13 LEU 35 -2.335 -7.417 -3.902 9 HD21 LEU 35 HD21 LEU 35 -2.330 -3.766 -6.082 10 HD22 LEU 35 HD22 LEU 35 -1.100 -5.001 -6.347 11 HD23 LEU 35 HD23 LEU 35 -2.744 -5.260 -6.918 No H/Q in entry = 11 In of MODEL 8 1 H LYS 36 H LYS 36 -6.434 -4.907 -5.681 2 HA LYS 36 HA LYS 36 -8.221 -4.612 -3.363 3 HB2 LYS 36 HB2 LYS 36 -9.367 -5.155 -6.064 4 HB3 LYS 36 HB3 LYS 36 -10.057 -4.229 -4.716 5 HG2 LYS 36 HG2 LYS 36 -8.591 -2.360 -5.280 6 HG3 LYS 36 HG3 LYS 36 -7.837 -3.290 -6.569 7 HD2 LYS 36 HD2 LYS 36 -9.456 -1.708 -7.496 8 HD3 LYS 36 HD3 LYS 36 -9.982 -3.371 -7.805 9 HE2 LYS 36 HE2 LYS 36 -11.850 -1.859 -7.082 10 HE3 LYS 36 HE3 LYS 36 -11.610 -3.191 -5.960 11 HZ1 LYS 36 HZ1 LYS 36 -10.080 -1.456 -4.787 12 HZ2 LYS 36 HZ2 LYS 36 -11.032 -0.333 -5.625 13 HZ3 LYS 36 HZ3 LYS 36 -11.753 -1.427 -4.545 No H/Q in entry = 13 In of MODEL 8 1 H ASN 37 H ASN 37 -8.269 -6.617 -2.439 2 HA ASN 37 HA ASN 37 -7.835 -8.870 -2.263 3 HB2 ASN 37 HB2 ASN 37 -9.696 -10.146 -3.568 4 HB3 ASN 37 HB3 ASN 37 -10.169 -8.993 -2.325 5 HD21 ASN 37 HD21 ASN 37 -10.794 -6.850 -3.045 6 HD22 ASN 37 HD22 ASN 37 -11.551 -6.639 -4.584 No H/Q in entry = 6 In of MODEL 8 1 H GLY 38 H GLY 38 -5.836 -8.085 -3.672 2 HA2 GLY 38 HA2 GLY 38 -5.246 -10.303 -5.365 3 HA3 GLY 38 HA3 GLY 38 -4.154 -8.998 -4.966 No H/Q in entry = 3 In of MODEL 8 1 H GLU 39 H GLU 39 -6.139 -6.973 -6.069 2 HA GLU 39 HA GLU 39 -5.538 -7.502 -8.892 3 HB2 GLU 39 HB2 GLU 39 -7.970 -7.924 -8.318 4 HB3 GLU 39 HB3 GLU 39 -8.098 -6.233 -7.911 5 HG2 GLU 39 HG2 GLU 39 -7.040 -6.626 -10.568 6 HG3 GLU 39 HG3 GLU 39 -8.659 -7.291 -10.371 No H/Q in entry = 6 In of MODEL 8 1 H ARG 40 H ARG 40 -4.220 -5.988 -9.603 2 HA ARG 40 HA ARG 40 -3.373 -3.781 -8.137 3 HB2 ARG 40 HB2 ARG 40 -2.529 -5.022 -10.451 4 HB3 ARG 40 HB3 ARG 40 -3.085 -3.473 -11.067 5 HG2 ARG 40 HG2 ARG 40 -1.590 -2.338 -9.451 6 HG3 ARG 40 HG3 ARG 40 -0.994 -3.912 -8.948 7 HD2 ARG 40 HD2 ARG 40 0.626 -3.239 -10.449 8 HD3 ARG 40 HD3 ARG 40 -0.409 -4.222 -11.483 9 HE ARG 40 HE ARG 40 -1.307 -2.194 -12.410 10 HH11 ARG 40 HH11 ARG 40 1.459 -1.754 -10.275 11 HH12 ARG 40 HH12 ARG 40 1.991 -0.295 -11.057 12 HH21 ARG 40 HH21 ARG 40 -0.605 -0.237 -13.424 13 HH22 ARG 40 HH22 ARG 40 0.803 0.586 -12.810 No H/Q in entry = 13 In of MODEL 8 1 H ILE 41 H ILE 41 -4.336 -1.952 -7.635 2 HA ILE 41 HA ILE 41 -6.775 -1.087 -8.714 3 HB ILE 41 HB ILE 41 -4.743 0.450 -7.089 4 HG12 ILE 41 HG12 ILE 41 -7.195 -1.089 -6.214 5 HG13 ILE 41 HG13 ILE 41 -5.539 -1.666 -6.063 6 HG21 ILE 41 HG21 ILE 41 -7.670 1.017 -7.572 7 HG22 ILE 41 HG22 ILE 41 -6.642 1.875 -6.425 8 HG23 ILE 41 HG23 ILE 41 -6.311 1.974 -8.152 9 HD11 ILE 41 HD11 ILE 41 -6.454 0.871 -4.766 10 HD12 ILE 41 HD12 ILE 41 -6.628 -0.719 -4.007 11 HD13 ILE 41 HD13 ILE 41 -5.021 -0.110 -4.422 No H/Q in entry = 11 In of MODEL 8 1 H GLU 42 H GLU 42 -3.919 0.990 -8.690 2 HA GLU 42 HA GLU 42 -2.490 0.958 -10.746 3 HB2 GLU 42 HB2 GLU 42 -5.100 1.743 -12.071 4 HB3 GLU 42 HB3 GLU 42 -3.516 1.940 -12.793 5 HG2 GLU 42 HG2 GLU 42 -3.200 -0.527 -12.646 6 HG3 GLU 42 HG3 GLU 42 -4.879 -0.648 -12.112 No H/Q in entry = 6 In of MODEL 8 1 H LYS 43 H LYS 43 -4.912 3.121 -9.333 2 HA LYS 43 HA LYS 43 -3.661 5.474 -10.457 3 HB2 LYS 43 HB2 LYS 43 -5.784 5.393 -8.313 4 HB3 LYS 43 HB3 LYS 43 -5.431 6.693 -9.438 5 HG2 LYS 43 HG2 LYS 43 -6.811 4.072 -10.041 6 HG3 LYS 43 HG3 LYS 43 -7.485 5.697 -10.114 7 HD2 LYS 43 HD2 LYS 43 -5.285 4.648 -11.894 8 HD3 LYS 43 HD3 LYS 43 -6.985 4.791 -12.342 9 HE2 LYS 43 HE2 LYS 43 -6.840 7.231 -11.888 10 HE3 LYS 43 HE3 LYS 43 -5.111 7.033 -11.607 11 HZ1 LYS 43 HZ1 LYS 43 -6.480 6.326 -14.147 12 HZ2 LYS 43 HZ2 LYS 43 -5.676 7.794 -13.873 13 HZ3 LYS 43 HZ3 LYS 43 -4.808 6.335 -13.859 No H/Q in entry = 13 In of MODEL 8 1 H VAL 44 H VAL 44 -1.667 4.371 -9.195 2 HA VAL 44 HA VAL 44 -1.568 5.646 -6.551 3 HB VAL 44 HB VAL 44 -1.396 2.898 -6.961 4 HG11 VAL 44 HG11 VAL 44 0.858 3.139 -7.912 5 HG12 VAL 44 HG12 VAL 44 1.375 3.902 -6.406 6 HG13 VAL 44 HG13 VAL 44 0.840 2.217 -6.406 7 HG21 VAL 44 HG21 VAL 44 -1.982 4.010 -4.888 8 HG22 VAL 44 HG22 VAL 44 -0.743 2.779 -4.635 9 HG23 VAL 44 HG23 VAL 44 -0.298 4.488 -4.664 No H/Q in entry = 9 In of MODEL 8 1 H GLU 45 H GLU 45 -0.003 7.104 -6.370 2 HA GLU 45 HA GLU 45 2.263 6.934 -8.239 3 HB2 GLU 45 HB2 GLU 45 0.452 9.320 -7.895 4 HB3 GLU 45 HB3 GLU 45 2.081 9.467 -8.532 5 HG2 GLU 45 HG2 GLU 45 -0.112 7.800 -9.753 6 HG3 GLU 45 HG3 GLU 45 0.368 9.410 -10.286 No H/Q in entry = 6 In of MODEL 8 1 H HIS 46 H HIS 46 3.858 6.605 -6.771 2 HA HIS 46 HA HIS 46 4.705 9.086 -5.565 3 HB2 HIS 46 HB2 HIS 46 3.518 7.750 -3.750 4 HB3 HIS 46 HB3 HIS 46 4.782 6.541 -3.922 5 HD2 HIS 46 HD2 HIS 46 7.438 7.559 -3.210 6 HE1 HIS 46 HE1 HIS 46 5.782 10.656 -0.860 7 HE2 HIS 46 HE2 HIS 46 7.828 9.215 -1.257 No H/Q in entry = 7 In of MODEL 8 1 H SER 47 H SER 47 6.752 9.369 -6.091 2 HA SER 47 HA SER 47 7.981 7.189 -7.592 3 HB2 SER 47 HB2 SER 47 7.630 9.466 -8.602 4 HB3 SER 47 HB3 SER 47 8.826 10.091 -7.470 5 HG SER 47 HG SER 47 9.735 7.889 -8.803 No H/Q in entry = 5 In of MODEL 8 1 H ASP 48 H ASP 48 9.486 6.001 -6.745 2 HA ASP 48 HA ASP 48 10.855 6.449 -4.355 3 HB2 ASP 48 HB2 ASP 48 11.022 4.251 -4.903 4 HB3 ASP 48 HB3 ASP 48 11.037 4.570 -6.625 No H/Q in entry = 4 In of MODEL 8 1 H LEU 49 H LEU 49 13.143 6.861 -4.060 2 HA LEU 49 HA LEU 49 13.737 9.340 -5.441 3 HB2 LEU 49 HB2 LEU 49 15.881 8.703 -3.680 4 HB3 LEU 49 HB3 LEU 49 14.682 9.978 -3.514 5 HG LEU 49 HG LEU 49 14.784 8.708 -1.480 6 HD11 LEU 49 HD11 LEU 49 12.278 8.018 -2.992 7 HD12 LEU 49 HD12 LEU 49 12.488 7.816 -1.252 8 HD13 LEU 49 HD13 LEU 49 12.564 9.427 -1.970 9 HD21 LEU 49 HD21 LEU 49 15.776 6.659 -2.305 10 HD22 LEU 49 HD22 LEU 49 14.343 6.314 -1.335 11 HD23 LEU 49 HD23 LEU 49 14.260 6.217 -3.093 No H/Q in entry = 11 In of MODEL 8 1 H SER 50 H SER 50 16.470 9.504 -5.366 2 HA SER 50 HA SER 50 17.111 7.964 -7.739 3 HB2 SER 50 HB2 SER 50 19.279 9.404 -7.502 4 HB3 SER 50 HB3 SER 50 17.772 10.187 -7.979 5 HG SER 50 HG SER 50 18.235 11.444 -6.345 No H/Q in entry = 5 In of MODEL 8 1 H PHE 51 H PHE 51 18.594 8.578 -4.583 2 HA PHE 51 HA PHE 51 20.141 6.113 -4.805 3 HB2 PHE 51 HB2 PHE 51 20.187 8.348 -2.763 4 HB3 PHE 51 HB3 PHE 51 21.215 6.920 -2.692 5 HD1 PHE 51 HD1 PHE 51 23.095 6.669 -4.166 6 HD2 PHE 51 HD2 PHE 51 20.527 10.049 -4.479 7 HE1 PHE 51 HE1 PHE 51 24.749 7.791 -5.599 8 HE2 PHE 51 HE2 PHE 51 22.181 11.175 -5.911 9 HZ PHE 51 HZ PHE 51 24.294 10.045 -6.474 No H/Q in entry = 9 In of MODEL 8 1 H SER 52 H SER 52 19.321 4.337 -4.086 2 HA SER 52 HA SER 52 16.828 4.070 -2.886 3 HB2 SER 52 HB2 SER 52 18.053 2.351 -4.234 4 HB3 SER 52 HB3 SER 52 19.083 2.055 -2.836 5 HG SER 52 HG SER 52 17.489 0.564 -2.709 No H/Q in entry = 5 In of MODEL 8 1 H LYS 53 H LYS 53 20.063 3.728 -1.424 2 HA LYS 53 HA LYS 53 20.812 4.044 0.705 3 HB2 LYS 53 HB2 LYS 53 18.035 5.034 1.377 4 HB3 LYS 53 HB3 LYS 53 19.494 5.278 2.325 5 HG2 LYS 53 HG2 LYS 53 20.433 6.633 0.510 6 HG3 LYS 53 HG3 LYS 53 18.945 6.408 -0.412 7 HD2 LYS 53 HD2 LYS 53 17.719 7.441 1.531 8 HD3 LYS 53 HD3 LYS 53 19.295 7.856 2.207 9 HE2 LYS 53 HE2 LYS 53 18.421 9.754 1.012 10 HE3 LYS 53 HE3 LYS 53 19.809 9.107 0.137 11 HZ1 LYS 53 HZ1 LYS 53 18.233 7.930 -1.330 12 HZ2 LYS 53 HZ2 LYS 53 16.949 8.683 -0.527 13 HZ3 LYS 53 HZ3 LYS 53 18.051 9.616 -1.400 No H/Q in entry = 13 In of MODEL 8 1 H ASP 54 H ASP 54 20.735 3.007 2.818 2 HA ASP 54 HA ASP 54 19.506 0.389 2.545 3 HB2 ASP 54 HB2 ASP 54 20.908 -0.314 4.382 4 HB3 ASP 54 HB3 ASP 54 21.882 0.601 3.238 No H/Q in entry = 4 In of MODEL 8 1 H TRP 55 H TRP 55 18.242 3.088 3.500 2 HA TRP 55 HA TRP 55 16.352 1.753 5.214 3 HB2 TRP 55 HB2 TRP 55 16.454 3.183 7.100 4 HB3 TRP 55 HB3 TRP 55 18.097 2.654 6.789 5 HD1 TRP 55 HD1 TRP 55 16.365 5.583 7.877 6 HE1 TRP 55 HE1 TRP 55 17.697 7.728 7.430 7 HE3 TRP 55 HE3 TRP 55 19.748 3.765 4.419 8 HZ2 TRP 55 HZ2 TRP 55 19.860 8.566 5.802 9 HZ3 TRP 55 HZ3 TRP 55 21.382 5.315 3.477 10 HH2 TRP 55 HH2 TRP 55 21.453 7.666 4.148 No H/Q in entry = 10 In of MODEL 8 1 H SER 56 H SER 56 14.363 2.422 4.894 2 HA SER 56 HA SER 56 13.955 4.336 2.773 3 HB2 SER 56 HB2 SER 56 11.614 3.519 2.875 4 HB3 SER 56 HB3 SER 56 12.786 2.215 2.687 5 HG SER 56 HG SER 56 11.503 1.515 4.292 No H/Q in entry = 5 In of MODEL 8 1 H PHE 57 H PHE 57 14.160 4.541 6.026 2 HA PHE 57 HA PHE 57 13.119 5.608 7.753 3 HB2 PHE 57 HB2 PHE 57 13.109 8.118 7.383 4 HB3 PHE 57 HB3 PHE 57 14.636 7.291 7.114 5 HD1 PHE 57 HD1 PHE 57 11.844 9.053 5.512 6 HD2 PHE 57 HD2 PHE 57 15.633 7.200 4.936 7 HE1 PHE 57 HE1 PHE 57 12.008 10.088 3.286 8 HE2 PHE 57 HE2 PHE 57 15.803 8.231 2.709 9 HZ PHE 57 HZ PHE 57 13.990 9.680 1.883 No H/Q in entry = 9 In of MODEL 8 1 H TYR 58 H TYR 58 11.248 4.354 6.020 2 HA TYR 58 HA TYR 58 9.000 3.984 6.400 3 HB2 TYR 58 HB2 TYR 58 9.216 6.648 7.625 4 HB3 TYR 58 HB3 TYR 58 7.681 6.384 6.806 5 HD1 TYR 58 HD1 TYR 58 6.030 5.853 8.374 6 HD2 TYR 58 HD2 TYR 58 9.909 4.149 8.840 7 HE1 TYR 58 HE1 TYR 58 5.217 4.542 10.311 8 HE2 TYR 58 HE2 TYR 58 9.107 2.839 10.773 9 HH TYR 58 HH TYR 58 7.404 2.728 12.334 No H/Q in entry = 9 In of MODEL 8 1 H LEU 59 H LEU 59 8.231 3.440 4.620 2 HA LEU 59 HA LEU 59 8.255 5.191 2.232 3 HB2 LEU 59 HB2 LEU 59 8.504 2.276 2.755 4 HB3 LEU 59 HB3 LEU 59 7.660 2.741 1.294 5 HG LEU 59 HG LEU 59 10.414 3.829 1.848 6 HD11 LEU 59 HD11 LEU 59 10.197 1.240 2.045 7 HD12 LEU 59 HD12 LEU 59 9.969 1.302 0.298 8 HD13 LEU 59 HD13 LEU 59 11.448 1.930 1.025 9 HD21 LEU 59 HD21 LEU 59 8.820 3.193 -0.640 10 HD22 LEU 59 HD22 LEU 59 9.142 4.796 0.017 11 HD23 LEU 59 HD23 LEU 59 10.467 3.826 -0.622 No H/Q in entry = 11 In of MODEL 8 1 H LEU 60 H LEU 60 6.319 5.964 1.552 2 HA LEU 60 HA LEU 60 3.921 4.345 1.990 3 HB2 LEU 60 HB2 LEU 60 3.936 5.931 3.785 4 HB3 LEU 60 HB3 LEU 60 4.305 7.248 2.689 5 HG LEU 60 HG LEU 60 2.056 6.980 1.677 6 HD11 LEU 60 HD11 LEU 60 1.711 4.623 2.245 7 HD12 LEU 60 HD12 LEU 60 1.583 5.066 3.945 8 HD13 LEU 60 HD13 LEU 60 0.380 5.640 2.796 9 HD21 LEU 60 HD21 LEU 60 2.117 7.451 4.650 10 HD22 LEU 60 HD22 LEU 60 2.426 8.650 3.394 11 HD23 LEU 60 HD23 LEU 60 0.819 7.944 3.563 No H/Q in entry = 11 In of MODEL 8 1 H TYR 61 H TYR 61 2.342 4.542 0.439 2 HA TYR 61 HA TYR 61 2.804 6.325 -1.882 3 HB2 TYR 61 HB2 TYR 61 1.998 3.374 -1.848 4 HB3 TYR 61 HB3 TYR 61 1.797 4.406 -3.274 5 HD1 TYR 61 HD1 TYR 61 3.553 4.641 -4.791 6 HD2 TYR 61 HD2 TYR 61 4.428 3.189 -0.890 7 HE1 TYR 61 HE1 TYR 61 5.862 4.179 -5.493 8 HE2 TYR 61 HE2 TYR 61 6.749 2.735 -1.586 9 HH TYR 61 HH TYR 61 8.076 3.925 -4.457 No H/Q in entry = 9 In of MODEL 8 1 H TYR 62 H TYR 62 0.631 6.682 -3.099 2 HA TYR 62 HA TYR 62 -1.638 6.244 -1.322 3 HB2 TYR 62 HB2 TYR 62 -2.395 8.671 -1.925 4 HB3 TYR 62 HB3 TYR 62 -1.312 8.370 -0.578 5 HD1 TYR 62 HD1 TYR 62 0.824 9.376 -0.504 6 HD2 TYR 62 HD2 TYR 62 -1.413 9.534 -4.111 7 HE1 TYR 62 HE1 TYR 62 2.427 10.997 -1.410 8 HE2 TYR 62 HE2 TYR 62 0.188 11.160 -5.035 9 HH TYR 62 HH TYR 62 3.198 11.779 -3.617 No H/Q in entry = 9 In of MODEL 8 1 H THR 63 H THR 63 -3.601 5.918 -2.264 2 HA THR 63 HA THR 63 -3.947 6.391 -5.134 3 HB THR 63 HB THR 63 -3.207 3.931 -4.575 4 HG1 THR 63 HG1 THR 63 -4.345 4.927 -6.542 5 HG21 THR 63 HG21 THR 63 -4.852 3.560 -2.774 6 HG22 THR 63 HG22 THR 63 -6.151 3.787 -3.942 7 HG23 THR 63 HG23 THR 63 -5.053 2.418 -4.103 No H/Q in entry = 7 In of MODEL 8 1 H GLU 64 H GLU 64 -6.003 6.930 -5.671 2 HA GLU 64 HA GLU 64 -7.973 7.749 -3.903 3 HB2 GLU 64 HB2 GLU 64 -7.795 8.247 -6.384 4 HB3 GLU 64 HB3 GLU 64 -8.441 6.638 -6.682 5 HG2 GLU 64 HG2 GLU 64 -10.278 8.067 -6.886 6 HG3 GLU 64 HG3 GLU 64 -10.446 7.305 -5.305 No H/Q in entry = 6 In of MODEL 8 1 H PHE 65 H PHE 65 -9.471 6.614 -2.627 2 HA PHE 65 HA PHE 65 -10.264 3.970 -3.629 3 HB2 PHE 65 HB2 PHE 65 -10.147 2.976 -1.499 4 HB3 PHE 65 HB3 PHE 65 -8.672 3.896 -1.674 5 HD1 PHE 65 HD1 PHE 65 -12.111 4.582 -0.360 6 HD2 PHE 65 HD2 PHE 65 -7.909 4.855 0.235 7 HE1 PHE 65 HE1 PHE 65 -12.495 5.608 1.843 8 HE2 PHE 65 HE2 PHE 65 -8.294 5.892 2.441 9 HZ PHE 65 HZ PHE 65 -10.600 6.274 3.247 No H/Q in entry = 9 In of MODEL 8 1 H THR 66 H THR 66 -12.398 3.335 -3.250 2 HA THR 66 HA THR 66 -14.018 5.002 -1.451 3 HB THR 66 HB THR 66 -14.967 4.039 -4.174 4 HG1 THR 66 HG1 THR 66 -13.604 6.268 -3.410 5 HG21 THR 66 HG21 THR 66 -16.293 5.734 -2.037 6 HG22 THR 66 HG22 THR 66 -16.904 5.543 -3.684 7 HG23 THR 66 HG23 THR 66 -16.802 4.145 -2.617 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 67 HA PRO 67 -14.567 0.695 -0.177 2 HB2 PRO 67 HB2 PRO 67 -16.064 1.453 2.111 3 HB3 PRO 67 HB3 PRO 67 -14.376 0.944 2.051 4 HG2 PRO 67 HG2 PRO 67 -15.363 3.532 2.615 5 HG3 PRO 67 HG3 PRO 67 -13.674 3.053 2.403 6 HD2 PRO 67 HD2 PRO 67 -15.431 4.530 0.622 7 HD3 PRO 67 HD3 PRO 67 -13.670 4.342 0.550 No H/Q in entry = 7 In of MODEL 8 1 H THR 68 H THR 68 -16.028 -0.676 -0.562 2 HA THR 68 HA THR 68 -18.853 0.094 -0.711 3 HB THR 68 HB THR 68 -19.082 -1.375 -2.698 4 HG1 THR 68 HG1 THR 68 -16.725 -1.616 -3.674 5 HG21 THR 68 HG21 THR 68 -18.770 1.034 -3.013 6 HG22 THR 68 HG22 THR 68 -17.023 0.797 -3.068 7 HG23 THR 68 HG23 THR 68 -18.047 0.108 -4.328 No H/Q in entry = 7 In of MODEL 8 1 H GLU 69 H GLU 69 -20.307 -1.715 -0.379 2 HA GLU 69 HA GLU 69 -19.602 -3.503 1.638 3 HB2 GLU 69 HB2 GLU 69 -21.870 -2.895 1.361 4 HB3 GLU 69 HB3 GLU 69 -21.922 -3.409 -0.313 5 HG2 GLU 69 HG2 GLU 69 -23.100 -5.024 0.891 6 HG3 GLU 69 HG3 GLU 69 -21.519 -5.740 0.541 No H/Q in entry = 6 In of MODEL 8 1 H LYS 70 H LYS 70 -18.598 -3.677 -1.541 2 HA LYS 70 HA LYS 70 -18.393 -6.597 -1.422 3 HB2 LYS 70 HB2 LYS 70 -18.234 -4.816 -3.855 4 HB3 LYS 70 HB3 LYS 70 -18.161 -6.568 -3.863 5 HG2 LYS 70 HG2 LYS 70 -20.576 -5.322 -2.647 6 HG3 LYS 70 HG3 LYS 70 -20.390 -5.218 -4.396 7 HD2 LYS 70 HD2 LYS 70 -21.697 -7.162 -3.840 8 HD3 LYS 70 HD3 LYS 70 -20.141 -7.670 -4.492 9 HE2 LYS 70 HE2 LYS 70 -19.337 -8.231 -2.310 10 HE3 LYS 70 HE3 LYS 70 -20.751 -7.506 -1.543 11 HZ1 LYS 70 HZ1 LYS 70 -20.891 -9.827 -3.394 12 HZ2 LYS 70 HZ2 LYS 70 -20.790 -9.978 -1.707 13 HZ3 LYS 70 HZ3 LYS 70 -22.130 -9.216 -2.409 No H/Q in entry = 13 In of MODEL 8 1 H ASP 71 H ASP 71 -16.273 -3.731 -1.712 2 HA ASP 71 HA ASP 71 -14.209 -5.482 -2.823 3 HB2 ASP 71 HB2 ASP 71 -14.711 -3.478 -4.109 4 HB3 ASP 71 HB3 ASP 71 -14.282 -2.464 -2.723 No H/Q in entry = 4 In of MODEL 8 1 H GLU 72 H GLU 72 -12.305 -5.845 -1.940 2 HA GLU 72 HA GLU 72 -11.644 -4.865 0.770 3 HB2 GLU 72 HB2 GLU 72 -11.807 -7.311 0.395 4 HB3 GLU 72 HB3 GLU 72 -10.590 -7.199 -0.855 5 HG2 GLU 72 HG2 GLU 72 -8.952 -6.469 0.828 6 HG3 GLU 72 HG3 GLU 72 -10.184 -6.638 2.074 No H/Q in entry = 6 In of MODEL 8 1 H TYR 73 H TYR 73 -9.599 -3.921 1.144 2 HA TYR 73 HA TYR 73 -8.035 -3.273 -1.273 3 HB2 TYR 73 HB2 TYR 73 -8.569 -1.566 1.168 4 HB3 TYR 73 HB3 TYR 73 -7.337 -1.183 -0.023 5 HD1 TYR 73 HD1 TYR 73 -7.888 0.021 -1.949 6 HD2 TYR 73 HD2 TYR 73 -11.004 -1.762 0.337 7 HE1 TYR 73 HE1 TYR 73 -9.557 1.198 -3.315 8 HE2 TYR 73 HE2 TYR 73 -12.680 -0.580 -1.026 9 HH TYR 73 HH TYR 73 -12.957 1.172 -2.523 No H/Q in entry = 9 In of MODEL 8 1 H ALA 74 H ALA 74 -5.891 -3.747 -1.289 2 HA ALA 74 HA ALA 74 -4.600 -4.551 1.222 3 HB1 ALA 74 HB1 ALA 74 -5.391 -6.602 0.247 4 HB2 ALA 74 HB2 ALA 74 -4.750 -6.150 -1.334 5 HB3 ALA 74 HB3 ALA 74 -3.652 -6.507 0.005 No H/Q in entry = 5 In of MODEL 8 1 H CYS 75 H CYS 75 -2.241 -4.522 1.094 2 HA CYS 75 HA CYS 75 -1.220 -3.082 -1.271 3 HB2 CYS 75 HB2 CYS 75 -0.502 -2.613 1.615 4 HB3 CYS 75 HB3 CYS 75 0.230 -1.784 0.268 No H/Q in entry = 4 In of MODEL 8 1 H ARG 76 H ARG 76 0.385 -4.115 -2.311 2 HA ARG 76 HA ARG 76 1.462 -6.590 -1.142 3 HB2 ARG 76 HB2 ARG 76 0.191 -6.382 -3.378 4 HB3 ARG 76 HB3 ARG 76 1.672 -5.647 -3.995 5 HG2 ARG 76 HG2 ARG 76 2.860 -7.751 -3.631 6 HG3 ARG 76 HG3 ARG 76 1.444 -8.457 -2.853 7 HD2 ARG 76 HD2 ARG 76 1.623 -9.219 -5.223 8 HD3 ARG 76 HD3 ARG 76 0.176 -8.243 -4.961 9 HE ARG 76 HE ARG 76 2.046 -6.405 -5.715 10 HH11 ARG 76 HH11 ARG 76 0.872 -9.371 -7.178 11 HH12 ARG 76 HH12 ARG 76 1.305 -8.883 -8.793 12 HH21 ARG 76 HH21 ARG 76 2.578 -5.751 -7.817 13 HH22 ARG 76 HH22 ARG 76 2.271 -6.822 -9.153 No H/Q in entry = 13 In of MODEL 8 1 H VAL 77 H VAL 77 3.653 -6.846 -0.745 2 HA VAL 77 HA VAL 77 5.497 -5.014 -2.135 3 HB VAL 77 HB VAL 77 4.988 -4.301 0.315 4 HG11 VAL 77 HG11 VAL 77 6.999 -6.499 0.777 5 HG12 VAL 77 HG12 VAL 77 6.512 -5.284 1.960 6 HG13 VAL 77 HG13 VAL 77 5.337 -6.456 1.369 7 HG21 VAL 77 HG21 VAL 77 6.683 -3.315 -1.167 8 HG22 VAL 77 HG22 VAL 77 7.219 -3.385 0.516 9 HG23 VAL 77 HG23 VAL 77 7.829 -4.557 -0.652 No H/Q in entry = 9 In of MODEL 8 1 H ASN 78 H ASN 78 7.368 -5.745 -2.731 2 HA ASN 78 HA ASN 78 8.246 -8.433 -1.878 3 HB2 ASN 78 HB2 ASN 78 6.989 -8.593 -4.035 4 HB3 ASN 78 HB3 ASN 78 8.180 -7.520 -4.765 5 HD21 ASN 78 HD21 ASN 78 8.806 -9.059 -6.259 6 HD22 ASN 78 HD22 ASN 78 9.748 -10.447 -5.817 No H/Q in entry = 6 In of MODEL 8 1 H HIS 79 H HIS 79 10.358 -8.798 -1.810 2 HA HIS 79 HA HIS 79 12.198 -6.721 -2.739 3 HB2 HIS 79 HB2 HIS 79 11.754 -6.476 -0.247 4 HB3 HIS 79 HB3 HIS 79 12.417 -8.087 -0.034 5 HD2 HIS 79 HD2 HIS 79 13.560 -4.460 -0.330 6 HE1 HIS 79 HE1 HIS 79 17.014 -6.900 -0.349 7 HE2 HIS 79 HE2 HIS 79 16.154 -4.514 -0.364 No H/Q in entry = 7 In of MODEL 8 1 H VAL 80 H VAL 80 14.396 -7.622 -3.031 2 HA VAL 80 HA VAL 80 14.497 -10.045 -4.347 3 HB VAL 80 HB VAL 80 16.830 -8.832 -2.860 4 HG11 VAL 80 HG11 VAL 80 17.255 -11.105 -3.643 5 HG12 VAL 80 HG12 VAL 80 16.741 -10.653 -5.270 6 HG13 VAL 80 HG13 VAL 80 18.195 -9.936 -4.573 7 HG21 VAL 80 HG21 VAL 80 15.785 -8.262 -5.632 8 HG22 VAL 80 HG22 VAL 80 15.823 -7.149 -4.265 9 HG23 VAL 80 HG23 VAL 80 17.331 -7.695 -4.998 No H/Q in entry = 9 In of MODEL 8 1 H THR 81 H THR 81 14.771 -9.479 -0.891 2 HA THR 81 HA THR 81 15.982 -12.000 -0.273 3 HB THR 81 HB THR 81 16.215 -10.327 1.407 4 HG1 THR 81 HG1 THR 81 15.615 -12.624 2.018 5 HG21 THR 81 HG21 THR 81 13.194 -10.208 1.553 6 HG22 THR 81 HG22 THR 81 14.307 -9.360 2.627 7 HG23 THR 81 HG23 THR 81 14.254 -8.953 0.912 No H/Q in entry = 7 In of MODEL 8 1 H LEU 82 H LEU 82 12.571 -10.913 -0.009 2 HA LEU 82 HA LEU 82 11.532 -13.455 0.603 3 HB2 LEU 82 HB2 LEU 82 10.044 -11.410 -1.031 4 HB3 LEU 82 HB3 LEU 82 9.390 -12.613 0.066 5 HG LEU 82 HG LEU 82 11.007 -10.238 0.962 6 HD11 LEU 82 HD11 LEU 82 8.038 -10.670 0.851 7 HD12 LEU 82 HD12 LEU 82 8.838 -9.367 1.734 8 HD13 LEU 82 HD13 LEU 82 8.986 -9.460 -0.019 9 HD21 LEU 82 HD21 LEU 82 9.338 -12.232 2.487 10 HD22 LEU 82 HD22 LEU 82 11.100 -12.139 2.491 11 HD23 LEU 82 HD23 LEU 82 10.146 -10.822 3.174 No H/Q in entry = 11 In of MODEL 8 1 H SER 83 H SER 83 10.483 -14.987 -0.711 2 HA SER 83 HA SER 83 11.198 -14.890 -3.574 3 HB2 SER 83 HB2 SER 83 10.664 -17.408 -3.414 4 HB3 SER 83 HB3 SER 83 12.151 -16.841 -2.654 5 HG SER 83 HG SER 83 9.672 -17.284 -1.315 No H/Q in entry = 5 In of MODEL 8 1 H GLN 84 H GLN 84 8.795 -14.271 -1.488 2 HA GLN 84 HA GLN 84 6.831 -14.235 -3.619 3 HB2 GLN 84 HB2 GLN 84 5.044 -15.235 -2.198 4 HB3 GLN 84 HB3 GLN 84 6.320 -16.373 -2.591 5 HG2 GLN 84 HG2 GLN 84 6.712 -14.944 -0.066 6 HG3 GLN 84 HG3 GLN 84 5.277 -15.965 -0.116 7 HE21 GLN 84 HE21 GLN 84 6.154 -17.373 1.405 8 HE22 GLN 84 HE22 GLN 84 7.430 -18.481 1.005 No H/Q in entry = 8 In of MODEL 8 1 HA PRO 85 HA PRO 85 6.253 -10.303 -1.419 2 HB2 PRO 85 HB2 PRO 85 4.140 -9.421 -2.912 3 HB3 PRO 85 HB3 PRO 85 5.851 -9.170 -3.326 4 HG2 PRO 85 HG2 PRO 85 3.894 -11.150 -4.411 5 HG3 PRO 85 HG3 PRO 85 5.219 -10.302 -5.241 6 HD2 PRO 85 HD2 PRO 85 5.390 -12.945 -4.445 7 HD3 PRO 85 HD3 PRO 85 6.816 -11.865 -4.574 No H/Q in entry = 7 In of MODEL 8 1 H LYS 86 H LYS 86 4.616 -9.369 -0.138 2 HA LYS 86 HA LYS 86 2.613 -11.374 0.652 3 HB2 LYS 86 HB2 LYS 86 3.799 -9.202 2.391 4 HB3 LYS 86 HB3 LYS 86 2.703 -10.475 2.905 5 HG2 LYS 86 HG2 LYS 86 5.594 -10.697 2.118 6 HG3 LYS 86 HG3 LYS 86 4.844 -11.116 3.659 7 HD2 LYS 86 HD2 LYS 86 3.486 -12.792 2.077 8 HD3 LYS 86 HD3 LYS 86 4.951 -12.625 1.105 9 HE2 LYS 86 HE2 LYS 86 4.996 -14.562 2.677 10 HE3 LYS 86 HE3 LYS 86 6.320 -13.430 2.916 11 HZ1 LYS 86 HZ1 LYS 86 3.833 -13.482 4.540 12 HZ2 LYS 86 HZ2 LYS 86 5.303 -14.185 5.001 13 HZ3 LYS 86 HZ3 LYS 86 5.189 -12.507 4.808 No H/Q in entry = 13 In of MODEL 8 1 H ILE 87 H ILE 87 0.590 -10.716 1.207 2 HA ILE 87 HA ILE 87 -0.144 -7.996 0.338 3 HB ILE 87 HB ILE 87 -1.508 -10.537 -0.165 4 HG12 ILE 87 HG12 ILE 87 -0.965 -9.316 -2.078 5 HG13 ILE 87 HG13 ILE 87 -2.676 -8.919 -1.858 6 HG21 ILE 87 HG21 ILE 87 -3.102 -8.224 0.899 7 HG22 ILE 87 HG22 ILE 87 -3.793 -9.521 -0.079 8 HG23 ILE 87 HG23 ILE 87 -3.077 -9.886 1.496 9 HD11 ILE 87 HD11 ILE 87 -2.059 -6.837 -0.781 10 HD12 ILE 87 HD12 ILE 87 -0.355 -7.213 -1.024 11 HD13 ILE 87 HD13 ILE 87 -1.409 -6.955 -2.410 No H/Q in entry = 11 In of MODEL 8 1 H VAL 88 H VAL 88 -0.946 -6.616 1.717 2 HA VAL 88 HA VAL 88 -1.820 -7.598 4.348 3 HB VAL 88 HB VAL 88 0.191 -6.227 4.553 4 HG11 VAL 88 HG11 VAL 88 -1.359 -4.049 3.199 5 HG12 VAL 88 HG12 VAL 88 0.215 -3.863 3.974 6 HG13 VAL 88 HG13 VAL 88 0.050 -4.894 2.550 7 HG21 VAL 88 HG21 VAL 88 -2.338 -4.953 5.533 8 HG22 VAL 88 HG22 VAL 88 -1.274 -6.062 6.399 9 HG23 VAL 88 HG23 VAL 88 -0.735 -4.419 6.038 No H/Q in entry = 9 In of MODEL 8 1 H LYS 89 H LYS 89 -3.935 -7.263 4.737 2 HA LYS 89 HA LYS 89 -5.322 -5.550 2.819 3 HB2 LYS 89 HB2 LYS 89 -6.425 -7.828 4.470 4 HB3 LYS 89 HB3 LYS 89 -7.293 -6.915 3.240 5 HG2 LYS 89 HG2 LYS 89 -6.087 -7.869 1.496 6 HG3 LYS 89 HG3 LYS 89 -4.767 -8.336 2.565 7 HD2 LYS 89 HD2 LYS 89 -7.521 -9.500 2.766 8 HD3 LYS 89 HD3 LYS 89 -6.241 -10.220 1.785 9 HE2 LYS 89 HE2 LYS 89 -4.843 -10.263 3.900 10 HE3 LYS 89 HE3 LYS 89 -6.318 -9.846 4.774 11 HZ1 LYS 89 HZ1 LYS 89 -7.331 -11.872 3.748 12 HZ2 LYS 89 HZ2 LYS 89 -5.789 -12.290 3.181 13 HZ3 LYS 89 HZ3 LYS 89 -6.075 -12.183 4.847 No H/Q in entry = 13 In of MODEL 8 1 H TRP 90 H TRP 90 -7.042 -4.231 3.589 2 HA TRP 90 HA TRP 90 -6.448 -3.211 6.238 3 HB2 TRP 90 HB2 TRP 90 -6.566 -1.596 4.387 4 HB3 TRP 90 HB3 TRP 90 -8.213 -2.110 4.044 5 HD1 TRP 90 HD1 TRP 90 -6.602 -0.917 7.414 6 HE1 TRP 90 HE1 TRP 90 -8.067 0.920 8.363 7 HE3 TRP 90 HE3 TRP 90 -10.059 -0.599 3.606 8 HZ2 TRP 90 HZ2 TRP 90 -10.423 2.301 7.666 9 HZ3 TRP 90 HZ3 TRP 90 -11.881 1.018 3.834 10 HH2 TRP 90 HH2 TRP 90 -12.074 2.455 5.796 No H/Q in entry = 10 In of MODEL 8 1 H ASP 91 H ASP 91 -7.679 -3.451 7.962 2 HA ASP 91 HA ASP 91 -9.642 -5.500 7.982 3 HB2 ASP 91 HB2 ASP 91 -9.868 -4.899 10.403 4 HB3 ASP 91 HB3 ASP 91 -8.207 -5.214 9.909 No H/Q in entry = 4 In of MODEL 8 1 H ARG 92 H ARG 92 -11.509 -5.126 6.948 2 HA ARG 92 HA ARG 92 -13.503 -3.564 8.138 3 HB2 ARG 92 HB2 ARG 92 -13.759 -1.679 6.760 4 HB3 ARG 92 HB3 ARG 92 -12.010 -1.806 6.938 5 HG2 ARG 92 HG2 ARG 92 -12.146 -1.409 4.706 6 HG3 ARG 92 HG3 ARG 92 -12.174 -3.188 4.701 7 HD2 ARG 92 HD2 ARG 92 -13.977 -1.732 3.303 8 HD3 ARG 92 HD3 ARG 92 -14.407 -3.256 4.095 9 HE ARG 92 HE ARG 92 -14.786 -0.886 5.708 10 HH11 ARG 92 HH11 ARG 92 -16.238 -3.145 3.453 11 HH12 ARG 92 HH12 ARG 92 -17.861 -2.822 3.977 12 HH21 ARG 92 HH21 ARG 92 -16.905 -0.467 6.412 13 HH22 ARG 92 HH22 ARG 92 -18.242 -1.273 5.644 No H/Q in entry = 13 In of MODEL 8 1 H ASP 93 H ASP 93 -12.389 -5.829 6.064 2 HA ASP 93 HA ASP 93 -14.930 -6.772 5.221 3 HB2 ASP 93 HB2 ASP 93 -14.642 -4.924 3.608 4 HB3 ASP 93 HB3 ASP 93 -13.112 -5.640 3.084 No H/Q in entry = 4 In of MODEL 8 1 HA MET 94 HA MET 94 -11.340 -9.582 4.354 2 HB2 MET 94 HB2 MET 94 -9.069 -9.644 5.368 3 HB3 MET 94 HB3 MET 94 -9.386 -8.168 4.455 4 HG2 MET 94 HG2 MET 94 -9.707 -6.895 6.474 5 HG3 MET 94 HG3 MET 94 -9.657 -8.368 7.451 6 HE1 MET 94 HE1 MET 94 -7.317 -10.042 6.385 7 HE2 MET 94 HE2 MET 94 -5.946 -9.429 7.310 8 HE3 MET 94 HE3 MET 94 -7.505 -9.668 8.098 No H/Q in entry = 8 In of MODEL 9 1 HA MET 1 HA MET 1 4.750 -8.016 6.979 2 HB2 MET 1 HB2 MET 1 4.907 -8.710 9.353 3 HB3 MET 1 HB3 MET 1 4.943 -7.019 9.831 4 HG2 MET 1 HG2 MET 1 2.734 -7.892 10.162 5 HG3 MET 1 HG3 MET 1 2.706 -6.718 8.847 6 HE1 MET 1 HE1 MET 1 3.944 -10.467 8.842 7 HE2 MET 1 HE2 MET 1 2.499 -10.484 9.853 8 HE3 MET 1 HE3 MET 1 2.488 -11.292 8.285 No H/Q in entry = 8 In of MODEL 9 1 H ILE 2 H ILE 2 3.340 -6.603 6.129 2 HA ILE 2 HA ILE 2 4.002 -3.752 6.280 3 HB ILE 2 HB ILE 2 1.827 -4.949 4.550 4 HG12 ILE 2 HG12 ILE 2 4.612 -4.639 3.459 5 HG13 ILE 2 HG13 ILE 2 4.161 -6.120 4.307 6 HG21 ILE 2 HG21 ILE 2 2.123 -2.456 4.770 7 HG22 ILE 2 HG22 ILE 2 3.672 -2.643 3.944 8 HG23 ILE 2 HG23 ILE 2 2.177 -3.085 3.123 9 HD11 ILE 2 HD11 ILE 2 2.778 -4.991 1.880 10 HD12 ILE 2 HD12 ILE 2 3.906 -6.348 1.894 11 HD13 ILE 2 HD13 ILE 2 2.350 -6.485 2.712 No H/Q in entry = 11 In of MODEL 9 1 H GLN 3 H GLN 3 2.359 -2.210 6.801 2 HA GLN 3 HA GLN 3 -0.096 -3.302 8.004 3 HB2 GLN 3 HB2 GLN 3 1.706 -1.186 9.214 4 HB3 GLN 3 HB3 GLN 3 0.101 -1.610 9.830 5 HG2 GLN 3 HG2 GLN 3 0.834 -3.827 10.417 6 HG3 GLN 3 HG3 GLN 3 2.405 -3.547 9.621 7 HE21 GLN 3 HE21 GLN 3 0.410 -2.829 12.395 8 HE22 GLN 3 HE22 GLN 3 1.678 -2.163 13.375 No H/Q in entry = 8 In of MODEL 9 1 H VAL 4 H VAL 4 -1.655 -2.561 6.688 2 HA VAL 4 HA VAL 4 -1.441 0.100 5.516 3 HB VAL 4 HB VAL 4 -3.656 -0.635 4.364 4 HG11 VAL 4 HG11 VAL 4 -1.502 -0.474 3.222 5 HG12 VAL 4 HG12 VAL 4 -1.075 -2.090 3.786 6 HG13 VAL 4 HG13 VAL 4 -2.415 -1.875 2.663 7 HG21 VAL 4 HG21 VAL 4 -4.109 -2.506 5.879 8 HG22 VAL 4 HG22 VAL 4 -3.968 -3.044 4.206 9 HG23 VAL 4 HG23 VAL 4 -2.639 -3.306 5.333 No H/Q in entry = 9 In of MODEL 9 1 H TYR 5 H TYR 5 -3.046 1.661 5.644 2 HA TYR 5 HA TYR 5 -5.194 1.492 7.543 3 HB2 TYR 5 HB2 TYR 5 -2.691 3.025 8.196 4 HB3 TYR 5 HB3 TYR 5 -4.254 3.550 8.818 5 HD1 TYR 5 HD1 TYR 5 -1.410 1.736 9.634 6 HD2 TYR 5 HD2 TYR 5 -5.653 1.426 9.861 7 HE1 TYR 5 HE1 TYR 5 -1.187 0.082 11.446 8 HE2 TYR 5 HE2 TYR 5 -5.438 -0.228 11.685 9 HH TYR 5 HH TYR 5 -3.802 -1.822 12.511 No H/Q in entry = 9 In of MODEL 9 1 H SER 6 H SER 6 -6.071 3.889 7.827 2 HA SER 6 HA SER 6 -5.736 5.309 5.269 3 HB2 SER 6 HB2 SER 6 -8.328 4.919 6.800 4 HB3 SER 6 HB3 SER 6 -8.136 5.829 5.298 5 HG SER 6 HG SER 6 -7.121 3.339 5.040 No H/Q in entry = 5 In of MODEL 9 1 H ARG 7 H ARG 7 -6.153 7.598 5.346 2 HA ARG 7 HA ARG 7 -5.150 8.682 7.846 3 HB2 ARG 7 HB2 ARG 7 -4.689 9.280 5.199 4 HB3 ARG 7 HB3 ARG 7 -5.751 10.591 5.700 5 HG2 ARG 7 HG2 ARG 7 -3.336 9.841 7.309 6 HG3 ARG 7 HG3 ARG 7 -3.220 10.916 5.916 7 HD2 ARG 7 HD2 ARG 7 -5.230 11.443 8.062 8 HD3 ARG 7 HD3 ARG 7 -3.545 11.912 8.296 9 HE ARG 7 HE ARG 7 -4.116 12.957 5.871 10 HH11 ARG 7 HH11 ARG 7 -5.819 13.117 8.925 11 HH12 ARG 7 HH12 ARG 7 -6.422 14.721 8.647 12 HH21 ARG 7 HH21 ARG 7 -4.915 15.051 5.503 13 HH22 ARG 7 HH22 ARG 7 -5.904 15.825 6.710 No H/Q in entry = 13 In of MODEL 9 1 H HIS 8 H HIS 8 -8.160 8.197 6.451 2 HA HIS 8 HA HIS 8 -9.416 9.963 8.415 3 HB2 HIS 8 HB2 HIS 8 -10.186 9.780 5.490 4 HB3 HIS 8 HB3 HIS 8 -11.168 10.559 6.722 5 HD2 HIS 8 HD2 HIS 8 -9.972 12.924 7.839 6 HE1 HIS 8 HE1 HIS 8 -7.461 13.444 4.473 7 HE2 HIS 8 HE2 HIS 8 -8.568 14.601 6.438 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 9 HA PRO 9 -11.944 6.482 9.256 2 HB2 PRO 9 HB2 PRO 9 -14.529 7.725 9.246 3 HB3 PRO 9 HB3 PRO 9 -13.489 7.365 10.634 4 HG2 PRO 9 HG2 PRO 9 -14.102 9.913 9.673 5 HG3 PRO 9 HG3 PRO 9 -12.742 9.511 10.734 6 HD2 PRO 9 HD2 PRO 9 -12.761 10.075 7.804 7 HD3 PRO 9 HD3 PRO 9 -11.492 10.352 9.016 No H/Q in entry = 7 In of MODEL 9 1 H ALA 10 H ALA 10 -12.793 4.751 8.227 2 HA ALA 10 HA ALA 10 -13.373 4.653 5.529 3 HB1 ALA 10 HB1 ALA 10 -14.217 2.412 5.966 4 HB2 ALA 10 HB2 ALA 10 -12.764 2.719 6.920 5 HB3 ALA 10 HB3 ALA 10 -14.348 2.785 7.683 No H/Q in entry = 5 In of MODEL 9 1 H GLU 11 H GLU 11 -15.044 5.861 4.572 2 HA GLU 11 HA GLU 11 -17.724 5.112 5.562 3 HB2 GLU 11 HB2 GLU 11 -16.667 7.690 4.625 4 HB3 GLU 11 HB3 GLU 11 -18.230 7.254 3.947 5 HG2 GLU 11 HG2 GLU 11 -17.527 7.483 6.853 6 HG3 GLU 11 HG3 GLU 11 -18.534 8.577 5.908 No H/Q in entry = 6 In of MODEL 9 1 H ASN 12 H ASN 12 -18.884 3.816 4.261 2 HA ASN 12 HA ASN 12 -18.029 2.989 1.706 3 HB2 ASN 12 HB2 ASN 12 -19.420 1.469 2.868 4 HB3 ASN 12 HB3 ASN 12 -20.643 2.688 3.228 5 HD21 ASN 12 HD21 ASN 12 -22.138 3.231 1.609 6 HD22 ASN 12 HD22 ASN 12 -22.372 2.237 0.209 No H/Q in entry = 6 In of MODEL 9 1 H GLY 13 H GLY 13 -17.992 4.126 -0.097 2 HA2 GLY 13 HA2 GLY 13 -20.206 6.018 -0.659 3 HA3 GLY 13 HA3 GLY 13 -19.342 5.108 -1.881 No H/Q in entry = 3 In of MODEL 9 1 H LYS 14 H LYS 14 -17.357 6.430 0.613 2 HA LYS 14 HA LYS 14 -16.963 8.926 -0.883 3 HB2 LYS 14 HB2 LYS 14 -15.398 8.160 1.559 4 HB3 LYS 14 HB3 LYS 14 -15.789 9.761 0.966 5 HG2 LYS 14 HG2 LYS 14 -17.676 7.826 2.284 6 HG3 LYS 14 HG3 LYS 14 -16.967 9.266 3.004 7 HD2 LYS 14 HD2 LYS 14 -18.865 9.227 0.663 8 HD3 LYS 14 HD3 LYS 14 -19.289 9.610 2.343 9 HE2 LYS 14 HE2 LYS 14 -17.417 11.155 0.535 10 HE3 LYS 14 HE3 LYS 14 -19.023 11.653 1.060 11 HZ1 LYS 14 HZ1 LYS 14 -18.177 11.653 3.363 12 HZ2 LYS 14 HZ2 LYS 14 -16.621 11.314 2.776 13 HZ3 LYS 14 HZ3 LYS 14 -17.378 12.771 2.367 No H/Q in entry = 13 In of MODEL 9 1 H SER 15 H SER 15 -15.017 9.581 -1.726 2 HA SER 15 HA SER 15 -12.997 7.493 -2.034 3 HB2 SER 15 HB2 SER 15 -12.011 9.425 -3.592 4 HB3 SER 15 HB3 SER 15 -13.219 8.271 -4.161 5 HG SER 15 HG SER 15 -13.422 10.985 -3.722 No H/Q in entry = 5 In of MODEL 9 1 H ASN 16 H ASN 16 -10.869 7.811 -1.469 2 HA ASN 16 HA ASN 16 -9.969 9.996 0.145 3 HB2 ASN 16 HB2 ASN 16 -11.812 8.685 1.526 4 HB3 ASN 16 HB3 ASN 16 -10.521 7.495 1.714 5 HD21 ASN 16 HD21 ASN 16 -11.969 9.296 3.606 6 HD22 ASN 16 HD22 ASN 16 -10.707 10.143 4.431 No H/Q in entry = 6 In of MODEL 9 1 H PHE 17 H PHE 17 -7.958 8.735 1.588 2 HA PHE 17 HA PHE 17 -6.574 7.444 -0.676 3 HB2 PHE 17 HB2 PHE 17 -5.593 9.349 1.427 4 HB3 PHE 17 HB3 PHE 17 -4.472 8.351 0.506 5 HD1 PHE 17 HD1 PHE 17 -6.079 8.394 -2.079 6 HD2 PHE 17 HD2 PHE 17 -4.860 11.476 0.595 7 HE1 PHE 17 HE1 PHE 17 -6.123 10.012 -3.934 8 HE2 PHE 17 HE2 PHE 17 -4.907 13.098 -1.251 9 HZ PHE 17 HZ PHE 17 -5.538 12.369 -3.517 No H/Q in entry = 9 In of MODEL 9 1 H LEU 18 H LEU 18 -5.723 5.497 -0.505 2 HA LEU 18 HA LEU 18 -5.782 4.134 2.072 3 HB2 LEU 18 HB2 LEU 18 -6.582 2.798 0.254 4 HB3 LEU 18 HB3 LEU 18 -5.166 3.168 -0.716 5 HG LEU 18 HG LEU 18 -3.758 1.753 0.697 6 HD11 LEU 18 HD11 LEU 18 -6.247 1.366 2.368 7 HD12 LEU 18 HD12 LEU 18 -4.800 0.363 2.482 8 HD13 LEU 18 HD13 LEU 18 -4.714 2.078 2.871 9 HD21 LEU 18 HD21 LEU 18 -6.334 0.393 -0.094 10 HD22 LEU 18 HD22 LEU 18 -4.928 0.667 -1.123 11 HD23 LEU 18 HD23 LEU 18 -4.809 -0.420 0.259 No H/Q in entry = 11 In of MODEL 9 1 H ASN 19 H ASN 19 -4.096 3.915 3.349 2 HA ASN 19 HA ASN 19 -1.465 4.680 2.275 3 HB2 ASN 19 HB2 ASN 19 -1.368 6.082 4.033 4 HB3 ASN 19 HB3 ASN 19 -2.818 5.385 4.750 5 HD21 ASN 19 HD21 ASN 19 0.654 5.245 4.601 6 HD22 ASN 19 HD22 ASN 19 0.868 4.331 6.049 No H/Q in entry = 6 In of MODEL 9 1 H CYS 20 H CYS 20 -0.042 3.118 1.953 2 HA CYS 20 HA CYS 20 -0.096 0.774 3.734 3 HB2 CYS 20 HB2 CYS 20 -0.335 0.038 1.475 4 HB3 CYS 20 HB3 CYS 20 0.866 1.192 0.879 No H/Q in entry = 4 In of MODEL 9 1 H TYR 21 H TYR 21 1.413 0.989 5.334 2 HA TYR 21 HA TYR 21 3.801 2.597 4.846 3 HB2 TYR 21 HB2 TYR 21 3.121 1.000 7.316 4 HB3 TYR 21 HB3 TYR 21 4.407 2.163 7.160 5 HD1 TYR 21 HD1 TYR 21 3.817 4.595 6.953 6 HD2 TYR 21 HD2 TYR 21 0.974 1.631 8.030 7 HE1 TYR 21 HE1 TYR 21 2.404 6.327 7.974 8 HE2 TYR 21 HE2 TYR 21 -0.455 3.354 9.044 9 HH TYR 21 HH TYR 21 0.178 6.734 8.638 No H/Q in entry = 9 In of MODEL 9 1 H VAL 22 H VAL 22 5.359 1.544 3.679 2 HA VAL 22 HA VAL 22 5.946 -1.195 4.505 3 HB VAL 22 HB VAL 22 7.007 0.424 2.156 4 HG11 VAL 22 HG11 VAL 22 8.597 -1.298 2.955 5 HG12 VAL 22 HG12 VAL 22 7.344 -2.526 2.751 6 HG13 VAL 22 HG13 VAL 22 7.965 -1.656 1.344 7 HG21 VAL 22 HG21 VAL 22 4.938 -1.774 2.275 8 HG22 VAL 22 HG22 VAL 22 4.670 -0.083 1.849 9 HG23 VAL 22 HG23 VAL 22 5.628 -1.118 0.787 No H/Q in entry = 9 In of MODEL 9 1 H SER 23 H SER 23 7.433 -1.397 6.023 2 HA SER 23 HA SER 23 9.065 0.775 6.865 3 HB2 SER 23 HB2 SER 23 8.147 -0.876 8.420 4 HB3 SER 23 HB3 SER 23 9.157 -2.137 7.690 5 HG SER 23 HG SER 23 9.770 -0.255 9.562 No H/Q in entry = 5 In of MODEL 9 1 H GLY 24 H GLY 24 11.710 -1.142 7.118 2 HA2 GLY 24 HA2 GLY 24 13.620 -0.248 6.303 3 HA3 GLY 24 HA3 GLY 24 12.685 1.059 5.606 No H/Q in entry = 3 In of MODEL 9 1 H PHE 25 H PHE 25 14.693 -1.334 4.952 2 HA PHE 25 HA PHE 25 15.169 -2.734 3.107 3 HB2 PHE 25 HB2 PHE 25 12.571 -1.647 1.943 4 HB3 PHE 25 HB3 PHE 25 13.622 -2.807 1.141 5 HD1 PHE 25 HD1 PHE 25 13.524 -5.152 1.675 6 HD2 PHE 25 HD2 PHE 25 11.255 -2.352 3.951 7 HE1 PHE 25 HE1 PHE 25 12.213 -7.010 2.657 8 HE2 PHE 25 HE2 PHE 25 9.947 -4.203 4.938 9 HZ PHE 25 HZ PHE 25 10.415 -6.518 4.267 No H/Q in entry = 9 In of MODEL 9 1 H HIS 26 H HIS 26 15.665 -2.156 0.703 2 HA HIS 26 HA HIS 26 16.399 0.671 0.553 3 HB2 HIS 26 HB2 HIS 26 17.125 -1.586 -1.325 4 HB3 HIS 26 HB3 HIS 26 17.836 0.027 -1.306 5 HD2 HIS 26 HD2 HIS 26 19.393 0.564 1.081 6 HE1 HIS 26 HE1 HIS 26 19.876 -3.553 1.929 7 HE2 HIS 26 HE2 HIS 26 20.806 -1.229 2.315 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 27 HA PRO 27 12.367 1.430 -1.379 2 HB2 PRO 27 HB2 PRO 27 14.035 3.828 -2.052 3 HB3 PRO 27 HB3 PRO 27 12.331 3.751 -1.574 4 HG2 PRO 27 HG2 PRO 27 14.184 4.376 0.214 5 HG3 PRO 27 HG3 PRO 27 12.822 3.309 0.654 6 HD2 PRO 27 HD2 PRO 27 15.705 2.653 0.200 7 HD3 PRO 27 HD3 PRO 27 14.502 1.826 1.212 No H/Q in entry = 7 In of MODEL 9 1 H SER 28 H SER 28 15.457 1.915 -3.024 2 HA SER 28 HA SER 28 14.312 2.229 -5.594 3 HB2 SER 28 HB2 SER 28 16.519 3.158 -5.011 4 HB3 SER 28 HB3 SER 28 17.153 1.525 -4.815 5 HG SER 28 HG SER 28 16.042 1.597 -7.200 No H/Q in entry = 5 In of MODEL 9 1 H ASP 29 H ASP 29 15.292 -0.625 -3.756 2 HA ASP 29 HA ASP 29 14.899 -2.253 -6.180 3 HB2 ASP 29 HB2 ASP 29 16.407 -2.937 -3.644 4 HB3 ASP 29 HB3 ASP 29 16.178 -4.023 -5.006 No H/Q in entry = 4 In of MODEL 9 1 H ILE 30 H ILE 30 12.683 -1.303 -4.401 2 HA ILE 30 HA ILE 30 11.659 -4.009 -3.874 3 HB ILE 30 HB ILE 30 10.781 -3.552 -1.835 4 HG12 ILE 30 HG12 ILE 30 10.474 -0.614 -2.556 5 HG13 ILE 30 HG13 ILE 30 9.221 -1.842 -2.650 6 HG21 ILE 30 HG21 ILE 30 12.961 -1.496 -1.986 7 HG22 ILE 30 HG22 ILE 30 12.176 -1.989 -0.486 8 HG23 ILE 30 HG23 ILE 30 13.081 -3.165 -1.438 9 HD11 ILE 30 HD11 ILE 30 10.588 -0.975 -0.117 10 HD12 ILE 30 HD12 ILE 30 9.001 -0.438 -0.667 11 HD13 ILE 30 HD13 ILE 30 9.264 -2.133 -0.256 No H/Q in entry = 11 In of MODEL 9 1 H GLU 31 H GLU 31 9.306 -4.152 -3.972 2 HA GLU 31 HA GLU 31 8.185 -2.206 -5.839 3 HB2 GLU 31 HB2 GLU 31 9.291 -4.609 -6.421 4 HB3 GLU 31 HB3 GLU 31 7.605 -5.025 -6.323 5 HG2 GLU 31 HG2 GLU 31 7.122 -3.361 -8.079 6 HG3 GLU 31 HG3 GLU 31 8.831 -2.896 -8.087 No H/Q in entry = 6 In of MODEL 9 1 H VAL 32 H VAL 32 6.730 -1.419 -4.498 2 HA VAL 32 HA VAL 32 4.802 -3.218 -3.194 3 HB VAL 32 HB VAL 32 5.379 -2.048 -1.348 4 HG11 VAL 32 HG11 VAL 32 7.338 -1.114 -2.495 5 HG12 VAL 32 HG12 VAL 32 6.353 0.245 -3.033 6 HG13 VAL 32 HG13 VAL 32 6.651 -0.007 -1.310 7 HG21 VAL 32 HG21 VAL 32 3.151 -1.142 -1.746 8 HG22 VAL 32 HG22 VAL 32 4.186 0.045 -0.951 9 HG23 VAL 32 HG23 VAL 32 3.845 0.186 -2.676 No H/Q in entry = 9 In of MODEL 9 1 H ASP 33 H ASP 33 2.631 -3.022 -3.611 2 HA ASP 33 HA ASP 33 1.733 -0.770 -5.266 3 HB2 ASP 33 HB2 ASP 33 1.179 -3.711 -5.897 4 HB3 ASP 33 HB3 ASP 33 0.330 -2.357 -6.650 No H/Q in entry = 4 In of MODEL 9 1 H LEU 34 H LEU 34 -0.687 -0.675 -5.302 2 HA LEU 34 HA LEU 34 -1.796 -1.570 -2.720 3 HB2 LEU 34 HB2 LEU 34 -2.189 0.933 -4.303 4 HB3 LEU 34 HB3 LEU 34 -3.537 0.345 -3.353 5 HG LEU 34 HG LEU 34 -2.047 0.411 -1.317 6 HD11 LEU 34 HD11 LEU 34 -0.183 1.889 -3.166 7 HD12 LEU 34 HD12 LEU 34 -0.039 1.816 -1.408 8 HD13 LEU 34 HD13 LEU 34 0.127 0.347 -2.367 9 HD21 LEU 34 HD21 LEU 34 -3.654 2.181 -1.789 10 HD22 LEU 34 HD22 LEU 34 -2.203 2.815 -1.012 11 HD23 LEU 34 HD23 LEU 34 -2.442 3.033 -2.745 No H/Q in entry = 11 In of MODEL 9 1 H LEU 35 H LEU 35 -3.516 -2.932 -2.768 2 HA LEU 35 HA LEU 35 -4.562 -3.649 -5.435 3 HB2 LEU 35 HB2 LEU 35 -4.056 -5.528 -3.135 4 HB3 LEU 35 HB3 LEU 35 -4.616 -5.951 -4.735 5 HG LEU 35 HG LEU 35 -1.866 -5.211 -3.827 6 HD11 LEU 35 HD11 LEU 35 -3.156 -7.414 -5.426 7 HD12 LEU 35 HD12 LEU 35 -1.415 -7.222 -5.289 8 HD13 LEU 35 HD13 LEU 35 -2.385 -7.535 -3.842 9 HD21 LEU 35 HD21 LEU 35 -2.475 -3.781 -5.838 10 HD22 LEU 35 HD22 LEU 35 -1.091 -4.857 -6.036 11 HD23 LEU 35 HD23 LEU 35 -2.646 -5.285 -6.738 No H/Q in entry = 11 In of MODEL 9 1 H LYS 36 H LYS 36 -6.530 -4.951 -5.421 2 HA LYS 36 HA LYS 36 -8.324 -4.615 -3.111 3 HB2 LYS 36 HB2 LYS 36 -9.371 -5.169 -5.863 4 HB3 LYS 36 HB3 LYS 36 -10.161 -4.314 -4.522 5 HG2 LYS 36 HG2 LYS 36 -8.719 -2.396 -4.936 6 HG3 LYS 36 HG3 LYS 36 -7.877 -3.257 -6.205 7 HD2 LYS 36 HD2 LYS 36 -9.535 -1.623 -7.086 8 HD3 LYS 36 HD3 LYS 36 -9.828 -3.280 -7.622 9 HE2 LYS 36 HE2 LYS 36 -11.916 -2.044 -7.025 10 HE3 LYS 36 HE3 LYS 36 -11.682 -3.472 -6.027 11 HZ1 LYS 36 HZ1 LYS 36 -10.968 -0.698 -5.229 12 HZ2 LYS 36 HZ2 LYS 36 -12.413 -1.473 -4.807 13 HZ3 LYS 36 HZ3 LYS 36 -10.934 -2.071 -4.237 No H/Q in entry = 13 In of MODEL 9 1 H ASN 37 H ASN 37 -8.400 -6.596 -2.145 2 HA ASN 37 HA ASN 37 -7.931 -8.834 -1.901 3 HB2 ASN 37 HB2 ASN 37 -9.873 -9.741 -3.781 4 HB3 ASN 37 HB3 ASN 37 -10.064 -9.666 -2.057 5 HD21 ASN 37 HD21 ASN 37 -10.429 -7.815 -5.062 6 HD22 ASN 37 HD22 ASN 37 -11.656 -6.755 -4.446 No H/Q in entry = 6 In of MODEL 9 1 H GLY 38 H GLY 38 -5.934 -8.113 -3.367 2 HA2 GLY 38 HA2 GLY 38 -5.443 -10.349 -5.071 3 HA3 GLY 38 HA3 GLY 38 -4.313 -9.066 -4.712 No H/Q in entry = 3 In of MODEL 9 1 H GLU 39 H GLU 39 -6.273 -7.002 -5.787 2 HA GLU 39 HA GLU 39 -5.733 -7.535 -8.625 3 HB2 GLU 39 HB2 GLU 39 -8.134 -7.878 -8.214 4 HB3 GLU 39 HB3 GLU 39 -8.251 -6.281 -7.495 5 HG2 GLU 39 HG2 GLU 39 -9.139 -6.279 -9.762 6 HG3 GLU 39 HG3 GLU 39 -7.705 -5.256 -9.649 No H/Q in entry = 6 In of MODEL 9 1 H ARG 40 H ARG 40 -4.436 -6.052 -9.419 2 HA ARG 40 HA ARG 40 -3.486 -3.831 -8.035 3 HB2 ARG 40 HB2 ARG 40 -2.668 -5.162 -10.220 4 HB3 ARG 40 HB3 ARG 40 -3.450 -3.817 -11.031 5 HG2 ARG 40 HG2 ARG 40 -2.008 -2.258 -9.785 6 HG3 ARG 40 HG3 ARG 40 -1.200 -3.634 -9.046 7 HD2 ARG 40 HD2 ARG 40 0.188 -2.931 -10.852 8 HD3 ARG 40 HD3 ARG 40 -0.612 -4.407 -11.392 9 HE ARG 40 HE ARG 40 -2.207 -2.979 -12.612 10 HH11 ARG 40 HH11 ARG 40 0.928 -1.629 -11.742 11 HH12 ARG 40 HH12 ARG 40 0.904 -0.467 -13.040 12 HH21 ARG 40 HH21 ARG 40 -2.235 -1.449 -14.263 13 HH22 ARG 40 HH22 ARG 40 -0.908 -0.339 -14.455 No H/Q in entry = 13 In of MODEL 9 1 H ILE 41 H ILE 41 -4.449 -2.062 -7.499 2 HA ILE 41 HA ILE 41 -6.958 -1.206 -8.392 3 HB ILE 41 HB ILE 41 -4.818 0.349 -6.979 4 HG12 ILE 41 HG12 ILE 41 -7.207 -1.175 -5.924 5 HG13 ILE 41 HG13 ILE 41 -5.537 -1.710 -5.807 6 HG21 ILE 41 HG21 ILE 41 -7.764 0.945 -7.269 7 HG22 ILE 41 HG22 ILE 41 -6.668 1.799 -6.184 8 HG23 ILE 41 HG23 ILE 41 -6.434 1.888 -7.929 9 HD11 ILE 41 HD11 ILE 41 -6.348 0.879 -4.589 10 HD12 ILE 41 HD12 ILE 41 -6.727 -0.650 -3.787 11 HD13 ILE 41 HD13 ILE 41 -5.042 -0.230 -4.145 No H/Q in entry = 11 In of MODEL 9 1 H GLU 42 H GLU 42 -4.118 0.882 -8.625 2 HA GLU 42 HA GLU 42 -2.969 0.822 -10.893 3 HB2 GLU 42 HB2 GLU 42 -5.748 1.690 -11.672 4 HB3 GLU 42 HB3 GLU 42 -4.350 2.135 -12.609 5 HG2 GLU 42 HG2 GLU 42 -4.256 0.147 -13.527 6 HG3 GLU 42 HG3 GLU 42 -4.575 -0.735 -12.058 No H/Q in entry = 6 In of MODEL 9 1 H LYS 43 H LYS 43 -5.211 3.085 -9.330 2 HA LYS 43 HA LYS 43 -3.883 5.392 -10.413 3 HB2 LYS 43 HB2 LYS 43 -5.848 5.389 -8.132 4 HB3 LYS 43 HB3 LYS 43 -5.528 6.671 -9.286 5 HG2 LYS 43 HG2 LYS 43 -7.060 4.114 -9.759 6 HG3 LYS 43 HG3 LYS 43 -7.673 5.765 -9.774 7 HD2 LYS 43 HD2 LYS 43 -5.715 4.597 -11.741 8 HD3 LYS 43 HD3 LYS 43 -7.429 4.884 -12.036 9 HE2 LYS 43 HE2 LYS 43 -7.007 7.309 -11.554 10 HE3 LYS 43 HE3 LYS 43 -5.284 6.935 -11.524 11 HZ1 LYS 43 HZ1 LYS 43 -5.535 6.065 -13.813 12 HZ2 LYS 43 HZ2 LYS 43 -7.138 6.621 -13.817 13 HZ3 LYS 43 HZ3 LYS 43 -5.860 7.725 -13.686 No H/Q in entry = 13 In of MODEL 9 1 H VAL 44 H VAL 44 -1.851 4.160 -9.198 2 HA VAL 44 HA VAL 44 -1.653 5.456 -6.574 3 HB VAL 44 HB VAL 44 -1.603 2.699 -6.901 4 HG11 VAL 44 HG11 VAL 44 0.593 2.758 -7.951 5 HG12 VAL 44 HG12 VAL 44 1.226 3.654 -6.571 6 HG13 VAL 44 HG13 VAL 44 0.672 1.994 -6.363 7 HG21 VAL 44 HG21 VAL 44 -2.067 3.889 -4.846 8 HG22 VAL 44 HG22 VAL 44 -0.833 2.656 -4.583 9 HG23 VAL 44 HG23 VAL 44 -0.370 4.353 -4.714 No H/Q in entry = 9 In of MODEL 9 1 H GLU 45 H GLU 45 0.054 6.756 -6.364 2 HA GLU 45 HA GLU 45 2.253 6.535 -8.268 3 HB2 GLU 45 HB2 GLU 45 0.272 8.762 -8.207 4 HB3 GLU 45 HB3 GLU 45 1.957 9.159 -8.523 5 HG2 GLU 45 HG2 GLU 45 0.347 7.151 -10.085 6 HG3 GLU 45 HG3 GLU 45 0.614 8.827 -10.568 No H/Q in entry = 6 In of MODEL 9 1 H HIS 46 H HIS 46 3.911 6.368 -6.916 2 HA HIS 46 HA HIS 46 4.725 8.888 -5.809 3 HB2 HIS 46 HB2 HIS 46 3.573 7.360 -3.954 4 HB3 HIS 46 HB3 HIS 46 5.141 6.557 -3.975 5 HD2 HIS 46 HD2 HIS 46 7.337 8.604 -3.601 6 HE1 HIS 46 HE1 HIS 46 4.767 10.858 -1.107 7 HE2 HIS 46 HE2 HIS 46 7.128 10.638 -2.005 No H/Q in entry = 7 In of MODEL 9 1 H SER 47 H SER 47 6.887 9.119 -6.116 2 HA SER 47 HA SER 47 8.000 7.002 -7.745 3 HB2 SER 47 HB2 SER 47 9.701 8.859 -8.282 4 HB3 SER 47 HB3 SER 47 8.042 9.082 -8.838 5 HG SER 47 HG SER 47 7.772 10.683 -7.464 No H/Q in entry = 5 In of MODEL 9 1 H ASP 48 H ASP 48 9.263 5.578 -6.898 2 HA ASP 48 HA ASP 48 10.721 5.779 -4.518 3 HB2 ASP 48 HB2 ASP 48 12.028 3.839 -5.424 4 HB3 ASP 48 HB3 ASP 48 10.285 3.604 -5.482 No H/Q in entry = 4 In of MODEL 9 1 H LEU 49 H LEU 49 13.051 5.995 -4.274 2 HA LEU 49 HA LEU 49 13.832 8.248 -5.996 3 HB2 LEU 49 HB2 LEU 49 15.525 8.494 -3.881 4 HB3 LEU 49 HB3 LEU 49 14.016 9.374 -4.053 5 HG LEU 49 HG LEU 49 14.345 8.498 -1.791 6 HD11 LEU 49 HD11 LEU 49 12.067 7.180 -3.252 7 HD12 LEU 49 HD12 LEU 49 12.216 7.253 -1.497 8 HD13 LEU 49 HD13 LEU 49 12.057 8.741 -2.427 9 HD21 LEU 49 HD21 LEU 49 15.708 6.546 -2.294 10 HD22 LEU 49 HD22 LEU 49 14.324 6.119 -1.290 11 HD23 LEU 49 HD23 LEU 49 14.310 5.738 -3.009 No H/Q in entry = 11 In of MODEL 9 1 H SER 50 H SER 50 16.506 8.355 -5.006 2 HA SER 50 HA SER 50 17.587 6.207 -6.709 3 HB2 SER 50 HB2 SER 50 18.653 9.022 -6.375 4 HB3 SER 50 HB3 SER 50 19.357 7.767 -7.394 5 HG SER 50 HG SER 50 16.702 8.153 -7.914 No H/Q in entry = 5 In of MODEL 9 1 H PHE 51 H PHE 51 17.708 7.896 -3.730 2 HA PHE 51 HA PHE 51 20.247 6.663 -2.999 3 HB2 PHE 51 HB2 PHE 51 20.038 8.234 -0.980 4 HB3 PHE 51 HB3 PHE 51 20.375 8.961 -2.543 5 HD1 PHE 51 HD1 PHE 51 18.542 10.128 -3.771 6 HD2 PHE 51 HD2 PHE 51 18.083 8.780 0.238 7 HE1 PHE 51 HE1 PHE 51 16.620 11.636 -3.489 8 HE2 PHE 51 HE2 PHE 51 16.156 10.280 0.525 9 HZ PHE 51 HZ PHE 51 15.423 11.714 -1.339 No H/Q in entry = 9 In of MODEL 9 1 H SER 52 H SER 52 19.865 4.665 -2.339 2 HA SER 52 HA SER 52 18.141 4.381 0.033 3 HB2 SER 52 HB2 SER 52 18.669 2.273 -2.082 4 HB3 SER 52 HB3 SER 52 17.638 2.092 -0.663 5 HG SER 52 HG SER 52 16.913 4.276 -2.052 No H/Q in entry = 5 In of MODEL 9 1 H LYS 53 H LYS 53 19.869 4.762 1.423 2 HA LYS 53 HA LYS 53 22.404 3.514 1.116 3 HB2 LYS 53 HB2 LYS 53 21.215 4.845 3.558 4 HB3 LYS 53 HB3 LYS 53 22.910 4.420 3.341 5 HG2 LYS 53 HG2 LYS 53 22.997 5.940 1.388 6 HG3 LYS 53 HG3 LYS 53 21.338 6.426 1.734 7 HD2 LYS 53 HD2 LYS 53 23.703 6.762 3.580 8 HD3 LYS 53 HD3 LYS 53 22.952 8.038 2.622 9 HE2 LYS 53 HE2 LYS 53 20.820 7.587 3.840 10 HE3 LYS 53 HE3 LYS 53 21.712 6.480 4.882 11 HZ1 LYS 53 HZ1 LYS 53 23.164 8.373 5.481 12 HZ2 LYS 53 HZ2 LYS 53 22.151 9.404 4.590 13 HZ3 LYS 53 HZ3 LYS 53 21.552 8.593 5.951 No H/Q in entry = 13 In of MODEL 9 1 H ASP 54 H ASP 54 20.529 3.145 4.147 2 HA ASP 54 HA ASP 54 20.396 0.271 3.627 3 HB2 ASP 54 HB2 ASP 54 21.112 -0.248 5.900 4 HB3 ASP 54 HB3 ASP 54 22.366 0.661 5.068 No H/Q in entry = 4 In of MODEL 9 1 H TRP 55 H TRP 55 18.661 2.866 3.933 2 HA TRP 55 HA TRP 55 16.593 1.554 5.534 3 HB2 TRP 55 HB2 TRP 55 15.862 3.798 6.354 4 HB3 TRP 55 HB3 TRP 55 17.367 3.207 7.021 5 HD1 TRP 55 HD1 TRP 55 18.489 5.368 7.694 6 HE1 TRP 55 HE1 TRP 55 19.269 7.489 6.506 7 HE3 TRP 55 HE3 TRP 55 16.418 4.612 2.989 8 HZ2 TRP 55 HZ2 TRP 55 19.097 8.696 3.993 9 HZ3 TRP 55 HZ3 TRP 55 16.813 6.328 1.290 10 HH2 TRP 55 HH2 TRP 55 18.118 8.324 1.768 No H/Q in entry = 10 In of MODEL 9 1 H SER 56 H SER 56 14.438 2.677 5.241 2 HA SER 56 HA SER 56 14.235 4.123 2.682 3 HB2 SER 56 HB2 SER 56 12.034 3.206 2.323 4 HB3 SER 56 HB3 SER 56 13.122 1.848 2.606 5 HG SER 56 HG SER 56 11.522 1.389 3.951 No H/Q in entry = 5 In of MODEL 9 1 H PHE 57 H PHE 57 14.264 4.184 5.880 2 HA PHE 57 HA PHE 57 13.299 5.103 7.635 3 HB2 PHE 57 HB2 PHE 57 12.666 7.587 7.352 4 HB3 PHE 57 HB3 PHE 57 14.335 7.076 7.176 5 HD1 PHE 57 HD1 PHE 57 11.390 8.396 5.424 6 HD2 PHE 57 HD2 PHE 57 15.468 7.232 5.085 7 HE1 PHE 57 HE1 PHE 57 11.537 9.547 3.255 8 HE2 PHE 57 HE2 PHE 57 15.626 8.377 2.920 9 HZ PHE 57 HZ PHE 57 13.654 9.540 1.999 No H/Q in entry = 9 In of MODEL 9 1 H TYR 58 H TYR 58 11.097 6.603 5.243 2 HA TYR 58 HA TYR 58 8.924 4.929 6.310 3 HB2 TYR 58 HB2 TYR 58 8.865 6.974 7.587 4 HB3 TYR 58 HB3 TYR 58 9.123 7.953 6.157 5 HD1 TYR 58 HD1 TYR 58 6.614 5.937 7.997 6 HD2 TYR 58 HD2 TYR 58 7.299 8.676 4.812 7 HE1 TYR 58 HE1 TYR 58 4.183 6.337 7.829 8 HE2 TYR 58 HE2 TYR 58 4.856 9.075 4.621 9 HH TYR 58 HH TYR 58 2.657 8.061 7.012 No H/Q in entry = 9 In of MODEL 9 1 H LEU 59 H LEU 59 8.248 3.873 4.508 2 HA LEU 59 HA LEU 59 8.205 5.301 1.940 3 HB2 LEU 59 HB2 LEU 59 8.374 2.454 2.803 4 HB3 LEU 59 HB3 LEU 59 7.535 2.766 1.304 5 HG LEU 59 HG LEU 59 10.398 3.674 1.754 6 HD11 LEU 59 HD11 LEU 59 9.405 1.090 0.567 7 HD12 LEU 59 HD12 LEU 59 11.068 1.668 0.559 8 HD13 LEU 59 HD13 LEU 59 10.283 1.268 2.084 9 HD21 LEU 59 HD21 LEU 59 8.633 3.254 -0.661 10 HD22 LEU 59 HD22 LEU 59 9.286 4.784 -0.076 11 HD23 LEU 59 HD23 LEU 59 10.367 3.564 -0.743 No H/Q in entry = 11 In of MODEL 9 1 H LEU 60 H LEU 60 6.287 6.113 1.256 2 HA LEU 60 HA LEU 60 3.802 4.685 1.896 3 HB2 LEU 60 HB2 LEU 60 3.967 6.456 3.481 4 HB3 LEU 60 HB3 LEU 60 4.511 7.580 2.266 5 HG LEU 60 HG LEU 60 1.949 6.901 1.425 6 HD11 LEU 60 HD11 LEU 60 1.682 5.823 3.678 7 HD12 LEU 60 HD12 LEU 60 1.890 7.422 4.381 8 HD13 LEU 60 HD13 LEU 60 0.524 7.104 3.314 9 HD21 LEU 60 HD21 LEU 60 3.080 9.119 1.418 10 HD22 LEU 60 HD22 LEU 60 1.408 9.162 1.976 11 HD23 LEU 60 HD23 LEU 60 2.727 9.249 3.138 No H/Q in entry = 11 In of MODEL 9 1 H TYR 61 H TYR 61 2.328 4.638 0.241 2 HA TYR 61 HA TYR 61 2.766 6.311 -2.155 3 HB2 TYR 61 HB2 TYR 61 1.924 3.390 -1.959 4 HB3 TYR 61 HB3 TYR 61 1.685 4.348 -3.427 5 HD1 TYR 61 HD1 TYR 61 4.379 3.228 -1.080 6 HD2 TYR 61 HD2 TYR 61 3.382 4.504 -5.008 7 HE1 TYR 61 HE1 TYR 61 6.665 2.670 -1.845 8 HE2 TYR 61 HE2 TYR 61 5.648 3.956 -5.779 9 HH TYR 61 HH TYR 61 7.770 2.061 -4.075 No H/Q in entry = 9 In of MODEL 9 1 H TYR 62 H TYR 62 0.613 6.663 -3.398 2 HA TYR 62 HA TYR 62 -1.649 6.514 -1.545 3 HB2 TYR 62 HB2 TYR 62 -2.358 8.822 -2.105 4 HB3 TYR 62 HB3 TYR 62 -0.872 8.728 -1.181 5 HD1 TYR 62 HD1 TYR 62 -2.179 9.317 -4.636 6 HD2 TYR 62 HD2 TYR 62 1.072 9.812 -1.942 7 HE1 TYR 62 HE1 TYR 62 -1.111 10.867 -6.217 8 HE2 TYR 62 HE2 TYR 62 2.148 11.357 -3.516 9 HH TYR 62 HH TYR 62 0.581 12.791 -6.057 No H/Q in entry = 9 In of MODEL 9 1 H THR 63 H THR 63 -3.598 6.039 -2.398 2 HA THR 63 HA THR 63 -4.097 6.443 -5.258 3 HB THR 63 HB THR 63 -3.328 4.013 -4.858 4 HG1 THR 63 HG1 THR 63 -5.974 4.207 -5.877 5 HG21 THR 63 HG21 THR 63 -6.057 3.878 -3.589 6 HG22 THR 63 HG22 THR 63 -5.106 2.479 -4.082 7 HG23 THR 63 HG23 THR 63 -4.524 3.536 -2.799 No H/Q in entry = 7 In of MODEL 9 1 H GLU 64 H GLU 64 -6.221 6.897 -5.720 2 HA GLU 64 HA GLU 64 -8.073 7.652 -3.749 3 HB2 GLU 64 HB2 GLU 64 -8.288 8.544 -5.987 4 HB3 GLU 64 HB3 GLU 64 -8.417 6.929 -6.669 5 HG2 GLU 64 HG2 GLU 64 -10.576 6.697 -5.351 6 HG3 GLU 64 HG3 GLU 64 -10.436 8.424 -5.017 No H/Q in entry = 6 In of MODEL 9 1 H PHE 65 H PHE 65 -9.554 6.448 -2.546 2 HA PHE 65 HA PHE 65 -10.273 3.820 -3.643 3 HB2 PHE 65 HB2 PHE 65 -10.190 2.796 -1.517 4 HB3 PHE 65 HB3 PHE 65 -8.721 3.722 -1.687 5 HD1 PHE 65 HD1 PHE 65 -7.963 4.479 0.297 6 HD2 PHE 65 HD2 PHE 65 -12.146 4.572 -0.430 7 HE1 PHE 65 HE1 PHE 65 -8.322 5.502 2.514 8 HE2 PHE 65 HE2 PHE 65 -12.506 5.615 1.770 9 HZ PHE 65 HZ PHE 65 -10.606 6.078 3.248 No H/Q in entry = 9 In of MODEL 9 1 H THR 66 H THR 66 -12.372 3.090 -3.273 2 HA THR 66 HA THR 66 -14.087 4.757 -1.559 3 HB THR 66 HB THR 66 -14.948 3.516 -4.197 4 HG1 THR 66 HG1 THR 66 -13.854 5.978 -3.514 5 HG21 THR 66 HG21 THR 66 -16.372 5.292 -2.202 6 HG22 THR 66 HG22 THR 66 -16.943 4.998 -3.849 7 HG23 THR 66 HG23 THR 66 -16.818 3.660 -2.711 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 67 HA PRO 67 -14.386 0.531 0.054 2 HB2 PRO 67 HB2 PRO 67 -15.836 1.401 2.340 3 HB3 PRO 67 HB3 PRO 67 -14.131 0.968 2.251 4 HG2 PRO 67 HG2 PRO 67 -15.198 3.549 2.669 5 HG3 PRO 67 HG3 PRO 67 -13.504 3.126 2.388 6 HD2 PRO 67 HD2 PRO 67 -15.447 4.350 0.577 7 HD3 PRO 67 HD3 PRO 67 -13.680 4.295 0.458 No H/Q in entry = 7 In of MODEL 9 1 H THR 68 H THR 68 -15.802 -0.918 -0.259 2 HA THR 68 HA THR 68 -18.655 -0.236 -0.449 3 HB THR 68 HB THR 68 -18.824 -1.752 -2.393 4 HG1 THR 68 HG1 THR 68 -16.606 -2.268 -3.345 5 HG21 THR 68 HG21 THR 68 -18.448 0.631 -2.837 6 HG22 THR 68 HG22 THR 68 -16.706 0.363 -2.789 7 HG23 THR 68 HG23 THR 68 -17.674 -0.379 -4.062 No H/Q in entry = 7 In of MODEL 9 1 H GLU 69 H GLU 69 -20.055 -2.128 -0.072 2 HA GLU 69 HA GLU 69 -19.209 -3.936 1.901 3 HB2 GLU 69 HB2 GLU 69 -21.485 -3.531 1.846 4 HB3 GLU 69 HB3 GLU 69 -21.593 -3.648 0.100 5 HG2 GLU 69 HG2 GLU 69 -22.754 -5.492 0.933 6 HG3 GLU 69 HG3 GLU 69 -21.210 -6.123 0.370 No H/Q in entry = 6 In of MODEL 9 1 H LYS 70 H LYS 70 -18.195 -3.929 -1.274 2 HA LYS 70 HA LYS 70 -17.998 -6.849 -1.369 3 HB2 LYS 70 HB2 LYS 70 -17.856 -4.927 -3.689 4 HB3 LYS 70 HB3 LYS 70 -17.810 -6.677 -3.796 5 HG2 LYS 70 HG2 LYS 70 -20.174 -5.322 -2.557 6 HG3 LYS 70 HG3 LYS 70 -20.014 -5.410 -4.307 7 HD2 LYS 70 HD2 LYS 70 -21.376 -7.242 -3.548 8 HD3 LYS 70 HD3 LYS 70 -19.840 -7.873 -4.133 9 HE2 LYS 70 HE2 LYS 70 -19.120 -8.453 -2.021 10 HE3 LYS 70 HE3 LYS 70 -20.173 -7.286 -1.226 11 HZ1 LYS 70 HZ1 LYS 70 -21.063 -9.784 -2.558 12 HZ2 LYS 70 HZ2 LYS 70 -20.918 -9.557 -0.883 13 HZ3 LYS 70 HZ3 LYS 70 -22.066 -8.675 -1.761 No H/Q in entry = 13 In of MODEL 9 1 H ASP 71 H ASP 71 -15.932 -3.941 -1.638 2 HA ASP 71 HA ASP 71 -13.832 -5.678 -2.697 3 HB2 ASP 71 HB2 ASP 71 -13.951 -2.660 -2.722 4 HB3 ASP 71 HB3 ASP 71 -12.739 -3.666 -3.480 No H/Q in entry = 4 In of MODEL 9 1 H GLU 72 H GLU 72 -12.064 -6.105 -1.612 2 HA GLU 72 HA GLU 72 -11.536 -5.014 1.092 3 HB2 GLU 72 HB2 GLU 72 -11.681 -7.441 0.862 4 HB3 GLU 72 HB3 GLU 72 -10.539 -7.430 -0.469 5 HG2 GLU 72 HG2 GLU 72 -8.817 -6.591 1.183 6 HG3 GLU 72 HG3 GLU 72 -9.994 -6.940 2.432 No H/Q in entry = 6 In of MODEL 9 1 H TYR 73 H TYR 73 -9.419 -4.122 1.526 2 HA TYR 73 HA TYR 73 -7.922 -3.409 -0.922 3 HB2 TYR 73 HB2 TYR 73 -8.464 -1.727 1.531 4 HB3 TYR 73 HB3 TYR 73 -7.210 -1.328 0.369 5 HD1 TYR 73 HD1 TYR 73 -10.865 -1.946 0.668 6 HD2 TYR 73 HD2 TYR 73 -7.739 -0.088 -1.547 7 HE1 TYR 73 HE1 TYR 73 -12.537 -0.787 -0.738 8 HE2 TYR 73 HE2 TYR 73 -9.398 1.078 -2.932 9 HH TYR 73 HH TYR 73 -12.783 1.040 -2.203 No H/Q in entry = 9 In of MODEL 9 1 H ALA 74 H ALA 74 -5.814 -3.869 -1.001 2 HA ALA 74 HA ALA 74 -4.447 -4.719 1.454 3 HB1 ALA 74 HB1 ALA 74 -5.319 -6.710 0.369 4 HB2 ALA 74 HB2 ALA 74 -4.564 -6.233 -1.156 5 HB3 ALA 74 HB3 ALA 74 -3.569 -6.662 0.240 No H/Q in entry = 5 In of MODEL 9 1 H CYS 75 H CYS 75 -2.077 -4.705 1.268 2 HA CYS 75 HA CYS 75 -1.097 -3.255 -1.112 3 HB2 CYS 75 HB2 CYS 75 -0.944 -1.709 0.681 4 HB3 CYS 75 HB3 CYS 75 -0.272 -2.918 1.762 No H/Q in entry = 4 In of MODEL 9 1 H ARG 76 H ARG 76 0.496 -4.212 -2.225 2 HA ARG 76 HA ARG 76 1.541 -6.780 -1.228 3 HB2 ARG 76 HB2 ARG 76 0.150 -6.504 -3.380 4 HB3 ARG 76 HB3 ARG 76 1.585 -5.744 -4.059 5 HG2 ARG 76 HG2 ARG 76 2.770 -7.767 -4.040 6 HG3 ARG 76 HG3 ARG 76 1.657 -8.520 -2.890 7 HD2 ARG 76 HD2 ARG 76 1.270 -9.392 -5.193 8 HD3 ARG 76 HD3 ARG 76 -0.124 -8.499 -4.588 9 HE ARG 76 HE ARG 76 1.335 -6.615 -5.921 10 HH11 ARG 76 HH11 ARG 76 0.037 -9.743 -6.804 11 HH12 ARG 76 HH12 ARG 76 -0.160 -9.335 -8.479 12 HH21 ARG 76 HH21 ARG 76 1.094 -6.072 -8.127 13 HH22 ARG 76 HH22 ARG 76 0.425 -7.233 -9.234 No H/Q in entry = 13 In of MODEL 9 1 H VAL 77 H VAL 77 3.715 -6.856 -0.700 2 HA VAL 77 HA VAL 77 5.476 -5.008 -2.173 3 HB VAL 77 HB VAL 77 5.020 -4.348 0.300 4 HG11 VAL 77 HG11 VAL 77 5.402 -6.531 1.302 5 HG12 VAL 77 HG12 VAL 77 7.073 -6.510 0.734 6 HG13 VAL 77 HG13 VAL 77 6.534 -5.332 1.932 7 HG21 VAL 77 HG21 VAL 77 6.704 -3.319 -1.165 8 HG22 VAL 77 HG22 VAL 77 7.238 -3.415 0.518 9 HG23 VAL 77 HG23 VAL 77 7.859 -4.558 -0.674 No H/Q in entry = 9 In of MODEL 9 1 H ASN 78 H ASN 78 7.315 -5.718 -2.900 2 HA ASN 78 HA ASN 78 8.220 -8.435 -2.178 3 HB2 ASN 78 HB2 ASN 78 6.956 -8.464 -4.350 4 HB3 ASN 78 HB3 ASN 78 8.152 -7.348 -5.005 5 HD21 ASN 78 HD21 ASN 78 8.920 -8.723 -6.571 6 HD22 ASN 78 HD22 ASN 78 9.810 -10.162 -6.211 No H/Q in entry = 6 In of MODEL 9 1 H HIS 79 H HIS 79 10.315 -8.717 -1.996 2 HA HIS 79 HA HIS 79 12.143 -6.714 -3.095 3 HB2 HIS 79 HB2 HIS 79 11.864 -6.441 -0.570 4 HB3 HIS 79 HB3 HIS 79 12.545 -8.048 -0.398 5 HD2 HIS 79 HD2 HIS 79 13.663 -4.423 -0.908 6 HE1 HIS 79 HE1 HIS 79 17.094 -6.891 -1.068 7 HE2 HIS 79 HE2 HIS 79 16.241 -4.509 -1.191 No H/Q in entry = 7 In of MODEL 9 1 H VAL 80 H VAL 80 14.301 -7.685 -3.502 2 HA VAL 80 HA VAL 80 14.229 -10.037 -4.915 3 HB VAL 80 HB VAL 80 16.649 -9.000 -3.420 4 HG11 VAL 80 HG11 VAL 80 16.464 -10.814 -5.832 5 HG12 VAL 80 HG12 VAL 80 17.954 -10.156 -5.156 6 HG13 VAL 80 HG13 VAL 80 16.981 -11.284 -4.213 7 HG21 VAL 80 HG21 VAL 80 15.633 -8.371 -6.192 8 HG22 VAL 80 HG22 VAL 80 15.693 -7.268 -4.816 9 HG23 VAL 80 HG23 VAL 80 17.189 -7.859 -5.539 No H/Q in entry = 9 In of MODEL 9 1 H THR 81 H THR 81 14.760 -9.650 -1.448 2 HA THR 81 HA THR 81 15.763 -12.273 -0.975 3 HB THR 81 HB THR 81 16.244 -10.711 0.732 4 HG1 THR 81 HG1 THR 81 15.958 -12.389 1.969 5 HG21 THR 81 HG21 THR 81 13.271 -10.212 1.003 6 HG22 THR 81 HG22 THR 81 14.528 -9.521 2.032 7 HG23 THR 81 HG23 THR 81 14.457 -9.098 0.322 No H/Q in entry = 7 In of MODEL 9 1 H LEU 82 H LEU 82 12.478 -10.952 -0.304 2 HA LEU 82 HA LEU 82 11.287 -13.325 0.459 3 HB2 LEU 82 HB2 LEU 82 9.946 -11.177 -1.181 4 HB3 LEU 82 HB3 LEU 82 9.150 -12.377 -0.175 5 HG LEU 82 HG LEU 82 10.993 -10.257 0.907 6 HD11 LEU 82 HD11 LEU 82 7.993 -10.307 0.738 7 HD12 LEU 82 HD12 LEU 82 8.949 -9.138 1.654 8 HD13 LEU 82 HD13 LEU 82 9.087 -9.204 -0.102 9 HD21 LEU 82 HD21 LEU 82 9.060 -12.148 2.238 10 HD22 LEU 82 HD22 LEU 82 10.820 -12.209 2.338 11 HD23 LEU 82 HD23 LEU 82 9.940 -10.856 3.053 No H/Q in entry = 11 In of MODEL 9 1 H SER 83 H SER 83 11.429 -11.930 -2.792 2 HA SER 83 HA SER 83 11.383 -12.844 -4.862 3 HB2 SER 83 HB2 SER 83 11.412 -15.551 -3.512 4 HB3 SER 83 HB3 SER 83 11.757 -15.219 -5.211 5 HG SER 83 HG SER 83 13.254 -13.763 -3.397 No H/Q in entry = 5 In of MODEL 9 1 H GLN 84 H GLN 84 9.098 -13.845 -2.452 2 HA GLN 84 HA GLN 84 7.059 -13.643 -4.534 3 HB2 GLN 84 HB2 GLN 84 5.591 -15.205 -3.283 4 HB3 GLN 84 HB3 GLN 84 7.028 -15.969 -3.938 5 HG2 GLN 84 HG2 GLN 84 7.009 -15.026 -1.108 6 HG3 GLN 84 HG3 GLN 84 6.191 -16.523 -1.543 7 HE21 GLN 84 HE21 GLN 84 8.148 -17.068 -3.685 8 HE22 GLN 84 HE22 GLN 84 9.569 -17.626 -2.877 No H/Q in entry = 8 In of MODEL 9 1 HA PRO 85 HA PRO 85 6.219 -10.169 -1.808 2 HB2 PRO 85 HB2 PRO 85 4.018 -9.229 -3.126 3 HB3 PRO 85 HB3 PRO 85 5.695 -8.847 -3.559 4 HG2 PRO 85 HG2 PRO 85 3.822 -10.828 -4.789 5 HG3 PRO 85 HG3 PRO 85 5.033 -9.788 -5.574 6 HD2 PRO 85 HD2 PRO 85 5.450 -12.469 -5.118 7 HD3 PRO 85 HD3 PRO 85 6.782 -11.260 -5.118 No H/Q in entry = 7 In of MODEL 9 1 H LYS 86 H LYS 86 4.685 -9.470 -0.360 2 HA LYS 86 HA LYS 86 2.670 -11.511 0.311 3 HB2 LYS 86 HB2 LYS 86 3.834 -9.444 2.180 4 HB3 LYS 86 HB3 LYS 86 2.886 -10.857 2.611 5 HG2 LYS 86 HG2 LYS 86 5.728 -10.759 1.631 6 HG3 LYS 86 HG3 LYS 86 5.140 -11.319 3.191 7 HD2 LYS 86 HD2 LYS 86 3.809 -12.890 1.299 8 HD3 LYS 86 HD3 LYS 86 5.473 -12.767 0.725 9 HE2 LYS 86 HE2 LYS 86 6.268 -13.488 2.946 10 HE3 LYS 86 HE3 LYS 86 4.595 -13.668 3.473 11 HZ1 LYS 86 HZ1 LYS 86 4.357 -15.252 1.529 12 HZ2 LYS 86 HZ2 LYS 86 6.053 -15.239 1.436 13 HZ3 LYS 86 HZ3 LYS 86 5.289 -15.797 2.837 No H/Q in entry = 13 In of MODEL 9 1 H ILE 87 H ILE 87 0.657 -10.809 1.133 2 HA ILE 87 HA ILE 87 -0.076 -8.069 0.351 3 HB ILE 87 HB ILE 87 -1.492 -10.604 -0.083 4 HG12 ILE 87 HG12 ILE 87 -0.938 -9.380 -2.011 5 HG13 ILE 87 HG13 ILE 87 -2.659 -9.054 -1.797 6 HG21 ILE 87 HG21 ILE 87 -3.019 -8.238 0.971 7 HG22 ILE 87 HG22 ILE 87 -3.753 -9.594 0.112 8 HG23 ILE 87 HG23 ILE 87 -2.948 -9.859 1.662 9 HD11 ILE 87 HD11 ILE 87 -0.442 -7.238 -0.930 10 HD12 ILE 87 HD12 ILE 87 -1.415 -7.059 -2.386 11 HD13 ILE 87 HD13 ILE 87 -2.170 -6.927 -0.803 No H/Q in entry = 11 In of MODEL 9 1 H VAL 88 H VAL 88 -0.809 -6.708 1.810 2 HA VAL 88 HA VAL 88 -1.642 -7.745 4.438 3 HB VAL 88 HB VAL 88 0.314 -6.316 4.645 4 HG11 VAL 88 HG11 VAL 88 -1.290 -4.200 3.257 5 HG12 VAL 88 HG12 VAL 88 0.283 -3.962 4.021 6 HG13 VAL 88 HG13 VAL 88 0.134 -5.023 2.615 7 HG21 VAL 88 HG21 VAL 88 -2.205 -4.965 5.573 8 HG22 VAL 88 HG22 VAL 88 -1.268 -6.178 6.449 9 HG23 VAL 88 HG23 VAL 88 -0.586 -4.575 6.153 No H/Q in entry = 9 In of MODEL 9 1 H LYS 89 H LYS 89 -3.781 -7.455 4.899 2 HA LYS 89 HA LYS 89 -5.229 -5.682 3.067 3 HB2 LYS 89 HB2 LYS 89 -6.349 -8.025 4.585 4 HB3 LYS 89 HB3 LYS 89 -7.143 -7.099 3.318 5 HG2 LYS 89 HG2 LYS 89 -5.849 -8.031 1.654 6 HG3 LYS 89 HG3 LYS 89 -4.583 -8.512 2.781 7 HD2 LYS 89 HD2 LYS 89 -7.352 -9.669 2.769 8 HD3 LYS 89 HD3 LYS 89 -5.983 -10.399 1.933 9 HE2 LYS 89 HE2 LYS 89 -4.822 -10.668 4.065 10 HE3 LYS 89 HE3 LYS 89 -6.158 -9.883 4.907 11 HZ1 LYS 89 HZ1 LYS 89 -7.613 -11.673 4.179 12 HZ2 LYS 89 HZ2 LYS 89 -6.316 -12.434 3.399 13 HZ3 LYS 89 HZ3 LYS 89 -6.315 -12.273 5.088 No H/Q in entry = 13 In of MODEL 9 1 H TRP 90 H TRP 90 -6.854 -4.371 3.870 2 HA TRP 90 HA TRP 90 -6.199 -3.371 6.493 3 HB2 TRP 90 HB2 TRP 90 -6.421 -1.798 4.614 4 HB3 TRP 90 HB3 TRP 90 -8.088 -2.313 4.381 5 HD1 TRP 90 HD1 TRP 90 -6.370 -1.093 7.683 6 HE1 TRP 90 HE1 TRP 90 -7.718 0.856 8.591 7 HE3 TRP 90 HE3 TRP 90 -9.823 -0.665 3.882 8 HZ2 TRP 90 HZ2 TRP 90 -9.996 2.347 7.876 9 HZ3 TRP 90 HZ3 TRP 90 -11.545 1.074 4.081 10 HH2 TRP 90 HH2 TRP 90 -11.639 2.561 6.019 No H/Q in entry = 10 In of MODEL 9 1 H ASP 91 H ASP 91 -7.348 -3.468 8.294 2 HA ASP 91 HA ASP 91 -9.390 -5.417 8.559 3 HB2 ASP 91 HB2 ASP 91 -9.453 -4.665 10.930 4 HB3 ASP 91 HB3 ASP 91 -7.815 -4.999 10.380 No H/Q in entry = 4 In of MODEL 9 1 H ARG 92 H ARG 92 -11.196 -4.931 7.390 2 HA ARG 92 HA ARG 92 -13.200 -3.491 8.652 3 HB2 ARG 92 HB2 ARG 92 -13.366 -1.408 7.618 4 HB3 ARG 92 HB3 ARG 92 -11.622 -1.619 7.621 5 HG2 ARG 92 HG2 ARG 92 -11.974 -0.901 5.471 6 HG3 ARG 92 HG3 ARG 92 -11.959 -2.654 5.248 7 HD2 ARG 92 HD2 ARG 92 -14.468 -2.590 5.385 8 HD3 ARG 92 HD3 ARG 92 -14.369 -0.820 5.350 9 HE ARG 92 HE ARG 92 -12.944 -1.608 3.185 10 HH11 ARG 92 HH11 ARG 92 -16.189 -2.216 4.352 11 HH12 ARG 92 HH12 ARG 92 -16.817 -2.556 2.766 12 HH21 ARG 92 HH21 ARG 92 -13.805 -2.077 1.097 13 HH22 ARG 92 HH22 ARG 92 -15.482 -2.500 0.956 No H/Q in entry = 13 In of MODEL 9 1 H ASP 93 H ASP 93 -11.971 -5.415 6.253 2 HA ASP 93 HA ASP 93 -14.541 -6.101 5.166 3 HB2 ASP 93 HB2 ASP 93 -13.813 -4.098 3.826 4 HB3 ASP 93 HB3 ASP 93 -12.442 -5.058 3.260 No H/Q in entry = 4 In of MODEL 9 1 HA MET 94 HA MET 94 -10.839 -8.911 4.139 2 HB2 MET 94 HB2 MET 94 -9.216 -9.730 5.990 3 HB3 MET 94 HB3 MET 94 -8.882 -8.211 5.164 4 HG2 MET 94 HG2 MET 94 -8.498 -8.162 7.631 5 HG3 MET 94 HG3 MET 94 -9.612 -6.921 7.052 6 HE1 MET 94 HE1 MET 94 -9.161 -7.908 10.113 7 HE2 MET 94 HE2 MET 94 -10.253 -6.595 9.672 8 HE3 MET 94 HE3 MET 94 -10.826 -7.912 10.695 No H/Q in entry = 8 In of MODEL 10 1 HA MET 1 HA MET 1 5.975 -7.130 5.919 2 HB2 MET 1 HB2 MET 1 3.969 -7.552 7.209 3 HB3 MET 1 HB3 MET 1 5.336 -8.411 7.891 4 HG2 MET 1 HG2 MET 1 5.509 -6.739 9.659 5 HG3 MET 1 HG3 MET 1 4.135 -5.873 8.970 6 HE1 MET 1 HE1 MET 1 2.886 -5.950 11.319 7 HE2 MET 1 HE2 MET 1 2.619 -7.435 12.233 8 HE3 MET 1 HE3 MET 1 4.254 -6.813 12.022 No H/Q in entry = 8 In of MODEL 10 1 H ILE 2 H ILE 2 3.432 -5.980 6.431 2 HA ILE 2 HA ILE 2 4.034 -3.126 6.020 3 HB ILE 2 HB ILE 2 1.840 -4.511 4.478 4 HG12 ILE 2 HG12 ILE 2 4.502 -4.062 3.159 5 HG13 ILE 2 HG13 ILE 2 4.230 -5.542 4.080 6 HG21 ILE 2 HG21 ILE 2 1.889 -2.051 4.600 7 HG22 ILE 2 HG22 ILE 2 3.475 -2.064 3.821 8 HG23 ILE 2 HG23 ILE 2 2.063 -2.663 2.956 9 HD11 ILE 2 HD11 ILE 2 2.276 -6.035 2.653 10 HD12 ILE 2 HD12 ILE 2 2.623 -4.583 1.715 11 HD13 ILE 2 HD13 ILE 2 3.778 -5.919 1.734 No H/Q in entry = 11 In of MODEL 10 1 H GLN 3 H GLN 3 2.574 -1.704 6.940 2 HA GLN 3 HA GLN 3 0.244 -2.921 8.269 3 HB2 GLN 3 HB2 GLN 3 1.949 -0.560 9.139 4 HB3 GLN 3 HB3 GLN 3 0.454 -1.059 9.929 5 HG2 GLN 3 HG2 GLN 3 2.310 -1.870 11.209 6 HG3 GLN 3 HG3 GLN 3 1.473 -3.246 10.482 7 HE21 GLN 3 HE21 GLN 3 3.751 -1.066 8.868 8 HE22 GLN 3 HE22 GLN 3 4.986 -2.251 8.619 No H/Q in entry = 8 In of MODEL 10 1 H VAL 4 H VAL 4 -1.449 -2.458 6.936 2 HA VAL 4 HA VAL 4 -1.591 0.175 5.700 3 HB VAL 4 HB VAL 4 -3.681 -0.745 4.564 4 HG11 VAL 4 HG11 VAL 4 -1.085 -2.228 4.144 5 HG12 VAL 4 HG12 VAL 4 -2.416 -2.132 2.993 6 HG13 VAL 4 HG13 VAL 4 -1.526 -0.674 3.435 7 HG21 VAL 4 HG21 VAL 4 -4.184 -2.486 6.214 8 HG22 VAL 4 HG22 VAL 4 -4.024 -3.150 4.588 9 HG23 VAL 4 HG23 VAL 4 -2.713 -3.344 5.756 No H/Q in entry = 9 In of MODEL 10 1 H TYR 5 H TYR 5 -3.344 1.522 5.804 2 HA TYR 5 HA TYR 5 -5.691 1.204 7.208 3 HB2 TYR 5 HB2 TYR 5 -5.415 2.744 9.158 4 HB3 TYR 5 HB3 TYR 5 -4.670 1.164 9.338 5 HD1 TYR 5 HD1 TYR 5 -2.447 1.079 10.131 6 HD2 TYR 5 HD2 TYR 5 -3.890 4.726 8.454 7 HE1 TYR 5 HE1 TYR 5 -0.381 2.225 10.854 8 HE2 TYR 5 HE2 TYR 5 -1.828 5.866 9.153 9 HH TYR 5 HH TYR 5 -0.065 5.469 11.039 No H/Q in entry = 9 In of MODEL 10 1 H SER 6 H SER 6 -6.544 3.551 7.928 2 HA SER 6 HA SER 6 -6.040 5.199 5.541 3 HB2 SER 6 HB2 SER 6 -8.717 4.618 6.844 4 HB3 SER 6 HB3 SER 6 -8.448 5.621 5.414 5 HG SER 6 HG SER 6 -7.404 3.568 4.578 No H/Q in entry = 5 In of MODEL 10 1 H ARG 7 H ARG 7 -6.779 7.452 5.718 2 HA ARG 7 HA ARG 7 -6.054 8.549 8.318 3 HB2 ARG 7 HB2 ARG 7 -5.556 9.334 5.725 4 HB3 ARG 7 HB3 ARG 7 -6.846 10.434 6.205 5 HG2 ARG 7 HG2 ARG 7 -4.297 10.019 7.765 6 HG3 ARG 7 HG3 ARG 7 -4.543 11.303 6.581 7 HD2 ARG 7 HD2 ARG 7 -6.322 10.903 8.974 8 HD3 ARG 7 HD3 ARG 7 -4.892 11.938 9.001 9 HE ARG 7 HE ARG 7 -6.520 12.668 6.824 10 HH11 ARG 7 HH11 ARG 7 -6.477 12.822 10.329 11 HH12 ARG 7 HH12 ARG 7 -7.468 14.250 10.401 12 HH21 ARG 7 HH21 ARG 7 -7.785 14.553 6.918 13 HH22 ARG 7 HH22 ARG 7 -8.219 15.231 8.459 No H/Q in entry = 13 In of MODEL 10 1 H HIS 8 H HIS 8 -8.892 7.678 6.769 2 HA HIS 8 HA HIS 8 -10.486 9.421 8.508 3 HB2 HIS 8 HB2 HIS 8 -10.785 9.072 5.530 4 HB3 HIS 8 HB3 HIS 8 -12.170 9.494 6.528 5 HD2 HIS 8 HD2 HIS 8 -9.570 11.234 4.520 6 HE1 HIS 8 HE1 HIS 8 -10.724 13.971 7.532 7 HE2 HIS 8 HE2 HIS 8 -9.286 13.627 5.472 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 9 HA PRO 9 -12.772 5.744 9.454 2 HB2 PRO 9 HB2 PRO 9 -15.283 7.271 9.402 3 HB3 PRO 9 HB3 PRO 9 -14.479 6.475 10.767 4 HG2 PRO 9 HG2 PRO 9 -14.579 9.179 10.519 5 HG3 PRO 9 HG3 PRO 9 -13.183 8.347 11.239 6 HD2 PRO 9 HD2 PRO 9 -13.513 9.469 8.477 7 HD3 PRO 9 HD3 PRO 9 -12.103 9.563 9.559 No H/Q in entry = 7 In of MODEL 10 1 H ALA 10 H ALA 10 -13.534 4.155 8.256 2 HA ALA 10 HA ALA 10 -13.991 4.342 5.517 3 HB1 ALA 10 HB1 ALA 10 -14.690 2.005 5.665 4 HB2 ALA 10 HB2 ALA 10 -13.249 2.305 6.636 5 HB3 ALA 10 HB3 ALA 10 -14.822 2.152 7.415 No H/Q in entry = 5 In of MODEL 10 1 H GLU 11 H GLU 11 -15.681 5.632 4.762 2 HA GLU 11 HA GLU 11 -18.377 4.827 5.705 3 HB2 GLU 11 HB2 GLU 11 -17.554 7.279 6.121 4 HB3 GLU 11 HB3 GLU 11 -17.811 7.493 4.404 5 HG2 GLU 11 HG2 GLU 11 -19.916 6.764 6.431 6 HG3 GLU 11 HG3 GLU 11 -19.677 8.332 5.678 No H/Q in entry = 6 In of MODEL 10 1 H ASN 12 H ASN 12 -18.940 3.299 4.202 2 HA ASN 12 HA ASN 12 -18.308 2.952 1.626 3 HB2 ASN 12 HB2 ASN 12 -19.735 1.387 2.713 4 HB3 ASN 12 HB3 ASN 12 -20.997 2.577 2.996 5 HD21 ASN 12 HD21 ASN 12 -22.354 3.148 1.286 6 HD22 ASN 12 HD22 ASN 12 -22.490 2.181 -0.142 No H/Q in entry = 6 In of MODEL 10 1 H GLY 13 H GLY 13 -18.125 4.365 0.033 2 HA2 GLY 13 HA2 GLY 13 -20.332 6.298 -0.455 3 HA3 GLY 13 HA3 GLY 13 -19.435 5.490 -1.732 No H/Q in entry = 3 In of MODEL 10 1 H LYS 14 H LYS 14 -17.446 6.450 0.870 2 HA LYS 14 HA LYS 14 -16.965 9.128 -0.217 3 HB2 LYS 14 HB2 LYS 14 -15.494 7.740 2.025 4 HB3 LYS 14 HB3 LYS 14 -15.431 9.442 1.631 5 HG2 LYS 14 HG2 LYS 14 -17.897 8.034 2.634 6 HG3 LYS 14 HG3 LYS 14 -16.717 8.839 3.654 7 HD2 LYS 14 HD2 LYS 14 -18.498 10.338 3.385 8 HD3 LYS 14 HD3 LYS 14 -17.166 10.966 2.420 9 HE2 LYS 14 HE2 LYS 14 -19.083 11.240 1.099 10 HE3 LYS 14 HE3 LYS 14 -18.281 9.818 0.437 11 HZ1 LYS 14 HZ1 LYS 14 -19.828 8.494 1.935 12 HZ2 LYS 14 HZ2 LYS 14 -20.691 9.935 2.152 13 HZ3 LYS 14 HZ3 LYS 14 -20.547 9.267 0.601 No H/Q in entry = 13 In of MODEL 10 1 H SER 15 H SER 15 -15.060 9.791 -1.151 2 HA SER 15 HA SER 15 -13.059 7.729 -1.653 3 HB2 SER 15 HB2 SER 15 -12.051 9.749 -3.028 4 HB3 SER 15 HB3 SER 15 -13.356 8.757 -3.683 5 HG SER 15 HG SER 15 -13.845 10.960 -3.912 No H/Q in entry = 5 In of MODEL 10 1 H ASN 16 H ASN 16 -11.021 7.874 -0.909 2 HA ASN 16 HA ASN 16 -10.135 9.997 0.835 3 HB2 ASN 16 HB2 ASN 16 -10.411 7.237 2.058 4 HB3 ASN 16 HB3 ASN 16 -9.956 8.726 2.861 5 HD21 ASN 16 HD21 ASN 16 -11.500 9.829 3.902 6 HD22 ASN 16 HD22 ASN 16 -13.196 9.500 3.804 No H/Q in entry = 6 In of MODEL 10 1 H PHE 17 H PHE 17 -8.040 8.451 2.068 2 HA PHE 17 HA PHE 17 -6.702 7.428 -0.343 3 HB2 PHE 17 HB2 PHE 17 -5.647 9.170 1.871 4 HB3 PHE 17 HB3 PHE 17 -4.565 8.220 0.851 5 HD1 PHE 17 HD1 PHE 17 -5.993 8.427 -1.728 6 HD2 PHE 17 HD2 PHE 17 -5.135 11.385 1.211 7 HE1 PHE 17 HE1 PHE 17 -6.056 10.163 -3.471 8 HE2 PHE 17 HE2 PHE 17 -5.197 13.128 -0.526 9 HZ PHE 17 HZ PHE 17 -5.658 12.521 -2.868 No H/Q in entry = 9 In of MODEL 10 1 H LEU 18 H LEU 18 -5.748 5.504 -0.273 2 HA LEU 18 HA LEU 18 -5.805 4.022 2.254 3 HB2 LEU 18 HB2 LEU 18 -6.665 2.767 0.416 4 HB3 LEU 18 HB3 LEU 18 -5.299 3.189 -0.600 5 HG LEU 18 HG LEU 18 -3.826 1.712 0.695 6 HD11 LEU 18 HD11 LEU 18 -6.276 1.139 2.367 7 HD12 LEU 18 HD12 LEU 18 -4.770 0.229 2.425 8 HD13 LEU 18 HD13 LEU 18 -4.791 1.922 2.907 9 HD21 LEU 18 HD21 LEU 18 -6.414 0.426 -0.162 10 HD22 LEU 18 HD22 LEU 18 -4.979 0.699 -1.151 11 HD23 LEU 18 HD23 LEU 18 -4.925 -0.449 0.184 No H/Q in entry = 11 In of MODEL 10 1 H ASN 19 H ASN 19 -4.083 3.849 3.492 2 HA ASN 19 HA ASN 19 -1.506 4.761 2.419 3 HB2 ASN 19 HB2 ASN 19 -2.549 4.710 5.265 4 HB3 ASN 19 HB3 ASN 19 -0.896 5.120 4.833 5 HD21 ASN 19 HD21 ASN 19 -1.052 7.176 5.676 6 HD22 ASN 19 HD22 ASN 19 -1.971 8.426 4.917 No H/Q in entry = 6 In of MODEL 10 1 H CYS 20 H CYS 20 -0.130 3.162 1.922 2 HA CYS 20 HA CYS 20 -0.056 0.787 3.664 3 HB2 CYS 20 HB2 CYS 20 -0.489 0.044 1.460 4 HB3 CYS 20 HB3 CYS 20 0.584 1.245 0.731 No H/Q in entry = 4 In of MODEL 10 1 H TYR 21 H TYR 21 1.573 0.971 5.096 2 HA TYR 21 HA TYR 21 3.840 2.726 4.420 3 HB2 TYR 21 HB2 TYR 21 3.013 3.634 6.352 4 HB3 TYR 21 HB3 TYR 21 2.408 2.111 6.942 5 HD1 TYR 21 HD1 TYR 21 5.464 4.179 6.642 6 HD2 TYR 21 HD2 TYR 21 3.583 0.880 8.563 7 HE1 TYR 21 HE1 TYR 21 7.274 4.116 8.295 8 HE2 TYR 21 HE2 TYR 21 5.401 0.803 10.211 9 HH TYR 21 HH TYR 21 7.781 1.513 10.368 No H/Q in entry = 9 In of MODEL 10 1 H VAL 22 H VAL 22 5.533 1.755 3.635 2 HA VAL 22 HA VAL 22 6.304 -0.936 4.555 3 HB VAL 22 HB VAL 22 7.136 0.592 2.056 4 HG11 VAL 22 HG11 VAL 22 8.691 -1.179 2.775 5 HG12 VAL 22 HG12 VAL 22 7.374 -2.353 2.714 6 HG13 VAL 22 HG13 VAL 22 7.913 -1.552 1.233 7 HG21 VAL 22 HG21 VAL 22 4.741 0.178 1.996 8 HG22 VAL 22 HG22 VAL 22 5.570 -0.853 0.830 9 HG23 VAL 22 HG23 VAL 22 5.000 -1.529 2.357 No H/Q in entry = 9 In of MODEL 10 1 H SER 23 H SER 23 7.932 -0.807 6.092 2 HA SER 23 HA SER 23 9.908 1.362 5.762 3 HB2 SER 23 HB2 SER 23 9.923 1.627 8.221 4 HB3 SER 23 HB3 SER 23 8.312 1.888 7.554 5 HG SER 23 HG SER 23 9.063 -0.672 8.455 No H/Q in entry = 5 In of MODEL 10 1 H GLY 24 H GLY 24 12.047 0.914 6.179 2 HA2 GLY 24 HA2 GLY 24 12.774 -1.824 7.091 3 HA3 GLY 24 HA3 GLY 24 13.796 -0.398 7.231 No H/Q in entry = 3 In of MODEL 10 1 H PHE 25 H PHE 25 12.159 -0.567 4.307 2 HA PHE 25 HA PHE 25 14.159 -2.256 3.017 3 HB2 PHE 25 HB2 PHE 25 11.514 -1.166 2.049 4 HB3 PHE 25 HB3 PHE 25 12.563 -2.237 1.124 5 HD1 PHE 25 HD1 PHE 25 10.322 -2.027 4.043 6 HD2 PHE 25 HD2 PHE 25 12.776 -4.581 1.668 7 HE1 PHE 25 HE1 PHE 25 9.333 -4.006 5.152 8 HE2 PHE 25 HE2 PHE 25 11.787 -6.559 2.765 9 HZ PHE 25 HZ PHE 25 10.057 -6.260 4.488 No H/Q in entry = 9 In of MODEL 10 1 H HIS 26 H HIS 26 15.048 -1.619 0.943 2 HA HIS 26 HA HIS 26 15.779 1.203 0.921 3 HB2 HIS 26 HB2 HIS 26 16.817 -0.752 -1.100 4 HB3 HIS 26 HB3 HIS 26 17.640 0.606 -0.334 5 HD2 HIS 26 HD2 HIS 26 17.991 -0.038 2.615 6 HE1 HIS 26 HE1 HIS 26 18.738 -4.069 1.565 7 HE2 HIS 26 HE2 HIS 26 18.744 -2.380 3.454 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 27 HA PRO 27 12.091 1.965 -1.504 2 HB2 PRO 27 HB2 PRO 27 13.874 4.249 -2.283 3 HB3 PRO 27 HB3 PRO 27 12.149 4.264 -1.885 4 HG2 PRO 27 HG2 PRO 27 13.990 4.986 -0.086 5 HG3 PRO 27 HG3 PRO 27 12.521 4.083 0.391 6 HD2 PRO 27 HD2 PRO 27 15.350 3.189 0.257 7 HD3 PRO 27 HD3 PRO 27 13.994 2.524 1.192 No H/Q in entry = 7 In of MODEL 10 1 H SER 28 H SER 28 15.274 2.259 -3.057 2 HA SER 28 HA SER 28 14.277 2.339 -5.704 3 HB2 SER 28 HB2 SER 28 16.767 1.680 -6.163 4 HB3 SER 28 HB3 SER 28 16.400 3.268 -5.468 5 HG SER 28 HG SER 28 17.646 1.050 -4.338 No H/Q in entry = 5 In of MODEL 10 1 H ASP 29 H ASP 29 15.296 -0.341 -3.637 2 HA ASP 29 HA ASP 29 15.069 -2.188 -5.910 3 HB2 ASP 29 HB2 ASP 29 16.396 -2.515 -3.215 4 HB3 ASP 29 HB3 ASP 29 16.256 -3.800 -4.412 No H/Q in entry = 4 In of MODEL 10 1 H ILE 30 H ILE 30 12.710 -1.126 -4.388 2 HA ILE 30 HA ILE 30 11.648 -3.798 -3.761 3 HB ILE 30 HB ILE 30 10.707 -3.215 -1.792 4 HG12 ILE 30 HG12 ILE 30 10.382 -0.339 -2.705 5 HG13 ILE 30 HG13 ILE 30 9.150 -1.595 -2.779 6 HG21 ILE 30 HG21 ILE 30 12.825 -1.093 -1.993 7 HG22 ILE 30 HG22 ILE 30 12.022 -1.573 -0.497 8 HG23 ILE 30 HG23 ILE 30 13.007 -2.737 -1.382 9 HD11 ILE 30 HD11 ILE 30 9.217 -1.785 -0.332 10 HD12 ILE 30 HD12 ILE 30 10.409 -0.486 -0.280 11 HD13 ILE 30 HD13 ILE 30 8.781 -0.166 -0.871 No H/Q in entry = 11 In of MODEL 10 1 H GLU 31 H GLU 31 9.344 -4.013 -3.951 2 HA GLU 31 HA GLU 31 8.106 -2.135 -5.849 3 HB2 GLU 31 HB2 GLU 31 8.173 -5.154 -5.983 4 HB3 GLU 31 HB3 GLU 31 7.029 -4.177 -6.892 5 HG2 GLU 31 HG2 GLU 31 8.756 -3.174 -8.178 6 HG3 GLU 31 HG3 GLU 31 10.013 -3.812 -7.120 No H/Q in entry = 6 In of MODEL 10 1 H VAL 32 H VAL 32 6.436 -1.279 -4.806 2 HA VAL 32 HA VAL 32 4.680 -3.055 -3.255 3 HB VAL 32 HB VAL 32 5.304 -1.909 -1.404 4 HG11 VAL 32 HG11 VAL 32 7.199 -0.907 -2.640 5 HG12 VAL 32 HG12 VAL 32 6.164 0.458 -3.054 6 HG13 VAL 32 HG13 VAL 32 6.558 0.125 -1.364 7 HG21 VAL 32 HG21 VAL 32 3.046 -1.042 -1.749 8 HG22 VAL 32 HG22 VAL 32 4.075 0.140 -0.940 9 HG23 VAL 32 HG23 VAL 32 3.703 0.323 -2.654 No H/Q in entry = 9 In of MODEL 10 1 H ASP 33 H ASP 33 2.544 -2.940 -3.716 2 HA ASP 33 HA ASP 33 1.604 -0.700 -5.379 3 HB2 ASP 33 HB2 ASP 33 0.995 -3.652 -5.921 4 HB3 ASP 33 HB3 ASP 33 0.224 -2.296 -6.728 No H/Q in entry = 4 In of MODEL 10 1 H LEU 34 H LEU 34 -0.782 -0.539 -5.334 2 HA LEU 34 HA LEU 34 -1.893 -1.527 -2.783 3 HB2 LEU 34 HB2 LEU 34 -2.380 0.984 -4.336 4 HB3 LEU 34 HB3 LEU 34 -3.675 0.346 -3.347 5 HG LEU 34 HG LEU 34 -2.121 0.438 -1.366 6 HD11 LEU 34 HD11 LEU 34 -0.370 1.994 -3.258 7 HD12 LEU 34 HD12 LEU 34 -0.162 1.884 -1.508 8 HD13 LEU 34 HD13 LEU 34 0.006 0.441 -2.503 9 HD21 LEU 34 HD21 LEU 34 -3.799 2.173 -1.799 10 HD22 LEU 34 HD22 LEU 34 -2.360 2.817 -1.009 11 HD23 LEU 34 HD23 LEU 34 -2.608 3.075 -2.738 No H/Q in entry = 11 In of MODEL 10 1 H LEU 35 H LEU 35 -3.574 -2.923 -2.853 2 HA LEU 35 HA LEU 35 -4.560 -3.660 -5.534 3 HB2 LEU 35 HB2 LEU 35 -3.987 -5.501 -3.215 4 HB3 LEU 35 HB3 LEU 35 -4.576 -5.967 -4.791 5 HG LEU 35 HG LEU 35 -1.824 -5.141 -3.971 6 HD11 LEU 35 HD11 LEU 35 -3.044 -7.387 -5.572 7 HD12 LEU 35 HD12 LEU 35 -1.314 -7.148 -5.386 8 HD13 LEU 35 HD13 LEU 35 -2.315 -7.494 -3.968 9 HD21 LEU 35 HD21 LEU 35 -2.356 -3.701 -5.898 10 HD22 LEU 35 HD22 LEU 35 -1.158 -4.932 -6.301 11 HD23 LEU 35 HD23 LEU 35 -2.828 -5.125 -6.815 No H/Q in entry = 11 In of MODEL 10 1 H LYS 36 H LYS 36 -6.470 -5.031 -5.552 2 HA LYS 36 HA LYS 36 -8.268 -4.828 -3.239 3 HB2 LYS 36 HB2 LYS 36 -9.316 -5.235 -6.019 4 HB3 LYS 36 HB3 LYS 36 -10.111 -4.474 -4.621 5 HG2 LYS 36 HG2 LYS 36 -8.671 -2.524 -4.897 6 HG3 LYS 36 HG3 LYS 36 -7.816 -3.313 -6.212 7 HD2 LYS 36 HD2 LYS 36 -9.528 -1.553 -6.925 8 HD3 LYS 36 HD3 LYS 36 -9.598 -3.103 -7.744 9 HE2 LYS 36 HE2 LYS 36 -11.552 -3.606 -6.040 10 HE3 LYS 36 HE3 LYS 36 -11.594 -1.844 -5.855 11 HZ1 LYS 36 HZ1 LYS 36 -11.814 -1.652 -8.245 12 HZ2 LYS 36 HZ2 LYS 36 -11.853 -3.335 -8.402 13 HZ3 LYS 36 HZ3 LYS 36 -13.090 -2.531 -7.568 No H/Q in entry = 13 In of MODEL 10 1 H ASN 37 H ASN 37 -8.112 -6.942 -2.379 2 HA ASN 37 HA ASN 37 -7.940 -9.244 -2.347 3 HB2 ASN 37 HB2 ASN 37 -9.714 -9.184 -4.761 4 HB3 ASN 37 HB3 ASN 37 -9.780 -10.336 -3.456 5 HD21 ASN 37 HD21 ASN 37 -10.441 -7.122 -4.539 6 HD22 ASN 37 HD22 ASN 37 -11.672 -6.733 -3.405 No H/Q in entry = 6 In of MODEL 10 1 H GLY 38 H GLY 38 -5.764 -8.211 -3.627 2 HA2 GLY 38 HA2 GLY 38 -5.021 -10.355 -5.366 3 HA3 GLY 38 HA3 GLY 38 -4.009 -8.992 -4.939 No H/Q in entry = 3 In of MODEL 10 1 H GLU 39 H GLU 39 -6.063 -7.060 -5.997 2 HA GLU 39 HA GLU 39 -5.593 -7.505 -8.861 3 HB2 GLU 39 HB2 GLU 39 -7.930 -8.095 -8.276 4 HB3 GLU 39 HB3 GLU 39 -8.151 -6.506 -7.597 5 HG2 GLU 39 HG2 GLU 39 -7.279 -6.302 -10.311 6 HG3 GLU 39 HG3 GLU 39 -8.757 -7.257 -10.188 No H/Q in entry = 6 In of MODEL 10 1 H ARG 40 H ARG 40 -4.345 -5.918 -9.585 2 HA ARG 40 HA ARG 40 -3.590 -3.723 -8.069 3 HB2 ARG 40 HB2 ARG 40 -2.462 -4.858 -10.174 4 HB3 ARG 40 HB3 ARG 40 -3.382 -3.664 -11.075 5 HG2 ARG 40 HG2 ARG 40 -2.274 -1.857 -9.957 6 HG3 ARG 40 HG3 ARG 40 -1.499 -2.978 -8.855 7 HD2 ARG 40 HD2 ARG 40 -0.904 -3.487 -11.700 8 HD3 ARG 40 HD3 ARG 40 -0.291 -1.958 -11.067 9 HE ARG 40 HE ARG 40 0.701 -3.403 -9.239 10 HH11 ARG 40 HH11 ARG 40 0.150 -4.611 -12.478 11 HH12 ARG 40 HH12 ARG 40 1.627 -5.528 -12.514 12 HH21 ARG 40 HH21 ARG 40 2.630 -4.586 -9.268 13 HH22 ARG 40 HH22 ARG 40 3.032 -5.542 -10.679 No H/Q in entry = 13 In of MODEL 10 1 H ILE 41 H ILE 41 -4.528 -1.949 -7.566 2 HA ILE 41 HA ILE 41 -7.069 -1.195 -8.377 3 HB ILE 41 HB ILE 41 -4.961 0.412 -6.938 4 HG12 ILE 41 HG12 ILE 41 -7.338 -1.159 -5.945 5 HG13 ILE 41 HG13 ILE 41 -5.665 -1.697 -5.852 6 HG21 ILE 41 HG21 ILE 41 -7.919 0.975 -7.213 7 HG22 ILE 41 HG22 ILE 41 -6.812 1.829 -6.141 8 HG23 ILE 41 HG23 ILE 41 -6.613 1.944 -7.889 9 HD11 ILE 41 HD11 ILE 41 -6.556 0.834 -4.535 10 HD12 ILE 41 HD12 ILE 41 -6.754 -0.747 -3.771 11 HD13 ILE 41 HD13 ILE 41 -5.139 -0.171 -4.205 No H/Q in entry = 11 In of MODEL 10 1 H GLU 42 H GLU 42 -4.426 1.120 -8.722 2 HA GLU 42 HA GLU 42 -3.366 1.061 -11.068 3 HB2 GLU 42 HB2 GLU 42 -6.180 1.984 -11.697 4 HB3 GLU 42 HB3 GLU 42 -4.807 2.339 -12.728 5 HG2 GLU 42 HG2 GLU 42 -4.456 -0.179 -12.865 6 HG3 GLU 42 HG3 GLU 42 -6.052 -0.320 -12.115 No H/Q in entry = 6 In of MODEL 10 1 H LYS 43 H LYS 43 -5.440 3.219 -9.154 2 HA LYS 43 HA LYS 43 -4.201 5.599 -10.229 3 HB2 LYS 43 HB2 LYS 43 -6.043 5.370 -7.846 4 HB3 LYS 43 HB3 LYS 43 -5.696 6.813 -8.780 5 HG2 LYS 43 HG2 LYS 43 -7.390 4.447 -9.574 6 HG3 LYS 43 HG3 LYS 43 -7.867 6.139 -9.406 7 HD2 LYS 43 HD2 LYS 43 -6.007 5.022 -11.505 8 HD3 LYS 43 HD3 LYS 43 -7.684 5.507 -11.752 9 HE2 LYS 43 HE2 LYS 43 -5.460 7.347 -10.852 10 HE3 LYS 43 HE3 LYS 43 -6.075 7.239 -12.502 11 HZ1 LYS 43 HZ1 LYS 43 -7.798 7.925 -10.190 12 HZ2 LYS 43 HZ2 LYS 43 -6.990 9.094 -11.106 13 HZ3 LYS 43 HZ3 LYS 43 -8.151 8.098 -11.836 No H/Q in entry = 13 In of MODEL 10 1 H VAL 44 H VAL 44 -2.034 4.418 -9.325 2 HA VAL 44 HA VAL 44 -1.602 5.611 -6.691 3 HB VAL 44 HB VAL 44 -1.594 2.806 -7.169 4 HG11 VAL 44 HG11 VAL 44 1.112 3.894 -6.486 5 HG12 VAL 44 HG12 VAL 44 0.623 2.218 -6.237 6 HG13 VAL 44 HG13 VAL 44 0.694 2.887 -7.870 7 HG21 VAL 44 HG21 VAL 44 -0.816 4.457 -4.779 8 HG22 VAL 44 HG22 VAL 44 -2.426 3.846 -5.165 9 HG23 VAL 44 HG23 VAL 44 -1.132 2.725 -4.748 No H/Q in entry = 9 In of MODEL 10 1 H GLU 45 H GLU 45 0.095 6.823 -6.564 2 HA GLU 45 HA GLU 45 2.377 6.469 -8.357 3 HB2 GLU 45 HB2 GLU 45 0.845 9.077 -8.264 4 HB3 GLU 45 HB3 GLU 45 2.375 8.830 -9.078 5 HG2 GLU 45 HG2 GLU 45 1.201 7.189 -10.589 6 HG3 GLU 45 HG3 GLU 45 -0.313 7.709 -9.844 No H/Q in entry = 6 In of MODEL 10 1 H HIS 46 H HIS 46 4.022 6.400 -6.900 2 HA HIS 46 HA HIS 46 4.701 8.877 -5.648 3 HB2 HIS 46 HB2 HIS 46 3.179 7.280 -4.042 4 HB3 HIS 46 HB3 HIS 46 4.789 6.691 -3.652 5 HD2 HIS 46 HD2 HIS 46 6.037 9.899 -3.943 6 HE1 HIS 46 HE1 HIS 46 3.694 10.301 -0.451 7 HE2 HIS 46 HE2 HIS 46 5.763 11.122 -1.678 No H/Q in entry = 7 In of MODEL 10 1 H SER 47 H SER 47 6.936 8.973 -5.256 2 HA SER 47 HA SER 47 8.557 6.586 -5.278 3 HB2 SER 47 HB2 SER 47 8.011 7.016 -7.728 4 HB3 SER 47 HB3 SER 47 8.928 8.516 -7.583 5 HG SER 47 HG SER 47 9.889 5.873 -7.162 No H/Q in entry = 5 In of MODEL 10 1 H ASP 48 H ASP 48 10.473 6.995 -4.204 2 HA ASP 48 HA ASP 48 11.326 9.779 -4.025 3 HB2 ASP 48 HB2 ASP 48 11.878 9.322 -1.547 4 HB3 ASP 48 HB3 ASP 48 10.221 9.706 -1.988 No H/Q in entry = 4 In of MODEL 10 1 H LEU 49 H LEU 49 13.386 10.117 -3.325 2 HA LEU 49 HA LEU 49 15.539 10.073 -3.985 3 HB2 LEU 49 HB2 LEU 49 17.016 8.451 -2.843 4 HB3 LEU 49 HB3 LEU 49 15.956 9.335 -1.775 5 HG LEU 49 HG LEU 49 16.380 6.988 -1.122 6 HD11 LEU 49 HD11 LEU 49 14.395 8.137 -0.310 7 HD12 LEU 49 HD12 LEU 49 13.480 7.543 -1.699 8 HD13 LEU 49 HD13 LEU 49 14.119 6.408 -0.514 9 HD21 LEU 49 HD21 LEU 49 14.835 6.289 -3.607 10 HD22 LEU 49 HD22 LEU 49 16.509 5.875 -3.239 11 HD23 LEU 49 HD23 LEU 49 15.196 5.166 -2.297 No H/Q in entry = 11 In of MODEL 10 1 H SER 50 H SER 50 17.480 8.701 -4.754 2 HA SER 50 HA SER 50 16.514 7.060 -6.998 3 HB2 SER 50 HB2 SER 50 19.065 8.669 -6.762 4 HB3 SER 50 HB3 SER 50 18.596 7.702 -8.160 5 HG SER 50 HG SER 50 17.170 9.937 -7.105 No H/Q in entry = 5 In of MODEL 10 1 H PHE 51 H PHE 51 18.800 7.262 -4.352 2 HA PHE 51 HA PHE 51 19.360 4.397 -4.666 3 HB2 PHE 51 HB2 PHE 51 21.402 6.584 -4.224 4 HB3 PHE 51 HB3 PHE 51 21.733 4.883 -3.918 5 HD1 PHE 51 HD1 PHE 51 21.357 7.468 -6.433 6 HD2 PHE 51 HD2 PHE 51 21.802 3.286 -5.777 7 HE1 PHE 51 HE1 PHE 51 21.998 7.172 -8.791 8 HE2 PHE 51 HE2 PHE 51 22.450 2.983 -8.131 9 HZ PHE 51 HZ PHE 51 22.548 4.926 -9.639 No H/Q in entry = 9 In of MODEL 10 1 H SER 52 H SER 52 19.566 3.281 -2.746 2 HA SER 52 HA SER 52 19.424 4.820 -0.266 3 HB2 SER 52 HB2 SER 52 17.101 4.332 -0.837 4 HB3 SER 52 HB3 SER 52 17.485 2.624 -1.037 5 HG SER 52 HG SER 52 16.929 4.023 1.231 No H/Q in entry = 5 In of MODEL 10 1 H LYS 53 H LYS 53 19.974 3.634 1.603 2 HA LYS 53 HA LYS 53 20.953 0.925 1.366 3 HB2 LYS 53 HB2 LYS 53 22.964 2.174 0.742 4 HB3 LYS 53 HB3 LYS 53 22.788 3.207 2.156 5 HG2 LYS 53 HG2 LYS 53 22.980 1.050 3.521 6 HG3 LYS 53 HG3 LYS 53 23.579 0.318 2.032 7 HD2 LYS 53 HD2 LYS 53 25.416 1.858 1.944 8 HD3 LYS 53 HD3 LYS 53 24.759 2.791 3.292 9 HE2 LYS 53 HE2 LYS 53 25.012 0.806 4.737 10 HE3 LYS 53 HE3 LYS 53 25.761 -0.049 3.389 11 HZ1 LYS 53 HZ1 LYS 53 27.514 1.618 3.362 12 HZ2 LYS 53 HZ2 LYS 53 26.799 2.414 4.681 13 HZ3 LYS 53 HZ3 LYS 53 27.420 0.849 4.871 No H/Q in entry = 13 In of MODEL 10 1 H ASP 54 H ASP 54 19.715 0.112 2.995 2 HA ASP 54 HA ASP 54 18.452 0.039 4.894 3 HB2 ASP 54 HB2 ASP 54 20.913 -0.537 5.474 4 HB3 ASP 54 HB3 ASP 54 20.923 1.020 6.295 No H/Q in entry = 4 In of MODEL 10 1 H TRP 55 H TRP 55 17.511 2.127 3.817 2 HA TRP 55 HA TRP 55 17.175 4.171 5.791 3 HB2 TRP 55 HB2 TRP 55 19.307 4.922 5.043 4 HB3 TRP 55 HB3 TRP 55 18.906 4.627 3.360 5 HD1 TRP 55 HD1 TRP 55 17.734 7.048 6.208 6 HE1 TRP 55 HE1 TRP 55 17.248 9.324 5.104 7 HE3 TRP 55 HE3 TRP 55 18.623 5.808 1.271 8 HZ2 TRP 55 HZ2 TRP 55 17.244 10.450 2.512 9 HZ3 TRP 55 HZ3 TRP 55 18.348 7.546 -0.427 10 HH2 TRP 55 HH2 TRP 55 17.675 9.820 0.169 No H/Q in entry = 10 In of MODEL 10 1 H SER 56 H SER 56 14.988 3.613 5.460 2 HA SER 56 HA SER 56 13.867 4.379 2.852 3 HB2 SER 56 HB2 SER 56 11.818 3.180 3.635 4 HB3 SER 56 HB3 SER 56 13.238 2.140 3.526 5 HG SER 56 HG SER 56 12.236 3.350 5.895 No H/Q in entry = 5 In of MODEL 10 1 H PHE 57 H PHE 57 14.191 5.366 6.061 2 HA PHE 57 HA PHE 57 13.070 6.615 7.527 3 HB2 PHE 57 HB2 PHE 57 12.315 8.895 6.676 4 HB3 PHE 57 HB3 PHE 57 14.011 8.487 6.529 5 HD1 PHE 57 HD1 PHE 57 14.987 8.041 4.314 6 HD2 PHE 57 HD2 PHE 57 10.959 9.336 4.767 7 HE1 PHE 57 HE1 PHE 57 14.940 8.714 1.947 8 HE2 PHE 57 HE2 PHE 57 10.902 10.003 2.401 9 HZ PHE 57 HZ PHE 57 12.892 9.688 0.988 No H/Q in entry = 9 In of MODEL 10 1 H TYR 58 H TYR 58 10.794 7.696 5.039 2 HA TYR 58 HA TYR 58 8.800 5.874 6.178 3 HB2 TYR 58 HB2 TYR 58 8.662 8.115 7.252 4 HB3 TYR 58 HB3 TYR 58 8.402 8.835 5.672 5 HD1 TYR 58 HD1 TYR 58 6.935 6.337 8.033 6 HD2 TYR 58 HD2 TYR 58 6.183 9.095 4.872 7 HE1 TYR 58 HE1 TYR 58 4.504 6.005 8.330 8 HE2 TYR 58 HE2 TYR 58 3.745 8.762 5.157 9 HH TYR 58 HH TYR 58 2.457 6.978 7.873 No H/Q in entry = 9 In of MODEL 10 1 H LEU 59 H LEU 59 8.280 4.607 4.483 2 HA LEU 59 HA LEU 59 7.962 5.791 1.809 3 HB2 LEU 59 HB2 LEU 59 8.466 3.052 2.878 4 HB3 LEU 59 HB3 LEU 59 7.567 3.182 1.387 5 HG LEU 59 HG LEU 59 10.336 4.359 1.724 6 HD11 LEU 59 HD11 LEU 59 9.503 1.648 0.690 7 HD12 LEU 59 HD12 LEU 59 11.117 2.331 0.566 8 HD13 LEU 59 HD13 LEU 59 10.435 1.969 2.148 9 HD21 LEU 59 HD21 LEU 59 8.526 3.778 -0.620 10 HD22 LEU 59 HD22 LEU 59 9.207 5.336 -0.143 11 HD23 LEU 59 HD23 LEU 59 10.251 4.082 -0.801 No H/Q in entry = 11 In of MODEL 10 1 H LEU 60 H LEU 60 5.968 6.279 1.155 2 HA LEU 60 HA LEU 60 3.723 4.531 1.832 3 HB2 LEU 60 HB2 LEU 60 3.696 6.279 3.518 4 HB3 LEU 60 HB3 LEU 60 3.869 7.515 2.289 5 HG LEU 60 HG LEU 60 1.614 6.934 1.436 6 HD11 LEU 60 HD11 LEU 60 1.560 4.616 2.206 7 HD12 LEU 60 HD12 LEU 60 1.504 5.174 3.879 8 HD13 LEU 60 HD13 LEU 60 0.164 5.524 2.785 9 HD21 LEU 60 HD21 LEU 60 1.947 8.763 3.031 10 HD22 LEU 60 HD22 LEU 60 0.388 7.973 3.255 11 HD23 LEU 60 HD23 LEU 60 1.716 7.635 4.367 No H/Q in entry = 11 In of MODEL 10 1 H TYR 61 H TYR 61 2.100 4.546 0.261 2 HA TYR 61 HA TYR 61 2.486 6.315 -2.064 3 HB2 TYR 61 HB2 TYR 61 1.692 3.368 -2.035 4 HB3 TYR 61 HB3 TYR 61 1.545 4.396 -3.469 5 HD1 TYR 61 HD1 TYR 61 3.310 4.426 -4.978 6 HD2 TYR 61 HD2 TYR 61 4.139 3.359 -0.950 7 HE1 TYR 61 HE1 TYR 61 5.625 3.921 -5.606 8 HE2 TYR 61 HE2 TYR 61 6.471 2.861 -1.574 9 HH TYR 61 HH TYR 61 7.781 2.296 -3.500 No H/Q in entry = 9 In of MODEL 10 1 H TYR 62 H TYR 62 0.363 6.721 -3.253 2 HA TYR 62 HA TYR 62 -1.895 6.414 -1.409 3 HB2 TYR 62 HB2 TYR 62 -2.628 8.764 -2.042 4 HB3 TYR 62 HB3 TYR 62 -1.292 8.608 -0.917 5 HD1 TYR 62 HD1 TYR 62 -2.178 9.462 -4.414 6 HD2 TYR 62 HD2 TYR 62 0.853 9.514 -1.427 7 HE1 TYR 62 HE1 TYR 62 -0.836 10.979 -5.809 8 HE2 TYR 62 HE2 TYR 62 2.202 11.026 -2.820 9 HH TYR 62 HH TYR 62 2.439 11.653 -5.160 No H/Q in entry = 9 In of MODEL 10 1 H THR 63 H THR 63 -3.843 5.949 -2.288 2 HA THR 63 HA THR 63 -4.327 6.521 -5.113 3 HB THR 63 HB THR 63 -3.655 4.085 -4.974 4 HG1 THR 63 HG1 THR 63 -6.396 4.423 -5.681 5 HG21 THR 63 HG21 THR 63 -6.099 3.972 -3.236 6 HG22 THR 63 HG22 THR 63 -5.565 2.575 -4.168 7 HG23 THR 63 HG23 THR 63 -4.511 3.274 -2.945 No H/Q in entry = 7 In of MODEL 10 1 H GLU 64 H GLU 64 -6.379 7.159 -5.525 2 HA GLU 64 HA GLU 64 -8.204 7.787 -3.471 3 HB2 GLU 64 HB2 GLU 64 -8.242 8.994 -5.602 4 HB3 GLU 64 HB3 GLU 64 -8.568 7.506 -6.472 5 HG2 GLU 64 HG2 GLU 64 -10.768 7.371 -5.317 6 HG3 GLU 64 HG3 GLU 64 -10.416 8.925 -4.555 No H/Q in entry = 6 In of MODEL 10 1 H PHE 65 H PHE 65 -9.930 6.617 -2.609 2 HA PHE 65 HA PHE 65 -10.658 4.118 -3.952 3 HB2 PHE 65 HB2 PHE 65 -10.597 2.842 -1.931 4 HB3 PHE 65 HB3 PHE 65 -9.074 3.684 -2.068 5 HD1 PHE 65 HD1 PHE 65 -8.203 4.210 -0.042 6 HD2 PHE 65 HD2 PHE 65 -12.395 4.618 -0.623 7 HE1 PHE 65 HE1 PHE 65 -8.458 5.056 2.270 8 HE2 PHE 65 HE2 PHE 65 -12.632 5.464 1.671 9 HZ PHE 65 HZ PHE 65 -10.683 5.676 3.119 No H/Q in entry = 9 In of MODEL 10 1 H THR 66 H THR 66 -12.803 3.367 -3.514 2 HA THR 66 HA THR 66 -14.377 4.962 -1.608 3 HB THR 66 HB THR 66 -15.369 3.994 -4.315 4 HG1 THR 66 HG1 THR 66 -14.090 6.279 -3.511 5 HG21 THR 66 HG21 THR 66 -16.686 5.634 -2.139 6 HG22 THR 66 HG22 THR 66 -17.330 5.430 -3.772 7 HG23 THR 66 HG23 THR 66 -17.164 4.032 -2.713 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 67 HA PRO 67 -14.725 0.638 -0.318 2 HB2 PRO 67 HB2 PRO 67 -16.071 1.317 2.078 3 HB3 PRO 67 HB3 PRO 67 -14.366 0.939 1.884 4 HG2 PRO 67 HG2 PRO 67 -15.487 3.465 2.518 5 HG3 PRO 67 HG3 PRO 67 -13.790 3.080 2.194 6 HD2 PRO 67 HD2 PRO 67 -15.746 4.430 0.518 7 HD3 PRO 67 HD3 PRO 67 -13.982 4.355 0.348 No H/Q in entry = 7 In of MODEL 10 1 H THR 68 H THR 68 -16.136 -0.809 -0.530 2 HA THR 68 HA THR 68 -19.010 -0.202 -0.602 3 HB THR 68 HB THR 68 -19.227 -1.694 -2.543 4 HG1 THR 68 HG1 THR 68 -16.892 -2.132 -3.474 5 HG21 THR 68 HG21 THR 68 -18.779 0.701 -2.974 6 HG22 THR 68 HG22 THR 68 -17.051 0.347 -3.031 7 HG23 THR 68 HG23 THR 68 -18.131 -0.341 -4.243 No H/Q in entry = 7 In of MODEL 10 1 H GLU 69 H GLU 69 -20.316 -2.184 -0.170 2 HA GLU 69 HA GLU 69 -19.314 -3.853 1.845 3 HB2 GLU 69 HB2 GLU 69 -21.632 -3.530 1.773 4 HB3 GLU 69 HB3 GLU 69 -21.763 -3.933 0.074 5 HG2 GLU 69 HG2 GLU 69 -22.697 -5.748 1.168 6 HG3 GLU 69 HG3 GLU 69 -21.053 -6.282 0.782 No H/Q in entry = 6 In of MODEL 10 1 H LYS 70 H LYS 70 -18.426 -3.955 -1.383 2 HA LYS 70 HA LYS 70 -18.108 -6.867 -1.333 3 HB2 LYS 70 HB2 LYS 70 -18.207 -5.045 -3.732 4 HB3 LYS 70 HB3 LYS 70 -18.008 -6.787 -3.792 5 HG2 LYS 70 HG2 LYS 70 -20.430 -5.655 -2.447 6 HG3 LYS 70 HG3 LYS 70 -20.346 -5.682 -4.207 7 HD2 LYS 70 HD2 LYS 70 -21.471 -7.658 -3.534 8 HD3 LYS 70 HD3 LYS 70 -19.857 -8.140 -4.052 9 HE2 LYS 70 HE2 LYS 70 -19.144 -8.501 -1.842 10 HE3 LYS 70 HE3 LYS 70 -20.516 -7.622 -1.168 11 HZ1 LYS 70 HZ1 LYS 70 -20.696 -10.203 -2.629 12 HZ2 LYS 70 HZ2 LYS 70 -20.714 -10.042 -0.940 13 HZ3 LYS 70 HZ3 LYS 70 -21.973 -9.387 -1.866 No H/Q in entry = 13 In of MODEL 10 1 H ASP 71 H ASP 71 -16.145 -3.927 -1.705 2 HA ASP 71 HA ASP 71 -14.049 -5.573 -2.900 3 HB2 ASP 71 HB2 ASP 71 -14.217 -2.558 -2.718 4 HB3 ASP 71 HB3 ASP 71 -13.004 -3.489 -3.569 No H/Q in entry = 4 In of MODEL 10 1 H GLU 72 H GLU 72 -12.261 -6.059 -1.912 2 HA GLU 72 HA GLU 72 -11.644 -5.214 0.838 3 HB2 GLU 72 HB2 GLU 72 -11.838 -7.582 0.402 4 HB3 GLU 72 HB3 GLU 72 -10.814 -7.486 -1.003 5 HG2 GLU 72 HG2 GLU 72 -9.639 -6.853 1.651 6 HG3 GLU 72 HG3 GLU 72 -10.019 -8.523 1.264 No H/Q in entry = 6 In of MODEL 10 1 H TYR 73 H TYR 73 -9.589 -4.250 1.300 2 HA TYR 73 HA TYR 73 -8.032 -3.398 -1.078 3 HB2 TYR 73 HB2 TYR 73 -8.623 -1.858 1.460 4 HB3 TYR 73 HB3 TYR 73 -7.398 -1.372 0.302 5 HD1 TYR 73 HD1 TYR 73 -11.022 -2.051 0.668 6 HD2 TYR 73 HD2 TYR 73 -7.980 -0.122 -1.600 7 HE1 TYR 73 HE1 TYR 73 -12.746 -0.904 -0.677 8 HE2 TYR 73 HE2 TYR 73 -9.694 1.027 -2.941 9 HH TYR 73 HH TYR 73 -13.031 1.003 -2.075 No H/Q in entry = 9 In of MODEL 10 1 H ALA 74 H ALA 74 -5.943 -3.897 -1.137 2 HA ALA 74 HA ALA 74 -4.577 -4.759 1.318 3 HB1 ALA 74 HB1 ALA 74 -5.464 -6.721 0.147 4 HB2 ALA 74 HB2 ALA 74 -4.580 -6.245 -1.304 5 HB3 ALA 74 HB3 ALA 74 -3.702 -6.702 0.160 No H/Q in entry = 5 In of MODEL 10 1 H CYS 75 H CYS 75 -2.185 -4.753 1.144 2 HA CYS 75 HA CYS 75 -1.217 -3.286 -1.229 3 HB2 CYS 75 HB2 CYS 75 -1.124 -1.740 0.602 4 HB3 CYS 75 HB3 CYS 75 -0.301 -2.915 1.617 No H/Q in entry = 4 In of MODEL 10 1 H ARG 76 H ARG 76 0.462 -4.169 -2.283 2 HA ARG 76 HA ARG 76 1.549 -6.718 -1.268 3 HB2 ARG 76 HB2 ARG 76 0.191 -6.481 -3.464 4 HB3 ARG 76 HB3 ARG 76 1.644 -5.727 -4.112 5 HG2 ARG 76 HG2 ARG 76 2.845 -7.740 -3.982 6 HG3 ARG 76 HG3 ARG 76 1.683 -8.474 -2.873 7 HD2 ARG 76 HD2 ARG 76 1.419 -9.414 -5.150 8 HD3 ARG 76 HD3 ARG 76 -0.011 -8.501 -4.660 9 HE ARG 76 HE ARG 76 1.198 -6.608 -5.975 10 HH11 ARG 76 HH11 ARG 76 1.193 -10.002 -6.810 11 HH12 ARG 76 HH12 ARG 76 1.336 -9.709 -8.519 12 HH21 ARG 76 HH21 ARG 76 1.420 -6.219 -8.214 13 HH22 ARG 76 HH22 ARG 76 1.469 -7.563 -9.317 No H/Q in entry = 13 In of MODEL 10 1 H VAL 77 H VAL 77 3.725 -6.770 -0.759 2 HA VAL 77 HA VAL 77 5.456 -4.887 -2.214 3 HB VAL 77 HB VAL 77 4.942 -4.174 0.220 4 HG11 VAL 77 HG11 VAL 77 5.299 -6.333 1.279 5 HG12 VAL 77 HG12 VAL 77 6.981 -6.327 0.745 6 HG13 VAL 77 HG13 VAL 77 6.418 -5.124 1.908 7 HG21 VAL 77 HG21 VAL 77 7.773 -4.403 -0.774 8 HG22 VAL 77 HG22 VAL 77 6.625 -3.119 -1.155 9 HG23 VAL 77 HG23 VAL 77 7.220 -3.310 0.496 No H/Q in entry = 9 In of MODEL 10 1 H ASN 78 H ASN 78 7.318 -5.572 -2.888 2 HA ASN 78 HA ASN 78 8.328 -8.203 -2.005 3 HB2 ASN 78 HB2 ASN 78 7.130 -8.332 -4.247 4 HB3 ASN 78 HB3 ASN 78 8.416 -7.309 -4.893 5 HD21 ASN 78 HD21 ASN 78 9.111 -8.927 -6.311 6 HD22 ASN 78 HD22 ASN 78 9.962 -10.330 -5.756 No H/Q in entry = 6 In of MODEL 10 1 H HIS 79 H HIS 79 10.442 -8.437 -1.828 2 HA HIS 79 HA HIS 79 12.214 -6.388 -2.924 3 HB2 HIS 79 HB2 HIS 79 11.836 -6.125 -0.378 4 HB3 HIS 79 HB3 HIS 79 12.697 -7.645 -0.218 5 HD2 HIS 79 HD2 HIS 79 13.399 -3.921 -0.608 6 HE1 HIS 79 HE1 HIS 79 17.082 -5.955 -1.035 7 HE2 HIS 79 HE2 HIS 79 15.967 -3.683 -0.918 No H/Q in entry = 7 In of MODEL 10 1 H VAL 80 H VAL 80 14.356 -7.241 -3.272 2 HA VAL 80 HA VAL 80 14.214 -9.739 -4.550 3 HB VAL 80 HB VAL 80 15.540 -8.008 -5.406 4 HG11 VAL 80 HG11 VAL 80 16.310 -6.938 -3.402 5 HG12 VAL 80 HG12 VAL 80 17.437 -8.270 -3.138 6 HG13 VAL 80 HG13 VAL 80 17.615 -7.227 -4.545 7 HG21 VAL 80 HG21 VAL 80 16.161 -10.218 -6.095 8 HG22 VAL 80 HG22 VAL 80 17.601 -9.205 -5.981 9 HG23 VAL 80 HG23 VAL 80 17.239 -10.369 -4.706 No H/Q in entry = 9 In of MODEL 10 1 H THR 81 H THR 81 14.511 -9.193 -1.338 2 HA THR 81 HA THR 81 16.136 -11.527 -0.795 3 HB THR 81 HB THR 81 16.440 -10.132 1.009 4 HG1 THR 81 HG1 THR 81 15.515 -12.052 1.874 5 HG21 THR 81 HG21 THR 81 14.857 -8.446 0.068 6 HG22 THR 81 HG22 THR 81 13.542 -9.288 0.903 7 HG23 THR 81 HG23 THR 81 14.841 -8.539 1.837 No H/Q in entry = 7 In of MODEL 10 1 H LEU 82 H LEU 82 12.747 -10.580 -0.068 2 HA LEU 82 HA LEU 82 11.718 -13.014 0.656 3 HB2 LEU 82 HB2 LEU 82 10.306 -10.963 -1.053 4 HB3 LEU 82 HB3 LEU 82 9.535 -12.230 -0.110 5 HG LEU 82 HG LEU 82 11.163 -10.009 1.117 6 HD11 LEU 82 HD11 LEU 82 8.196 -10.216 0.654 7 HD12 LEU 82 HD12 LEU 82 8.969 -9.048 1.728 8 HD13 LEU 82 HD13 LEU 82 9.308 -9.011 -0.002 9 HD21 LEU 82 HD21 LEU 82 9.213 -11.993 2.286 10 HD22 LEU 82 HD22 LEU 82 10.966 -12.016 2.490 11 HD23 LEU 82 HD23 LEU 82 10.017 -10.696 3.171 No H/Q in entry = 11 In of MODEL 10 1 H SER 83 H SER 83 11.693 -11.658 -2.613 2 HA SER 83 HA SER 83 11.723 -12.594 -4.677 3 HB2 SER 83 HB2 SER 83 13.170 -14.425 -3.717 4 HB3 SER 83 HB3 SER 83 11.695 -15.343 -3.414 5 HG SER 83 HG SER 83 11.881 -15.992 -5.398 No H/Q in entry = 5 In of MODEL 10 1 H GLN 84 H GLN 84 9.477 -13.605 -2.219 2 HA GLN 84 HA GLN 84 7.399 -13.538 -4.281 3 HB2 GLN 84 HB2 GLN 84 6.038 -15.139 -3.052 4 HB3 GLN 84 HB3 GLN 84 7.611 -15.844 -3.390 5 HG2 GLN 84 HG2 GLN 84 6.934 -14.568 -0.755 6 HG3 GLN 84 HG3 GLN 84 6.612 -16.265 -1.103 7 HE21 GLN 84 HE21 GLN 84 8.966 -16.678 -2.688 8 HE22 GLN 84 HE22 GLN 84 10.312 -16.669 -1.599 No H/Q in entry = 8 In of MODEL 10 1 HA PRO 85 HA PRO 85 6.371 -9.987 -1.701 2 HB2 PRO 85 HB2 PRO 85 4.164 -9.181 -3.072 3 HB3 PRO 85 HB3 PRO 85 5.829 -8.765 -3.521 4 HG2 PRO 85 HG2 PRO 85 4.023 -10.862 -4.662 5 HG3 PRO 85 HG3 PRO 85 5.193 -9.810 -5.494 6 HD2 PRO 85 HD2 PRO 85 5.708 -12.456 -4.912 7 HD3 PRO 85 HD3 PRO 85 6.993 -11.202 -4.997 No H/Q in entry = 7 In of MODEL 10 1 H LYS 86 H LYS 86 4.776 -9.324 -0.294 2 HA LYS 86 HA LYS 86 2.788 -11.408 0.348 3 HB2 LYS 86 HB2 LYS 86 3.786 -9.289 2.245 4 HB3 LYS 86 HB3 LYS 86 2.926 -10.771 2.636 5 HG2 LYS 86 HG2 LYS 86 5.765 -10.540 1.655 6 HG3 LYS 86 HG3 LYS 86 5.247 -10.932 3.290 7 HD2 LYS 86 HD2 LYS 86 4.289 -12.653 1.055 8 HD3 LYS 86 HD3 LYS 86 5.969 -12.808 1.567 9 HE2 LYS 86 HE2 LYS 86 4.713 -14.427 2.789 10 HE3 LYS 86 HE3 LYS 86 5.122 -13.135 3.915 11 HZ1 LYS 86 HZ1 LYS 86 2.511 -13.288 2.507 12 HZ2 LYS 86 HZ2 LYS 86 2.782 -13.962 4.037 13 HZ3 LYS 86 HZ3 LYS 86 2.926 -12.289 3.813 No H/Q in entry = 13 In of MODEL 10 1 H ILE 87 H ILE 87 0.743 -10.767 1.030 2 HA ILE 87 HA ILE 87 -0.059 -8.039 0.264 3 HB ILE 87 HB ILE 87 -1.385 -10.605 -0.236 4 HG12 ILE 87 HG12 ILE 87 -0.830 -9.313 -2.125 5 HG13 ILE 87 HG13 ILE 87 -2.571 -9.072 -1.953 6 HG21 ILE 87 HG21 ILE 87 -3.001 -8.320 0.861 7 HG22 ILE 87 HG22 ILE 87 -3.683 -9.657 -0.070 8 HG23 ILE 87 HG23 ILE 87 -2.904 -9.969 1.483 9 HD11 ILE 87 HD11 ILE 87 -0.469 -7.176 -0.982 10 HD12 ILE 87 HD12 ILE 87 -1.395 -7.017 -2.470 11 HD13 ILE 87 HD13 ILE 87 -2.216 -6.947 -0.914 No H/Q in entry = 11 In of MODEL 10 1 H VAL 88 H VAL 88 -0.879 -6.699 1.706 2 HA VAL 88 HA VAL 88 -1.722 -7.782 4.305 3 HB VAL 88 HB VAL 88 0.263 -6.370 4.537 4 HG11 VAL 88 HG11 VAL 88 -1.379 -4.246 3.209 5 HG12 VAL 88 HG12 VAL 88 0.121 -3.940 4.079 6 HG13 VAL 88 HG13 VAL 88 0.130 -4.951 2.623 7 HG21 VAL 88 HG21 VAL 88 -2.285 -5.179 5.584 8 HG22 VAL 88 HG22 VAL 88 -1.214 -6.322 6.396 9 HG23 VAL 88 HG23 VAL 88 -0.683 -4.660 6.110 No H/Q in entry = 9 In of MODEL 10 1 H LYS 89 H LYS 89 -3.850 -7.549 4.678 2 HA LYS 89 HA LYS 89 -5.276 -5.706 2.891 3 HB2 LYS 89 HB2 LYS 89 -6.442 -8.116 4.270 4 HB3 LYS 89 HB3 LYS 89 -7.167 -7.154 2.991 5 HG2 LYS 89 HG2 LYS 89 -5.820 -8.053 1.370 6 HG3 LYS 89 HG3 LYS 89 -4.586 -8.547 2.532 7 HD2 LYS 89 HD2 LYS 89 -7.343 -9.725 2.382 8 HD3 LYS 89 HD3 LYS 89 -5.935 -10.428 1.591 9 HE2 LYS 89 HE2 LYS 89 -4.862 -10.683 3.793 10 HE3 LYS 89 HE3 LYS 89 -6.297 -9.997 4.559 11 HZ1 LYS 89 HZ1 LYS 89 -7.585 -11.843 3.578 12 HZ2 LYS 89 HZ2 LYS 89 -6.139 -12.532 3.023 13 HZ3 LYS 89 HZ3 LYS 89 -6.414 -12.362 4.688 No H/Q in entry = 13 In of MODEL 10 1 H TRP 90 H TRP 90 -7.065 -4.559 3.738 2 HA TRP 90 HA TRP 90 -6.495 -3.663 6.424 3 HB2 TRP 90 HB2 TRP 90 -6.699 -2.009 4.611 4 HB3 TRP 90 HB3 TRP 90 -8.337 -2.566 4.289 5 HD1 TRP 90 HD1 TRP 90 -6.817 -1.440 7.703 6 HE1 TRP 90 HE1 TRP 90 -8.212 0.495 8.586 7 HE3 TRP 90 HE3 TRP 90 -10.085 -0.915 3.752 8 HZ2 TRP 90 HZ2 TRP 90 -10.453 2.007 7.794 9 HZ3 TRP 90 HZ3 TRP 90 -11.820 0.813 3.910 10 HH2 TRP 90 HH2 TRP 90 -12.008 2.256 5.868 No H/Q in entry = 10 In of MODEL 10 1 H ASP 91 H ASP 91 -7.766 -3.840 8.175 2 HA ASP 91 HA ASP 91 -9.769 -5.883 8.187 3 HB2 ASP 91 HB2 ASP 91 -9.892 -5.471 10.604 4 HB3 ASP 91 HB3 ASP 91 -8.220 -5.624 10.075 No H/Q in entry = 4 In of MODEL 10 1 H ARG 92 H ARG 92 -11.585 -5.357 7.097 2 HA ARG 92 HA ARG 92 -13.655 -4.088 8.373 3 HB2 ARG 92 HB2 ARG 92 -13.826 -1.890 7.612 4 HB3 ARG 92 HB3 ARG 92 -12.076 -2.065 7.695 5 HG2 ARG 92 HG2 ARG 92 -12.353 -1.058 5.646 6 HG3 ARG 92 HG3 ARG 92 -12.221 -2.764 5.200 7 HD2 ARG 92 HD2 ARG 92 -14.791 -2.789 5.261 8 HD3 ARG 92 HD3 ARG 92 -14.688 -1.020 5.290 9 HE ARG 92 HE ARG 92 -13.105 -2.018 3.191 10 HH11 ARG 92 HH11 ARG 92 -16.483 -1.636 4.100 11 HH12 ARG 92 HH12 ARG 92 -17.059 -1.835 2.473 12 HH21 ARG 92 HH21 ARG 92 -13.883 -2.292 1.072 13 HH22 ARG 92 HH22 ARG 92 -15.594 -2.224 0.769 No H/Q in entry = 13 In of MODEL 10 1 H ASP 93 H ASP 93 -12.209 -5.589 5.766 2 HA ASP 93 HA ASP 93 -14.719 -6.036 4.352 3 HB2 ASP 93 HB2 ASP 93 -13.427 -5.577 2.189 4 HB3 ASP 93 HB3 ASP 93 -14.078 -4.196 3.077 No H/Q in entry = 4 In of MODEL 10 1 HA MET 94 HA MET 94 -10.934 -8.878 3.223 2 HB2 MET 94 HB2 MET 94 -9.443 -9.942 4.967 3 HB3 MET 94 HB3 MET 94 -9.124 -8.258 4.584 4 HG2 MET 94 HG2 MET 94 -8.906 -8.675 6.983 5 HG3 MET 94 HG3 MET 94 -10.222 -7.555 6.676 6 HE1 MET 94 HE1 MET 94 -10.957 -7.954 9.199 7 HE2 MET 94 HE2 MET 94 -11.309 -9.541 9.884 8 HE3 MET 94 HE3 MET 94 -9.657 -9.120 9.435 No H/Q in entry = 8 In of MODEL 11 1 HA MET 1 HA MET 1 5.028 -8.122 6.773 2 HB2 MET 1 HB2 MET 1 5.171 -8.715 9.132 3 HB3 MET 1 HB3 MET 1 5.263 -7.018 9.583 4 HG2 MET 1 HG2 MET 1 2.989 -6.686 8.703 5 HG3 MET 1 HG3 MET 1 2.904 -8.405 8.328 6 HE1 MET 1 HE1 MET 1 0.751 -6.848 10.104 7 HE2 MET 1 HE2 MET 1 0.638 -8.569 9.735 8 HE3 MET 1 HE3 MET 1 0.488 -8.012 11.403 No H/Q in entry = 8 In of MODEL 11 1 H ILE 2 H ILE 2 3.411 -6.879 5.940 2 HA ILE 2 HA ILE 2 3.831 -3.981 5.963 3 HB ILE 2 HB ILE 2 1.653 -5.336 4.381 4 HG12 ILE 2 HG12 ILE 2 4.374 -4.990 3.150 5 HG13 ILE 2 HG13 ILE 2 3.964 -6.476 4.012 6 HG21 ILE 2 HG21 ILE 2 1.774 -2.876 4.471 7 HG22 ILE 2 HG22 ILE 2 3.371 -2.948 3.718 8 HG23 ILE 2 HG23 ILE 2 1.954 -3.518 2.841 9 HD11 ILE 2 HD11 ILE 2 2.042 -6.788 2.502 10 HD12 ILE 2 HD12 ILE 2 2.510 -5.331 1.629 11 HD13 ILE 2 HD13 ILE 2 3.576 -6.738 1.636 No H/Q in entry = 11 In of MODEL 11 1 H GLN 3 H GLN 3 2.340 -2.593 6.840 2 HA GLN 3 HA GLN 3 -0.150 -3.775 7.884 3 HB2 GLN 3 HB2 GLN 3 1.675 -1.776 9.231 4 HB3 GLN 3 HB3 GLN 3 0.017 -2.100 9.770 5 HG2 GLN 3 HG2 GLN 3 0.551 -4.380 10.304 6 HG3 GLN 3 HG3 GLN 3 2.167 -4.208 9.570 7 HE21 GLN 3 HE21 GLN 3 0.138 -3.346 12.287 8 HE22 GLN 3 HE22 GLN 3 1.429 -2.858 13.335 No H/Q in entry = 8 In of MODEL 11 1 H VAL 4 H VAL 4 -1.699 -3.005 6.594 2 HA VAL 4 HA VAL 4 -1.513 -0.287 5.571 3 HB VAL 4 HB VAL 4 -3.693 -0.936 4.356 4 HG11 VAL 4 HG11 VAL 4 -1.162 -2.486 3.802 5 HG12 VAL 4 HG12 VAL 4 -2.481 -2.232 2.659 6 HG13 VAL 4 HG13 VAL 4 -1.537 -0.859 3.234 7 HG21 VAL 4 HG21 VAL 4 -4.301 -2.801 5.803 8 HG22 VAL 4 HG22 VAL 4 -4.111 -3.332 4.132 9 HG23 VAL 4 HG23 VAL 4 -2.848 -3.670 5.314 No H/Q in entry = 9 In of MODEL 11 1 H TYR 5 H TYR 5 -3.067 1.256 5.831 2 HA TYR 5 HA TYR 5 -5.245 0.978 7.696 3 HB2 TYR 5 HB2 TYR 5 -2.776 2.569 8.387 4 HB3 TYR 5 HB3 TYR 5 -4.350 2.971 9.068 5 HD1 TYR 5 HD1 TYR 5 -1.401 1.426 9.859 6 HD2 TYR 5 HD2 TYR 5 -5.582 0.591 9.917 7 HE1 TYR 5 HE1 TYR 5 -1.034 -0.277 11.601 8 HE2 TYR 5 HE2 TYR 5 -5.218 -1.116 11.664 9 HH TYR 5 HH TYR 5 -3.422 -2.534 12.491 No H/Q in entry = 9 In of MODEL 11 1 H SER 6 H SER 6 -6.228 3.305 8.001 2 HA SER 6 HA SER 6 -5.833 4.776 5.479 3 HB2 SER 6 HB2 SER 6 -8.464 4.350 6.927 4 HB3 SER 6 HB3 SER 6 -8.224 5.243 5.424 5 HG SER 6 HG SER 6 -7.280 2.635 5.466 No H/Q in entry = 5 In of MODEL 11 1 H ARG 7 H ARG 7 -6.522 6.995 5.544 2 HA ARG 7 HA ARG 7 -5.476 8.321 7.865 3 HB2 ARG 7 HB2 ARG 7 -5.531 8.926 5.215 4 HB3 ARG 7 HB3 ARG 7 -6.853 9.931 5.796 5 HG2 ARG 7 HG2 ARG 7 -4.077 9.976 6.942 6 HG3 ARG 7 HG3 ARG 7 -4.658 11.070 5.689 7 HD2 ARG 7 HD2 ARG 7 -6.455 11.800 7.229 8 HD3 ARG 7 HD3 ARG 7 -5.743 10.785 8.483 9 HE ARG 7 HE ARG 7 -4.214 12.963 7.207 10 HH11 ARG 7 HH11 ARG 7 -5.378 11.341 10.087 11 HH12 ARG 7 HH12 ARG 7 -4.582 12.444 11.171 12 HH21 ARG 7 HH21 ARG 7 -3.137 14.353 8.598 13 HH22 ARG 7 HH22 ARG 7 -3.271 14.148 10.319 No H/Q in entry = 13 In of MODEL 11 1 H HIS 8 H HIS 8 -8.634 7.454 6.787 2 HA HIS 8 HA HIS 8 -9.874 9.299 8.727 3 HB2 HIS 8 HB2 HIS 8 -11.664 9.687 7.234 4 HB3 HIS 8 HB3 HIS 8 -10.237 9.749 6.206 5 HD2 HIS 8 HD2 HIS 8 -13.542 8.584 5.674 6 HE1 HIS 8 HE1 HIS 8 -11.248 5.309 4.308 7 HE2 HIS 8 HE2 HIS 8 -13.426 6.564 4.057 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 9 HA PRO 9 -12.293 5.600 9.968 2 HB2 PRO 9 HB2 PRO 9 -14.763 7.092 10.164 3 HB3 PRO 9 HB3 PRO 9 -13.759 6.450 11.474 4 HG2 PRO 9 HG2 PRO 9 -14.064 9.130 10.952 5 HG3 PRO 9 HG3 PRO 9 -12.620 8.442 11.717 6 HD2 PRO 9 HD2 PRO 9 -13.059 9.263 8.867 7 HD3 PRO 9 HD3 PRO 9 -11.623 9.505 9.893 No H/Q in entry = 7 In of MODEL 11 1 H ALA 10 H ALA 10 -13.111 4.096 8.647 2 HA ALA 10 HA ALA 10 -13.456 4.493 5.931 3 HB1 ALA 10 HB1 ALA 10 -14.339 2.214 5.843 4 HB2 ALA 10 HB2 ALA 10 -12.947 2.323 6.917 5 HB3 ALA 10 HB3 ALA 10 -14.573 2.236 7.591 No H/Q in entry = 5 In of MODEL 11 1 H GLU 11 H GLU 11 -15.026 5.854 5.017 2 HA GLU 11 HA GLU 11 -17.787 5.242 5.855 3 HB2 GLU 11 HB2 GLU 11 -16.461 7.785 5.218 4 HB3 GLU 11 HB3 GLU 11 -18.038 7.581 4.469 5 HG2 GLU 11 HG2 GLU 11 -17.409 7.405 7.399 6 HG3 GLU 11 HG3 GLU 11 -18.255 8.709 6.565 No H/Q in entry = 6 In of MODEL 11 1 H ASN 12 H ASN 12 -19.042 4.226 4.421 2 HA ASN 12 HA ASN 12 -18.227 3.579 1.805 3 HB2 ASN 12 HB2 ASN 12 -19.782 2.090 2.763 4 HB3 ASN 12 HB3 ASN 12 -20.849 3.376 3.317 5 HD21 ASN 12 HD21 ASN 12 -22.345 4.232 1.908 6 HD22 ASN 12 HD22 ASN 12 -22.720 3.520 0.374 No H/Q in entry = 6 In of MODEL 11 1 H GLY 13 H GLY 13 -18.028 4.904 0.145 2 HA2 GLY 13 HA2 GLY 13 -20.063 7.028 -0.238 3 HA3 GLY 13 HA3 GLY 13 -19.264 6.178 -1.546 No H/Q in entry = 3 In of MODEL 11 1 H LYS 14 H LYS 14 -17.196 7.047 1.069 2 HA LYS 14 HA LYS 14 -16.565 9.655 -0.116 3 HB2 LYS 14 HB2 LYS 14 -15.087 8.362 2.165 4 HB3 LYS 14 HB3 LYS 14 -15.209 10.067 1.787 5 HG2 LYS 14 HG2 LYS 14 -17.442 8.339 2.816 6 HG3 LYS 14 HG3 LYS 14 -16.458 9.433 3.778 7 HD2 LYS 14 HD2 LYS 14 -18.302 10.229 1.530 8 HD3 LYS 14 HD3 LYS 14 -18.630 10.388 3.263 9 HE2 LYS 14 HE2 LYS 14 -16.474 11.810 1.683 10 HE3 LYS 14 HE3 LYS 14 -17.931 12.522 2.366 11 HZ1 LYS 14 HZ1 LYS 14 -17.121 12.000 4.580 12 HZ2 LYS 14 HZ2 LYS 14 -15.718 11.305 3.934 13 HZ3 LYS 14 HZ3 LYS 14 -16.000 12.967 3.752 No H/Q in entry = 13 In of MODEL 11 1 H SER 15 H SER 15 -14.648 10.195 -1.075 2 HA SER 15 HA SER 15 -12.779 8.002 -1.558 3 HB2 SER 15 HB2 SER 15 -11.716 9.878 -3.085 4 HB3 SER 15 HB3 SER 15 -13.085 8.914 -3.635 5 HG SER 15 HG SER 15 -12.971 11.496 -3.543 No H/Q in entry = 5 In of MODEL 11 1 H ASN 16 H ASN 16 -10.645 8.146 -1.007 2 HA ASN 16 HA ASN 16 -9.696 10.215 0.762 3 HB2 ASN 16 HB2 ASN 16 -10.025 7.446 1.934 4 HB3 ASN 16 HB3 ASN 16 -9.536 8.913 2.763 5 HD21 ASN 16 HD21 ASN 16 -11.086 10.217 3.634 6 HD22 ASN 16 HD22 ASN 16 -12.776 9.842 3.602 No H/Q in entry = 6 In of MODEL 11 1 H PHE 17 H PHE 17 -7.827 8.142 2.012 2 HA PHE 17 HA PHE 17 -6.322 7.451 -0.408 3 HB2 PHE 17 HB2 PHE 17 -5.287 8.966 1.994 4 HB3 PHE 17 HB3 PHE 17 -4.234 8.196 0.810 5 HD1 PHE 17 HD1 PHE 17 -5.017 11.271 1.704 6 HD2 PHE 17 HD2 PHE 17 -5.548 8.772 -1.694 7 HE1 PHE 17 HE1 PHE 17 -5.156 13.263 0.266 8 HE2 PHE 17 HE2 PHE 17 -5.683 10.757 -3.142 9 HZ PHE 17 HZ PHE 17 -5.488 13.008 -2.162 No H/Q in entry = 9 In of MODEL 11 1 H LEU 18 H LEU 18 -5.420 5.456 -0.356 2 HA LEU 18 HA LEU 18 -5.660 3.936 2.131 3 HB2 LEU 18 HB2 LEU 18 -6.476 2.736 0.247 4 HB3 LEU 18 HB3 LEU 18 -5.053 3.117 -0.699 5 HG LEU 18 HG LEU 18 -3.692 1.582 0.632 6 HD11 LEU 18 HD11 LEU 18 -6.213 1.066 2.214 7 HD12 LEU 18 HD12 LEU 18 -4.738 0.110 2.311 8 HD13 LEU 18 HD13 LEU 18 -4.723 1.799 2.810 9 HD21 LEU 18 HD21 LEU 18 -6.288 0.366 -0.304 10 HD22 LEU 18 HD22 LEU 18 -4.841 0.642 -1.273 11 HD23 LEU 18 HD23 LEU 18 -4.812 -0.532 0.042 No H/Q in entry = 11 In of MODEL 11 1 H ASN 19 H ASN 19 -4.031 3.690 3.451 2 HA ASN 19 HA ASN 19 -1.380 4.559 2.544 3 HB2 ASN 19 HB2 ASN 19 -2.654 4.609 5.292 4 HB3 ASN 19 HB3 ASN 19 -0.969 5.022 4.985 5 HD21 ASN 19 HD21 ASN 19 -0.503 6.931 3.855 6 HD22 ASN 19 HD22 ASN 19 -1.667 8.194 3.680 No H/Q in entry = 6 In of MODEL 11 1 H CYS 20 H CYS 20 -0.051 2.915 2.130 2 HA CYS 20 HA CYS 20 -0.159 0.502 3.829 3 HB2 CYS 20 HB2 CYS 20 -0.518 -0.157 1.577 4 HB3 CYS 20 HB3 CYS 20 0.667 0.993 0.944 No H/Q in entry = 4 In of MODEL 11 1 H TYR 21 H TYR 21 1.462 0.458 5.325 2 HA TYR 21 HA TYR 21 3.869 2.050 4.851 3 HB2 TYR 21 HB2 TYR 21 3.128 0.440 7.299 4 HB3 TYR 21 HB3 TYR 21 4.459 1.565 7.173 5 HD1 TYR 21 HD1 TYR 21 3.946 4.021 6.932 6 HD2 TYR 21 HD2 TYR 21 0.972 1.153 7.907 7 HE1 TYR 21 HE1 TYR 21 2.495 5.829 7.751 8 HE2 TYR 21 HE2 TYR 21 -0.502 2.954 8.726 9 HH TYR 21 HH TYR 21 0.224 6.304 8.193 No H/Q in entry = 9 In of MODEL 11 1 H VAL 22 H VAL 22 5.780 1.216 4.297 2 HA VAL 22 HA VAL 22 6.220 -1.667 4.664 3 HB VAL 22 HB VAL 22 7.106 -0.009 2.260 4 HG11 VAL 22 HG11 VAL 22 8.653 -1.842 2.943 5 HG12 VAL 22 HG12 VAL 22 7.334 -2.994 2.705 6 HG13 VAL 22 HG13 VAL 22 7.951 -2.063 1.337 7 HG21 VAL 22 HG21 VAL 22 4.974 -2.141 2.465 8 HG22 VAL 22 HG22 VAL 22 4.728 -0.426 2.130 9 HG23 VAL 22 HG23 VAL 22 5.568 -1.442 0.958 No H/Q in entry = 9 In of MODEL 11 1 H SER 23 H SER 23 7.742 -1.653 6.276 2 HA SER 23 HA SER 23 9.780 0.472 6.193 3 HB2 SER 23 HB2 SER 23 9.576 0.621 8.671 4 HB3 SER 23 HB3 SER 23 8.076 1.027 7.840 5 HG SER 23 HG SER 23 8.463 -1.639 8.599 No H/Q in entry = 5 In of MODEL 11 1 H GLY 24 H GLY 24 11.846 -0.020 6.800 2 HA2 GLY 24 HA2 GLY 24 12.452 -2.829 7.541 3 HA3 GLY 24 HA3 GLY 24 13.503 -1.450 7.842 No H/Q in entry = 3 In of MODEL 11 1 H PHE 25 H PHE 25 12.042 -1.332 4.816 2 HA PHE 25 HA PHE 25 14.172 -2.876 3.512 3 HB2 PHE 25 HB2 PHE 25 11.543 -1.892 2.372 4 HB3 PHE 25 HB3 PHE 25 12.681 -2.988 1.591 5 HD1 PHE 25 HD1 PHE 25 12.723 -5.327 2.114 6 HD2 PHE 25 HD2 PHE 25 10.228 -2.688 4.343 7 HE1 PHE 25 HE1 PHE 25 11.578 -7.270 3.130 8 HE2 PHE 25 HE2 PHE 25 9.081 -4.625 5.363 9 HZ PHE 25 HZ PHE 25 9.750 -6.904 4.734 No H/Q in entry = 9 In of MODEL 11 1 H HIS 26 H HIS 26 15.429 -1.941 1.883 2 HA HIS 26 HA HIS 26 15.496 0.952 1.878 3 HB2 HIS 26 HB2 HIS 26 17.513 0.725 0.514 4 HB3 HIS 26 HB3 HIS 26 17.609 -0.305 1.925 5 HD2 HIS 26 HD2 HIS 26 17.591 -0.613 -1.944 6 HE1 HIS 26 HE1 HIS 26 18.008 -4.463 -0.248 7 HE2 HIS 26 HE2 HIS 26 18.288 -3.073 -2.353 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 27 HA PRO 27 12.565 1.318 -1.336 2 HB2 PRO 27 HB2 PRO 27 13.874 3.906 -1.915 3 HB3 PRO 27 HB3 PRO 27 12.210 3.588 -1.417 4 HG2 PRO 27 HG2 PRO 27 13.948 4.668 0.286 5 HG3 PRO 27 HG3 PRO 27 12.771 3.452 0.840 6 HD2 PRO 27 HD2 PRO 27 15.689 3.121 0.189 7 HD3 PRO 27 HD3 PRO 27 14.759 2.472 1.562 No H/Q in entry = 7 In of MODEL 11 1 H SER 28 H SER 28 15.654 0.626 -2.021 2 HA SER 28 HA SER 28 15.627 1.593 -4.762 3 HB2 SER 28 HB2 SER 28 17.676 1.944 -3.508 4 HB3 SER 28 HB3 SER 28 17.805 0.220 -3.176 5 HG SER 28 HG SER 28 18.824 0.055 -4.992 No H/Q in entry = 5 In of MODEL 11 1 H ASP 29 H ASP 29 15.719 -1.566 -3.025 2 HA ASP 29 HA ASP 29 15.161 -2.793 -5.665 3 HB2 ASP 29 HB2 ASP 29 16.479 -4.198 -3.327 4 HB3 ASP 29 HB3 ASP 29 16.204 -4.847 -4.936 No H/Q in entry = 4 In of MODEL 11 1 H ILE 30 H ILE 30 12.948 -1.849 -4.118 2 HA ILE 30 HA ILE 30 11.756 -4.488 -3.564 3 HB ILE 30 HB ILE 30 10.730 -3.875 -1.632 4 HG12 ILE 30 HG12 ILE 30 10.714 -0.956 -2.490 5 HG13 ILE 30 HG13 ILE 30 9.372 -2.093 -2.644 6 HG21 ILE 30 HG21 ILE 30 13.028 -1.928 -1.686 7 HG22 ILE 30 HG22 ILE 30 12.138 -2.401 -0.238 8 HG23 ILE 30 HG23 ILE 30 13.061 -3.603 -1.137 9 HD11 ILE 30 HD11 ILE 30 10.620 -1.210 -0.050 10 HD12 ILE 30 HD12 ILE 30 9.106 -0.611 -0.725 11 HD13 ILE 30 HD13 ILE 30 9.242 -2.297 -0.229 No H/Q in entry = 11 In of MODEL 11 1 H GLU 31 H GLU 31 9.425 -4.566 -3.763 2 HA GLU 31 HA GLU 31 8.319 -2.636 -5.690 3 HB2 GLU 31 HB2 GLU 31 8.220 -5.652 -5.799 4 HB3 GLU 31 HB3 GLU 31 7.111 -4.631 -6.699 5 HG2 GLU 31 HG2 GLU 31 8.895 -3.685 -7.987 6 HG3 GLU 31 HG3 GLU 31 10.114 -4.473 -6.989 No H/Q in entry = 6 In of MODEL 11 1 H VAL 32 H VAL 32 6.576 -1.717 -4.801 2 HA VAL 32 HA VAL 32 4.729 -3.385 -3.238 3 HB VAL 32 HB VAL 32 5.401 -2.326 -1.351 4 HG11 VAL 32 HG11 VAL 32 7.377 -1.410 -2.467 5 HG12 VAL 32 HG12 VAL 32 6.432 -0.013 -2.979 6 HG13 VAL 32 HG13 VAL 32 6.723 -0.303 -1.261 7 HG21 VAL 32 HG21 VAL 32 3.203 -1.341 -1.674 8 HG22 VAL 32 HG22 VAL 32 4.285 -0.211 -0.859 9 HG23 VAL 32 HG23 VAL 32 3.919 -0.003 -2.572 No H/Q in entry = 9 In of MODEL 11 1 H ASP 33 H ASP 33 2.605 -3.100 -3.699 2 HA ASP 33 HA ASP 33 1.813 -0.748 -5.269 3 HB2 ASP 33 HB2 ASP 33 1.169 -3.641 -6.020 4 HB3 ASP 33 HB3 ASP 33 0.388 -2.228 -6.731 No H/Q in entry = 4 In of MODEL 11 1 H LEU 34 H LEU 34 -0.615 -0.622 -5.388 2 HA LEU 34 HA LEU 34 -1.810 -1.604 -2.881 3 HB2 LEU 34 HB2 LEU 34 -2.108 0.973 -4.349 4 HB3 LEU 34 HB3 LEU 34 -3.514 0.350 -3.509 5 HG LEU 34 HG LEU 34 -2.162 0.295 -1.398 6 HD11 LEU 34 HD11 LEU 34 -0.143 1.785 -3.057 7 HD12 LEU 34 HD12 LEU 34 -0.111 1.624 -1.302 8 HD13 LEU 34 HD13 LEU 34 0.066 0.195 -2.317 9 HD21 LEU 34 HD21 LEU 34 -3.677 2.148 -1.925 10 HD22 LEU 34 HD22 LEU 34 -2.286 2.662 -0.969 11 HD23 LEU 34 HD23 LEU 34 -2.342 3.001 -2.700 No H/Q in entry = 11 In of MODEL 11 1 H LEU 35 H LEU 35 -3.559 -2.885 -3.012 2 HA LEU 35 HA LEU 35 -4.563 -3.503 -5.706 3 HB2 LEU 35 HB2 LEU 35 -4.076 -5.459 -3.467 4 HB3 LEU 35 HB3 LEU 35 -4.663 -5.836 -5.069 5 HG LEU 35 HG LEU 35 -1.884 -5.136 -4.189 6 HD11 LEU 35 HD11 LEU 35 -3.122 -7.302 -5.891 7 HD12 LEU 35 HD12 LEU 35 -1.404 -7.148 -5.560 8 HD13 LEU 35 HD13 LEU 35 -2.533 -7.474 -4.238 9 HD21 LEU 35 HD21 LEU 35 -2.451 -3.658 -6.131 10 HD22 LEU 35 HD22 LEU 35 -1.161 -4.816 -6.450 11 HD23 LEU 35 HD23 LEU 35 -2.784 -5.109 -7.073 No H/Q in entry = 11 In of MODEL 11 1 H LYS 36 H LYS 36 -6.512 -4.760 -5.730 2 HA LYS 36 HA LYS 36 -8.316 -4.579 -3.417 3 HB2 LYS 36 HB2 LYS 36 -9.482 -4.928 -6.133 4 HB3 LYS 36 HB3 LYS 36 -10.126 -4.013 -4.751 5 HG2 LYS 36 HG2 LYS 36 -8.599 -2.189 -5.260 6 HG3 LYS 36 HG3 LYS 36 -7.864 -3.106 -6.564 7 HD2 LYS 36 HD2 LYS 36 -9.402 -1.417 -7.442 8 HD3 LYS 36 HD3 LYS 36 -9.962 -3.047 -7.839 9 HE2 LYS 36 HE2 LYS 36 -11.800 -1.475 -7.115 10 HE3 LYS 36 HE3 LYS 36 -11.668 -2.912 -6.094 11 HZ1 LYS 36 HZ1 LYS 36 -10.453 -0.280 -5.442 12 HZ2 LYS 36 HZ2 LYS 36 -11.976 -0.782 -4.893 13 HZ3 LYS 36 HZ3 LYS 36 -10.584 -1.626 -4.423 No H/Q in entry = 13 In of MODEL 11 1 H ASN 37 H ASN 37 -8.377 -6.680 -2.672 2 HA ASN 37 HA ASN 37 -8.021 -8.957 -2.729 3 HB2 ASN 37 HB2 ASN 37 -9.940 -10.029 -4.126 4 HB3 ASN 37 HB3 ASN 37 -10.358 -8.992 -2.770 5 HD21 ASN 37 HD21 ASN 37 -10.931 -6.795 -3.253 6 HD22 ASN 37 HD22 ASN 37 -11.724 -6.401 -4.737 No H/Q in entry = 6 In of MODEL 11 1 H GLY 38 H GLY 38 -6.039 -8.049 -4.157 2 HA2 GLY 38 HA2 GLY 38 -5.587 -10.131 -6.068 3 HA3 GLY 38 HA3 GLY 38 -4.428 -8.927 -5.565 No H/Q in entry = 3 In of MODEL 11 1 H GLU 39 H GLU 39 -6.376 -6.688 -6.465 2 HA GLU 39 HA GLU 39 -5.697 -6.993 -9.314 3 HB2 GLU 39 HB2 GLU 39 -8.302 -6.333 -8.236 4 HB3 GLU 39 HB3 GLU 39 -7.666 -4.977 -9.155 5 HG2 GLU 39 HG2 GLU 39 -9.011 -6.457 -10.532 6 HG3 GLU 39 HG3 GLU 39 -7.334 -6.273 -11.045 No H/Q in entry = 6 In of MODEL 11 1 H ARG 40 H ARG 40 -4.302 -5.539 -10.046 2 HA ARG 40 HA ARG 40 -3.337 -3.509 -8.365 3 HB2 ARG 40 HB2 ARG 40 -2.283 -4.712 -10.570 4 HB3 ARG 40 HB3 ARG 40 -2.804 -3.196 -11.289 5 HG2 ARG 40 HG2 ARG 40 -1.500 -1.983 -9.571 6 HG3 ARG 40 HG3 ARG 40 -0.930 -3.532 -8.969 7 HD2 ARG 40 HD2 ARG 40 0.832 -2.985 -10.314 8 HD3 ARG 40 HD3 ARG 40 -0.155 -3.833 -11.502 9 HE ARG 40 HE ARG 40 -0.981 -1.518 -12.119 10 HH11 ARG 40 HH11 ARG 40 2.192 -2.037 -10.703 11 HH12 ARG 40 HH12 ARG 40 2.920 -0.692 -11.523 12 HH21 ARG 40 HH21 ARG 40 -0.047 0.256 -13.170 13 HH22 ARG 40 HH22 ARG 40 1.640 0.633 -12.928 No H/Q in entry = 13 In of MODEL 11 1 H ILE 41 H ILE 41 -4.326 -1.802 -7.769 2 HA ILE 41 HA ILE 41 -6.716 -0.813 -8.776 3 HB ILE 41 HB ILE 41 -4.653 0.597 -7.075 4 HG12 ILE 41 HG12 ILE 41 -7.127 -0.955 -6.290 5 HG13 ILE 41 HG13 ILE 41 -5.473 -1.540 -6.135 6 HG21 ILE 41 HG21 ILE 41 -7.568 1.261 -7.521 7 HG22 ILE 41 HG22 ILE 41 -6.534 2.010 -6.306 8 HG23 ILE 41 HG23 ILE 41 -6.185 2.233 -8.018 9 HD11 ILE 41 HD11 ILE 41 -6.383 0.948 -4.753 10 HD12 ILE 41 HD12 ILE 41 -6.621 -0.659 -4.060 11 HD13 ILE 41 HD13 ILE 41 -4.988 -0.079 -4.409 No H/Q in entry = 11 In of MODEL 11 1 H GLU 42 H GLU 42 -3.818 1.235 -8.698 2 HA GLU 42 HA GLU 42 -2.439 1.318 -10.759 3 HB2 GLU 42 HB2 GLU 42 -5.109 1.972 -12.020 4 HB3 GLU 42 HB3 GLU 42 -3.557 2.292 -12.776 5 HG2 GLU 42 HG2 GLU 42 -3.969 -0.475 -11.865 6 HG3 GLU 42 HG3 GLU 42 -4.979 0.078 -13.197 No H/Q in entry = 6 In of MODEL 11 1 H LYS 43 H LYS 43 -4.938 3.411 -9.355 2 HA LYS 43 HA LYS 43 -3.682 5.835 -10.291 3 HB2 LYS 43 HB2 LYS 43 -5.658 5.589 -8.021 4 HB3 LYS 43 HB3 LYS 43 -5.362 6.976 -9.053 5 HG2 LYS 43 HG2 LYS 43 -6.844 4.441 -9.755 6 HG3 LYS 43 HG3 LYS 43 -7.478 6.088 -9.657 7 HD2 LYS 43 HD2 LYS 43 -5.941 6.693 -11.539 8 HD3 LYS 43 HD3 LYS 43 -5.561 4.974 -11.694 9 HE2 LYS 43 HE2 LYS 43 -7.924 4.483 -12.083 10 HE3 LYS 43 HE3 LYS 43 -8.314 6.194 -11.918 11 HZ1 LYS 43 HZ1 LYS 43 -6.563 5.021 -14.013 12 HZ2 LYS 43 HZ2 LYS 43 -8.167 5.515 -14.233 13 HZ3 LYS 43 HZ3 LYS 43 -6.972 6.663 -13.863 No H/Q in entry = 13 In of MODEL 11 1 H VAL 44 H VAL 44 -1.625 4.582 -9.184 2 HA VAL 44 HA VAL 44 -1.403 5.673 -6.478 3 HB VAL 44 HB VAL 44 -1.588 2.972 -6.901 4 HG11 VAL 44 HG11 VAL 44 1.335 3.636 -6.828 5 HG12 VAL 44 HG12 VAL 44 0.661 2.036 -6.519 6 HG13 VAL 44 HG13 VAL 44 0.476 2.779 -8.108 7 HG21 VAL 44 HG21 VAL 44 -0.033 4.364 -4.740 8 HG22 VAL 44 HG22 VAL 44 -1.772 4.065 -4.762 9 HG23 VAL 44 HG23 VAL 44 -0.646 2.710 -4.662 No H/Q in entry = 9 In of MODEL 11 1 H GLU 45 H GLU 45 0.441 6.750 -6.122 2 HA GLU 45 HA GLU 45 2.660 6.412 -8.003 3 HB2 GLU 45 HB2 GLU 45 1.256 9.050 -7.522 4 HB3 GLU 45 HB3 GLU 45 2.870 8.945 -8.194 5 HG2 GLU 45 HG2 GLU 45 2.019 7.819 -10.176 6 HG3 GLU 45 HG3 GLU 45 0.395 7.762 -9.481 No H/Q in entry = 6 In of MODEL 11 1 H HIS 46 H HIS 46 4.218 5.802 -6.594 2 HA HIS 46 HA HIS 46 5.299 8.083 -5.169 3 HB2 HIS 46 HB2 HIS 46 4.344 6.719 -3.355 4 HB3 HIS 46 HB3 HIS 46 5.188 5.301 -3.965 5 HD2 HIS 46 HD2 HIS 46 6.690 8.869 -3.172 6 HE1 HIS 46 HE1 HIS 46 8.783 5.890 -1.027 7 HE2 HIS 46 HE2 HIS 46 8.713 8.346 -1.646 No H/Q in entry = 7 In of MODEL 11 1 H SER 47 H SER 47 7.206 8.419 -6.029 2 HA SER 47 HA SER 47 8.304 6.272 -7.675 3 HB2 SER 47 HB2 SER 47 7.808 8.564 -8.639 4 HB3 SER 47 HB3 SER 47 9.144 9.175 -7.662 5 HG SER 47 HG SER 47 9.626 6.933 -9.261 No H/Q in entry = 5 In of MODEL 11 1 H ASP 48 H ASP 48 10.049 5.238 -7.163 2 HA ASP 48 HA ASP 48 11.365 5.569 -4.709 3 HB2 ASP 48 HB2 ASP 48 12.938 3.874 -5.550 4 HB3 ASP 48 HB3 ASP 48 11.264 3.417 -5.848 No H/Q in entry = 4 In of MODEL 11 1 H LEU 49 H LEU 49 13.566 6.120 -4.336 2 HA LEU 49 HA LEU 49 14.046 8.677 -5.623 3 HB2 LEU 49 HB2 LEU 49 16.125 7.994 -3.716 4 HB3 LEU 49 HB3 LEU 49 15.006 9.348 -3.709 5 HG LEU 49 HG LEU 49 14.784 8.211 -1.637 6 HD11 LEU 49 HD11 LEU 49 12.456 7.478 -3.394 7 HD12 LEU 49 HD12 LEU 49 12.449 7.391 -1.633 8 HD13 LEU 49 HD13 LEU 49 12.661 8.948 -2.439 9 HD21 LEU 49 HD21 LEU 49 14.406 5.640 -3.164 10 HD22 LEU 49 HD22 LEU 49 15.804 6.096 -2.193 11 HD23 LEU 49 HD23 LEU 49 14.240 5.832 -1.419 No H/Q in entry = 11 In of MODEL 11 1 H SER 50 H SER 50 16.794 8.970 -5.365 2 HA SER 50 HA SER 50 17.595 7.621 -7.808 3 HB2 SER 50 HB2 SER 50 18.060 10.040 -7.509 4 HB3 SER 50 HB3 SER 50 19.078 9.663 -6.121 5 HG SER 50 HG SER 50 19.633 8.397 -8.557 No H/Q in entry = 5 In of MODEL 11 1 H PHE 51 H PHE 51 18.850 8.034 -4.520 2 HA PHE 51 HA PHE 51 19.511 5.280 -4.230 3 HB2 PHE 51 HB2 PHE 51 21.699 7.209 -4.889 4 HB3 PHE 51 HB3 PHE 51 22.014 5.998 -3.650 5 HD1 PHE 51 HD1 PHE 51 21.037 3.561 -4.448 6 HD2 PHE 51 HD2 PHE 51 22.488 6.668 -6.964 7 HE1 PHE 51 HE1 PHE 51 21.552 1.902 -6.190 8 HE2 PHE 51 HE2 PHE 51 23.004 5.016 -8.712 9 HZ PHE 51 HZ PHE 51 22.536 2.631 -8.328 No H/Q in entry = 9 In of MODEL 11 1 H SER 52 H SER 52 19.549 4.770 -2.111 2 HA SER 52 HA SER 52 18.848 6.894 -0.281 3 HB2 SER 52 HB2 SER 52 19.166 3.926 0.226 4 HB3 SER 52 HB3 SER 52 18.379 5.091 1.292 5 HG SER 52 HG SER 52 17.546 4.495 -1.358 No H/Q in entry = 5 In of MODEL 11 1 H LYS 53 H LYS 53 20.425 8.080 0.572 2 HA LYS 53 HA LYS 53 23.052 6.907 1.101 3 HB2 LYS 53 HB2 LYS 53 22.313 9.725 1.819 4 HB3 LYS 53 HB3 LYS 53 23.869 9.085 1.325 5 HG2 LYS 53 HG2 LYS 53 21.495 9.569 -0.460 6 HG3 LYS 53 HG3 LYS 53 22.950 10.554 -0.361 7 HD2 LYS 53 HD2 LYS 53 24.245 8.512 -1.063 8 HD3 LYS 53 HD3 LYS 53 22.692 7.737 -1.387 9 HE2 LYS 53 HE2 LYS 53 23.814 10.211 -2.692 10 HE3 LYS 53 HE3 LYS 53 23.522 8.645 -3.444 11 HZ1 LYS 53 HZ1 LYS 53 21.115 9.003 -2.946 12 HZ2 LYS 53 HZ2 LYS 53 21.492 10.588 -2.478 13 HZ3 LYS 53 HZ3 LYS 53 21.767 10.087 -4.075 No H/Q in entry = 13 In of MODEL 11 1 H ASP 54 H ASP 54 20.147 7.212 2.617 2 HA ASP 54 HA ASP 54 21.039 6.687 5.231 3 HB2 ASP 54 HB2 ASP 54 20.415 8.749 6.372 4 HB3 ASP 54 HB3 ASP 54 21.653 9.099 5.173 No H/Q in entry = 4 In of MODEL 11 1 H TRP 55 H TRP 55 18.467 8.109 3.237 2 HA TRP 55 HA TRP 55 16.198 7.903 3.282 3 HB2 TRP 55 HB2 TRP 55 16.773 5.740 2.351 4 HB3 TRP 55 HB3 TRP 55 17.062 5.074 3.950 5 HD1 TRP 55 HD1 TRP 55 13.961 6.696 2.136 6 HE1 TRP 55 HE1 TRP 55 11.902 5.274 2.829 7 HE3 TRP 55 HE3 TRP 55 16.215 3.215 5.246 8 HZ2 TRP 55 HZ2 TRP 55 11.310 3.123 4.357 9 HZ3 TRP 55 HZ3 TRP 55 14.772 1.507 6.266 10 HH2 TRP 55 HH2 TRP 55 12.368 1.451 5.834 No H/Q in entry = 10 In of MODEL 11 1 H SER 56 H SER 56 16.858 9.240 5.386 2 HA SER 56 HA SER 56 15.719 8.076 7.772 3 HB2 SER 56 HB2 SER 56 17.581 9.648 7.993 4 HB3 SER 56 HB3 SER 56 16.648 10.899 7.160 5 HG SER 56 HG SER 56 15.969 11.420 9.062 No H/Q in entry = 5 In of MODEL 11 1 H PHE 57 H PHE 57 13.791 7.584 6.291 2 HA PHE 57 HA PHE 57 11.598 8.993 7.202 3 HB2 PHE 57 HB2 PHE 57 10.644 9.885 5.109 4 HB3 PHE 57 HB3 PHE 57 12.067 10.761 5.628 5 HD1 PHE 57 HD1 PHE 57 10.528 8.785 3.012 6 HD2 PHE 57 HD2 PHE 57 14.159 10.544 4.337 7 HE1 PHE 57 HE1 PHE 57 11.433 8.655 0.725 8 HE2 PHE 57 HE2 PHE 57 15.084 10.381 2.072 9 HZ PHE 57 HZ PHE 57 13.716 9.446 0.258 No H/Q in entry = 9 In of MODEL 11 1 H TYR 58 H TYR 58 9.577 8.026 6.441 2 HA TYR 58 HA TYR 58 10.043 5.206 6.067 3 HB2 TYR 58 HB2 TYR 58 7.811 4.908 6.833 4 HB3 TYR 58 HB3 TYR 58 8.520 6.191 7.797 5 HD1 TYR 58 HD1 TYR 58 5.531 5.670 7.493 6 HD2 TYR 58 HD2 TYR 58 8.158 8.256 5.358 7 HE1 TYR 58 HE1 TYR 58 3.627 7.153 6.947 8 HE2 TYR 58 HE2 TYR 58 6.269 9.736 4.813 9 HH TYR 58 HH TYR 58 3.832 9.613 4.617 No H/Q in entry = 9 In of MODEL 11 1 H LEU 59 H LEU 59 8.532 3.897 4.695 2 HA LEU 59 HA LEU 59 8.281 5.102 2.020 3 HB2 LEU 59 HB2 LEU 59 8.717 2.365 3.102 4 HB3 LEU 59 HB3 LEU 59 7.746 2.480 1.653 5 HG LEU 59 HG LEU 59 10.520 3.649 1.827 6 HD11 LEU 59 HD11 LEU 59 9.669 0.905 0.916 7 HD12 LEU 59 HD12 LEU 59 11.258 1.616 0.645 8 HD13 LEU 59 HD13 LEU 59 10.710 1.283 2.289 9 HD21 LEU 59 HD21 LEU 59 8.582 3.018 -0.386 10 HD22 LEU 59 HD22 LEU 59 9.347 4.563 -0.008 11 HD23 LEU 59 HD23 LEU 59 10.304 3.250 -0.682 No H/Q in entry = 11 In of MODEL 11 1 H LEU 60 H LEU 60 6.328 5.734 1.432 2 HA LEU 60 HA LEU 60 4.010 4.065 2.017 3 HB2 LEU 60 HB2 LEU 60 3.961 5.735 3.739 4 HB3 LEU 60 HB3 LEU 60 4.290 7.007 2.582 5 HG LEU 60 HG LEU 60 2.061 6.630 1.571 6 HD11 LEU 60 HD11 LEU 60 1.786 4.288 2.228 7 HD12 LEU 60 HD12 LEU 60 1.635 4.787 3.911 8 HD13 LEU 60 HD13 LEU 60 0.421 5.282 2.736 9 HD21 LEU 60 HD21 LEU 60 2.078 7.224 4.527 10 HD22 LEU 60 HD22 LEU 60 2.364 8.377 3.223 11 HD23 LEU 60 HD23 LEU 60 0.778 7.631 3.407 No H/Q in entry = 11 In of MODEL 11 1 H TYR 61 H TYR 61 2.442 4.129 0.429 2 HA TYR 61 HA TYR 61 2.935 5.821 -1.944 3 HB2 TYR 61 HB2 TYR 61 1.991 2.922 -1.763 4 HB3 TYR 61 HB3 TYR 61 1.785 3.896 -3.228 5 HD1 TYR 61 HD1 TYR 61 3.365 3.574 -4.872 6 HD2 TYR 61 HD2 TYR 61 4.581 3.067 -0.827 7 HE1 TYR 61 HE1 TYR 61 5.614 2.956 -5.643 8 HE2 TYR 61 HE2 TYR 61 6.848 2.448 -1.596 9 HH TYR 61 HH TYR 61 7.950 3.002 -4.687 No H/Q in entry = 9 In of MODEL 11 1 H TYR 62 H TYR 62 0.752 6.237 -3.168 2 HA TYR 62 HA TYR 62 -1.500 6.094 -1.314 3 HB2 TYR 62 HB2 TYR 62 -2.057 8.526 -1.746 4 HB3 TYR 62 HB3 TYR 62 -0.716 8.201 -0.663 5 HD1 TYR 62 HD1 TYR 62 -1.612 9.410 -4.047 6 HD2 TYR 62 HD2 TYR 62 1.492 8.967 -1.173 7 HE1 TYR 62 HE1 TYR 62 -0.192 10.930 -5.358 8 HE2 TYR 62 HE2 TYR 62 2.927 10.475 -2.483 9 HH TYR 62 HH TYR 62 3.136 11.268 -4.792 No H/Q in entry = 9 In of MODEL 11 1 H THR 63 H THR 63 -3.465 5.873 -2.215 2 HA THR 63 HA THR 63 -3.859 6.459 -5.054 3 HB THR 63 HB THR 63 -3.176 3.964 -4.651 4 HG1 THR 63 HG1 THR 63 -4.357 5.069 -6.517 5 HG21 THR 63 HG21 THR 63 -4.751 3.546 -2.796 6 HG22 THR 63 HG22 THR 63 -6.091 3.855 -3.897 7 HG23 THR 63 HG23 THR 63 -5.031 2.474 -4.167 No H/Q in entry = 7 In of MODEL 11 1 H GLU 64 H GLU 64 -5.947 7.064 -5.530 2 HA GLU 64 HA GLU 64 -7.724 7.818 -3.464 3 HB2 GLU 64 HB2 GLU 64 -7.420 8.721 -5.929 4 HB3 GLU 64 HB3 GLU 64 -8.590 7.468 -6.312 5 HG2 GLU 64 HG2 GLU 64 -10.264 8.434 -4.954 6 HG3 GLU 64 HG3 GLU 64 -9.125 9.563 -4.220 No H/Q in entry = 6 In of MODEL 11 1 H PHE 65 H PHE 65 -9.516 6.758 -2.595 2 HA PHE 65 HA PHE 65 -10.444 4.341 -3.971 3 HB2 PHE 65 HB2 PHE 65 -10.415 3.033 -1.970 4 HB3 PHE 65 HB3 PHE 65 -8.846 3.791 -2.119 5 HD1 PHE 65 HD1 PHE 65 -7.912 4.325 -0.120 6 HD2 PHE 65 HD2 PHE 65 -12.105 4.810 -0.606 7 HE1 PHE 65 HE1 PHE 65 -8.102 5.171 2.198 8 HE2 PHE 65 HE2 PHE 65 -12.276 5.658 1.692 9 HZ PHE 65 HZ PHE 65 -10.296 5.829 3.095 No H/Q in entry = 9 In of MODEL 11 1 H THR 66 H THR 66 -12.632 3.715 -3.453 2 HA THR 66 HA THR 66 -14.024 5.351 -1.436 3 HB THR 66 HB THR 66 -15.170 4.581 -4.145 4 HG1 THR 66 HG1 THR 66 -13.692 6.711 -3.294 5 HG21 THR 66 HG21 THR 66 -16.317 6.206 -1.861 6 HG22 THR 66 HG22 THR 66 -17.015 6.114 -3.481 7 HG23 THR 66 HG23 THR 66 -16.917 4.665 -2.484 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 67 HA PRO 67 -14.710 1.020 -0.286 2 HB2 PRO 67 HB2 PRO 67 -15.938 1.699 2.164 3 HB3 PRO 67 HB3 PRO 67 -14.268 1.198 1.917 4 HG2 PRO 67 HG2 PRO 67 -15.213 3.785 2.665 5 HG3 PRO 67 HG3 PRO 67 -13.544 3.285 2.337 6 HD2 PRO 67 HD2 PRO 67 -15.356 4.861 0.712 7 HD3 PRO 67 HD3 PRO 67 -13.612 4.613 0.510 No H/Q in entry = 7 In of MODEL 11 1 H THR 68 H THR 68 -16.242 -0.302 -0.467 2 HA THR 68 HA THR 68 -19.051 0.552 -0.461 3 HB THR 68 HB THR 68 -19.477 -0.789 -2.449 4 HG1 THR 68 HG1 THR 68 -17.059 -1.468 -3.302 5 HG21 THR 68 HG21 THR 68 -18.638 1.499 -2.848 6 HG22 THR 68 HG22 THR 68 -16.996 0.859 -2.937 7 HG23 THR 68 HG23 THR 68 -18.194 0.383 -4.141 No H/Q in entry = 7 In of MODEL 11 1 H GLU 69 H GLU 69 -20.481 -1.479 -0.164 2 HA GLU 69 HA GLU 69 -19.511 -3.227 1.814 3 HB2 GLU 69 HB2 GLU 69 -21.821 -2.921 1.740 4 HB3 GLU 69 HB3 GLU 69 -21.916 -3.186 0.007 5 HG2 GLU 69 HG2 GLU 69 -22.918 -5.022 1.129 6 HG3 GLU 69 HG3 GLU 69 -21.423 -5.557 0.363 No H/Q in entry = 6 In of MODEL 11 1 H LYS 70 H LYS 70 -18.540 -3.175 -1.375 2 HA LYS 70 HA LYS 70 -18.312 -6.089 -1.515 3 HB2 LYS 70 HB2 LYS 70 -18.400 -4.061 -3.743 4 HB3 LYS 70 HB3 LYS 70 -18.043 -5.757 -3.996 5 HG2 LYS 70 HG2 LYS 70 -20.628 -4.867 -2.736 6 HG3 LYS 70 HG3 LYS 70 -20.410 -4.926 -4.482 7 HD2 LYS 70 HD2 LYS 70 -21.270 -7.012 -4.154 8 HD3 LYS 70 HD3 LYS 70 -19.562 -7.386 -3.947 9 HE2 LYS 70 HE2 LYS 70 -20.056 -6.882 -1.432 10 HE3 LYS 70 HE3 LYS 70 -21.727 -7.132 -1.901 11 HZ1 LYS 70 HZ1 LYS 70 -21.102 -9.328 -2.736 12 HZ2 LYS 70 HZ2 LYS 70 -19.511 -9.081 -2.197 13 HZ3 LYS 70 HZ3 LYS 70 -20.784 -9.159 -1.078 No H/Q in entry = 13 In of MODEL 11 1 H ASP 71 H ASP 71 -16.260 -3.178 -1.772 2 HA ASP 71 HA ASP 71 -14.232 -4.843 -3.041 3 HB2 ASP 71 HB2 ASP 71 -14.150 -1.848 -2.598 4 HB3 ASP 71 HB3 ASP 71 -13.111 -2.801 -3.642 No H/Q in entry = 4 In of MODEL 11 1 H GLU 72 H GLU 72 -12.443 -5.492 -2.111 2 HA GLU 72 HA GLU 72 -11.732 -4.764 0.657 3 HB2 GLU 72 HB2 GLU 72 -11.946 -7.165 0.030 4 HB3 GLU 72 HB3 GLU 72 -10.711 -6.949 -1.191 5 HG2 GLU 72 HG2 GLU 72 -9.085 -6.396 0.593 6 HG3 GLU 72 HG3 GLU 72 -10.336 -6.718 1.790 No H/Q in entry = 6 In of MODEL 11 1 H TYR 73 H TYR 73 -9.608 -3.955 1.104 2 HA TYR 73 HA TYR 73 -8.009 -3.256 -1.278 3 HB2 TYR 73 HB2 TYR 73 -8.402 -1.655 1.265 4 HB3 TYR 73 HB3 TYR 73 -7.199 -1.271 0.041 5 HD1 TYR 73 HD1 TYR 73 -7.782 -0.017 -1.865 6 HD2 TYR 73 HD2 TYR 73 -10.849 -1.667 0.585 7 HE1 TYR 73 HE1 TYR 73 -9.467 1.260 -3.117 8 HE2 TYR 73 HE2 TYR 73 -12.535 -0.384 -0.674 9 HH TYR 73 HH TYR 73 -12.695 1.586 -2.061 No H/Q in entry = 9 In of MODEL 11 1 H ALA 74 H ALA 74 -5.935 -3.871 -1.350 2 HA ALA 74 HA ALA 74 -4.650 -4.847 1.108 3 HB1 ALA 74 HB1 ALA 74 -5.530 -6.780 -0.051 4 HB2 ALA 74 HB2 ALA 74 -3.775 -6.756 -0.186 5 HB3 ALA 74 HB3 ALA 74 -4.773 -6.261 -1.558 No H/Q in entry = 5 In of MODEL 11 1 H CYS 75 H CYS 75 -2.270 -4.906 0.968 2 HA CYS 75 HA CYS 75 -1.201 -3.401 -1.339 3 HB2 CYS 75 HB2 CYS 75 -1.141 -1.941 0.557 4 HB3 CYS 75 HB3 CYS 75 -0.404 -3.180 1.558 No H/Q in entry = 4 In of MODEL 11 1 H ARG 76 H ARG 76 0.443 -4.345 -2.419 2 HA ARG 76 HA ARG 76 1.396 -6.964 -1.464 3 HB2 ARG 76 HB2 ARG 76 0.149 -6.590 -3.685 4 HB3 ARG 76 HB3 ARG 76 1.630 -5.829 -4.245 5 HG2 ARG 76 HG2 ARG 76 2.805 -7.876 -4.182 6 HG3 ARG 76 HG3 ARG 76 1.579 -8.647 -3.173 7 HD2 ARG 76 HD2 ARG 76 1.418 -9.449 -5.500 8 HD3 ARG 76 HD3 ARG 76 -0.024 -8.544 -5.029 9 HE ARG 76 HE ARG 76 1.962 -6.913 -6.330 10 HH11 ARG 76 HH11 ARG 76 -0.731 -9.101 -6.815 11 HH12 ARG 76 HH12 ARG 76 -1.092 -8.506 -8.409 12 HH21 ARG 76 HH21 ARG 76 1.506 -6.148 -8.457 13 HH22 ARG 76 HH22 ARG 76 0.173 -6.840 -9.333 No H/Q in entry = 13 In of MODEL 11 1 H VAL 77 H VAL 77 3.550 -7.145 -0.843 2 HA VAL 77 HA VAL 77 5.449 -5.309 -2.145 3 HB VAL 77 HB VAL 77 4.865 -4.671 0.313 4 HG11 VAL 77 HG11 VAL 77 5.149 -6.905 1.271 5 HG12 VAL 77 HG12 VAL 77 6.850 -6.885 0.804 6 HG13 VAL 77 HG13 VAL 77 6.249 -5.732 1.997 7 HG21 VAL 77 HG21 VAL 77 6.628 -3.647 -1.028 8 HG22 VAL 77 HG22 VAL 77 7.124 -3.843 0.655 9 HG23 VAL 77 HG23 VAL 77 7.727 -4.951 -0.578 No H/Q in entry = 9 In of MODEL 11 1 H ASN 78 H ASN 78 7.326 -6.063 -2.725 2 HA ASN 78 HA ASN 78 8.151 -8.776 -1.898 3 HB2 ASN 78 HB2 ASN 78 6.990 -8.791 -4.151 4 HB3 ASN 78 HB3 ASN 78 8.327 -7.817 -4.763 5 HD21 ASN 78 HD21 ASN 78 8.817 -9.489 -6.235 6 HD22 ASN 78 HD22 ASN 78 9.652 -10.916 -5.713 No H/Q in entry = 6 In of MODEL 11 1 H HIS 79 H HIS 79 10.268 -9.123 -1.662 2 HA HIS 79 HA HIS 79 12.168 -7.032 -2.435 3 HB2 HIS 79 HB2 HIS 79 11.493 -6.721 -0.016 4 HB3 HIS 79 HB3 HIS 79 12.153 -8.309 0.316 5 HD2 HIS 79 HD2 HIS 79 13.340 -4.679 -0.306 6 HE1 HIS 79 HE1 HIS 79 16.702 -7.073 0.615 7 HE2 HIS 79 HE2 HIS 79 15.837 -4.705 0.382 No H/Q in entry = 7 In of MODEL 11 1 H VAL 80 H VAL 80 14.451 -7.876 -2.268 2 HA VAL 80 HA VAL 80 14.795 -10.183 -3.746 3 HB VAL 80 HB VAL 80 16.806 -9.042 -1.794 4 HG11 VAL 80 HG11 VAL 80 17.199 -10.809 -4.211 5 HG12 VAL 80 HG12 VAL 80 18.488 -10.085 -3.248 6 HG13 VAL 80 HG13 VAL 80 17.414 -11.284 -2.525 7 HG21 VAL 80 HG21 VAL 80 16.332 -8.421 -4.706 8 HG22 VAL 80 HG22 VAL 80 16.053 -7.341 -3.342 9 HG23 VAL 80 HG23 VAL 80 17.695 -7.838 -3.750 No H/Q in entry = 9 In of MODEL 11 1 H THR 81 H THR 81 14.735 -9.864 -0.208 2 HA THR 81 HA THR 81 15.719 -12.491 0.306 3 HB THR 81 HB THR 81 15.885 -11.014 2.143 4 HG1 THR 81 HG1 THR 81 13.688 -12.324 3.194 5 HG21 THR 81 HG21 THR 81 12.906 -10.532 1.903 6 HG22 THR 81 HG22 THR 81 13.932 -9.912 3.196 7 HG23 THR 81 HG23 THR 81 14.187 -9.379 1.535 No H/Q in entry = 7 In of MODEL 11 1 H LEU 82 H LEU 82 12.364 -11.214 0.411 2 HA LEU 82 HA LEU 82 11.079 -13.637 0.826 3 HB2 LEU 82 HB2 LEU 82 9.950 -11.524 -0.995 4 HB3 LEU 82 HB3 LEU 82 9.085 -12.642 0.048 5 HG LEU 82 HG LEU 82 10.795 -10.374 1.051 6 HD11 LEU 82 HD11 LEU 82 7.817 -10.602 0.760 7 HD12 LEU 82 HD12 LEU 82 8.670 -9.309 1.608 8 HD13 LEU 82 HD13 LEU 82 8.894 -9.521 -0.127 9 HD21 LEU 82 HD21 LEU 82 10.625 -12.255 2.610 10 HD22 LEU 82 HD22 LEU 82 9.730 -10.853 3.198 11 HD23 LEU 82 HD23 LEU 82 8.870 -12.208 2.469 No H/Q in entry = 11 In of MODEL 11 1 H SER 83 H SER 83 10.361 -15.281 -0.454 2 HA SER 83 HA SER 83 11.244 -15.308 -3.270 3 HB2 SER 83 HB2 SER 83 11.939 -17.168 -1.747 4 HB3 SER 83 HB3 SER 83 10.241 -17.589 -1.539 5 HG SER 83 HG SER 83 10.804 -17.395 -4.158 No H/Q in entry = 5 In of MODEL 11 1 H GLN 84 H GLN 84 8.757 -14.126 -1.758 2 HA GLN 84 HA GLN 84 6.865 -14.444 -3.813 3 HB2 GLN 84 HB2 GLN 84 5.090 -15.632 -2.601 4 HB3 GLN 84 HB3 GLN 84 6.517 -16.651 -2.708 5 HG2 GLN 84 HG2 GLN 84 7.072 -16.114 -0.385 6 HG3 GLN 84 HG3 GLN 84 5.672 -15.048 -0.294 7 HE21 GLN 84 HE21 GLN 84 3.586 -15.963 -0.356 8 HE22 GLN 84 HE22 GLN 84 3.325 -17.618 0.079 No H/Q in entry = 8 In of MODEL 11 1 HA PRO 85 HA PRO 85 6.058 -10.565 -1.592 2 HB2 PRO 85 HB2 PRO 85 3.987 -9.697 -3.144 3 HB3 PRO 85 HB3 PRO 85 5.701 -9.420 -3.504 4 HG2 PRO 85 HG2 PRO 85 3.811 -11.427 -4.659 5 HG3 PRO 85 HG3 PRO 85 5.137 -10.542 -5.448 6 HD2 PRO 85 HD2 PRO 85 5.352 -13.190 -4.669 7 HD3 PRO 85 HD3 PRO 85 6.754 -12.076 -4.746 No H/Q in entry = 7 In of MODEL 11 1 H LYS 86 H LYS 86 4.404 -9.704 -0.327 2 HA LYS 86 HA LYS 86 2.300 -11.662 0.319 3 HB2 LYS 86 HB2 LYS 86 3.348 -9.456 2.110 4 HB3 LYS 86 HB3 LYS 86 2.232 -10.738 2.557 5 HG2 LYS 86 HG2 LYS 86 3.980 -12.380 2.511 6 HG3 LYS 86 HG3 LYS 86 5.074 -11.249 1.705 7 HD2 LYS 86 HD2 LYS 86 5.569 -10.147 3.659 8 HD3 LYS 86 HD3 LYS 86 4.004 -10.491 4.394 9 HE2 LYS 86 HE2 LYS 86 4.700 -12.855 4.676 10 HE3 LYS 86 HE3 LYS 86 6.289 -12.442 4.036 11 HZ1 LYS 86 HZ1 LYS 86 6.520 -10.841 5.879 12 HZ2 LYS 86 HZ2 LYS 86 5.049 -11.385 6.518 13 HZ3 LYS 86 HZ3 LYS 86 6.366 -12.444 6.411 No H/Q in entry = 13 In of MODEL 11 1 H ILE 87 H ILE 87 0.261 -11.011 0.718 2 HA ILE 87 HA ILE 87 -0.419 -8.250 -0.028 3 HB ILE 87 HB ILE 87 -1.819 -10.764 -0.620 4 HG12 ILE 87 HG12 ILE 87 -1.221 -9.527 -2.504 5 HG13 ILE 87 HG13 ILE 87 -2.919 -9.080 -2.291 6 HG21 ILE 87 HG21 ILE 87 -3.339 -8.442 0.524 7 HG22 ILE 87 HG22 ILE 87 -4.079 -9.632 -0.550 8 HG23 ILE 87 HG23 ILE 87 -3.411 -10.140 1.006 9 HD11 ILE 87 HD11 ILE 87 -0.588 -7.464 -1.322 10 HD12 ILE 87 HD12 ILE 87 -1.503 -7.162 -2.796 11 HD13 ILE 87 HD13 ILE 87 -2.292 -7.027 -1.225 No H/Q in entry = 11 In of MODEL 11 1 H VAL 88 H VAL 88 -1.132 -6.940 1.472 2 HA VAL 88 HA VAL 88 -2.071 -8.084 4.010 3 HB VAL 88 HB VAL 88 -0.064 -6.795 4.352 4 HG11 VAL 88 HG11 VAL 88 -1.477 -4.528 2.998 5 HG12 VAL 88 HG12 VAL 88 0.064 -4.403 3.846 6 HG13 VAL 88 HG13 VAL 88 -0.065 -5.398 2.391 7 HG21 VAL 88 HG21 VAL 88 -2.545 -5.384 5.273 8 HG22 VAL 88 HG22 VAL 88 -1.623 -6.619 6.134 9 HG23 VAL 88 HG23 VAL 88 -0.929 -5.015 5.878 No H/Q in entry = 9 In of MODEL 11 1 H LYS 89 H LYS 89 -4.178 -7.751 4.408 2 HA LYS 89 HA LYS 89 -5.520 -5.860 2.628 3 HB2 LYS 89 HB2 LYS 89 -6.698 -8.225 4.094 4 HB3 LYS 89 HB3 LYS 89 -7.514 -7.208 2.910 5 HG2 LYS 89 HG2 LYS 89 -6.281 -8.070 1.124 6 HG3 LYS 89 HG3 LYS 89 -5.019 -8.669 2.198 7 HD2 LYS 89 HD2 LYS 89 -7.800 -9.734 2.374 8 HD3 LYS 89 HD3 LYS 89 -6.659 -10.363 1.183 9 HE2 LYS 89 HE2 LYS 89 -5.974 -10.162 4.096 10 HE3 LYS 89 HE3 LYS 89 -6.797 -11.576 3.429 11 HZ1 LYS 89 HZ1 LYS 89 -4.886 -11.692 1.804 12 HZ2 LYS 89 HZ2 LYS 89 -4.090 -10.565 2.793 13 HZ3 LYS 89 HZ3 LYS 89 -4.521 -12.079 3.414 No H/Q in entry = 13 In of MODEL 11 1 H TRP 90 H TRP 90 -7.131 -4.520 3.499 2 HA TRP 90 HA TRP 90 -6.468 -3.734 6.202 3 HB2 TRP 90 HB2 TRP 90 -6.558 -1.974 4.500 4 HB3 TRP 90 HB3 TRP 90 -8.220 -2.413 4.126 5 HD1 TRP 90 HD1 TRP 90 -6.641 -1.595 7.610 6 HE1 TRP 90 HE1 TRP 90 -8.006 0.256 8.672 7 HE3 TRP 90 HE3 TRP 90 -9.936 -0.719 3.749 8 HZ2 TRP 90 HZ2 TRP 90 -10.238 1.858 8.026 9 HZ3 TRP 90 HZ3 TRP 90 -11.651 1.011 4.063 10 HH2 TRP 90 HH2 TRP 90 -11.803 2.292 6.142 No H/Q in entry = 10 In of MODEL 11 1 H ASP 91 H ASP 91 -7.633 -4.073 7.939 2 HA ASP 91 HA ASP 91 -9.767 -5.913 7.962 3 HB2 ASP 91 HB2 ASP 91 -8.772 -4.011 10.089 4 HB3 ASP 91 HB3 ASP 91 -9.991 -5.251 10.372 No H/Q in entry = 4 In of MODEL 11 1 H ARG 92 H ARG 92 -11.530 -5.284 6.804 2 HA ARG 92 HA ARG 92 -13.385 -3.575 8.104 3 HB2 ARG 92 HB2 ARG 92 -13.393 -1.648 6.803 4 HB3 ARG 92 HB3 ARG 92 -11.697 -2.083 6.634 5 HG2 ARG 92 HG2 ARG 92 -12.298 -1.611 4.449 6 HG3 ARG 92 HG3 ARG 92 -12.442 -3.373 4.497 7 HD2 ARG 92 HD2 ARG 92 -14.913 -2.999 5.009 8 HD3 ARG 92 HD3 ARG 92 -14.654 -1.308 4.547 9 HE ARG 92 HE ARG 92 -13.738 -2.581 2.402 10 HH11 ARG 92 HH11 ARG 92 -16.623 -3.071 4.319 11 HH12 ARG 92 HH12 ARG 92 -17.510 -3.828 3.039 12 HH21 ARG 92 HH21 ARG 92 -14.890 -3.629 0.708 13 HH22 ARG 92 HH22 ARG 92 -16.526 -4.141 0.983 No H/Q in entry = 13 In of MODEL 11 1 H ASP 93 H ASP 93 -12.482 -5.938 6.025 2 HA ASP 93 HA ASP 93 -15.075 -6.682 5.130 3 HB2 ASP 93 HB2 ASP 93 -14.555 -4.914 3.512 4 HB3 ASP 93 HB3 ASP 93 -13.052 -5.743 3.092 No H/Q in entry = 4 In of MODEL 11 1 HA MET 94 HA MET 94 -11.733 -9.788 4.312 2 HB2 MET 94 HB2 MET 94 -9.401 -9.943 5.175 3 HB3 MET 94 HB3 MET 94 -9.706 -8.454 4.282 4 HG2 MET 94 HG2 MET 94 -9.821 -7.160 6.292 5 HG3 MET 94 HG3 MET 94 -9.829 -8.620 7.285 6 HE1 MET 94 HE1 MET 94 -7.767 -10.151 7.721 7 HE2 MET 94 HE2 MET 94 -7.607 -10.442 5.988 8 HE3 MET 94 HE3 MET 94 -6.201 -9.955 6.934 No H/Q in entry = 8 In of MODEL 12 1 HA MET 1 HA MET 1 4.775 -8.241 6.748 2 HB2 MET 1 HB2 MET 1 4.795 -9.055 9.088 3 HB3 MET 1 HB3 MET 1 4.797 -7.388 9.653 4 HG2 MET 1 HG2 MET 1 2.622 -7.067 8.476 5 HG3 MET 1 HG3 MET 1 2.615 -8.796 8.131 6 HE1 MET 1 HE1 MET 1 2.352 -6.007 10.841 7 HE2 MET 1 HE2 MET 1 2.323 -6.930 12.344 8 HE3 MET 1 HE3 MET 1 3.800 -6.855 11.384 No H/Q in entry = 8 In of MODEL 12 1 H ILE 2 H ILE 2 3.501 -6.783 5.798 2 HA ILE 2 HA ILE 2 4.093 -3.943 6.153 3 HB ILE 2 HB ILE 2 1.905 -5.013 4.369 4 HG12 ILE 2 HG12 ILE 2 4.688 -4.765 3.277 5 HG13 ILE 2 HG13 ILE 2 4.194 -6.255 4.078 6 HG21 ILE 2 HG21 ILE 2 2.195 -2.572 4.628 7 HG22 ILE 2 HG22 ILE 2 3.817 -2.717 3.946 8 HG23 ILE 2 HG23 ILE 2 2.405 -3.128 2.972 9 HD11 ILE 2 HD11 ILE 2 2.333 -6.480 2.503 10 HD12 ILE 2 HD12 ILE 2 2.848 -4.997 1.695 11 HD13 ILE 2 HD13 ILE 2 3.891 -6.420 1.679 No H/Q in entry = 11 In of MODEL 12 1 H GLN 3 H GLN 3 2.475 -2.407 6.743 2 HA GLN 3 HA GLN 3 -0.016 -3.551 7.814 3 HB2 GLN 3 HB2 GLN 3 1.800 -1.553 9.175 4 HB3 GLN 3 HB3 GLN 3 0.135 -1.872 9.689 5 HG2 GLN 3 HG2 GLN 3 0.708 -4.223 10.125 6 HG3 GLN 3 HG3 GLN 3 2.388 -3.889 9.636 7 HE21 GLN 3 HE21 GLN 3 0.437 -1.612 11.405 8 HE22 GLN 3 HE22 GLN 3 1.304 -1.713 12.900 No H/Q in entry = 8 In of MODEL 12 1 H VAL 4 H VAL 4 -1.598 -2.719 6.608 2 HA VAL 4 HA VAL 4 -1.333 -0.021 5.529 3 HB VAL 4 HB VAL 4 -3.575 -0.617 4.383 4 HG11 VAL 4 HG11 VAL 4 -1.078 -2.190 3.762 5 HG12 VAL 4 HG12 VAL 4 -2.435 -1.954 2.660 6 HG13 VAL 4 HG13 VAL 4 -1.472 -0.572 3.185 7 HG21 VAL 4 HG21 VAL 4 -2.752 -3.357 5.343 8 HG22 VAL 4 HG22 VAL 4 -4.189 -2.465 5.838 9 HG23 VAL 4 HG23 VAL 4 -4.025 -3.017 4.171 No H/Q in entry = 9 In of MODEL 12 1 H TYR 5 H TYR 5 -2.962 1.532 5.717 2 HA TYR 5 HA TYR 5 -5.024 1.368 7.703 3 HB2 TYR 5 HB2 TYR 5 -2.476 2.878 8.263 4 HB3 TYR 5 HB3 TYR 5 -4.007 3.425 8.941 5 HD1 TYR 5 HD1 TYR 5 -5.387 1.300 10.034 6 HD2 TYR 5 HD2 TYR 5 -1.153 1.618 9.680 7 HE1 TYR 5 HE1 TYR 5 -5.116 -0.331 11.870 8 HE2 TYR 5 HE2 TYR 5 -0.878 -0.005 11.517 9 HH TYR 5 HH TYR 5 -3.362 -1.950 12.634 No H/Q in entry = 9 In of MODEL 12 1 H SER 6 H SER 6 -5.974 3.735 7.967 2 HA SER 6 HA SER 6 -5.584 5.207 5.453 3 HB2 SER 6 HB2 SER 6 -8.237 4.468 6.729 4 HB3 SER 6 HB3 SER 6 -8.040 5.541 5.334 5 HG SER 6 HG SER 6 -6.833 3.042 5.167 No H/Q in entry = 5 In of MODEL 12 1 H ARG 7 H ARG 7 -6.354 7.430 5.531 2 HA ARG 7 HA ARG 7 -5.710 8.651 8.078 3 HB2 ARG 7 HB2 ARG 7 -5.422 9.422 5.405 4 HB3 ARG 7 HB3 ARG 7 -6.660 10.499 6.041 5 HG2 ARG 7 HG2 ARG 7 -3.876 10.095 7.130 6 HG3 ARG 7 HG3 ARG 7 -4.490 11.515 6.285 7 HD2 ARG 7 HD2 ARG 7 -5.663 10.511 8.866 8 HD3 ARG 7 HD3 ARG 7 -4.339 11.675 8.814 9 HE ARG 7 HE ARG 7 -6.155 12.872 7.259 10 HH11 ARG 7 HH11 ARG 7 -6.498 11.346 10.398 11 HH12 ARG 7 HH12 ARG 7 -7.801 12.384 10.895 12 HH21 ARG 7 HH21 ARG 7 -7.826 14.250 7.930 13 HH22 ARG 7 HH22 ARG 7 -8.528 14.056 9.510 No H/Q in entry = 13 In of MODEL 12 1 H HIS 8 H HIS 8 -8.538 7.640 6.536 2 HA HIS 8 HA HIS 8 -10.178 9.512 8.099 3 HB2 HIS 8 HB2 HIS 8 -10.750 8.629 5.263 4 HB3 HIS 8 HB3 HIS 8 -11.727 9.725 6.228 5 HD2 HIS 8 HD2 HIS 8 -10.187 12.182 6.913 6 HE1 HIS 8 HE1 HIS 8 -8.109 11.897 3.237 7 HE2 HIS 8 HE2 HIS 8 -8.896 13.466 5.061 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 9 HA PRO 9 -12.552 5.883 9.226 2 HB2 PRO 9 HB2 PRO 9 -15.012 7.488 8.980 3 HB3 PRO 9 HB3 PRO 9 -14.308 6.720 10.417 4 HG2 PRO 9 HG2 PRO 9 -14.290 9.407 10.081 5 HG3 PRO 9 HG3 PRO 9 -12.942 8.555 10.865 6 HD2 PRO 9 HD2 PRO 9 -13.168 9.568 8.049 7 HD3 PRO 9 HD3 PRO 9 -11.792 9.697 9.172 No H/Q in entry = 7 In of MODEL 12 1 H ALA 10 H ALA 10 -13.448 4.249 8.085 2 HA ALA 10 HA ALA 10 -13.803 4.392 5.301 3 HB1 ALA 10 HB1 ALA 10 -14.633 2.099 5.475 4 HB2 ALA 10 HB2 ALA 10 -13.216 2.330 6.500 5 HB3 ALA 10 HB3 ALA 10 -14.827 2.292 7.216 No H/Q in entry = 5 In of MODEL 12 1 H GLU 11 H GLU 11 -15.418 5.814 4.517 2 HA GLU 11 HA GLU 11 -18.165 5.121 5.404 3 HB2 GLU 11 HB2 GLU 11 -17.181 7.511 5.880 4 HB3 GLU 11 HB3 GLU 11 -17.469 7.782 4.177 5 HG2 GLU 11 HG2 GLU 11 -19.612 6.997 6.130 6 HG3 GLU 11 HG3 GLU 11 -19.216 8.647 5.678 No H/Q in entry = 6 In of MODEL 12 1 H ASN 12 H ASN 12 -18.555 3.562 3.850 2 HA ASN 12 HA ASN 12 -18.069 3.261 1.289 3 HB2 ASN 12 HB2 ASN 12 -19.567 1.760 2.343 4 HB3 ASN 12 HB3 ASN 12 -20.750 3.010 2.690 5 HD21 ASN 12 HD21 ASN 12 -22.183 3.630 1.091 6 HD22 ASN 12 HD22 ASN 12 -22.365 2.759 -0.397 No H/Q in entry = 6 In of MODEL 12 1 H GLY 13 H GLY 13 -17.840 4.601 -0.336 2 HA2 GLY 13 HA2 GLY 13 -19.987 6.579 -0.896 3 HA3 GLY 13 HA3 GLY 13 -19.015 5.789 -2.124 No H/Q in entry = 3 In of MODEL 12 1 H LYS 14 H LYS 14 -17.166 6.751 0.589 2 HA LYS 14 HA LYS 14 -16.616 9.422 -0.478 3 HB2 LYS 14 HB2 LYS 14 -15.163 7.981 1.746 4 HB3 LYS 14 HB3 LYS 14 -15.063 9.685 1.368 5 HG2 LYS 14 HG2 LYS 14 -17.574 8.346 2.340 6 HG3 LYS 14 HG3 LYS 14 -16.357 9.050 3.391 7 HD2 LYS 14 HD2 LYS 14 -18.125 10.603 3.154 8 HD3 LYS 14 HD3 LYS 14 -16.709 11.240 2.319 9 HE2 LYS 14 HE2 LYS 14 -18.691 11.638 1.005 10 HE3 LYS 14 HE3 LYS 14 -17.660 10.466 0.187 11 HZ1 LYS 14 HZ1 LYS 14 -19.819 9.524 1.952 12 HZ2 LYS 14 HZ2 LYS 14 -20.186 10.038 0.372 13 HZ3 LYS 14 HZ3 LYS 14 -19.107 8.758 0.626 No H/Q in entry = 13 In of MODEL 12 1 H SER 15 H SER 15 -14.725 10.025 -1.532 2 HA SER 15 HA SER 15 -12.753 7.917 -1.919 3 HB2 SER 15 HB2 SER 15 -11.700 9.900 -3.362 4 HB3 SER 15 HB3 SER 15 -12.923 8.800 -4.003 5 HG SER 15 HG SER 15 -13.159 11.274 -4.131 No H/Q in entry = 5 In of MODEL 12 1 H ASN 16 H ASN 16 -10.744 8.019 -1.179 2 HA ASN 16 HA ASN 16 -9.847 10.153 0.563 3 HB2 ASN 16 HB2 ASN 16 -10.181 7.377 1.721 4 HB3 ASN 16 HB3 ASN 16 -9.698 8.837 2.565 5 HD21 ASN 16 HD21 ASN 16 -11.232 10.016 3.559 6 HD22 ASN 16 HD22 ASN 16 -12.936 9.696 3.453 No H/Q in entry = 6 In of MODEL 12 1 H PHE 17 H PHE 17 -7.948 8.149 1.856 2 HA PHE 17 HA PHE 17 -6.426 7.428 -0.543 3 HB2 PHE 17 HB2 PHE 17 -5.509 9.200 1.713 4 HB3 PHE 17 HB3 PHE 17 -4.370 8.358 0.663 5 HD1 PHE 17 HD1 PHE 17 -5.456 11.464 1.154 6 HD2 PHE 17 HD2 PHE 17 -5.541 8.519 -1.914 7 HE1 PHE 17 HE1 PHE 17 -5.653 13.240 -0.539 8 HE2 PHE 17 HE2 PHE 17 -5.731 10.290 -3.621 9 HZ PHE 17 HZ PHE 17 -5.790 12.657 -2.930 No H/Q in entry = 9 In of MODEL 12 1 H LEU 18 H LEU 18 -5.369 5.520 -0.416 2 HA LEU 18 HA LEU 18 -5.536 4.061 2.119 3 HB2 LEU 18 HB2 LEU 18 -6.382 2.797 0.278 4 HB3 LEU 18 HB3 LEU 18 -4.989 3.189 -0.714 5 HG LEU 18 HG LEU 18 -3.561 1.718 0.637 6 HD11 LEU 18 HD11 LEU 18 -6.054 1.160 2.250 7 HD12 LEU 18 HD12 LEU 18 -4.549 0.250 2.351 8 HD13 LEU 18 HD13 LEU 18 -4.581 1.946 2.822 9 HD21 LEU 18 HD21 LEU 18 -6.133 0.430 -0.268 10 HD22 LEU 18 HD22 LEU 18 -4.691 0.719 -1.241 11 HD23 LEU 18 HD23 LEU 18 -4.639 -0.434 0.092 No H/Q in entry = 11 In of MODEL 12 1 H ASN 19 H ASN 19 -3.846 3.901 3.386 2 HA ASN 19 HA ASN 19 -1.238 4.711 2.311 3 HB2 ASN 19 HB2 ASN 19 -2.419 5.019 5.075 4 HB3 ASN 19 HB3 ASN 19 -0.709 5.272 4.735 5 HD21 ASN 19 HD21 ASN 19 -2.660 7.174 5.725 6 HD22 ASN 19 HD22 ASN 19 -2.718 8.459 4.563 No H/Q in entry = 6 In of MODEL 12 1 H CYS 20 H CYS 20 0.232 3.184 2.108 2 HA CYS 20 HA CYS 20 0.075 0.790 3.822 3 HB2 CYS 20 HB2 CYS 20 -0.244 0.105 1.566 4 HB3 CYS 20 HB3 CYS 20 0.979 1.224 0.953 No H/Q in entry = 4 In of MODEL 12 1 H TYR 21 H TYR 21 1.677 0.740 5.336 2 HA TYR 21 HA TYR 21 4.075 2.354 4.917 3 HB2 TYR 21 HB2 TYR 21 3.345 0.702 7.336 4 HB3 TYR 21 HB3 TYR 21 4.636 1.876 7.228 5 HD1 TYR 21 HD1 TYR 21 4.096 4.305 7.132 6 HD2 TYR 21 HD2 TYR 21 1.111 1.351 7.795 7 HE1 TYR 21 HE1 TYR 21 2.582 6.037 8.011 8 HE2 TYR 21 HE2 TYR 21 -0.413 3.073 8.660 9 HH TYR 21 HH TYR 21 0.265 6.441 8.392 No H/Q in entry = 9 In of MODEL 12 1 H VAL 22 H VAL 22 5.947 1.531 4.268 2 HA VAL 22 HA VAL 22 6.446 -1.349 4.657 3 HB VAL 22 HB VAL 22 7.264 0.319 2.241 4 HG11 VAL 22 HG11 VAL 22 8.845 -1.497 2.933 5 HG12 VAL 22 HG12 VAL 22 7.553 -2.660 2.622 6 HG13 VAL 22 HG13 VAL 22 8.185 -1.665 1.305 7 HG21 VAL 22 HG21 VAL 22 4.871 -0.185 2.238 8 HG22 VAL 22 HG22 VAL 22 5.714 -1.063 0.961 9 HG23 VAL 22 HG23 VAL 22 5.225 -1.901 2.435 No H/Q in entry = 9 In of MODEL 12 1 H SER 23 H SER 23 8.085 -1.355 6.223 2 HA SER 23 HA SER 23 10.119 0.769 5.995 3 HB2 SER 23 HB2 SER 23 8.481 1.145 7.858 4 HB3 SER 23 HB3 SER 23 9.063 -0.342 8.601 5 HG SER 23 HG SER 23 10.234 2.158 8.470 No H/Q in entry = 5 In of MODEL 12 1 H GLY 24 H GLY 24 12.208 0.251 6.250 2 HA2 GLY 24 HA2 GLY 24 12.924 -2.457 7.206 3 HA3 GLY 24 HA3 GLY 24 13.994 -1.060 7.211 No H/Q in entry = 3 In of MODEL 12 1 H PHE 25 H PHE 25 12.384 -0.915 4.406 2 HA PHE 25 HA PHE 25 14.315 -2.601 2.952 3 HB2 PHE 25 HB2 PHE 25 11.587 -1.663 2.058 4 HB3 PHE 25 HB3 PHE 25 12.646 -2.766 1.191 5 HD1 PHE 25 HD1 PHE 25 12.782 -5.087 1.761 6 HD2 PHE 25 HD2 PHE 25 10.504 -2.427 4.193 7 HE1 PHE 25 HE1 PHE 25 11.783 -7.020 2.941 8 HE2 PHE 25 HE2 PHE 25 9.499 -4.354 5.373 9 HZ PHE 25 HZ PHE 25 10.128 -6.638 4.721 No H/Q in entry = 9 In of MODEL 12 1 H HIS 26 H HIS 26 15.531 -1.721 1.350 2 HA HIS 26 HA HIS 26 15.864 1.122 1.364 3 HB2 HIS 26 HB2 HIS 26 17.074 -0.752 -0.667 4 HB3 HIS 26 HB3 HIS 26 17.719 0.783 -0.079 5 HD2 HIS 26 HD2 HIS 26 18.029 0.379 3.000 6 HE1 HIS 26 HE1 HIS 26 19.739 -3.382 2.096 7 HE2 HIS 26 HE2 HIS 26 19.337 -1.663 3.915 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 27 HA PRO 27 12.469 1.946 -1.349 2 HB2 PRO 27 HB2 PRO 27 13.973 4.492 -1.772 3 HB3 PRO 27 HB3 PRO 27 12.283 4.251 -1.301 4 HG2 PRO 27 HG2 PRO 27 14.066 4.993 0.517 5 HG3 PRO 27 HG3 PRO 27 12.838 3.760 0.920 6 HD2 PRO 27 HD2 PRO 27 15.749 3.402 0.230 7 HD3 PRO 27 HD3 PRO 27 14.774 2.576 1.469 No H/Q in entry = 7 In of MODEL 12 1 H SER 28 H SER 28 15.551 1.427 -2.561 2 HA SER 28 HA SER 28 14.822 2.250 -5.274 3 HB2 SER 28 HB2 SER 28 17.256 1.427 -5.692 4 HB3 SER 28 HB3 SER 28 17.015 2.947 -4.823 5 HG SER 28 HG SER 28 17.959 0.486 -3.917 No H/Q in entry = 5 In of MODEL 12 1 H ASP 29 H ASP 29 15.592 -0.642 -3.388 2 HA ASP 29 HA ASP 29 15.438 -2.232 -5.857 3 HB2 ASP 29 HB2 ASP 29 16.479 -3.302 -3.249 4 HB3 ASP 29 HB3 ASP 29 16.850 -3.827 -4.883 No H/Q in entry = 4 In of MODEL 12 1 H ILE 30 H ILE 30 13.061 -1.332 -4.211 2 HA ILE 30 HA ILE 30 12.058 -4.053 -3.647 3 HB ILE 30 HB ILE 30 10.955 -3.441 -1.732 4 HG12 ILE 30 HG12 ILE 30 10.954 -0.520 -2.587 5 HG13 ILE 30 HG13 ILE 30 9.610 -1.649 -2.763 6 HG21 ILE 30 HG21 ILE 30 13.261 -1.503 -1.794 7 HG22 ILE 30 HG22 ILE 30 12.355 -1.938 -0.345 8 HG23 ILE 30 HG23 ILE 30 13.279 -3.165 -1.207 9 HD11 ILE 30 HD11 ILE 30 9.508 -1.891 -0.324 10 HD12 ILE 30 HD12 ILE 30 10.818 -0.718 -0.170 11 HD13 ILE 30 HD13 ILE 30 9.269 -0.224 -0.849 No H/Q in entry = 11 In of MODEL 12 1 H GLU 31 H GLU 31 9.643 -4.162 -3.715 2 HA GLU 31 HA GLU 31 8.487 -2.338 -5.704 3 HB2 GLU 31 HB2 GLU 31 8.611 -5.342 -5.821 4 HB3 GLU 31 HB3 GLU 31 7.352 -4.444 -6.657 5 HG2 GLU 31 HG2 GLU 31 8.905 -3.386 -8.086 6 HG3 GLU 31 HG3 GLU 31 10.276 -3.865 -7.087 No H/Q in entry = 6 In of MODEL 12 1 H VAL 32 H VAL 32 6.811 -1.429 -4.716 2 HA VAL 32 HA VAL 32 4.970 -3.130 -3.174 3 HB VAL 32 HB VAL 32 5.635 -2.042 -1.304 4 HG11 VAL 32 HG11 VAL 32 7.602 -1.129 -2.457 5 HG12 VAL 32 HG12 VAL 32 6.646 0.263 -2.961 6 HG13 VAL 32 HG13 VAL 32 6.958 -0.020 -1.246 7 HG21 VAL 32 HG21 VAL 32 3.422 -1.071 -1.674 8 HG22 VAL 32 HG22 VAL 32 4.486 0.041 -0.815 9 HG23 VAL 32 HG23 VAL 32 4.158 0.281 -2.531 No H/Q in entry = 9 In of MODEL 12 1 H ASP 33 H ASP 33 2.835 -2.878 -3.628 2 HA ASP 33 HA ASP 33 2.015 -0.581 -5.271 3 HB2 ASP 33 HB2 ASP 33 1.487 -3.510 -5.976 4 HB3 ASP 33 HB3 ASP 33 0.681 -2.142 -6.748 No H/Q in entry = 4 In of MODEL 12 1 H LEU 34 H LEU 34 -0.385 -0.470 -5.422 2 HA LEU 34 HA LEU 34 -1.618 -1.444 -2.922 3 HB2 LEU 34 HB2 LEU 34 -1.939 1.099 -4.444 4 HB3 LEU 34 HB3 LEU 34 -3.355 0.462 -3.632 5 HG LEU 34 HG LEU 34 -2.056 0.458 -1.485 6 HD11 LEU 34 HD11 LEU 34 0.197 0.416 -2.433 7 HD12 LEU 34 HD12 LEU 34 -0.046 2.045 -3.069 8 HD13 LEU 34 HD13 LEU 34 -0.026 1.769 -1.326 9 HD21 LEU 34 HD21 LEU 34 -3.604 2.262 -2.064 10 HD22 LEU 34 HD22 LEU 34 -2.248 2.830 -1.090 11 HD23 LEU 34 HD23 LEU 34 -2.278 3.141 -2.830 No H/Q in entry = 11 In of MODEL 12 1 H LEU 35 H LEU 35 -3.328 -2.789 -3.047 2 HA LEU 35 HA LEU 35 -4.237 -3.514 -5.761 3 HB2 LEU 35 HB2 LEU 35 -3.803 -5.399 -3.450 4 HB3 LEU 35 HB3 LEU 35 -4.290 -5.816 -5.072 5 HG LEU 35 HG LEU 35 -1.583 -5.054 -4.049 6 HD11 LEU 35 HD11 LEU 35 -2.785 -7.274 -5.705 7 HD12 LEU 35 HD12 LEU 35 -1.056 -7.089 -5.436 8 HD13 LEU 35 HD13 LEU 35 -2.134 -7.388 -4.068 9 HD21 LEU 35 HD21 LEU 35 -2.097 -3.638 -6.087 10 HD22 LEU 35 HD22 LEU 35 -0.728 -4.739 -6.250 11 HD23 LEU 35 HD23 LEU 35 -2.274 -5.143 -6.983 No H/Q in entry = 11 In of MODEL 12 1 H LYS 36 H LYS 36 -6.202 -4.825 -5.811 2 HA LYS 36 HA LYS 36 -8.035 -4.549 -3.525 3 HB2 LYS 36 HB2 LYS 36 -9.077 -5.099 -6.270 4 HB3 LYS 36 HB3 LYS 36 -9.857 -4.237 -4.928 5 HG2 LYS 36 HG2 LYS 36 -8.451 -2.296 -5.391 6 HG3 LYS 36 HG3 LYS 36 -7.602 -3.177 -6.658 7 HD2 LYS 36 HD2 LYS 36 -9.248 -1.651 -7.637 8 HD3 LYS 36 HD3 LYS 36 -9.644 -3.330 -8.012 9 HE2 LYS 36 HE2 LYS 36 -11.674 -2.021 -7.437 10 HE3 LYS 36 HE3 LYS 36 -11.396 -3.268 -6.229 11 HZ1 LYS 36 HZ1 LYS 36 -10.334 -0.549 -5.832 12 HZ2 LYS 36 HZ2 LYS 36 -11.967 -0.878 -5.523 13 HZ3 LYS 36 HZ3 LYS 36 -10.767 -1.715 -4.667 No H/Q in entry = 13 In of MODEL 12 1 H ASN 37 H ASN 37 -8.090 -6.579 -2.596 2 HA ASN 37 HA ASN 37 -7.957 -8.873 -2.437 3 HB2 ASN 37 HB2 ASN 37 -9.674 -8.906 -4.883 4 HB3 ASN 37 HB3 ASN 37 -9.834 -9.929 -3.489 5 HD21 ASN 37 HD21 ASN 37 -10.298 -6.720 -4.792 6 HD22 ASN 37 HD22 ASN 37 -11.528 -6.212 -3.701 No H/Q in entry = 6 In of MODEL 12 1 H GLY 38 H GLY 38 -5.735 -7.955 -3.715 2 HA2 GLY 38 HA2 GLY 38 -5.008 -10.208 -5.326 3 HA3 GLY 38 HA3 GLY 38 -3.951 -8.890 -4.871 No H/Q in entry = 3 In of MODEL 12 1 H GLU 39 H GLU 39 -5.878 -6.885 -6.129 2 HA GLU 39 HA GLU 39 -5.090 -7.416 -8.905 3 HB2 GLU 39 HB2 GLU 39 -7.524 -7.887 -8.562 4 HB3 GLU 39 HB3 GLU 39 -7.742 -6.210 -8.073 5 HG2 GLU 39 HG2 GLU 39 -8.384 -6.681 -10.444 6 HG3 GLU 39 HG3 GLU 39 -7.167 -5.416 -10.244 No H/Q in entry = 6 In of MODEL 12 1 H ARG 40 H ARG 40 -3.796 -5.862 -9.597 2 HA ARG 40 HA ARG 40 -3.039 -3.609 -8.207 3 HB2 ARG 40 HB2 ARG 40 -2.062 -4.807 -10.383 4 HB3 ARG 40 HB3 ARG 40 -2.959 -3.542 -11.204 5 HG2 ARG 40 HG2 ARG 40 -1.701 -1.829 -10.026 6 HG3 ARG 40 HG3 ARG 40 -0.856 -3.072 -9.112 7 HD2 ARG 40 HD2 ARG 40 -0.709 -2.910 -12.133 8 HD3 ARG 40 HD3 ARG 40 0.444 -2.114 -11.050 9 HE ARG 40 HE ARG 40 0.022 -5.021 -10.884 10 HH11 ARG 40 HH11 ARG 40 2.063 -2.244 -11.505 11 HH12 ARG 40 HH12 ARG 40 3.531 -3.172 -11.578 12 HH21 ARG 40 HH21 ARG 40 1.957 -6.257 -11.010 13 HH22 ARG 40 HH22 ARG 40 3.463 -5.456 -11.324 No H/Q in entry = 13 In of MODEL 12 1 H ILE 41 H ILE 41 -3.992 -1.762 -7.732 2 HA ILE 41 HA ILE 41 -6.537 -1.042 -8.684 3 HB ILE 41 HB ILE 41 -4.531 0.585 -7.117 4 HG12 ILE 41 HG12 ILE 41 -6.917 -1.048 -6.259 5 HG13 ILE 41 HG13 ILE 41 -5.242 -1.544 -6.083 6 HG21 ILE 41 HG21 ILE 41 -7.483 1.074 -7.554 7 HG22 ILE 41 HG22 ILE 41 -6.468 1.946 -6.408 8 HG23 ILE 41 HG23 ILE 41 -6.166 2.083 -8.138 9 HD11 ILE 41 HD11 ILE 41 -6.145 0.992 -4.817 10 HD12 ILE 41 HD12 ILE 41 -6.551 -0.565 -4.085 11 HD13 ILE 41 HD13 ILE 41 -4.854 -0.128 -4.349 No H/Q in entry = 11 In of MODEL 12 1 H GLU 42 H GLU 42 -3.921 1.323 -8.805 2 HA GLU 42 HA GLU 42 -2.646 1.302 -11.040 3 HB2 GLU 42 HB2 GLU 42 -5.421 2.067 -11.953 4 HB3 GLU 42 HB3 GLU 42 -3.977 2.547 -12.824 5 HG2 GLU 42 HG2 GLU 42 -3.461 -0.018 -12.788 6 HG3 GLU 42 HG3 GLU 42 -5.199 -0.144 -12.511 No H/Q in entry = 6 In of MODEL 12 1 H LYS 43 H LYS 43 -4.938 3.463 -9.344 2 HA LYS 43 HA LYS 43 -3.660 5.820 -10.427 3 HB2 LYS 43 HB2 LYS 43 -5.622 5.736 -8.135 4 HB3 LYS 43 HB3 LYS 43 -5.294 7.069 -9.226 5 HG2 LYS 43 HG2 LYS 43 -6.861 4.553 -9.813 6 HG3 LYS 43 HG3 LYS 43 -7.443 6.217 -9.763 7 HD2 LYS 43 HD2 LYS 43 -5.448 5.150 -11.761 8 HD3 LYS 43 HD3 LYS 43 -7.174 5.334 -12.062 9 HE2 LYS 43 HE2 LYS 43 -5.281 7.574 -11.343 10 HE3 LYS 43 HE3 LYS 43 -5.865 7.217 -12.967 11 HZ1 LYS 43 HZ1 LYS 43 -8.155 7.579 -12.096 12 HZ2 LYS 43 HZ2 LYS 43 -7.476 8.117 -10.638 13 HZ3 LYS 43 HZ3 LYS 43 -7.178 8.964 -12.072 No H/Q in entry = 13 In of MODEL 12 1 H VAL 44 H VAL 44 -1.611 4.560 -9.246 2 HA VAL 44 HA VAL 44 -1.465 5.728 -6.568 3 HB VAL 44 HB VAL 44 -1.383 3.057 -6.921 4 HG11 VAL 44 HG11 VAL 44 0.648 3.121 -8.296 5 HG12 VAL 44 HG12 VAL 44 1.505 3.876 -6.948 6 HG13 VAL 44 HG13 VAL 44 0.877 2.231 -6.787 7 HG21 VAL 44 HG21 VAL 44 -1.493 4.213 -4.797 8 HG22 VAL 44 HG22 VAL 44 -0.278 2.933 -4.745 9 HG23 VAL 44 HG23 VAL 44 0.222 4.620 -4.914 No H/Q in entry = 9 In of MODEL 12 1 H GLU 45 H GLU 45 0.177 6.990 -6.176 2 HA GLU 45 HA GLU 45 1.973 7.547 -8.427 3 HB2 GLU 45 HB2 GLU 45 0.832 9.464 -6.343 4 HB3 GLU 45 HB3 GLU 45 1.913 9.930 -7.631 5 HG2 GLU 45 HG2 GLU 45 0.221 9.457 -9.319 6 HG3 GLU 45 HG3 GLU 45 -0.870 8.805 -8.098 No H/Q in entry = 6 In of MODEL 12 1 H HIS 46 H HIS 46 4.158 7.998 -7.949 2 HA HIS 46 HA HIS 46 5.088 6.426 -5.682 3 HB2 HIS 46 HB2 HIS 46 5.989 6.237 -8.039 4 HB3 HIS 46 HB3 HIS 46 6.744 7.815 -7.810 5 HD2 HIS 46 HD2 HIS 46 7.104 5.716 -4.667 6 HE1 HIS 46 HE1 HIS 46 10.591 5.084 -6.971 7 HE2 HIS 46 HE2 HIS 46 9.600 5.001 -4.641 No H/Q in entry = 7 In of MODEL 12 1 H SER 47 H SER 47 7.196 7.401 -4.529 2 HA SER 47 HA SER 47 6.455 10.087 -3.648 3 HB2 SER 47 HB2 SER 47 6.663 9.166 -1.256 4 HB3 SER 47 HB3 SER 47 5.193 8.772 -2.150 5 HG SER 47 HG SER 47 5.843 6.851 -1.372 No H/Q in entry = 5 In of MODEL 12 1 H ASP 48 H ASP 48 8.042 10.484 -1.598 2 HA ASP 48 HA ASP 48 10.544 11.072 -2.439 3 HB2 ASP 48 HB2 ASP 48 9.323 10.523 0.193 4 HB3 ASP 48 HB3 ASP 48 11.079 10.462 0.145 No H/Q in entry = 4 In of MODEL 12 1 H LEU 49 H LEU 49 12.545 10.134 -2.520 2 HA LEU 49 HA LEU 49 14.107 8.544 -2.838 3 HB2 LEU 49 HB2 LEU 49 12.514 7.018 -0.765 4 HB3 LEU 49 HB3 LEU 49 14.134 6.607 -1.318 5 HG LEU 49 HG LEU 49 14.476 9.205 -0.479 6 HD11 LEU 49 HD11 LEU 49 12.210 9.356 0.438 7 HD12 LEU 49 HD12 LEU 49 12.534 7.954 1.461 8 HD13 LEU 49 HD13 LEU 49 13.433 9.448 1.706 9 HD21 LEU 49 HD21 LEU 49 14.806 6.705 1.189 10 HD22 LEU 49 HD22 LEU 49 16.000 7.410 0.094 11 HD23 LEU 49 HD23 LEU 49 15.515 8.275 1.550 No H/Q in entry = 11 In of MODEL 12 1 H SER 50 H SER 50 13.887 7.914 -4.878 2 HA SER 50 HA SER 50 11.967 5.783 -5.491 3 HB2 SER 50 HB2 SER 50 12.405 6.480 -7.880 4 HB3 SER 50 HB3 SER 50 11.633 7.717 -6.887 5 HG SER 50 HG SER 50 13.476 8.403 -8.229 No H/Q in entry = 5 In of MODEL 12 1 H PHE 51 H PHE 51 15.300 6.715 -5.430 2 HA PHE 51 HA PHE 51 16.197 4.010 -5.845 3 HB2 PHE 51 HB2 PHE 51 16.922 6.206 -7.799 4 HB3 PHE 51 HB3 PHE 51 17.860 4.729 -7.623 5 HD1 PHE 51 HD1 PHE 51 16.577 2.509 -7.958 6 HD2 PHE 51 HD2 PHE 51 15.181 6.294 -9.319 7 HE1 PHE 51 HE1 PHE 51 15.126 1.382 -9.592 8 HE2 PHE 51 HE2 PHE 51 13.720 5.172 -10.952 9 HZ PHE 51 HZ PHE 51 13.692 2.713 -11.090 No H/Q in entry = 9 In of MODEL 12 1 H SER 52 H SER 52 16.212 5.983 -3.723 2 HA SER 52 HA SER 52 18.909 7.048 -3.653 3 HB2 SER 52 HB2 SER 52 16.953 8.395 -2.883 4 HB3 SER 52 HB3 SER 52 16.737 7.257 -1.556 5 HG SER 52 HG SER 52 18.852 7.816 -0.846 No H/Q in entry = 5 In of MODEL 12 1 H LYS 53 H LYS 53 17.457 4.192 -2.866 2 HA LYS 53 HA LYS 53 17.790 2.469 -1.427 3 HB2 LYS 53 HB2 LYS 53 20.017 1.530 -1.519 4 HB3 LYS 53 HB3 LYS 53 19.571 2.173 -3.087 5 HG2 LYS 53 HG2 LYS 53 21.171 3.891 -1.262 6 HG3 LYS 53 HG3 LYS 53 21.967 2.536 -2.059 7 HD2 LYS 53 HD2 LYS 53 21.206 3.395 -4.234 8 HD3 LYS 53 HD3 LYS 53 20.461 4.768 -3.416 9 HE2 LYS 53 HE2 LYS 53 23.393 4.075 -3.420 10 HE3 LYS 53 HE3 LYS 53 22.632 5.369 -4.342 11 HZ1 LYS 53 HZ1 LYS 53 22.003 6.431 -2.261 12 HZ2 LYS 53 HZ2 LYS 53 22.736 5.185 -1.374 13 HZ3 LYS 53 HZ3 LYS 53 23.678 6.210 -2.346 No H/Q in entry = 13 In of MODEL 12 1 H ASP 54 H ASP 54 19.997 1.860 0.213 2 HA ASP 54 HA ASP 54 20.862 2.103 2.271 3 HB2 ASP 54 HB2 ASP 54 20.585 5.030 1.577 4 HB3 ASP 54 HB3 ASP 54 21.445 4.431 2.997 No H/Q in entry = 4 In of MODEL 12 1 H TRP 55 H TRP 55 20.028 4.615 3.926 2 HA TRP 55 HA TRP 55 18.560 3.147 5.752 3 HB2 TRP 55 HB2 TRP 55 18.467 5.043 7.075 4 HB3 TRP 55 HB3 TRP 55 19.884 5.323 6.083 5 HD1 TRP 55 HD1 TRP 55 17.369 7.266 7.556 6 HE1 TRP 55 HE1 TRP 55 16.742 9.355 6.193 7 HE3 TRP 55 HE3 TRP 55 19.361 5.933 2.964 8 HZ2 TRP 55 HZ2 TRP 55 17.033 10.314 3.562 9 HZ3 TRP 55 HZ3 TRP 55 19.113 7.505 1.105 10 HH2 TRP 55 HH2 TRP 55 17.980 9.648 1.389 No H/Q in entry = 10 In of MODEL 12 1 H SER 56 H SER 56 16.559 2.665 6.123 2 HA SER 56 HA SER 56 14.499 3.782 4.343 3 HB2 SER 56 HB2 SER 56 14.917 1.380 3.993 4 HB3 SER 56 HB3 SER 56 14.624 1.076 5.702 5 HG SER 56 HG SER 56 12.851 1.385 3.654 No H/Q in entry = 5 In of MODEL 12 1 H PHE 57 H PHE 57 13.050 5.158 5.525 2 HA PHE 57 HA PHE 57 12.895 4.611 8.385 3 HB2 PHE 57 HB2 PHE 57 12.399 7.089 8.567 4 HB3 PHE 57 HB3 PHE 57 14.037 6.680 8.066 5 HD1 PHE 57 HD1 PHE 57 11.200 8.669 7.360 6 HD2 PHE 57 HD2 PHE 57 14.464 6.678 5.482 7 HE1 PHE 57 HE1 PHE 57 10.942 10.112 5.386 8 HE2 PHE 57 HE2 PHE 57 14.199 8.117 3.500 9 HZ PHE 57 HZ PHE 57 12.442 9.825 3.451 No H/Q in entry = 9 In of MODEL 12 1 H TYR 58 H TYR 58 10.961 6.577 6.116 2 HA TYR 58 HA TYR 58 8.667 4.852 6.667 3 HB2 TYR 58 HB2 TYR 58 8.942 7.782 7.131 4 HB3 TYR 58 HB3 TYR 58 7.404 7.230 6.476 5 HD1 TYR 58 HD1 TYR 58 5.867 5.938 7.819 6 HD2 TYR 58 HD2 TYR 58 9.673 7.025 9.393 7 HE1 TYR 58 HE1 TYR 58 5.120 5.261 10.077 8 HE2 TYR 58 HE2 TYR 58 8.932 6.355 11.657 9 HH TYR 58 HH TYR 58 6.699 6.141 12.860 No H/Q in entry = 9 In of MODEL 12 1 H LEU 59 H LEU 59 8.317 3.896 4.827 2 HA LEU 59 HA LEU 59 8.322 5.349 2.250 3 HB2 LEU 59 HB2 LEU 59 8.724 2.547 3.140 4 HB3 LEU 59 HB3 LEU 59 7.822 2.748 1.656 5 HG LEU 59 HG LEU 59 10.585 3.906 2.063 6 HD11 LEU 59 HD11 LEU 59 9.747 1.245 0.910 7 HD12 LEU 59 HD12 LEU 59 11.344 1.962 0.711 8 HD13 LEU 59 HD13 LEU 59 10.771 1.521 2.318 9 HD21 LEU 59 HD21 LEU 59 8.681 3.609 -0.228 10 HD22 LEU 59 HD22 LEU 59 9.620 5.022 0.261 11 HD23 LEU 59 HD23 LEU 59 10.415 3.654 -0.524 No H/Q in entry = 11 In of MODEL 12 1 H LEU 60 H LEU 60 6.351 5.969 1.490 2 HA LEU 60 HA LEU 60 4.017 4.310 2.113 3 HB2 LEU 60 HB2 LEU 60 3.996 6.134 3.704 4 HB3 LEU 60 HB3 LEU 60 4.283 7.293 2.423 5 HG LEU 60 HG LEU 60 2.044 6.747 1.485 6 HD11 LEU 60 HD11 LEU 60 1.824 4.508 2.423 7 HD12 LEU 60 HD12 LEU 60 1.739 5.192 4.046 8 HD13 LEU 60 HD13 LEU 60 0.464 5.533 2.877 9 HD21 LEU 60 HD21 LEU 60 2.389 8.684 2.935 10 HD22 LEU 60 HD22 LEU 60 0.791 7.979 3.176 11 HD23 LEU 60 HD23 LEU 60 2.071 7.685 4.354 No H/Q in entry = 11 In of MODEL 12 1 H TYR 61 H TYR 61 2.501 4.218 0.475 2 HA TYR 61 HA TYR 61 2.978 5.867 -1.908 3 HB2 TYR 61 HB2 TYR 61 2.195 2.942 -1.749 4 HB3 TYR 61 HB3 TYR 61 1.911 3.908 -3.206 5 HD1 TYR 61 HD1 TYR 61 4.753 3.320 -0.816 6 HD2 TYR 61 HD2 TYR 61 3.511 3.692 -4.868 7 HE1 TYR 61 HE1 TYR 61 7.060 2.906 -1.567 8 HE2 TYR 61 HE2 TYR 61 5.808 3.274 -5.624 9 HH TYR 61 HH TYR 61 8.118 3.517 -4.689 No H/Q in entry = 9 In of MODEL 12 1 H TYR 62 H TYR 62 0.878 6.298 -3.175 2 HA TYR 62 HA TYR 62 -1.374 6.248 -1.335 3 HB2 TYR 62 HB2 TYR 62 -1.743 8.705 -1.468 4 HB3 TYR 62 HB3 TYR 62 -0.319 8.230 -0.569 5 HD1 TYR 62 HD1 TYR 62 1.865 8.086 -2.508 6 HD2 TYR 62 HD2 TYR 62 -1.462 10.763 -2.407 7 HE1 TYR 62 HE1 TYR 62 3.151 9.787 -3.764 8 HE2 TYR 62 HE2 TYR 62 -0.184 12.417 -3.678 9 HH TYR 62 HH TYR 62 2.246 12.974 -4.033 No H/Q in entry = 9 In of MODEL 12 1 H THR 63 H THR 63 -3.319 6.117 -2.228 2 HA THR 63 HA THR 63 -3.729 6.640 -5.083 3 HB THR 63 HB THR 63 -3.012 4.137 -4.552 4 HG1 THR 63 HG1 THR 63 -4.081 5.218 -6.515 5 HG21 THR 63 HG21 THR 63 -5.967 4.102 -3.946 6 HG22 THR 63 HG22 THR 63 -4.960 2.677 -4.205 7 HG23 THR 63 HG23 THR 63 -4.679 3.719 -2.809 No H/Q in entry = 7 In of MODEL 12 1 H GLU 64 H GLU 64 -5.845 7.103 -5.593 2 HA GLU 64 HA GLU 64 -7.641 7.908 -3.557 3 HB2 GLU 64 HB2 GLU 64 -7.668 8.967 -5.799 4 HB3 GLU 64 HB3 GLU 64 -8.117 7.431 -6.519 5 HG2 GLU 64 HG2 GLU 64 -10.243 7.498 -5.236 6 HG3 GLU 64 HG3 GLU 64 -9.767 9.075 -4.605 No H/Q in entry = 6 In of MODEL 12 1 H PHE 65 H PHE 65 -9.354 6.791 -2.598 2 HA PHE 65 HA PHE 65 -10.129 4.263 -3.866 3 HB2 PHE 65 HB2 PHE 65 -10.098 3.036 -1.852 4 HB3 PHE 65 HB3 PHE 65 -8.597 3.923 -1.914 5 HD1 PHE 65 HD1 PHE 65 -7.839 4.398 0.156 6 HD2 PHE 65 HD2 PHE 65 -11.997 4.812 -0.622 7 HE1 PHE 65 HE1 PHE 65 -8.196 5.203 2.463 8 HE2 PHE 65 HE2 PHE 65 -12.344 5.625 1.674 9 HZ PHE 65 HZ PHE 65 -10.460 5.819 3.223 No H/Q in entry = 9 In of MODEL 12 1 H THR 66 H THR 66 -12.273 3.574 -3.512 2 HA THR 66 HA THR 66 -13.935 5.210 -1.727 3 HB THR 66 HB THR 66 -14.760 4.332 -4.522 4 HG1 THR 66 HG1 THR 66 -13.474 6.532 -3.597 5 HG21 THR 66 HG21 THR 66 -16.221 5.885 -2.368 6 HG22 THR 66 HG22 THR 66 -16.751 5.776 -4.050 7 HG23 THR 66 HG23 THR 66 -16.672 4.321 -3.058 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 67 HA PRO 67 -14.407 0.872 -0.565 2 HB2 PRO 67 HB2 PRO 67 -15.839 1.502 1.788 3 HB3 PRO 67 HB3 PRO 67 -14.125 1.108 1.651 4 HG2 PRO 67 HG2 PRO 67 -15.254 3.630 2.304 5 HG3 PRO 67 HG3 PRO 67 -13.549 3.247 2.043 6 HD2 PRO 67 HD2 PRO 67 -15.423 4.652 0.314 7 HD3 PRO 67 HD3 PRO 67 -13.654 4.566 0.219 No H/Q in entry = 7 In of MODEL 12 1 H THR 68 H THR 68 -15.828 -0.582 -0.730 2 HA THR 68 HA THR 68 -18.683 0.063 -0.866 3 HB THR 68 HB THR 68 -18.880 -1.532 -2.767 4 HG1 THR 68 HG1 THR 68 -16.885 -2.164 -3.806 5 HG21 THR 68 HG21 THR 68 -18.648 0.875 -3.249 6 HG22 THR 68 HG22 THR 68 -16.895 0.684 -3.304 7 HG23 THR 68 HG23 THR 68 -17.905 -0.119 -4.505 No H/Q in entry = 7 In of MODEL 12 1 H GLU 69 H GLU 69 -20.034 -1.847 -0.398 2 HA GLU 69 HA GLU 69 -19.127 -3.467 1.693 3 HB2 GLU 69 HB2 GLU 69 -21.451 -3.057 1.480 4 HB3 GLU 69 HB3 GLU 69 -21.517 -3.661 -0.165 5 HG2 GLU 69 HG2 GLU 69 -22.511 -5.322 1.118 6 HG3 GLU 69 HG3 GLU 69 -20.866 -5.906 0.824 No H/Q in entry = 6 In of MODEL 12 1 H LYS 70 H LYS 70 -18.203 -3.723 -1.509 2 HA LYS 70 HA LYS 70 -17.858 -6.615 -1.269 3 HB2 LYS 70 HB2 LYS 70 -18.152 -4.931 -3.750 4 HB3 LYS 70 HB3 LYS 70 -17.706 -6.626 -3.784 5 HG2 LYS 70 HG2 LYS 70 -20.253 -5.840 -2.410 6 HG3 LYS 70 HG3 LYS 70 -20.185 -5.855 -4.168 7 HD2 LYS 70 HD2 LYS 70 -21.027 -7.980 -3.287 8 HD3 LYS 70 HD3 LYS 70 -19.513 -8.193 -4.163 9 HE2 LYS 70 HE2 LYS 70 -18.290 -8.365 -2.096 10 HE3 LYS 70 HE3 LYS 70 -19.743 -7.997 -1.161 11 HZ1 LYS 70 HZ1 LYS 70 -19.441 -10.372 -2.915 12 HZ2 LYS 70 HZ2 LYS 70 -19.150 -10.381 -1.246 13 HZ3 LYS 70 HZ3 LYS 70 -20.708 -10.057 -1.836 No H/Q in entry = 13 In of MODEL 12 1 H ASP 71 H ASP 71 -15.923 -3.688 -1.779 2 HA ASP 71 HA ASP 71 -13.834 -5.379 -2.912 3 HB2 ASP 71 HB2 ASP 71 -14.384 -3.364 -4.168 4 HB3 ASP 71 HB3 ASP 71 -13.921 -2.364 -2.786 No H/Q in entry = 4 In of MODEL 12 1 H GLU 72 H GLU 72 -12.001 -5.812 -2.018 2 HA GLU 72 HA GLU 72 -11.306 -4.864 0.678 3 HB2 GLU 72 HB2 GLU 72 -11.619 -7.222 0.486 4 HB3 GLU 72 HB3 GLU 72 -10.685 -7.317 -0.986 5 HG2 GLU 72 HG2 GLU 72 -9.398 -6.586 1.605 6 HG3 GLU 72 HG3 GLU 72 -9.745 -8.260 1.200 No H/Q in entry = 6 In of MODEL 12 1 H TYR 73 H TYR 73 -9.294 -3.872 1.020 2 HA TYR 73 HA TYR 73 -7.744 -3.224 -1.407 3 HB2 TYR 73 HB2 TYR 73 -8.286 -1.519 1.036 4 HB3 TYR 73 HB3 TYR 73 -7.070 -1.122 -0.166 5 HD1 TYR 73 HD1 TYR 73 -7.650 0.081 -2.077 6 HD2 TYR 73 HD2 TYR 73 -10.705 -1.746 0.246 7 HE1 TYR 73 HE1 TYR 73 -9.353 1.253 -3.413 8 HE2 TYR 73 HE2 TYR 73 -12.421 -0.576 -1.080 9 HH TYR 73 HH TYR 73 -12.735 1.194 -2.543 No H/Q in entry = 9 In of MODEL 12 1 H ALA 74 H ALA 74 -5.647 -3.754 -1.422 2 HA ALA 74 HA ALA 74 -4.365 -4.579 1.092 3 HB1 ALA 74 HB1 ALA 74 -5.253 -6.541 -0.073 4 HB2 ALA 74 HB2 ALA 74 -4.349 -6.088 -1.521 5 HB3 ALA 74 HB3 ALA 74 -3.491 -6.548 -0.047 No H/Q in entry = 5 In of MODEL 12 1 H CYS 75 H CYS 75 -1.994 -4.623 0.992 2 HA CYS 75 HA CYS 75 -0.895 -3.170 -1.340 3 HB2 CYS 75 HB2 CYS 75 -0.853 -1.649 0.491 4 HB3 CYS 75 HB3 CYS 75 -0.194 -2.864 1.571 No H/Q in entry = 4 In of MODEL 12 1 H ARG 76 H ARG 76 0.761 -4.142 -2.385 2 HA ARG 76 HA ARG 76 1.731 -6.717 -1.335 3 HB2 ARG 76 HB2 ARG 76 0.470 -6.420 -3.575 4 HB3 ARG 76 HB3 ARG 76 1.961 -5.703 -4.164 5 HG2 ARG 76 HG2 ARG 76 3.103 -7.751 -4.044 6 HG3 ARG 76 HG3 ARG 76 1.906 -8.463 -2.961 7 HD2 ARG 76 HD2 ARG 76 1.673 -9.389 -5.243 8 HD3 ARG 76 HD3 ARG 76 0.249 -8.460 -4.768 9 HE ARG 76 HE ARG 76 2.203 -6.898 -6.205 10 HH11 ARG 76 HH11 ARG 76 -0.488 -9.111 -6.553 11 HH12 ARG 76 HH12 ARG 76 -0.945 -8.508 -8.123 12 HH21 ARG 76 HH21 ARG 76 1.642 -6.128 -8.266 13 HH22 ARG 76 HH22 ARG 76 0.289 -6.825 -9.117 No H/Q in entry = 13 In of MODEL 12 1 H VAL 77 H VAL 77 3.894 -6.876 -0.758 2 HA VAL 77 HA VAL 77 5.745 -5.037 -2.119 3 HB VAL 77 HB VAL 77 5.176 -4.348 0.327 4 HG11 VAL 77 HG11 VAL 77 5.488 -6.566 1.318 5 HG12 VAL 77 HG12 VAL 77 7.188 -6.532 0.851 6 HG13 VAL 77 HG13 VAL 77 6.573 -5.371 2.029 7 HG21 VAL 77 HG21 VAL 77 6.916 -3.335 -1.042 8 HG22 VAL 77 HG22 VAL 77 7.433 -3.501 0.636 9 HG23 VAL 77 HG23 VAL 77 8.032 -4.623 -0.584 No H/Q in entry = 9 In of MODEL 12 1 H ASN 78 H ASN 78 7.614 -5.777 -2.711 2 HA ASN 78 HA ASN 78 8.509 -8.432 -1.782 3 HB2 ASN 78 HB2 ASN 78 7.373 -8.481 -4.078 4 HB3 ASN 78 HB3 ASN 78 8.770 -7.581 -4.665 5 HD21 ASN 78 HD21 ASN 78 9.289 -9.306 -6.045 6 HD22 ASN 78 HD22 ASN 78 10.029 -10.758 -5.445 No H/Q in entry = 6 In of MODEL 12 1 H HIS 79 H HIS 79 10.665 -8.767 -1.629 2 HA HIS 79 HA HIS 79 12.501 -6.661 -2.488 3 HB2 HIS 79 HB2 HIS 79 11.942 -6.278 -0.057 4 HB3 HIS 79 HB3 HIS 79 12.586 -7.872 0.296 5 HD2 HIS 79 HD2 HIS 79 13.813 -4.291 -0.499 6 HE1 HIS 79 HE1 HIS 79 17.174 -6.720 0.317 7 HE2 HIS 79 HE2 HIS 79 16.408 -4.418 -0.399 No H/Q in entry = 7 In of MODEL 12 1 H VAL 80 H VAL 80 14.771 -7.464 -2.471 2 HA VAL 80 HA VAL 80 15.134 -9.860 -3.777 3 HB VAL 80 HB VAL 80 17.166 -8.509 -1.992 4 HG11 VAL 80 HG11 VAL 80 17.554 -10.447 -4.276 5 HG12 VAL 80 HG12 VAL 80 18.843 -9.591 -3.430 6 HG13 VAL 80 HG13 VAL 80 17.856 -10.774 -2.568 7 HG21 VAL 80 HG21 VAL 80 16.584 -8.144 -4.928 8 HG22 VAL 80 HG22 VAL 80 16.260 -6.976 -3.648 9 HG23 VAL 80 HG23 VAL 80 17.923 -7.403 -4.052 No H/Q in entry = 9 In of MODEL 12 1 H THR 81 H THR 81 14.959 -9.330 -0.298 2 HA THR 81 HA THR 81 16.038 -11.875 0.435 3 HB THR 81 HB THR 81 16.077 -10.260 2.165 4 HG1 THR 81 HG1 THR 81 14.548 -11.257 3.756 5 HG21 THR 81 HG21 THR 81 14.295 -8.782 1.351 6 HG22 THR 81 HG22 THR 81 13.081 -9.960 1.853 7 HG23 THR 81 HG23 THR 81 14.080 -9.151 3.063 No H/Q in entry = 7 In of MODEL 12 1 H LEU 82 H LEU 82 12.632 -10.736 0.318 2 HA LEU 82 HA LEU 82 11.499 -13.277 0.728 3 HB2 LEU 82 HB2 LEU 82 10.235 -11.097 -0.930 4 HB3 LEU 82 HB3 LEU 82 9.435 -12.372 -0.023 5 HG LEU 82 HG LEU 82 10.965 -10.108 1.242 6 HD11 LEU 82 HD11 LEU 82 8.017 -10.503 0.832 7 HD12 LEU 82 HD12 LEU 82 8.748 -9.263 1.853 8 HD13 LEU 82 HD13 LEU 82 9.041 -9.257 0.115 9 HD21 LEU 82 HD21 LEU 82 10.872 -12.186 2.572 10 HD22 LEU 82 HD22 LEU 82 9.949 -10.875 3.306 11 HD23 LEU 82 HD23 LEU 82 9.113 -12.165 2.443 No H/Q in entry = 11 In of MODEL 12 1 H SER 83 H SER 83 10.629 -14.791 -0.704 2 HA SER 83 HA SER 83 11.600 -14.627 -3.497 3 HB2 SER 83 HB2 SER 83 12.392 -16.544 -2.000 4 HB3 SER 83 HB3 SER 83 10.729 -17.132 -2.033 5 HG SER 83 HG SER 83 12.037 -16.534 -4.454 No H/Q in entry = 5 In of MODEL 12 1 H GLN 84 H GLN 84 9.104 -13.817 -1.802 2 HA GLN 84 HA GLN 84 7.172 -14.083 -3.857 3 HB2 GLN 84 HB2 GLN 84 5.475 -15.359 -2.637 4 HB3 GLN 84 HB3 GLN 84 6.928 -16.322 -2.829 5 HG2 GLN 84 HG2 GLN 84 6.292 -14.806 -0.311 6 HG3 GLN 84 HG3 GLN 84 5.754 -16.458 -0.597 7 HE21 GLN 84 HE21 GLN 84 7.286 -18.118 -0.663 8 HE22 GLN 84 HE22 GLN 84 8.866 -17.919 0.025 No H/Q in entry = 8 In of MODEL 12 1 HA PRO 85 HA PRO 85 6.445 -10.255 -1.577 2 HB2 PRO 85 HB2 PRO 85 4.346 -9.364 -3.088 3 HB3 PRO 85 HB3 PRO 85 6.054 -9.082 -3.469 4 HG2 PRO 85 HG2 PRO 85 4.153 -11.090 -4.608 5 HG3 PRO 85 HG3 PRO 85 5.457 -10.188 -5.415 6 HD2 PRO 85 HD2 PRO 85 5.701 -12.838 -4.679 7 HD3 PRO 85 HD3 PRO 85 7.099 -11.711 -4.737 No H/Q in entry = 7 In of MODEL 12 1 H LYS 86 H LYS 86 4.783 -9.352 -0.307 2 HA LYS 86 HA LYS 86 2.780 -11.371 0.445 3 HB2 LYS 86 HB2 LYS 86 3.957 -9.206 2.203 4 HB3 LYS 86 HB3 LYS 86 2.843 -10.465 2.706 5 HG2 LYS 86 HG2 LYS 86 5.734 -10.724 1.939 6 HG3 LYS 86 HG3 LYS 86 4.962 -11.156 3.466 7 HD2 LYS 86 HD2 LYS 86 3.595 -12.785 1.835 8 HD3 LYS 86 HD3 LYS 86 5.076 -12.628 0.891 9 HE2 LYS 86 HE2 LYS 86 5.097 -14.586 2.409 10 HE3 LYS 86 HE3 LYS 86 6.403 -13.454 2.739 11 HZ1 LYS 86 HZ1 LYS 86 3.848 -13.590 4.254 12 HZ2 LYS 86 HZ2 LYS 86 5.323 -14.264 4.758 13 HZ3 LYS 86 HZ3 LYS 86 5.174 -12.584 4.600 No H/Q in entry = 13 In of MODEL 12 1 H ILE 87 H ILE 87 0.758 -10.709 1.056 2 HA ILE 87 HA ILE 87 0.006 -7.997 0.173 3 HB ILE 87 HB ILE 87 -1.327 -10.556 -0.346 4 HG12 ILE 87 HG12 ILE 87 -0.749 -9.324 -2.252 5 HG13 ILE 87 HG13 ILE 87 -2.469 -8.957 -2.078 6 HG21 ILE 87 HG21 ILE 87 -2.934 -8.263 0.742 7 HG22 ILE 87 HG22 ILE 87 -3.628 -9.533 -0.272 8 HG23 ILE 87 HG23 ILE 87 -2.918 -9.939 1.292 9 HD11 ILE 87 HD11 ILE 87 -0.244 -7.207 -1.092 10 HD12 ILE 87 HD12 ILE 87 -1.124 -6.987 -2.603 11 HD13 ILE 87 HD13 ILE 87 -1.970 -6.850 -1.064 No H/Q in entry = 11 In of MODEL 12 1 H VAL 88 H VAL 88 -0.823 -6.642 1.567 2 HA VAL 88 HA VAL 88 -1.742 -7.661 4.170 3 HB VAL 88 HB VAL 88 0.280 -6.326 4.439 4 HG11 VAL 88 HG11 VAL 88 0.143 -4.972 2.421 5 HG12 VAL 88 HG12 VAL 88 -1.206 -4.075 3.129 6 HG13 VAL 88 HG13 VAL 88 0.396 -3.981 3.862 7 HG21 VAL 88 HG21 VAL 88 -2.249 -5.012 5.374 8 HG22 VAL 88 HG22 VAL 88 -1.251 -6.178 6.242 9 HG23 VAL 88 HG23 VAL 88 -0.646 -4.546 5.947 No H/Q in entry = 9 In of MODEL 12 1 H LYS 89 H LYS 89 -3.860 -7.330 4.520 2 HA LYS 89 HA LYS 89 -5.193 -5.533 2.610 3 HB2 LYS 89 HB2 LYS 89 -6.483 -7.818 4.077 4 HB3 LYS 89 HB3 LYS 89 -7.111 -6.931 2.698 5 HG2 LYS 89 HG2 LYS 89 -5.830 -8.069 1.208 6 HG3 LYS 89 HG3 LYS 89 -4.540 -8.350 2.380 7 HD2 LYS 89 HD2 LYS 89 -7.235 -9.699 2.446 8 HD3 LYS 89 HD3 LYS 89 -5.777 -10.423 1.768 9 HE2 LYS 89 HE2 LYS 89 -4.700 -10.250 3.979 10 HE3 LYS 89 HE3 LYS 89 -6.186 -9.567 4.639 11 HZ1 LYS 89 HZ1 LYS 89 -7.321 -11.642 3.988 12 HZ2 LYS 89 HZ2 LYS 89 -5.820 -12.295 3.538 13 HZ3 LYS 89 HZ3 LYS 89 -6.109 -11.867 5.152 No H/Q in entry = 13 In of MODEL 12 1 H TRP 90 H TRP 90 -6.875 -4.218 3.358 2 HA TRP 90 HA TRP 90 -6.404 -3.339 6.075 3 HB2 TRP 90 HB2 TRP 90 -6.490 -1.651 4.296 4 HB3 TRP 90 HB3 TRP 90 -8.124 -2.157 3.890 5 HD1 TRP 90 HD1 TRP 90 -6.620 -1.098 7.347 6 HE1 TRP 90 HE1 TRP 90 -8.094 0.717 8.316 7 HE3 TRP 90 HE3 TRP 90 -9.957 -0.618 3.463 8 HZ2 TRP 90 HZ2 TRP 90 -10.434 2.161 7.591 9 HZ3 TRP 90 HZ3 TRP 90 -11.782 0.997 3.686 10 HH2 TRP 90 HH2 TRP 90 -12.025 2.375 5.684 No H/Q in entry = 10 In of MODEL 12 1 H ASP 91 H ASP 91 -7.644 -3.649 7.768 2 HA ASP 91 HA ASP 91 -9.652 -5.667 7.701 3 HB2 ASP 91 HB2 ASP 91 -9.826 -5.279 10.125 4 HB3 ASP 91 HB3 ASP 91 -8.144 -5.416 9.624 No H/Q in entry = 4 In of MODEL 12 1 H ARG 92 H ARG 92 -11.543 -5.248 6.761 2 HA ARG 92 HA ARG 92 -13.486 -3.667 7.968 3 HB2 ARG 92 HB2 ARG 92 -13.679 -1.728 6.615 4 HB3 ARG 92 HB3 ARG 92 -11.953 -1.881 6.935 5 HG2 ARG 92 HG2 ARG 92 -11.863 -1.402 4.731 6 HG3 ARG 92 HG3 ARG 92 -11.952 -3.174 4.631 7 HD2 ARG 92 HD2 ARG 92 -13.585 -1.497 3.203 8 HD3 ARG 92 HD3 ARG 92 -14.070 -3.115 3.728 9 HE ARG 92 HE ARG 92 -14.674 -1.126 5.686 10 HH11 ARG 92 HH11 ARG 92 -15.750 -2.513 2.658 11 HH12 ARG 92 HH12 ARG 92 -17.418 -2.152 2.940 12 HH21 ARG 92 HH21 ARG 92 -16.866 -0.627 6.052 13 HH22 ARG 92 HH22 ARG 92 -18.062 -1.076 4.867 No H/Q in entry = 13 In of MODEL 12 1 H ASP 93 H ASP 93 -12.413 -5.826 5.702 2 HA ASP 93 HA ASP 93 -14.988 -6.618 4.788 3 HB2 ASP 93 HB2 ASP 93 -14.489 -4.485 3.455 4 HB3 ASP 93 HB3 ASP 93 -13.248 -5.433 2.630 No H/Q in entry = 4 In of MODEL 12 1 HA MET 94 HA MET 94 -10.946 -8.931 3.338 2 HB2 MET 94 HB2 MET 94 -9.675 -9.801 5.661 3 HB3 MET 94 HB3 MET 94 -9.051 -8.651 4.485 4 HG2 MET 94 HG2 MET 94 -8.910 -7.898 6.867 5 HG3 MET 94 HG3 MET 94 -9.755 -6.769 5.805 6 HE1 MET 94 HE1 MET 94 -9.841 -9.058 8.889 7 HE2 MET 94 HE2 MET 94 -11.557 -9.347 9.170 8 HE3 MET 94 HE3 MET 94 -10.754 -10.083 7.779 No H/Q in entry = 8 In of MODEL 13 1 HA MET 1 HA MET 1 5.546 -7.510 6.185 2 HB2 MET 1 HB2 MET 1 5.179 -8.801 8.310 3 HB3 MET 1 HB3 MET 1 4.486 -7.350 9.018 4 HG2 MET 1 HG2 MET 1 2.685 -7.379 7.419 5 HG3 MET 1 HG3 MET 1 3.409 -8.748 6.580 6 HE1 MET 1 HE1 MET 1 3.679 -11.168 7.683 7 HE2 MET 1 HE2 MET 1 4.463 -10.458 9.094 8 HE3 MET 1 HE3 MET 1 3.111 -11.570 9.303 No H/Q in entry = 8 In of MODEL 13 1 H ILE 2 H ILE 2 3.626 -6.322 5.570 2 HA ILE 2 HA ILE 2 4.035 -3.462 5.929 3 HB ILE 2 HB ILE 2 1.799 -4.623 4.284 4 HG12 ILE 2 HG12 ILE 2 4.520 -4.342 3.040 5 HG13 ILE 2 HG13 ILE 2 4.069 -5.844 3.854 6 HG21 ILE 2 HG21 ILE 2 2.093 -2.168 4.536 7 HG22 ILE 2 HG22 ILE 2 3.636 -2.313 3.692 8 HG23 ILE 2 HG23 ILE 2 2.137 -2.735 2.868 9 HD11 ILE 2 HD11 ILE 2 2.110 -6.021 2.361 10 HD12 ILE 2 HD12 ILE 2 2.647 -4.567 1.522 11 HD13 ILE 2 HD13 ILE 2 3.641 -6.026 1.485 No H/Q in entry = 11 In of MODEL 13 1 H GLN 3 H GLN 3 2.472 -2.047 6.758 2 HA GLN 3 HA GLN 3 -0.004 -3.295 7.745 3 HB2 GLN 3 HB2 GLN 3 1.714 -1.265 9.180 4 HB3 GLN 3 HB3 GLN 3 0.065 -1.672 9.662 5 HG2 GLN 3 HG2 GLN 3 0.832 -4.088 9.872 6 HG3 GLN 3 HG3 GLN 3 2.494 -3.467 9.703 7 HE21 GLN 3 HE21 GLN 3 -0.136 -1.819 11.330 8 HE22 GLN 3 HE22 GLN 3 0.517 -1.939 12.928 No H/Q in entry = 8 In of MODEL 13 1 H VAL 4 H VAL 4 -1.621 -2.499 6.617 2 HA VAL 4 HA VAL 4 -1.420 0.144 5.422 3 HB VAL 4 HB VAL 4 -3.733 -0.539 4.438 4 HG11 VAL 4 HG11 VAL 4 -1.226 -2.057 3.698 5 HG12 VAL 4 HG12 VAL 4 -2.646 -1.862 2.673 6 HG13 VAL 4 HG13 VAL 4 -1.684 -0.455 3.122 7 HG21 VAL 4 HG21 VAL 4 -4.124 -2.374 6.021 8 HG22 VAL 4 HG22 VAL 4 -4.146 -2.929 4.347 9 HG23 VAL 4 HG23 VAL 4 -2.735 -3.232 5.358 No H/Q in entry = 9 In of MODEL 13 1 H TYR 5 H TYR 5 -3.062 1.703 5.596 2 HA TYR 5 HA TYR 5 -4.872 1.659 7.858 3 HB2 TYR 5 HB2 TYR 5 -2.367 3.328 7.800 4 HB3 TYR 5 HB3 TYR 5 -3.804 3.912 8.633 5 HD1 TYR 5 HD1 TYR 5 -0.778 2.688 9.354 6 HD2 TYR 5 HD2 TYR 5 -4.843 1.598 10.018 7 HE1 TYR 5 HE1 TYR 5 -0.107 1.424 11.361 8 HE2 TYR 5 HE2 TYR 5 -4.176 0.322 12.023 9 HH TYR 5 HH TYR 5 -2.259 -0.719 12.984 No H/Q in entry = 9 In of MODEL 13 1 H SER 6 H SER 6 -6.058 3.856 7.961 2 HA SER 6 HA SER 6 -5.852 5.308 5.420 3 HB2 SER 6 HB2 SER 6 -8.298 5.439 5.278 4 HB3 SER 6 HB3 SER 6 -7.877 3.716 5.456 5 HG SER 6 HG SER 6 -8.703 3.692 7.407 No H/Q in entry = 5 In of MODEL 13 1 H ARG 7 H ARG 7 -6.673 7.492 5.532 2 HA ARG 7 HA ARG 7 -5.983 8.735 8.075 3 HB2 ARG 7 HB2 ARG 7 -5.363 9.515 5.610 4 HB3 ARG 7 HB3 ARG 7 -6.919 10.338 5.710 5 HG2 ARG 7 HG2 ARG 7 -4.807 10.707 7.809 6 HG3 ARG 7 HG3 ARG 7 -4.825 11.656 6.325 7 HD2 ARG 7 HD2 ARG 7 -7.080 12.435 6.853 8 HD3 ARG 7 HD3 ARG 7 -7.066 11.482 8.335 9 HE ARG 7 HE ARG 7 -4.942 13.447 8.041 10 HH11 ARG 7 HH11 ARG 7 -8.081 12.666 9.391 11 HH12 ARG 7 HH12 ARG 7 -8.027 13.923 10.588 12 HH21 ARG 7 HH21 ARG 7 -4.875 15.131 9.587 13 HH22 ARG 7 HH22 ARG 7 -6.189 15.314 10.718 No H/Q in entry = 13 In of MODEL 13 1 H HIS 8 H HIS 8 -8.814 7.763 6.463 2 HA HIS 8 HA HIS 8 -10.460 9.651 8.009 3 HB2 HIS 8 HB2 HIS 8 -11.071 8.671 5.214 4 HB3 HIS 8 HB3 HIS 8 -11.939 9.905 6.119 5 HD2 HIS 8 HD2 HIS 8 -10.528 12.382 6.380 6 HE1 HIS 8 HE1 HIS 8 -7.941 11.479 3.155 7 HE2 HIS 8 HE2 HIS 8 -8.967 13.341 4.533 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 9 HA PRO 9 -12.943 6.089 9.070 2 HB2 PRO 9 HB2 PRO 9 -15.478 7.368 8.758 3 HB3 PRO 9 HB3 PRO 9 -14.590 7.061 10.257 4 HG2 PRO 9 HG2 PRO 9 -15.058 9.563 9.076 5 HG3 PRO 9 HG3 PRO 9 -13.900 9.213 10.367 6 HD2 PRO 9 HD2 PRO 9 -13.422 9.709 7.486 7 HD3 PRO 9 HD3 PRO 9 -12.331 9.894 8.876 No H/Q in entry = 7 In of MODEL 13 1 H ALA 10 H ALA 10 -13.492 4.378 7.831 2 HA ALA 10 HA ALA 10 -13.830 4.363 5.101 3 HB1 ALA 10 HB1 ALA 10 -14.682 2.088 5.367 4 HB2 ALA 10 HB2 ALA 10 -13.325 2.374 6.456 5 HB3 ALA 10 HB3 ALA 10 -14.973 2.388 7.078 No H/Q in entry = 5 In of MODEL 13 1 H GLU 11 H GLU 11 -15.379 5.774 4.175 2 HA GLU 11 HA GLU 11 -18.140 5.232 5.017 3 HB2 GLU 11 HB2 GLU 11 -16.794 7.637 3.932 4 HB3 GLU 11 HB3 GLU 11 -18.450 7.358 3.411 5 HG2 GLU 11 HG2 GLU 11 -17.532 7.518 6.273 6 HG3 GLU 11 HG3 GLU 11 -18.324 8.806 5.371 No H/Q in entry = 6 In of MODEL 13 1 H ASN 12 H ASN 12 -19.273 3.919 3.803 2 HA ASN 12 HA ASN 12 -18.405 2.908 1.306 3 HB2 ASN 12 HB2 ASN 12 -20.828 2.603 3.089 4 HB3 ASN 12 HB3 ASN 12 -20.923 1.939 1.469 5 HD21 ASN 12 HD21 ASN 12 -21.110 -0.143 2.366 6 HD22 ASN 12 HD22 ASN 12 -19.743 -0.984 3.034 No H/Q in entry = 6 In of MODEL 13 1 H GLY 13 H GLY 13 -18.185 4.327 -0.267 2 HA2 GLY 13 HA2 GLY 13 -20.634 5.748 -1.158 3 HA3 GLY 13 HA3 GLY 13 -19.537 4.963 -2.283 No H/Q in entry = 3 In of MODEL 13 1 H LYS 14 H LYS 14 -17.675 6.510 0.122 2 HA LYS 14 HA LYS 14 -17.319 8.674 -1.866 3 HB2 LYS 14 HB2 LYS 14 -17.132 10.371 -0.207 4 HB3 LYS 14 HB3 LYS 14 -18.618 9.494 0.096 5 HG2 LYS 14 HG2 LYS 14 -17.809 9.768 2.199 6 HG3 LYS 14 HG3 LYS 14 -17.189 8.164 1.806 7 HD2 LYS 14 HD2 LYS 14 -15.442 9.427 2.870 8 HD3 LYS 14 HD3 LYS 14 -15.025 9.233 1.174 9 HE2 LYS 14 HE2 LYS 14 -14.608 11.509 2.162 10 HE3 LYS 14 HE3 LYS 14 -15.567 11.493 0.691 11 HZ1 LYS 14 HZ1 LYS 14 -17.575 11.610 2.163 12 HZ2 LYS 14 HZ2 LYS 14 -16.530 11.865 3.475 13 HZ3 LYS 14 HZ3 LYS 14 -16.580 12.981 2.205 No H/Q in entry = 13 In of MODEL 13 1 H SER 15 H SER 15 -15.328 9.532 -2.175 2 HA SER 15 HA SER 15 -13.239 7.611 -1.845 3 HB2 SER 15 HB2 SER 15 -11.943 9.346 -3.250 4 HB3 SER 15 HB3 SER 15 -13.335 8.538 -3.981 5 HG SER 15 HG SER 15 -13.383 10.803 -4.324 No H/Q in entry = 5 In of MODEL 13 1 H ASN 16 H ASN 16 -11.176 7.908 -1.124 2 HA ASN 16 HA ASN 16 -10.368 10.090 0.584 3 HB2 ASN 16 HB2 ASN 16 -10.594 7.330 1.826 4 HB3 ASN 16 HB3 ASN 16 -10.053 8.802 2.612 5 HD21 ASN 16 HD21 ASN 16 -11.557 10.229 3.408 6 HD22 ASN 16 HD22 ASN 16 -13.240 9.845 3.513 No H/Q in entry = 6 In of MODEL 13 1 H PHE 17 H PHE 17 -8.287 8.305 1.874 2 HA PHE 17 HA PHE 17 -6.841 7.479 -0.557 3 HB2 PHE 17 HB2 PHE 17 -5.894 9.258 1.673 4 HB3 PHE 17 HB3 PHE 17 -4.751 8.322 0.715 5 HD1 PHE 17 HD1 PHE 17 -5.939 8.475 -1.940 6 HD2 PHE 17 HD2 PHE 17 -5.516 11.470 1.050 7 HE1 PHE 17 HE1 PHE 17 -5.901 10.208 -3.692 8 HE2 PHE 17 HE2 PHE 17 -5.487 13.209 -0.690 9 HZ PHE 17 HZ PHE 17 -5.677 12.579 -3.063 No H/Q in entry = 9 In of MODEL 13 1 H LEU 18 H LEU 18 -5.745 5.574 -0.454 2 HA LEU 18 HA LEU 18 -5.779 4.105 2.086 3 HB2 LEU 18 HB2 LEU 18 -6.673 2.819 0.284 4 HB3 LEU 18 HB3 LEU 18 -5.329 3.233 -0.762 5 HG LEU 18 HG LEU 18 -3.818 1.797 0.539 6 HD11 LEU 18 HD11 LEU 18 -6.240 1.215 2.249 7 HD12 LEU 18 HD12 LEU 18 -4.725 0.317 2.294 8 HD13 LEU 18 HD13 LEU 18 -4.753 2.016 2.757 9 HD21 LEU 18 HD21 LEU 18 -6.391 0.428 -0.248 10 HD22 LEU 18 HD22 LEU 18 -5.015 0.769 -1.296 11 HD23 LEU 18 HD23 LEU 18 -4.848 -0.379 0.031 No H/Q in entry = 11 In of MODEL 13 1 H ASN 19 H ASN 19 -4.025 3.910 3.281 2 HA ASN 19 HA ASN 19 -1.458 4.752 2.121 3 HB2 ASN 19 HB2 ASN 19 -2.401 4.757 5.001 4 HB3 ASN 19 HB3 ASN 19 -0.774 5.184 4.485 5 HD21 ASN 19 HD21 ASN 19 -2.762 6.775 5.886 6 HD22 ASN 19 HD22 ASN 19 -3.015 8.180 4.915 No H/Q in entry = 6 In of MODEL 13 1 H CYS 20 H CYS 20 0.040 3.215 1.798 2 HA CYS 20 HA CYS 20 -0.059 0.776 3.458 3 HB2 CYS 20 HB2 CYS 20 -0.355 0.135 1.190 4 HB3 CYS 20 HB3 CYS 20 0.854 1.281 0.603 No H/Q in entry = 4 In of MODEL 13 1 H TYR 21 H TYR 21 1.455 0.857 5.017 2 HA TYR 21 HA TYR 21 3.799 2.585 4.612 3 HB2 TYR 21 HB2 TYR 21 2.727 3.337 6.554 4 HB3 TYR 21 HB3 TYR 21 2.265 1.723 7.056 5 HD1 TYR 21 HD1 TYR 21 5.161 4.055 6.840 6 HD2 TYR 21 HD2 TYR 21 3.495 0.609 8.703 7 HE1 TYR 21 HE1 TYR 21 6.940 4.115 8.527 8 HE2 TYR 21 HE2 TYR 21 5.283 0.653 10.387 9 HH TYR 21 HH TYR 21 7.530 1.518 10.666 No H/Q in entry = 9 In of MODEL 13 1 H VAL 22 H VAL 22 5.448 1.539 3.750 2 HA VAL 22 HA VAL 22 6.043 -1.240 4.530 3 HB VAL 22 HB VAL 22 7.210 0.329 2.196 4 HG11 VAL 22 HG11 VAL 22 8.286 -1.806 2.974 5 HG12 VAL 22 HG12 VAL 22 6.816 -2.641 2.482 6 HG13 VAL 22 HG13 VAL 22 7.780 -1.774 1.281 7 HG21 VAL 22 HG21 VAL 22 4.686 -1.328 2.242 8 HG22 VAL 22 HG22 VAL 22 4.831 0.387 1.856 9 HG23 VAL 22 HG23 VAL 22 5.520 -0.826 0.769 No H/Q in entry = 9 In of MODEL 13 1 H SER 23 H SER 23 7.558 -1.301 6.193 2 HA SER 23 HA SER 23 9.489 0.927 6.326 3 HB2 SER 23 HB2 SER 23 9.220 0.851 8.790 4 HB3 SER 23 HB3 SER 23 7.708 1.187 7.959 5 HG SER 23 HG SER 23 8.350 -1.475 8.543 No H/Q in entry = 5 In of MODEL 13 1 H GLY 24 H GLY 24 11.580 0.565 6.941 2 HA2 GLY 24 HA2 GLY 24 12.420 -2.101 7.831 3 HA3 GLY 24 HA3 GLY 24 13.428 -0.657 7.774 No H/Q in entry = 3 In of MODEL 13 1 H PHE 25 H PHE 25 11.691 -0.934 4.973 2 HA PHE 25 HA PHE 25 13.627 -2.687 3.650 3 HB2 PHE 25 HB2 PHE 25 11.053 -1.564 2.579 4 HB3 PHE 25 HB3 PHE 25 12.009 -2.869 1.910 5 HD1 PHE 25 HD1 PHE 25 9.356 -2.038 4.179 6 HD2 PHE 25 HD2 PHE 25 12.239 -5.036 3.244 7 HE1 PHE 25 HE1 PHE 25 8.035 -3.699 5.449 8 HE2 PHE 25 HE2 PHE 25 10.922 -6.699 4.506 9 HZ PHE 25 HZ PHE 25 8.812 -6.020 5.577 No H/Q in entry = 9 In of MODEL 13 1 H HIS 26 H HIS 26 14.825 -2.003 1.873 2 HA HIS 26 HA HIS 26 15.406 0.832 2.018 3 HB2 HIS 26 HB2 HIS 26 16.934 -1.036 0.245 4 HB3 HIS 26 HB3 HIS 26 17.515 0.318 1.222 5 HD2 HIS 26 HD2 HIS 26 18.009 -0.284 3.944 6 HE1 HIS 26 HE1 HIS 26 17.513 -4.455 3.450 7 HE2 HIS 26 HE2 HIS 26 18.004 -2.598 5.103 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 27 HA PRO 27 12.443 1.770 -1.070 2 HB2 PRO 27 HB2 PRO 27 14.333 4.032 -1.572 3 HB3 PRO 27 HB3 PRO 27 12.584 4.071 -1.323 4 HG2 PRO 27 HG2 PRO 27 14.278 4.756 0.625 5 HG3 PRO 27 HG3 PRO 27 12.772 3.864 0.980 6 HD2 PRO 27 HD2 PRO 27 15.603 2.924 0.966 7 HD3 PRO 27 HD3 PRO 27 14.221 2.345 1.920 No H/Q in entry = 7 In of MODEL 13 1 H SER 28 H SER 28 15.854 1.846 -2.032 2 HA SER 28 HA SER 28 15.403 2.366 -4.749 3 HB2 SER 28 HB2 SER 28 17.770 1.332 -4.949 4 HB3 SER 28 HB3 SER 28 17.578 2.818 -4.003 5 HG SER 28 HG SER 28 18.043 0.169 -3.154 No H/Q in entry = 5 In of MODEL 13 1 H ASP 29 H ASP 29 15.582 -0.746 -3.030 2 HA ASP 29 HA ASP 29 15.227 -2.069 -5.646 3 HB2 ASP 29 HB2 ASP 29 16.512 -3.218 -3.157 4 HB3 ASP 29 HB3 ASP 29 16.351 -4.024 -4.713 No H/Q in entry = 4 In of MODEL 13 1 H ILE 30 H ILE 30 12.861 -1.221 -4.143 2 HA ILE 30 HA ILE 30 11.822 -3.933 -3.717 3 HB ILE 30 HB ILE 30 10.806 -3.547 -1.753 4 HG12 ILE 30 HG12 ILE 30 10.621 -0.561 -2.213 5 HG13 ILE 30 HG13 ILE 30 9.365 -1.731 -2.627 6 HG21 ILE 30 HG21 ILE 30 13.005 -1.499 -1.652 7 HG22 ILE 30 HG22 ILE 30 12.141 -2.100 -0.237 8 HG23 ILE 30 HG23 ILE 30 13.104 -3.203 -1.216 9 HD11 ILE 30 HD11 ILE 30 9.469 -2.460 -0.198 10 HD12 ILE 30 HD12 ILE 30 10.369 -0.967 0.081 11 HD13 ILE 30 HD13 ILE 30 8.722 -0.894 -0.553 No H/Q in entry = 11 In of MODEL 13 1 H GLU 31 H GLU 31 9.462 -4.120 -3.862 2 HA GLU 31 HA GLU 31 8.332 -2.182 -5.730 3 HB2 GLU 31 HB2 GLU 31 9.261 -4.762 -6.165 4 HB3 GLU 31 HB3 GLU 31 7.524 -4.876 -6.193 5 HG2 GLU 31 HG2 GLU 31 9.227 -3.017 -7.862 6 HG3 GLU 31 HG3 GLU 31 8.453 -4.492 -8.443 No H/Q in entry = 6 In of MODEL 13 1 H VAL 32 H VAL 32 6.447 -1.527 -5.038 2 HA VAL 32 HA VAL 32 4.732 -3.231 -3.380 3 HB VAL 32 HB VAL 32 5.288 -2.124 -1.477 4 HG11 VAL 32 HG11 VAL 32 7.290 -1.220 -2.636 5 HG12 VAL 32 HG12 VAL 32 6.352 0.215 -3.046 6 HG13 VAL 32 HG13 VAL 32 6.667 -0.185 -1.354 7 HG21 VAL 32 HG21 VAL 32 3.095 -1.136 -1.965 8 HG22 VAL 32 HG22 VAL 32 4.125 -0.060 -1.025 9 HG23 VAL 32 HG23 VAL 32 3.893 0.225 -2.750 No H/Q in entry = 9 In of MODEL 13 1 H ASP 33 H ASP 33 2.559 -3.006 -3.763 2 HA ASP 33 HA ASP 33 1.675 -0.710 -5.389 3 HB2 ASP 33 HB2 ASP 33 1.047 -3.642 -5.983 4 HB3 ASP 33 HB3 ASP 33 0.212 -2.275 -6.729 No H/Q in entry = 4 In of MODEL 13 1 H LEU 34 H LEU 34 -0.712 -0.532 -5.399 2 HA LEU 34 HA LEU 34 -1.880 -1.498 -2.870 3 HB2 LEU 34 HB2 LEU 34 -2.279 1.012 -4.440 4 HB3 LEU 34 HB3 LEU 34 -3.634 0.385 -3.526 5 HG LEU 34 HG LEU 34 -2.199 0.462 -1.465 6 HD11 LEU 34 HD11 LEU 34 -0.338 2.034 -3.239 7 HD12 LEU 34 HD12 LEU 34 -0.220 1.892 -1.483 8 HD13 LEU 34 HD13 LEU 34 0.000 0.467 -2.501 9 HD21 LEU 34 HD21 LEU 34 -3.840 2.179 -1.934 10 HD22 LEU 34 HD22 LEU 34 -2.414 2.866 -1.159 11 HD23 LEU 34 HD23 LEU 34 -2.656 3.066 -2.893 No H/Q in entry = 11 In of MODEL 13 1 H LEU 35 H LEU 35 -3.591 -2.859 -2.965 2 HA LEU 35 HA LEU 35 -4.588 -3.562 -5.648 3 HB2 LEU 35 HB2 LEU 35 -4.135 -5.473 -3.351 4 HB3 LEU 35 HB3 LEU 35 -4.684 -5.872 -4.959 5 HG LEU 35 HG LEU 35 -1.935 -5.184 -4.014 6 HD11 LEU 35 HD11 LEU 35 -3.226 -7.379 -5.622 7 HD12 LEU 35 HD12 LEU 35 -1.485 -7.212 -5.446 8 HD13 LEU 35 HD13 LEU 35 -2.492 -7.500 -4.020 9 HD21 LEU 35 HD21 LEU 35 -2.420 -3.736 -6.002 10 HD22 LEU 35 HD22 LEU 35 -1.135 -4.916 -6.248 11 HD23 LEU 35 HD23 LEU 35 -2.735 -5.205 -6.921 No H/Q in entry = 11 In of MODEL 13 1 H LYS 36 H LYS 36 -6.559 -4.784 -5.688 2 HA LYS 36 HA LYS 36 -8.363 -4.508 -3.382 3 HB2 LYS 36 HB2 LYS 36 -9.456 -4.963 -6.125 4 HB3 LYS 36 HB3 LYS 36 -10.182 -4.094 -4.758 5 HG2 LYS 36 HG2 LYS 36 -8.715 -2.207 -5.201 6 HG3 LYS 36 HG3 LYS 36 -7.910 -3.084 -6.492 7 HD2 LYS 36 HD2 LYS 36 -9.507 -1.465 -7.410 8 HD3 LYS 36 HD3 LYS 36 -9.970 -3.119 -7.824 9 HE2 LYS 36 HE2 LYS 36 -11.935 -1.731 -7.175 10 HE3 LYS 36 HE3 LYS 36 -11.703 -3.052 -6.045 11 HZ1 LYS 36 HZ1 LYS 36 -10.523 -0.407 -5.491 12 HZ2 LYS 36 HZ2 LYS 36 -12.164 -0.693 -5.180 13 HZ3 LYS 36 HZ3 LYS 36 -10.990 -1.632 -4.402 No H/Q in entry = 13 In of MODEL 13 1 H ASN 37 H ASN 37 -8.535 -6.504 -2.501 2 HA ASN 37 HA ASN 37 -8.059 -8.757 -2.329 3 HB2 ASN 37 HB2 ASN 37 -9.998 -9.517 -4.305 4 HB3 ASN 37 HB3 ASN 37 -10.185 -9.600 -2.581 5 HD21 ASN 37 HD21 ASN 37 -10.482 -7.456 -5.380 6 HD22 ASN 37 HD22 ASN 37 -11.713 -6.442 -4.692 No H/Q in entry = 6 In of MODEL 13 1 H GLY 38 H GLY 38 -6.001 -8.081 -3.680 2 HA2 GLY 38 HA2 GLY 38 -5.527 -10.231 -5.477 3 HA3 GLY 38 HA3 GLY 38 -4.381 -8.980 -5.065 No H/Q in entry = 3 In of MODEL 13 1 H GLU 39 H GLU 39 -6.326 -6.858 -6.105 2 HA GLU 39 HA GLU 39 -5.711 -7.295 -8.953 3 HB2 GLU 39 HB2 GLU 39 -8.139 -7.611 -8.547 4 HB3 GLU 39 HB3 GLU 39 -8.227 -5.993 -7.868 5 HG2 GLU 39 HG2 GLU 39 -9.058 -6.122 -10.206 6 HG3 GLU 39 HG3 GLU 39 -7.705 -5.004 -9.998 No H/Q in entry = 6 In of MODEL 13 1 H ARG 40 H ARG 40 -4.417 -5.763 -9.717 2 HA ARG 40 HA ARG 40 -3.480 -3.643 -8.126 3 HB2 ARG 40 HB2 ARG 40 -2.629 -4.838 -10.460 4 HB3 ARG 40 HB3 ARG 40 -3.161 -3.272 -11.052 5 HG2 ARG 40 HG2 ARG 40 -1.679 -2.184 -9.398 6 HG3 ARG 40 HG3 ARG 40 -1.100 -3.773 -8.906 7 HD2 ARG 40 HD2 ARG 40 0.550 -3.150 -10.371 8 HD3 ARG 40 HD3 ARG 40 -0.520 -4.007 -11.480 9 HE ARG 40 HE ARG 40 -1.243 -1.912 -12.353 10 HH11 ARG 40 HH11 ARG 40 1.321 -1.609 -9.956 11 HH12 ARG 40 HH12 ARG 40 1.839 -0.055 -10.533 12 HH21 ARG 40 HH21 ARG 40 -0.525 0.116 -13.119 13 HH22 ARG 40 HH22 ARG 40 0.781 0.937 -12.311 No H/Q in entry = 13 In of MODEL 13 1 H ILE 41 H ILE 41 -4.372 -1.816 -7.603 2 HA ILE 41 HA ILE 41 -6.813 -0.885 -8.623 3 HB ILE 41 HB ILE 41 -4.747 0.553 -6.955 4 HG12 ILE 41 HG12 ILE 41 -7.246 -0.951 -6.160 5 HG13 ILE 41 HG13 ILE 41 -5.604 -1.561 -5.984 6 HG21 ILE 41 HG21 ILE 41 -7.649 1.227 -7.455 7 HG22 ILE 41 HG22 ILE 41 -6.607 2.026 -6.279 8 HG23 ILE 41 HG23 ILE 41 -6.255 2.150 -8.003 9 HD11 ILE 41 HD11 ILE 41 -6.457 0.976 -4.660 10 HD12 ILE 41 HD12 ILE 41 -6.770 -0.610 -3.942 11 HD13 ILE 41 HD13 ILE 41 -5.112 -0.107 -4.275 No H/Q in entry = 11 In of MODEL 13 1 H GLU 42 H GLU 42 -3.872 1.114 -8.617 2 HA GLU 42 HA GLU 42 -2.485 1.112 -10.675 3 HB2 GLU 42 HB2 GLU 42 -5.166 1.650 -11.954 4 HB3 GLU 42 HB3 GLU 42 -3.636 1.976 -12.750 5 HG2 GLU 42 HG2 GLU 42 -3.889 -0.744 -11.700 6 HG3 GLU 42 HG3 GLU 42 -5.058 -0.319 -12.945 No H/Q in entry = 6 In of MODEL 13 1 H LYS 43 H LYS 43 -4.945 3.226 -9.313 2 HA LYS 43 HA LYS 43 -3.761 5.619 -10.424 3 HB2 LYS 43 HB2 LYS 43 -5.762 5.450 -8.167 4 HB3 LYS 43 HB3 LYS 43 -5.459 6.807 -9.240 5 HG2 LYS 43 HG2 LYS 43 -6.894 4.230 -9.884 6 HG3 LYS 43 HG3 LYS 43 -7.539 5.873 -9.893 7 HD2 LYS 43 HD2 LYS 43 -5.884 6.372 -11.744 8 HD3 LYS 43 HD3 LYS 43 -5.586 4.634 -11.816 9 HE2 LYS 43 HE2 LYS 43 -7.974 4.252 -12.253 10 HE3 LYS 43 HE3 LYS 43 -8.258 5.992 -12.207 11 HZ1 LYS 43 HZ1 LYS 43 -6.670 6.187 -14.094 12 HZ2 LYS 43 HZ2 LYS 43 -6.627 4.491 -14.183 13 HZ3 LYS 43 HZ3 LYS 43 -8.076 5.319 -14.469 No H/Q in entry = 13 In of MODEL 13 1 H VAL 44 H VAL 44 -1.678 4.501 -9.275 2 HA VAL 44 HA VAL 44 -1.481 5.708 -6.612 3 HB VAL 44 HB VAL 44 -1.480 2.947 -7.032 4 HG11 VAL 44 HG11 VAL 44 0.765 2.994 -7.953 5 HG12 VAL 44 HG12 VAL 44 1.334 3.843 -6.516 6 HG13 VAL 44 HG13 VAL 44 0.741 2.187 -6.382 7 HG21 VAL 44 HG21 VAL 44 -2.042 4.109 -4.973 8 HG22 VAL 44 HG22 VAL 44 -0.893 2.801 -4.689 9 HG23 VAL 44 HG23 VAL 44 -0.337 4.476 -4.714 No H/Q in entry = 9 In of MODEL 13 1 H GLU 45 H GLU 45 0.245 6.949 -6.353 2 HA GLU 45 HA GLU 45 2.463 6.760 -8.273 3 HB2 GLU 45 HB2 GLU 45 0.753 9.211 -7.815 4 HB3 GLU 45 HB3 GLU 45 2.342 9.278 -8.559 5 HG2 GLU 45 HG2 GLU 45 0.122 7.583 -9.656 6 HG3 GLU 45 HG3 GLU 45 0.341 9.273 -10.108 No H/Q in entry = 6 In of MODEL 13 1 H HIS 46 H HIS 46 4.104 6.389 -6.819 2 HA HIS 46 HA HIS 46 4.885 8.704 -5.275 3 HB2 HIS 46 HB2 HIS 46 3.604 7.643 -3.574 4 HB3 HIS 46 HB3 HIS 46 4.187 6.050 -4.030 5 HD2 HIS 46 HD2 HIS 46 5.807 9.300 -2.423 6 HE1 HIS 46 HE1 HIS 46 7.738 5.800 -1.042 7 HE2 HIS 46 HE2 HIS 46 7.788 8.321 -1.049 No H/Q in entry = 7 In of MODEL 13 1 H SER 47 H SER 47 7.014 8.914 -5.167 2 HA SER 47 HA SER 47 8.775 6.630 -5.102 3 HB2 SER 47 HB2 SER 47 8.931 8.563 -7.433 4 HB3 SER 47 HB3 SER 47 10.167 7.372 -7.032 5 HG SER 47 HG SER 47 7.662 6.290 -7.200 No H/Q in entry = 5 In of MODEL 13 1 H ASP 48 H ASP 48 10.349 7.122 -3.638 2 HA ASP 48 HA ASP 48 11.550 9.760 -3.825 3 HB2 ASP 48 HB2 ASP 48 11.668 10.066 -1.384 4 HB3 ASP 48 HB3 ASP 48 10.017 10.094 -1.976 No H/Q in entry = 4 In of MODEL 13 1 H LEU 49 H LEU 49 13.618 9.811 -2.530 2 HA LEU 49 HA LEU 49 15.771 9.166 -2.678 3 HB2 LEU 49 HB2 LEU 49 14.561 6.487 -1.963 4 HB3 LEU 49 HB3 LEU 49 16.286 6.727 -2.231 5 HG LEU 49 HG LEU 49 16.490 8.177 -0.312 6 HD11 LEU 49 HD11 LEU 49 14.283 9.357 -0.652 7 HD12 LEU 49 HD12 LEU 49 13.525 8.009 0.209 8 HD13 LEU 49 HD13 LEU 49 14.725 9.012 1.021 9 HD21 LEU 49 HD21 LEU 49 14.784 5.773 0.338 10 HD22 LEU 49 HD22 LEU 49 16.546 5.914 0.441 11 HD23 LEU 49 HD23 LEU 49 15.520 6.800 1.567 No H/Q in entry = 11 In of MODEL 13 1 H SER 50 H SER 50 16.865 9.192 -4.500 2 HA SER 50 HA SER 50 15.612 8.035 -6.862 3 HB2 SER 50 HB2 SER 50 16.450 10.399 -6.853 4 HB3 SER 50 HB3 SER 50 18.087 9.770 -6.681 5 HG SER 50 HG SER 50 17.596 10.206 -8.855 No H/Q in entry = 5 In of MODEL 13 1 H PHE 51 H PHE 51 18.860 8.101 -5.420 2 HA PHE 51 HA PHE 51 19.214 5.329 -5.428 3 HB2 PHE 51 HB2 PHE 51 19.584 6.368 -7.988 4 HB3 PHE 51 HB3 PHE 51 21.218 6.232 -7.345 5 HD1 PHE 51 HD1 PHE 51 21.965 3.999 -6.434 6 HD2 PHE 51 HD2 PHE 51 18.416 4.485 -8.724 7 HE1 PHE 51 HE1 PHE 51 21.944 1.585 -6.903 8 HE2 PHE 51 HE2 PHE 51 18.386 2.071 -9.198 9 HZ PHE 51 HZ PHE 51 20.152 0.619 -8.285 No H/Q in entry = 9 In of MODEL 13 1 H SER 52 H SER 52 21.495 4.765 -4.853 2 HA SER 52 HA SER 52 23.302 5.010 -3.502 3 HB2 SER 52 HB2 SER 52 23.154 7.940 -4.275 4 HB3 SER 52 HB3 SER 52 24.519 7.151 -3.486 5 HG SER 52 HG SER 52 24.275 5.655 -5.472 No H/Q in entry = 5 In of MODEL 13 1 H LYS 53 H LYS 53 20.429 5.598 -2.768 2 HA LYS 53 HA LYS 53 20.964 6.451 -0.020 3 HB2 LYS 53 HB2 LYS 53 18.659 7.452 -1.719 4 HB3 LYS 53 HB3 LYS 53 18.824 7.720 0.010 5 HG2 LYS 53 HG2 LYS 53 20.727 8.730 -2.096 6 HG3 LYS 53 HG3 LYS 53 19.462 9.678 -1.316 7 HD2 LYS 53 HD2 LYS 53 20.540 9.359 0.848 8 HD3 LYS 53 HD3 LYS 53 21.787 8.365 0.090 9 HE2 LYS 53 HE2 LYS 53 22.453 10.293 -1.284 10 HE3 LYS 53 HE3 LYS 53 21.237 11.275 -0.473 11 HZ1 LYS 53 HZ1 LYS 53 23.524 9.949 0.882 12 HZ2 LYS 53 HZ2 LYS 53 23.470 11.584 0.437 13 HZ3 LYS 53 HZ3 LYS 53 22.393 10.990 1.603 No H/Q in entry = 13 In of MODEL 13 1 H ASP 54 H ASP 54 20.800 4.316 0.642 2 HA ASP 54 HA ASP 54 18.352 2.866 -0.079 3 HB2 ASP 54 HB2 ASP 54 19.539 0.854 0.719 4 HB3 ASP 54 HB3 ASP 54 20.435 1.678 -0.553 No H/Q in entry = 4 In of MODEL 13 1 H TRP 55 H TRP 55 19.207 4.947 2.153 2 HA TRP 55 HA TRP 55 18.655 3.741 4.621 3 HB2 TRP 55 HB2 TRP 55 19.609 6.072 4.159 4 HB3 TRP 55 HB3 TRP 55 17.939 6.583 3.953 5 HD1 TRP 55 HD1 TRP 55 18.446 8.223 6.102 6 HE1 TRP 55 HE1 TRP 55 18.272 7.762 8.594 7 HE3 TRP 55 HE3 TRP 55 18.450 3.058 5.977 8 HZ2 TRP 55 HZ2 TRP 55 18.126 5.483 10.335 9 HZ3 TRP 55 HZ3 TRP 55 18.282 1.844 8.082 10 HH2 TRP 55 HH2 TRP 55 18.125 3.018 10.228 No H/Q in entry = 10 In of MODEL 13 1 H SER 56 H SER 56 16.960 2.631 5.061 2 HA SER 56 HA SER 56 14.396 3.167 3.822 3 HB2 SER 56 HB2 SER 56 13.895 0.974 5.114 4 HB3 SER 56 HB3 SER 56 14.987 0.910 3.729 5 HG SER 56 HG SER 56 15.700 -0.174 5.730 No H/Q in entry = 5 In of MODEL 13 1 H PHE 57 H PHE 57 13.201 4.859 5.036 2 HA PHE 57 HA PHE 57 12.918 4.162 7.848 3 HB2 PHE 57 HB2 PHE 57 12.466 6.734 8.073 4 HB3 PHE 57 HB3 PHE 57 14.112 6.117 8.045 5 HD1 PHE 57 HD1 PHE 57 15.544 6.461 6.099 6 HD2 PHE 57 HD2 PHE 57 11.625 8.111 6.280 7 HE1 PHE 57 HE1 PHE 57 16.106 7.991 4.254 8 HE2 PHE 57 HE2 PHE 57 12.180 9.636 4.432 9 HZ PHE 57 HZ PHE 57 14.424 9.579 3.419 No H/Q in entry = 9 In of MODEL 13 1 H TYR 58 H TYR 58 11.200 6.611 5.876 2 HA TYR 58 HA TYR 58 8.723 5.144 6.477 3 HB2 TYR 58 HB2 TYR 58 9.055 7.354 7.622 4 HB3 TYR 58 HB3 TYR 58 9.042 8.125 6.043 5 HD1 TYR 58 HD1 TYR 58 6.981 6.320 8.524 6 HD2 TYR 58 HD2 TYR 58 6.932 8.503 4.863 7 HE1 TYR 58 HE1 TYR 58 4.522 6.501 8.671 8 HE2 TYR 58 HE2 TYR 58 4.466 8.685 5.003 9 HH TYR 58 HH TYR 58 2.748 7.924 7.850 No H/Q in entry = 9 In of MODEL 13 1 H LEU 59 H LEU 59 8.362 3.995 4.645 2 HA LEU 59 HA LEU 59 8.173 5.413 2.074 3 HB2 LEU 59 HB2 LEU 59 8.505 2.556 2.902 4 HB3 LEU 59 HB3 LEU 59 7.757 2.905 1.362 5 HG LEU 59 HG LEU 59 10.481 4.003 2.038 6 HD11 LEU 59 HD11 LEU 59 10.496 1.551 2.387 7 HD12 LEU 59 HD12 LEU 59 9.873 1.333 0.751 8 HD13 LEU 59 HD13 LEU 59 11.460 2.047 1.005 9 HD21 LEU 59 HD21 LEU 59 8.974 3.383 -0.498 10 HD22 LEU 59 HD22 LEU 59 9.401 4.978 0.121 11 HD23 LEU 59 HD23 LEU 59 10.664 3.887 -0.444 No H/Q in entry = 11 In of MODEL 13 1 H LEU 60 H LEU 60 6.165 5.999 1.390 2 HA LEU 60 HA LEU 60 3.883 4.298 2.044 3 HB2 LEU 60 HB2 LEU 60 3.958 5.913 3.823 4 HB3 LEU 60 HB3 LEU 60 4.160 7.223 2.683 5 HG LEU 60 HG LEU 60 1.850 6.712 1.828 6 HD11 LEU 60 HD11 LEU 60 1.730 4.414 2.656 7 HD12 LEU 60 HD12 LEU 60 1.750 5.016 4.313 8 HD13 LEU 60 HD13 LEU 60 0.391 5.394 3.256 9 HD21 LEU 60 HD21 LEU 60 2.295 8.564 3.357 10 HD22 LEU 60 HD22 LEU 60 0.731 7.820 3.696 11 HD23 LEU 60 HD23 LEU 60 2.114 7.477 4.733 No H/Q in entry = 11 In of MODEL 13 1 H TYR 61 H TYR 61 2.278 4.334 0.520 2 HA TYR 61 HA TYR 61 2.691 6.046 -1.846 3 HB2 TYR 61 HB2 TYR 61 1.869 3.111 -1.713 4 HB3 TYR 61 HB3 TYR 61 1.706 4.088 -3.180 5 HD1 TYR 61 HD1 TYR 61 3.454 4.114 -4.706 6 HD2 TYR 61 HD2 TYR 61 4.338 3.030 -0.685 7 HE1 TYR 61 HE1 TYR 61 5.756 3.577 -5.370 8 HE2 TYR 61 HE2 TYR 61 6.660 2.500 -1.350 9 HH TYR 61 HH TYR 61 7.982 3.419 -4.304 No H/Q in entry = 9 In of MODEL 13 1 H TYR 62 H TYR 62 0.562 6.446 -3.066 2 HA TYR 62 HA TYR 62 -1.730 6.157 -1.288 3 HB2 TYR 62 HB2 TYR 62 -2.356 8.582 -1.621 4 HB3 TYR 62 HB3 TYR 62 -1.017 8.256 -0.539 5 HD1 TYR 62 HD1 TYR 62 -1.776 9.350 -4.031 6 HD2 TYR 62 HD2 TYR 62 1.020 9.386 -0.822 7 HE1 TYR 62 HE1 TYR 62 -0.432 11.018 -5.233 8 HE2 TYR 62 HE2 TYR 62 2.373 11.059 -2.017 9 HH TYR 62 HH TYR 62 1.219 12.723 -4.784 No H/Q in entry = 9 In of MODEL 13 1 H THR 63 H THR 63 -3.686 5.939 -2.239 2 HA THR 63 HA THR 63 -4.027 6.552 -5.090 3 HB THR 63 HB THR 63 -3.318 4.064 -4.662 4 HG1 THR 63 HG1 THR 63 -4.411 5.139 -6.576 5 HG21 THR 63 HG21 THR 63 -4.948 3.614 -2.866 6 HG22 THR 63 HG22 THR 63 -6.254 3.919 -4.008 7 HG23 THR 63 HG23 THR 63 -5.174 2.550 -4.253 No H/Q in entry = 7 In of MODEL 13 1 H GLU 64 H GLU 64 -6.153 7.069 -5.628 2 HA GLU 64 HA GLU 64 -8.020 7.800 -3.643 3 HB2 GLU 64 HB2 GLU 64 -7.676 8.497 -6.203 4 HB3 GLU 64 HB3 GLU 64 -8.865 7.226 -6.455 5 HG2 GLU 64 HG2 GLU 64 -10.065 9.268 -6.338 6 HG3 GLU 64 HG3 GLU 64 -10.374 8.387 -4.842 No H/Q in entry = 6 In of MODEL 13 1 H PHE 65 H PHE 65 -9.758 6.637 -2.731 2 HA PHE 65 HA PHE 65 -10.472 4.115 -4.047 3 HB2 PHE 65 HB2 PHE 65 -10.471 2.883 -2.011 4 HB3 PHE 65 HB3 PHE 65 -8.949 3.738 -2.105 5 HD1 PHE 65 HD1 PHE 65 -8.152 4.359 -0.090 6 HD2 PHE 65 HD2 PHE 65 -12.342 4.590 -0.768 7 HE1 PHE 65 HE1 PHE 65 -8.481 5.221 2.200 8 HE2 PHE 65 HE2 PHE 65 -12.664 5.465 1.507 9 HZ PHE 65 HZ PHE 65 -10.746 5.784 2.998 No H/Q in entry = 9 In of MODEL 13 1 H THR 66 H THR 66 -12.604 3.370 -3.721 2 HA THR 66 HA THR 66 -14.310 4.949 -1.922 3 HB THR 66 HB THR 66 -15.139 3.936 -4.668 4 HG1 THR 66 HG1 THR 66 -13.872 6.202 -3.879 5 HG21 THR 66 HG21 THR 66 -16.588 5.632 -2.621 6 HG22 THR 66 HG22 THR 66 -17.151 5.321 -4.266 7 HG23 THR 66 HG23 THR 66 -17.005 3.991 -3.119 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 67 HA PRO 67 -14.730 0.626 -0.629 2 HB2 PRO 67 HB2 PRO 67 -16.137 1.311 1.723 3 HB3 PRO 67 HB3 PRO 67 -14.421 0.939 1.579 4 HG2 PRO 67 HG2 PRO 67 -15.590 3.472 2.167 5 HG3 PRO 67 HG3 PRO 67 -13.879 3.092 1.911 6 HD2 PRO 67 HD2 PRO 67 -15.768 4.417 0.131 7 HD3 PRO 67 HD3 PRO 67 -13.999 4.351 0.050 No H/Q in entry = 7 In of MODEL 13 1 H THR 68 H THR 68 -16.155 -0.830 -0.837 2 HA THR 68 HA THR 68 -19.029 -0.238 -0.837 3 HB THR 68 HB THR 68 -19.329 -1.747 -2.773 4 HG1 THR 68 HG1 THR 68 -17.565 -2.610 -3.837 5 HG21 THR 68 HG21 THR 68 -17.339 0.452 -3.332 6 HG22 THR 68 HG22 THR 68 -18.369 -0.328 -4.531 7 HG23 THR 68 HG23 THR 68 -19.091 0.636 -3.244 No H/Q in entry = 7 In of MODEL 13 1 H GLU 69 H GLU 69 -20.295 -2.167 -0.283 2 HA GLU 69 HA GLU 69 -19.253 -3.737 1.755 3 HB2 GLU 69 HB2 GLU 69 -21.588 -3.477 1.652 4 HB3 GLU 69 HB3 GLU 69 -21.697 -4.019 -0.010 5 HG2 GLU 69 HG2 GLU 69 -22.573 -5.778 1.218 6 HG3 GLU 69 HG3 GLU 69 -20.913 -6.280 0.881 No H/Q in entry = 6 In of MODEL 13 1 H LYS 70 H LYS 70 -18.379 -4.026 -1.460 2 HA LYS 70 HA LYS 70 -17.940 -6.899 -1.165 3 HB2 LYS 70 HB2 LYS 70 -18.261 -5.327 -3.714 4 HB3 LYS 70 HB3 LYS 70 -17.883 -7.038 -3.643 5 HG2 LYS 70 HG2 LYS 70 -20.376 -6.006 -2.332 6 HG3 LYS 70 HG3 LYS 70 -20.323 -6.272 -4.070 7 HD2 LYS 70 HD2 LYS 70 -21.235 -8.222 -2.987 8 HD3 LYS 70 HD3 LYS 70 -19.667 -8.614 -3.680 9 HE2 LYS 70 HE2 LYS 70 -18.632 -8.625 -1.548 10 HE3 LYS 70 HE3 LYS 70 -20.041 -7.888 -0.778 11 HZ1 LYS 70 HZ1 LYS 70 -19.981 -10.587 -2.018 12 HZ2 LYS 70 HZ2 LYS 70 -19.838 -10.279 -0.359 13 HZ3 LYS 70 HZ3 LYS 70 -21.277 -9.898 -1.171 No H/Q in entry = 13 In of MODEL 13 1 H ASP 71 H ASP 71 -16.124 -3.934 -1.697 2 HA ASP 71 HA ASP 71 -13.983 -5.524 -2.881 3 HB2 ASP 71 HB2 ASP 71 -14.611 -3.474 -4.076 4 HB3 ASP 71 HB3 ASP 71 -14.129 -2.518 -2.668 No H/Q in entry = 4 In of MODEL 13 1 H GLU 72 H GLU 72 -12.155 -5.971 -1.907 2 HA GLU 72 HA GLU 72 -11.579 -5.002 0.838 3 HB2 GLU 72 HB2 GLU 72 -11.805 -7.394 0.609 4 HB3 GLU 72 HB3 GLU 72 -10.739 -7.422 -0.782 5 HG2 GLU 72 HG2 GLU 72 -8.891 -6.679 0.758 6 HG3 GLU 72 HG3 GLU 72 -10.018 -6.941 2.073 No H/Q in entry = 6 In of MODEL 13 1 H TYR 73 H TYR 73 -9.527 -4.076 1.255 2 HA TYR 73 HA TYR 73 -8.016 -3.364 -1.183 3 HB2 TYR 73 HB2 TYR 73 -8.538 -1.716 1.298 4 HB3 TYR 73 HB3 TYR 73 -7.303 -1.301 0.122 5 HD1 TYR 73 HD1 TYR 73 -10.957 -1.952 0.429 6 HD2 TYR 73 HD2 TYR 73 -7.850 0.000 -1.724 7 HE1 TYR 73 HE1 TYR 73 -12.634 -0.751 -0.911 8 HE2 TYR 73 HE2 TYR 73 -9.524 1.213 -3.051 9 HH TYR 73 HH TYR 73 -12.863 1.213 -2.251 No H/Q in entry = 9 In of MODEL 13 1 H ALA 74 H ALA 74 -5.902 -3.838 -1.258 2 HA ALA 74 HA ALA 74 -4.544 -4.685 1.208 3 HB1 ALA 74 HB1 ALA 74 -5.353 -6.691 0.145 4 HB2 ALA 74 HB2 ALA 74 -4.679 -6.182 -1.409 5 HB3 ALA 74 HB3 ALA 74 -3.612 -6.594 -0.063 No H/Q in entry = 5 In of MODEL 13 1 H CYS 75 H CYS 75 -2.160 -4.675 1.018 2 HA CYS 75 HA CYS 75 -1.179 -3.262 -1.381 3 HB2 CYS 75 HB2 CYS 75 -1.045 -1.708 0.438 4 HB3 CYS 75 HB3 CYS 75 -0.285 -2.910 1.473 No H/Q in entry = 4 In of MODEL 13 1 H ARG 76 H ARG 76 0.448 -4.229 -2.457 2 HA ARG 76 HA ARG 76 1.448 -6.795 -1.420 3 HB2 ARG 76 HB2 ARG 76 0.134 -6.529 -3.626 4 HB3 ARG 76 HB3 ARG 76 1.614 -5.819 -4.261 5 HG2 ARG 76 HG2 ARG 76 2.771 -7.886 -4.050 6 HG3 ARG 76 HG3 ARG 76 1.501 -8.582 -3.040 7 HD2 ARG 76 HD2 ARG 76 1.344 -9.486 -5.335 8 HD3 ARG 76 HD3 ARG 76 -0.061 -8.492 -4.949 9 HE ARG 76 HE ARG 76 2.039 -7.003 -6.232 10 HH11 ARG 76 HH11 ARG 76 -0.691 -9.124 -6.798 11 HH12 ARG 76 HH12 ARG 76 -0.995 -8.531 -8.401 12 HH21 ARG 76 HH21 ARG 76 1.674 -6.229 -8.335 13 HH22 ARG 76 HH22 ARG 76 0.379 -6.884 -9.293 No H/Q in entry = 13 In of MODEL 13 1 H VAL 77 H VAL 77 3.632 -6.963 -0.927 2 HA VAL 77 HA VAL 77 5.436 -5.082 -2.295 3 HB VAL 77 HB VAL 77 4.941 -4.436 0.158 4 HG11 VAL 77 HG11 VAL 77 6.854 -6.712 0.643 5 HG12 VAL 77 HG12 VAL 77 6.359 -5.506 1.835 6 HG13 VAL 77 HG13 VAL 77 5.171 -6.626 1.168 7 HG21 VAL 77 HG21 VAL 77 6.728 -3.473 -1.231 8 HG22 VAL 77 HG22 VAL 77 7.174 -3.594 0.474 9 HG23 VAL 77 HG23 VAL 77 7.813 -4.761 -0.688 No H/Q in entry = 9 In of MODEL 13 1 H ASN 78 H ASN 78 7.242 -5.811 -3.034 2 HA ASN 78 HA ASN 78 8.144 -8.525 -2.308 3 HB2 ASN 78 HB2 ASN 78 6.757 -8.700 -4.351 4 HB3 ASN 78 HB3 ASN 78 7.812 -7.541 -5.153 5 HD21 ASN 78 HD21 ASN 78 8.359 -8.997 -6.756 6 HD22 ASN 78 HD22 ASN 78 9.426 -10.334 -6.460 No H/Q in entry = 6 In of MODEL 13 1 H HIS 79 H HIS 79 10.227 -8.780 -2.125 2 HA HIS 79 HA HIS 79 12.024 -6.699 -3.081 3 HB2 HIS 79 HB2 HIS 79 12.457 -8.217 -0.509 4 HB3 HIS 79 HB3 HIS 79 13.132 -6.709 -1.037 5 HD2 HIS 79 HD2 HIS 79 12.297 -4.711 0.389 6 HE1 HIS 79 HE1 HIS 79 8.394 -6.155 1.144 7 HE2 HIS 79 HE2 HIS 79 9.926 -4.150 1.314 No H/Q in entry = 7 In of MODEL 13 1 H VAL 80 H VAL 80 14.230 -7.586 -3.386 2 HA VAL 80 HA VAL 80 14.148 -10.117 -4.673 3 HB VAL 80 HB VAL 80 16.673 -8.637 -3.920 4 HG11 VAL 80 HG11 VAL 80 16.060 -10.556 -6.172 5 HG12 VAL 80 HG12 VAL 80 17.591 -9.712 -5.932 6 HG13 VAL 80 HG13 VAL 80 17.043 -10.902 -4.749 7 HG21 VAL 80 HG21 VAL 80 14.884 -8.248 -6.314 8 HG22 VAL 80 HG22 VAL 80 15.226 -7.078 -5.042 9 HG23 VAL 80 HG23 VAL 80 16.506 -7.574 -6.147 No H/Q in entry = 9 In of MODEL 13 1 H THR 81 H THR 81 14.321 -9.467 -1.421 2 HA THR 81 HA THR 81 15.988 -11.759 -0.776 3 HB THR 81 HB THR 81 16.248 -9.991 0.775 4 HG1 THR 81 HG1 THR 81 15.871 -12.196 1.671 5 HG21 THR 81 HG21 THR 81 13.241 -9.934 1.083 6 HG22 THR 81 HG22 THR 81 14.384 -8.985 2.034 7 HG23 THR 81 HG23 THR 81 14.237 -8.706 0.299 No H/Q in entry = 7 In of MODEL 13 1 H LEU 82 H LEU 82 12.564 -10.842 -0.158 2 HA LEU 82 HA LEU 82 11.627 -13.330 0.588 3 HB2 LEU 82 HB2 LEU 82 10.021 -11.484 -1.167 4 HB3 LEU 82 HB3 LEU 82 9.442 -12.603 0.057 5 HG LEU 82 HG LEU 82 11.030 -10.125 0.678 6 HD11 LEU 82 HD11 LEU 82 8.072 -10.619 0.708 7 HD12 LEU 82 HD12 LEU 82 8.873 -9.226 1.437 8 HD13 LEU 82 HD13 LEU 82 8.965 -9.481 -0.303 9 HD21 LEU 82 HD21 LEU 82 11.197 -11.904 2.358 10 HD22 LEU 82 HD22 LEU 82 10.276 -10.525 2.959 11 HD23 LEU 82 HD23 LEU 82 9.437 -11.984 2.435 No H/Q in entry = 11 In of MODEL 13 1 H SER 83 H SER 83 10.427 -14.928 -0.529 2 HA SER 83 HA SER 83 11.235 -15.320 -3.340 3 HB2 SER 83 HB2 SER 83 10.172 -17.288 -1.302 4 HB3 SER 83 HB3 SER 83 10.752 -17.683 -2.922 5 HG SER 83 HG SER 83 12.486 -16.245 -1.302 No H/Q in entry = 5 In of MODEL 13 1 H GLN 84 H GLN 84 8.797 -14.024 -1.689 2 HA GLN 84 HA GLN 84 6.826 -14.357 -3.691 3 HB2 GLN 84 HB2 GLN 84 5.094 -15.490 -2.390 4 HB3 GLN 84 HB3 GLN 84 6.517 -16.511 -2.459 5 HG2 GLN 84 HG2 GLN 84 5.893 -14.735 -0.116 6 HG3 GLN 84 HG3 GLN 84 5.293 -16.385 -0.252 7 HE21 GLN 84 HE21 GLN 84 6.756 -18.097 -0.110 8 HE22 GLN 84 HE22 GLN 84 8.327 -17.895 0.597 No H/Q in entry = 8 In of MODEL 13 1 HA PRO 85 HA PRO 85 6.209 -10.341 -1.690 2 HB2 PRO 85 HB2 PRO 85 4.000 -9.592 -3.129 3 HB3 PRO 85 HB3 PRO 85 5.684 -9.313 -3.621 4 HG2 PRO 85 HG2 PRO 85 3.760 -11.419 -4.521 5 HG3 PRO 85 HG3 PRO 85 5.013 -10.567 -5.450 6 HD2 PRO 85 HD2 PRO 85 5.328 -13.150 -4.550 7 HD3 PRO 85 HD3 PRO 85 6.707 -12.020 -4.744 No H/Q in entry = 7 In of MODEL 13 1 H LYS 86 H LYS 86 4.648 -9.346 -0.373 2 HA LYS 86 HA LYS 86 2.721 -11.287 0.700 3 HB2 LYS 86 HB2 LYS 86 3.736 -8.795 2.070 4 HB3 LYS 86 HB3 LYS 86 2.824 -10.111 2.792 5 HG2 LYS 86 HG2 LYS 86 5.642 -10.313 1.722 6 HG3 LYS 86 HG3 LYS 86 5.220 -10.090 3.412 7 HD2 LYS 86 HD2 LYS 86 3.809 -12.370 2.399 8 HD3 LYS 86 HD3 LYS 86 5.516 -12.509 1.981 9 HE2 LYS 86 HE2 LYS 86 6.098 -12.031 4.342 10 HE3 LYS 86 HE3 LYS 86 4.382 -12.022 4.739 11 HZ1 LYS 86 HZ1 LYS 86 4.290 -14.338 3.897 12 HZ2 LYS 86 HZ2 LYS 86 5.978 -14.313 3.737 13 HZ3 LYS 86 HZ3 LYS 86 5.269 -14.146 5.270 No H/Q in entry = 13 In of MODEL 13 1 H ILE 87 H ILE 87 0.645 -10.715 1.081 2 HA ILE 87 HA ILE 87 -0.196 -8.035 0.168 3 HB ILE 87 HB ILE 87 -1.479 -10.634 -0.286 4 HG12 ILE 87 HG12 ILE 87 -1.014 -9.437 -2.232 5 HG13 ILE 87 HG13 ILE 87 -2.724 -9.059 -1.989 6 HG21 ILE 87 HG21 ILE 87 -3.128 -8.357 0.793 7 HG22 ILE 87 HG22 ILE 87 -3.806 -9.673 -0.173 8 HG23 ILE 87 HG23 ILE 87 -3.048 -10.018 1.388 9 HD11 ILE 87 HD11 ILE 87 -0.442 -7.306 -1.153 10 HD12 ILE 87 HD12 ILE 87 -1.426 -7.103 -2.600 11 HD13 ILE 87 HD13 ILE 87 -2.159 -6.947 -1.008 No H/Q in entry = 11 In of MODEL 13 1 H VAL 88 H VAL 88 -1.006 -6.672 1.574 2 HA VAL 88 HA VAL 88 -1.806 -7.691 4.214 3 HB VAL 88 HB VAL 88 0.196 -6.301 4.395 4 HG11 VAL 88 HG11 VAL 88 -1.418 -4.128 3.102 5 HG12 VAL 88 HG12 VAL 88 0.170 -3.922 3.837 6 HG13 VAL 88 HG13 VAL 88 -0.015 -4.942 2.404 7 HG21 VAL 88 HG21 VAL 88 -2.316 -5.022 5.427 8 HG22 VAL 88 HG22 VAL 88 -1.282 -6.184 6.259 9 HG23 VAL 88 HG23 VAL 88 -0.697 -4.548 5.940 No H/Q in entry = 9 In of MODEL 13 1 H LYS 89 H LYS 89 -3.939 -7.418 4.620 2 HA LYS 89 HA LYS 89 -5.334 -5.597 2.808 3 HB2 LYS 89 HB2 LYS 89 -6.571 -7.899 4.319 4 HB3 LYS 89 HB3 LYS 89 -7.283 -6.947 3.025 5 HG2 LYS 89 HG2 LYS 89 -6.003 -7.951 1.386 6 HG3 LYS 89 HG3 LYS 89 -4.771 -8.465 2.540 7 HD2 LYS 89 HD2 LYS 89 -7.579 -9.527 2.482 8 HD3 LYS 89 HD3 LYS 89 -6.220 -10.316 1.683 9 HE2 LYS 89 HE2 LYS 89 -5.109 -10.571 3.851 10 HE3 LYS 89 HE3 LYS 89 -6.464 -9.764 4.643 11 HZ1 LYS 89 HZ1 LYS 89 -7.904 -11.566 3.791 12 HZ2 LYS 89 HZ2 LYS 89 -6.530 -12.362 3.209 13 HZ3 LYS 89 HZ3 LYS 89 -6.721 -12.110 4.878 No H/Q in entry = 13 In of MODEL 13 1 H TRP 90 H TRP 90 -6.864 -4.214 3.589 2 HA TRP 90 HA TRP 90 -6.315 -3.282 6.260 3 HB2 TRP 90 HB2 TRP 90 -6.535 -1.649 4.438 4 HB3 TRP 90 HB3 TRP 90 -8.166 -2.219 4.120 5 HD1 TRP 90 HD1 TRP 90 -6.609 -1.037 7.517 6 HE1 TRP 90 HE1 TRP 90 -8.106 0.794 8.452 7 HE3 TRP 90 HE3 TRP 90 -9.976 -0.684 3.638 8 HZ2 TRP 90 HZ2 TRP 90 -10.458 2.168 7.720 9 HZ3 TRP 90 HZ3 TRP 90 -11.813 0.918 3.841 10 HH2 TRP 90 HH2 TRP 90 -12.058 2.334 5.819 No H/Q in entry = 10 In of MODEL 13 1 H ASP 91 H ASP 91 -7.390 -3.801 8.018 2 HA ASP 91 HA ASP 91 -9.465 -5.733 7.964 3 HB2 ASP 91 HB2 ASP 91 -9.554 -5.282 10.457 4 HB3 ASP 91 HB3 ASP 91 -7.973 -5.764 9.844 No H/Q in entry = 4 In of MODEL 13 1 H ARG 92 H ARG 92 -11.337 -5.169 7.069 2 HA ARG 92 HA ARG 92 -13.171 -3.583 8.482 3 HB2 ARG 92 HB2 ARG 92 -13.305 -1.557 7.327 4 HB3 ARG 92 HB3 ARG 92 -11.574 -1.861 7.269 5 HG2 ARG 92 HG2 ARG 92 -11.974 -1.261 5.092 6 HG3 ARG 92 HG3 ARG 92 -12.082 -3.019 4.976 7 HD2 ARG 92 HD2 ARG 92 -14.574 -2.785 5.217 8 HD3 ARG 92 HD3 ARG 92 -14.367 -1.033 5.079 9 HE ARG 92 HE ARG 92 -13.102 -2.255 2.910 10 HH11 ARG 92 HH11 ARG 92 -16.302 -1.702 4.197 11 HH12 ARG 92 HH12 ARG 92 -17.094 -1.883 2.668 12 HH21 ARG 92 HH21 ARG 92 -14.141 -2.527 0.889 13 HH22 ARG 92 HH22 ARG 92 -15.872 -2.381 0.801 No H/Q in entry = 13 In of MODEL 13 1 H ASP 93 H ASP 93 -12.287 -5.742 6.139 2 HA ASP 93 HA ASP 93 -14.944 -6.338 5.301 3 HB2 ASP 93 HB2 ASP 93 -14.206 -4.384 3.821 4 HB3 ASP 93 HB3 ASP 93 -13.060 -5.515 3.102 No H/Q in entry = 4 In of MODEL 13 1 HA MET 94 HA MET 94 -11.746 -9.466 4.082 2 HB2 MET 94 HB2 MET 94 -9.453 -9.859 4.861 3 HB3 MET 94 HB3 MET 94 -9.632 -8.212 4.255 4 HG2 MET 94 HG2 MET 94 -9.724 -7.323 6.496 5 HG3 MET 94 HG3 MET 94 -9.731 -8.959 7.172 6 HE1 MET 94 HE1 MET 94 -7.721 -6.868 8.278 7 HE2 MET 94 HE2 MET 94 -7.719 -8.561 8.777 8 HE3 MET 94 HE3 MET 94 -6.213 -7.782 8.292 No H/Q in entry = 8 In of MODEL 14 1 HA MET 1 HA MET 1 4.737 -8.494 6.116 2 HB2 MET 1 HB2 MET 1 2.411 -8.803 6.746 3 HB3 MET 1 HB3 MET 1 3.403 -10.054 7.478 4 HG2 MET 1 HG2 MET 1 3.290 -8.996 9.612 5 HG3 MET 1 HG3 MET 1 2.509 -7.573 8.923 6 HE1 MET 1 HE1 MET 1 2.134 -11.404 9.695 7 HE2 MET 1 HE2 MET 1 0.488 -11.718 9.141 8 HE3 MET 1 HE3 MET 1 1.749 -11.317 7.976 No H/Q in entry = 8 In of MODEL 14 1 H ILE 2 H ILE 2 2.889 -6.949 5.609 2 HA ILE 2 HA ILE 2 3.766 -4.293 6.414 3 HB ILE 2 HB ILE 2 1.574 -4.902 4.424 4 HG12 ILE 2 HG12 ILE 2 4.316 -4.601 3.348 5 HG13 ILE 2 HG13 ILE 2 3.960 -6.135 4.146 6 HG21 ILE 2 HG21 ILE 2 1.998 -2.550 5.060 7 HG22 ILE 2 HG22 ILE 2 3.637 -2.704 4.421 8 HG23 ILE 2 HG23 ILE 2 2.251 -2.872 3.349 9 HD11 ILE 2 HD11 ILE 2 2.027 -6.438 2.656 10 HD12 ILE 2 HD12 ILE 2 2.433 -4.927 1.844 11 HD13 ILE 2 HD13 ILE 2 3.544 -6.297 1.765 No H/Q in entry = 11 In of MODEL 14 1 H GLN 3 H GLN 3 2.069 -2.634 6.904 2 HA GLN 3 HA GLN 3 -0.440 -3.752 7.923 3 HB2 GLN 3 HB2 GLN 3 1.395 -1.839 9.390 4 HB3 GLN 3 HB3 GLN 3 -0.278 -2.157 9.859 5 HG2 GLN 3 HG2 GLN 3 0.269 -4.551 10.161 6 HG3 GLN 3 HG3 GLN 3 1.966 -4.178 9.772 7 HE21 GLN 3 HE21 GLN 3 0.781 -5.295 12.184 8 HE22 GLN 3 HE22 GLN 3 1.242 -4.236 13.475 No H/Q in entry = 8 In of MODEL 14 1 H VAL 4 H VAL 4 -1.934 -2.855 6.673 2 HA VAL 4 HA VAL 4 -1.532 -0.164 5.620 3 HB VAL 4 HB VAL 4 -3.773 -0.704 4.408 4 HG11 VAL 4 HG11 VAL 4 -1.266 -2.272 3.806 5 HG12 VAL 4 HG12 VAL 4 -2.587 -1.973 2.675 6 HG13 VAL 4 HG13 VAL 4 -1.622 -0.627 3.282 7 HG21 VAL 4 HG21 VAL 4 -4.402 -2.603 5.804 8 HG22 VAL 4 HG22 VAL 4 -4.221 -3.085 4.117 9 HG23 VAL 4 HG23 VAL 4 -2.960 -3.474 5.285 No H/Q in entry = 9 In of MODEL 14 1 H TYR 5 H TYR 5 -3.112 1.451 5.774 2 HA TYR 5 HA TYR 5 -5.117 1.287 7.867 3 HB2 TYR 5 HB2 TYR 5 -2.695 3.092 8.075 4 HB3 TYR 5 HB3 TYR 5 -4.186 3.397 8.957 5 HD1 TYR 5 HD1 TYR 5 -1.089 2.560 9.669 6 HD2 TYR 5 HD2 TYR 5 -4.910 0.682 9.906 7 HE1 TYR 5 HE1 TYR 5 -0.265 1.113 11.488 8 HE2 TYR 5 HE2 TYR 5 -4.083 -0.775 11.718 9 HH TYR 5 HH TYR 5 -1.033 -0.220 13.264 No H/Q in entry = 9 In of MODEL 14 1 H SER 6 H SER 6 -6.199 3.545 8.063 2 HA SER 6 HA SER 6 -5.910 5.097 5.585 3 HB2 SER 6 HB2 SER 6 -8.522 4.212 6.849 4 HB3 SER 6 HB3 SER 6 -8.371 5.332 5.488 5 HG SER 6 HG SER 6 -7.008 2.990 5.110 No H/Q in entry = 5 In of MODEL 14 1 H ARG 7 H ARG 7 -6.698 7.311 5.772 2 HA ARG 7 HA ARG 7 -6.096 8.367 8.419 3 HB2 ARG 7 HB2 ARG 7 -5.458 9.254 5.932 4 HB3 ARG 7 HB3 ARG 7 -6.892 10.231 6.250 5 HG2 ARG 7 HG2 ARG 7 -4.488 10.078 8.071 6 HG3 ARG 7 HG3 ARG 7 -4.757 11.336 6.866 7 HD2 ARG 7 HD2 ARG 7 -6.730 12.083 7.997 8 HD3 ARG 7 HD3 ARG 7 -6.674 10.716 9.106 9 HE ARG 7 HE ARG 7 -4.303 12.309 9.239 10 HH11 ARG 7 HH11 ARG 7 -7.632 12.101 10.340 11 HH12 ARG 7 HH12 ARG 7 -7.348 13.043 11.771 12 HH21 ARG 7 HH21 ARG 7 -3.935 13.553 11.106 13 HH22 ARG 7 HH22 ARG 7 -5.250 13.891 12.192 No H/Q in entry = 13 In of MODEL 14 1 H HIS 8 H HIS 8 -8.857 7.596 6.580 2 HA HIS 8 HA HIS 8 -10.532 9.310 8.283 3 HB2 HIS 8 HB2 HIS 8 -10.886 8.723 5.337 4 HB3 HIS 8 HB3 HIS 8 -12.074 9.551 6.338 5 HD2 HIS 8 HD2 HIS 8 -10.732 11.933 7.644 6 HE1 HIS 8 HE1 HIS 8 -8.632 12.601 4.030 7 HE2 HIS 8 HE2 HIS 8 -9.198 13.552 6.316 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 9 HA PRO 9 -12.936 5.706 9.135 2 HB2 PRO 9 HB2 PRO 9 -15.482 7.007 8.958 3 HB3 PRO 9 HB3 PRO 9 -14.568 6.585 10.415 4 HG2 PRO 9 HG2 PRO 9 -15.045 9.171 9.459 5 HG3 PRO 9 HG3 PRO 9 -13.816 8.717 10.648 6 HD2 PRO 9 HD2 PRO 9 -13.512 9.397 7.777 7 HD3 PRO 9 HD3 PRO 9 -12.349 9.527 9.113 No H/Q in entry = 7 In of MODEL 14 1 H ALA 10 H ALA 10 -13.739 4.025 7.900 2 HA ALA 10 HA ALA 10 -14.110 4.225 5.159 3 HB1 ALA 10 HB1 ALA 10 -14.980 1.940 5.299 4 HB2 ALA 10 HB2 ALA 10 -13.568 2.142 6.336 5 HB3 ALA 10 HB3 ALA 10 -15.183 2.121 7.040 No H/Q in entry = 5 In of MODEL 14 1 H GLU 11 H GLU 11 -15.662 5.767 4.463 2 HA GLU 11 HA GLU 11 -18.438 5.108 5.234 3 HB2 GLU 11 HB2 GLU 11 -17.061 7.652 4.811 4 HB3 GLU 11 HB3 GLU 11 -18.557 7.546 3.900 5 HG2 GLU 11 HG2 GLU 11 -18.926 8.628 6.002 6 HG3 GLU 11 HG3 GLU 11 -19.770 7.088 5.975 No H/Q in entry = 6 In of MODEL 14 1 H ASN 12 H ASN 12 -18.898 3.518 3.777 2 HA ASN 12 HA ASN 12 -18.461 3.077 1.194 3 HB2 ASN 12 HB2 ASN 12 -21.016 2.889 2.820 4 HB3 ASN 12 HB3 ASN 12 -20.993 2.284 1.173 5 HD21 ASN 12 HD21 ASN 12 -21.457 0.234 1.978 6 HD22 ASN 12 HD22 ASN 12 -20.239 -0.749 2.726 No H/Q in entry = 6 In of MODEL 14 1 H GLY 13 H GLY 13 -18.093 4.653 -0.257 2 HA2 GLY 13 HA2 GLY 13 -20.328 6.506 -0.895 3 HA3 GLY 13 HA3 GLY 13 -19.342 5.748 -2.135 No H/Q in entry = 3 In of MODEL 14 1 H LYS 14 H LYS 14 -17.438 6.657 0.528 2 HA LYS 14 HA LYS 14 -16.927 9.337 -0.607 3 HB2 LYS 14 HB2 LYS 14 -15.579 8.062 1.778 4 HB3 LYS 14 HB3 LYS 14 -15.564 9.756 1.331 5 HG2 LYS 14 HG2 LYS 14 -18.124 8.381 2.040 6 HG3 LYS 14 HG3 LYS 14 -17.008 8.945 3.268 7 HD2 LYS 14 HD2 LYS 14 -18.765 10.551 2.876 8 HD3 LYS 14 HD3 LYS 14 -17.182 11.215 2.474 9 HE2 LYS 14 HE2 LYS 14 -18.741 11.886 0.792 10 HE3 LYS 14 HE3 LYS 14 -17.637 10.704 0.093 11 HZ1 LYS 14 HZ1 LYS 14 -19.353 9.006 0.457 12 HZ2 LYS 14 HZ2 LYS 14 -20.411 10.198 1.019 13 HZ3 LYS 14 HZ3 LYS 14 -19.877 10.231 -0.589 No H/Q in entry = 13 In of MODEL 14 1 H SER 15 H SER 15 -14.925 10.027 -1.277 2 HA SER 15 HA SER 15 -12.948 7.930 -1.764 3 HB2 SER 15 HB2 SER 15 -11.830 9.962 -3.037 4 HB3 SER 15 HB3 SER 15 -13.086 8.975 -3.789 5 HG SER 15 HG SER 15 -13.101 11.581 -3.379 No H/Q in entry = 5 In of MODEL 14 1 H ASN 16 H ASN 16 -10.865 8.123 -1.058 2 HA ASN 16 HA ASN 16 -10.042 10.105 0.849 3 HB2 ASN 16 HB2 ASN 16 -10.451 7.294 1.904 4 HB3 ASN 16 HB3 ASN 16 -9.949 8.709 2.809 5 HD21 ASN 16 HD21 ASN 16 -11.471 9.932 3.781 6 HD22 ASN 16 HD22 ASN 16 -13.177 9.651 3.657 No H/Q in entry = 6 In of MODEL 14 1 H PHE 17 H PHE 17 -8.024 8.538 2.090 2 HA PHE 17 HA PHE 17 -6.564 7.603 -0.296 3 HB2 PHE 17 HB2 PHE 17 -5.625 9.271 2.024 4 HB3 PHE 17 HB3 PHE 17 -4.491 8.371 1.018 5 HD1 PHE 17 HD1 PHE 17 -4.714 11.426 1.435 6 HD2 PHE 17 HD2 PHE 17 -6.179 8.772 -1.559 7 HE1 PHE 17 HE1 PHE 17 -4.673 13.257 -0.206 8 HE2 PHE 17 HE2 PHE 17 -6.134 10.601 -3.205 9 HZ PHE 17 HZ PHE 17 -5.381 12.846 -2.530 No H/Q in entry = 9 In of MODEL 14 1 H LEU 18 H LEU 18 -5.665 5.632 -0.251 2 HA LEU 18 HA LEU 18 -5.764 4.113 2.250 3 HB2 LEU 18 HB2 LEU 18 -6.594 2.884 0.375 4 HB3 LEU 18 HB3 LEU 18 -5.203 3.311 -0.601 5 HG LEU 18 HG LEU 18 -3.768 1.812 0.717 6 HD11 LEU 18 HD11 LEU 18 -6.267 1.192 2.298 7 HD12 LEU 18 HD12 LEU 18 -4.752 0.297 2.387 8 HD13 LEU 18 HD13 LEU 18 -4.808 1.981 2.899 9 HD21 LEU 18 HD21 LEU 18 -6.328 0.534 -0.246 10 HD22 LEU 18 HD22 LEU 18 -4.877 0.851 -1.196 11 HD23 LEU 18 HD23 LEU 18 -4.836 -0.334 0.107 No H/Q in entry = 11 In of MODEL 14 1 H ASN 19 H ASN 19 -4.061 3.748 3.478 2 HA ASN 19 HA ASN 19 -1.421 4.597 2.439 3 HB2 ASN 19 HB2 ASN 19 -1.632 6.104 4.152 4 HB3 ASN 19 HB3 ASN 19 -2.751 5.081 5.062 5 HD21 ASN 19 HD21 ASN 19 0.562 5.865 4.434 6 HD22 ASN 19 HD22 ASN 19 1.230 4.972 5.752 No H/Q in entry = 6 In of MODEL 14 1 H CYS 20 H CYS 20 0.162 3.200 2.373 2 HA CYS 20 HA CYS 20 -0.065 0.694 3.934 3 HB2 CYS 20 HB2 CYS 20 -0.254 0.194 1.570 4 HB3 CYS 20 HB3 CYS 20 1.121 1.233 1.176 No H/Q in entry = 4 In of MODEL 14 1 H TYR 21 H TYR 21 1.413 0.722 5.571 2 HA TYR 21 HA TYR 21 3.829 2.367 5.253 3 HB2 TYR 21 HB2 TYR 21 2.692 0.976 7.689 4 HB3 TYR 21 HB3 TYR 21 4.251 1.766 7.674 5 HD1 TYR 21 HD1 TYR 21 0.874 2.133 8.494 6 HD2 TYR 21 HD2 TYR 21 4.174 4.333 6.943 7 HE1 TYR 21 HE1 TYR 21 -0.179 4.229 9.241 8 HE2 TYR 21 HE2 TYR 21 3.120 6.440 7.682 9 HH TYR 21 HH TYR 21 0.440 6.510 9.792 No H/Q in entry = 9 In of MODEL 14 1 H VAL 22 H VAL 22 5.599 1.417 4.520 2 HA VAL 22 HA VAL 22 6.023 -1.435 5.165 3 HB VAL 22 HB VAL 22 6.996 0.117 2.737 4 HG11 VAL 22 HG11 VAL 22 8.525 -1.680 3.547 5 HG12 VAL 22 HG12 VAL 22 7.225 -2.841 3.267 6 HG13 VAL 22 HG13 VAL 22 7.903 -1.929 1.914 7 HG21 VAL 22 HG21 VAL 22 4.604 -0.345 2.613 8 HG22 VAL 22 HG22 VAL 22 5.505 -1.276 1.414 9 HG23 VAL 22 HG23 VAL 22 4.919 -2.059 2.886 No H/Q in entry = 9 In of MODEL 14 1 H SER 23 H SER 23 7.602 -1.485 6.773 2 HA SER 23 HA SER 23 9.637 0.635 6.631 3 HB2 SER 23 HB2 SER 23 7.885 1.091 8.361 4 HB3 SER 23 HB3 SER 23 8.398 -0.375 9.197 5 HG SER 23 HG SER 23 9.994 1.918 8.651 No H/Q in entry = 5 In of MODEL 14 1 H GLY 24 H GLY 24 11.680 0.178 7.428 2 HA2 GLY 24 HA2 GLY 24 12.277 -2.594 8.216 3 HA3 GLY 24 HA3 GLY 24 13.339 -1.207 8.422 No H/Q in entry = 3 In of MODEL 14 1 H PHE 25 H PHE 25 11.846 -1.274 5.410 2 HA PHE 25 HA PHE 25 14.006 -2.814 4.161 3 HB2 PHE 25 HB2 PHE 25 11.407 -1.814 2.974 4 HB3 PHE 25 HB3 PHE 25 12.565 -2.878 2.185 5 HD1 PHE 25 HD1 PHE 25 12.609 -5.228 2.634 6 HD2 PHE 25 HD2 PHE 25 10.078 -2.667 4.916 7 HE1 PHE 25 HE1 PHE 25 11.456 -7.205 3.573 8 HE2 PHE 25 HE2 PHE 25 8.921 -4.637 5.859 9 HZ PHE 25 HZ PHE 25 9.603 -6.896 5.162 No H/Q in entry = 9 In of MODEL 14 1 H HIS 26 H HIS 26 14.914 -1.963 2.155 2 HA HIS 26 HA HIS 26 15.295 0.949 2.408 3 HB2 HIS 26 HB2 HIS 26 17.469 0.018 2.337 4 HB3 HIS 26 HB3 HIS 26 17.014 -1.162 1.093 5 HD2 HIS 26 HD2 HIS 26 17.369 2.778 1.258 6 HE1 HIS 26 HE1 HIS 26 18.681 1.322 -2.490 7 HE2 HIS 26 HE2 HIS 26 18.132 3.394 -1.142 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 27 HA PRO 27 11.961 1.549 -0.259 2 HB2 PRO 27 HB2 PRO 27 13.527 3.986 -0.975 3 HB3 PRO 27 HB3 PRO 27 11.821 3.843 -0.545 4 HG2 PRO 27 HG2 PRO 27 13.613 4.712 1.221 5 HG3 PRO 27 HG3 PRO 27 12.274 3.655 1.716 6 HD2 PRO 27 HD2 PRO 27 15.172 3.042 1.414 7 HD3 PRO 27 HD3 PRO 27 13.959 2.304 2.483 No H/Q in entry = 7 In of MODEL 14 1 H SER 28 H SER 28 15.177 2.122 -1.675 2 HA SER 28 HA SER 28 14.110 2.326 -4.307 3 HB2 SER 28 HB2 SER 28 17.032 1.872 -3.829 4 HB3 SER 28 HB3 SER 28 16.239 3.012 -4.930 5 HG SER 28 HG SER 28 16.673 4.396 -3.404 No H/Q in entry = 5 In of MODEL 14 1 H ASP 29 H ASP 29 15.336 -0.386 -2.410 2 HA ASP 29 HA ASP 29 15.375 -2.022 -4.851 3 HB2 ASP 29 HB2 ASP 29 16.540 -2.519 -2.110 4 HB3 ASP 29 HB3 ASP 29 16.378 -3.797 -3.308 No H/Q in entry = 4 In of MODEL 14 1 H ILE 30 H ILE 30 12.884 -1.190 -3.227 2 HA ILE 30 HA ILE 30 11.887 -3.957 -2.979 3 HB ILE 30 HB ILE 30 10.768 -3.564 -1.049 4 HG12 ILE 30 HG12 ILE 30 10.422 -0.632 -1.752 5 HG13 ILE 30 HG13 ILE 30 9.237 -1.908 -2.008 6 HG21 ILE 30 HG21 ILE 30 12.826 -1.385 -0.899 7 HG22 ILE 30 HG22 ILE 30 11.941 -2.036 0.480 8 HG23 ILE 30 HG23 ILE 30 13.023 -3.077 -0.445 9 HD11 ILE 30 HD11 ILE 30 9.097 -2.280 0.393 10 HD12 ILE 30 HD12 ILE 30 10.287 -1.010 0.665 11 HD13 ILE 30 HD13 ILE 30 8.714 -0.612 -0.027 No H/Q in entry = 11 In of MODEL 14 1 H GLU 31 H GLU 31 9.566 -4.219 -3.325 2 HA GLU 31 HA GLU 31 8.456 -2.242 -5.205 3 HB2 GLU 31 HB2 GLU 31 8.397 -5.258 -5.416 4 HB3 GLU 31 HB3 GLU 31 7.424 -4.182 -6.408 5 HG2 GLU 31 HG2 GLU 31 9.358 -3.241 -7.442 6 HG3 GLU 31 HG3 GLU 31 10.437 -4.061 -6.315 No H/Q in entry = 6 In of MODEL 14 1 H VAL 32 H VAL 32 6.675 -1.398 -4.328 2 HA VAL 32 HA VAL 32 4.833 -3.168 -2.878 3 HB VAL 32 HB VAL 32 5.411 -2.107 -0.955 4 HG11 VAL 32 HG11 VAL 32 7.380 -1.118 -2.015 5 HG12 VAL 32 HG12 VAL 32 6.405 0.250 -2.545 6 HG13 VAL 32 HG13 VAL 32 6.658 -0.042 -0.820 7 HG21 VAL 32 HG21 VAL 32 3.873 0.167 -2.208 8 HG22 VAL 32 HG22 VAL 32 3.186 -1.209 -1.344 9 HG23 VAL 32 HG23 VAL 32 4.189 -0.043 -0.484 No H/Q in entry = 9 In of MODEL 14 1 H ASP 33 H ASP 33 2.729 -2.956 -3.429 2 HA ASP 33 HA ASP 33 1.941 -0.612 -5.034 3 HB2 ASP 33 HB2 ASP 33 1.149 -3.499 -5.668 4 HB3 ASP 33 HB3 ASP 33 0.582 -2.065 -6.510 No H/Q in entry = 4 In of MODEL 14 1 H LEU 34 H LEU 34 -0.427 -0.325 -5.077 2 HA LEU 34 HA LEU 34 -1.699 -1.374 -2.638 3 HB2 LEU 34 HB2 LEU 34 -2.040 1.160 -4.182 4 HB3 LEU 34 HB3 LEU 34 -3.420 0.527 -3.310 5 HG LEU 34 HG LEU 34 -2.026 0.567 -1.213 6 HD11 LEU 34 HD11 LEU 34 -0.121 2.174 -2.907 7 HD12 LEU 34 HD12 LEU 34 -0.047 1.990 -1.153 8 HD13 LEU 34 HD13 LEU 34 0.197 0.588 -2.196 9 HD21 LEU 34 HD21 LEU 34 -3.651 2.294 -1.682 10 HD22 LEU 34 HD22 LEU 34 -2.235 2.965 -0.872 11 HD23 LEU 34 HD23 LEU 34 -2.450 3.194 -2.608 No H/Q in entry = 11 In of MODEL 14 1 H LEU 35 H LEU 35 -3.377 -2.768 -2.839 2 HA LEU 35 HA LEU 35 -4.282 -3.388 -5.574 3 HB2 LEU 35 HB2 LEU 35 -3.895 -5.316 -3.289 4 HB3 LEU 35 HB3 LEU 35 -4.438 -5.717 -4.900 5 HG LEU 35 HG LEU 35 -1.691 -5.057 -3.935 6 HD11 LEU 35 HD11 LEU 35 -2.960 -7.176 -5.670 7 HD12 LEU 35 HD12 LEU 35 -1.229 -7.041 -5.402 8 HD13 LEU 35 HD13 LEU 35 -2.308 -7.374 -4.042 9 HD21 LEU 35 HD21 LEU 35 -2.602 -4.822 -6.803 10 HD22 LEU 35 HD22 LEU 35 -1.977 -3.520 -5.798 11 HD23 LEU 35 HD23 LEU 35 -0.930 -4.858 -6.265 No H/Q in entry = 11 In of MODEL 14 1 H LYS 36 H LYS 36 -6.238 -4.649 -5.729 2 HA LYS 36 HA LYS 36 -8.115 -4.519 -3.457 3 HB2 LYS 36 HB2 LYS 36 -9.128 -4.886 -6.246 4 HB3 LYS 36 HB3 LYS 36 -9.917 -4.091 -4.869 5 HG2 LYS 36 HG2 LYS 36 -8.458 -2.151 -5.203 6 HG3 LYS 36 HG3 LYS 36 -7.646 -2.966 -6.533 7 HD2 LYS 36 HD2 LYS 36 -9.333 -1.277 -7.280 8 HD3 LYS 36 HD3 LYS 36 -9.609 -2.904 -7.917 9 HE2 LYS 36 HE2 LYS 36 -11.701 -1.718 -7.186 10 HE3 LYS 36 HE3 LYS 36 -11.446 -3.240 -6.332 11 HZ1 LYS 36 HZ1 LYS 36 -10.386 -1.785 -4.546 12 HZ2 LYS 36 HZ2 LYS 36 -11.095 -0.472 -5.349 13 HZ3 LYS 36 HZ3 LYS 36 -12.068 -1.698 -4.718 No H/Q in entry = 13 In of MODEL 14 1 H ASN 37 H ASN 37 -8.185 -6.616 -2.683 2 HA ASN 37 HA ASN 37 -7.753 -8.878 -2.698 3 HB2 ASN 37 HB2 ASN 37 -9.582 -10.008 -4.154 4 HB3 ASN 37 HB3 ASN 37 -10.087 -8.945 -2.849 5 HD21 ASN 37 HD21 ASN 37 -10.748 -6.808 -3.394 6 HD22 ASN 37 HD22 ASN 37 -11.425 -6.452 -4.949 No H/Q in entry = 6 In of MODEL 14 1 H GLY 38 H GLY 38 -5.685 -8.073 -3.949 2 HA2 GLY 38 HA2 GLY 38 -5.073 -10.117 -5.799 3 HA3 GLY 38 HA3 GLY 38 -4.002 -8.824 -5.330 No H/Q in entry = 3 In of MODEL 14 1 H GLU 39 H GLU 39 -6.055 -6.806 -6.354 2 HA GLU 39 HA GLU 39 -5.296 -7.096 -9.188 3 HB2 GLU 39 HB2 GLU 39 -7.721 -7.497 -8.881 4 HB3 GLU 39 HB3 GLU 39 -7.876 -5.934 -8.095 5 HG2 GLU 39 HG2 GLU 39 -8.672 -5.875 -10.418 6 HG3 GLU 39 HG3 GLU 39 -7.299 -4.795 -10.156 No H/Q in entry = 6 In of MODEL 14 1 H ARG 40 H ARG 40 -3.964 -5.493 -9.809 2 HA ARG 40 HA ARG 40 -3.198 -3.431 -8.085 3 HB2 ARG 40 HB2 ARG 40 -1.983 -4.534 -10.184 4 HB3 ARG 40 HB3 ARG 40 -2.764 -3.228 -11.062 5 HG2 ARG 40 HG2 ARG 40 -1.634 -1.572 -9.726 6 HG3 ARG 40 HG3 ARG 40 -0.976 -2.829 -8.697 7 HD2 ARG 40 HD2 ARG 40 -0.243 -3.203 -11.512 8 HD3 ARG 40 HD3 ARG 40 0.342 -1.686 -10.834 9 HE ARG 40 HE ARG 40 1.064 -3.447 -8.954 10 HH11 ARG 40 HH11 ARG 40 1.437 -3.507 -12.429 11 HH12 ARG 40 HH12 ARG 40 3.053 -4.148 -12.377 12 HH21 ARG 40 HH21 ARG 40 3.222 -4.221 -8.866 13 HH22 ARG 40 HH22 ARG 40 4.057 -4.569 -10.355 No H/Q in entry = 13 In of MODEL 14 1 H ILE 41 H ILE 41 -4.147 -1.680 -7.581 2 HA ILE 41 HA ILE 41 -6.616 -0.833 -8.521 3 HB ILE 41 HB ILE 41 -4.545 0.701 -6.950 4 HG12 ILE 41 HG12 ILE 41 -6.975 -0.876 -6.091 5 HG13 ILE 41 HG13 ILE 41 -5.307 -1.422 -5.936 6 HG21 ILE 41 HG21 ILE 41 -6.147 2.262 -7.943 7 HG22 ILE 41 HG22 ILE 41 -7.483 1.309 -7.310 8 HG23 ILE 41 HG23 ILE 41 -6.391 2.137 -6.204 9 HD11 ILE 41 HD11 ILE 41 -6.214 1.092 -4.609 10 HD12 ILE 41 HD12 ILE 41 -6.515 -0.499 -3.894 11 HD13 ILE 41 HD13 ILE 41 -4.859 0.022 -4.217 No H/Q in entry = 11 In of MODEL 14 1 H GLU 42 H GLU 42 -3.865 1.391 -8.692 2 HA GLU 42 HA GLU 42 -2.654 1.447 -10.907 3 HB2 GLU 42 HB2 GLU 42 -5.423 2.205 -11.864 4 HB3 GLU 42 HB3 GLU 42 -3.957 2.559 -12.755 5 HG2 GLU 42 HG2 GLU 42 -3.625 -0.059 -12.488 6 HG3 GLU 42 HG3 GLU 42 -5.382 -0.002 -12.364 No H/Q in entry = 6 In of MODEL 14 1 H LYS 43 H LYS 43 -5.025 3.501 -9.252 2 HA LYS 43 HA LYS 43 -3.788 5.929 -10.218 3 HB2 LYS 43 HB2 LYS 43 -5.815 5.699 -7.990 4 HB3 LYS 43 HB3 LYS 43 -5.487 7.086 -9.015 5 HG2 LYS 43 HG2 LYS 43 -6.980 4.564 -9.722 6 HG3 LYS 43 HG3 LYS 43 -7.569 6.229 -9.725 7 HD2 LYS 43 HD2 LYS 43 -5.864 6.677 -11.548 8 HD3 LYS 43 HD3 LYS 43 -5.649 4.928 -11.636 9 HE2 LYS 43 HE2 LYS 43 -8.137 4.743 -12.000 10 HE3 LYS 43 HE3 LYS 43 -8.170 6.498 -12.158 11 HZ1 LYS 43 HZ1 LYS 43 -6.541 4.686 -13.859 12 HZ2 LYS 43 HZ2 LYS 43 -8.038 5.334 -14.303 13 HZ3 LYS 43 HZ3 LYS 43 -6.714 6.362 -14.049 No H/Q in entry = 13 In of MODEL 14 1 H VAL 44 H VAL 44 -1.708 4.807 -9.125 2 HA VAL 44 HA VAL 44 -1.583 5.839 -6.386 3 HB VAL 44 HB VAL 44 -1.429 3.105 -6.975 4 HG11 VAL 44 HG11 VAL 44 0.858 3.403 -7.832 5 HG12 VAL 44 HG12 VAL 44 1.322 4.103 -6.281 6 HG13 VAL 44 HG13 VAL 44 0.808 2.414 -6.368 7 HG21 VAL 44 HG21 VAL 44 -0.501 4.654 -4.574 8 HG22 VAL 44 HG22 VAL 44 -2.115 4.007 -4.867 9 HG23 VAL 44 HG23 VAL 44 -0.758 2.911 -4.606 No H/Q in entry = 9 In of MODEL 14 1 H GLU 45 H GLU 45 0.079 7.120 -6.023 2 HA GLU 45 HA GLU 45 2.335 7.134 -7.862 3 HB2 GLU 45 HB2 GLU 45 0.260 9.259 -7.758 4 HB3 GLU 45 HB3 GLU 45 1.934 9.764 -7.945 5 HG2 GLU 45 HG2 GLU 45 0.488 7.824 -9.736 6 HG3 GLU 45 HG3 GLU 45 0.788 9.526 -10.096 No H/Q in entry = 6 In of MODEL 14 1 H HIS 46 H HIS 46 3.970 6.974 -6.497 2 HA HIS 46 HA HIS 46 4.619 9.379 -5.066 3 HB2 HIS 46 HB2 HIS 46 3.420 7.736 -3.432 4 HB3 HIS 46 HB3 HIS 46 4.898 6.793 -3.540 5 HD2 HIS 46 HD2 HIS 46 7.262 8.256 -2.583 6 HE1 HIS 46 HE1 HIS 46 4.871 10.848 -0.245 7 HE2 HIS 46 HE2 HIS 46 7.205 9.926 -0.601 No H/Q in entry = 7 In of MODEL 14 1 H SER 47 H SER 47 6.808 9.710 -5.224 2 HA SER 47 HA SER 47 8.139 7.752 -6.917 3 HB2 SER 47 HB2 SER 47 9.006 10.569 -6.227 4 HB3 SER 47 HB3 SER 47 9.627 9.555 -7.531 5 HG SER 47 HG SER 47 7.331 9.560 -8.286 No H/Q in entry = 5 In of MODEL 14 1 H ASP 48 H ASP 48 9.345 6.327 -6.000 2 HA ASP 48 HA ASP 48 10.491 6.518 -3.426 3 HB2 ASP 48 HB2 ASP 48 11.952 4.557 -4.665 4 HB3 ASP 48 HB3 ASP 48 10.406 4.307 -3.866 No H/Q in entry = 4 In of MODEL 14 1 H LEU 49 H LEU 49 12.945 6.173 -3.134 2 HA LEU 49 HA LEU 49 14.137 8.412 -4.621 3 HB2 LEU 49 HB2 LEU 49 15.715 8.548 -2.584 4 HB3 LEU 49 HB3 LEU 49 14.087 9.186 -2.436 5 HG LEU 49 HG LEU 49 15.027 7.956 -0.430 6 HD11 LEU 49 HD11 LEU 49 12.627 8.411 -0.670 7 HD12 LEU 49 HD12 LEU 49 12.425 6.860 -1.487 8 HD13 LEU 49 HD13 LEU 49 12.954 6.910 0.193 9 HD21 LEU 49 HD21 LEU 49 14.538 5.527 -2.136 10 HD22 LEU 49 HD22 LEU 49 16.092 6.087 -1.514 11 HD23 LEU 49 HD23 LEU 49 14.849 5.514 -0.401 No H/Q in entry = 11 In of MODEL 14 1 H SER 50 H SER 50 14.151 6.020 -5.805 2 HA SER 50 HA SER 50 16.170 4.263 -5.634 3 HB2 SER 50 HB2 SER 50 15.639 5.589 -8.276 4 HB3 SER 50 HB3 SER 50 15.886 3.877 -7.921 5 HG SER 50 HG SER 50 13.813 3.690 -7.619 No H/Q in entry = 5 In of MODEL 14 1 H PHE 51 H PHE 51 16.551 7.620 -6.650 2 HA PHE 51 HA PHE 51 19.227 7.399 -7.563 3 HB2 PHE 51 HB2 PHE 51 17.828 9.871 -6.522 4 HB3 PHE 51 HB3 PHE 51 19.222 9.817 -7.593 5 HD1 PHE 51 HD1 PHE 51 15.619 9.625 -7.348 6 HD2 PHE 51 HD2 PHE 51 18.954 9.067 -9.931 7 HE1 PHE 51 HE1 PHE 51 14.114 9.665 -9.293 8 HE2 PHE 51 HE2 PHE 51 17.453 9.105 -11.881 9 HZ PHE 51 HZ PHE 51 15.031 9.405 -11.561 No H/Q in entry = 9 In of MODEL 14 1 H SER 52 H SER 52 17.987 7.148 -4.482 2 HA SER 52 HA SER 52 20.509 8.029 -3.253 3 HB2 SER 52 HB2 SER 52 18.684 9.739 -2.941 4 HB3 SER 52 HB3 SER 52 17.760 8.517 -2.071 5 HG SER 52 HG SER 52 19.151 10.070 -0.837 No H/Q in entry = 5 In of MODEL 14 1 H LYS 53 H LYS 53 21.320 6.039 -2.804 2 HA LYS 53 HA LYS 53 19.566 4.184 -1.342 3 HB2 LYS 53 HB2 LYS 53 21.185 2.398 -2.146 4 HB3 LYS 53 HB3 LYS 53 20.138 3.115 -3.360 5 HG2 LYS 53 HG2 LYS 53 22.012 4.583 -4.045 6 HG3 LYS 53 HG3 LYS 53 23.048 3.729 -2.900 7 HD2 LYS 53 HD2 LYS 53 22.590 1.622 -4.085 8 HD3 LYS 53 HD3 LYS 53 21.594 2.506 -5.244 9 HE2 LYS 53 HE2 LYS 53 23.772 2.149 -6.197 10 HE3 LYS 53 HE3 LYS 53 23.576 3.864 -5.842 11 HZ1 LYS 53 HZ1 LYS 53 24.848 3.527 -3.793 12 HZ2 LYS 53 HZ2 LYS 53 25.076 1.896 -4.197 13 HZ3 LYS 53 HZ3 LYS 53 25.751 3.112 -5.169 No H/Q in entry = 13 In of MODEL 14 1 H ASP 54 H ASP 54 20.136 5.474 0.525 2 HA ASP 54 HA ASP 54 22.632 4.524 1.725 3 HB2 ASP 54 HB2 ASP 54 23.226 6.709 1.011 4 HB3 ASP 54 HB3 ASP 54 21.710 7.400 1.574 No H/Q in entry = 4 In of MODEL 14 1 H TRP 55 H TRP 55 19.289 5.292 2.084 2 HA TRP 55 HA TRP 55 19.394 4.510 4.909 3 HB2 TRP 55 HB2 TRP 55 19.332 7.131 4.307 4 HB3 TRP 55 HB3 TRP 55 17.612 6.786 4.230 5 HD1 TRP 55 HD1 TRP 55 17.930 8.711 6.320 6 HE1 TRP 55 HE1 TRP 55 17.994 8.264 8.819 7 HE3 TRP 55 HE3 TRP 55 19.193 3.681 6.256 8 HZ2 TRP 55 HZ2 TRP 55 18.494 6.103 10.575 9 HZ3 TRP 55 HZ3 TRP 55 19.429 2.540 8.416 10 HH2 TRP 55 HH2 TRP 55 19.087 3.712 10.524 No H/Q in entry = 10 In of MODEL 14 1 H SER 56 H SER 56 17.256 4.022 5.769 2 HA SER 56 HA SER 56 15.190 3.340 3.853 3 HB2 SER 56 HB2 SER 56 15.319 0.914 4.755 4 HB3 SER 56 HB3 SER 56 16.480 1.415 3.527 5 HG SER 56 HG SER 56 16.882 0.690 6.151 No H/Q in entry = 5 In of MODEL 14 1 H PHE 57 H PHE 57 13.842 4.770 5.257 2 HA PHE 57 HA PHE 57 13.381 3.651 7.922 3 HB2 PHE 57 HB2 PHE 57 12.800 6.106 8.494 4 HB3 PHE 57 HB3 PHE 57 14.492 5.671 8.337 5 HD1 PHE 57 HD1 PHE 57 11.883 7.840 7.204 6 HD2 PHE 57 HD2 PHE 57 15.664 6.205 6.130 7 HE1 PHE 57 HE1 PHE 57 12.162 9.605 5.519 8 HE2 PHE 57 HE2 PHE 57 15.948 7.972 4.443 9 HZ PHE 57 HZ PHE 57 14.200 9.678 4.137 No H/Q in entry = 9 In of MODEL 14 1 H TYR 58 H TYR 58 11.795 6.220 6.089 2 HA TYR 58 HA TYR 58 9.177 5.071 6.599 3 HB2 TYR 58 HB2 TYR 58 9.863 7.438 7.167 4 HB3 TYR 58 HB3 TYR 58 9.962 7.764 5.447 5 HD1 TYR 58 HD1 TYR 58 8.302 9.347 5.097 6 HD2 TYR 58 HD2 TYR 58 7.340 5.835 7.307 7 HE1 TYR 58 HE1 TYR 58 5.906 10.007 5.096 8 HE2 TYR 58 HE2 TYR 58 4.955 6.483 7.315 9 HH TYR 58 HH TYR 58 3.629 8.572 7.114 No H/Q in entry = 9 In of MODEL 14 1 H LEU 59 H LEU 59 7.736 6.089 4.355 2 HA LEU 59 HA LEU 59 8.126 4.996 2.121 3 HB2 LEU 59 HB2 LEU 59 8.122 2.677 4.004 4 HB3 LEU 59 HB3 LEU 59 7.329 2.485 2.445 5 HG LEU 59 HG LEU 59 10.107 3.620 2.546 6 HD11 LEU 59 HD11 LEU 59 10.099 1.454 3.857 7 HD12 LEU 59 HD12 LEU 59 9.669 0.654 2.341 8 HD13 LEU 59 HD13 LEU 59 11.186 1.536 2.468 9 HD21 LEU 59 HD21 LEU 59 8.496 2.103 0.520 10 HD22 LEU 59 HD22 LEU 59 9.156 3.733 0.405 11 HD23 LEU 59 HD23 LEU 59 10.232 2.342 0.363 No H/Q in entry = 11 In of MODEL 14 1 H LEU 60 H LEU 60 5.859 4.306 1.093 2 HA LEU 60 HA LEU 60 3.638 5.095 2.168 3 HB2 LEU 60 HB2 LEU 60 4.780 6.911 3.260 4 HB3 LEU 60 HB3 LEU 60 5.169 7.617 1.708 5 HG LEU 60 HG LEU 60 2.541 7.611 1.420 6 HD11 LEU 60 HD11 LEU 60 2.107 6.420 3.530 7 HD12 LEU 60 HD12 LEU 60 2.857 7.743 4.416 8 HD13 LEU 60 HD13 LEU 60 1.371 8.020 3.509 9 HD21 LEU 60 HD21 LEU 60 3.991 9.593 1.418 10 HD22 LEU 60 HD22 LEU 60 2.466 9.876 2.257 11 HD23 LEU 60 HD23 LEU 60 3.939 9.612 3.177 No H/Q in entry = 11 In of MODEL 14 1 H TYR 61 H TYR 61 2.365 4.579 0.479 2 HA TYR 61 HA TYR 61 2.696 6.224 -1.930 3 HB2 TYR 61 HB2 TYR 61 1.901 3.288 -1.730 4 HB3 TYR 61 HB3 TYR 61 1.767 4.229 -3.224 5 HD1 TYR 61 HD1 TYR 61 4.276 3.057 -0.690 6 HD2 TYR 61 HD2 TYR 61 3.629 4.472 -4.657 7 HE1 TYR 61 HE1 TYR 61 6.629 2.534 -1.256 8 HE2 TYR 61 HE2 TYR 61 5.963 3.959 -5.229 9 HH TYR 61 HH TYR 61 8.081 3.602 -4.197 No H/Q in entry = 9 In of MODEL 14 1 H TYR 62 H TYR 62 0.617 6.851 -3.006 2 HA TYR 62 HA TYR 62 -1.666 6.463 -1.215 3 HB2 TYR 62 HB2 TYR 62 -2.396 8.782 -1.501 4 HB3 TYR 62 HB3 TYR 62 -0.846 8.663 -0.694 5 HD1 TYR 62 HD1 TYR 62 0.898 10.039 -1.385 6 HD2 TYR 62 HD2 TYR 62 -2.317 9.361 -4.089 7 HE1 TYR 62 HE1 TYR 62 1.801 11.757 -2.900 8 HE2 TYR 62 HE2 TYR 62 -1.417 11.071 -5.599 9 HH TYR 62 HH TYR 62 1.687 12.273 -5.359 No H/Q in entry = 9 In of MODEL 14 1 H THR 63 H THR 63 -3.616 6.083 -2.122 2 HA THR 63 HA THR 63 -4.018 6.654 -4.966 3 HB THR 63 HB THR 63 -3.264 4.212 -4.644 4 HG1 THR 63 HG1 THR 63 -4.564 5.181 -6.435 5 HG21 THR 63 HG21 THR 63 -6.058 4.010 -3.550 6 HG22 THR 63 HG22 THR 63 -5.078 2.645 -4.069 7 HG23 THR 63 HG23 THR 63 -4.574 3.618 -2.692 No H/Q in entry = 7 In of MODEL 14 1 H GLU 64 H GLU 64 -6.042 7.347 -5.414 2 HA GLU 64 HA GLU 64 -7.941 8.033 -3.491 3 HB2 GLU 64 HB2 GLU 64 -7.630 8.788 -5.974 4 HB3 GLU 64 HB3 GLU 64 -8.621 7.387 -6.360 5 HG2 GLU 64 HG2 GLU 64 -10.192 9.052 -6.300 6 HG3 GLU 64 HG3 GLU 64 -10.297 8.403 -4.662 No H/Q in entry = 6 In of MODEL 14 1 H PHE 65 H PHE 65 -9.464 6.743 -2.384 2 HA PHE 65 HA PHE 65 -10.351 4.346 -3.831 3 HB2 PHE 65 HB2 PHE 65 -10.358 3.046 -1.861 4 HB3 PHE 65 HB3 PHE 65 -8.832 3.895 -1.904 5 HD1 PHE 65 HD1 PHE 65 -8.035 4.479 0.122 6 HD2 PHE 65 HD2 PHE 65 -12.227 4.648 -0.533 7 HE1 PHE 65 HE1 PHE 65 -8.375 5.230 2.450 8 HE2 PHE 65 HE2 PHE 65 -12.562 5.402 1.782 9 HZ PHE 65 HZ PHE 65 -10.651 5.687 3.280 No H/Q in entry = 9 In of MODEL 14 1 H THR 66 H THR 66 -12.495 3.729 -3.625 2 HA THR 66 HA THR 66 -14.163 5.231 -1.719 3 HB THR 66 HB THR 66 -14.938 4.509 -4.572 4 HG1 THR 66 HG1 THR 66 -14.040 6.878 -3.301 5 HG21 THR 66 HG21 THR 66 -16.437 6.020 -2.411 6 HG22 THR 66 HG22 THR 66 -16.929 5.910 -4.106 7 HG23 THR 66 HG23 THR 66 -16.871 4.458 -3.111 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 67 HA PRO 67 -14.802 0.867 -0.747 2 HB2 PRO 67 HB2 PRO 67 -16.227 1.415 1.608 3 HB3 PRO 67 HB3 PRO 67 -14.515 1.042 1.477 4 HG2 PRO 67 HG2 PRO 67 -15.700 3.555 2.185 5 HG3 PRO 67 HG3 PRO 67 -13.982 3.153 2.022 6 HD2 PRO 67 HD2 PRO 67 -15.691 4.664 0.238 7 HD3 PRO 67 HD3 PRO 67 -13.926 4.488 0.212 No H/Q in entry = 7 In of MODEL 14 1 H THR 68 H THR 68 -16.267 -0.511 -1.096 2 HA THR 68 HA THR 68 -19.112 0.213 -1.146 3 HB THR 68 HB THR 68 -19.463 -1.105 -3.143 4 HG1 THR 68 HG1 THR 68 -17.017 -1.745 -3.953 5 HG21 THR 68 HG21 THR 68 -18.688 1.189 -3.536 6 HG22 THR 68 HG22 THR 68 -17.020 0.612 -3.563 7 HG23 THR 68 HG23 THR 68 -18.153 0.092 -4.811 No H/Q in entry = 7 In of MODEL 14 1 H GLU 69 H GLU 69 -20.468 -1.818 -0.846 2 HA GLU 69 HA GLU 69 -19.588 -3.423 1.227 3 HB2 GLU 69 HB2 GLU 69 -21.911 -3.190 0.807 4 HB3 GLU 69 HB3 GLU 69 -21.779 -3.804 -0.832 5 HG2 GLU 69 HG2 GLU 69 -22.764 -5.492 0.488 6 HG3 GLU 69 HG3 GLU 69 -21.112 -5.994 0.114 No H/Q in entry = 6 In of MODEL 14 1 H LYS 70 H LYS 70 -18.436 -3.603 -1.979 2 HA LYS 70 HA LYS 70 -17.799 -6.446 -1.596 3 HB2 LYS 70 HB2 LYS 70 -18.244 -4.943 -4.154 4 HB3 LYS 70 HB3 LYS 70 -17.546 -6.551 -4.104 5 HG2 LYS 70 HG2 LYS 70 -20.247 -5.963 -2.909 6 HG3 LYS 70 HG3 LYS 70 -20.033 -6.352 -4.610 7 HD2 LYS 70 HD2 LYS 70 -20.521 -8.419 -3.716 8 HD3 LYS 70 HD3 LYS 70 -18.764 -8.447 -3.736 9 HE2 LYS 70 HE2 LYS 70 -20.248 -7.565 -1.286 10 HE3 LYS 70 HE3 LYS 70 -20.066 -9.275 -1.641 11 HZ1 LYS 70 HZ1 LYS 70 -17.586 -8.758 -1.778 12 HZ2 LYS 70 HZ2 LYS 70 -17.969 -7.295 -1.009 13 HZ3 LYS 70 HZ3 LYS 70 -18.303 -8.759 -0.240 No H/Q in entry = 13 In of MODEL 14 1 H ASP 71 H ASP 71 -16.141 -3.395 -2.159 2 HA ASP 71 HA ASP 71 -13.943 -4.816 -3.421 3 HB2 ASP 71 HB2 ASP 71 -14.266 -1.842 -2.972 4 HB3 ASP 71 HB3 ASP 71 -12.958 -2.610 -3.844 No H/Q in entry = 4 In of MODEL 14 1 H GLU 72 H GLU 72 -12.199 -5.402 -2.416 2 HA GLU 72 HA GLU 72 -11.675 -4.724 0.412 3 HB2 GLU 72 HB2 GLU 72 -11.866 -7.107 -0.217 4 HB3 GLU 72 HB3 GLU 72 -10.585 -6.907 -1.397 5 HG2 GLU 72 HG2 GLU 72 -9.015 -6.379 0.453 6 HG3 GLU 72 HG3 GLU 72 -10.314 -6.695 1.600 No H/Q in entry = 6 In of MODEL 14 1 H TYR 73 H TYR 73 -9.557 -3.953 0.981 2 HA TYR 73 HA TYR 73 -7.884 -3.139 -1.306 3 HB2 TYR 73 HB2 TYR 73 -8.464 -1.583 1.231 4 HB3 TYR 73 HB3 TYR 73 -7.205 -1.146 0.082 5 HD1 TYR 73 HD1 TYR 73 -10.859 -1.621 0.456 6 HD2 TYR 73 HD2 TYR 73 -7.732 0.098 -1.866 7 HE1 TYR 73 HE1 TYR 73 -12.519 -0.379 -0.882 8 HE2 TYR 73 HE2 TYR 73 -9.397 1.338 -3.191 9 HH TYR 73 HH TYR 73 -12.680 1.566 -2.284 No H/Q in entry = 9 In of MODEL 14 1 H ALA 74 H ALA 74 -5.796 -3.642 -1.265 2 HA ALA 74 HA ALA 74 -4.604 -4.679 1.214 3 HB1 ALA 74 HB1 ALA 74 -5.431 -6.591 -0.027 4 HB2 ALA 74 HB2 ALA 74 -4.581 -6.047 -1.474 5 HB3 ALA 74 HB3 ALA 74 -3.672 -6.566 -0.051 No H/Q in entry = 5 In of MODEL 14 1 H CYS 75 H CYS 75 -2.202 -4.770 1.125 2 HA CYS 75 HA CYS 75 -1.075 -3.206 -1.109 3 HB2 CYS 75 HB2 CYS 75 -1.018 -1.750 0.790 4 HB3 CYS 75 HB3 CYS 75 -0.343 -3.010 1.813 No H/Q in entry = 4 In of MODEL 14 1 H ARG 76 H ARG 76 0.550 -4.147 -2.152 2 HA ARG 76 HA ARG 76 1.509 -6.770 -1.203 3 HB2 ARG 76 HB2 ARG 76 0.281 -6.396 -3.437 4 HB3 ARG 76 HB3 ARG 76 1.773 -5.620 -3.972 5 HG2 ARG 76 HG2 ARG 76 2.964 -7.683 -3.820 6 HG3 ARG 76 HG3 ARG 76 1.641 -8.466 -2.951 7 HD2 ARG 76 HD2 ARG 76 1.690 -9.159 -5.345 8 HD3 ARG 76 HD3 ARG 76 0.213 -8.276 -4.933 9 HE ARG 76 HE ARG 76 1.580 -6.262 -5.830 10 HH11 ARG 76 HH11 ARG 76 1.624 -9.514 -7.135 11 HH12 ARG 76 HH12 ARG 76 2.138 -8.996 -8.714 12 HH21 ARG 76 HH21 ARG 76 2.257 -5.586 -7.888 13 HH22 ARG 76 HH22 ARG 76 2.462 -6.764 -9.153 No H/Q in entry = 13 In of MODEL 14 1 H VAL 77 H VAL 77 3.666 -6.976 -0.623 2 HA VAL 77 HA VAL 77 5.543 -5.056 -1.828 3 HB VAL 77 HB VAL 77 4.890 -4.500 0.631 4 HG11 VAL 77 HG11 VAL 77 5.194 -6.719 1.571 5 HG12 VAL 77 HG12 VAL 77 6.898 -6.696 1.107 6 HG13 VAL 77 HG13 VAL 77 6.295 -5.559 2.317 7 HG21 VAL 77 HG21 VAL 77 6.651 -3.384 -0.625 8 HG22 VAL 77 HG22 VAL 77 7.118 -3.626 1.061 9 HG23 VAL 77 HG23 VAL 77 7.777 -4.674 -0.197 No H/Q in entry = 9 In of MODEL 14 1 H ASN 78 H ASN 78 7.368 -5.794 -2.495 2 HA ASN 78 HA ASN 78 8.265 -8.487 -1.667 3 HB2 ASN 78 HB2 ASN 78 7.101 -8.564 -3.910 4 HB3 ASN 78 HB3 ASN 78 8.391 -7.536 -4.537 5 HD21 ASN 78 HD21 ASN 78 9.057 -9.134 -5.991 6 HD22 ASN 78 HD22 ASN 78 9.919 -10.543 -5.462 No H/Q in entry = 6 In of MODEL 14 1 H HIS 79 H HIS 79 10.350 -8.829 -1.480 2 HA HIS 79 HA HIS 79 12.218 -6.706 -2.243 3 HB2 HIS 79 HB2 HIS 79 11.721 -6.694 0.246 4 HB3 HIS 79 HB3 HIS 79 12.383 -8.317 0.320 5 HD2 HIS 79 HD2 HIS 79 13.551 -4.645 0.163 6 HE1 HIS 79 HE1 HIS 79 16.967 -7.141 0.298 7 HE2 HIS 79 HE2 HIS 79 16.110 -4.775 0.573 No H/Q in entry = 7 In of MODEL 14 1 H VAL 80 H VAL 80 14.428 -7.602 -2.534 2 HA VAL 80 HA VAL 80 14.548 -9.792 -4.191 3 HB VAL 80 HB VAL 80 16.783 -8.858 -2.379 4 HG11 VAL 80 HG11 VAL 80 16.876 -10.446 -4.947 5 HG12 VAL 80 HG12 VAL 80 18.278 -9.790 -4.101 6 HG13 VAL 80 HG13 VAL 80 17.289 -11.032 -3.334 7 HG21 VAL 80 HG21 VAL 80 16.024 -7.998 -5.168 8 HG22 VAL 80 HG22 VAL 80 15.899 -7.031 -3.698 9 HG23 VAL 80 HG23 VAL 80 17.483 -7.504 -4.309 No H/Q in entry = 9 In of MODEL 14 1 H THR 81 H THR 81 14.554 -9.794 -0.687 2 HA THR 81 HA THR 81 15.731 -12.416 -0.460 3 HB THR 81 HB THR 81 16.154 -10.943 1.370 4 HG1 THR 81 HG1 THR 81 15.975 -12.974 2.142 5 HG21 THR 81 HG21 THR 81 13.152 -10.722 1.732 6 HG22 THR 81 HG22 THR 81 14.369 -10.051 2.821 7 HG23 THR 81 HG23 THR 81 14.233 -9.444 1.171 No H/Q in entry = 7 In of MODEL 14 1 H LEU 82 H LEU 82 12.432 -11.213 0.337 2 HA LEU 82 HA LEU 82 11.238 -13.460 1.168 3 HB2 LEU 82 HB2 LEU 82 9.944 -11.547 -0.761 4 HB3 LEU 82 HB3 LEU 82 9.112 -12.631 0.345 5 HG LEU 82 HG LEU 82 10.894 -10.354 1.200 6 HD11 LEU 82 HD11 LEU 82 7.897 -10.568 1.045 7 HD12 LEU 82 HD12 LEU 82 8.791 -9.264 1.833 8 HD13 LEU 82 HD13 LEU 82 8.946 -9.506 0.097 9 HD21 LEU 82 HD21 LEU 82 9.055 -12.170 2.751 10 HD22 LEU 82 HD22 LEU 82 10.816 -12.121 2.853 11 HD23 LEU 82 HD23 LEU 82 9.862 -10.745 3.404 No H/Q in entry = 11 In of MODEL 14 1 H SER 83 H SER 83 11.577 -12.665 -2.276 2 HA SER 83 HA SER 83 11.506 -13.962 -4.144 3 HB2 SER 83 HB2 SER 83 12.587 -15.818 -2.997 4 HB3 SER 83 HB3 SER 83 11.064 -16.277 -2.239 5 HG SER 83 HG SER 83 10.714 -17.450 -3.931 No H/Q in entry = 5 In of MODEL 14 1 H GLN 84 H GLN 84 9.008 -14.298 -1.711 2 HA GLN 84 HA GLN 84 7.064 -14.028 -3.887 3 HB2 GLN 84 HB2 GLN 84 5.438 -15.408 -2.716 4 HB3 GLN 84 HB3 GLN 84 6.922 -16.316 -2.946 5 HG2 GLN 84 HG2 GLN 84 6.265 -14.910 -0.374 6 HG3 GLN 84 HG3 GLN 84 5.732 -16.552 -0.721 7 HE21 GLN 84 HE21 GLN 84 8.173 -17.225 -2.172 8 HE22 GLN 84 HE22 GLN 84 9.406 -17.409 -0.978 No H/Q in entry = 8 In of MODEL 14 1 HA PRO 85 HA PRO 85 6.261 -10.315 -1.421 2 HB2 PRO 85 HB2 PRO 85 4.175 -9.379 -2.921 3 HB3 PRO 85 HB3 PRO 85 5.890 -9.057 -3.255 4 HG2 PRO 85 HG2 PRO 85 4.025 -10.997 -4.550 5 HG3 PRO 85 HG3 PRO 85 5.363 -10.066 -5.263 6 HD2 PRO 85 HD2 PRO 85 5.550 -12.764 -4.640 7 HD3 PRO 85 HD3 PRO 85 6.959 -11.650 -4.665 No H/Q in entry = 7 In of MODEL 14 1 H LYS 86 H LYS 86 4.601 -9.495 -0.125 2 HA LYS 86 HA LYS 86 2.524 -11.502 0.449 3 HB2 LYS 86 HB2 LYS 86 3.598 -9.426 2.360 4 HB3 LYS 86 HB3 LYS 86 2.512 -10.755 2.737 5 HG2 LYS 86 HG2 LYS 86 5.447 -10.844 2.108 6 HG3 LYS 86 HG3 LYS 86 4.620 -11.390 3.568 7 HD2 LYS 86 HD2 LYS 86 3.437 -12.927 1.632 8 HD3 LYS 86 HD3 LYS 86 5.086 -12.768 1.021 9 HE2 LYS 86 HE2 LYS 86 4.911 -14.754 2.402 10 HE3 LYS 86 HE3 LYS 86 5.944 -13.566 3.198 11 HZ1 LYS 86 HZ1 LYS 86 3.058 -13.882 3.820 12 HZ2 LYS 86 HZ2 LYS 86 4.286 -14.694 4.665 13 HZ3 LYS 86 HZ3 LYS 86 4.217 -13.000 4.692 No H/Q in entry = 13 In of MODEL 14 1 H ILE 87 H ILE 87 0.474 -10.874 0.888 2 HA ILE 87 HA ILE 87 -0.222 -8.096 0.200 3 HB ILE 87 HB ILE 87 -1.593 -10.619 -0.394 4 HG12 ILE 87 HG12 ILE 87 -1.022 -9.358 -2.270 5 HG13 ILE 87 HG13 ILE 87 -2.731 -8.957 -2.060 6 HG21 ILE 87 HG21 ILE 87 -3.211 -8.319 0.677 7 HG22 ILE 87 HG22 ILE 87 -3.875 -9.643 -0.285 8 HG23 ILE 87 HG23 ILE 87 -3.157 -9.971 1.293 9 HD11 ILE 87 HD11 ILE 87 -0.429 -7.286 -1.115 10 HD12 ILE 87 HD12 ILE 87 -1.405 -6.999 -2.553 11 HD13 ILE 87 HD13 ILE 87 -2.142 -6.902 -0.961 No H/Q in entry = 11 In of MODEL 14 1 H VAL 88 H VAL 88 -1.114 -6.767 1.639 2 HA VAL 88 HA VAL 88 -2.040 -7.911 4.186 3 HB VAL 88 HB VAL 88 -0.051 -6.586 4.575 4 HG11 VAL 88 HG11 VAL 88 -0.079 -5.185 2.599 5 HG12 VAL 88 HG12 VAL 88 -1.480 -4.321 3.229 6 HG13 VAL 88 HG13 VAL 88 0.069 -4.208 4.064 7 HG21 VAL 88 HG21 VAL 88 -2.581 -5.214 5.437 8 HG22 VAL 88 HG22 VAL 88 -1.689 -6.462 6.311 9 HG23 VAL 88 HG23 VAL 88 -0.988 -4.853 6.103 No H/Q in entry = 9 In of MODEL 14 1 H LYS 89 H LYS 89 -4.164 -7.619 4.503 2 HA LYS 89 HA LYS 89 -5.482 -5.697 2.726 3 HB2 LYS 89 HB2 LYS 89 -6.714 -8.062 4.142 4 HB3 LYS 89 HB3 LYS 89 -7.477 -7.041 2.928 5 HG2 LYS 89 HG2 LYS 89 -6.232 -7.947 1.189 6 HG3 LYS 89 HG3 LYS 89 -4.957 -8.479 2.282 7 HD2 LYS 89 HD2 LYS 89 -7.711 -9.635 2.393 8 HD3 LYS 89 HD3 LYS 89 -6.457 -10.283 1.323 9 HE2 LYS 89 HE2 LYS 89 -6.032 -9.874 4.266 10 HE3 LYS 89 HE3 LYS 89 -6.679 -11.382 3.610 11 HZ1 LYS 89 HZ1 LYS 89 -4.647 -11.582 2.271 12 HZ2 LYS 89 HZ2 LYS 89 -4.045 -10.165 2.978 13 HZ3 LYS 89 HZ3 LYS 89 -4.304 -11.536 3.931 No H/Q in entry = 13 In of MODEL 14 1 H TRP 90 H TRP 90 -7.052 -4.324 3.520 2 HA TRP 90 HA TRP 90 -6.585 -3.497 6.250 3 HB2 TRP 90 HB2 TRP 90 -6.689 -1.787 4.496 4 HB3 TRP 90 HB3 TRP 90 -8.301 -2.333 4.053 5 HD1 TRP 90 HD1 TRP 90 -6.945 -1.262 7.567 6 HE1 TRP 90 HE1 TRP 90 -8.488 0.566 8.460 7 HE3 TRP 90 HE3 TRP 90 -10.107 -0.800 3.529 8 HZ2 TRP 90 HZ2 TRP 90 -10.802 1.957 7.637 9 HZ3 TRP 90 HZ3 TRP 90 -11.950 0.804 3.669 10 HH2 TRP 90 HH2 TRP 90 -12.300 2.167 5.658 No H/Q in entry = 10 In of MODEL 14 1 H ASP 91 H ASP 91 -7.759 -4.086 7.930 2 HA ASP 91 HA ASP 91 -9.833 -5.993 7.754 3 HB2 ASP 91 HB2 ASP 91 -8.869 -4.267 10.035 4 HB3 ASP 91 HB3 ASP 91 -10.174 -5.434 10.215 No H/Q in entry = 4 In of MODEL 14 1 H ARG 92 H ARG 92 -11.635 -5.367 6.640 2 HA ARG 92 HA ARG 92 -13.589 -3.927 8.066 3 HB2 ARG 92 HB2 ARG 92 -13.690 -1.828 7.053 4 HB3 ARG 92 HB3 ARG 92 -11.955 -2.112 7.044 5 HG2 ARG 92 HG2 ARG 92 -12.281 -1.374 4.897 6 HG3 ARG 92 HG3 ARG 92 -12.362 -3.124 4.665 7 HD2 ARG 92 HD2 ARG 92 -14.864 -2.927 4.854 8 HD3 ARG 92 HD3 ARG 92 -14.666 -1.166 4.802 9 HE ARG 92 HE ARG 92 -13.330 -2.145 2.615 10 HH11 ARG 92 HH11 ARG 92 -16.573 -2.200 3.881 11 HH12 ARG 92 HH12 ARG 92 -17.318 -2.452 2.338 12 HH21 ARG 92 HH21 ARG 92 -14.299 -2.489 0.562 13 HH22 ARG 92 HH22 ARG 92 -16.033 -2.599 0.461 No H/Q in entry = 13 In of MODEL 14 1 H ASP 93 H ASP 93 -12.552 -5.929 5.689 2 HA ASP 93 HA ASP 93 -15.140 -6.489 4.600 3 HB2 ASP 93 HB2 ASP 93 -14.394 -4.530 3.232 4 HB3 ASP 93 HB3 ASP 93 -12.996 -5.477 2.722 No H/Q in entry = 4 In of MODEL 14 1 HA MET 94 HA MET 94 -11.783 -9.557 3.615 2 HB2 MET 94 HB2 MET 94 -9.576 -9.945 4.742 3 HB3 MET 94 HB3 MET 94 -9.721 -8.364 3.972 4 HG2 MET 94 HG2 MET 94 -10.043 -7.270 6.092 5 HG3 MET 94 HG3 MET 94 -10.176 -8.828 6.915 6 HE1 MET 94 HE1 MET 94 -8.197 -10.429 7.433 7 HE2 MET 94 HE2 MET 94 -7.876 -10.578 5.705 8 HE3 MET 94 HE3 MET 94 -6.558 -10.214 6.818 No H/Q in entry = 8 In of MODEL 15 1 HA MET 1 HA MET 1 4.751 -8.236 6.230 2 HB2 MET 1 HB2 MET 1 4.241 -9.357 8.382 3 HB3 MET 1 HB3 MET 1 4.009 -7.783 9.132 4 HG2 MET 1 HG2 MET 1 1.889 -8.839 8.577 5 HG3 MET 1 HG3 MET 1 2.121 -7.344 7.673 6 HE1 MET 1 HE1 MET 1 0.112 -8.105 6.088 7 HE2 MET 1 HE2 MET 1 0.083 -9.630 5.206 8 HE3 MET 1 HE3 MET 1 -0.052 -9.626 6.963 No H/Q in entry = 8 In of MODEL 15 1 H ILE 2 H ILE 2 3.209 -6.741 5.512 2 HA ILE 2 HA ILE 2 3.977 -3.960 5.888 3 HB ILE 2 HB ILE 2 1.696 -4.931 4.163 4 HG12 ILE 2 HG12 ILE 2 4.340 -4.659 2.851 5 HG13 ILE 2 HG13 ILE 2 4.129 -6.082 3.873 6 HG21 ILE 2 HG21 ILE 2 2.015 -2.509 4.454 7 HG22 ILE 2 HG22 ILE 2 3.631 -2.650 3.755 8 HG23 ILE 2 HG23 ILE 2 2.211 -3.028 2.782 9 HD11 ILE 2 HD11 ILE 2 2.140 -6.707 2.589 10 HD12 ILE 2 HD12 ILE 2 2.359 -5.289 1.562 11 HD13 ILE 2 HD13 ILE 2 3.568 -6.578 1.563 No H/Q in entry = 11 In of MODEL 15 1 H GLN 3 H GLN 3 2.405 -2.323 6.522 2 HA GLN 3 HA GLN 3 -0.021 -3.421 7.784 3 HB2 GLN 3 HB2 GLN 3 1.762 -1.213 8.863 4 HB3 GLN 3 HB3 GLN 3 0.230 -1.737 9.580 5 HG2 GLN 3 HG2 GLN 3 1.162 -3.954 10.033 6 HG3 GLN 3 HG3 GLN 3 2.703 -3.452 9.287 7 HE21 GLN 3 HE21 GLN 3 3.888 -3.764 11.142 8 HE22 GLN 3 HE22 GLN 3 3.750 -2.749 12.539 No H/Q in entry = 8 In of MODEL 15 1 H VAL 4 H VAL 4 -1.622 -2.736 6.493 2 HA VAL 4 HA VAL 4 -1.461 -0.101 5.267 3 HB VAL 4 HB VAL 4 -3.703 -0.808 4.205 4 HG11 VAL 4 HG11 VAL 4 -1.224 -2.431 3.640 5 HG12 VAL 4 HG12 VAL 4 -2.590 -2.217 2.544 6 HG13 VAL 4 HG13 VAL 4 -1.593 -0.832 2.993 7 HG21 VAL 4 HG21 VAL 4 -2.843 -3.467 5.341 8 HG22 VAL 4 HG22 VAL 4 -4.289 -2.559 5.779 9 HG23 VAL 4 HG23 VAL 4 -4.125 -3.224 4.154 No H/Q in entry = 9 In of MODEL 15 1 H TYR 5 H TYR 5 -3.005 1.474 5.490 2 HA TYR 5 HA TYR 5 -5.088 1.386 7.451 3 HB2 TYR 5 HB2 TYR 5 -2.493 2.790 8.081 4 HB3 TYR 5 HB3 TYR 5 -4.015 3.367 8.752 5 HD1 TYR 5 HD1 TYR 5 -1.230 1.589 9.584 6 HD2 TYR 5 HD2 TYR 5 -5.463 1.134 9.683 7 HE1 TYR 5 HE1 TYR 5 -1.004 -0.090 11.378 8 HE2 TYR 5 HE2 TYR 5 -5.248 -0.538 11.488 9 HH TYR 5 HH TYR 5 -2.456 -0.967 13.256 No H/Q in entry = 9 In of MODEL 15 1 H SER 6 H SER 6 -5.893 3.774 7.775 2 HA SER 6 HA SER 6 -5.563 5.174 5.205 3 HB2 SER 6 HB2 SER 6 -8.146 4.820 6.754 4 HB3 SER 6 HB3 SER 6 -7.948 5.697 5.229 5 HG SER 6 HG SER 6 -7.593 2.913 5.671 No H/Q in entry = 5 In of MODEL 15 1 H ARG 7 H ARG 7 -6.232 7.417 5.249 2 HA ARG 7 HA ARG 7 -5.282 8.759 7.655 3 HB2 ARG 7 HB2 ARG 7 -4.800 9.371 5.119 4 HB3 ARG 7 HB3 ARG 7 -6.297 10.295 5.288 5 HG2 ARG 7 HG2 ARG 7 -4.192 11.570 5.733 6 HG3 ARG 7 HG3 ARG 7 -5.393 11.615 7.030 7 HD2 ARG 7 HD2 ARG 7 -3.155 11.249 7.931 8 HD3 ARG 7 HD3 ARG 7 -4.202 9.848 8.202 9 HE ARG 7 HE ARG 7 -2.708 9.583 5.789 10 HH11 ARG 7 HH11 ARG 7 -2.457 9.304 9.270 11 HH12 ARG 7 HH12 ARG 7 -1.152 8.152 9.214 12 HH21 ARG 7 HH21 ARG 7 -1.021 8.041 5.706 13 HH22 ARG 7 HH22 ARG 7 -0.347 7.412 7.183 No H/Q in entry = 13 In of MODEL 15 1 H HIS 8 H HIS 8 -8.214 7.847 6.364 2 HA HIS 8 HA HIS 8 -9.702 9.814 7.954 3 HB2 HIS 8 HB2 HIS 8 -10.590 8.796 5.248 4 HB3 HIS 8 HB3 HIS 8 -11.321 10.085 6.194 5 HD2 HIS 8 HD2 HIS 8 -9.478 12.401 6.440 6 HE1 HIS 8 HE1 HIS 8 -7.825 11.508 2.648 7 HE2 HIS 8 HE2 HIS 8 -7.930 13.211 4.517 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 9 HA PRO 9 -12.084 6.286 9.358 2 HB2 PRO 9 HB2 PRO 9 -14.589 7.775 9.140 3 HB3 PRO 9 HB3 PRO 9 -13.744 7.218 10.594 4 HG2 PRO 9 HG2 PRO 9 -13.917 9.850 9.901 5 HG3 PRO 9 HG3 PRO 9 -12.516 9.179 10.763 6 HD2 PRO 9 HD2 PRO 9 -12.830 9.820 7.851 7 HD3 PRO 9 HD3 PRO 9 -11.437 10.124 8.918 No H/Q in entry = 7 In of MODEL 15 1 H ALA 10 H ALA 10 -12.979 4.543 8.345 2 HA ALA 10 HA ALA 10 -13.518 4.518 5.613 3 HB1 ALA 10 HB1 ALA 10 -14.344 2.255 5.939 4 HB2 ALA 10 HB2 ALA 10 -12.909 2.522 6.931 5 HB3 ALA 10 HB3 ALA 10 -14.509 2.544 7.671 No H/Q in entry = 5 In of MODEL 15 1 H GLU 11 H GLU 11 -15.081 5.941 4.841 2 HA GLU 11 HA GLU 11 -17.809 5.395 5.827 3 HB2 GLU 11 HB2 GLU 11 -16.495 7.862 4.821 4 HB3 GLU 11 HB3 GLU 11 -18.191 7.648 4.423 5 HG2 GLU 11 HG2 GLU 11 -17.058 7.593 7.207 6 HG3 GLU 11 HG3 GLU 11 -17.804 8.988 6.436 No H/Q in entry = 6 In of MODEL 15 1 H ASN 12 H ASN 12 -18.837 3.986 4.537 2 HA ASN 12 HA ASN 12 -18.158 3.285 1.943 3 HB2 ASN 12 HB2 ASN 12 -19.571 1.773 3.082 4 HB3 ASN 12 HB3 ASN 12 -20.722 3.025 3.546 5 HD21 ASN 12 HD21 ASN 12 -22.291 3.650 2.085 6 HD22 ASN 12 HD22 ASN 12 -22.642 2.749 0.648 No H/Q in entry = 6 In of MODEL 15 1 H GLY 13 H GLY 13 -18.034 4.561 0.239 2 HA2 GLY 13 HA2 GLY 13 -20.217 6.515 -0.230 3 HA3 GLY 13 HA3 GLY 13 -19.436 5.605 -1.508 No H/Q in entry = 3 In of MODEL 15 1 H LYS 14 H LYS 14 -17.283 6.753 0.941 2 HA LYS 14 HA LYS 14 -16.831 9.290 -0.468 3 HB2 LYS 14 HB2 LYS 14 -15.206 8.181 1.815 4 HB3 LYS 14 HB3 LYS 14 -15.302 9.845 1.275 5 HG2 LYS 14 HG2 LYS 14 -17.651 8.394 2.461 6 HG3 LYS 14 HG3 LYS 14 -16.438 9.232 3.401 7 HD2 LYS 14 HD2 LYS 14 -18.395 10.610 3.076 8 HD3 LYS 14 HD3 LYS 14 -16.942 11.337 2.391 9 HE2 LYS 14 HE2 LYS 14 -17.777 10.307 0.143 10 HE3 LYS 14 HE3 LYS 14 -19.339 10.204 0.968 11 HZ1 LYS 14 HZ1 LYS 14 -19.197 12.586 1.412 12 HZ2 LYS 14 HZ2 LYS 14 -17.724 12.665 0.575 13 HZ3 LYS 14 HZ3 LYS 14 -19.147 12.258 -0.253 No H/Q in entry = 13 In of MODEL 15 1 H SER 15 H SER 15 -14.906 9.896 -1.435 2 HA SER 15 HA SER 15 -12.966 7.759 -1.890 3 HB2 SER 15 HB2 SER 15 -11.918 9.693 -3.365 4 HB3 SER 15 HB3 SER 15 -13.247 8.697 -3.964 5 HG SER 15 HG SER 15 -13.390 11.303 -2.810 No H/Q in entry = 5 In of MODEL 15 1 H ASN 16 H ASN 16 -10.883 7.902 -1.238 2 HA ASN 16 HA ASN 16 -9.905 10.085 0.387 3 HB2 ASN 16 HB2 ASN 16 -10.196 7.363 1.679 4 HB3 ASN 16 HB3 ASN 16 -9.648 8.848 2.431 5 HD21 ASN 16 HD21 ASN 16 -11.106 10.136 3.405 6 HD22 ASN 16 HD22 ASN 16 -12.811 9.824 3.440 No H/Q in entry = 6 In of MODEL 15 1 H PHE 17 H PHE 17 -7.919 8.147 1.662 2 HA PHE 17 HA PHE 17 -6.504 7.371 -0.791 3 HB2 PHE 17 HB2 PHE 17 -5.379 9.050 1.462 4 HB3 PHE 17 HB3 PHE 17 -4.393 8.291 0.219 5 HD1 PHE 17 HD1 PHE 17 -5.861 8.764 -2.214 6 HD2 PHE 17 HD2 PHE 17 -5.286 11.332 1.133 7 HE1 PHE 17 HE1 PHE 17 -6.144 10.726 -3.672 8 HE2 PHE 17 HE2 PHE 17 -5.580 13.294 -0.315 9 HZ PHE 17 HZ PHE 17 -6.009 12.994 -2.719 No H/Q in entry = 9 In of MODEL 15 1 H LEU 18 H LEU 18 -5.578 5.387 -0.664 2 HA LEU 18 HA LEU 18 -5.617 4.018 1.929 3 HB2 LEU 18 HB2 LEU 18 -6.599 2.724 0.177 4 HB3 LEU 18 HB3 LEU 18 -5.252 3.031 -0.898 5 HG LEU 18 HG LEU 18 -3.805 1.546 0.435 6 HD11 LEU 18 HD11 LEU 18 -6.252 1.152 2.161 7 HD12 LEU 18 HD12 LEU 18 -4.801 0.157 2.218 8 HD13 LEU 18 HD13 LEU 18 -4.712 1.863 2.647 9 HD21 LEU 18 HD21 LEU 18 -6.458 0.325 -0.322 10 HD22 LEU 18 HD22 LEU 18 -5.056 0.544 -1.369 11 HD23 LEU 18 HD23 LEU 18 -4.973 -0.576 -0.012 No H/Q in entry = 11 In of MODEL 15 1 H ASN 19 H ASN 19 -3.866 3.697 3.105 2 HA ASN 19 HA ASN 19 -1.267 4.459 1.957 3 HB2 ASN 19 HB2 ASN 19 -2.171 4.386 4.848 4 HB3 ASN 19 HB3 ASN 19 -0.562 4.843 4.303 5 HD21 ASN 19 HD21 ASN 19 -3.899 5.769 4.480 6 HD22 ASN 19 HD22 ASN 19 -3.663 7.438 4.083 No H/Q in entry = 6 In of MODEL 15 1 H CYS 20 H CYS 20 0.164 2.878 1.585 2 HA CYS 20 HA CYS 20 0.038 0.462 3.270 3 HB2 CYS 20 HB2 CYS 20 -0.306 -0.207 1.009 4 HB3 CYS 20 HB3 CYS 20 0.930 0.896 0.391 No H/Q in entry = 4 In of MODEL 15 1 H TYR 21 H TYR 21 1.555 0.583 4.816 2 HA TYR 21 HA TYR 21 3.897 2.292 4.357 3 HB2 TYR 21 HB2 TYR 21 3.021 3.081 6.320 4 HB3 TYR 21 HB3 TYR 21 2.333 1.544 6.781 5 HD1 TYR 21 HD1 TYR 21 3.382 0.208 8.383 6 HD2 TYR 21 HD2 TYR 21 5.495 3.481 6.679 7 HE1 TYR 21 HE1 TYR 21 5.129 -0.044 10.087 8 HE2 TYR 21 HE2 TYR 21 7.252 3.233 8.374 9 HH TYR 21 HH TYR 21 7.442 0.503 10.429 No H/Q in entry = 9 In of MODEL 15 1 H VAL 22 H VAL 22 5.553 1.297 3.474 2 HA VAL 22 HA VAL 22 6.271 -1.425 4.338 3 HB VAL 22 HB VAL 22 7.048 0.093 1.812 4 HG11 VAL 22 HG11 VAL 22 8.645 -1.663 2.524 5 HG12 VAL 22 HG12 VAL 22 7.337 -2.849 2.457 6 HG13 VAL 22 HG13 VAL 22 7.862 -2.028 0.983 7 HG21 VAL 22 HG21 VAL 22 4.950 -2.049 2.190 8 HG22 VAL 22 HG22 VAL 22 4.666 -0.356 1.786 9 HG23 VAL 22 HG23 VAL 22 5.487 -1.413 0.633 No H/Q in entry = 9 In of MODEL 15 1 H SER 23 H SER 23 7.919 -1.298 5.861 2 HA SER 23 HA SER 23 9.923 0.828 5.466 3 HB2 SER 23 HB2 SER 23 9.990 1.183 7.881 4 HB3 SER 23 HB3 SER 23 8.334 1.355 7.298 5 HG SER 23 HG SER 23 8.996 -1.212 8.044 No H/Q in entry = 5 In of MODEL 15 1 H GLY 24 H GLY 24 12.050 0.375 5.879 2 HA2 GLY 24 HA2 GLY 24 12.767 -2.371 6.759 3 HA3 GLY 24 HA3 GLY 24 13.780 -0.949 6.974 No H/Q in entry = 3 In of MODEL 15 1 H PHE 25 H PHE 25 12.209 -1.097 3.987 2 HA PHE 25 HA PHE 25 14.301 -2.707 2.733 3 HB2 PHE 25 HB2 PHE 25 11.655 -1.723 1.641 4 HB3 PHE 25 HB3 PHE 25 12.752 -2.843 0.839 5 HD1 PHE 25 HD1 PHE 25 12.847 -5.167 1.458 6 HD2 PHE 25 HD2 PHE 25 10.414 -2.463 3.678 7 HE1 PHE 25 HE1 PHE 25 11.757 -7.074 2.588 8 HE2 PHE 25 HE2 PHE 25 9.319 -4.367 4.811 9 HZ PHE 25 HZ PHE 25 9.981 -6.665 4.243 No H/Q in entry = 9 In of MODEL 15 1 H HIS 26 H HIS 26 15.422 -2.005 0.893 2 HA HIS 26 HA HIS 26 15.839 0.863 0.741 3 HB2 HIS 26 HB2 HIS 26 17.112 -1.399 -0.827 4 HB3 HIS 26 HB3 HIS 26 17.615 0.286 -0.886 5 HD2 HIS 26 HD2 HIS 26 18.380 1.203 1.877 6 HE1 HIS 26 HE1 HIS 26 19.975 -2.641 2.644 7 HE2 HIS 26 HE2 HIS 26 19.754 -0.270 3.519 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 27 HA PRO 27 12.326 1.337 -1.902 2 HB2 PRO 27 HB2 PRO 27 13.965 3.689 -2.759 3 HB3 PRO 27 HB3 PRO 27 12.242 3.609 -2.362 4 HG2 PRO 27 HG2 PRO 27 13.970 4.555 -0.605 5 HG3 PRO 27 HG3 PRO 27 12.630 3.501 -0.090 6 HD2 PRO 27 HD2 PRO 27 15.547 2.899 -0.327 7 HD3 PRO 27 HD3 PRO 27 14.339 2.234 0.797 No H/Q in entry = 7 In of MODEL 15 1 H SER 28 H SER 28 15.590 1.434 -3.209 2 HA SER 28 HA SER 28 14.764 1.683 -5.913 3 HB2 SER 28 HB2 SER 28 16.975 2.460 -5.055 4 HB3 SER 28 HB3 SER 28 17.451 0.771 -4.855 5 HG SER 28 HG SER 28 17.493 0.488 -7.016 No H/Q in entry = 5 In of MODEL 15 1 H ASP 29 H ASP 29 15.490 -1.151 -3.853 2 HA ASP 29 HA ASP 29 15.067 -2.848 -6.231 3 HB2 ASP 29 HB2 ASP 29 16.369 -3.591 -3.600 4 HB3 ASP 29 HB3 ASP 29 16.143 -4.669 -4.970 No H/Q in entry = 4 In of MODEL 15 1 H ILE 30 H ILE 30 12.771 -1.746 -4.666 2 HA ILE 30 HA ILE 30 11.666 -4.371 -3.954 3 HB ILE 30 HB ILE 30 10.800 -3.757 -1.963 4 HG12 ILE 30 HG12 ILE 30 10.488 -0.882 -2.896 5 HG13 ILE 30 HG13 ILE 30 9.244 -2.122 -2.956 6 HG21 ILE 30 HG21 ILE 30 12.960 -1.688 -2.270 7 HG22 ILE 30 HG22 ILE 30 12.170 -2.074 -0.739 8 HG23 ILE 30 HG23 ILE 30 13.099 -3.308 -1.588 9 HD11 ILE 30 HD11 ILE 30 9.284 -2.291 -0.524 10 HD12 ILE 30 HD12 ILE 30 10.515 -1.026 -0.464 11 HD13 ILE 30 HD13 ILE 30 8.900 -0.660 -1.069 No H/Q in entry = 11 In of MODEL 15 1 H GLU 31 H GLU 31 9.303 -4.485 -4.052 2 HA GLU 31 HA GLU 31 8.168 -2.581 -5.955 3 HB2 GLU 31 HB2 GLU 31 9.125 -5.100 -6.445 4 HB3 GLU 31 HB3 GLU 31 7.403 -5.334 -6.323 5 HG2 GLU 31 HG2 GLU 31 8.869 -3.441 -8.169 6 HG3 GLU 31 HG3 GLU 31 8.031 -4.924 -8.644 No H/Q in entry = 6 In of MODEL 15 1 H VAL 32 H VAL 32 6.260 -1.928 -5.285 2 HA VAL 32 HA VAL 32 4.601 -3.585 -3.528 3 HB VAL 32 HB VAL 32 5.140 -2.385 -1.689 4 HG11 VAL 32 HG11 VAL 32 7.162 -1.585 -2.884 5 HG12 VAL 32 HG12 VAL 32 6.253 -0.159 -3.382 6 HG13 VAL 32 HG13 VAL 32 6.555 -0.461 -1.669 7 HG21 VAL 32 HG21 VAL 32 3.769 -0.110 -3.115 8 HG22 VAL 32 HG22 VAL 32 2.988 -1.360 -2.146 9 HG23 VAL 32 HG23 VAL 32 4.081 -0.208 -1.380 No H/Q in entry = 9 In of MODEL 15 1 H ASP 33 H ASP 33 2.438 -3.444 -3.935 2 HA ASP 33 HA ASP 33 1.508 -1.232 -5.643 3 HB2 ASP 33 HB2 ASP 33 0.826 -4.180 -6.081 4 HB3 ASP 33 HB3 ASP 33 0.082 -2.830 -6.942 No H/Q in entry = 4 In of MODEL 15 1 H LEU 34 H LEU 34 -0.810 -0.958 -5.552 2 HA LEU 34 HA LEU 34 -1.953 -1.862 -2.987 3 HB2 LEU 34 HB2 LEU 34 -2.348 0.620 -4.603 4 HB3 LEU 34 HB3 LEU 34 -3.679 0.050 -3.620 5 HG LEU 34 HG LEU 34 -2.155 0.136 -1.622 6 HD11 LEU 34 HD11 LEU 34 -0.328 1.623 -3.501 7 HD12 LEU 34 HD12 LEU 34 -0.142 1.509 -1.750 8 HD13 LEU 34 HD13 LEU 34 -0.004 0.061 -2.746 9 HD21 LEU 34 HD21 LEU 34 -3.776 1.889 -2.092 10 HD22 LEU 34 HD22 LEU 34 -2.320 2.535 -1.339 11 HD23 LEU 34 HD23 LEU 34 -2.577 2.736 -3.071 No H/Q in entry = 11 In of MODEL 15 1 H LEU 35 H LEU 35 -3.708 -3.171 -2.992 2 HA LEU 35 HA LEU 35 -4.774 -3.944 -5.631 3 HB2 LEU 35 HB2 LEU 35 -4.329 -5.757 -3.255 4 HB3 LEU 35 HB3 LEU 35 -4.935 -6.221 -4.825 5 HG LEU 35 HG LEU 35 -2.138 -5.568 -3.997 6 HD11 LEU 35 HD11 LEU 35 -3.506 -7.790 -5.511 7 HD12 LEU 35 HD12 LEU 35 -1.762 -7.669 -5.311 8 HD13 LEU 35 HD13 LEU 35 -2.800 -7.868 -3.897 9 HD21 LEU 35 HD21 LEU 35 -2.612 -4.182 -6.004 10 HD22 LEU 35 HD22 LEU 35 -1.420 -5.448 -6.288 11 HD23 LEU 35 HD23 LEU 35 -3.073 -5.648 -6.864 No H/Q in entry = 11 In of MODEL 15 1 H LYS 36 H LYS 36 -6.803 -5.137 -5.581 2 HA LYS 36 HA LYS 36 -8.541 -4.674 -3.251 3 HB2 LYS 36 HB2 LYS 36 -9.738 -5.210 -5.933 4 HB3 LYS 36 HB3 LYS 36 -10.379 -4.225 -4.606 5 HG2 LYS 36 HG2 LYS 36 -8.813 -2.458 -5.192 6 HG3 LYS 36 HG3 LYS 36 -8.094 -3.459 -6.444 7 HD2 LYS 36 HD2 LYS 36 -9.644 -1.748 -7.353 8 HD3 LYS 36 HD3 LYS 36 -10.106 -3.404 -7.769 9 HE2 LYS 36 HE2 LYS 36 -12.031 -1.909 -7.123 10 HE3 LYS 36 HE3 LYS 36 -11.902 -3.358 -6.126 11 HZ1 LYS 36 HZ1 LYS 36 -10.789 -1.981 -4.435 12 HZ2 LYS 36 HZ2 LYS 36 -11.005 -0.611 -5.412 13 HZ3 LYS 36 HZ3 LYS 36 -12.347 -1.429 -4.787 No H/Q in entry = 13 In of MODEL 15 1 H ASN 37 H ASN 37 -8.706 -6.653 -2.271 2 HA ASN 37 HA ASN 37 -8.366 -8.915 -2.030 3 HB2 ASN 37 HB2 ASN 37 -10.346 -9.704 -3.926 4 HB3 ASN 37 HB3 ASN 37 -10.544 -9.640 -2.203 5 HD21 ASN 37 HD21 ASN 37 -10.767 -7.758 -5.181 6 HD22 ASN 37 HD22 ASN 37 -11.957 -6.634 -4.597 No H/Q in entry = 6 In of MODEL 15 1 H GLY 38 H GLY 38 -6.314 -8.303 -3.472 2 HA2 GLY 38 HA2 GLY 38 -5.911 -10.582 -5.130 3 HA3 GLY 38 HA3 GLY 38 -4.739 -9.324 -4.819 No H/Q in entry = 3 In of MODEL 15 1 H GLU 39 H GLU 39 -6.663 -7.249 -5.900 2 HA GLU 39 HA GLU 39 -6.221 -7.850 -8.744 3 HB2 GLU 39 HB2 GLU 39 -8.642 -8.084 -8.031 4 HB3 GLU 39 HB3 GLU 39 -8.633 -6.362 -7.679 5 HG2 GLU 39 HG2 GLU 39 -9.612 -6.599 -9.803 6 HG3 GLU 39 HG3 GLU 39 -7.971 -6.010 -10.095 No H/Q in entry = 6 In of MODEL 15 1 H ARG 40 H ARG 40 -4.863 -6.425 -9.561 2 HA ARG 40 HA ARG 40 -3.812 -4.253 -8.130 3 HB2 ARG 40 HB2 ARG 40 -3.050 -5.684 -10.318 4 HB3 ARG 40 HB3 ARG 40 -3.576 -4.209 -11.100 5 HG2 ARG 40 HG2 ARG 40 -2.034 -2.935 -9.629 6 HG3 ARG 40 HG3 ARG 40 -1.443 -4.472 -8.997 7 HD2 ARG 40 HD2 ARG 40 0.123 -3.912 -10.636 8 HD3 ARG 40 HD3 ARG 40 -0.926 -5.053 -11.477 9 HE ARG 40 HE ARG 40 -2.069 -2.983 -12.375 10 HH11 ARG 40 HH11 ARG 40 1.301 -3.067 -11.475 11 HH12 ARG 40 HH12 ARG 40 1.778 -1.811 -12.577 12 HH21 ARG 40 HH21 ARG 40 -1.462 -1.329 -13.858 13 HH22 ARG 40 HH22 ARG 40 0.189 -0.815 -13.929 No H/Q in entry = 13 In of MODEL 15 1 H ILE 41 H ILE 41 -4.542 -2.294 -7.756 2 HA ILE 41 HA ILE 41 -7.008 -1.317 -8.774 3 HB ILE 41 HB ILE 41 -4.862 0.150 -7.230 4 HG12 ILE 41 HG12 ILE 41 -7.271 -1.390 -6.236 5 HG13 ILE 41 HG13 ILE 41 -5.597 -1.919 -6.098 6 HG21 ILE 41 HG21 ILE 41 -7.736 0.834 -7.803 7 HG22 ILE 41 HG22 ILE 41 -6.952 1.405 -6.333 8 HG23 ILE 41 HG23 ILE 41 -6.308 1.860 -7.899 9 HD11 ILE 41 HD11 ILE 41 -6.503 0.643 -4.862 10 HD12 ILE 41 HD12 ILE 41 -6.750 -0.916 -4.063 11 HD13 ILE 41 HD13 ILE 41 -5.119 -0.380 -4.462 No H/Q in entry = 11 In of MODEL 15 1 H GLU 42 H GLU 42 -4.161 0.701 -8.738 2 HA GLU 42 HA GLU 42 -2.745 0.687 -10.777 3 HB2 GLU 42 HB2 GLU 42 -5.255 0.534 -12.113 4 HB3 GLU 42 HB3 GLU 42 -4.588 2.096 -12.477 5 HG2 GLU 42 HG2 GLU 42 -2.549 1.074 -13.229 6 HG3 GLU 42 HG3 GLU 42 -3.185 -0.521 -12.849 No H/Q in entry = 6 In of MODEL 15 1 H LYS 43 H LYS 43 -5.088 2.914 -9.332 2 HA LYS 43 HA LYS 43 -3.881 5.245 -10.541 3 HB2 LYS 43 HB2 LYS 43 -5.816 5.268 -8.239 4 HB3 LYS 43 HB3 LYS 43 -5.579 6.487 -9.479 5 HG2 LYS 43 HG2 LYS 43 -6.975 3.822 -9.800 6 HG3 LYS 43 HG3 LYS 43 -7.702 5.422 -9.839 7 HD2 LYS 43 HD2 LYS 43 -5.748 4.312 -11.846 8 HD3 LYS 43 HD3 LYS 43 -7.487 4.467 -12.070 9 HE2 LYS 43 HE2 LYS 43 -7.260 6.923 -11.778 10 HE3 LYS 43 HE3 LYS 43 -5.508 6.719 -11.702 11 HZ1 LYS 43 HZ1 LYS 43 -5.570 5.765 -13.934 12 HZ2 LYS 43 HZ2 LYS 43 -7.248 5.984 -13.996 13 HZ3 LYS 43 HZ3 LYS 43 -6.220 7.331 -13.926 No H/Q in entry = 13 In of MODEL 15 1 H VAL 44 H VAL 44 -1.826 4.056 -9.388 2 HA VAL 44 HA VAL 44 -1.510 5.309 -6.752 3 HB VAL 44 HB VAL 44 -1.549 2.519 -7.232 4 HG11 VAL 44 HG11 VAL 44 1.205 3.479 -6.522 5 HG12 VAL 44 HG12 VAL 44 0.638 1.816 -6.347 6 HG13 VAL 44 HG13 VAL 44 0.752 2.550 -7.949 7 HG21 VAL 44 HG21 VAL 44 -0.669 4.105 -4.838 8 HG22 VAL 44 HG22 VAL 44 -2.310 3.583 -5.215 9 HG23 VAL 44 HG23 VAL 44 -1.072 2.387 -4.829 No H/Q in entry = 9 In of MODEL 15 1 H GLU 45 H GLU 45 0.204 6.547 -6.590 2 HA GLU 45 HA GLU 45 2.566 6.162 -8.238 3 HB2 GLU 45 HB2 GLU 45 0.920 8.700 -8.486 4 HB3 GLU 45 HB3 GLU 45 2.517 8.465 -9.167 5 HG2 GLU 45 HG2 GLU 45 1.622 6.745 -10.674 6 HG3 GLU 45 HG3 GLU 45 0.019 6.977 -9.969 No H/Q in entry = 6 In of MODEL 15 1 H HIS 46 H HIS 46 4.165 6.355 -6.729 2 HA HIS 46 HA HIS 46 4.645 8.972 -5.728 3 HB2 HIS 46 HB2 HIS 46 3.058 7.935 -3.991 4 HB3 HIS 46 HB3 HIS 46 4.386 6.848 -3.598 5 HD2 HIS 46 HD2 HIS 46 4.261 8.264 -0.988 6 HE1 HIS 46 HE1 HIS 46 6.348 11.584 -2.570 7 HE2 HIS 46 HE2 HIS 46 5.799 10.279 -0.473 No H/Q in entry = 7 In of MODEL 15 1 H SER 47 H SER 47 6.792 9.188 -5.007 2 HA SER 47 HA SER 47 8.432 6.877 -4.628 3 HB2 SER 47 HB2 SER 47 10.068 7.454 -6.454 4 HB3 SER 47 HB3 SER 47 8.518 6.852 -7.043 5 HG SER 47 HG SER 47 7.933 9.165 -7.225 No H/Q in entry = 5 In of MODEL 15 1 H ASP 48 H ASP 48 10.006 7.415 -3.131 2 HA ASP 48 HA ASP 48 10.762 10.239 -3.008 3 HB2 ASP 48 HB2 ASP 48 8.813 9.543 -1.388 4 HB3 ASP 48 HB3 ASP 48 10.124 8.846 -0.437 No H/Q in entry = 4 In of MODEL 15 1 H LEU 49 H LEU 49 12.683 9.442 -3.882 2 HA LEU 49 HA LEU 49 14.760 9.533 -2.101 3 HB2 LEU 49 HB2 LEU 49 15.381 7.461 -1.493 4 HB3 LEU 49 HB3 LEU 49 13.750 6.973 -1.951 5 HG LEU 49 HG LEU 49 15.940 6.957 -4.023 6 HD11 LEU 49 HD11 LEU 49 15.461 4.732 -2.029 7 HD12 LEU 49 HD12 LEU 49 16.355 4.563 -3.534 8 HD13 LEU 49 HD13 LEU 49 16.955 5.643 -2.279 9 HD21 LEU 49 HD21 LEU 49 13.655 6.639 -4.768 10 HD22 LEU 49 HD22 LEU 49 14.596 5.167 -4.990 11 HD23 LEU 49 HD23 LEU 49 13.460 5.291 -3.647 No H/Q in entry = 11 In of MODEL 15 1 H SER 50 H SER 50 16.723 9.761 -3.209 2 HA SER 50 HA SER 50 16.640 9.182 -6.098 3 HB2 SER 50 HB2 SER 50 17.262 11.547 -5.192 4 HB3 SER 50 HB3 SER 50 18.779 10.797 -4.702 5 HG SER 50 HG SER 50 17.742 10.698 -7.347 No H/Q in entry = 5 In of MODEL 15 1 H PHE 51 H PHE 51 18.929 9.228 -3.387 2 HA PHE 51 HA PHE 51 19.280 6.335 -3.789 3 HB2 PHE 51 HB2 PHE 51 21.294 7.544 -4.633 4 HB3 PHE 51 HB3 PHE 51 21.510 8.243 -3.030 5 HD1 PHE 51 HD1 PHE 51 21.383 5.029 -4.865 6 HD2 PHE 51 HD2 PHE 51 22.666 7.079 -1.363 7 HE1 PHE 51 HE1 PHE 51 22.677 3.052 -4.186 8 HE2 PHE 51 HE2 PHE 51 23.965 5.105 -0.681 9 HZ PHE 51 HZ PHE 51 23.973 3.089 -2.093 No H/Q in entry = 9 In of MODEL 15 1 H SER 52 H SER 52 18.989 5.163 -1.980 2 HA SER 52 HA SER 52 18.126 6.483 0.402 3 HB2 SER 52 HB2 SER 52 18.114 4.032 1.249 4 HB3 SER 52 HB3 SER 52 17.015 4.472 -0.059 5 HG SER 52 HG SER 52 19.515 3.147 -0.274 No H/Q in entry = 5 In of MODEL 15 1 H LYS 53 H LYS 53 20.067 7.720 0.884 2 HA LYS 53 HA LYS 53 22.175 6.098 2.158 3 HB2 LYS 53 HB2 LYS 53 22.698 7.740 0.199 4 HB3 LYS 53 HB3 LYS 53 22.508 8.995 1.414 5 HG2 LYS 53 HG2 LYS 53 24.845 8.387 1.126 6 HG3 LYS 53 HG3 LYS 53 24.280 7.982 2.751 7 HD2 LYS 53 HD2 LYS 53 23.951 5.652 2.032 8 HD3 LYS 53 HD3 LYS 53 24.565 6.069 0.432 9 HE2 LYS 53 HE2 LYS 53 26.725 6.599 1.341 10 HE3 LYS 53 HE3 LYS 53 26.131 6.392 2.987 11 HZ1 LYS 53 HZ1 LYS 53 25.702 4.041 2.448 12 HZ2 LYS 53 HZ2 LYS 53 26.415 4.271 0.926 13 HZ3 LYS 53 HZ3 LYS 53 27.344 4.454 2.334 No H/Q in entry = 13 In of MODEL 15 1 H ASP 54 H ASP 54 19.470 7.612 2.875 2 HA ASP 54 HA ASP 54 19.997 7.887 5.644 3 HB2 ASP 54 HB2 ASP 54 21.031 10.027 4.986 4 HB3 ASP 54 HB3 ASP 54 19.557 10.495 4.145 No H/Q in entry = 4 In of MODEL 15 1 H TRP 55 H TRP 55 18.075 7.655 6.724 2 HA TRP 55 HA TRP 55 15.745 7.511 4.951 3 HB2 TRP 55 HB2 TRP 55 16.523 5.528 6.443 4 HB3 TRP 55 HB3 TRP 55 15.760 6.427 7.755 5 HD1 TRP 55 HD1 TRP 55 13.073 7.311 6.897 6 HE1 TRP 55 HE1 TRP 55 11.277 5.772 5.901 7 HE3 TRP 55 HE3 TRP 55 16.044 3.359 5.368 8 HZ2 TRP 55 HZ2 TRP 55 11.093 3.258 4.684 9 HZ3 TRP 55 HZ3 TRP 55 14.940 1.442 4.308 10 HH2 TRP 55 HH2 TRP 55 12.525 1.384 3.973 No H/Q in entry = 10 In of MODEL 15 1 H SER 56 H SER 56 15.228 9.687 4.899 2 HA SER 56 HA SER 56 13.872 10.614 7.337 3 HB2 SER 56 HB2 SER 56 14.478 12.975 6.320 4 HB3 SER 56 HB3 SER 56 15.650 12.099 7.307 5 HG SER 56 HG SER 56 16.844 11.671 5.577 No H/Q in entry = 5 In of MODEL 15 1 H PHE 57 H PHE 57 13.196 9.287 4.629 2 HA PHE 57 HA PHE 57 11.112 11.190 3.800 3 HB2 PHE 57 HB2 PHE 57 11.189 9.410 1.743 4 HB3 PHE 57 HB3 PHE 57 12.087 10.921 1.782 5 HD1 PHE 57 HD1 PHE 57 13.998 10.498 0.574 6 HD2 PHE 57 HD2 PHE 57 12.799 7.699 3.548 7 HE1 PHE 57 HE1 PHE 57 16.100 9.260 0.252 8 HE2 PHE 57 HE2 PHE 57 14.906 6.469 3.247 9 HZ PHE 57 HZ PHE 57 16.552 7.240 1.586 No H/Q in entry = 9 In of MODEL 15 1 H TYR 58 H TYR 58 11.716 7.718 4.386 2 HA TYR 58 HA TYR 58 10.359 5.993 4.840 3 HB2 TYR 58 HB2 TYR 58 8.915 8.283 5.891 4 HB3 TYR 58 HB3 TYR 58 7.809 7.004 5.407 5 HD1 TYR 58 HD1 TYR 58 10.023 8.134 7.982 6 HD2 TYR 58 HD2 TYR 58 8.352 4.612 6.252 7 HE1 TYR 58 HE1 TYR 58 10.587 6.863 10.033 8 HE2 TYR 58 HE2 TYR 58 8.908 3.338 8.294 9 HH TYR 58 HH TYR 58 10.589 3.524 10.168 No H/Q in entry = 9 In of MODEL 15 1 H LEU 59 H LEU 59 8.874 4.573 3.876 2 HA LEU 59 HA LEU 59 8.287 5.313 1.082 3 HB2 LEU 59 HB2 LEU 59 8.829 2.785 2.571 4 HB3 LEU 59 HB3 LEU 59 7.795 2.690 1.165 5 HG LEU 59 HG LEU 59 10.581 3.818 1.081 6 HD11 LEU 59 HD11 LEU 59 9.630 1.018 0.487 7 HD12 LEU 59 HD12 LEU 59 11.250 1.633 0.176 8 HD13 LEU 59 HD13 LEU 59 10.663 1.496 1.833 9 HD21 LEU 59 HD21 LEU 59 8.553 3.009 -0.987 10 HD22 LEU 59 HD22 LEU 59 9.382 4.560 -0.817 11 HD23 LEU 59 HD23 LEU 59 10.270 3.139 -1.360 No H/Q in entry = 11 In of MODEL 15 1 H LEU 60 H LEU 60 6.246 5.827 0.640 2 HA LEU 60 HA LEU 60 4.074 4.119 1.503 3 HB2 LEU 60 HB2 LEU 60 4.211 5.804 3.250 4 HB3 LEU 60 HB3 LEU 60 4.268 7.084 2.059 5 HG LEU 60 HG LEU 60 1.937 6.572 1.422 6 HD11 LEU 60 HD11 LEU 60 2.079 4.628 3.722 7 HD12 LEU 60 HD12 LEU 60 0.616 5.085 2.847 8 HD13 LEU 60 HD13 LEU 60 1.905 4.213 2.017 9 HD21 LEU 60 HD21 LEU 60 2.445 8.286 3.098 10 HD22 LEU 60 HD22 LEU 60 0.908 7.488 3.427 11 HD23 LEU 60 HD23 LEU 60 2.339 7.070 4.370 No H/Q in entry = 11 In of MODEL 15 1 H TYR 61 H TYR 61 2.301 4.257 0.068 2 HA TYR 61 HA TYR 61 2.649 6.019 -2.266 3 HB2 TYR 61 HB2 TYR 61 1.856 3.075 -2.231 4 HB3 TYR 61 HB3 TYR 61 1.670 4.110 -3.653 5 HD1 TYR 61 HD1 TYR 61 4.270 2.827 -1.277 6 HD2 TYR 61 HD2 TYR 61 3.446 4.373 -5.154 7 HE1 TYR 61 HE1 TYR 61 6.588 2.315 -1.981 8 HE2 TYR 61 HE2 TYR 61 5.738 3.853 -5.863 9 HH TYR 61 HH TYR 61 7.791 1.854 -4.119 No H/Q in entry = 9 In of MODEL 15 1 H TYR 62 H TYR 62 0.511 6.459 -3.402 2 HA TYR 62 HA TYR 62 -1.732 6.005 -1.597 3 HB2 TYR 62 HB2 TYR 62 -2.531 8.384 -2.039 4 HB3 TYR 62 HB3 TYR 62 -1.239 8.145 -0.880 5 HD1 TYR 62 HD1 TYR 62 0.501 9.646 -0.936 6 HD2 TYR 62 HD2 TYR 62 -1.613 8.904 -4.565 7 HE1 TYR 62 HE1 TYR 62 1.830 11.390 -2.064 8 HE2 TYR 62 HE2 TYR 62 -0.280 10.635 -5.696 9 HH TYR 62 HH TYR 62 1.034 12.553 -5.219 No H/Q in entry = 9 In of MODEL 15 1 H THR 63 H THR 63 -3.720 5.713 -2.501 2 HA THR 63 HA THR 63 -4.145 6.353 -5.321 3 HB THR 63 HB THR 63 -3.470 3.890 -5.178 4 HG1 THR 63 HG1 THR 63 -6.132 4.277 -6.101 5 HG21 THR 63 HG21 THR 63 -6.137 3.715 -3.784 6 HG22 THR 63 HG22 THR 63 -5.331 2.342 -4.537 7 HG23 THR 63 HG23 THR 63 -4.582 3.162 -3.173 No H/Q in entry = 7 In of MODEL 15 1 H GLU 64 H GLU 64 -6.240 6.905 -5.779 2 HA GLU 64 HA GLU 64 -8.019 7.712 -3.780 3 HB2 GLU 64 HB2 GLU 64 -7.848 8.245 -6.380 4 HB3 GLU 64 HB3 GLU 64 -9.000 6.920 -6.499 5 HG2 GLU 64 HG2 GLU 64 -10.373 8.778 -6.419 6 HG3 GLU 64 HG3 GLU 64 -10.377 8.205 -4.752 No H/Q in entry = 6 In of MODEL 15 1 H PHE 65 H PHE 65 -9.693 6.624 -2.690 2 HA PHE 65 HA PHE 65 -10.512 4.041 -3.812 3 HB2 PHE 65 HB2 PHE 65 -10.326 2.890 -1.760 4 HB3 PHE 65 HB3 PHE 65 -8.844 3.788 -1.963 5 HD1 PHE 65 HD1 PHE 65 -7.955 4.390 0.023 6 HD2 PHE 65 HD2 PHE 65 -12.164 4.665 -0.474 7 HE1 PHE 65 HE1 PHE 65 -8.171 5.294 2.308 8 HE2 PHE 65 HE2 PHE 65 -12.370 5.585 1.803 9 HZ PHE 65 HZ PHE 65 -10.395 5.892 3.194 No H/Q in entry = 9 In of MODEL 15 1 H THR 66 H THR 66 -12.618 3.340 -3.262 2 HA THR 66 HA THR 66 -14.158 5.038 -1.425 3 HB THR 66 HB THR 66 -15.200 3.938 -4.064 4 HG1 THR 66 HG1 THR 66 -14.004 6.334 -3.328 5 HG21 THR 66 HG21 THR 66 -16.492 5.709 -1.969 6 HG22 THR 66 HG22 THR 66 -17.162 5.377 -3.570 7 HG23 THR 66 HG23 THR 66 -16.964 4.065 -2.414 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 67 HA PRO 67 -14.597 0.778 0.069 2 HB2 PRO 67 HB2 PRO 67 -15.966 1.610 2.409 3 HB3 PRO 67 HB3 PRO 67 -14.273 1.146 2.267 4 HG2 PRO 67 HG2 PRO 67 -15.275 3.739 2.785 5 HG3 PRO 67 HG3 PRO 67 -13.596 3.278 2.470 6 HD2 PRO 67 HD2 PRO 67 -15.515 4.623 0.736 7 HD3 PRO 67 HD3 PRO 67 -13.753 4.497 0.576 No H/Q in entry = 7 In of MODEL 15 1 H THR 68 H THR 68 -16.030 -0.616 -0.162 2 HA THR 68 HA THR 68 -18.888 0.049 -0.160 3 HB THR 68 HB THR 68 -19.196 -1.437 -2.104 4 HG1 THR 68 HG1 THR 68 -17.101 -2.060 -3.185 5 HG21 THR 68 HG21 THR 68 -18.772 0.939 -2.576 6 HG22 THR 68 HG22 THR 68 -17.040 0.608 -2.658 7 HG23 THR 68 HG23 THR 68 -18.131 -0.102 -3.848 No H/Q in entry = 7 In of MODEL 15 1 H GLU 69 H GLU 69 -20.191 -1.942 0.309 2 HA GLU 69 HA GLU 69 -19.005 -3.653 2.202 3 HB2 GLU 69 HB2 GLU 69 -21.283 -3.456 2.519 4 HB3 GLU 69 HB3 GLU 69 -21.646 -3.452 0.807 5 HG2 GLU 69 HG2 GLU 69 -21.013 -5.970 0.920 6 HG3 GLU 69 HG3 GLU 69 -21.301 -5.789 2.651 No H/Q in entry = 6 In of MODEL 15 1 H LYS 70 H LYS 70 -18.389 -3.639 -1.043 2 HA LYS 70 HA LYS 70 -18.202 -6.556 -1.208 3 HB2 LYS 70 HB2 LYS 70 -18.410 -4.525 -3.428 4 HB3 LYS 70 HB3 LYS 70 -18.198 -6.247 -3.679 5 HG2 LYS 70 HG2 LYS 70 -20.566 -5.261 -2.124 6 HG3 LYS 70 HG3 LYS 70 -20.550 -5.155 -3.881 7 HD2 LYS 70 HD2 LYS 70 -21.543 -7.200 -3.573 8 HD3 LYS 70 HD3 LYS 70 -19.857 -7.661 -3.769 9 HE2 LYS 70 HE2 LYS 70 -20.833 -8.907 -1.953 10 HE3 LYS 70 HE3 LYS 70 -19.652 -7.786 -1.303 11 HZ1 LYS 70 HZ1 LYS 70 -22.572 -7.304 -1.359 12 HZ2 LYS 70 HZ2 LYS 70 -21.703 -7.865 -0.011 13 HZ3 LYS 70 HZ3 LYS 70 -21.403 -6.322 -0.635 No H/Q in entry = 13 In of MODEL 15 1 H ASP 71 H ASP 71 -16.273 -3.614 -1.717 2 HA ASP 71 HA ASP 71 -14.191 -5.273 -2.897 3 HB2 ASP 71 HB2 ASP 71 -14.345 -2.257 -2.691 4 HB3 ASP 71 HB3 ASP 71 -13.151 -3.179 -3.577 No H/Q in entry = 4 In of MODEL 15 1 H GLU 72 H GLU 72 -12.432 -5.821 -1.840 2 HA GLU 72 HA GLU 72 -11.809 -4.776 0.848 3 HB2 GLU 72 HB2 GLU 72 -12.046 -7.189 0.638 4 HB3 GLU 72 HB3 GLU 72 -10.926 -7.224 -0.712 5 HG2 GLU 72 HG2 GLU 72 -9.143 -6.448 0.877 6 HG3 GLU 72 HG3 GLU 72 -10.307 -6.703 2.173 No H/Q in entry = 6 In of MODEL 15 1 H TYR 73 H TYR 73 -9.644 -3.981 1.273 2 HA TYR 73 HA TYR 73 -8.109 -3.350 -1.168 3 HB2 TYR 73 HB2 TYR 73 -8.536 -1.631 1.290 4 HB3 TYR 73 HB3 TYR 73 -7.330 -1.282 0.062 5 HD1 TYR 73 HD1 TYR 73 -7.918 -0.093 -1.882 6 HD2 TYR 73 HD2 TYR 73 -10.982 -1.732 0.578 7 HE1 TYR 73 HE1 TYR 73 -9.610 1.102 -3.202 8 HE2 TYR 73 HE2 TYR 73 -12.685 -0.516 -0.745 9 HH TYR 73 HH TYR 73 -12.906 1.328 -2.218 No H/Q in entry = 9 In of MODEL 15 1 H ALA 74 H ALA 74 -6.034 -3.934 -1.232 2 HA ALA 74 HA ALA 74 -4.696 -4.814 1.234 3 HB1 ALA 74 HB1 ALA 74 -5.605 -6.799 0.208 4 HB2 ALA 74 HB2 ALA 74 -3.858 -6.786 0.000 5 HB3 ALA 74 HB3 ALA 74 -4.910 -6.353 -1.352 No H/Q in entry = 5 In of MODEL 15 1 H CYS 75 H CYS 75 -2.303 -4.936 1.011 2 HA CYS 75 HA CYS 75 -1.301 -3.586 -1.416 3 HB2 CYS 75 HB2 CYS 75 -1.061 -2.002 0.359 4 HB3 CYS 75 HB3 CYS 75 -0.340 -3.212 1.411 No H/Q in entry = 4 In of MODEL 15 1 H ARG 76 H ARG 76 0.278 -4.594 -2.492 2 HA ARG 76 HA ARG 76 1.312 -7.136 -1.423 3 HB2 ARG 76 HB2 ARG 76 -0.057 -6.923 -3.610 4 HB3 ARG 76 HB3 ARG 76 1.397 -6.201 -4.286 5 HG2 ARG 76 HG2 ARG 76 2.584 -8.235 -4.114 6 HG3 ARG 76 HG3 ARG 76 1.392 -8.937 -3.017 7 HD2 ARG 76 HD2 ARG 76 1.122 -9.906 -5.267 8 HD3 ARG 76 HD3 ARG 76 -0.280 -8.919 -4.844 9 HE ARG 76 HE ARG 76 1.498 -7.261 -6.202 10 HH11 ARG 76 HH11 ARG 76 -0.364 -10.142 -6.873 11 HH12 ARG 76 HH12 ARG 76 -0.510 -9.816 -8.572 12 HH21 ARG 76 HH21 ARG 76 1.311 -6.816 -8.452 13 HH22 ARG 76 HH22 ARG 76 0.412 -7.906 -9.462 No H/Q in entry = 13 In of MODEL 15 1 H VAL 77 H VAL 77 3.493 -7.208 -0.910 2 HA VAL 77 HA VAL 77 5.251 -5.393 -2.422 3 HB VAL 77 HB VAL 77 4.799 -4.601 0.010 4 HG11 VAL 77 HG11 VAL 77 5.131 -6.750 1.108 5 HG12 VAL 77 HG12 VAL 77 6.802 -6.791 0.543 6 HG13 VAL 77 HG13 VAL 77 6.289 -5.551 1.692 7 HG21 VAL 77 HG21 VAL 77 6.503 -3.672 -1.488 8 HG22 VAL 77 HG22 VAL 77 7.062 -3.723 0.186 9 HG23 VAL 77 HG23 VAL 77 7.631 -4.926 -0.973 No H/Q in entry = 9 In of MODEL 15 1 H ASN 78 H ASN 78 7.154 -6.080 -2.991 2 HA ASN 78 HA ASN 78 8.038 -8.772 -2.164 3 HB2 ASN 78 HB2 ASN 78 6.808 -8.947 -4.322 4 HB3 ASN 78 HB3 ASN 78 7.952 -7.813 -5.036 5 HD21 ASN 78 HD21 ASN 78 8.613 -9.285 -6.573 6 HD22 ASN 78 HD22 ASN 78 9.620 -10.639 -6.184 No H/Q in entry = 6 In of MODEL 15 1 H HIS 79 H HIS 79 10.157 -9.085 -2.018 2 HA HIS 79 HA HIS 79 11.981 -7.021 -2.987 3 HB2 HIS 79 HB2 HIS 79 11.537 -6.598 -0.541 4 HB3 HIS 79 HB3 HIS 79 12.122 -8.211 -0.191 5 HD2 HIS 79 HD2 HIS 79 13.459 -4.677 -0.859 6 HE1 HIS 79 HE1 HIS 79 16.754 -7.266 -0.332 7 HE2 HIS 79 HE2 HIS 79 15.976 -4.856 -0.284 No H/Q in entry = 7 In of MODEL 15 1 H VAL 80 H VAL 80 14.216 -7.891 -3.143 2 HA VAL 80 HA VAL 80 14.419 -10.296 -4.452 3 HB VAL 80 HB VAL 80 16.608 -9.052 -2.775 4 HG11 VAL 80 HG11 VAL 80 17.146 -11.343 -3.430 5 HG12 VAL 80 HG12 VAL 80 16.791 -10.955 -5.114 6 HG13 VAL 80 HG13 VAL 80 18.154 -10.185 -4.299 7 HG21 VAL 80 HG21 VAL 80 15.861 -8.608 -5.662 8 HG22 VAL 80 HG22 VAL 80 15.701 -7.448 -4.346 9 HG23 VAL 80 HG23 VAL 80 17.301 -7.967 -4.871 No H/Q in entry = 9 In of MODEL 15 1 H THR 81 H THR 81 14.553 -9.757 -0.965 2 HA THR 81 HA THR 81 15.618 -12.348 -0.355 3 HB THR 81 HB THR 81 15.973 -10.671 1.306 4 HG1 THR 81 HG1 THR 81 15.242 -11.743 3.113 5 HG21 THR 81 HG21 THR 81 12.963 -10.371 1.471 6 HG22 THR 81 HG22 THR 81 14.126 -9.586 2.540 7 HG23 THR 81 HG23 THR 81 14.095 -9.184 0.822 No H/Q in entry = 7 In of MODEL 15 1 H LEU 82 H LEU 82 12.293 -11.035 0.070 2 HA LEU 82 HA LEU 82 11.068 -13.310 0.977 3 HB2 LEU 82 HB2 LEU 82 9.780 -11.452 -1.020 4 HB3 LEU 82 HB3 LEU 82 8.972 -12.486 0.149 5 HG LEU 82 HG LEU 82 10.750 -10.188 0.938 6 HD11 LEU 82 HD11 LEU 82 7.771 -10.297 0.582 7 HD12 LEU 82 HD12 LEU 82 8.636 -9.008 1.417 8 HD13 LEU 82 HD13 LEU 82 8.922 -9.291 -0.300 9 HD21 LEU 82 HD21 LEU 82 10.450 -11.956 2.625 10 HD22 LEU 82 HD22 LEU 82 9.684 -10.443 3.105 11 HD23 LEU 82 HD23 LEU 82 8.702 -11.769 2.487 No H/Q in entry = 11 In of MODEL 15 1 H SER 83 H SER 83 11.328 -12.346 -2.434 2 HA SER 83 HA SER 83 11.328 -13.535 -4.368 3 HB2 SER 83 HB2 SER 83 11.289 -16.026 -2.653 4 HB3 SER 83 HB3 SER 83 11.607 -15.960 -4.387 5 HG SER 83 HG SER 83 13.167 -14.424 -2.620 No H/Q in entry = 5 In of MODEL 15 1 H GLN 84 H GLN 84 9.024 -14.281 -1.863 2 HA GLN 84 HA GLN 84 6.972 -14.307 -3.955 3 HB2 GLN 84 HB2 GLN 84 5.547 -15.761 -2.622 4 HB3 GLN 84 HB3 GLN 84 7.101 -16.537 -2.871 5 HG2 GLN 84 HG2 GLN 84 6.459 -15.025 -0.359 6 HG3 GLN 84 HG3 GLN 84 6.021 -16.716 -0.570 7 HE21 GLN 84 HE21 GLN 84 8.427 -17.294 -2.129 8 HE22 GLN 84 HE22 GLN 84 9.731 -17.346 -0.990 No H/Q in entry = 8 In of MODEL 15 1 HA PRO 85 HA PRO 85 6.041 -10.520 -1.706 2 HB2 PRO 85 HB2 PRO 85 3.839 -9.795 -3.137 3 HB3 PRO 85 HB3 PRO 85 5.512 -9.450 -3.618 4 HG2 PRO 85 HG2 PRO 85 3.657 -11.594 -4.582 5 HG3 PRO 85 HG3 PRO 85 4.854 -10.643 -5.494 6 HD2 PRO 85 HD2 PRO 85 5.312 -13.243 -4.687 7 HD3 PRO 85 HD3 PRO 85 6.624 -12.030 -4.879 No H/Q in entry = 7 In of MODEL 15 1 H LYS 86 H LYS 86 4.386 -9.702 -0.373 2 HA LYS 86 HA LYS 86 2.378 -11.727 0.401 3 HB2 LYS 86 HB2 LYS 86 3.440 -9.507 2.159 4 HB3 LYS 86 HB3 LYS 86 2.486 -10.893 2.663 5 HG2 LYS 86 HG2 LYS 86 4.388 -12.375 2.304 6 HG3 LYS 86 HG3 LYS 86 5.335 -11.031 1.658 7 HD2 LYS 86 HD2 LYS 86 6.120 -11.109 3.805 8 HD3 LYS 86 HD3 LYS 86 4.783 -9.988 4.038 9 HE2 LYS 86 HE2 LYS 86 4.782 -12.954 4.589 10 HE3 LYS 86 HE3 LYS 86 4.758 -11.662 5.785 11 HZ1 LYS 86 HZ1 LYS 86 2.575 -10.999 4.918 12 HZ2 LYS 86 HZ2 LYS 86 2.603 -12.307 3.840 13 HZ3 LYS 86 HZ3 LYS 86 2.570 -12.585 5.510 No H/Q in entry = 13 In of MODEL 15 1 H ILE 87 H ILE 87 0.364 -11.051 1.045 2 HA ILE 87 HA ILE 87 -0.410 -8.345 0.175 3 HB ILE 87 HB ILE 87 -1.790 -10.907 -0.192 4 HG12 ILE 87 HG12 ILE 87 -1.347 -9.759 -2.165 5 HG13 ILE 87 HG13 ILE 87 -3.036 -9.335 -1.876 6 HG21 ILE 87 HG21 ILE 87 -3.335 -8.567 0.896 7 HG22 ILE 87 HG22 ILE 87 -4.077 -9.877 -0.029 8 HG23 ILE 87 HG23 ILE 87 -3.286 -10.219 1.513 9 HD11 ILE 87 HD11 ILE 87 -0.698 -7.620 -1.124 10 HD12 ILE 87 HD12 ILE 87 -1.679 -7.434 -2.572 11 HD13 ILE 87 HD13 ILE 87 -2.408 -7.212 -0.985 No H/Q in entry = 11 In of MODEL 15 1 H VAL 88 H VAL 88 -1.170 -6.940 1.592 2 HA VAL 88 HA VAL 88 -1.985 -7.916 4.244 3 HB VAL 88 HB VAL 88 0.029 -6.573 4.428 4 HG11 VAL 88 HG11 VAL 88 -1.493 -4.403 3.026 5 HG12 VAL 88 HG12 VAL 88 0.085 -4.216 3.789 6 HG13 VAL 88 HG13 VAL 88 -0.099 -5.280 2.390 7 HG21 VAL 88 HG21 VAL 88 -2.448 -5.158 5.365 8 HG22 VAL 88 HG22 VAL 88 -1.502 -6.355 6.249 9 HG23 VAL 88 HG23 VAL 88 -0.818 -4.762 5.914 No H/Q in entry = 9 In of MODEL 15 1 H LYS 89 H LYS 89 -4.114 -7.562 4.684 2 HA LYS 89 HA LYS 89 -5.504 -5.758 2.843 3 HB2 LYS 89 HB2 LYS 89 -6.713 -8.029 4.407 4 HB3 LYS 89 HB3 LYS 89 -7.469 -7.091 3.128 5 HG2 LYS 89 HG2 LYS 89 -6.245 -8.106 1.470 6 HG3 LYS 89 HG3 LYS 89 -4.982 -8.617 2.586 7 HD2 LYS 89 HD2 LYS 89 -7.793 -9.668 2.663 8 HD3 LYS 89 HD3 LYS 89 -6.487 -10.458 1.779 9 HE2 LYS 89 HE2 LYS 89 -5.263 -10.808 3.834 10 HE3 LYS 89 HE3 LYS 89 -6.457 -9.885 4.745 11 HZ1 LYS 89 HZ1 LYS 89 -7.006 -12.422 3.305 12 HZ2 LYS 89 HZ2 LYS 89 -6.761 -12.282 4.978 13 HZ3 LYS 89 HZ3 LYS 89 -8.106 -11.548 4.251 No H/Q in entry = 13 In of MODEL 15 1 H TRP 90 H TRP 90 -7.116 -4.393 3.636 2 HA TRP 90 HA TRP 90 -6.499 -3.439 6.305 3 HB2 TRP 90 HB2 TRP 90 -6.553 -1.832 4.425 4 HB3 TRP 90 HB3 TRP 90 -8.240 -2.249 4.137 5 HD1 TRP 90 HD1 TRP 90 -6.461 -1.116 7.446 6 HE1 TRP 90 HE1 TRP 90 -7.771 0.835 8.398 7 HE3 TRP 90 HE3 TRP 90 -10.007 -0.631 3.739 8 HZ2 TRP 90 HZ2 TRP 90 -10.054 2.356 7.753 9 HZ3 TRP 90 HZ3 TRP 90 -11.715 1.105 3.995 10 HH2 TRP 90 HH2 TRP 90 -11.746 2.594 5.937 No H/Q in entry = 10 In of MODEL 15 1 H ASP 91 H ASP 91 -7.767 -3.545 8.019 2 HA ASP 91 HA ASP 91 -9.867 -5.451 8.152 3 HB2 ASP 91 HB2 ASP 91 -8.868 -3.412 10.141 4 HB3 ASP 91 HB3 ASP 91 -10.158 -4.555 10.498 No H/Q in entry = 4 In of MODEL 15 1 H ARG 92 H ARG 92 -11.665 -4.975 6.987 2 HA ARG 92 HA ARG 92 -13.584 -3.303 8.184 3 HB2 ARG 92 HB2 ARG 92 -13.771 -1.446 6.760 4 HB3 ARG 92 HB3 ARG 92 -12.025 -1.655 6.917 5 HG2 ARG 92 HG2 ARG 92 -12.194 -1.280 4.681 6 HG3 ARG 92 HG3 ARG 92 -12.277 -3.057 4.706 7 HD2 ARG 92 HD2 ARG 92 -14.056 -1.533 3.323 8 HD3 ARG 92 HD3 ARG 92 -14.500 -3.060 4.090 9 HE ARG 92 HE ARG 92 -14.859 -0.740 5.769 10 HH11 ARG 92 HH11 ARG 92 -16.321 -2.884 3.405 11 HH12 ARG 92 HH12 ARG 92 -17.941 -2.486 3.864 12 HH21 ARG 92 HH21 ARG 92 -16.993 -0.229 6.379 13 HH22 ARG 92 HH22 ARG 92 -18.335 -0.959 5.542 No H/Q in entry = 13 In of MODEL 15 1 H ASP 93 H ASP 93 -12.592 -5.649 6.078 2 HA ASP 93 HA ASP 93 -15.182 -6.562 5.387 3 HB2 ASP 93 HB2 ASP 93 -14.602 -4.468 3.859 4 HB3 ASP 93 HB3 ASP 93 -13.714 -5.698 2.949 No H/Q in entry = 4 In of MODEL 15 1 HA MET 94 HA MET 94 -11.288 -9.008 3.987 2 HB2 MET 94 HB2 MET 94 -9.750 -9.739 6.080 3 HB3 MET 94 HB3 MET 94 -9.339 -8.434 4.970 4 HG2 MET 94 HG2 MET 94 -9.002 -7.904 7.392 5 HG3 MET 94 HG3 MET 94 -10.040 -6.753 6.550 6 HE1 MET 94 HE1 MET 94 -10.582 -10.336 8.136 7 HE2 MET 94 HE2 MET 94 -9.643 -9.420 9.317 8 HE3 MET 94 HE3 MET 94 -11.306 -9.885 9.680 No H/Q in entry = 8 In of MODEL 16 1 HA MET 1 HA MET 1 4.328 -8.863 6.005 2 HB2 MET 1 HB2 MET 1 2.868 -8.856 8.627 3 HB3 MET 1 HB3 MET 1 2.056 -8.362 7.151 4 HG2 MET 1 HG2 MET 1 1.504 -10.602 7.424 5 HG3 MET 1 HG3 MET 1 2.757 -10.595 6.188 6 HE1 MET 1 HE1 MET 1 3.068 -13.209 6.536 7 HE2 MET 1 HE2 MET 1 3.400 -13.959 8.097 8 HE3 MET 1 HE3 MET 1 1.833 -13.209 7.795 No H/Q in entry = 8 In of MODEL 16 1 H ILE 2 H ILE 2 2.746 -7.135 5.472 2 HA ILE 2 HA ILE 2 3.766 -4.491 6.182 3 HB ILE 2 HB ILE 2 1.585 -5.177 4.189 4 HG12 ILE 2 HG12 ILE 2 4.282 -4.690 3.108 5 HG13 ILE 2 HG13 ILE 2 4.087 -6.214 3.977 6 HG21 ILE 2 HG21 ILE 2 1.987 -2.769 4.899 7 HG22 ILE 2 HG22 ILE 2 3.526 -2.879 4.037 8 HG23 ILE 2 HG23 ILE 2 2.007 -3.102 3.171 9 HD11 ILE 2 HD11 ILE 2 2.153 -6.747 2.530 10 HD12 ILE 2 HD12 ILE 2 2.473 -5.274 1.615 11 HD13 ILE 2 HD13 ILE 2 3.671 -6.573 1.643 No H/Q in entry = 11 In of MODEL 16 1 H GLN 3 H GLN 3 2.164 -2.823 6.840 2 HA GLN 3 HA GLN 3 -0.330 -3.958 7.901 3 HB2 GLN 3 HB2 GLN 3 1.537 -2.041 9.319 4 HB3 GLN 3 HB3 GLN 3 -0.082 -2.474 9.891 5 HG2 GLN 3 HG2 GLN 3 0.609 -4.828 10.093 6 HG3 GLN 3 HG3 GLN 3 2.242 -4.378 9.540 7 HE21 GLN 3 HE21 GLN 3 0.277 -2.402 11.663 8 HE22 GLN 3 HE22 GLN 3 1.257 -2.603 13.071 No H/Q in entry = 8 In of MODEL 16 1 H VAL 4 H VAL 4 -1.852 -3.066 6.673 2 HA VAL 4 HA VAL 4 -1.558 -0.327 5.732 3 HB VAL 4 HB VAL 4 -3.795 -0.866 4.543 4 HG11 VAL 4 HG11 VAL 4 -1.285 -2.398 3.857 5 HG12 VAL 4 HG12 VAL 4 -2.633 -2.101 2.759 6 HG13 VAL 4 HG13 VAL 4 -1.678 -0.750 3.365 7 HG21 VAL 4 HG21 VAL 4 -4.357 -2.802 5.930 8 HG22 VAL 4 HG22 VAL 4 -4.266 -3.227 4.221 9 HG23 VAL 4 HG23 VAL 4 -2.947 -3.656 5.310 No H/Q in entry = 9 In of MODEL 16 1 H TYR 5 H TYR 5 -3.140 1.234 5.977 2 HA TYR 5 HA TYR 5 -5.235 0.963 7.949 3 HB2 TYR 5 HB2 TYR 5 -2.815 2.724 8.427 4 HB3 TYR 5 HB3 TYR 5 -4.361 3.004 9.221 5 HD1 TYR 5 HD1 TYR 5 -1.249 1.850 9.876 6 HD2 TYR 5 HD2 TYR 5 -5.269 0.466 10.173 7 HE1 TYR 5 HE1 TYR 5 -0.572 0.272 11.642 8 HE2 TYR 5 HE2 TYR 5 -4.594 -1.121 11.943 9 HH TYR 5 HH TYR 5 -2.587 -2.257 12.728 No H/Q in entry = 9 In of MODEL 16 1 H SER 6 H SER 6 -6.343 3.250 8.131 2 HA SER 6 HA SER 6 -6.059 4.570 5.516 3 HB2 SER 6 HB2 SER 6 -8.459 4.998 5.545 4 HB3 SER 6 HB3 SER 6 -8.235 3.262 5.864 5 HG SER 6 HG SER 6 -9.518 5.013 7.361 No H/Q in entry = 5 In of MODEL 16 1 H ARG 7 H ARG 7 -6.467 6.800 5.420 2 HA ARG 7 HA ARG 7 -5.350 8.258 7.610 3 HB2 ARG 7 HB2 ARG 7 -5.395 8.672 4.936 4 HB3 ARG 7 HB3 ARG 7 -6.702 9.745 5.420 5 HG2 ARG 7 HG2 ARG 7 -3.941 9.852 6.610 6 HG3 ARG 7 HG3 ARG 7 -4.457 10.816 5.227 7 HD2 ARG 7 HD2 ARG 7 -6.232 11.810 6.595 8 HD3 ARG 7 HD3 ARG 7 -5.689 10.858 7.977 9 HE ARG 7 HE ARG 7 -3.570 12.426 6.892 10 HH11 ARG 7 HH11 ARG 7 -6.433 12.604 8.899 11 HH12 ARG 7 HH12 ARG 7 -5.886 13.992 9.790 12 HH21 ARG 7 HH21 ARG 7 -2.833 14.243 8.063 13 HH22 ARG 7 HH22 ARG 7 -3.842 14.946 9.295 No H/Q in entry = 13 In of MODEL 16 1 H HIS 8 H HIS 8 -8.574 7.482 6.646 2 HA HIS 8 HA HIS 8 -9.651 9.080 8.819 3 HB2 HIS 8 HB2 HIS 8 -10.290 9.554 5.925 4 HB3 HIS 8 HB3 HIS 8 -11.541 9.802 7.138 5 HD2 HIS 8 HD2 HIS 8 -8.653 11.667 5.553 6 HE1 HIS 8 HE1 HIS 8 -9.650 13.737 9.106 7 HE2 HIS 8 HE2 HIS 8 -8.390 13.866 6.911 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 9 HA PRO 9 -12.392 5.743 9.546 2 HB2 PRO 9 HB2 PRO 9 -14.797 7.455 9.361 3 HB3 PRO 9 HB3 PRO 9 -14.179 6.518 10.733 4 HG2 PRO 9 HG2 PRO 9 -14.005 9.211 10.683 5 HG3 PRO 9 HG3 PRO 9 -12.699 8.213 11.365 6 HD2 PRO 9 HD2 PRO 9 -12.874 9.545 8.684 7 HD3 PRO 9 HD3 PRO 9 -11.486 9.461 9.796 No H/Q in entry = 7 In of MODEL 16 1 H ALA 10 H ALA 10 -13.319 4.157 8.407 2 HA ALA 10 HA ALA 10 -13.680 4.338 5.623 3 HB1 ALA 10 HB1 ALA 10 -14.478 2.048 5.751 4 HB2 ALA 10 HB2 ALA 10 -13.091 2.260 6.817 5 HB3 ALA 10 HB3 ALA 10 -14.720 2.204 7.490 No H/Q in entry = 5 In of MODEL 16 1 H GLU 11 H GLU 11 -15.288 5.693 4.795 2 HA GLU 11 HA GLU 11 -18.009 4.979 5.690 3 HB2 GLU 11 HB2 GLU 11 -16.835 7.578 4.882 4 HB3 GLU 11 HB3 GLU 11 -18.488 7.264 4.368 5 HG2 GLU 11 HG2 GLU 11 -17.430 7.286 7.176 6 HG3 GLU 11 HG3 GLU 11 -18.532 8.439 6.427 No H/Q in entry = 6 In of MODEL 16 1 H ASN 12 H ASN 12 -19.296 3.979 4.257 2 HA ASN 12 HA ASN 12 -18.322 3.206 1.704 3 HB2 ASN 12 HB2 ASN 12 -19.760 1.667 2.797 4 HB3 ASN 12 HB3 ASN 12 -20.989 2.883 3.130 5 HD21 ASN 12 HD21 ASN 12 -22.659 1.865 2.170 6 HD22 ASN 12 HD22 ASN 12 -22.763 1.542 0.469 No H/Q in entry = 6 In of MODEL 16 1 H GLY 13 H GLY 13 -18.044 4.637 0.182 2 HA2 GLY 13 HA2 GLY 13 -20.277 6.487 -0.467 3 HA3 GLY 13 HA3 GLY 13 -19.327 5.658 -1.686 No H/Q in entry = 3 In of MODEL 16 1 H LYS 14 H LYS 14 -17.385 6.717 0.916 2 HA LYS 14 HA LYS 14 -16.941 9.353 -0.325 3 HB2 LYS 14 HB2 LYS 14 -15.435 8.321 2.060 4 HB3 LYS 14 HB3 LYS 14 -15.747 9.982 1.603 5 HG2 LYS 14 HG2 LYS 14 -17.732 8.027 2.732 6 HG3 LYS 14 HG3 LYS 14 -16.972 9.375 3.569 7 HD2 LYS 14 HD2 LYS 14 -18.840 9.605 1.225 8 HD3 LYS 14 HD3 LYS 14 -19.263 9.872 2.928 9 HE2 LYS 14 HE2 LYS 14 -17.319 11.472 1.249 10 HE3 LYS 14 HE3 LYS 14 -18.890 12.000 1.840 11 HZ1 LYS 14 HZ1 LYS 14 -18.048 11.802 4.112 12 HZ2 LYS 14 HZ2 LYS 14 -16.523 11.350 3.517 13 HZ3 LYS 14 HZ3 LYS 14 -17.126 12.898 3.199 No H/Q in entry = 13 In of MODEL 16 1 H SER 15 H SER 15 -14.944 10.040 -1.078 2 HA SER 15 HA SER 15 -12.968 7.945 -1.518 3 HB2 SER 15 HB2 SER 15 -11.886 9.920 -2.874 4 HB3 SER 15 HB3 SER 15 -13.237 9.001 -3.548 5 HG SER 15 HG SER 15 -14.512 10.697 -3.333 No H/Q in entry = 5 In of MODEL 16 1 H ASN 16 H ASN 16 -10.919 8.078 -0.801 2 HA ASN 16 HA ASN 16 -9.981 10.211 0.912 3 HB2 ASN 16 HB2 ASN 16 -10.177 7.431 2.102 4 HB3 ASN 16 HB3 ASN 16 -9.704 8.913 2.911 5 HD21 ASN 16 HD21 ASN 16 -11.258 10.138 3.878 6 HD22 ASN 16 HD22 ASN 16 -12.932 9.701 3.921 No H/Q in entry = 6 In of MODEL 16 1 H PHE 17 H PHE 17 -7.979 8.339 2.099 2 HA PHE 17 HA PHE 17 -6.574 7.524 -0.361 3 HB2 PHE 17 HB2 PHE 17 -5.477 9.070 1.988 4 HB3 PHE 17 HB3 PHE 17 -4.438 8.219 0.852 5 HD1 PHE 17 HD1 PHE 17 -5.872 8.754 -1.666 6 HD2 PHE 17 HD2 PHE 17 -4.965 11.323 1.598 7 HE1 PHE 17 HE1 PHE 17 -5.898 10.688 -3.190 8 HE2 PHE 17 HE2 PHE 17 -5.000 13.263 0.087 9 HZ PHE 17 HZ PHE 17 -5.467 12.948 -2.311 No H/Q in entry = 9 In of MODEL 16 1 H LEU 18 H LEU 18 -5.566 5.541 -0.316 2 HA LEU 18 HA LEU 18 -5.813 4.004 2.169 3 HB2 LEU 18 HB2 LEU 18 -6.673 2.782 0.326 4 HB3 LEU 18 HB3 LEU 18 -5.305 3.189 -0.685 5 HG LEU 18 HG LEU 18 -3.850 1.683 0.627 6 HD11 LEU 18 HD11 LEU 18 -6.352 1.061 2.199 7 HD12 LEU 18 HD12 LEU 18 -4.839 0.165 2.286 8 HD13 LEU 18 HD13 LEU 18 -4.893 1.846 2.809 9 HD21 LEU 18 HD21 LEU 18 -6.416 0.440 -0.359 10 HD22 LEU 18 HD22 LEU 18 -4.942 0.727 -1.286 11 HD23 LEU 18 HD23 LEU 18 -4.947 -0.456 0.020 No H/Q in entry = 11 In of MODEL 16 1 H ASN 19 H ASN 19 -4.143 3.749 3.449 2 HA ASN 19 HA ASN 19 -1.507 4.575 2.442 3 HB2 ASN 19 HB2 ASN 19 -2.814 4.893 5.141 4 HB3 ASN 19 HB3 ASN 19 -1.064 4.998 4.958 5 HD21 ASN 19 HD21 ASN 19 -1.013 7.138 5.566 6 HD22 ASN 19 HD22 ASN 19 -1.594 8.411 4.552 No H/Q in entry = 6 In of MODEL 16 1 H CYS 20 H CYS 20 -0.059 3.020 2.203 2 HA CYS 20 HA CYS 20 -0.251 0.597 3.879 3 HB2 CYS 20 HB2 CYS 20 -0.491 -0.044 1.601 4 HB3 CYS 20 HB3 CYS 20 0.752 1.085 1.052 No H/Q in entry = 4 In of MODEL 16 1 H TYR 21 H TYR 21 1.298 0.516 5.441 2 HA TYR 21 HA TYR 21 3.725 2.106 5.135 3 HB2 TYR 21 HB2 TYR 21 2.806 0.483 7.516 4 HB3 TYR 21 HB3 TYR 21 4.117 1.645 7.497 5 HD1 TYR 21 HD1 TYR 21 0.549 1.145 7.741 6 HD2 TYR 21 HD2 TYR 21 3.608 4.074 7.361 7 HE1 TYR 21 HE1 TYR 21 -1.058 2.898 8.384 8 HE2 TYR 21 HE2 TYR 21 2.012 5.836 8.004 9 HH TYR 21 HH TYR 21 -1.118 5.110 9.266 No H/Q in entry = 9 In of MODEL 16 1 H VAL 22 H VAL 22 5.519 1.225 4.386 2 HA VAL 22 HA VAL 22 5.900 -1.663 4.740 3 HB VAL 22 HB VAL 22 7.136 0.190 2.654 4 HG11 VAL 22 HG11 VAL 22 7.371 -2.811 2.931 5 HG12 VAL 22 HG12 VAL 22 7.985 -1.843 1.590 6 HG13 VAL 22 HG13 VAL 22 8.663 -1.634 3.203 7 HG21 VAL 22 HG21 VAL 22 4.942 -1.875 2.472 8 HG22 VAL 22 HG22 VAL 22 4.832 -0.145 2.135 9 HG23 VAL 22 HG23 VAL 22 5.769 -1.192 1.064 No H/Q in entry = 9 In of MODEL 16 1 H SER 23 H SER 23 7.770 -2.317 5.737 2 HA SER 23 HA SER 23 8.734 -0.488 7.704 3 HB2 SER 23 HB2 SER 23 8.252 -2.932 8.081 4 HB3 SER 23 HB3 SER 23 9.726 -3.301 7.185 5 HG SER 23 HG SER 23 9.685 -1.590 9.454 No H/Q in entry = 5 In of MODEL 16 1 H GLY 24 H GLY 24 11.555 -1.576 7.881 2 HA2 GLY 24 HA2 GLY 24 13.322 -0.066 7.723 3 HA3 GLY 24 HA3 GLY 24 12.437 0.835 6.503 No H/Q in entry = 3 In of MODEL 16 1 H PHE 25 H PHE 25 11.991 -0.645 4.497 2 HA PHE 25 HA PHE 25 14.365 -2.172 3.740 3 HB2 PHE 25 HB2 PHE 25 11.835 -1.531 2.192 4 HB3 PHE 25 HB3 PHE 25 13.110 -2.617 1.664 5 HD1 PHE 25 HD1 PHE 25 10.513 -2.166 4.292 6 HD2 PHE 25 HD2 PHE 25 13.046 -4.916 2.247 7 HE1 PHE 25 HE1 PHE 25 9.316 -4.050 5.353 8 HE2 PHE 25 HE2 PHE 25 11.852 -6.806 3.306 9 HZ PHE 25 HZ PHE 25 9.974 -6.360 4.838 No H/Q in entry = 9 In of MODEL 16 1 H HIS 26 H HIS 26 15.523 -1.543 1.737 2 HA HIS 26 HA HIS 26 15.689 1.350 1.529 3 HB2 HIS 26 HB2 HIS 26 17.361 -0.808 0.217 4 HB3 HIS 26 HB3 HIS 26 17.663 0.928 0.108 5 HD2 HIS 26 HD2 HIS 26 18.156 2.110 2.765 6 HE1 HIS 26 HE1 HIS 26 19.782 -1.538 4.161 7 HE2 HIS 26 HE2 HIS 26 19.529 0.942 4.631 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 27 HA PRO 27 12.371 1.410 -1.270 2 HB2 PRO 27 HB2 PRO 27 13.816 3.791 -2.323 3 HB3 PRO 27 HB3 PRO 27 12.116 3.621 -1.870 4 HG2 PRO 27 HG2 PRO 27 13.877 4.839 -0.260 5 HG3 PRO 27 HG3 PRO 27 12.552 3.836 0.394 6 HD2 PRO 27 HD2 PRO 27 15.475 3.277 0.228 7 HD3 PRO 27 HD3 PRO 27 14.263 2.654 1.368 No H/Q in entry = 7 In of MODEL 16 1 H SER 28 H SER 28 15.628 1.626 -2.602 2 HA SER 28 HA SER 28 14.761 1.593 -5.310 3 HB2 SER 28 HB2 SER 28 16.908 2.590 -4.597 4 HB3 SER 28 HB3 SER 28 17.505 0.984 -4.181 5 HG SER 28 HG SER 28 16.542 1.580 -6.777 No H/Q in entry = 5 In of MODEL 16 1 H ASP 29 H ASP 29 15.572 -0.948 -3.009 2 HA ASP 29 HA ASP 29 15.548 -2.921 -5.188 3 HB2 ASP 29 HB2 ASP 29 16.433 -3.287 -2.323 4 HB3 ASP 29 HB3 ASP 29 16.617 -4.449 -3.632 No H/Q in entry = 4 In of MODEL 16 1 H ILE 30 H ILE 30 13.039 -1.733 -3.959 2 HA ILE 30 HA ILE 30 11.865 -4.342 -3.282 3 HB ILE 30 HB ILE 30 10.857 -3.681 -1.374 4 HG12 ILE 30 HG12 ILE 30 10.640 -0.828 -2.396 5 HG13 ILE 30 HG13 ILE 30 9.383 -2.055 -2.461 6 HG21 ILE 30 HG21 ILE 30 13.047 -1.625 -1.553 7 HG22 ILE 30 HG22 ILE 30 12.157 -2.001 -0.077 8 HG23 ILE 30 HG23 ILE 30 13.140 -3.240 -0.856 9 HD11 ILE 30 HD11 ILE 30 10.588 -0.956 0.069 10 HD12 ILE 30 HD12 ILE 30 9.043 -0.473 -0.627 11 HD13 ILE 30 HD13 ILE 30 9.269 -2.121 -0.043 No H/Q in entry = 11 In of MODEL 16 1 H GLU 31 H GLU 31 9.533 -4.447 -3.572 2 HA GLU 31 HA GLU 31 8.483 -2.545 -5.560 3 HB2 GLU 31 HB2 GLU 31 8.385 -5.568 -5.665 4 HB3 GLU 31 HB3 GLU 31 7.411 -4.519 -6.687 5 HG2 GLU 31 HG2 GLU 31 9.350 -3.615 -7.755 6 HG3 GLU 31 HG3 GLU 31 10.427 -4.403 -6.607 No H/Q in entry = 6 In of MODEL 16 1 H VAL 32 H VAL 32 6.731 -1.619 -4.663 2 HA VAL 32 HA VAL 32 4.874 -3.290 -3.090 3 HB VAL 32 HB VAL 32 5.623 -2.166 -1.243 4 HG11 VAL 32 HG11 VAL 32 7.470 -1.117 -2.477 5 HG12 VAL 32 HG12 VAL 32 6.392 0.194 -2.956 6 HG13 VAL 32 HG13 VAL 32 6.790 -0.049 -1.252 7 HG21 VAL 32 HG21 VAL 32 3.337 -1.359 -1.507 8 HG22 VAL 32 HG22 VAL 32 4.357 -0.143 -0.737 9 HG23 VAL 32 HG23 VAL 32 3.921 0.021 -2.437 No H/Q in entry = 9 In of MODEL 16 1 H ASP 33 H ASP 33 2.727 -3.016 -3.536 2 HA ASP 33 HA ASP 33 1.928 -0.683 -5.140 3 HB2 ASP 33 HB2 ASP 33 1.329 -3.588 -5.874 4 HB3 ASP 33 HB3 ASP 33 0.483 -2.205 -6.557 No H/Q in entry = 4 In of MODEL 16 1 H LEU 34 H LEU 34 -0.492 -0.559 -5.294 2 HA LEU 34 HA LEU 34 -1.748 -1.543 -2.810 3 HB2 LEU 34 HB2 LEU 34 -2.079 1.011 -4.320 4 HB3 LEU 34 HB3 LEU 34 -3.478 0.362 -3.489 5 HG LEU 34 HG LEU 34 -2.107 0.346 -1.366 6 HD11 LEU 34 HD11 LEU 34 0.114 0.419 -2.374 7 HD12 LEU 34 HD12 LEU 34 -0.220 2.040 -2.994 8 HD13 LEU 34 HD13 LEU 34 -0.140 1.755 -1.253 9 HD21 LEU 34 HD21 LEU 34 -3.752 2.070 -1.837 10 HD22 LEU 34 HD22 LEU 34 -2.374 2.711 -0.945 11 HD23 LEU 34 HD23 LEU 34 -2.524 3.017 -2.676 No H/Q in entry = 11 In of MODEL 16 1 H LEU 35 H LEU 35 -3.485 -2.862 -2.976 2 HA LEU 35 HA LEU 35 -4.350 -3.548 -5.711 3 HB2 LEU 35 HB2 LEU 35 -3.959 -5.464 -3.415 4 HB3 LEU 35 HB3 LEU 35 -4.439 -5.862 -5.044 5 HG LEU 35 HG LEU 35 -1.731 -5.137 -3.997 6 HD11 LEU 35 HD11 LEU 35 -2.911 -7.324 -5.707 7 HD12 LEU 35 HD12 LEU 35 -1.189 -7.149 -5.403 8 HD13 LEU 35 HD13 LEU 35 -2.298 -7.467 -4.059 9 HD21 LEU 35 HD21 LEU 35 -2.150 -3.672 -5.980 10 HD22 LEU 35 HD22 LEU 35 -0.867 -4.856 -6.224 11 HD23 LEU 35 HD23 LEU 35 -2.457 -5.124 -6.924 No H/Q in entry = 11 In of MODEL 16 1 H LYS 36 H LYS 36 -6.315 -4.843 -5.817 2 HA LYS 36 HA LYS 36 -8.152 -4.632 -3.529 3 HB2 LYS 36 HB2 LYS 36 -9.184 -5.040 -6.312 4 HB3 LYS 36 HB3 LYS 36 -9.980 -4.266 -4.927 5 HG2 LYS 36 HG2 LYS 36 -8.513 -2.319 -5.238 6 HG3 LYS 36 HG3 LYS 36 -7.741 -3.107 -6.610 7 HD2 LYS 36 HD2 LYS 36 -9.438 -1.402 -7.281 8 HD3 LYS 36 HD3 LYS 36 -9.764 -3.017 -7.930 9 HE2 LYS 36 HE2 LYS 36 -11.802 -1.783 -7.058 10 HE3 LYS 36 HE3 LYS 36 -11.544 -3.356 -6.301 11 HZ1 LYS 36 HZ1 LYS 36 -10.443 -2.124 -4.452 12 HZ2 LYS 36 HZ2 LYS 36 -10.933 -0.673 -5.183 13 HZ3 LYS 36 HZ3 LYS 36 -12.089 -1.783 -4.632 No H/Q in entry = 13 In of MODEL 16 1 H ASN 37 H ASN 37 -8.159 -6.724 -2.676 2 HA ASN 37 HA ASN 37 -8.104 -9.033 -2.639 3 HB2 ASN 37 HB2 ASN 37 -9.767 -8.794 -5.126 4 HB3 ASN 37 HB3 ASN 37 -9.938 -10.009 -3.886 5 HD21 ASN 37 HD21 ASN 37 -10.434 -6.727 -4.846 6 HD22 ASN 37 HD22 ASN 37 -11.661 -6.331 -3.711 No H/Q in entry = 6 In of MODEL 16 1 H GLY 38 H GLY 38 -5.832 -8.050 -3.848 2 HA2 GLY 38 HA2 GLY 38 -5.083 -10.243 -5.530 3 HA3 GLY 38 HA3 GLY 38 -4.038 -8.932 -5.031 No H/Q in entry = 3 In of MODEL 16 1 H GLU 39 H GLU 39 -5.960 -6.903 -6.219 2 HA GLU 39 HA GLU 39 -5.236 -7.341 -9.031 3 HB2 GLU 39 HB2 GLU 39 -7.676 -7.805 -8.599 4 HB3 GLU 39 HB3 GLU 39 -7.850 -6.133 -8.088 5 HG2 GLU 39 HG2 GLU 39 -8.624 -6.389 -10.364 6 HG3 GLU 39 HG3 GLU 39 -7.164 -5.392 -10.328 No H/Q in entry = 6 In of MODEL 16 1 H ARG 40 H ARG 40 -3.864 -5.782 -9.603 2 HA ARG 40 HA ARG 40 -3.228 -3.570 -8.098 3 HB2 ARG 40 HB2 ARG 40 -2.010 -4.656 -10.186 4 HB3 ARG 40 HB3 ARG 40 -2.929 -3.469 -11.098 5 HG2 ARG 40 HG2 ARG 40 -1.900 -1.655 -9.933 6 HG3 ARG 40 HG3 ARG 40 -1.138 -2.765 -8.814 7 HD2 ARG 40 HD2 ARG 40 -0.442 -3.207 -11.656 8 HD3 ARG 40 HD3 ARG 40 0.143 -1.703 -10.947 9 HE ARG 40 HE ARG 40 0.987 -3.340 -9.111 10 HH11 ARG 40 HH11 ARG 40 0.938 -3.946 -12.562 11 HH12 ARG 40 HH12 ARG 40 2.486 -4.743 -12.563 12 HH21 ARG 40 HH21 ARG 40 3.036 -4.349 -9.115 13 HH22 ARG 40 HH22 ARG 40 3.666 -4.986 -10.614 No H/Q in entry = 13 In of MODEL 16 1 H ILE 41 H ILE 41 -4.148 -1.729 -7.667 2 HA ILE 41 HA ILE 41 -6.682 -0.992 -8.632 3 HB ILE 41 HB ILE 41 -4.666 0.611 -7.048 4 HG12 ILE 41 HG12 ILE 41 -7.046 -1.029 -6.186 5 HG13 ILE 41 HG13 ILE 41 -5.371 -1.545 -6.050 6 HG21 ILE 41 HG21 ILE 41 -6.334 2.109 -8.062 7 HG22 ILE 41 HG22 ILE 41 -7.628 1.107 -7.406 8 HG23 ILE 41 HG23 ILE 41 -6.557 1.988 -6.317 9 HD11 ILE 41 HD11 ILE 41 -6.338 0.941 -4.704 10 HD12 ILE 41 HD12 ILE 41 -6.548 -0.663 -3.985 11 HD13 ILE 41 HD13 ILE 41 -4.927 -0.066 -4.347 No H/Q in entry = 11 In of MODEL 16 1 H GLU 42 H GLU 42 -4.084 1.395 -8.694 2 HA GLU 42 HA GLU 42 -2.804 1.405 -10.963 3 HB2 GLU 42 HB2 GLU 42 -5.572 2.328 -11.750 4 HB3 GLU 42 HB3 GLU 42 -4.135 2.866 -12.599 5 HG2 GLU 42 HG2 GLU 42 -3.691 0.285 -12.816 6 HG3 GLU 42 HG3 GLU 42 -5.440 0.204 -12.567 No H/Q in entry = 6 In of MODEL 16 1 H LYS 43 H LYS 43 -5.040 3.541 -9.146 2 HA LYS 43 HA LYS 43 -3.760 5.927 -10.124 3 HB2 LYS 43 HB2 LYS 43 -5.685 5.735 -7.812 4 HB3 LYS 43 HB3 LYS 43 -5.354 7.130 -8.818 5 HG2 LYS 43 HG2 LYS 43 -6.961 4.678 -9.533 6 HG3 LYS 43 HG3 LYS 43 -7.513 6.345 -9.400 7 HD2 LYS 43 HD2 LYS 43 -5.910 6.860 -11.309 8 HD3 LYS 43 HD3 LYS 43 -5.794 5.110 -11.525 9 HE2 LYS 43 HE2 LYS 43 -8.228 4.982 -11.809 10 HE3 LYS 43 HE3 LYS 43 -8.344 6.727 -11.584 11 HZ1 LYS 43 HZ1 LYS 43 -6.902 5.365 -13.798 12 HZ2 LYS 43 HZ2 LYS 43 -8.411 6.124 -13.918 13 HZ3 LYS 43 HZ3 LYS 43 -7.027 7.042 -13.582 No H/Q in entry = 13 In of MODEL 16 1 H VAL 44 H VAL 44 -1.679 4.633 -9.001 2 HA VAL 44 HA VAL 44 -1.495 5.737 -6.288 3 HB VAL 44 HB VAL 44 -1.475 3.025 -6.838 4 HG11 VAL 44 HG11 VAL 44 1.363 3.904 -6.427 5 HG12 VAL 44 HG12 VAL 44 0.782 2.241 -6.301 6 HG13 VAL 44 HG13 VAL 44 0.718 3.087 -7.850 7 HG21 VAL 44 HG21 VAL 44 -1.950 4.032 -4.696 8 HG22 VAL 44 HG22 VAL 44 -0.733 2.766 -4.527 9 HG23 VAL 44 HG23 VAL 44 -0.251 4.463 -4.502 No H/Q in entry = 9 In of MODEL 16 1 H GLU 45 H GLU 45 0.128 7.083 -6.000 2 HA GLU 45 HA GLU 45 2.493 6.917 -7.726 3 HB2 GLU 45 HB2 GLU 45 0.539 9.158 -7.706 4 HB3 GLU 45 HB3 GLU 45 2.245 9.564 -7.829 5 HG2 GLU 45 HG2 GLU 45 0.775 7.698 -9.672 6 HG3 GLU 45 HG3 GLU 45 1.129 9.394 -10.011 No H/Q in entry = 6 In of MODEL 16 1 H HIS 46 H HIS 46 4.012 6.614 -6.241 2 HA HIS 46 HA HIS 46 4.380 8.794 -4.302 3 HB2 HIS 46 HB2 HIS 46 4.354 6.562 -3.261 4 HB3 HIS 46 HB3 HIS 46 5.629 6.002 -4.345 5 HD2 HIS 46 HD2 HIS 46 5.360 8.932 -1.661 6 HE1 HIS 46 HE1 HIS 46 9.181 7.120 -1.525 7 HE2 HIS 46 HE2 HIS 46 7.760 9.046 -0.688 No H/Q in entry = 7 In of MODEL 16 1 H SER 47 H SER 47 7.192 8.885 -4.060 2 HA SER 47 HA SER 47 7.851 9.710 -6.770 3 HB2 SER 47 HB2 SER 47 8.246 11.495 -4.341 4 HB3 SER 47 HB3 SER 47 8.667 11.881 -6.010 5 HG SER 47 HG SER 47 6.268 11.484 -6.366 No H/Q in entry = 5 In of MODEL 16 1 H ASP 48 H ASP 48 9.859 8.786 -7.179 2 HA ASP 48 HA ASP 48 10.993 7.558 -4.761 3 HB2 ASP 48 HB2 ASP 48 11.615 5.635 -6.102 4 HB3 ASP 48 HB3 ASP 48 9.896 5.967 -6.262 No H/Q in entry = 4 In of MODEL 16 1 H LEU 49 H LEU 49 13.203 6.968 -4.812 2 HA LEU 49 HA LEU 49 14.741 9.307 -5.692 3 HB2 LEU 49 HB2 LEU 49 16.359 7.710 -4.041 4 HB3 LEU 49 HB3 LEU 49 15.564 9.233 -3.606 5 HG LEU 49 HG LEU 49 13.500 7.713 -3.078 6 HD11 LEU 49 HD11 LEU 49 14.326 5.674 -4.106 7 HD12 LEU 49 HD12 LEU 49 15.677 5.632 -2.972 8 HD13 LEU 49 HD13 LEU 49 14.023 5.432 -2.386 9 HD21 LEU 49 HD21 LEU 49 15.926 7.622 -1.265 10 HD22 LEU 49 HD22 LEU 49 14.649 8.844 -1.270 11 HD23 LEU 49 HD23 LEU 49 14.283 7.187 -0.798 No H/Q in entry = 11 In of MODEL 16 1 H SER 50 H SER 50 17.302 8.379 -5.633 2 HA SER 50 HA SER 50 17.346 6.784 -8.093 3 HB2 SER 50 HB2 SER 50 19.634 8.255 -6.758 4 HB3 SER 50 HB3 SER 50 19.603 7.603 -8.398 5 HG SER 50 HG SER 50 17.588 9.404 -7.727 No H/Q in entry = 5 In of MODEL 16 1 H PHE 51 H PHE 51 18.823 6.927 -4.887 2 HA PHE 51 HA PHE 51 18.864 4.089 -4.598 3 HB2 PHE 51 HB2 PHE 51 20.906 4.515 -6.038 4 HB3 PHE 51 HB3 PHE 51 21.554 5.488 -4.723 5 HD1 PHE 51 HD1 PHE 51 22.704 4.491 -2.945 6 HD2 PHE 51 HD2 PHE 51 20.427 2.073 -5.605 7 HE1 PHE 51 HE1 PHE 51 23.660 2.469 -1.918 8 HE2 PHE 51 HE2 PHE 51 21.380 0.047 -4.588 9 HZ PHE 51 HZ PHE 51 22.998 0.242 -2.740 No H/Q in entry = 9 In of MODEL 16 1 H SER 52 H SER 52 19.517 3.530 -2.383 2 HA SER 52 HA SER 52 18.656 5.558 -0.567 3 HB2 SER 52 HB2 SER 52 18.201 3.072 -0.346 4 HB3 SER 52 HB3 SER 52 19.878 2.892 0.166 5 HG SER 52 HG SER 52 19.388 4.411 1.869 No H/Q in entry = 5 In of MODEL 16 1 H LYS 53 H LYS 53 20.197 7.196 -0.824 2 HA LYS 53 HA LYS 53 22.779 6.648 0.493 3 HB2 LYS 53 HB2 LYS 53 22.107 8.634 -1.679 4 HB3 LYS 53 HB3 LYS 53 23.619 8.653 -0.781 5 HG2 LYS 53 HG2 LYS 53 24.165 6.440 -1.606 6 HG3 LYS 53 HG3 LYS 53 22.625 6.363 -2.463 7 HD2 LYS 53 HD2 LYS 53 23.275 8.230 -3.863 8 HD3 LYS 53 HD3 LYS 53 24.780 8.415 -2.959 9 HE2 LYS 53 HE2 LYS 53 23.999 5.958 -4.523 10 HE3 LYS 53 HE3 LYS 53 25.062 7.231 -5.118 11 HZ1 LYS 53 HZ1 LYS 53 25.575 5.537 -2.728 12 HZ2 LYS 53 HZ2 LYS 53 26.308 5.353 -4.243 13 HZ3 LYS 53 HZ3 LYS 53 26.603 6.747 -3.325 No H/Q in entry = 13 In of MODEL 16 1 H ASP 54 H ASP 54 19.919 8.544 0.381 2 HA ASP 54 HA ASP 54 20.637 9.766 2.932 3 HB2 ASP 54 HB2 ASP 54 21.114 11.408 0.946 4 HB3 ASP 54 HB3 ASP 54 19.359 11.559 0.867 No H/Q in entry = 4 In of MODEL 16 1 H TRP 55 H TRP 55 19.138 7.786 3.040 2 HA TRP 55 HA TRP 55 16.344 8.691 2.866 3 HB2 TRP 55 HB2 TRP 55 16.744 6.922 1.244 4 HB3 TRP 55 HB3 TRP 55 17.470 5.905 2.484 5 HD1 TRP 55 HD1 TRP 55 14.051 7.219 1.298 6 HE1 TRP 55 HE1 TRP 55 12.220 5.754 2.333 7 HE3 TRP 55 HE3 TRP 55 16.938 4.305 4.457 8 HZ2 TRP 55 HZ2 TRP 55 11.988 3.699 4.189 9 HZ3 TRP 55 HZ3 TRP 55 15.784 2.615 5.816 10 HH2 TRP 55 HH2 TRP 55 13.368 2.309 5.690 No H/Q in entry = 10 In of MODEL 16 1 H SER 56 H SER 56 15.150 8.576 4.685 2 HA SER 56 HA SER 56 15.927 6.665 6.717 3 HB2 SER 56 HB2 SER 56 15.540 8.400 8.535 4 HB3 SER 56 HB3 SER 56 17.027 8.581 7.601 5 HG SER 56 HG SER 56 16.273 10.565 7.432 No H/Q in entry = 5 In of MODEL 16 1 H PHE 57 H PHE 57 13.403 9.086 5.720 2 HA PHE 57 HA PHE 57 11.387 8.154 7.269 3 HB2 PHE 57 HB2 PHE 57 9.915 9.303 5.740 4 HB3 PHE 57 HB3 PHE 57 11.389 10.232 5.948 5 HD1 PHE 57 HD1 PHE 57 13.276 9.480 4.087 6 HD2 PHE 57 HD2 PHE 57 9.051 9.298 3.626 7 HE1 PHE 57 HE1 PHE 57 13.548 9.588 1.644 8 HE2 PHE 57 HE2 PHE 57 9.316 9.407 1.183 9 HZ PHE 57 HZ PHE 57 11.562 9.545 0.189 No H/Q in entry = 9 In of MODEL 16 1 H TYR 58 H TYR 58 10.606 6.196 7.455 2 HA TYR 58 HA TYR 58 9.757 4.137 6.262 3 HB2 TYR 58 HB2 TYR 58 7.507 4.404 7.062 4 HB3 TYR 58 HB3 TYR 58 8.587 5.240 8.171 5 HD1 TYR 58 HD1 TYR 58 8.993 7.771 6.461 6 HD2 TYR 58 HD2 TYR 58 5.479 5.634 7.551 7 HE1 TYR 58 HE1 TYR 58 7.670 9.827 6.191 8 HE2 TYR 58 HE2 TYR 58 4.137 7.694 7.273 9 HH TYR 58 HH TYR 58 4.630 10.219 7.391 No H/Q in entry = 9 In of MODEL 16 1 H LEU 59 H LEU 59 8.286 3.321 4.728 2 HA LEU 59 HA LEU 59 8.180 4.969 2.281 3 HB2 LEU 59 HB2 LEU 59 8.666 2.115 2.880 4 HB3 LEU 59 HB3 LEU 59 7.679 2.426 1.472 5 HG LEU 59 HG LEU 59 10.335 3.816 1.713 6 HD11 LEU 59 HD11 LEU 59 10.679 1.402 2.247 7 HD12 LEU 59 HD12 LEU 59 9.951 0.998 0.694 8 HD13 LEU 59 HD13 LEU 59 11.454 1.915 0.755 9 HD21 LEU 59 HD21 LEU 59 8.689 2.729 -0.582 10 HD22 LEU 59 HD22 LEU 59 8.836 4.423 -0.119 11 HD23 LEU 59 HD23 LEU 59 10.239 3.561 -0.751 No H/Q in entry = 11 In of MODEL 16 1 H LEU 60 H LEU 60 6.242 5.668 1.692 2 HA LEU 60 HA LEU 60 3.859 4.046 2.227 3 HB2 LEU 60 HB2 LEU 60 3.868 5.680 3.963 4 HB3 LEU 60 HB3 LEU 60 4.298 6.953 2.845 5 HG LEU 60 HG LEU 60 2.055 6.713 1.787 6 HD11 LEU 60 HD11 LEU 60 1.609 4.408 2.468 7 HD12 LEU 60 HD12 LEU 60 1.501 4.930 4.148 8 HD13 LEU 60 HD13 LEU 60 0.320 5.499 2.973 9 HD21 LEU 60 HD21 LEU 60 2.505 8.448 3.435 10 HD22 LEU 60 HD22 LEU 60 0.851 7.853 3.580 11 HD23 LEU 60 HD23 LEU 60 2.080 7.337 4.736 No H/Q in entry = 11 In of MODEL 16 1 H TYR 61 H TYR 61 2.271 4.191 0.662 2 HA TYR 61 HA TYR 61 2.725 5.988 -1.616 3 HB2 TYR 61 HB2 TYR 61 1.924 3.050 -1.685 4 HB3 TYR 61 HB3 TYR 61 1.759 4.123 -3.083 5 HD1 TYR 61 HD1 TYR 61 3.466 4.081 -4.643 6 HD2 TYR 61 HD2 TYR 61 4.424 3.115 -0.616 7 HE1 TYR 61 HE1 TYR 61 5.772 3.590 -5.327 8 HE2 TYR 61 HE2 TYR 61 6.748 2.623 -1.297 9 HH TYR 61 HH TYR 61 7.982 3.454 -4.364 No H/Q in entry = 9 In of MODEL 16 1 H TYR 62 H TYR 62 0.612 6.444 -2.847 2 HA TYR 62 HA TYR 62 -1.677 6.028 -1.106 3 HB2 TYR 62 HB2 TYR 62 -2.380 8.447 -1.398 4 HB3 TYR 62 HB3 TYR 62 -1.110 8.093 -0.247 5 HD1 TYR 62 HD1 TYR 62 0.873 9.315 -0.302 6 HD2 TYR 62 HD2 TYR 62 -1.621 9.327 -3.755 7 HE1 TYR 62 HE1 TYR 62 2.252 11.090 -1.288 8 HE2 TYR 62 HE2 TYR 62 -0.239 11.098 -4.751 9 HH TYR 62 HH TYR 62 1.290 12.853 -4.044 No H/Q in entry = 9 In of MODEL 16 1 H THR 63 H THR 63 -3.678 5.912 -2.075 2 HA THR 63 HA THR 63 -3.971 6.634 -4.889 3 HB THR 63 HB THR 63 -3.331 4.161 -4.799 4 HG1 THR 63 HG1 THR 63 -5.942 4.655 -5.821 5 HG21 THR 63 HG21 THR 63 -6.015 4.017 -3.453 6 HG22 THR 63 HG22 THR 63 -5.315 2.655 -4.318 7 HG23 THR 63 HG23 THR 63 -4.494 3.316 -2.911 No H/Q in entry = 7 In of MODEL 16 1 H GLU 64 H GLU 64 -6.017 7.262 -5.406 2 HA GLU 64 HA GLU 64 -7.909 7.957 -3.441 3 HB2 GLU 64 HB2 GLU 64 -7.586 8.804 -5.919 4 HB3 GLU 64 HB3 GLU 64 -8.670 7.478 -6.311 5 HG2 GLU 64 HG2 GLU 64 -10.411 8.397 -4.928 6 HG3 GLU 64 HG3 GLU 64 -9.350 9.700 -4.389 No H/Q in entry = 6 In of MODEL 16 1 H PHE 65 H PHE 65 -9.715 6.871 -2.618 2 HA PHE 65 HA PHE 65 -10.498 4.377 -3.940 3 HB2 PHE 65 HB2 PHE 65 -10.481 3.096 -1.928 4 HB3 PHE 65 HB3 PHE 65 -8.937 3.898 -2.050 5 HD1 PHE 65 HD1 PHE 65 -12.245 4.896 -0.604 6 HD2 PHE 65 HD2 PHE 65 -8.070 4.381 -0.016 7 HE1 PHE 65 HE1 PHE 65 -12.473 5.693 1.714 8 HE2 PHE 65 HE2 PHE 65 -8.307 5.181 2.309 9 HZ PHE 65 HZ PHE 65 -10.521 5.832 3.171 No H/Q in entry = 9 In of MODEL 16 1 H THR 66 H THR 66 -12.652 3.659 -3.462 2 HA THR 66 HA THR 66 -14.203 5.271 -1.563 3 HB THR 66 HB THR 66 -15.189 4.364 -4.295 4 HG1 THR 66 HG1 THR 66 -13.901 6.590 -3.486 5 HG21 THR 66 HG21 THR 66 -16.584 5.897 -2.086 6 HG22 THR 66 HG22 THR 66 -17.213 5.672 -3.721 7 HG23 THR 66 HG23 THR 66 -16.983 4.278 -2.668 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 67 HA PRO 67 -14.630 0.943 -0.321 2 HB2 PRO 67 HB2 PRO 67 -16.014 1.648 2.061 3 HB3 PRO 67 HB3 PRO 67 -14.321 1.197 1.889 4 HG2 PRO 67 HG2 PRO 67 -15.318 3.745 2.559 5 HG3 PRO 67 HG3 PRO 67 -13.644 3.323 2.169 6 HD2 PRO 67 HD2 PRO 67 -15.650 4.711 0.558 7 HD3 PRO 67 HD3 PRO 67 -13.886 4.671 0.376 No H/Q in entry = 7 In of MODEL 16 1 H THR 68 H THR 68 -16.037 -0.522 -0.380 2 HA THR 68 HA THR 68 -18.907 -0.004 -0.296 3 HB THR 68 HB THR 68 -19.324 -1.333 -2.267 4 HG1 THR 68 HG1 THR 68 -16.991 -1.827 -3.362 5 HG21 THR 68 HG21 THR 68 -18.744 1.013 -2.745 6 HG22 THR 68 HG22 THR 68 -17.058 0.539 -2.952 7 HG23 THR 68 HG23 THR 68 -18.285 -0.067 -4.063 No H/Q in entry = 7 In of MODEL 16 1 H GLU 69 H GLU 69 -20.041 -2.084 0.289 2 HA GLU 69 HA GLU 69 -18.437 -3.758 1.921 3 HB2 GLU 69 HB2 GLU 69 -20.478 -5.253 2.025 4 HB3 GLU 69 HB3 GLU 69 -20.632 -3.628 2.672 5 HG2 GLU 69 HG2 GLU 69 -21.827 -2.954 0.671 6 HG3 GLU 69 HG3 GLU 69 -21.618 -4.571 -0.005 No H/Q in entry = 6 In of MODEL 16 1 H LYS 70 H LYS 70 -18.231 -3.654 -1.268 2 HA LYS 70 HA LYS 70 -18.050 -6.561 -1.562 3 HB2 LYS 70 HB2 LYS 70 -18.186 -4.476 -3.745 4 HB3 LYS 70 HB3 LYS 70 -18.176 -6.214 -3.977 5 HG2 LYS 70 HG2 LYS 70 -20.365 -5.010 -2.347 6 HG3 LYS 70 HG3 LYS 70 -20.411 -4.836 -4.097 7 HD2 LYS 70 HD2 LYS 70 -21.690 -6.741 -3.571 8 HD3 LYS 70 HD3 LYS 70 -20.171 -7.338 -4.233 9 HE2 LYS 70 HE2 LYS 70 -19.380 -7.872 -2.025 10 HE3 LYS 70 HE3 LYS 70 -20.801 -7.125 -1.292 11 HZ1 LYS 70 HZ1 LYS 70 -20.833 -9.501 -3.086 12 HZ2 LYS 70 HZ2 LYS 70 -20.941 -9.557 -1.395 13 HZ3 LYS 70 HZ3 LYS 70 -22.173 -8.821 -2.301 No H/Q in entry = 13 In of MODEL 16 1 H ASP 71 H ASP 71 -16.216 -3.554 -2.009 2 HA ASP 71 HA ASP 71 -14.054 -5.096 -3.199 3 HB2 ASP 71 HB2 ASP 71 -14.179 -2.097 -2.797 4 HB3 ASP 71 HB3 ASP 71 -13.078 -2.995 -3.832 No H/Q in entry = 4 In of MODEL 16 1 H GLU 72 H GLU 72 -12.294 -5.652 -2.223 2 HA GLU 72 HA GLU 72 -11.634 -4.871 0.540 3 HB2 GLU 72 HB2 GLU 72 -11.906 -7.220 0.044 4 HB3 GLU 72 HB3 GLU 72 -10.861 -7.127 -1.345 5 HG2 GLU 72 HG2 GLU 72 -9.725 -6.580 1.342 6 HG3 GLU 72 HG3 GLU 72 -10.109 -8.232 0.894 No H/Q in entry = 6 In of MODEL 16 1 H TYR 73 H TYR 73 -9.589 -3.907 0.977 2 HA TYR 73 HA TYR 73 -7.943 -3.198 -1.384 3 HB2 TYR 73 HB2 TYR 73 -8.463 -1.587 1.132 4 HB3 TYR 73 HB3 TYR 73 -7.242 -1.172 -0.064 5 HD1 TYR 73 HD1 TYR 73 -7.814 0.048 -1.993 6 HD2 TYR 73 HD2 TYR 73 -10.888 -1.680 0.388 7 HE1 TYR 73 HE1 TYR 73 -9.506 1.258 -3.309 8 HE2 TYR 73 HE2 TYR 73 -12.586 -0.465 -0.924 9 HH TYR 73 HH TYR 73 -12.793 1.463 -2.357 No H/Q in entry = 9 In of MODEL 16 1 H ALA 74 H ALA 74 -5.865 -3.811 -1.385 2 HA ALA 74 HA ALA 74 -4.634 -4.734 1.121 3 HB1 ALA 74 HB1 ALA 74 -5.543 -6.656 -0.080 4 HB2 ALA 74 HB2 ALA 74 -3.779 -6.688 -0.071 5 HB3 ALA 74 HB3 ALA 74 -4.645 -6.180 -1.524 No H/Q in entry = 5 In of MODEL 16 1 H CYS 75 H CYS 75 -2.262 -4.816 1.039 2 HA CYS 75 HA CYS 75 -1.121 -3.322 -1.246 3 HB2 CYS 75 HB2 CYS 75 -1.100 -1.851 0.638 4 HB3 CYS 75 HB3 CYS 75 -0.421 -3.098 1.672 No H/Q in entry = 4 In of MODEL 16 1 H ARG 76 H ARG 76 0.579 -4.274 -2.272 2 HA ARG 76 HA ARG 76 1.531 -6.857 -1.221 3 HB2 ARG 76 HB2 ARG 76 0.284 -6.539 -3.486 4 HB3 ARG 76 HB3 ARG 76 1.820 -5.904 -4.057 5 HG2 ARG 76 HG2 ARG 76 2.861 -7.984 -3.873 6 HG3 ARG 76 HG3 ARG 76 1.637 -8.617 -2.770 7 HD2 ARG 76 HD2 ARG 76 1.370 -9.617 -5.013 8 HD3 ARG 76 HD3 ARG 76 -0.017 -8.607 -4.592 9 HE ARG 76 HE ARG 76 1.940 -7.110 -6.027 10 HH11 ARG 76 HH11 ARG 76 -0.604 -9.495 -6.476 11 HH12 ARG 76 HH12 ARG 76 -0.908 -9.033 -8.128 12 HH21 ARG 76 HH21 ARG 76 1.561 -6.534 -8.177 13 HH22 ARG 76 HH22 ARG 76 0.353 -7.368 -9.116 No H/Q in entry = 13 In of MODEL 16 1 H VAL 77 H VAL 77 3.697 -7.015 -0.653 2 HA VAL 77 HA VAL 77 5.553 -5.183 -2.017 3 HB VAL 77 HB VAL 77 4.985 -4.505 0.437 4 HG11 VAL 77 HG11 VAL 77 6.975 -6.714 0.930 5 HG12 VAL 77 HG12 VAL 77 6.459 -5.512 2.113 6 HG13 VAL 77 HG13 VAL 77 5.296 -6.672 1.473 7 HG21 VAL 77 HG21 VAL 77 6.729 -3.485 -0.953 8 HG22 VAL 77 HG22 VAL 77 7.215 -3.596 0.740 9 HG23 VAL 77 HG23 VAL 77 7.859 -4.740 -0.444 No H/Q in entry = 9 In of MODEL 16 1 H ASN 78 H ASN 78 7.370 -5.969 -2.679 2 HA ASN 78 HA ASN 78 8.235 -8.650 -1.766 3 HB2 ASN 78 HB2 ASN 78 7.110 -8.704 -4.035 4 HB3 ASN 78 HB3 ASN 78 8.437 -7.709 -4.636 5 HD21 ASN 78 HD21 ASN 78 9.060 -9.328 -6.076 6 HD22 ASN 78 HD22 ASN 78 9.874 -10.759 -5.549 No H/Q in entry = 6 In of MODEL 16 1 H HIS 79 H HIS 79 10.357 -9.020 -1.573 2 HA HIS 79 HA HIS 79 12.257 -6.991 -2.461 3 HB2 HIS 79 HB2 HIS 79 11.681 -6.708 0.041 4 HB3 HIS 79 HB3 HIS 79 12.479 -8.256 0.278 5 HD2 HIS 79 HD2 HIS 79 13.331 -4.580 0.037 6 HE1 HIS 79 HE1 HIS 79 16.961 -6.714 -0.285 7 HE2 HIS 79 HE2 HIS 79 15.914 -4.411 -0.153 No H/Q in entry = 7 In of MODEL 16 1 H VAL 80 H VAL 80 14.362 -7.867 -2.724 2 HA VAL 80 HA VAL 80 14.273 -10.402 -3.938 3 HB VAL 80 HB VAL 80 15.623 -8.592 -4.727 4 HG11 VAL 80 HG11 VAL 80 16.501 -7.707 -2.671 5 HG12 VAL 80 HG12 VAL 80 17.550 -9.119 -2.529 6 HG13 VAL 80 HG13 VAL 80 17.758 -7.997 -3.866 7 HG21 VAL 80 HG21 VAL 80 17.171 -11.105 -4.208 8 HG22 VAL 80 HG22 VAL 80 16.088 -10.793 -5.566 9 HG23 VAL 80 HG23 VAL 80 17.597 -9.892 -5.417 No H/Q in entry = 9 In of MODEL 16 1 H THR 81 H THR 81 14.513 -9.770 -0.729 2 HA THR 81 HA THR 81 16.075 -12.132 -0.109 3 HB THR 81 HB THR 81 16.300 -10.705 1.689 4 HG1 THR 81 HG1 THR 81 15.158 -11.544 3.402 5 HG21 THR 81 HG21 THR 81 14.675 -9.075 0.700 6 HG22 THR 81 HG22 THR 81 13.385 -9.949 1.539 7 HG23 THR 81 HG23 THR 81 14.654 -9.151 2.470 No H/Q in entry = 7 In of MODEL 16 1 H LEU 82 H LEU 82 12.657 -11.138 0.231 2 HA LEU 82 HA LEU 82 11.574 -13.666 0.769 3 HB2 LEU 82 HB2 LEU 82 10.188 -11.528 -0.854 4 HB3 LEU 82 HB3 LEU 82 9.450 -12.783 0.119 5 HG LEU 82 HG LEU 82 11.095 -10.591 1.346 6 HD11 LEU 82 HD11 LEU 82 8.124 -10.674 0.898 7 HD12 LEU 82 HD12 LEU 82 8.990 -9.485 1.873 8 HD13 LEU 82 HD13 LEU 82 9.268 -9.569 0.135 9 HD21 LEU 82 HD21 LEU 82 10.754 -12.621 2.685 10 HD22 LEU 82 HD22 LEU 82 9.908 -11.233 3.367 11 HD23 LEU 82 HD23 LEU 82 9.008 -12.458 2.470 No H/Q in entry = 11 In of MODEL 16 1 H SER 83 H SER 83 10.407 -15.103 -0.613 2 HA SER 83 HA SER 83 11.323 -15.111 -3.429 3 HB2 SER 83 HB2 SER 83 11.975 -17.053 -1.921 4 HB3 SER 83 HB3 SER 83 10.262 -17.459 -1.828 5 HG SER 83 HG SER 83 11.131 -17.093 -4.397 No H/Q in entry = 5 In of MODEL 16 1 H GLN 84 H GLN 84 8.866 -14.264 -1.527 2 HA GLN 84 HA GLN 84 6.899 -14.344 -3.635 3 HB2 GLN 84 HB2 GLN 84 5.158 -15.407 -2.198 4 HB3 GLN 84 HB3 GLN 84 6.474 -16.501 -2.596 5 HG2 GLN 84 HG2 GLN 84 7.452 -16.066 -0.352 6 HG3 GLN 84 HG3 GLN 84 6.056 -15.057 0.023 7 HE21 GLN 84 HE21 GLN 84 5.857 -17.991 -1.856 8 HE22 GLN 84 HE22 GLN 84 5.000 -18.919 -0.675 No H/Q in entry = 8 In of MODEL 16 1 HA PRO 85 HA PRO 85 6.236 -10.422 -1.436 2 HB2 PRO 85 HB2 PRO 85 4.115 -9.570 -2.938 3 HB3 PRO 85 HB3 PRO 85 5.815 -9.290 -3.349 4 HG2 PRO 85 HG2 PRO 85 3.901 -11.303 -4.442 5 HG3 PRO 85 HG3 PRO 85 5.218 -10.434 -5.264 6 HD2 PRO 85 HD2 PRO 85 5.422 -13.079 -4.460 7 HD3 PRO 85 HD3 PRO 85 6.834 -11.980 -4.594 No H/Q in entry = 7 In of MODEL 16 1 H LYS 86 H LYS 86 4.568 -9.519 -0.149 2 HA LYS 86 HA LYS 86 2.574 -11.548 0.601 3 HB2 LYS 86 HB2 LYS 86 3.439 -9.255 2.344 4 HB3 LYS 86 HB3 LYS 86 2.633 -10.744 2.820 5 HG2 LYS 86 HG2 LYS 86 5.504 -10.430 1.945 6 HG3 LYS 86 HG3 LYS 86 4.930 -10.742 3.577 7 HD2 LYS 86 HD2 LYS 86 4.309 -12.646 1.348 8 HD3 LYS 86 HD3 LYS 86 5.869 -12.698 2.163 9 HE2 LYS 86 HE2 LYS 86 4.549 -14.271 3.302 10 HE3 LYS 86 HE3 LYS 86 4.545 -12.846 4.342 11 HZ1 LYS 86 HZ1 LYS 86 2.386 -13.502 2.403 12 HZ2 LYS 86 HZ2 LYS 86 2.330 -13.904 4.045 13 HZ3 LYS 86 HZ3 LYS 86 2.355 -12.275 3.577 No H/Q in entry = 13 In of MODEL 16 1 H ILE 87 H ILE 87 0.499 -10.917 1.036 2 HA ILE 87 HA ILE 87 -0.240 -8.192 0.193 3 HB ILE 87 HB ILE 87 -1.550 -10.735 -0.434 4 HG12 ILE 87 HG12 ILE 87 -0.968 -9.431 -2.284 5 HG13 ILE 87 HG13 ILE 87 -2.691 -9.080 -2.114 6 HG21 ILE 87 HG21 ILE 87 -3.214 -8.495 0.684 7 HG22 ILE 87 HG22 ILE 87 -3.859 -9.771 -0.354 8 HG23 ILE 87 HG23 ILE 87 -3.163 -10.176 1.216 9 HD11 ILE 87 HD11 ILE 87 -0.487 -7.354 -1.048 10 HD12 ILE 87 HD12 ILE 87 -1.353 -7.091 -2.558 11 HD13 ILE 87 HD13 ILE 87 -2.215 -7.011 -1.024 No H/Q in entry = 11 In of MODEL 16 1 H VAL 88 H VAL 88 -1.102 -6.885 1.594 2 HA VAL 88 HA VAL 88 -2.069 -7.978 4.149 3 HB VAL 88 HB VAL 88 -0.092 -6.625 4.508 4 HG11 VAL 88 HG11 VAL 88 -0.107 -5.280 2.503 5 HG12 VAL 88 HG12 VAL 88 -1.527 -4.409 3.089 6 HG13 VAL 88 HG13 VAL 88 0.009 -4.261 3.943 7 HG21 VAL 88 HG21 VAL 88 -2.681 -5.374 5.345 8 HG22 VAL 88 HG22 VAL 88 -1.641 -6.455 6.270 9 HG23 VAL 88 HG23 VAL 88 -1.120 -4.797 5.940 No H/Q in entry = 9 In of MODEL 16 1 H LYS 89 H LYS 89 -4.229 -7.739 4.405 2 HA LYS 89 HA LYS 89 -5.534 -5.861 2.567 3 HB2 LYS 89 HB2 LYS 89 -6.759 -8.256 3.932 4 HB3 LYS 89 HB3 LYS 89 -7.489 -7.245 2.687 5 HG2 LYS 89 HG2 LYS 89 -6.198 -8.134 1.012 6 HG3 LYS 89 HG3 LYS 89 -4.933 -8.645 2.130 7 HD2 LYS 89 HD2 LYS 89 -7.681 -9.857 2.138 8 HD3 LYS 89 HD3 LYS 89 -6.368 -10.491 1.144 9 HE2 LYS 89 HE2 LYS 89 -5.023 -10.745 3.240 10 HE3 LYS 89 HE3 LYS 89 -6.459 -10.278 4.152 11 HZ1 LYS 89 HZ1 LYS 89 -6.265 -12.627 2.341 12 HZ2 LYS 89 HZ2 LYS 89 -6.189 -12.681 4.036 13 HZ3 LYS 89 HZ3 LYS 89 -7.619 -12.191 3.266 No H/Q in entry = 13 In of MODEL 16 1 H TRP 90 H TRP 90 -7.070 -4.468 3.350 2 HA TRP 90 HA TRP 90 -6.518 -3.721 6.066 3 HB2 TRP 90 HB2 TRP 90 -6.612 -1.930 4.412 4 HB3 TRP 90 HB3 TRP 90 -8.271 -2.377 4.008 5 HD1 TRP 90 HD1 TRP 90 -6.724 -1.654 7.541 6 HE1 TRP 90 HE1 TRP 90 -8.174 0.080 8.678 7 HE3 TRP 90 HE3 TRP 90 -9.977 -0.714 3.680 8 HZ2 TRP 90 HZ2 TRP 90 -10.448 1.657 8.067 9 HZ3 TRP 90 HZ3 TRP 90 -11.751 0.944 4.039 10 HH2 TRP 90 HH2 TRP 90 -11.994 2.109 6.164 No H/Q in entry = 10 In of MODEL 16 1 H ASP 91 H ASP 91 -7.534 -4.304 7.733 2 HA ASP 91 HA ASP 91 -9.706 -6.075 7.844 3 HB2 ASP 91 HB2 ASP 91 -8.007 -5.301 9.758 4 HB3 ASP 91 HB3 ASP 91 -9.373 -4.266 10.193 No H/Q in entry = 4 In of MODEL 16 1 H ARG 92 H ARG 92 -11.565 -5.550 6.818 2 HA ARG 92 HA ARG 92 -13.503 -4.050 8.116 3 HB2 ARG 92 HB2 ARG 92 -13.617 -1.960 7.072 4 HB3 ARG 92 HB3 ARG 92 -11.879 -2.222 7.119 5 HG2 ARG 92 HG2 ARG 92 -12.140 -1.491 4.963 6 HG3 ARG 92 HG3 ARG 92 -12.192 -3.240 4.730 7 HD2 ARG 92 HD2 ARG 92 -14.694 -3.089 4.772 8 HD3 ARG 92 HD3 ARG 92 -14.543 -1.326 4.804 9 HE ARG 92 HE ARG 92 -14.213 -3.063 2.553 10 HH11 ARG 92 HH11 ARG 92 -13.267 -0.005 3.940 11 HH12 ARG 92 HH12 ARG 92 -12.952 0.742 2.412 12 HH21 ARG 92 HH21 ARG 92 -13.813 -2.107 0.531 13 HH22 ARG 92 HH22 ARG 92 -13.260 -0.461 0.461 No H/Q in entry = 13 In of MODEL 16 1 H ASP 93 H ASP 93 -12.360 -5.974 5.711 2 HA ASP 93 HA ASP 93 -14.899 -6.609 4.549 3 HB2 ASP 93 HB2 ASP 93 -14.328 -4.557 3.312 4 HB3 ASP 93 HB3 ASP 93 -12.793 -5.288 2.819 No H/Q in entry = 4 In of MODEL 16 1 HA MET 94 HA MET 94 -10.682 -8.861 3.206 2 HB2 MET 94 HB2 MET 94 -9.764 -10.008 5.622 3 HB3 MET 94 HB3 MET 94 -8.938 -8.868 4.570 4 HG2 MET 94 HG2 MET 94 -9.019 -8.167 6.973 5 HG3 MET 94 HG3 MET 94 -9.695 -6.977 5.857 6 HE1 MET 94 HE1 MET 94 -10.324 -9.507 8.748 7 HE2 MET 94 HE2 MET 94 -12.084 -9.613 8.808 8 HE3 MET 94 HE3 MET 94 -11.205 -10.306 7.446 No H/Q in entry = 8 In of MODEL 17 1 HA MET 1 HA MET 1 4.044 -8.472 6.183 2 HB2 MET 1 HB2 MET 1 3.928 -9.495 8.421 3 HB3 MET 1 HB3 MET 1 4.320 -7.945 9.152 4 HG2 MET 1 HG2 MET 1 2.252 -6.997 8.314 5 HG3 MET 1 HG3 MET 1 1.864 -8.512 7.505 6 HE1 MET 1 HE1 MET 1 3.492 -8.061 11.059 7 HE2 MET 1 HE2 MET 1 2.352 -6.719 10.969 8 HE3 MET 1 HE3 MET 1 2.066 -8.045 12.096 No H/Q in entry = 8 In of MODEL 17 1 H ILE 2 H ILE 2 2.898 -6.744 5.585 2 HA ILE 2 HA ILE 2 3.999 -4.073 6.118 3 HB ILE 2 HB ILE 2 1.736 -4.781 4.233 4 HG12 ILE 2 HG12 ILE 2 3.866 -4.395 2.562 5 HG13 ILE 2 HG13 ILE 2 4.597 -5.330 3.862 6 HG21 ILE 2 HG21 ILE 2 1.996 -2.421 4.752 7 HG22 ILE 2 HG22 ILE 2 3.667 -2.474 4.176 8 HG23 ILE 2 HG23 ILE 2 2.340 -2.772 3.062 9 HD11 ILE 2 HD11 ILE 2 2.132 -6.148 2.334 10 HD12 ILE 2 HD12 ILE 2 3.768 -6.743 2.040 11 HD13 ILE 2 HD13 ILE 2 2.967 -7.086 3.575 No H/Q in entry = 11 In of MODEL 17 1 H GLN 3 H GLN 3 2.547 -2.383 6.956 2 HA GLN 3 HA GLN 3 0.060 -3.481 8.089 3 HB2 GLN 3 HB2 GLN 3 1.939 -1.446 9.327 4 HB3 GLN 3 HB3 GLN 3 0.361 -1.882 9.980 5 HG2 GLN 3 HG2 GLN 3 2.005 -3.062 11.224 6 HG3 GLN 3 HG3 GLN 3 1.158 -4.252 10.224 7 HE21 GLN 3 HE21 GLN 3 3.703 -2.006 9.203 8 HE22 GLN 3 HE22 GLN 3 4.869 -3.233 8.841 No H/Q in entry = 8 In of MODEL 17 1 H VAL 4 H VAL 4 -1.543 -2.689 6.887 2 HA VAL 4 HA VAL 4 -1.345 -0.023 5.731 3 HB VAL 4 HB VAL 4 -3.593 -0.717 4.629 4 HG11 VAL 4 HG11 VAL 4 -1.051 -2.223 4.026 5 HG12 VAL 4 HG12 VAL 4 -2.418 -2.008 2.930 6 HG13 VAL 4 HG13 VAL 4 -1.471 -0.611 3.439 7 HG21 VAL 4 HG21 VAL 4 -4.019 -2.615 6.151 8 HG22 VAL 4 HG22 VAL 4 -3.972 -3.084 4.447 9 HG23 VAL 4 HG23 VAL 4 -2.594 -3.420 5.491 No H/Q in entry = 9 In of MODEL 17 1 H TYR 5 H TYR 5 -3.048 1.499 5.799 2 HA TYR 5 HA TYR 5 -5.018 1.394 7.927 3 HB2 TYR 5 HB2 TYR 5 -2.734 3.383 8.001 4 HB3 TYR 5 HB3 TYR 5 -4.222 3.573 8.914 5 HD1 TYR 5 HD1 TYR 5 -0.941 2.846 9.328 6 HD2 TYR 5 HD2 TYR 5 -4.723 1.101 10.237 7 HE1 TYR 5 HE1 TYR 5 0.082 1.622 11.192 8 HE2 TYR 5 HE2 TYR 5 -3.698 -0.149 12.106 9 HH TYR 5 HH TYR 5 -0.571 0.563 13.275 No H/Q in entry = 9 In of MODEL 17 1 H SER 6 H SER 6 -6.066 3.763 8.005 2 HA SER 6 HA SER 6 -5.885 5.021 5.344 3 HB2 SER 6 HB2 SER 6 -8.430 4.524 6.919 4 HB3 SER 6 HB3 SER 6 -8.314 5.439 5.408 5 HG SER 6 HG SER 6 -7.240 2.875 5.393 No H/Q in entry = 5 In of MODEL 17 1 H ARG 7 H ARG 7 -6.590 7.241 5.272 2 HA ARG 7 HA ARG 7 -5.564 8.739 7.516 3 HB2 ARG 7 HB2 ARG 7 -5.614 9.166 4.818 4 HB3 ARG 7 HB3 ARG 7 -6.946 10.192 5.338 5 HG2 ARG 7 HG2 ARG 7 -4.119 10.346 6.366 6 HG3 ARG 7 HG3 ARG 7 -4.834 11.407 5.155 7 HD2 ARG 7 HD2 ARG 7 -6.595 11.938 6.934 8 HD3 ARG 7 HD3 ARG 7 -5.476 11.191 8.078 9 HE ARG 7 HE ARG 7 -4.564 13.392 6.348 10 HH11 ARG 7 HH11 ARG 7 -5.260 12.166 9.563 11 HH12 ARG 7 HH12 ARG 7 -4.405 13.448 10.368 12 HH21 ARG 7 HH21 ARG 7 -3.441 15.070 7.410 13 HH22 ARG 7 HH22 ARG 7 -3.384 15.105 9.149 No H/Q in entry = 13 In of MODEL 17 1 H HIS 8 H HIS 8 -8.669 7.777 6.388 2 HA HIS 8 HA HIS 8 -10.012 9.525 8.304 3 HB2 HIS 8 HB2 HIS 8 -10.629 9.355 5.346 4 HB3 HIS 8 HB3 HIS 8 -11.735 10.049 6.523 5 HD2 HIS 8 HD2 HIS 8 -10.932 12.505 7.624 6 HE1 HIS 8 HE1 HIS 8 -7.899 13.137 4.744 7 HE2 HIS 8 HE2 HIS 8 -9.411 14.245 6.448 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 9 HA PRO 9 -12.639 6.087 9.088 2 HB2 PRO 9 HB2 PRO 9 -15.185 7.403 8.790 3 HB3 PRO 9 HB3 PRO 9 -14.333 6.969 10.283 4 HG2 PRO 9 HG2 PRO 9 -14.730 9.559 9.359 5 HG3 PRO 9 HG3 PRO 9 -13.470 9.071 10.505 6 HD2 PRO 9 HD2 PRO 9 -13.258 9.703 7.598 7 HD3 PRO 9 HD3 PRO 9 -12.072 9.914 8.904 No H/Q in entry = 7 In of MODEL 17 1 H ALA 10 H ALA 10 -13.399 4.352 7.980 2 HA ALA 10 HA ALA 10 -13.826 4.308 5.242 3 HB1 ALA 10 HB1 ALA 10 -14.672 2.046 5.571 4 HB2 ALA 10 HB2 ALA 10 -13.279 2.330 6.614 5 HB3 ALA 10 HB3 ALA 10 -14.908 2.365 7.288 No H/Q in entry = 5 In of MODEL 17 1 H GLU 11 H GLU 11 -15.380 5.759 4.424 2 HA GLU 11 HA GLU 11 -18.137 5.204 5.282 3 HB2 GLU 11 HB2 GLU 11 -16.792 7.662 4.335 4 HB3 GLU 11 HB3 GLU 11 -18.429 7.410 3.743 5 HG2 GLU 11 HG2 GLU 11 -17.553 7.537 6.610 6 HG3 GLU 11 HG3 GLU 11 -18.468 8.751 5.729 No H/Q in entry = 6 In of MODEL 17 1 H ASN 12 H ASN 12 -19.302 3.955 3.955 2 HA ASN 12 HA ASN 12 -18.456 3.163 1.393 3 HB2 ASN 12 HB2 ASN 12 -19.907 1.670 2.517 4 HB3 ASN 12 HB3 ASN 12 -21.099 2.919 2.873 5 HD21 ASN 12 HD21 ASN 12 -22.568 3.502 1.273 6 HD22 ASN 12 HD22 ASN 12 -22.789 2.567 -0.170 No H/Q in entry = 6 In of MODEL 17 1 H GLY 13 H GLY 13 -18.315 4.404 -0.349 2 HA2 GLY 13 HA2 GLY 13 -20.439 6.416 -0.836 3 HA3 GLY 13 HA3 GLY 13 -19.671 5.485 -2.107 No H/Q in entry = 3 In of MODEL 17 1 H LYS 14 H LYS 14 -17.574 6.609 0.408 2 HA LYS 14 HA LYS 14 -16.987 9.089 -1.062 3 HB2 LYS 14 HB2 LYS 14 -15.494 8.212 1.388 4 HB3 LYS 14 HB3 LYS 14 -15.784 9.837 0.803 5 HG2 LYS 14 HG2 LYS 14 -17.764 8.019 2.147 6 HG3 LYS 14 HG3 LYS 14 -16.984 9.446 2.825 7 HD2 LYS 14 HD2 LYS 14 -18.899 9.408 0.511 8 HD3 LYS 14 HD3 LYS 14 -19.276 9.902 2.175 9 HE2 LYS 14 HE2 LYS 14 -17.396 11.238 0.221 10 HE3 LYS 14 HE3 LYS 14 -18.922 11.868 0.829 11 HZ1 LYS 14 HZ1 LYS 14 -16.481 11.384 2.450 12 HZ2 LYS 14 HZ2 LYS 14 -17.038 12.892 1.923 13 HZ3 LYS 14 HZ3 LYS 14 -17.950 11.997 3.034 No H/Q in entry = 13 In of MODEL 17 1 H SER 15 H SER 15 -14.875 9.634 -1.736 2 HA SER 15 HA SER 15 -13.050 7.348 -1.848 3 HB2 SER 15 HB2 SER 15 -13.505 8.579 -4.034 4 HB3 SER 15 HB3 SER 15 -12.533 9.883 -3.360 5 HG SER 15 HG SER 15 -11.556 8.046 -4.690 No H/Q in entry = 5 In of MODEL 17 1 H ASN 16 H ASN 16 -10.881 7.645 -1.305 2 HA ASN 16 HA ASN 16 -9.970 9.868 0.210 3 HB2 ASN 16 HB2 ASN 16 -11.492 7.899 1.730 4 HB3 ASN 16 HB3 ASN 16 -9.793 7.866 2.205 5 HD21 ASN 16 HD21 ASN 16 -12.355 8.858 3.474 6 HD22 ASN 16 HD22 ASN 16 -11.941 10.444 4.015 No H/Q in entry = 6 In of MODEL 17 1 H PHE 17 H PHE 17 -7.964 8.580 1.683 2 HA PHE 17 HA PHE 17 -6.560 7.386 -0.613 3 HB2 PHE 17 HB2 PHE 17 -5.644 9.271 1.531 4 HB3 PHE 17 HB3 PHE 17 -4.486 8.325 0.594 5 HD1 PHE 17 HD1 PHE 17 -4.919 11.434 0.718 6 HD2 PHE 17 HD2 PHE 17 -6.163 8.375 -1.973 7 HE1 PHE 17 HE1 PHE 17 -5.034 13.080 -1.105 8 HE2 PHE 17 HE2 PHE 17 -6.277 10.016 -3.802 9 HZ PHE 17 HZ PHE 17 -5.710 12.376 -3.367 No H/Q in entry = 9 In of MODEL 17 1 H LEU 18 H LEU 18 -5.718 5.428 -0.465 2 HA LEU 18 HA LEU 18 -5.859 4.045 2.096 3 HB2 LEU 18 HB2 LEU 18 -6.639 2.741 0.262 4 HB3 LEU 18 HB3 LEU 18 -5.215 3.104 -0.693 5 HG LEU 18 HG LEU 18 -3.842 1.653 0.720 6 HD11 LEU 18 HD11 LEU 18 -6.374 1.199 2.306 7 HD12 LEU 18 HD12 LEU 18 -4.906 0.236 2.448 8 HD13 LEU 18 HD13 LEU 18 -4.883 1.944 2.882 9 HD21 LEU 18 HD21 LEU 18 -6.410 0.378 -0.211 10 HD22 LEU 18 HD22 LEU 18 -4.932 0.607 -1.147 11 HD23 LEU 18 HD23 LEU 18 -4.946 -0.502 0.221 No H/Q in entry = 11 In of MODEL 17 1 H ASN 19 H ASN 19 -4.239 3.876 3.436 2 HA ASN 19 HA ASN 19 -1.600 4.841 2.532 3 HB2 ASN 19 HB2 ASN 19 -1.997 6.346 4.215 4 HB3 ASN 19 HB3 ASN 19 -3.131 5.277 5.044 5 HD21 ASN 19 HD21 ASN 19 -2.362 3.859 6.577 6 HD22 ASN 19 HD22 ASN 19 -0.775 3.984 7.244 No H/Q in entry = 6 In of MODEL 17 1 H CYS 20 H CYS 20 -0.008 3.413 2.359 2 HA CYS 20 HA CYS 20 -0.202 0.906 3.893 3 HB2 CYS 20 HB2 CYS 20 0.529 1.414 0.981 4 HB3 CYS 20 HB3 CYS 20 0.661 -0.147 1.774 No H/Q in entry = 4 In of MODEL 17 1 H TYR 21 H TYR 21 1.495 0.886 5.300 2 HA TYR 21 HA TYR 21 3.852 2.519 4.740 3 HB2 TYR 21 HB2 TYR 21 3.006 1.030 7.236 4 HB3 TYR 21 HB3 TYR 21 4.535 1.862 7.083 5 HD1 TYR 21 HD1 TYR 21 4.501 4.384 6.745 6 HD2 TYR 21 HD2 TYR 21 1.071 2.165 7.931 7 HE1 TYR 21 HE1 TYR 21 3.488 6.444 7.638 8 HE2 TYR 21 HE2 TYR 21 0.047 4.217 8.816 9 HH TYR 21 HH TYR 21 1.128 7.283 8.101 No H/Q in entry = 9 In of MODEL 17 1 H VAL 22 H VAL 22 5.773 1.736 4.185 2 HA VAL 22 HA VAL 22 6.287 -1.140 4.552 3 HB VAL 22 HB VAL 22 6.997 0.500 2.077 4 HG11 VAL 22 HG11 VAL 22 8.665 -1.227 2.656 5 HG12 VAL 22 HG12 VAL 22 7.394 -2.452 2.610 6 HG13 VAL 22 HG13 VAL 22 7.831 -1.576 1.141 7 HG21 VAL 22 HG21 VAL 22 4.955 -1.702 2.447 8 HG22 VAL 22 HG22 VAL 22 4.631 -0.003 2.092 9 HG23 VAL 22 HG23 VAL 22 5.438 -1.016 0.894 No H/Q in entry = 9 In of MODEL 17 1 H SER 23 H SER 23 7.961 -1.110 6.051 2 HA SER 23 HA SER 23 9.998 0.995 5.706 3 HB2 SER 23 HB2 SER 23 8.408 1.451 7.594 4 HB3 SER 23 HB3 SER 23 8.999 -0.014 8.376 5 HG SER 23 HG SER 23 10.228 2.459 8.049 No H/Q in entry = 5 In of MODEL 17 1 H GLY 24 H GLY 24 12.088 0.472 6.013 2 HA2 GLY 24 HA2 GLY 24 12.773 -2.269 6.920 3 HA3 GLY 24 HA3 GLY 24 13.831 -0.871 7.049 No H/Q in entry = 3 In of MODEL 17 1 H PHE 25 H PHE 25 12.271 -0.739 4.160 2 HA PHE 25 HA PHE 25 14.266 -2.382 2.740 3 HB2 PHE 25 HB2 PHE 25 11.519 -1.465 1.861 4 HB3 PHE 25 HB3 PHE 25 12.595 -2.529 0.951 5 HD1 PHE 25 HD1 PHE 25 10.384 -2.307 3.897 6 HD2 PHE 25 HD2 PHE 25 12.906 -4.845 1.578 7 HE1 PHE 25 HE1 PHE 25 9.469 -4.282 5.069 8 HE2 PHE 25 HE2 PHE 25 11.991 -6.819 2.739 9 HZ PHE 25 HZ PHE 25 10.254 -6.527 4.458 No H/Q in entry = 9 In of MODEL 17 1 H HIS 26 H HIS 26 15.425 -1.514 1.014 2 HA HIS 26 HA HIS 26 15.689 1.342 1.004 3 HB2 HIS 26 HB2 HIS 26 16.947 -0.700 -0.842 4 HB3 HIS 26 HB3 HIS 26 17.424 0.990 -0.696 5 HD2 HIS 26 HD2 HIS 26 17.127 0.500 2.793 6 HE1 HIS 26 HE1 HIS 26 20.709 -1.575 1.917 7 HE2 HIS 26 HE2 HIS 26 19.168 -0.781 3.765 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 27 HA PRO 27 12.015 2.080 -1.294 2 HB2 PRO 27 HB2 PRO 27 13.699 4.403 -2.178 3 HB3 PRO 27 HB3 PRO 27 12.005 4.386 -1.659 4 HG2 PRO 27 HG2 PRO 27 13.940 5.145 0.015 5 HG3 PRO 27 HG3 PRO 27 12.544 4.188 0.591 6 HD2 PRO 27 HD2 PRO 27 15.385 3.387 0.196 7 HD3 PRO 27 HD3 PRO 27 14.150 2.696 1.272 No H/Q in entry = 7 In of MODEL 17 1 H SER 28 H SER 28 15.037 2.664 -3.108 2 HA SER 28 HA SER 28 13.682 2.689 -5.599 3 HB2 SER 28 HB2 SER 28 15.794 3.921 -5.123 4 HB3 SER 28 HB3 SER 28 16.651 2.379 -5.103 5 HG SER 28 HG SER 28 16.124 3.898 -7.180 No H/Q in entry = 5 In of MODEL 17 1 H ASP 29 H ASP 29 15.045 0.036 -3.728 2 HA ASP 29 HA ASP 29 14.928 -1.661 -6.132 3 HB2 ASP 29 HB2 ASP 29 16.364 -2.072 -3.507 4 HB3 ASP 29 HB3 ASP 29 16.206 -3.327 -4.731 No H/Q in entry = 4 In of MODEL 17 1 H ILE 30 H ILE 30 12.557 -0.907 -4.353 2 HA ILE 30 HA ILE 30 11.798 -3.714 -3.832 3 HB ILE 30 HB ILE 30 10.743 -3.235 -1.863 4 HG12 ILE 30 HG12 ILE 30 10.454 -0.313 -2.649 5 HG13 ILE 30 HG13 ILE 30 9.204 -1.557 -2.790 6 HG21 ILE 30 HG21 ILE 30 12.918 -1.164 -2.009 7 HG22 ILE 30 HG22 ILE 30 12.083 -1.610 -0.520 8 HG23 ILE 30 HG23 ILE 30 13.026 -2.813 -1.394 9 HD11 ILE 30 HD11 ILE 30 9.236 -1.849 -0.363 10 HD12 ILE 30 HD12 ILE 30 10.464 -0.590 -0.233 11 HD13 ILE 30 HD13 ILE 30 8.853 -0.193 -0.823 No H/Q in entry = 11 In of MODEL 17 1 H GLU 31 H GLU 31 9.411 -4.055 -3.811 2 HA GLU 31 HA GLU 31 8.076 -2.387 -5.835 3 HB2 GLU 31 HB2 GLU 31 8.170 -5.405 -5.690 4 HB3 GLU 31 HB3 GLU 31 7.066 -4.500 -6.713 5 HG2 GLU 31 HG2 GLU 31 8.854 -3.614 -8.021 6 HG3 GLU 31 HG3 GLU 31 10.065 -4.234 -6.901 No H/Q in entry = 6 In of MODEL 17 1 H VAL 32 H VAL 32 6.415 -1.478 -4.839 2 HA VAL 32 HA VAL 32 4.664 -3.170 -3.200 3 HB VAL 32 HB VAL 32 5.312 -1.990 -1.379 4 HG11 VAL 32 HG11 VAL 32 7.211 -1.028 -2.647 5 HG12 VAL 32 HG12 VAL 32 6.182 0.332 -3.089 6 HG13 VAL 32 HG13 VAL 32 6.582 0.040 -1.393 7 HG21 VAL 32 HG21 VAL 32 3.701 0.203 -2.686 8 HG22 VAL 32 HG22 VAL 32 3.063 -1.118 -1.707 9 HG23 VAL 32 HG23 VAL 32 4.104 0.100 -0.972 No H/Q in entry = 9 In of MODEL 17 1 H ASP 33 H ASP 33 2.529 -3.015 -3.637 2 HA ASP 33 HA ASP 33 1.618 -0.805 -5.361 3 HB2 ASP 33 HB2 ASP 33 0.896 -3.749 -5.775 4 HB3 ASP 33 HB3 ASP 33 0.200 -2.398 -6.661 No H/Q in entry = 4 In of MODEL 17 1 H LEU 34 H LEU 34 -0.756 -0.619 -5.325 2 HA LEU 34 HA LEU 34 -1.909 -1.568 -2.785 3 HB2 LEU 34 HB2 LEU 34 -2.305 0.947 -4.351 4 HB3 LEU 34 HB3 LEU 34 -3.666 0.322 -3.443 5 HG LEU 34 HG LEU 34 -2.230 0.381 -1.376 6 HD11 LEU 34 HD11 LEU 34 -0.045 0.408 -2.553 7 HD12 LEU 34 HD12 LEU 34 -0.364 2.080 -3.015 8 HD13 LEU 34 HD13 LEU 34 -0.217 1.642 -1.306 9 HD21 LEU 34 HD21 LEU 34 -3.870 2.125 -1.882 10 HD22 LEU 34 HD22 LEU 34 -2.475 2.746 -1.000 11 HD23 LEU 34 HD23 LEU 34 -2.623 3.036 -2.734 No H/Q in entry = 11 In of MODEL 17 1 H LEU 35 H LEU 35 -3.611 -2.957 -2.869 2 HA LEU 35 HA LEU 35 -4.583 -3.720 -5.547 3 HB2 LEU 35 HB2 LEU 35 -4.069 -5.557 -3.211 4 HB3 LEU 35 HB3 LEU 35 -4.627 -6.016 -4.797 5 HG LEU 35 HG LEU 35 -1.890 -5.209 -3.921 6 HD11 LEU 35 HD11 LEU 35 -3.120 -7.504 -5.427 7 HD12 LEU 35 HD12 LEU 35 -1.384 -7.262 -5.291 8 HD13 LEU 35 HD13 LEU 35 -2.349 -7.537 -3.839 9 HD21 LEU 35 HD21 LEU 35 -2.844 -5.239 -6.785 10 HD22 LEU 35 HD22 LEU 35 -2.315 -3.819 -5.888 11 HD23 LEU 35 HD23 LEU 35 -1.173 -5.110 -6.254 No H/Q in entry = 11 In of MODEL 17 1 H LYS 36 H LYS 36 -6.508 -5.071 -5.553 2 HA LYS 36 HA LYS 36 -8.334 -4.796 -3.263 3 HB2 LYS 36 HB2 LYS 36 -9.355 -5.289 -6.037 4 HB3 LYS 36 HB3 LYS 36 -10.161 -4.472 -4.683 5 HG2 LYS 36 HG2 LYS 36 -8.716 -2.541 -5.031 6 HG3 LYS 36 HG3 LYS 36 -7.883 -3.359 -6.344 7 HD2 LYS 36 HD2 LYS 36 -9.535 -1.707 -7.157 8 HD3 LYS 36 HD3 LYS 36 -9.875 -3.346 -7.726 9 HE2 LYS 36 HE2 LYS 36 -11.905 -2.026 -6.998 10 HE3 LYS 36 HE3 LYS 36 -11.705 -3.555 -6.136 11 HZ1 LYS 36 HZ1 LYS 36 -10.923 -0.861 -5.138 12 HZ2 LYS 36 HZ2 LYS 36 -12.290 -1.738 -4.658 13 HZ3 LYS 36 HZ3 LYS 36 -10.747 -2.318 -4.287 No H/Q in entry = 13 In of MODEL 17 1 H ASN 37 H ASN 37 -8.255 -6.848 -2.341 2 HA ASN 37 HA ASN 37 -8.116 -9.141 -2.194 3 HB2 ASN 37 HB2 ASN 37 -9.842 -9.131 -4.641 4 HB3 ASN 37 HB3 ASN 37 -9.961 -10.241 -3.302 5 HD21 ASN 37 HD21 ASN 37 -10.552 -7.065 -4.525 6 HD22 ASN 37 HD22 ASN 37 -11.790 -6.607 -3.418 No H/Q in entry = 6 In of MODEL 17 1 H GLY 38 H GLY 38 -5.887 -8.202 -3.498 2 HA2 GLY 38 HA2 GLY 38 -5.167 -10.418 -5.148 3 HA3 GLY 38 HA3 GLY 38 -4.135 -9.061 -4.755 No H/Q in entry = 3 In of MODEL 17 1 H GLU 39 H GLU 39 -6.160 -7.134 -5.916 2 HA GLU 39 HA GLU 39 -5.574 -7.661 -8.744 3 HB2 GLU 39 HB2 GLU 39 -7.949 -8.189 -8.254 4 HB3 GLU 39 HB3 GLU 39 -8.169 -6.575 -7.637 5 HG2 GLU 39 HG2 GLU 39 -7.175 -6.576 -10.346 6 HG3 GLU 39 HG3 GLU 39 -8.747 -7.355 -10.190 No H/Q in entry = 6 In of MODEL 17 1 H ARG 40 H ARG 40 -4.278 -6.115 -9.462 2 HA ARG 40 HA ARG 40 -3.476 -3.896 -7.989 3 HB2 ARG 40 HB2 ARG 40 -2.582 -5.101 -10.287 4 HB3 ARG 40 HB3 ARG 40 -3.225 -3.600 -10.932 5 HG2 ARG 40 HG2 ARG 40 -1.799 -2.349 -9.332 6 HG3 ARG 40 HG3 ARG 40 -1.097 -3.880 -8.815 7 HD2 ARG 40 HD2 ARG 40 0.471 -3.162 -10.337 8 HD3 ARG 40 HD3 ARG 40 -0.546 -4.146 -11.387 9 HE ARG 40 HE ARG 40 -1.593 -2.060 -12.144 10 HH11 ARG 40 HH11 ARG 40 1.523 -1.852 -10.521 11 HH12 ARG 40 HH12 ARG 40 1.946 -0.332 -11.252 12 HH21 ARG 40 HH21 ARG 40 -1.028 -0.065 -13.111 13 HH22 ARG 40 HH22 ARG 40 0.500 0.687 -12.719 No H/Q in entry = 13 In of MODEL 17 1 H ILE 41 H ILE 41 -4.455 -2.109 -7.472 2 HA ILE 41 HA ILE 41 -6.895 -1.227 -8.523 3 HB ILE 41 HB ILE 41 -4.849 0.305 -6.917 4 HG12 ILE 41 HG12 ILE 41 -7.307 -1.203 -6.033 5 HG13 ILE 41 HG13 ILE 41 -5.662 -1.800 -5.880 6 HG21 ILE 41 HG21 ILE 41 -7.764 0.892 -7.446 7 HG22 ILE 41 HG22 ILE 41 -6.789 1.703 -6.225 8 HG23 ILE 41 HG23 ILE 41 -6.383 1.874 -7.932 9 HD11 ILE 41 HD11 ILE 41 -6.497 0.766 -4.594 10 HD12 ILE 41 HD12 ILE 41 -6.789 -0.808 -3.837 11 HD13 ILE 41 HD13 ILE 41 -5.138 -0.303 -4.211 No H/Q in entry = 11 In of MODEL 17 1 H GLU 42 H GLU 42 -3.994 0.810 -8.562 2 HA GLU 42 HA GLU 42 -2.635 0.748 -10.672 3 HB2 GLU 42 HB2 GLU 42 -5.320 1.494 -11.856 4 HB3 GLU 42 HB3 GLU 42 -3.792 1.774 -12.670 5 HG2 GLU 42 HG2 GLU 42 -4.404 -0.993 -11.744 6 HG3 GLU 42 HG3 GLU 42 -5.216 -0.360 -13.167 No H/Q in entry = 6 In of MODEL 17 1 H LYS 43 H LYS 43 -5.038 2.974 -9.322 2 HA LYS 43 HA LYS 43 -3.716 5.298 -10.433 3 HB2 LYS 43 HB2 LYS 43 -5.780 5.332 -8.242 4 HB3 LYS 43 HB3 LYS 43 -5.431 6.581 -9.416 5 HG2 LYS 43 HG2 LYS 43 -6.868 3.973 -9.918 6 HG3 LYS 43 HG3 LYS 43 -7.559 5.598 -9.913 7 HD2 LYS 43 HD2 LYS 43 -5.447 4.633 -11.836 8 HD3 LYS 43 HD3 LYS 43 -7.175 4.695 -12.185 9 HE2 LYS 43 HE2 LYS 43 -5.455 7.064 -11.450 10 HE3 LYS 43 HE3 LYS 43 -5.971 6.648 -13.084 11 HZ1 LYS 43 HZ1 LYS 43 -7.845 7.232 -10.857 12 HZ2 LYS 43 HZ2 LYS 43 -7.351 8.378 -11.995 13 HZ3 LYS 43 HZ3 LYS 43 -8.240 7.022 -12.488 No H/Q in entry = 13 In of MODEL 17 1 H VAL 44 H VAL 44 -1.686 4.260 -9.161 2 HA VAL 44 HA VAL 44 -1.628 5.549 -6.525 3 HB VAL 44 HB VAL 44 -1.492 2.791 -6.907 4 HG11 VAL 44 HG11 VAL 44 0.783 2.935 -7.774 5 HG12 VAL 44 HG12 VAL 44 1.276 3.803 -6.320 6 HG13 VAL 44 HG13 VAL 44 0.745 2.125 -6.207 7 HG21 VAL 44 HG21 VAL 44 -2.151 3.922 -4.872 8 HG22 VAL 44 HG22 VAL 44 -0.909 2.712 -4.540 9 HG23 VAL 44 HG23 VAL 44 -0.483 4.423 -4.592 No H/Q in entry = 9 In of MODEL 17 1 H GLU 45 H GLU 45 0.061 6.895 -6.215 2 HA GLU 45 HA GLU 45 2.401 6.740 -7.952 3 HB2 GLU 45 HB2 GLU 45 0.581 9.164 -7.909 4 HB3 GLU 45 HB3 GLU 45 2.188 9.147 -8.606 5 HG2 GLU 45 HG2 GLU 45 1.397 7.474 -10.274 6 HG3 GLU 45 HG3 GLU 45 -0.225 7.621 -9.595 No H/Q in entry = 6 In of MODEL 17 1 H HIS 46 H HIS 46 3.975 6.767 -6.390 2 HA HIS 46 HA HIS 46 4.313 9.319 -5.039 3 HB2 HIS 46 HB2 HIS 46 3.122 7.348 -3.590 4 HB3 HIS 46 HB3 HIS 46 4.810 6.957 -3.312 5 HD2 HIS 46 HD2 HIS 46 5.980 9.965 -2.806 6 HE1 HIS 46 HE1 HIS 46 3.053 10.039 0.230 7 HE2 HIS 46 HE2 HIS 46 5.380 10.786 -0.429 No H/Q in entry = 7 In of MODEL 17 1 H SER 47 H SER 47 6.455 9.859 -5.124 2 HA SER 47 HA SER 47 8.393 7.667 -5.568 3 HB2 SER 47 HB2 SER 47 8.295 10.203 -7.218 4 HB3 SER 47 HB3 SER 47 9.438 8.868 -7.399 5 HG SER 47 HG SER 47 7.186 7.678 -7.558 No H/Q in entry = 5 In of MODEL 17 1 H ASP 48 H ASP 48 9.813 7.803 -3.932 2 HA ASP 48 HA ASP 48 11.204 10.326 -3.596 3 HB2 ASP 48 HB2 ASP 48 11.192 10.155 -1.130 4 HB3 ASP 48 HB3 ASP 48 9.585 10.418 -1.792 No H/Q in entry = 4 In of MODEL 17 1 H LEU 49 H LEU 49 13.309 10.090 -2.767 2 HA LEU 49 HA LEU 49 15.393 9.235 -3.044 3 HB2 LEU 49 HB2 LEU 49 14.040 6.693 -2.090 4 HB3 LEU 49 HB3 LEU 49 15.781 6.918 -2.233 5 HG LEU 49 HG LEU 49 15.151 9.019 -0.611 6 HD11 LEU 49 HD11 LEU 49 12.785 8.440 -0.441 7 HD12 LEU 49 HD12 LEU 49 13.219 6.840 0.159 8 HD13 LEU 49 HD13 LEU 49 13.596 8.269 1.115 9 HD21 LEU 49 HD21 LEU 49 15.765 6.196 0.286 10 HD22 LEU 49 HD22 LEU 49 16.931 7.470 -0.097 11 HD23 LEU 49 HD23 LEU 49 15.874 7.629 1.304 No H/Q in entry = 11 In of MODEL 17 1 H SER 50 H SER 50 16.405 8.929 -4.859 2 HA SER 50 HA SER 50 15.042 7.451 -6.994 3 HB2 SER 50 HB2 SER 50 17.458 9.261 -7.214 4 HB3 SER 50 HB3 SER 50 16.442 8.677 -8.530 5 HG SER 50 HG SER 50 15.999 10.724 -6.699 No H/Q in entry = 5 In of MODEL 17 1 H PHE 51 H PHE 51 18.216 7.801 -5.467 2 HA PHE 51 HA PHE 51 18.651 4.954 -5.702 3 HB2 PHE 51 HB2 PHE 51 19.558 5.855 -7.842 4 HB3 PHE 51 HB3 PHE 51 20.639 6.894 -6.920 5 HD1 PHE 51 HD1 PHE 51 22.803 6.178 -6.727 6 HD2 PHE 51 HD2 PHE 51 19.704 3.277 -7.032 7 HE1 PHE 51 HE1 PHE 51 24.483 4.381 -6.654 8 HE2 PHE 51 HE2 PHE 51 21.378 1.476 -6.962 9 HZ PHE 51 HZ PHE 51 23.770 2.024 -6.770 No H/Q in entry = 9 In of MODEL 17 1 H SER 52 H SER 52 18.297 5.456 -3.416 2 HA SER 52 HA SER 52 20.843 6.078 -2.118 3 HB2 SER 52 HB2 SER 52 18.161 7.176 -1.232 4 HB3 SER 52 HB3 SER 52 19.697 7.396 -0.391 5 HG SER 52 HG SER 52 20.297 8.234 -2.683 No H/Q in entry = 5 In of MODEL 17 1 H LYS 53 H LYS 53 21.339 4.138 -1.320 2 HA LYS 53 HA LYS 53 19.249 2.592 0.037 3 HB2 LYS 53 HB2 LYS 53 20.728 0.681 -0.138 4 HB3 LYS 53 HB3 LYS 53 20.570 1.432 -1.720 5 HG2 LYS 53 HG2 LYS 53 22.731 2.472 -1.490 6 HG3 LYS 53 HG3 LYS 53 22.885 1.856 0.158 7 HD2 LYS 53 HD2 LYS 53 22.653 -0.463 -0.843 8 HD3 LYS 53 HD3 LYS 53 22.874 0.304 -2.418 9 HE2 LYS 53 HE2 LYS 53 24.987 -0.565 -1.580 10 HE3 LYS 53 HE3 LYS 53 25.032 1.195 -1.675 11 HZ1 LYS 53 HZ1 LYS 53 24.461 -0.326 0.811 12 HZ2 LYS 53 HZ2 LYS 53 25.985 0.286 0.398 13 HZ3 LYS 53 HZ3 LYS 53 24.695 1.347 0.674 No H/Q in entry = 13 In of MODEL 17 1 H ASP 54 H ASP 54 19.528 1.889 2.145 2 HA ASP 54 HA ASP 54 21.397 1.971 3.998 3 HB2 ASP 54 HB2 ASP 54 22.074 4.271 3.349 4 HB3 ASP 54 HB3 ASP 54 20.465 4.850 3.767 No H/Q in entry = 4 In of MODEL 17 1 H TRP 55 H TRP 55 18.406 3.777 3.485 2 HA TRP 55 HA TRP 55 16.994 2.287 5.481 3 HB2 TRP 55 HB2 TRP 55 16.692 3.913 7.128 4 HB3 TRP 55 HB3 TRP 55 18.401 4.007 6.754 5 HD1 TRP 55 HD1 TRP 55 16.175 6.265 7.940 6 HE1 TRP 55 HE1 TRP 55 16.339 8.621 6.944 7 HE3 TRP 55 HE3 TRP 55 18.773 5.195 3.587 8 HZ2 TRP 55 HZ2 TRP 55 17.390 9.874 4.651 9 HZ3 TRP 55 HZ3 TRP 55 19.292 7.050 2.078 10 HH2 TRP 55 HH2 TRP 55 18.624 9.338 2.589 No H/Q in entry = 10 In of MODEL 17 1 H SER 56 H SER 56 14.746 2.991 5.671 2 HA SER 56 HA SER 56 13.847 4.339 3.206 3 HB2 SER 56 HB2 SER 56 11.697 2.970 3.712 4 HB3 SER 56 HB3 SER 56 13.088 2.135 3.017 5 HG SER 56 HG SER 56 13.664 1.543 5.187 No H/Q in entry = 5 In of MODEL 17 1 H PHE 57 H PHE 57 13.932 4.414 6.558 2 HA PHE 57 HA PHE 57 12.704 5.258 8.226 3 HB2 PHE 57 HB2 PHE 57 12.285 7.704 8.065 4 HB3 PHE 57 HB3 PHE 57 13.916 7.206 7.646 5 HD1 PHE 57 HD1 PHE 57 10.927 8.904 6.537 6 HD2 PHE 57 HD2 PHE 57 14.638 7.257 5.270 7 HE1 PHE 57 HE1 PHE 57 10.806 10.230 4.470 8 HE2 PHE 57 HE2 PHE 57 14.516 8.568 3.194 9 HZ PHE 57 HZ PHE 57 12.600 10.058 2.792 No H/Q in entry = 9 In of MODEL 17 1 H TYR 58 H TYR 58 10.746 7.009 5.830 2 HA TYR 58 HA TYR 58 8.537 5.219 6.494 3 HB2 TYR 58 HB2 TYR 58 8.696 8.170 6.890 4 HB3 TYR 58 HB3 TYR 58 7.153 7.517 6.346 5 HD1 TYR 58 HD1 TYR 58 9.461 7.801 9.162 6 HD2 TYR 58 HD2 TYR 58 5.948 5.851 7.748 7 HE1 TYR 58 HE1 TYR 58 8.925 7.094 11.473 8 HE2 TYR 58 HE2 TYR 58 5.401 5.147 10.051 9 HH TYR 58 HH TYR 58 6.895 6.449 12.766 No H/Q in entry = 9 In of MODEL 17 1 H LEU 59 H LEU 59 8.132 4.211 4.690 2 HA LEU 59 HA LEU 59 8.059 5.610 2.091 3 HB2 LEU 59 HB2 LEU 59 8.444 2.806 3.010 4 HB3 LEU 59 HB3 LEU 59 7.570 3.022 1.514 5 HG LEU 59 HG LEU 59 10.345 4.131 1.962 6 HD11 LEU 59 HD11 LEU 59 10.230 1.651 2.215 7 HD12 LEU 59 HD12 LEU 59 9.595 1.570 0.575 8 HD13 LEU 59 HD13 LEU 59 11.213 2.206 0.864 9 HD21 LEU 59 HD21 LEU 59 8.476 3.839 -0.364 10 HD22 LEU 59 HD22 LEU 59 9.401 5.257 0.143 11 HD23 LEU 59 HD23 LEU 59 10.218 3.896 -0.614 No H/Q in entry = 11 In of MODEL 17 1 H LEU 60 H LEU 60 6.085 6.216 1.368 2 HA LEU 60 HA LEU 60 3.778 4.530 1.971 3 HB2 LEU 60 HB2 LEU 60 3.709 6.228 3.659 4 HB3 LEU 60 HB3 LEU 60 4.041 7.485 2.489 5 HG LEU 60 HG LEU 60 1.821 7.136 1.484 6 HD11 LEU 60 HD11 LEU 60 1.457 5.172 3.743 7 HD12 LEU 60 HD12 LEU 60 0.185 5.742 2.662 8 HD13 LEU 60 HD13 LEU 60 1.522 4.789 2.022 9 HD21 LEU 60 HD21 LEU 60 2.124 8.819 3.223 10 HD22 LEU 60 HD22 LEU 60 0.522 8.087 3.319 11 HD23 LEU 60 HD23 LEU 60 1.778 7.613 4.463 No H/Q in entry = 11 In of MODEL 17 1 H TYR 61 H TYR 61 2.140 4.613 0.451 2 HA TYR 61 HA TYR 61 2.524 6.343 -1.896 3 HB2 TYR 61 HB2 TYR 61 1.776 3.398 -1.772 4 HB3 TYR 61 HB3 TYR 61 1.516 4.386 -3.221 5 HD1 TYR 61 HD1 TYR 61 3.280 4.838 -4.722 6 HD2 TYR 61 HD2 TYR 61 4.175 3.135 -0.930 7 HE1 TYR 61 HE1 TYR 61 5.588 4.446 -5.460 8 HE2 TYR 61 HE2 TYR 61 6.502 2.748 -1.662 9 HH TYR 61 HH TYR 61 7.852 4.188 -4.321 No H/Q in entry = 9 In of MODEL 17 1 H TYR 62 H TYR 62 0.391 6.689 -3.107 2 HA TYR 62 HA TYR 62 -1.888 6.261 -1.350 3 HB2 TYR 62 HB2 TYR 62 -2.705 8.617 -1.801 4 HB3 TYR 62 HB3 TYR 62 -1.401 8.421 -0.645 5 HD1 TYR 62 HD1 TYR 62 0.519 9.716 -0.842 6 HD2 TYR 62 HD2 TYR 62 -2.023 9.314 -4.228 7 HE1 TYR 62 HE1 TYR 62 1.822 11.433 -2.024 8 HE2 TYR 62 HE2 TYR 62 -0.722 11.024 -5.419 9 HH TYR 62 HH TYR 62 0.772 12.816 -5.008 No H/Q in entry = 9 In of MODEL 17 1 H THR 63 H THR 63 -3.784 5.880 -2.291 2 HA THR 63 HA THR 63 -4.093 6.313 -5.176 3 HB THR 63 HB THR 63 -3.403 3.863 -4.535 4 HG1 THR 63 HG1 THR 63 -4.411 4.774 -6.557 5 HG21 THR 63 HG21 THR 63 -5.088 3.584 -2.742 6 HG22 THR 63 HG22 THR 63 -6.356 3.778 -3.950 7 HG23 THR 63 HG23 THR 63 -5.269 2.395 -4.033 No H/Q in entry = 7 In of MODEL 17 1 H GLU 64 H GLU 64 -6.482 5.872 -5.754 2 HA GLU 64 HA GLU 64 -8.067 7.499 -3.915 3 HB2 GLU 64 HB2 GLU 64 -7.926 8.472 -6.108 4 HB3 GLU 64 HB3 GLU 64 -8.143 6.919 -6.887 5 HG2 GLU 64 HG2 GLU 64 -10.504 7.007 -5.769 6 HG3 GLU 64 HG3 GLU 64 -10.165 8.738 -5.675 No H/Q in entry = 6 In of MODEL 17 1 H PHE 65 H PHE 65 -9.725 6.444 -2.759 2 HA PHE 65 HA PHE 65 -10.597 3.874 -3.871 3 HB2 PHE 65 HB2 PHE 65 -10.342 2.766 -1.821 4 HB3 PHE 65 HB3 PHE 65 -8.925 3.758 -2.022 5 HD1 PHE 65 HD1 PHE 65 -12.287 4.429 -0.524 6 HD2 PHE 65 HD2 PHE 65 -8.063 4.430 -0.048 7 HE1 PHE 65 HE1 PHE 65 -12.545 5.339 1.747 8 HE2 PHE 65 HE2 PHE 65 -8.324 5.350 2.231 9 HZ PHE 65 HZ PHE 65 -10.573 5.802 3.132 No H/Q in entry = 9 In of MODEL 17 1 H THR 66 H THR 66 -12.676 3.195 -3.521 2 HA THR 66 HA THR 66 -14.327 4.851 -1.734 3 HB THR 66 HB THR 66 -15.180 3.819 -4.462 4 HG1 THR 66 HG1 THR 66 -13.995 6.144 -3.599 5 HG21 THR 66 HG21 THR 66 -16.632 5.456 -2.373 6 HG22 THR 66 HG22 THR 66 -17.172 5.280 -4.043 7 HG23 THR 66 HG23 THR 66 -17.082 3.864 -2.999 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 67 HA PRO 67 -14.830 0.577 -0.366 2 HB2 PRO 67 HB2 PRO 67 -16.174 1.314 1.992 3 HB3 PRO 67 HB3 PRO 67 -14.466 0.920 1.831 4 HG2 PRO 67 HG2 PRO 67 -15.625 3.480 2.372 5 HG3 PRO 67 HG3 PRO 67 -13.914 3.065 2.197 6 HD2 PRO 67 HD2 PRO 67 -15.666 4.440 0.341 7 HD3 PRO 67 HD3 PRO 67 -13.907 4.240 0.277 No H/Q in entry = 7 In of MODEL 17 1 H THR 68 H THR 68 -16.307 -0.755 -0.730 2 HA THR 68 HA THR 68 -19.131 0.043 -0.809 3 HB THR 68 HB THR 68 -19.448 -1.300 -2.821 4 HG1 THR 68 HG1 THR 68 -16.971 -1.853 -3.606 5 HG21 THR 68 HG21 THR 68 -18.729 1.022 -3.170 6 HG22 THR 68 HG22 THR 68 -17.046 0.496 -3.167 7 HG23 THR 68 HG23 THR 68 -18.135 -0.040 -4.448 No H/Q in entry = 7 In of MODEL 17 1 H GLU 69 H GLU 69 -20.571 -1.876 -0.487 2 HA GLU 69 HA GLU 69 -19.741 -3.641 1.498 3 HB2 GLU 69 HB2 GLU 69 -22.031 -3.280 1.275 4 HB3 GLU 69 HB3 GLU 69 -22.038 -3.604 -0.450 5 HG2 GLU 69 HG2 GLU 69 -23.123 -5.398 0.659 6 HG3 GLU 69 HG3 GLU 69 -21.572 -5.975 0.040 No H/Q in entry = 6 In of MODEL 17 1 H LYS 70 H LYS 70 -18.639 -3.671 -1.648 2 HA LYS 70 HA LYS 70 -18.400 -6.587 -1.729 3 HB2 LYS 70 HB2 LYS 70 -18.090 -4.588 -3.969 4 HB3 LYS 70 HB3 LYS 70 -17.992 -6.333 -4.138 5 HG2 LYS 70 HG2 LYS 70 -20.480 -5.091 -3.015 6 HG3 LYS 70 HG3 LYS 70 -20.186 -5.067 -4.752 7 HD2 LYS 70 HD2 LYS 70 -21.517 -6.979 -4.316 8 HD3 LYS 70 HD3 LYS 70 -19.889 -7.567 -4.638 9 HE2 LYS 70 HE2 LYS 70 -20.653 -7.048 -1.813 10 HE3 LYS 70 HE3 LYS 70 -21.350 -8.454 -2.609 11 HZ1 LYS 70 HZ1 LYS 70 -18.439 -7.892 -2.453 12 HZ2 LYS 70 HZ2 LYS 70 -19.274 -8.937 -1.413 13 HZ3 LYS 70 HZ3 LYS 70 -19.167 -9.287 -3.070 No H/Q in entry = 13 In of MODEL 17 1 H ASP 71 H ASP 71 -16.257 -3.695 -1.788 2 HA ASP 71 HA ASP 71 -14.181 -5.405 -2.922 3 HB2 ASP 71 HB2 ASP 71 -14.161 -2.389 -2.673 4 HB3 ASP 71 HB3 ASP 71 -13.066 -3.384 -3.611 No H/Q in entry = 4 In of MODEL 17 1 H GLU 72 H GLU 72 -12.395 -5.964 -1.871 2 HA GLU 72 HA GLU 72 -11.755 -5.022 0.857 3 HB2 GLU 72 HB2 GLU 72 -11.873 -7.416 0.533 4 HB3 GLU 72 HB3 GLU 72 -10.837 -7.336 -0.883 5 HG2 GLU 72 HG2 GLU 72 -9.006 -6.527 0.675 6 HG3 GLU 72 HG3 GLU 72 -10.080 -6.980 1.984 No H/Q in entry = 6 In of MODEL 17 1 H TYR 73 H TYR 73 -9.620 -4.145 1.274 2 HA TYR 73 HA TYR 73 -8.057 -3.450 -1.132 3 HB2 TYR 73 HB2 TYR 73 -8.555 -1.766 1.335 4 HB3 TYR 73 HB3 TYR 73 -7.336 -1.379 0.131 5 HD1 TYR 73 HD1 TYR 73 -10.981 -1.944 0.568 6 HD2 TYR 73 HD2 TYR 73 -7.922 -0.145 -1.785 7 HE1 TYR 73 HE1 TYR 73 -12.694 -0.773 -0.780 8 HE2 TYR 73 HE2 TYR 73 -9.625 1.016 -3.121 9 HH TYR 73 HH TYR 73 -12.919 1.152 -2.227 No H/Q in entry = 9 In of MODEL 17 1 H ALA 74 H ALA 74 -5.921 -3.921 -1.158 2 HA ALA 74 HA ALA 74 -4.616 -4.788 1.329 3 HB1 ALA 74 HB1 ALA 74 -5.425 -6.807 0.266 4 HB2 ALA 74 HB2 ALA 74 -4.702 -6.322 -1.268 5 HB3 ALA 74 HB3 ALA 74 -3.675 -6.724 0.113 No H/Q in entry = 5 In of MODEL 17 1 H CYS 75 H CYS 75 -2.219 -4.770 1.199 2 HA CYS 75 HA CYS 75 -1.243 -3.363 -1.188 3 HB2 CYS 75 HB2 CYS 75 -0.924 -2.555 1.636 4 HB3 CYS 75 HB3 CYS 75 0.376 -2.187 0.540 No H/Q in entry = 4 In of MODEL 17 1 H ARG 76 H ARG 76 0.327 -4.290 -2.207 2 HA ARG 76 HA ARG 76 1.500 -6.765 -1.144 3 HB2 ARG 76 HB2 ARG 76 0.184 -6.529 -3.342 4 HB3 ARG 76 HB3 ARG 76 1.607 -5.698 -3.960 5 HG2 ARG 76 HG2 ARG 76 2.898 -7.728 -3.791 6 HG3 ARG 76 HG3 ARG 76 1.605 -8.538 -2.904 7 HD2 ARG 76 HD2 ARG 76 1.660 -9.207 -5.327 8 HD3 ARG 76 HD3 ARG 76 0.143 -8.422 -4.856 9 HE ARG 76 HE ARG 76 1.705 -6.358 -5.731 10 HH11 ARG 76 HH11 ARG 76 0.752 -9.402 -7.178 11 HH12 ARG 76 HH12 ARG 76 0.747 -8.766 -8.796 12 HH21 ARG 76 HH21 ARG 76 1.743 -5.534 -7.845 13 HH22 ARG 76 HH22 ARG 76 1.335 -6.582 -9.174 No H/Q in entry = 13 In of MODEL 17 1 H VAL 77 H VAL 77 3.687 -6.896 -0.679 2 HA VAL 77 HA VAL 77 5.467 -5.013 -2.094 3 HB VAL 77 HB VAL 77 4.900 -4.314 0.339 4 HG11 VAL 77 HG11 VAL 77 5.323 -6.453 1.412 5 HG12 VAL 77 HG12 VAL 77 7.002 -6.409 0.868 6 HG13 VAL 77 HG13 VAL 77 6.418 -5.213 2.025 7 HG21 VAL 77 HG21 VAL 77 6.561 -3.254 -1.104 8 HG22 VAL 77 HG22 VAL 77 7.103 -3.323 0.574 9 HG23 VAL 77 HG23 VAL 77 7.754 -4.458 -0.609 No H/Q in entry = 9 In of MODEL 17 1 H ASN 78 H ASN 78 7.357 -5.702 -2.719 2 HA ASN 78 HA ASN 78 8.398 -8.276 -1.727 3 HB2 ASN 78 HB2 ASN 78 7.159 -8.567 -3.944 4 HB3 ASN 78 HB3 ASN 78 8.445 -7.598 -4.675 5 HD21 ASN 78 HD21 ASN 78 9.060 -9.381 -5.965 6 HD22 ASN 78 HD22 ASN 78 9.955 -10.705 -5.300 No H/Q in entry = 6 In of MODEL 17 1 H HIS 79 H HIS 79 10.526 -8.468 -1.611 2 HA HIS 79 HA HIS 79 12.214 -6.371 -2.775 3 HB2 HIS 79 HB2 HIS 79 11.987 -6.090 -0.277 4 HB3 HIS 79 HB3 HIS 79 12.688 -7.687 -0.081 5 HD2 HIS 79 HD2 HIS 79 13.748 -4.058 -0.811 6 HE1 HIS 79 HE1 HIS 79 17.217 -6.464 -0.643 7 HE2 HIS 79 HE2 HIS 79 16.337 -4.114 -0.967 No H/Q in entry = 7 In of MODEL 17 1 H VAL 80 H VAL 80 14.458 -7.186 -3.168 2 HA VAL 80 HA VAL 80 14.545 -9.536 -4.608 3 HB VAL 80 HB VAL 80 16.907 -8.383 -3.114 4 HG11 VAL 80 HG11 VAL 80 17.321 -10.600 -4.060 5 HG12 VAL 80 HG12 VAL 80 16.786 -10.027 -5.641 6 HG13 VAL 80 HG13 VAL 80 18.243 -9.358 -4.908 7 HG21 VAL 80 HG21 VAL 80 15.775 -7.648 -5.809 8 HG22 VAL 80 HG22 VAL 80 15.851 -6.623 -4.378 9 HG23 VAL 80 HG23 VAL 80 17.336 -7.109 -5.193 No H/Q in entry = 9 In of MODEL 17 1 H THR 81 H THR 81 14.944 -9.110 -1.148 2 HA THR 81 HA THR 81 16.133 -11.667 -0.658 3 HB THR 81 HB THR 81 16.456 -10.048 1.057 4 HG1 THR 81 HG1 THR 81 14.578 -11.981 2.014 5 HG21 THR 81 HG21 THR 81 14.469 -8.653 0.662 6 HG22 THR 81 HG22 THR 81 13.448 -9.903 1.376 7 HG23 THR 81 HG23 THR 81 14.641 -9.063 2.369 No H/Q in entry = 7 In of MODEL 17 1 H LEU 82 H LEU 82 12.748 -10.561 -0.045 2 HA LEU 82 HA LEU 82 11.703 -12.989 0.736 3 HB2 LEU 82 HB2 LEU 82 10.286 -10.955 -0.986 4 HB3 LEU 82 HB3 LEU 82 9.525 -12.208 -0.019 5 HG LEU 82 HG LEU 82 11.158 -9.962 1.155 6 HD11 LEU 82 HD11 LEU 82 8.190 -10.235 0.783 7 HD12 LEU 82 HD12 LEU 82 8.976 -9.015 1.783 8 HD13 LEU 82 HD13 LEU 82 9.254 -9.037 0.043 9 HD21 LEU 82 HD21 LEU 82 9.252 -11.951 2.395 10 HD22 LEU 82 HD22 LEU 82 11.010 -11.957 2.563 11 HD23 LEU 82 HD23 LEU 82 10.064 -10.631 3.240 No H/Q in entry = 11 In of MODEL 17 1 H SER 83 H SER 83 11.620 -11.661 -2.552 2 HA SER 83 HA SER 83 11.661 -12.628 -4.601 3 HB2 SER 83 HB2 SER 83 11.886 -15.300 -3.198 4 HB3 SER 83 HB3 SER 83 12.147 -14.994 -4.916 5 HG SER 83 HG SER 83 13.629 -13.644 -2.915 No H/Q in entry = 5 In of MODEL 17 1 H GLN 84 H GLN 84 9.489 -13.643 -2.108 2 HA GLN 84 HA GLN 84 7.399 -13.686 -4.153 3 HB2 GLN 84 HB2 GLN 84 6.083 -15.298 -2.869 4 HB3 GLN 84 HB3 GLN 84 7.633 -15.979 -3.329 5 HG2 GLN 84 HG2 GLN 84 7.176 -14.783 -0.617 6 HG3 GLN 84 HG3 GLN 84 6.745 -16.450 -0.981 7 HE21 GLN 84 HE21 GLN 84 9.014 -16.782 -2.807 8 HE22 GLN 84 HE22 GLN 84 10.416 -16.926 -1.798 No H/Q in entry = 8 In of MODEL 17 1 HA PRO 85 HA PRO 85 6.384 -10.152 -1.550 2 HB2 PRO 85 HB2 PRO 85 4.208 -9.310 -2.954 3 HB3 PRO 85 HB3 PRO 85 5.889 -8.901 -3.351 4 HG2 PRO 85 HG2 PRO 85 4.083 -10.940 -4.591 5 HG3 PRO 85 HG3 PRO 85 5.315 -9.908 -5.356 6 HD2 PRO 85 HD2 PRO 85 5.719 -12.589 -4.782 7 HD3 PRO 85 HD3 PRO 85 7.042 -11.373 -4.855 No H/Q in entry = 7 In of MODEL 17 1 H LYS 86 H LYS 86 4.713 -9.459 -0.191 2 HA LYS 86 HA LYS 86 2.747 -11.566 0.412 3 HB2 LYS 86 HB2 LYS 86 3.690 -9.473 2.355 4 HB3 LYS 86 HB3 LYS 86 2.894 -11.000 2.704 5 HG2 LYS 86 HG2 LYS 86 5.725 -10.630 1.736 6 HG3 LYS 86 HG3 LYS 86 5.223 -11.076 3.360 7 HD2 LYS 86 HD2 LYS 86 4.363 -12.776 1.065 8 HD3 LYS 86 HD3 LYS 86 6.027 -12.897 1.640 9 HE2 LYS 86 HE2 LYS 86 4.726 -14.566 2.771 10 HE3 LYS 86 HE3 LYS 86 5.129 -13.302 3.934 11 HZ1 LYS 86 HZ1 LYS 86 2.526 -13.565 2.508 12 HZ2 LYS 86 HZ2 LYS 86 2.812 -14.000 4.122 13 HZ3 LYS 86 HZ3 LYS 86 2.912 -12.378 3.653 No H/Q in entry = 13 In of MODEL 17 1 H ILE 87 H ILE 87 0.695 -10.905 1.149 2 HA ILE 87 HA ILE 87 -0.072 -8.173 0.351 3 HB ILE 87 HB ILE 87 -1.399 -10.714 -0.221 4 HG12 ILE 87 HG12 ILE 87 -0.893 -9.397 -2.084 5 HG13 ILE 87 HG13 ILE 87 -2.616 -9.083 -1.852 6 HG21 ILE 87 HG21 ILE 87 -3.050 -8.488 0.945 7 HG22 ILE 87 HG22 ILE 87 -3.708 -9.787 -0.051 8 HG23 ILE 87 HG23 ILE 87 -2.951 -10.160 1.501 9 HD11 ILE 87 HD11 ILE 87 -0.385 -7.308 -0.922 10 HD12 ILE 87 HD12 ILE 87 -1.403 -7.050 -2.333 11 HD13 ILE 87 HD13 ILE 87 -2.111 -7.009 -0.725 No H/Q in entry = 11 In of MODEL 17 1 H VAL 88 H VAL 88 -0.960 -6.840 1.748 2 HA VAL 88 HA VAL 88 -1.858 -7.885 4.356 3 HB VAL 88 HB VAL 88 0.101 -6.486 4.667 4 HG11 VAL 88 HG11 VAL 88 -1.406 -4.374 3.169 5 HG12 VAL 88 HG12 VAL 88 0.067 -4.085 4.095 6 HG13 VAL 88 HG13 VAL 88 0.102 -5.150 2.683 7 HG21 VAL 88 HG21 VAL 88 -2.466 -5.174 5.486 8 HG22 VAL 88 HG22 VAL 88 -1.502 -6.323 6.416 9 HG23 VAL 88 HG23 VAL 88 -0.884 -4.696 6.106 No H/Q in entry = 9 In of MODEL 17 1 H LYS 89 H LYS 89 -3.981 -7.581 4.704 2 HA LYS 89 HA LYS 89 -5.327 -5.739 2.860 3 HB2 LYS 89 HB2 LYS 89 -6.573 -8.021 4.363 4 HB3 LYS 89 HB3 LYS 89 -7.279 -7.089 3.050 5 HG2 LYS 89 HG2 LYS 89 -6.009 -8.153 1.446 6 HG3 LYS 89 HG3 LYS 89 -4.749 -8.571 2.608 7 HD2 LYS 89 HD2 LYS 89 -7.497 -9.756 2.717 8 HD3 LYS 89 HD3 LYS 89 -6.171 -10.491 1.810 9 HE2 LYS 89 HE2 LYS 89 -5.953 -9.763 4.713 10 HE3 LYS 89 HE3 LYS 89 -6.537 -11.338 4.178 11 HZ1 LYS 89 HZ1 LYS 89 -4.397 -11.548 2.935 12 HZ2 LYS 89 HZ2 LYS 89 -3.861 -10.148 3.729 13 HZ3 LYS 89 HZ3 LYS 89 -4.236 -11.534 4.624 No H/Q in entry = 13 In of MODEL 17 1 H TRP 90 H TRP 90 -6.867 -4.335 3.630 2 HA TRP 90 HA TRP 90 -6.293 -3.390 6.285 3 HB2 TRP 90 HB2 TRP 90 -6.546 -1.765 4.470 4 HB3 TRP 90 HB3 TRP 90 -8.178 -2.348 4.165 5 HD1 TRP 90 HD1 TRP 90 -6.588 -1.140 7.532 6 HE1 TRP 90 HE1 TRP 90 -8.070 0.681 8.484 7 HE3 TRP 90 HE3 TRP 90 -10.032 -0.829 3.719 8 HZ2 TRP 90 HZ2 TRP 90 -10.456 2.047 7.789 9 HZ3 TRP 90 HZ3 TRP 90 -11.873 0.767 3.944 10 HH2 TRP 90 HH2 TRP 90 -12.094 2.193 5.920 No H/Q in entry = 10 In of MODEL 17 1 H ASP 91 H ASP 91 -7.433 -3.671 8.085 2 HA ASP 91 HA ASP 91 -9.385 -5.726 8.211 3 HB2 ASP 91 HB2 ASP 91 -8.470 -3.711 10.276 4 HB3 ASP 91 HB3 ASP 91 -9.540 -5.067 10.618 No H/Q in entry = 4 In of MODEL 17 1 H ARG 92 H ARG 92 -11.274 -5.277 7.140 2 HA ARG 92 HA ARG 92 -13.199 -3.726 8.465 3 HB2 ARG 92 HB2 ARG 92 -13.332 -1.710 7.321 4 HB3 ARG 92 HB3 ARG 92 -11.608 -2.014 7.165 5 HG2 ARG 92 HG2 ARG 92 -12.166 -1.417 5.013 6 HG3 ARG 92 HG3 ARG 92 -12.228 -3.180 4.916 7 HD2 ARG 92 HD2 ARG 92 -14.718 -2.990 5.341 8 HD3 ARG 92 HD3 ARG 92 -14.547 -1.240 5.105 9 HE ARG 92 HE ARG 92 -13.412 -2.482 2.909 10 HH11 ARG 92 HH11 ARG 92 -16.550 -2.158 4.423 11 HH12 ARG 92 HH12 ARG 92 -17.431 -2.559 2.978 12 HH21 ARG 92 HH21 ARG 92 -14.561 -3.026 1.007 13 HH22 ARG 92 HH22 ARG 92 -16.301 -3.018 1.037 No H/Q in entry = 13 In of MODEL 17 1 H ASP 93 H ASP 93 -12.180 -5.851 6.151 2 HA ASP 93 HA ASP 93 -14.764 -6.651 5.257 3 HB2 ASP 93 HB2 ASP 93 -14.357 -4.636 3.840 4 HB3 ASP 93 HB3 ASP 93 -12.926 -5.437 3.186 No H/Q in entry = 4 In of MODEL 17 1 HA MET 94 HA MET 94 -10.832 -9.130 3.912 2 HB2 MET 94 HB2 MET 94 -9.388 -9.964 6.071 3 HB3 MET 94 HB3 MET 94 -8.899 -8.685 4.968 4 HG2 MET 94 HG2 MET 94 -8.653 -8.141 7.409 5 HG3 MET 94 HG3 MET 94 -9.589 -6.963 6.486 6 HE1 MET 94 HE1 MET 94 -10.570 -10.507 7.961 7 HE2 MET 94 HE2 MET 94 -9.585 -9.761 9.220 8 HE3 MET 94 HE3 MET 94 -11.306 -10.031 9.491 No H/Q in entry = 8 In of MODEL 18 1 HA MET 1 HA MET 1 5.348 -7.802 6.139 2 HB2 MET 1 HB2 MET 1 3.043 -8.218 6.809 3 HB3 MET 1 HB3 MET 1 4.113 -9.336 7.638 4 HG2 MET 1 HG2 MET 1 3.978 -7.998 9.660 5 HG3 MET 1 HG3 MET 1 2.950 -6.832 8.830 6 HE1 MET 1 HE1 MET 1 1.082 -8.684 7.081 7 HE2 MET 1 HE2 MET 1 -0.290 -8.929 8.162 8 HE3 MET 1 HE3 MET 1 0.462 -7.338 8.038 No H/Q in entry = 8 In of MODEL 18 1 H ILE 2 H ILE 2 3.219 -6.424 5.713 2 HA ILE 2 HA ILE 2 4.014 -3.667 6.247 3 HB ILE 2 HB ILE 2 1.766 -4.586 4.444 4 HG12 ILE 2 HG12 ILE 2 4.341 -3.981 3.139 5 HG13 ILE 2 HG13 ILE 2 4.319 -5.475 4.079 6 HG21 ILE 2 HG21 ILE 2 1.913 -2.186 4.987 7 HG22 ILE 2 HG22 ILE 2 3.529 -2.144 4.276 8 HG23 ILE 2 HG23 ILE 2 2.132 -2.520 3.272 9 HD11 ILE 2 HD11 ILE 2 2.346 -6.219 2.802 10 HD12 ILE 2 HD12 ILE 2 2.441 -4.750 1.832 11 HD13 ILE 2 HD13 ILE 2 3.750 -5.934 1.774 No H/Q in entry = 11 In of MODEL 18 1 H GLN 3 H GLN 3 2.559 -2.151 7.210 2 HA GLN 3 HA GLN 3 0.105 -3.345 8.319 3 HB2 GLN 3 HB2 GLN 3 1.892 -1.205 9.525 4 HB3 GLN 3 HB3 GLN 3 0.335 -1.697 10.183 5 HG2 GLN 3 HG2 GLN 3 2.036 -2.775 11.454 6 HG3 GLN 3 HG3 GLN 3 1.236 -4.022 10.485 7 HE21 GLN 3 HE21 GLN 3 3.636 -1.720 9.302 8 HE22 GLN 3 HE22 GLN 3 4.871 -2.892 9.003 No H/Q in entry = 8 In of MODEL 18 1 H VAL 4 H VAL 4 -1.529 -2.627 7.092 2 HA VAL 4 HA VAL 4 -1.379 0.028 5.893 3 HB VAL 4 HB VAL 4 -3.607 -0.676 4.800 4 HG11 VAL 4 HG11 VAL 4 -1.090 -2.234 4.223 5 HG12 VAL 4 HG12 VAL 4 -2.461 -2.065 3.127 6 HG13 VAL 4 HG13 VAL 4 -1.515 -0.647 3.582 7 HG21 VAL 4 HG21 VAL 4 -4.171 -2.467 6.351 8 HG22 VAL 4 HG22 VAL 4 -4.034 -3.080 4.702 9 HG23 VAL 4 HG23 VAL 4 -2.733 -3.362 5.861 No H/Q in entry = 9 In of MODEL 18 1 H TYR 5 H TYR 5 -3.051 1.524 5.998 2 HA TYR 5 HA TYR 5 -5.021 1.400 8.127 3 HB2 TYR 5 HB2 TYR 5 -2.740 3.389 8.171 4 HB3 TYR 5 HB3 TYR 5 -4.236 3.624 9.061 5 HD1 TYR 5 HD1 TYR 5 -1.015 3.012 9.628 6 HD2 TYR 5 HD2 TYR 5 -4.739 1.070 10.356 7 HE1 TYR 5 HE1 TYR 5 -0.019 1.836 11.541 8 HE2 TYR 5 HE2 TYR 5 -3.742 -0.122 12.279 9 HH TYR 5 HH TYR 5 -0.757 0.776 13.626 No H/Q in entry = 9 In of MODEL 18 1 H SER 6 H SER 6 -6.127 3.702 8.201 2 HA SER 6 HA SER 6 -5.818 5.102 5.645 3 HB2 SER 6 HB2 SER 6 -8.462 4.524 7.013 4 HB3 SER 6 HB3 SER 6 -8.232 5.475 5.540 5 HG SER 6 HG SER 6 -7.068 3.010 5.388 No H/Q in entry = 5 In of MODEL 18 1 H ARG 7 H ARG 7 -6.547 7.307 5.688 2 HA ARG 7 HA ARG 7 -5.729 8.593 8.155 3 HB2 ARG 7 HB2 ARG 7 -5.459 9.192 5.432 4 HB3 ARG 7 HB3 ARG 7 -6.576 10.408 6.046 5 HG2 ARG 7 HG2 ARG 7 -3.866 9.785 7.214 6 HG3 ARG 7 HG3 ARG 7 -4.224 11.124 6.123 7 HD2 ARG 7 HD2 ARG 7 -5.670 10.743 8.725 8 HD3 ARG 7 HD3 ARG 7 -4.152 11.636 8.615 9 HE ARG 7 HE ARG 7 -5.681 12.809 6.722 10 HH11 ARG 7 HH11 ARG 7 -6.232 12.059 10.095 11 HH12 ARG 7 HH12 ARG 7 -7.242 13.446 10.377 12 HH21 ARG 7 HH21 ARG 7 -7.015 14.628 7.068 13 HH22 ARG 7 HH22 ARG 7 -7.682 14.918 8.649 No H/Q in entry = 13 In of MODEL 18 1 H HIS 8 H HIS 8 -8.670 7.830 6.594 2 HA HIS 8 HA HIS 8 -10.141 9.666 8.353 3 HB2 HIS 8 HB2 HIS 8 -10.823 9.119 5.455 4 HB3 HIS 8 HB3 HIS 8 -11.712 10.166 6.553 5 HD2 HIS 8 HD2 HIS 8 -10.082 12.475 7.410 6 HE1 HIS 8 HE1 HIS 8 -7.978 12.394 3.737 7 HE2 HIS 8 HE2 HIS 8 -8.627 13.819 5.729 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 9 HA PRO 9 -12.737 6.197 9.261 2 HB2 PRO 9 HB2 PRO 9 -15.229 7.650 8.986 3 HB3 PRO 9 HB3 PRO 9 -14.424 7.094 10.464 4 HG2 PRO 9 HG2 PRO 9 -14.660 9.740 9.674 5 HG3 PRO 9 HG3 PRO 9 -13.435 9.123 10.796 6 HD2 PRO 9 HD2 PRO 9 -13.164 9.916 7.936 7 HD3 PRO 9 HD3 PRO 9 -11.970 9.948 9.251 No H/Q in entry = 7 In of MODEL 18 1 H ALA 10 H ALA 10 -13.447 4.539 8.095 2 HA ALA 10 HA ALA 10 -13.867 4.578 5.350 3 HB1 ALA 10 HB1 ALA 10 -14.577 2.283 5.604 4 HB2 ALA 10 HB2 ALA 10 -13.223 2.604 6.688 5 HB3 ALA 10 HB3 ALA 10 -14.865 2.531 7.325 No H/Q in entry = 5 In of MODEL 18 1 H GLU 11 H GLU 11 -15.538 5.846 4.471 2 HA GLU 11 HA GLU 11 -18.254 5.025 5.334 3 HB2 GLU 11 HB2 GLU 11 -17.355 7.544 5.609 4 HB3 GLU 11 HB3 GLU 11 -17.836 7.632 3.925 5 HG2 GLU 11 HG2 GLU 11 -19.640 6.934 6.233 6 HG3 GLU 11 HG3 GLU 11 -19.554 8.478 5.397 No H/Q in entry = 6 In of MODEL 18 1 H ASN 12 H ASN 12 -18.895 3.531 3.823 2 HA ASN 12 HA ASN 12 -18.109 3.142 1.265 3 HB2 ASN 12 HB2 ASN 12 -19.557 1.543 2.234 4 HB3 ASN 12 HB3 ASN 12 -20.805 2.724 2.604 5 HD21 ASN 12 HD21 ASN 12 -21.246 0.261 1.434 6 HD22 ASN 12 HD22 ASN 12 -21.855 0.488 -0.171 No H/Q in entry = 6 In of MODEL 18 1 H GLY 13 H GLY 13 -17.926 4.450 -0.404 2 HA2 GLY 13 HA2 GLY 13 -20.093 6.410 -0.937 3 HA3 GLY 13 HA3 GLY 13 -19.156 5.600 -2.183 No H/Q in entry = 3 In of MODEL 18 1 H LYS 14 H LYS 14 -17.321 6.658 0.536 2 HA LYS 14 HA LYS 14 -16.785 9.292 -0.663 3 HB2 LYS 14 HB2 LYS 14 -15.417 8.184 1.782 4 HB3 LYS 14 HB3 LYS 14 -15.586 9.856 1.301 5 HG2 LYS 14 HG2 LYS 14 -17.858 8.126 2.261 6 HG3 LYS 14 HG3 LYS 14 -16.891 9.177 3.277 7 HD2 LYS 14 HD2 LYS 14 -18.864 10.335 2.825 8 HD3 LYS 14 HD3 LYS 14 -17.616 11.108 1.854 9 HE2 LYS 14 HE2 LYS 14 -19.647 10.874 0.574 10 HE3 LYS 14 HE3 LYS 14 -18.391 9.832 -0.094 11 HZ1 LYS 14 HZ1 LYS 14 -20.499 8.889 1.781 12 HZ2 LYS 14 HZ2 LYS 14 -20.615 8.766 0.093 13 HZ3 LYS 14 HZ3 LYS 14 -19.394 7.939 0.926 No H/Q in entry = 13 In of MODEL 18 1 H SER 15 H SER 15 -14.643 9.938 -1.264 2 HA SER 15 HA SER 15 -12.742 7.719 -1.444 3 HB2 SER 15 HB2 SER 15 -13.173 9.073 -3.562 4 HB3 SER 15 HB3 SER 15 -12.282 10.363 -2.769 5 HG SER 15 HG SER 15 -11.288 8.398 -4.126 No H/Q in entry = 5 In of MODEL 18 1 H ASN 16 H ASN 16 -10.698 7.951 -0.700 2 HA ASN 16 HA ASN 16 -9.952 10.136 1.018 3 HB2 ASN 16 HB2 ASN 16 -10.129 7.375 2.258 4 HB3 ASN 16 HB3 ASN 16 -9.713 8.881 3.053 5 HD21 ASN 16 HD21 ASN 16 -11.302 10.152 3.860 6 HD22 ASN 16 HD22 ASN 16 -12.983 9.724 3.840 No H/Q in entry = 6 In of MODEL 18 1 H PHE 17 H PHE 17 -7.883 8.344 2.304 2 HA PHE 17 HA PHE 17 -6.424 7.626 -0.137 3 HB2 PHE 17 HB2 PHE 17 -5.565 9.420 2.098 4 HB3 PHE 17 HB3 PHE 17 -4.360 8.521 1.174 5 HD1 PHE 17 HD1 PHE 17 -5.791 8.595 -1.459 6 HD2 PHE 17 HD2 PHE 17 -5.007 11.623 1.415 7 HE1 PHE 17 HE1 PHE 17 -5.858 10.289 -3.247 8 HE2 PHE 17 HE2 PHE 17 -5.077 13.332 -0.358 9 HZ PHE 17 HZ PHE 17 -5.503 12.665 -2.692 No H/Q in entry = 9 In of MODEL 18 1 H LEU 18 H LEU 18 -5.302 5.754 -0.086 2 HA LEU 18 HA LEU 18 -5.503 4.182 2.381 3 HB2 LEU 18 HB2 LEU 18 -6.337 3.017 0.470 4 HB3 LEU 18 HB3 LEU 18 -4.918 3.426 -0.474 5 HG LEU 18 HG LEU 18 -3.548 1.865 0.810 6 HD11 LEU 18 HD11 LEU 18 -6.047 1.319 2.412 7 HD12 LEU 18 HD12 LEU 18 -4.566 0.368 2.476 8 HD13 LEU 18 HD13 LEU 18 -4.552 2.047 3.004 9 HD21 LEU 18 HD21 LEU 18 -6.154 0.692 -0.156 10 HD22 LEU 18 HD22 LEU 18 -4.673 0.928 -1.086 11 HD23 LEU 18 HD23 LEU 18 -4.712 -0.250 0.223 No H/Q in entry = 11 In of MODEL 18 1 H ASN 19 H ASN 19 -3.828 3.830 3.644 2 HA ASN 19 HA ASN 19 -1.174 4.646 2.665 3 HB2 ASN 19 HB2 ASN 19 -1.057 5.882 4.545 4 HB3 ASN 19 HB3 ASN 19 -2.542 5.178 5.172 5 HD21 ASN 19 HD21 ASN 19 0.931 4.994 5.141 6 HD22 ASN 19 HD22 ASN 19 1.085 3.945 6.502 No H/Q in entry = 6 In of MODEL 18 1 H CYS 20 H CYS 20 0.237 3.082 2.218 2 HA CYS 20 HA CYS 20 0.129 0.628 3.829 3 HB2 CYS 20 HB2 CYS 20 -0.180 0.046 1.535 4 HB3 CYS 20 HB3 CYS 20 1.023 1.215 0.982 No H/Q in entry = 4 In of MODEL 18 1 H TYR 21 H TYR 21 1.648 0.731 5.407 2 HA TYR 21 HA TYR 21 3.998 2.446 4.965 3 HB2 TYR 21 HB2 TYR 21 3.092 3.200 6.957 4 HB3 TYR 21 HB3 TYR 21 2.505 1.616 7.423 5 HD1 TYR 21 HD1 TYR 21 5.637 3.626 7.131 6 HD2 TYR 21 HD2 TYR 21 3.630 0.387 9.032 7 HE1 TYR 21 HE1 TYR 21 7.494 3.421 8.726 8 HE2 TYR 21 HE2 TYR 21 5.492 0.162 10.619 9 HH TYR 21 HH TYR 21 8.013 2.525 10.871 No H/Q in entry = 9 In of MODEL 18 1 H VAL 22 H VAL 22 5.689 1.468 4.135 2 HA VAL 22 HA VAL 22 6.356 -1.294 4.925 3 HB VAL 22 HB VAL 22 7.246 0.302 2.483 4 HG11 VAL 22 HG11 VAL 22 8.702 -1.596 3.241 5 HG12 VAL 22 HG12 VAL 22 7.347 -2.688 2.952 6 HG13 VAL 22 HG13 VAL 22 8.050 -1.779 1.610 7 HG21 VAL 22 HG21 VAL 22 5.052 -1.771 2.698 8 HG22 VAL 22 HG22 VAL 22 4.840 -0.049 2.390 9 HG23 VAL 22 HG23 VAL 22 5.653 -1.062 1.197 No H/Q in entry = 9 In of MODEL 18 1 H SER 23 H SER 23 8.061 -1.318 6.403 2 HA SER 23 HA SER 23 10.162 0.710 6.024 3 HB2 SER 23 HB2 SER 23 8.640 1.319 7.903 4 HB3 SER 23 HB3 SER 23 9.114 -0.171 8.718 5 HG SER 23 HG SER 23 10.570 2.177 8.289 No H/Q in entry = 5 In of MODEL 18 1 H GLY 24 H GLY 24 12.241 0.168 6.549 2 HA2 GLY 24 HA2 GLY 24 12.816 -2.589 7.443 3 HA3 GLY 24 HA3 GLY 24 13.946 -1.240 7.479 No H/Q in entry = 3 In of MODEL 18 1 H PHE 25 H PHE 25 12.220 -1.270 4.645 2 HA PHE 25 HA PHE 25 14.138 -2.984 3.219 3 HB2 PHE 25 HB2 PHE 25 11.448 -1.913 2.341 4 HB3 PHE 25 HB3 PHE 25 12.448 -3.073 1.462 5 HD1 PHE 25 HD1 PHE 25 10.308 -2.625 4.437 6 HD2 PHE 25 HD2 PHE 25 12.552 -5.394 2.099 7 HE1 PHE 25 HE1 PHE 25 9.252 -4.504 5.656 8 HE2 PHE 25 HE2 PHE 25 11.497 -7.275 3.303 9 HZ PHE 25 HZ PHE 25 9.832 -6.814 5.061 No H/Q in entry = 9 In of MODEL 18 1 H HIS 26 H HIS 26 15.476 -2.097 1.664 2 HA HIS 26 HA HIS 26 15.786 0.755 1.803 3 HB2 HIS 26 HB2 HIS 26 17.254 -0.952 -0.187 4 HB3 HIS 26 HB3 HIS 26 17.825 0.460 0.706 5 HD2 HIS 26 HD2 HIS 26 18.450 -0.094 3.476 6 HE1 HIS 26 HE1 HIS 26 18.867 -4.237 2.729 7 HE2 HIS 26 HE2 HIS 26 19.439 -2.345 4.314 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 27 HA PRO 27 12.472 1.665 -0.893 2 HB2 PRO 27 HB2 PRO 27 14.321 3.912 -1.617 3 HB3 PRO 27 HB3 PRO 27 12.583 3.961 -1.274 4 HG2 PRO 27 HG2 PRO 27 14.346 4.665 0.589 5 HG3 PRO 27 HG3 PRO 27 12.886 3.731 1.023 6 HD2 PRO 27 HD2 PRO 27 15.739 2.867 0.869 7 HD3 PRO 27 HD3 PRO 27 14.413 2.225 1.862 No H/Q in entry = 7 In of MODEL 18 1 H SER 28 H SER 28 15.731 1.675 -2.319 2 HA SER 28 HA SER 28 14.655 1.936 -4.964 3 HB2 SER 28 HB2 SER 28 16.872 2.880 -4.226 4 HB3 SER 28 HB3 SER 28 17.500 1.231 -4.245 5 HG SER 28 HG SER 28 16.170 2.282 -6.499 No H/Q in entry = 5 In of MODEL 18 1 H ASP 29 H ASP 29 15.642 -0.818 -2.975 2 HA ASP 29 HA ASP 29 15.514 -2.531 -5.359 3 HB2 ASP 29 HB2 ASP 29 16.613 -3.089 -2.598 4 HB3 ASP 29 HB3 ASP 29 16.415 -4.330 -3.826 No H/Q in entry = 4 In of MODEL 18 1 H ILE 30 H ILE 30 13.086 -1.453 -3.800 2 HA ILE 30 HA ILE 30 11.948 -4.129 -3.308 3 HB ILE 30 HB ILE 30 10.906 -3.548 -1.377 4 HG12 ILE 30 HG12 ILE 30 10.822 -0.623 -2.216 5 HG13 ILE 30 HG13 ILE 30 9.509 -1.783 -2.393 6 HG21 ILE 30 HG21 ILE 30 13.193 -1.594 -1.457 7 HG22 ILE 30 HG22 ILE 30 12.284 -1.991 0.001 8 HG23 ILE 30 HG23 ILE 30 13.199 -3.244 -0.834 9 HD11 ILE 30 HD11 ILE 30 9.426 -2.032 0.054 10 HD12 ILE 30 HD12 ILE 30 10.693 -0.813 0.195 11 HD13 ILE 30 HD13 ILE 30 9.125 -0.377 -0.479 No H/Q in entry = 11 In of MODEL 18 1 H GLU 31 H GLU 31 9.584 -4.218 -3.474 2 HA GLU 31 HA GLU 31 8.486 -2.306 -5.416 3 HB2 GLU 31 HB2 GLU 31 8.482 -5.320 -5.572 4 HB3 GLU 31 HB3 GLU 31 7.364 -4.321 -6.494 5 HG2 GLU 31 HG2 GLU 31 9.103 -3.354 -7.760 6 HG3 GLU 31 HG3 GLU 31 10.342 -3.919 -6.644 No H/Q in entry = 6 In of MODEL 18 1 H VAL 32 H VAL 32 6.728 -1.423 -4.549 2 HA VAL 32 HA VAL 32 4.906 -3.108 -2.985 3 HB VAL 32 HB VAL 32 5.540 -2.008 -1.105 4 HG11 VAL 32 HG11 VAL 32 7.519 -1.080 -2.245 5 HG12 VAL 32 HG12 VAL 32 6.557 0.312 -2.743 6 HG13 VAL 32 HG13 VAL 32 6.859 0.009 -1.028 7 HG21 VAL 32 HG21 VAL 32 3.333 -1.035 -1.490 8 HG22 VAL 32 HG22 VAL 32 4.395 0.095 -0.652 9 HG23 VAL 32 HG23 VAL 32 4.070 0.303 -2.372 No H/Q in entry = 9 In of MODEL 18 1 H ASP 33 H ASP 33 2.792 -2.881 -3.503 2 HA ASP 33 HA ASP 33 1.981 -0.535 -5.074 3 HB2 ASP 33 HB2 ASP 33 1.421 -3.440 -5.811 4 HB3 ASP 33 HB3 ASP 33 0.530 -2.078 -6.488 No H/Q in entry = 4 In of MODEL 18 1 H LEU 34 H LEU 34 -0.398 -0.368 -5.152 2 HA LEU 34 HA LEU 34 -1.606 -1.365 -2.653 3 HB2 LEU 34 HB2 LEU 34 -2.002 1.170 -4.191 4 HB3 LEU 34 HB3 LEU 34 -3.343 0.536 -3.261 5 HG LEU 34 HG LEU 34 -1.873 0.586 -1.221 6 HD11 LEU 34 HD11 LEU 34 -0.023 2.144 -3.021 7 HD12 LEU 34 HD12 LEU 34 0.112 2.023 -1.264 8 HD13 LEU 34 HD13 LEU 34 0.309 0.584 -2.263 9 HD21 LEU 34 HD21 LEU 34 -3.513 2.335 -1.700 10 HD22 LEU 34 HD22 LEU 34 -2.100 2.955 -0.846 11 HD23 LEU 34 HD23 LEU 34 -2.277 3.238 -2.580 No H/Q in entry = 11 In of MODEL 18 1 H LEU 35 H LEU 35 -3.328 -2.726 -2.783 2 HA LEU 35 HA LEU 35 -4.242 -3.417 -5.500 3 HB2 LEU 35 HB2 LEU 35 -3.852 -5.328 -3.191 4 HB3 LEU 35 HB3 LEU 35 -4.372 -5.735 -4.806 5 HG LEU 35 HG LEU 35 -1.631 -5.066 -3.819 6 HD11 LEU 35 HD11 LEU 35 -2.834 -7.214 -5.572 7 HD12 LEU 35 HD12 LEU 35 -1.126 -7.097 -5.167 8 HD13 LEU 35 HD13 LEU 35 -2.317 -7.395 -3.895 9 HD21 LEU 35 HD21 LEU 35 -2.102 -3.588 -5.799 10 HD22 LEU 35 HD22 LEU 35 -0.790 -4.744 -6.022 11 HD23 LEU 35 HD23 LEU 35 -2.368 -5.052 -6.742 No H/Q in entry = 11 In of MODEL 18 1 H LYS 36 H LYS 36 -6.202 -4.697 -5.583 2 HA LYS 36 HA LYS 36 -8.115 -4.370 -3.373 3 HB2 LYS 36 HB2 LYS 36 -9.026 -4.750 -6.207 4 HB3 LYS 36 HB3 LYS 36 -9.867 -3.950 -4.859 5 HG2 LYS 36 HG2 LYS 36 -8.292 -2.083 -5.048 6 HG3 LYS 36 HG3 LYS 36 -7.450 -2.905 -6.343 7 HD2 LYS 36 HD2 LYS 36 -9.052 -1.031 -7.065 8 HD3 LYS 36 HD3 LYS 36 -9.159 -2.556 -7.922 9 HE2 LYS 36 HE2 LYS 36 -11.198 -3.059 -6.402 10 HE3 LYS 36 HE3 LYS 36 -11.168 -1.341 -5.985 11 HZ1 LYS 36 HZ1 LYS 36 -11.269 -0.864 -8.386 12 HZ2 LYS 36 HZ2 LYS 36 -11.481 -2.520 -8.680 13 HZ3 LYS 36 HZ3 LYS 36 -12.642 -1.661 -7.787 No H/Q in entry = 13 In of MODEL 18 1 H ASN 37 H ASN 37 -8.279 -6.414 -2.495 2 HA ASN 37 HA ASN 37 -7.814 -8.672 -2.358 3 HB2 ASN 37 HB2 ASN 37 -9.687 -9.482 -4.350 4 HB3 ASN 37 HB3 ASN 37 -9.950 -9.479 -2.632 5 HD21 ASN 37 HD21 ASN 37 -10.106 -7.413 -5.520 6 HD22 ASN 37 HD22 ASN 37 -11.377 -6.396 -4.927 No H/Q in entry = 6 In of MODEL 18 1 H GLY 38 H GLY 38 -5.747 -7.956 -3.636 2 HA2 GLY 38 HA2 GLY 38 -5.199 -10.110 -5.419 3 HA3 GLY 38 HA3 GLY 38 -4.077 -8.853 -4.954 No H/Q in entry = 3 In of MODEL 18 1 H GLU 39 H GLU 39 -5.976 -6.735 -6.016 2 HA GLU 39 HA GLU 39 -5.326 -7.148 -8.853 3 HB2 GLU 39 HB2 GLU 39 -7.752 -7.498 -8.494 4 HB3 GLU 39 HB3 GLU 39 -7.874 -5.883 -7.810 5 HG2 GLU 39 HG2 GLU 39 -8.658 -5.949 -10.136 6 HG3 GLU 39 HG3 GLU 39 -7.251 -4.897 -9.940 No H/Q in entry = 6 In of MODEL 18 1 H ARG 40 H ARG 40 -4.047 -5.629 -9.593 2 HA ARG 40 HA ARG 40 -3.076 -3.511 -8.039 3 HB2 ARG 40 HB2 ARG 40 -2.245 -4.747 -10.324 4 HB3 ARG 40 HB3 ARG 40 -2.880 -3.264 -11.015 5 HG2 ARG 40 HG2 ARG 40 -1.365 -1.947 -9.639 6 HG3 ARG 40 HG3 ARG 40 -0.763 -3.414 -8.870 7 HD2 ARG 40 HD2 ARG 40 0.866 -2.857 -10.471 8 HD3 ARG 40 HD3 ARG 40 -0.038 -4.164 -11.226 9 HE ARG 40 HE ARG 40 -0.967 -1.517 -11.935 10 HH11 ARG 40 HH11 ARG 40 1.263 -4.117 -12.686 11 HH12 ARG 40 HH12 ARG 40 1.511 -3.599 -14.325 12 HH21 ARG 40 HH21 ARG 40 -0.631 -0.819 -14.074 13 HH22 ARG 40 HH22 ARG 40 0.436 -1.718 -15.119 No H/Q in entry = 13 In of MODEL 18 1 H ILE 41 H ILE 41 -3.979 -1.671 -7.490 2 HA ILE 41 HA ILE 41 -6.438 -0.748 -8.487 3 HB ILE 41 HB ILE 41 -4.369 0.703 -6.840 4 HG12 ILE 41 HG12 ILE 41 -6.866 -0.789 -6.043 5 HG13 ILE 41 HG13 ILE 41 -5.227 -1.392 -5.841 6 HG21 ILE 41 HG21 ILE 41 -7.262 1.391 -7.380 7 HG22 ILE 41 HG22 ILE 41 -6.278 2.141 -6.124 8 HG23 ILE 41 HG23 ILE 41 -5.847 2.344 -7.821 9 HD11 ILE 41 HD11 ILE 41 -6.094 1.157 -4.554 10 HD12 ILE 41 HD12 ILE 41 -6.443 -0.416 -3.827 11 HD13 ILE 41 HD13 ILE 41 -4.770 0.069 -4.127 No H/Q in entry = 11 In of MODEL 18 1 H GLU 42 H GLU 42 -3.553 1.318 -8.474 2 HA GLU 42 HA GLU 42 -2.183 1.291 -10.582 3 HB2 GLU 42 HB2 GLU 42 -4.895 1.927 -11.728 4 HB3 GLU 42 HB3 GLU 42 -3.402 2.366 -12.546 5 HG2 GLU 42 HG2 GLU 42 -3.814 -0.466 -11.685 6 HG3 GLU 42 HG3 GLU 42 -4.614 0.157 -13.124 No H/Q in entry = 6 In of MODEL 18 1 H LYS 43 H LYS 43 -4.605 3.475 -9.222 2 HA LYS 43 HA LYS 43 -3.256 5.829 -10.215 3 HB2 LYS 43 HB2 LYS 43 -5.289 5.795 -8.003 4 HB3 LYS 43 HB3 LYS 43 -4.940 7.087 -9.127 5 HG2 LYS 43 HG2 LYS 43 -6.486 4.552 -9.655 6 HG3 LYS 43 HG3 LYS 43 -7.069 6.218 -9.694 7 HD2 LYS 43 HD2 LYS 43 -5.484 6.613 -11.607 8 HD3 LYS 43 HD3 LYS 43 -5.186 4.872 -11.623 9 HE2 LYS 43 HE2 LYS 43 -7.601 4.487 -11.955 10 HE3 LYS 43 HE3 LYS 43 -7.856 6.229 -12.007 11 HZ1 LYS 43 HZ1 LYS 43 -6.158 4.700 -13.908 12 HZ2 LYS 43 HZ2 LYS 43 -7.735 5.233 -14.219 13 HZ3 LYS 43 HZ3 LYS 43 -6.495 6.364 -13.982 No H/Q in entry = 13 In of MODEL 18 1 H VAL 44 H VAL 44 -1.233 4.693 -9.067 2 HA VAL 44 HA VAL 44 -1.058 5.845 -6.379 3 HB VAL 44 HB VAL 44 -1.011 3.070 -6.927 4 HG11 VAL 44 HG11 VAL 44 1.687 4.044 -6.055 5 HG12 VAL 44 HG12 VAL 44 1.141 2.368 -6.009 6 HG13 VAL 44 HG13 VAL 44 1.319 3.199 -7.557 7 HG21 VAL 44 HG21 VAL 44 -0.278 4.615 -4.456 8 HG22 VAL 44 HG22 VAL 44 -1.882 4.051 -4.918 9 HG23 VAL 44 HG23 VAL 44 -0.625 2.886 -4.503 No H/Q in entry = 9 In of MODEL 18 1 H GLU 45 H GLU 45 0.616 7.113 -6.116 2 HA GLU 45 HA GLU 45 2.955 6.885 -7.874 3 HB2 GLU 45 HB2 GLU 45 1.251 9.384 -7.691 4 HB3 GLU 45 HB3 GLU 45 2.854 9.343 -8.395 5 HG2 GLU 45 HG2 GLU 45 2.077 7.922 -10.200 6 HG3 GLU 45 HG3 GLU 45 0.485 7.790 -9.446 No H/Q in entry = 6 In of MODEL 18 1 H HIS 46 H HIS 46 4.544 6.715 -6.346 2 HA HIS 46 HA HIS 46 5.178 9.162 -4.975 3 HB2 HIS 46 HB2 HIS 46 3.735 7.288 -3.531 4 HB3 HIS 46 HB3 HIS 46 5.398 6.885 -3.127 5 HD2 HIS 46 HD2 HIS 46 6.660 9.817 -2.668 6 HE1 HIS 46 HE1 HIS 46 3.415 10.347 -0.022 7 HE2 HIS 46 HE2 HIS 46 5.823 10.957 -0.499 No H/Q in entry = 7 In of MODEL 18 1 H SER 47 H SER 47 7.366 9.370 -4.789 2 HA SER 47 HA SER 47 9.032 6.964 -5.001 3 HB2 SER 47 HB2 SER 47 10.399 8.001 -6.831 4 HB3 SER 47 HB3 SER 47 8.766 7.553 -7.328 5 HG SER 47 HG SER 47 9.340 10.149 -6.389 No H/Q in entry = 5 In of MODEL 18 1 H ASP 48 H ASP 48 10.340 7.155 -3.268 2 HA ASP 48 HA ASP 48 12.025 9.512 -3.172 3 HB2 ASP 48 HB2 ASP 48 11.787 9.832 -0.773 4 HB3 ASP 48 HB3 ASP 48 10.236 10.043 -1.570 No H/Q in entry = 4 In of MODEL 18 1 H LEU 49 H LEU 49 13.994 8.689 -3.392 2 HA LEU 49 HA LEU 49 15.868 7.528 -2.963 3 HB2 LEU 49 HB2 LEU 49 14.267 5.988 -0.901 4 HB3 LEU 49 HB3 LEU 49 15.990 5.804 -1.185 5 HG LEU 49 HG LEU 49 16.211 7.202 0.545 6 HD11 LEU 49 HD11 LEU 49 15.326 9.251 -1.467 7 HD12 LEU 49 HD12 LEU 49 16.220 9.583 0.017 8 HD13 LEU 49 HD13 LEU 49 16.959 8.614 -1.260 9 HD21 LEU 49 HD21 LEU 49 13.415 8.239 0.059 10 HD22 LEU 49 HD22 LEU 49 13.907 7.024 1.243 11 HD23 LEU 49 HD23 LEU 49 14.453 8.691 1.410 No H/Q in entry = 11 In of MODEL 18 1 H SER 50 H SER 50 12.863 6.149 -3.763 2 HA SER 50 HA SER 50 13.361 3.544 -4.431 3 HB2 SER 50 HB2 SER 50 11.798 5.406 -6.215 4 HB3 SER 50 HB3 SER 50 11.496 3.698 -5.885 5 HG SER 50 HG SER 50 10.415 4.243 -4.164 No H/Q in entry = 5 In of MODEL 18 1 H PHE 51 H PHE 51 14.224 6.441 -6.279 2 HA PHE 51 HA PHE 51 16.028 4.739 -7.867 3 HB2 PHE 51 HB2 PHE 51 14.397 7.086 -8.868 4 HB3 PHE 51 HB3 PHE 51 15.668 6.291 -9.789 5 HD1 PHE 51 HD1 PHE 51 12.208 6.285 -8.929 6 HD2 PHE 51 HD2 PHE 51 15.392 3.817 -10.293 7 HE1 PHE 51 HE1 PHE 51 10.574 4.660 -9.790 8 HE2 PHE 51 HE2 PHE 51 13.765 2.186 -11.156 9 HZ PHE 51 HZ PHE 51 11.353 2.608 -10.906 No H/Q in entry = 9 In of MODEL 18 1 H SER 52 H SER 52 16.790 5.901 -5.519 2 HA SER 52 HA SER 52 18.768 7.822 -6.432 3 HB2 SER 52 HB2 SER 52 16.881 9.236 -5.745 4 HB3 SER 52 HB3 SER 52 16.840 8.440 -4.174 5 HG SER 52 HG SER 52 19.304 9.492 -4.879 No H/Q in entry = 5 In of MODEL 18 1 H LYS 53 H LYS 53 17.474 6.410 -3.394 2 HA LYS 53 HA LYS 53 20.236 5.795 -2.624 3 HB2 LYS 53 HB2 LYS 53 18.225 7.316 -0.955 4 HB3 LYS 53 HB3 LYS 53 19.754 6.692 -0.347 5 HG2 LYS 53 HG2 LYS 53 20.995 8.149 -1.772 6 HG3 LYS 53 HG3 LYS 53 19.530 8.657 -2.615 7 HD2 LYS 53 HD2 LYS 53 20.230 10.359 -1.036 8 HD3 LYS 53 HD3 LYS 53 18.695 9.651 -0.528 9 HE2 LYS 53 HE2 LYS 53 19.920 8.202 1.047 10 HE3 LYS 53 HE3 LYS 53 21.426 8.985 0.567 11 HZ1 LYS 53 HZ1 LYS 53 20.532 11.094 1.364 12 HZ2 LYS 53 HZ2 LYS 53 19.100 10.324 1.847 13 HZ3 LYS 53 HZ3 LYS 53 20.565 9.938 2.605 No H/Q in entry = 13 In of MODEL 18 1 H ASP 54 H ASP 54 20.070 4.708 -0.300 2 HA ASP 54 HA ASP 54 18.171 2.478 -0.636 3 HB2 ASP 54 HB2 ASP 54 19.832 1.041 0.373 4 HB3 ASP 54 HB3 ASP 54 20.600 1.927 -0.942 No H/Q in entry = 4 In of MODEL 18 1 H TRP 55 H TRP 55 18.816 5.137 1.169 2 HA TRP 55 HA TRP 55 18.640 4.208 3.811 3 HB2 TRP 55 HB2 TRP 55 19.374 6.527 2.934 4 HB3 TRP 55 HB3 TRP 55 17.660 6.922 2.997 5 HD1 TRP 55 HD1 TRP 55 18.367 8.768 4.928 6 HE1 TRP 55 HE1 TRP 55 18.677 8.466 7.454 7 HE3 TRP 55 HE3 TRP 55 18.840 3.620 5.108 8 HZ2 TRP 55 HZ2 TRP 55 19.042 6.342 9.291 9 HZ3 TRP 55 HZ3 TRP 55 19.159 2.566 7.282 10 HH2 TRP 55 HH2 TRP 55 19.262 3.885 9.343 No H/Q in entry = 10 In of MODEL 18 1 H SER 56 H SER 56 17.052 2.980 4.453 2 HA SER 56 HA SER 56 14.312 3.516 3.631 3 HB2 SER 56 HB2 SER 56 15.188 1.213 3.497 4 HB3 SER 56 HB3 SER 56 15.459 1.227 5.239 5 HG SER 56 HG SER 56 13.138 0.889 3.813 No H/Q in entry = 5 In of MODEL 18 1 H PHE 57 H PHE 57 13.468 5.210 4.987 2 HA PHE 57 HA PHE 57 13.538 4.531 7.832 3 HB2 PHE 57 HB2 PHE 57 12.960 7.061 8.087 4 HB3 PHE 57 HB3 PHE 57 14.621 6.582 7.764 5 HD1 PHE 57 HD1 PHE 57 11.728 8.389 6.519 6 HD2 PHE 57 HD2 PHE 57 15.589 6.900 5.516 7 HE1 PHE 57 HE1 PHE 57 11.789 9.874 4.560 8 HE2 PHE 57 HE2 PHE 57 15.653 8.387 3.554 9 HZ PHE 57 HZ PHE 57 13.755 9.875 3.079 No H/Q in entry = 9 In of MODEL 18 1 H TYR 58 H TYR 58 11.456 6.569 5.741 2 HA TYR 58 HA TYR 58 9.155 4.977 6.640 3 HB2 TYR 58 HB2 TYR 58 9.267 7.070 7.887 4 HB3 TYR 58 HB3 TYR 58 9.396 7.985 6.391 5 HD1 TYR 58 HD1 TYR 58 7.077 5.681 8.224 6 HD2 TYR 58 HD2 TYR 58 7.472 8.839 5.394 7 HE1 TYR 58 HE1 TYR 58 4.616 5.925 8.169 8 HE2 TYR 58 HE2 TYR 58 5.006 9.087 5.321 9 HH TYR 58 HH TYR 58 2.961 7.724 7.606 No H/Q in entry = 9 In of MODEL 18 1 H LEU 59 H LEU 59 8.543 3.903 4.847 2 HA LEU 59 HA LEU 59 8.388 5.323 2.279 3 HB2 LEU 59 HB2 LEU 59 8.593 2.465 3.125 4 HB3 LEU 59 HB3 LEU 59 7.815 2.817 1.603 5 HG LEU 59 HG LEU 59 10.595 3.827 2.172 6 HD11 LEU 59 HD11 LEU 59 10.514 1.388 2.590 7 HD12 LEU 59 HD12 LEU 59 9.919 1.168 0.947 8 HD13 LEU 59 HD13 LEU 59 11.520 1.852 1.221 9 HD21 LEU 59 HD21 LEU 59 8.964 3.230 -0.289 10 HD22 LEU 59 HD22 LEU 59 9.550 4.803 0.257 11 HD23 LEU 59 HD23 LEU 59 10.689 3.592 -0.327 No H/Q in entry = 11 In of MODEL 18 1 H LEU 60 H LEU 60 6.442 6.083 1.657 2 HA LEU 60 HA LEU 60 4.004 4.573 2.286 3 HB2 LEU 60 HB2 LEU 60 4.137 6.280 3.953 4 HB3 LEU 60 HB3 LEU 60 4.649 7.466 2.784 5 HG LEU 60 HG LEU 60 2.088 6.749 1.942 6 HD11 LEU 60 HD11 LEU 60 1.898 5.632 4.196 7 HD12 LEU 60 HD12 LEU 60 2.055 7.232 4.903 8 HD13 LEU 60 HD13 LEU 60 0.689 6.871 3.848 9 HD21 LEU 60 HD21 LEU 60 3.148 8.980 1.927 10 HD22 LEU 60 HD22 LEU 60 1.508 8.988 2.581 11 HD23 LEU 60 HD23 LEU 60 2.890 9.076 3.667 No H/Q in entry = 11 In of MODEL 18 1 H TYR 61 H TYR 61 2.519 4.591 0.631 2 HA TYR 61 HA TYR 61 2.977 6.388 -1.658 3 HB2 TYR 61 HB2 TYR 61 2.161 3.450 -1.700 4 HB3 TYR 61 HB3 TYR 61 2.063 4.501 -3.118 5 HD1 TYR 61 HD1 TYR 61 3.904 4.719 -4.531 6 HD2 TYR 61 HD2 TYR 61 4.534 3.221 -0.598 7 HE1 TYR 61 HE1 TYR 61 6.235 4.212 -5.111 8 HE2 TYR 61 HE2 TYR 61 6.879 2.726 -1.173 9 HH TYR 61 HH TYR 61 8.243 2.298 -3.127 No H/Q in entry = 9 In of MODEL 18 1 H TYR 62 H TYR 62 0.903 6.883 -2.890 2 HA TYR 62 HA TYR 62 -1.426 6.524 -1.152 3 HB2 TYR 62 HB2 TYR 62 -2.161 8.844 -1.581 4 HB3 TYR 62 HB3 TYR 62 -0.675 8.743 -0.652 5 HD1 TYR 62 HD1 TYR 62 -2.015 9.494 -4.054 6 HD2 TYR 62 HD2 TYR 62 1.274 9.846 -1.385 7 HE1 TYR 62 HE1 TYR 62 -0.955 11.095 -5.585 8 HE2 TYR 62 HE2 TYR 62 2.340 11.450 -2.906 9 HH TYR 62 HH TYR 62 2.290 12.002 -5.316 No H/Q in entry = 9 In of MODEL 18 1 H THR 63 H THR 63 -3.348 6.168 -2.097 2 HA THR 63 HA THR 63 -3.689 6.675 -4.962 3 HB THR 63 HB THR 63 -3.050 4.200 -4.504 4 HG1 THR 63 HG1 THR 63 -4.148 5.169 -6.411 5 HG21 THR 63 HG21 THR 63 -4.589 3.870 -2.589 6 HG22 THR 63 HG22 THR 63 -5.944 4.115 -3.684 7 HG23 THR 63 HG23 THR 63 -4.879 2.731 -3.903 No H/Q in entry = 7 In of MODEL 18 1 H GLU 64 H GLU 64 -6.104 6.378 -5.525 2 HA GLU 64 HA GLU 64 -7.594 7.867 -3.478 3 HB2 GLU 64 HB2 GLU 64 -7.179 8.949 -5.734 4 HB3 GLU 64 HB3 GLU 64 -8.096 7.649 -6.472 5 HG2 GLU 64 HG2 GLU 64 -10.062 8.367 -5.085 6 HG3 GLU 64 HG3 GLU 64 -9.102 9.753 -4.569 No H/Q in entry = 6 In of MODEL 18 1 H PHE 65 H PHE 65 -9.483 6.891 -2.605 2 HA PHE 65 HA PHE 65 -10.280 4.401 -3.917 3 HB2 PHE 65 HB2 PHE 65 -10.097 3.121 -1.947 4 HB3 PHE 65 HB3 PHE 65 -8.655 4.095 -2.052 5 HD1 PHE 65 HD1 PHE 65 -12.029 4.779 -0.587 6 HD2 PHE 65 HD2 PHE 65 -7.820 4.550 -0.010 7 HE1 PHE 65 HE1 PHE 65 -12.304 5.512 1.750 8 HE2 PHE 65 HE2 PHE 65 -8.114 5.293 2.328 9 HZ PHE 65 HZ PHE 65 -10.361 5.767 3.198 No H/Q in entry = 9 In of MODEL 18 1 H THR 66 H THR 66 -12.340 3.576 -3.513 2 HA THR 66 HA THR 66 -14.033 5.135 -1.687 3 HB THR 66 HB THR 66 -14.842 4.196 -4.461 4 HG1 THR 66 HG1 THR 66 -13.620 6.436 -3.572 5 HG21 THR 66 HG21 THR 66 -16.346 5.731 -2.338 6 HG22 THR 66 HG22 THR 66 -16.871 5.568 -4.015 7 HG23 THR 66 HG23 THR 66 -16.746 4.138 -2.995 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 67 HA PRO 67 -14.358 0.805 -0.380 2 HB2 PRO 67 HB2 PRO 67 -15.946 1.509 1.875 3 HB3 PRO 67 HB3 PRO 67 -14.237 1.089 1.848 4 HG2 PRO 67 HG2 PRO 67 -15.351 3.641 2.367 5 HG3 PRO 67 HG3 PRO 67 -13.641 3.226 2.187 6 HD2 PRO 67 HD2 PRO 67 -15.401 4.623 0.349 7 HD3 PRO 67 HD3 PRO 67 -13.638 4.466 0.315 No H/Q in entry = 7 In of MODEL 18 1 H THR 68 H THR 68 -15.681 -0.651 -0.768 2 HA THR 68 HA THR 68 -18.536 -0.104 -1.125 3 HB THR 68 HB THR 68 -18.500 -1.535 -3.121 4 HG1 THR 68 HG1 THR 68 -16.214 -1.970 -3.930 5 HG21 THR 68 HG21 THR 68 -18.156 0.883 -3.432 6 HG22 THR 68 HG22 THR 68 -16.412 0.641 -3.312 7 HG23 THR 68 HG23 THR 68 -17.309 -0.063 -4.658 No H/Q in entry = 7 In of MODEL 18 1 H GLU 69 H GLU 69 -19.851 -2.077 -0.882 2 HA GLU 69 HA GLU 69 -18.944 -3.849 1.117 3 HB2 GLU 69 HB2 GLU 69 -21.260 -3.484 0.991 4 HB3 GLU 69 HB3 GLU 69 -21.346 -3.833 -0.726 5 HG2 GLU 69 HG2 GLU 69 -22.321 -5.654 0.401 6 HG3 GLU 69 HG3 GLU 69 -20.736 -6.194 -0.168 No H/Q in entry = 6 In of MODEL 18 1 H LYS 70 H LYS 70 -17.969 -3.780 -2.062 2 HA LYS 70 HA LYS 70 -17.768 -6.689 -2.257 3 HB2 LYS 70 HB2 LYS 70 -17.702 -4.608 -4.446 4 HB3 LYS 70 HB3 LYS 70 -17.494 -6.331 -4.703 5 HG2 LYS 70 HG2 LYS 70 -19.993 -5.450 -3.331 6 HG3 LYS 70 HG3 LYS 70 -19.827 -5.108 -5.052 7 HD2 LYS 70 HD2 LYS 70 -20.967 -7.233 -4.704 8 HD3 LYS 70 HD3 LYS 70 -19.416 -7.476 -5.501 9 HE2 LYS 70 HE2 LYS 70 -18.420 -8.225 -3.445 10 HE3 LYS 70 HE3 LYS 70 -19.887 -7.835 -2.546 11 HZ1 LYS 70 HZ1 LYS 70 -21.050 -9.513 -3.897 12 HZ2 LYS 70 HZ2 LYS 70 -19.576 -9.934 -4.623 13 HZ3 LYS 70 HZ3 LYS 70 -19.801 -10.173 -2.960 No H/Q in entry = 13 In of MODEL 18 1 H ASP 71 H ASP 71 -15.694 -3.792 -2.297 2 HA ASP 71 HA ASP 71 -13.544 -5.530 -3.240 3 HB2 ASP 71 HB2 ASP 71 -13.659 -2.506 -3.276 4 HB3 ASP 71 HB3 ASP 71 -12.369 -3.514 -3.904 No H/Q in entry = 4 In of MODEL 18 1 H GLU 72 H GLU 72 -11.848 -5.926 -2.105 2 HA GLU 72 HA GLU 72 -11.512 -4.958 0.661 3 HB2 GLU 72 HB2 GLU 72 -11.722 -7.349 0.380 4 HB3 GLU 72 HB3 GLU 72 -10.592 -7.371 -0.944 5 HG2 GLU 72 HG2 GLU 72 -9.600 -6.544 1.723 6 HG3 GLU 72 HG3 GLU 72 -9.992 -8.236 1.463 No H/Q in entry = 6 In of MODEL 18 1 H TYR 73 H TYR 73 -9.467 -3.989 1.250 2 HA TYR 73 HA TYR 73 -7.851 -3.177 -1.103 3 HB2 TYR 73 HB2 TYR 73 -8.502 -1.628 1.415 4 HB3 TYR 73 HB3 TYR 73 -7.214 -1.162 0.315 5 HD1 TYR 73 HD1 TYR 73 -7.674 0.168 -1.540 6 HD2 TYR 73 HD2 TYR 73 -10.868 -1.830 0.444 7 HE1 TYR 73 HE1 TYR 73 -9.292 1.379 -2.942 8 HE2 TYR 73 HE2 TYR 73 -12.499 -0.618 -0.963 9 HH TYR 73 HH TYR 73 -12.694 1.318 -2.320 No H/Q in entry = 9 In of MODEL 18 1 H ALA 74 H ALA 74 -5.770 -3.718 -1.125 2 HA ALA 74 HA ALA 74 -4.490 -4.612 1.364 3 HB1 ALA 74 HB1 ALA 74 -5.394 -6.552 0.176 4 HB2 ALA 74 HB2 ALA 74 -3.630 -6.566 0.204 5 HB3 ALA 74 HB3 ALA 74 -4.488 -6.085 -1.267 No H/Q in entry = 5 In of MODEL 18 1 H CYS 75 H CYS 75 -2.104 -4.656 1.238 2 HA CYS 75 HA CYS 75 -1.052 -3.218 -1.120 3 HB2 CYS 75 HB2 CYS 75 -0.905 -1.693 0.724 4 HB3 CYS 75 HB3 CYS 75 -0.184 -2.925 1.749 No H/Q in entry = 4 In of MODEL 18 1 H ARG 76 H ARG 76 0.671 -4.097 -2.131 2 HA ARG 76 HA ARG 76 1.609 -6.706 -1.139 3 HB2 ARG 76 HB2 ARG 76 0.443 -6.439 -3.412 4 HB3 ARG 76 HB3 ARG 76 1.915 -5.605 -3.928 5 HG2 ARG 76 HG2 ARG 76 2.842 -7.591 -4.386 6 HG3 ARG 76 HG3 ARG 76 2.658 -8.080 -2.708 7 HD2 ARG 76 HD2 ARG 76 0.135 -8.508 -3.627 8 HD3 ARG 76 HD3 ARG 76 1.066 -8.854 -5.097 9 HE ARG 76 HE ARG 76 1.855 -10.153 -2.596 10 HH11 ARG 76 HH11 ARG 76 0.445 -10.335 -5.793 11 HH12 ARG 76 HH12 ARG 76 0.523 -12.072 -5.858 12 HH21 ARG 76 HH21 ARG 76 1.967 -12.441 -2.694 13 HH22 ARG 76 HH22 ARG 76 1.369 -13.261 -4.109 No H/Q in entry = 13 In of MODEL 18 1 H VAL 77 H VAL 77 3.764 -6.899 -0.588 2 HA VAL 77 HA VAL 77 5.621 -5.020 -1.878 3 HB VAL 77 HB VAL 77 5.079 -4.443 0.592 4 HG11 VAL 77 HG11 VAL 77 7.022 -6.708 0.991 5 HG12 VAL 77 HG12 VAL 77 6.544 -5.531 2.219 6 HG13 VAL 77 HG13 VAL 77 5.350 -6.644 1.552 7 HG21 VAL 77 HG21 VAL 77 6.833 -3.414 -0.776 8 HG22 VAL 77 HG22 VAL 77 7.313 -3.593 0.912 9 HG23 VAL 77 HG23 VAL 77 7.936 -4.706 -0.303 No H/Q in entry = 9 In of MODEL 18 1 H ASN 78 H ASN 78 7.426 -5.772 -2.571 2 HA ASN 78 HA ASN 78 8.232 -8.536 -1.907 3 HB2 ASN 78 HB2 ASN 78 7.063 -8.429 -4.123 4 HB3 ASN 78 HB3 ASN 78 8.337 -7.350 -4.691 5 HD21 ASN 78 HD21 ASN 78 8.911 -8.812 -6.300 6 HD22 ASN 78 HD22 ASN 78 9.794 -10.258 -5.952 No H/Q in entry = 6 In of MODEL 18 1 H HIS 79 H HIS 79 10.346 -8.932 -1.723 2 HA HIS 79 HA HIS 79 12.255 -6.832 -2.437 3 HB2 HIS 79 HB2 HIS 79 11.708 -6.667 0.013 4 HB3 HIS 79 HB3 HIS 79 12.293 -8.310 0.213 5 HD2 HIS 79 HD2 HIS 79 13.626 -4.710 -0.146 6 HE1 HIS 79 HE1 HIS 79 16.922 -7.323 0.297 7 HE2 HIS 79 HE2 HIS 79 16.208 -4.907 0.058 No H/Q in entry = 7 In of MODEL 18 1 H VAL 80 H VAL 80 14.447 -7.706 -2.663 2 HA VAL 80 HA VAL 80 14.584 -10.016 -4.181 3 HB VAL 80 HB VAL 80 16.851 -8.825 -2.572 4 HG11 VAL 80 HG11 VAL 80 16.892 -10.630 -4.992 5 HG12 VAL 80 HG12 VAL 80 18.302 -9.861 -4.265 6 HG13 VAL 80 HG13 VAL 80 17.387 -11.064 -3.356 7 HG21 VAL 80 HG21 VAL 80 15.901 -8.258 -5.378 8 HG22 VAL 80 HG22 VAL 80 15.849 -7.158 -4.002 9 HG23 VAL 80 HG23 VAL 80 17.400 -7.651 -4.676 No H/Q in entry = 9 In of MODEL 18 1 H THR 81 H THR 81 14.681 -9.741 -0.699 2 HA THR 81 HA THR 81 15.918 -12.320 -0.291 3 HB THR 81 HB THR 81 16.189 -10.685 1.480 4 HG1 THR 81 HG1 THR 81 16.279 -12.506 2.549 5 HG21 THR 81 HG21 THR 81 13.182 -10.819 1.808 6 HG22 THR 81 HG22 THR 81 14.293 -9.993 2.901 7 HG23 THR 81 HG23 THR 81 14.107 -9.429 1.240 No H/Q in entry = 7 In of MODEL 18 1 H LEU 82 H LEU 82 12.543 -11.137 0.048 2 HA LEU 82 HA LEU 82 11.382 -13.664 0.464 3 HB2 LEU 82 HB2 LEU 82 10.023 -11.513 -1.150 4 HB3 LEU 82 HB3 LEU 82 9.296 -12.722 -0.107 5 HG LEU 82 HG LEU 82 10.982 -10.472 0.950 6 HD11 LEU 82 HD11 LEU 82 8.001 -10.648 0.617 7 HD12 LEU 82 HD12 LEU 82 8.847 -9.432 1.575 8 HD13 LEU 82 HD13 LEU 82 9.099 -9.512 -0.167 9 HD21 LEU 82 HD21 LEU 82 10.784 -12.421 2.417 10 HD22 LEU 82 HD22 LEU 82 9.905 -11.038 3.068 11 HD23 LEU 82 HD23 LEU 82 9.027 -12.348 2.274 No H/Q in entry = 11 In of MODEL 18 1 H SER 83 H SER 83 10.336 -15.093 -0.973 2 HA SER 83 HA SER 83 11.199 -14.909 -3.789 3 HB2 SER 83 HB2 SER 83 11.830 -16.969 -2.464 4 HB3 SER 83 HB3 SER 83 10.111 -17.329 -2.318 5 HG SER 83 HG SER 83 10.295 -17.035 -4.808 No H/Q in entry = 5 In of MODEL 18 1 H GLN 84 H GLN 84 8.736 -14.299 -1.736 2 HA GLN 84 HA GLN 84 6.761 -14.212 -3.867 3 HB2 GLN 84 HB2 GLN 84 5.023 -15.268 -2.444 4 HB3 GLN 84 HB3 GLN 84 6.338 -16.370 -2.819 5 HG2 GLN 84 HG2 GLN 84 6.172 -14.850 -0.228 6 HG3 GLN 84 HG3 GLN 84 5.427 -16.429 -0.461 7 HE21 GLN 84 HE21 GLN 84 6.745 -18.244 -0.689 8 HE22 GLN 84 HE22 GLN 84 8.415 -18.228 -0.221 No H/Q in entry = 8 In of MODEL 18 1 HA PRO 85 HA PRO 85 6.190 -10.274 -1.678 2 HB2 PRO 85 HB2 PRO 85 3.976 -9.471 -3.099 3 HB3 PRO 85 HB3 PRO 85 5.651 -9.124 -3.549 4 HG2 PRO 85 HG2 PRO 85 3.781 -11.169 -4.637 5 HG3 PRO 85 HG3 PRO 85 5.081 -10.279 -5.459 6 HD2 PRO 85 HD2 PRO 85 5.309 -12.932 -4.681 7 HD3 PRO 85 HD3 PRO 85 6.713 -11.825 -4.824 No H/Q in entry = 7 In of MODEL 18 1 H LYS 86 H LYS 86 4.651 -9.421 -0.271 2 HA LYS 86 HA LYS 86 2.635 -11.410 0.540 3 HB2 LYS 86 HB2 LYS 86 3.749 -9.214 2.281 4 HB3 LYS 86 HB3 LYS 86 2.804 -10.610 2.780 5 HG2 LYS 86 HG2 LYS 86 5.627 -10.662 1.726 6 HG3 LYS 86 HG3 LYS 86 5.148 -10.834 3.411 7 HD2 LYS 86 HD2 LYS 86 3.962 -12.712 1.439 8 HD3 LYS 86 HD3 LYS 86 5.661 -12.928 1.857 9 HE2 LYS 86 HE2 LYS 86 4.522 -14.293 3.382 10 HE3 LYS 86 HE3 LYS 86 4.884 -12.833 4.298 11 HZ1 LYS 86 HZ1 LYS 86 2.600 -12.069 3.835 12 HZ2 LYS 86 HZ2 LYS 86 2.279 -13.539 3.054 13 HZ3 LYS 86 HZ3 LYS 86 2.636 -13.519 4.711 No H/Q in entry = 13 In of MODEL 18 1 H ILE 87 H ILE 87 0.610 -10.757 1.065 2 HA ILE 87 HA ILE 87 -0.116 -7.997 0.326 3 HB ILE 87 HB ILE 87 -1.498 -10.538 -0.172 4 HG12 ILE 87 HG12 ILE 87 -0.911 -9.296 -2.064 5 HG13 ILE 87 HG13 ILE 87 -2.633 -8.957 -1.891 6 HG21 ILE 87 HG21 ILE 87 -3.059 -8.207 0.908 7 HG22 ILE 87 HG22 ILE 87 -3.774 -9.512 -0.038 8 HG23 ILE 87 HG23 ILE 87 -3.024 -9.859 1.524 9 HD11 ILE 87 HD11 ILE 87 -0.423 -7.165 -0.950 10 HD12 ILE 87 HD12 ILE 87 -1.359 -6.963 -2.428 11 HD13 ILE 87 HD13 ILE 87 -2.153 -6.843 -0.862 No H/Q in entry = 11 In of MODEL 18 1 H VAL 88 H VAL 88 -0.921 -6.664 1.783 2 HA VAL 88 HA VAL 88 -1.825 -7.764 4.361 3 HB VAL 88 HB VAL 88 0.192 -6.381 4.623 4 HG11 VAL 88 HG11 VAL 88 -1.433 -4.209 3.356 5 HG12 VAL 88 HG12 VAL 88 0.074 -3.942 4.232 6 HG13 VAL 88 HG13 VAL 88 0.069 -4.913 2.752 7 HG21 VAL 88 HG21 VAL 88 -2.310 -5.095 5.691 8 HG22 VAL 88 HG22 VAL 88 -1.411 -6.419 6.434 9 HG23 VAL 88 HG23 VAL 88 -0.682 -4.817 6.310 No H/Q in entry = 9 In of MODEL 18 1 H LYS 89 H LYS 89 -3.951 -7.419 4.776 2 HA LYS 89 HA LYS 89 -5.312 -5.579 2.937 3 HB2 LYS 89 HB2 LYS 89 -6.552 -7.947 4.329 4 HB3 LYS 89 HB3 LYS 89 -7.225 -6.992 3.014 5 HG2 LYS 89 HG2 LYS 89 -5.881 -7.957 1.436 6 HG3 LYS 89 HG3 LYS 89 -4.646 -8.401 2.617 7 HD2 LYS 89 HD2 LYS 89 -7.383 -9.636 2.467 8 HD3 LYS 89 HD3 LYS 89 -5.943 -10.341 1.737 9 HE2 LYS 89 HE2 LYS 89 -4.921 -10.514 3.955 10 HE3 LYS 89 HE3 LYS 89 -6.356 -9.788 4.680 11 HZ1 LYS 89 HZ1 LYS 89 -7.581 -11.733 3.553 12 HZ2 LYS 89 HZ2 LYS 89 -6.051 -12.460 3.460 13 HZ3 LYS 89 HZ3 LYS 89 -6.698 -12.042 4.969 No H/Q in entry = 13 In of MODEL 18 1 H TRP 90 H TRP 90 -7.020 -4.315 3.731 2 HA TRP 90 HA TRP 90 -6.529 -3.454 6.461 3 HB2 TRP 90 HB2 TRP 90 -6.584 -1.762 4.676 4 HB3 TRP 90 HB3 TRP 90 -8.219 -2.258 4.255 5 HD1 TRP 90 HD1 TRP 90 -6.760 -1.190 7.732 6 HE1 TRP 90 HE1 TRP 90 -8.223 0.666 8.660 7 HE3 TRP 90 HE3 TRP 90 -10.006 -0.663 3.760 8 HZ2 TRP 90 HZ2 TRP 90 -10.518 2.127 7.883 9 HZ3 TRP 90 HZ3 TRP 90 -11.802 1.001 3.946 10 HH2 TRP 90 HH2 TRP 90 -12.055 2.384 5.946 No H/Q in entry = 10 In of MODEL 18 1 H ASP 91 H ASP 91 -7.865 -3.687 8.147 2 HA ASP 91 HA ASP 91 -9.896 -5.694 8.035 3 HB2 ASP 91 HB2 ASP 91 -9.015 -3.848 10.251 4 HB3 ASP 91 HB3 ASP 91 -10.286 -5.051 10.444 No H/Q in entry = 4 In of MODEL 18 1 H ARG 92 H ARG 92 -11.688 -5.173 6.894 2 HA ARG 92 HA ARG 92 -13.831 -3.985 8.077 3 HB2 ARG 92 HB2 ARG 92 -13.994 -1.740 7.444 4 HB3 ARG 92 HB3 ARG 92 -12.248 -1.904 7.630 5 HG2 ARG 92 HG2 ARG 92 -12.413 -0.772 5.634 6 HG3 ARG 92 HG3 ARG 92 -12.217 -2.446 5.101 7 HD2 ARG 92 HD2 ARG 92 -14.789 -2.508 4.986 8 HD3 ARG 92 HD3 ARG 92 -14.716 -0.743 5.117 9 HE ARG 92 HE ARG 92 -12.999 -1.374 3.087 10 HH11 ARG 92 HH11 ARG 92 -16.374 -2.007 3.778 11 HH12 ARG 92 HH12 ARG 92 -16.800 -2.250 2.114 12 HH21 ARG 92 HH21 ARG 92 -13.555 -1.728 0.903 13 HH22 ARG 92 HH22 ARG 92 -15.196 -2.117 0.484 No H/Q in entry = 13 In of MODEL 18 1 H ASP 93 H ASP 93 -12.211 -5.299 5.488 2 HA ASP 93 HA ASP 93 -14.610 -5.654 3.863 3 HB2 ASP 93 HB2 ASP 93 -13.157 -5.100 1.837 4 HB3 ASP 93 HB3 ASP 93 -13.846 -3.746 2.750 No H/Q in entry = 4 In of MODEL 18 1 HA MET 94 HA MET 94 -10.727 -8.449 2.971 2 HB2 MET 94 HB2 MET 94 -9.650 -9.641 5.066 3 HB3 MET 94 HB3 MET 94 -9.032 -8.118 4.439 4 HG2 MET 94 HG2 MET 94 -9.233 -8.293 6.959 5 HG3 MET 94 HG3 MET 94 -9.967 -6.861 6.234 6 HE1 MET 94 HE1 MET 94 -11.134 -10.636 6.628 7 HE2 MET 94 HE2 MET 94 -10.454 -10.178 8.188 8 HE3 MET 94 HE3 MET 94 -12.184 -10.486 8.037 No H/Q in entry = 8 In of MODEL 19 1 HA MET 1 HA MET 1 5.171 -7.965 7.082 2 HB2 MET 1 HB2 MET 1 5.590 -8.305 9.488 3 HB3 MET 1 HB3 MET 1 5.505 -6.568 9.751 4 HG2 MET 1 HG2 MET 1 3.157 -6.610 8.973 5 HG3 MET 1 HG3 MET 1 3.262 -8.365 8.855 6 HE1 MET 1 HE1 MET 1 3.732 -9.947 10.970 7 HE2 MET 1 HE2 MET 1 5.130 -8.976 11.432 8 HE3 MET 1 HE3 MET 1 3.883 -9.348 12.622 No H/Q in entry = 8 In of MODEL 19 1 H ILE 2 H ILE 2 3.729 -6.842 5.905 2 HA ILE 2 HA ILE 2 3.925 -3.942 5.841 3 HB ILE 2 HB ILE 2 1.762 -5.435 4.378 4 HG12 ILE 2 HG12 ILE 2 4.485 -5.182 3.117 5 HG13 ILE 2 HG13 ILE 2 4.037 -6.613 4.045 6 HG21 ILE 2 HG21 ILE 2 1.896 -2.966 4.301 7 HG22 ILE 2 HG22 ILE 2 3.473 -3.103 3.514 8 HG23 ILE 2 HG23 ILE 2 2.033 -3.723 2.713 9 HD11 ILE 2 HD11 ILE 2 2.507 -5.569 1.673 10 HD12 ILE 2 HD12 ILE 2 3.693 -6.868 1.606 11 HD13 ILE 2 HD13 ILE 2 2.207 -7.076 2.537 No H/Q in entry = 11 In of MODEL 19 1 H GLN 3 H GLN 3 2.479 -2.600 6.790 2 HA GLN 3 HA GLN 3 0.041 -3.825 7.905 3 HB2 GLN 3 HB2 GLN 3 1.761 -1.676 9.168 4 HB3 GLN 3 HB3 GLN 3 0.216 -2.244 9.811 5 HG2 GLN 3 HG2 GLN 3 1.133 -4.462 10.188 6 HG3 GLN 3 HG3 GLN 3 2.670 -3.968 9.433 7 HE21 GLN 3 HE21 GLN 3 0.786 -1.924 11.570 8 HE22 GLN 3 HE22 GLN 3 1.917 -1.929 12.876 No H/Q in entry = 8 In of MODEL 19 1 H VAL 4 H VAL 4 -1.564 -3.101 6.655 2 HA VAL 4 HA VAL 4 -1.415 -0.409 5.565 3 HB VAL 4 HB VAL 4 -3.633 -1.066 4.432 4 HG11 VAL 4 HG11 VAL 4 -1.479 -1.023 3.277 5 HG12 VAL 4 HG12 VAL 4 -1.154 -2.672 3.811 6 HG13 VAL 4 HG13 VAL 4 -2.490 -2.349 2.707 7 HG21 VAL 4 HG21 VAL 4 -4.194 -2.904 5.939 8 HG22 VAL 4 HG22 VAL 4 -4.088 -3.451 4.265 9 HG23 VAL 4 HG23 VAL 4 -2.774 -3.793 5.392 No H/Q in entry = 9 In of MODEL 19 1 H TYR 5 H TYR 5 -2.935 1.128 5.831 2 HA TYR 5 HA TYR 5 -4.964 0.937 7.898 3 HB2 TYR 5 HB2 TYR 5 -2.607 2.842 8.095 4 HB3 TYR 5 HB3 TYR 5 -4.091 3.031 9.017 5 HD1 TYR 5 HD1 TYR 5 -0.950 2.452 9.679 6 HD2 TYR 5 HD2 TYR 5 -4.570 0.217 9.916 7 HE1 TYR 5 HE1 TYR 5 0.033 1.058 11.455 8 HE2 TYR 5 HE2 TYR 5 -3.588 -1.185 11.692 9 HH TYR 5 HH TYR 5 -0.830 -0.373 13.368 No H/Q in entry = 9 In of MODEL 19 1 H SER 6 H SER 6 -5.871 3.386 8.053 2 HA SER 6 HA SER 6 -5.598 4.640 5.410 3 HB2 SER 6 HB2 SER 6 -8.166 4.365 7.004 4 HB3 SER 6 HB3 SER 6 -7.981 5.266 5.493 5 HG SER 6 HG SER 6 -7.101 2.646 5.421 No H/Q in entry = 5 In of MODEL 19 1 H ARG 7 H ARG 7 -5.999 6.911 5.363 2 HA ARG 7 HA ARG 7 -4.896 8.267 7.651 3 HB2 ARG 7 HB2 ARG 7 -4.768 8.760 5.000 4 HB3 ARG 7 HB3 ARG 7 -6.101 9.833 5.417 5 HG2 ARG 7 HG2 ARG 7 -3.407 9.893 6.758 6 HG3 ARG 7 HG3 ARG 7 -3.867 10.912 5.394 7 HD2 ARG 7 HD2 ARG 7 -5.822 11.676 6.832 8 HD3 ARG 7 HD3 ARG 7 -4.995 10.896 8.181 9 HE ARG 7 HE ARG 7 -3.272 12.671 6.760 10 HH11 ARG 7 HH11 ARG 7 -5.813 12.559 9.184 11 HH12 ARG 7 HH12 ARG 7 -5.355 14.069 9.911 12 HH21 ARG 7 HH21 ARG 7 -2.657 14.636 7.724 13 HH22 ARG 7 HH22 ARG 7 -3.556 15.251 9.081 No H/Q in entry = 13 In of MODEL 19 1 H HIS 8 H HIS 8 -8.042 7.585 6.461 2 HA HIS 8 HA HIS 8 -9.264 9.397 8.408 3 HB2 HIS 8 HB2 HIS 8 -10.049 9.192 5.484 4 HB3 HIS 8 HB3 HIS 8 -10.996 10.026 6.710 5 HD2 HIS 8 HD2 HIS 8 -8.762 11.024 4.021 6 HE1 HIS 8 HE1 HIS 8 -7.816 13.695 7.160 7 HE2 HIS 8 HE2 HIS 8 -7.378 13.102 4.735 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 9 HA PRO 9 -11.864 5.962 9.384 2 HB2 PRO 9 HB2 PRO 9 -14.279 7.654 9.257 3 HB3 PRO 9 HB3 PRO 9 -13.575 6.793 10.639 4 HG2 PRO 9 HG2 PRO 9 -13.448 9.489 10.433 5 HG3 PRO 9 HG3 PRO 9 -12.111 8.543 11.126 6 HD2 PRO 9 HD2 PRO 9 -12.383 9.724 8.382 7 HD3 PRO 9 HD3 PRO 9 -10.962 9.711 9.456 No H/Q in entry = 7 In of MODEL 19 1 H ALA 10 H ALA 10 -12.891 4.356 8.307 2 HA ALA 10 HA ALA 10 -13.384 4.476 5.544 3 HB1 ALA 10 HB1 ALA 10 -14.338 2.240 5.806 4 HB2 ALA 10 HB2 ALA 10 -12.856 2.401 6.745 5 HB3 ALA 10 HB3 ALA 10 -14.421 2.469 7.551 No H/Q in entry = 5 In of MODEL 19 1 H GLU 11 H GLU 11 -14.963 6.015 4.862 2 HA GLU 11 HA GLU 11 -17.677 5.477 5.915 3 HB2 GLU 11 HB2 GLU 11 -16.417 7.855 6.088 4 HB3 GLU 11 HB3 GLU 11 -17.089 8.026 4.478 5 HG2 GLU 11 HG2 GLU 11 -18.703 7.453 6.947 6 HG3 GLU 11 HG3 GLU 11 -18.456 9.039 6.234 No H/Q in entry = 6 In of MODEL 19 1 H ASN 12 H ASN 12 -18.440 3.975 4.466 2 HA ASN 12 HA ASN 12 -17.977 3.572 1.848 3 HB2 ASN 12 HB2 ASN 12 -19.406 2.054 2.943 4 HB3 ASN 12 HB3 ASN 12 -20.539 3.304 3.448 5 HD21 ASN 12 HD21 ASN 12 -22.335 2.412 2.587 6 HD22 ASN 12 HD22 ASN 12 -22.592 2.177 0.886 No H/Q in entry = 6 In of MODEL 19 1 H GLY 13 H GLY 13 -17.896 4.848 0.181 2 HA2 GLY 13 HA2 GLY 13 -20.009 6.898 -0.199 3 HA3 GLY 13 HA3 GLY 13 -19.190 6.058 -1.500 No H/Q in entry = 3 In of MODEL 19 1 H LYS 14 H LYS 14 -17.071 7.022 1.024 2 HA LYS 14 HA LYS 14 -16.583 9.647 -0.205 3 HB2 LYS 14 HB2 LYS 14 -14.987 8.443 2.047 4 HB3 LYS 14 HB3 LYS 14 -15.113 10.126 1.596 5 HG2 LYS 14 HG2 LYS 14 -17.333 8.508 2.837 6 HG3 LYS 14 HG3 LYS 14 -16.210 9.542 3.700 7 HD2 LYS 14 HD2 LYS 14 -18.186 10.758 3.461 8 HD3 LYS 14 HD3 LYS 14 -17.025 11.474 2.349 9 HE2 LYS 14 HE2 LYS 14 -19.119 11.356 1.235 10 HE3 LYS 14 HE3 LYS 14 -18.079 10.119 0.529 11 HZ1 LYS 14 HZ1 LYS 14 -20.125 9.622 2.634 12 HZ2 LYS 14 HZ2 LYS 14 -20.357 9.326 0.979 13 HZ3 LYS 14 HZ3 LYS 14 -19.193 8.452 1.846 No H/Q in entry = 13 In of MODEL 19 1 H SER 15 H SER 15 -14.575 10.234 -1.110 2 HA SER 15 HA SER 15 -12.740 8.015 -1.589 3 HB2 SER 15 HB2 SER 15 -11.555 9.897 -3.012 4 HB3 SER 15 HB3 SER 15 -12.939 9.006 -3.646 5 HG SER 15 HG SER 15 -13.776 11.152 -2.221 No H/Q in entry = 5 In of MODEL 19 1 H ASN 16 H ASN 16 -10.680 8.012 -0.924 2 HA ASN 16 HA ASN 16 -9.553 10.062 0.760 3 HB2 ASN 16 HB2 ASN 16 -10.001 7.358 2.044 4 HB3 ASN 16 HB3 ASN 16 -9.438 8.834 2.802 5 HD21 ASN 16 HD21 ASN 16 -10.916 10.207 3.693 6 HD22 ASN 16 HD22 ASN 16 -12.615 9.900 3.723 No H/Q in entry = 6 In of MODEL 19 1 H PHE 17 H PHE 17 -7.555 8.404 1.929 2 HA PHE 17 HA PHE 17 -6.346 7.274 -0.512 3 HB2 PHE 17 HB2 PHE 17 -5.143 8.959 1.666 4 HB3 PHE 17 HB3 PHE 17 -4.133 7.917 0.669 5 HD1 PHE 17 HD1 PHE 17 -4.331 11.079 0.967 6 HD2 PHE 17 HD2 PHE 17 -5.678 8.240 -1.907 7 HE1 PHE 17 HE1 PHE 17 -4.249 12.810 -0.781 8 HE2 PHE 17 HE2 PHE 17 -5.591 9.966 -3.657 9 HZ PHE 17 HZ PHE 17 -4.876 12.253 -3.094 No H/Q in entry = 9 In of MODEL 19 1 H LEU 18 H LEU 18 -5.470 5.266 -0.435 2 HA LEU 18 HA LEU 18 -5.678 3.799 2.080 3 HB2 LEU 18 HB2 LEU 18 -6.490 2.550 0.230 4 HB3 LEU 18 HB3 LEU 18 -5.087 2.945 -0.746 5 HG LEU 18 HG LEU 18 -3.681 1.442 0.574 6 HD11 LEU 18 HD11 LEU 18 -6.155 0.893 2.216 7 HD12 LEU 18 HD12 LEU 18 -4.644 -0.006 2.302 8 HD13 LEU 18 HD13 LEU 18 -4.682 1.690 2.772 9 HD21 LEU 18 HD21 LEU 18 -6.283 0.207 -0.311 10 HD22 LEU 18 HD22 LEU 18 -4.833 0.453 -1.283 11 HD23 LEU 18 HD23 LEU 18 -4.815 -0.696 0.055 No H/Q in entry = 11 In of MODEL 19 1 H ASN 19 H ASN 19 -4.053 3.601 3.401 2 HA ASN 19 HA ASN 19 -1.407 4.488 2.489 3 HB2 ASN 19 HB2 ASN 19 -2.771 4.640 5.181 4 HB3 ASN 19 HB3 ASN 19 -1.025 4.828 5.022 5 HD21 ASN 19 HD21 ASN 19 -1.118 6.917 5.789 6 HD22 ASN 19 HD22 ASN 19 -1.724 8.223 4.833 No H/Q in entry = 6 In of MODEL 19 1 H CYS 20 H CYS 20 -0.090 2.834 2.033 2 HA CYS 20 HA CYS 20 -0.148 0.445 3.765 3 HB2 CYS 20 HB2 CYS 20 -0.543 -0.247 1.535 4 HB3 CYS 20 HB3 CYS 20 0.619 0.905 0.865 No H/Q in entry = 4 In of MODEL 19 1 H TYR 21 H TYR 21 1.499 0.429 5.237 2 HA TYR 21 HA TYR 21 3.875 2.045 4.706 3 HB2 TYR 21 HB2 TYR 21 3.178 0.509 7.215 4 HB3 TYR 21 HB3 TYR 21 4.456 1.700 7.039 5 HD1 TYR 21 HD1 TYR 21 0.905 1.159 7.539 6 HD2 TYR 21 HD2 TYR 21 3.905 4.091 6.850 7 HE1 TYR 21 HE1 TYR 21 -0.687 2.932 8.179 8 HE2 TYR 21 HE2 TYR 21 2.326 5.870 7.491 9 HH TYR 21 HH TYR 21 -0.527 5.323 9.092 No H/Q in entry = 9 In of MODEL 19 1 H VAL 22 H VAL 22 5.786 1.264 4.212 2 HA VAL 22 HA VAL 22 6.297 -1.621 4.502 3 HB VAL 22 HB VAL 22 7.041 0.085 2.085 4 HG11 VAL 22 HG11 VAL 22 8.667 -1.693 2.666 5 HG12 VAL 22 HG12 VAL 22 7.378 -2.886 2.507 6 HG13 VAL 22 HG13 VAL 22 7.887 -1.944 1.102 7 HG21 VAL 22 HG21 VAL 22 4.996 -2.130 2.318 8 HG22 VAL 22 HG22 VAL 22 4.657 -0.417 2.070 9 HG23 VAL 22 HG23 VAL 22 5.486 -1.343 0.815 No H/Q in entry = 9 In of MODEL 19 1 H SER 23 H SER 23 7.907 -1.582 6.064 2 HA SER 23 HA SER 23 9.864 0.632 5.904 3 HB2 SER 23 HB2 SER 23 8.268 0.836 7.786 4 HB3 SER 23 HB3 SER 23 8.816 -0.722 8.402 5 HG SER 23 HG SER 23 10.095 1.760 8.417 No H/Q in entry = 5 In of MODEL 19 1 H GLY 24 H GLY 24 12.014 0.194 6.158 2 HA2 GLY 24 HA2 GLY 24 12.831 -2.529 6.952 3 HA3 GLY 24 HA3 GLY 24 13.851 -1.097 7.001 No H/Q in entry = 3 In of MODEL 19 1 H PHE 25 H PHE 25 12.253 -0.882 4.197 2 HA PHE 25 HA PHE 25 14.206 -2.504 2.691 3 HB2 PHE 25 HB2 PHE 25 11.434 -1.666 1.857 4 HB3 PHE 25 HB3 PHE 25 12.505 -2.747 0.983 5 HD1 PHE 25 HD1 PHE 25 12.834 -5.051 1.705 6 HD2 PHE 25 HD2 PHE 25 10.246 -2.440 3.864 7 HE1 PHE 25 HE1 PHE 25 11.856 -6.993 2.876 8 HE2 PHE 25 HE2 PHE 25 9.263 -4.379 5.043 9 HZ PHE 25 HZ PHE 25 10.049 -6.646 4.515 No H/Q in entry = 9 In of MODEL 19 1 H HIS 26 H HIS 26 15.340 -1.556 1.030 2 HA HIS 26 HA HIS 26 15.490 1.289 0.927 3 HB2 HIS 26 HB2 HIS 26 16.717 0.460 -1.419 4 HB3 HIS 26 HB3 HIS 26 17.494 0.724 0.117 5 HD2 HIS 26 HD2 HIS 26 16.477 -2.238 -2.181 6 HE1 HIS 26 HE1 HIS 26 18.671 -3.713 1.117 7 HE2 HIS 26 HE2 HIS 26 17.955 -4.157 -1.272 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 27 HA PRO 27 11.939 2.195 -1.560 2 HB2 PRO 27 HB2 PRO 27 13.720 4.541 -2.134 3 HB3 PRO 27 HB3 PRO 27 11.995 4.515 -1.733 4 HG2 PRO 27 HG2 PRO 27 13.743 5.150 0.145 5 HG3 PRO 27 HG3 PRO 27 12.390 4.051 0.528 6 HD2 PRO 27 HD2 PRO 27 15.287 3.422 0.058 7 HD3 PRO 27 HD3 PRO 27 14.140 2.693 1.207 No H/Q in entry = 7 In of MODEL 19 1 H SER 28 H SER 28 15.187 1.928 -2.797 2 HA SER 28 HA SER 28 14.303 2.317 -5.527 3 HB2 SER 28 HB2 SER 28 16.442 3.307 -4.827 4 HB3 SER 28 HB3 SER 28 17.074 1.701 -4.473 5 HG SER 28 HG SER 28 16.423 2.858 -6.969 No H/Q in entry = 5 In of MODEL 19 1 H ASP 29 H ASP 29 15.345 -0.449 -3.453 2 HA ASP 29 HA ASP 29 15.070 -2.123 -5.880 3 HB2 ASP 29 HB2 ASP 29 16.482 -2.752 -3.288 4 HB3 ASP 29 HB3 ASP 29 16.237 -3.911 -4.585 No H/Q in entry = 4 In of MODEL 19 1 H ILE 30 H ILE 30 12.726 -1.238 -4.209 2 HA ILE 30 HA ILE 30 11.815 -3.991 -3.679 3 HB ILE 30 HB ILE 30 10.714 -3.463 -1.752 4 HG12 ILE 30 HG12 ILE 30 10.625 -0.521 -2.505 5 HG13 ILE 30 HG13 ILE 30 9.324 -1.681 -2.767 6 HG21 ILE 30 HG21 ILE 30 12.994 -1.517 -1.795 7 HG22 ILE 30 HG22 ILE 30 12.078 -1.925 -0.345 8 HG23 ILE 30 HG23 ILE 30 12.992 -3.171 -1.189 9 HD11 ILE 30 HD11 ILE 30 9.278 -2.060 -0.302 10 HD12 ILE 30 HD12 ILE 30 10.408 -0.713 -0.145 11 HD13 ILE 30 HD13 ILE 30 8.805 -0.445 -0.822 No H/Q in entry = 11 In of MODEL 19 1 H GLU 31 H GLU 31 9.414 -4.203 -3.762 2 HA GLU 31 HA GLU 31 8.269 -2.407 -5.750 3 HB2 GLU 31 HB2 GLU 31 9.347 -4.899 -6.150 4 HB3 GLU 31 HB3 GLU 31 7.629 -5.185 -6.112 5 HG2 GLU 31 HG2 GLU 31 9.124 -3.250 -7.898 6 HG3 GLU 31 HG3 GLU 31 8.393 -4.775 -8.406 No H/Q in entry = 6 In of MODEL 19 1 H VAL 32 H VAL 32 6.385 -1.787 -5.100 2 HA VAL 32 HA VAL 32 4.692 -3.468 -3.404 3 HB VAL 32 HB VAL 32 5.206 -2.286 -1.538 4 HG11 VAL 32 HG11 VAL 32 7.219 -1.386 -2.654 5 HG12 VAL 32 HG12 VAL 32 6.267 -0.011 -3.211 6 HG13 VAL 32 HG13 VAL 32 6.520 -0.269 -1.483 7 HG21 VAL 32 HG21 VAL 32 3.013 -1.335 -2.024 8 HG22 VAL 32 HG22 VAL 32 4.048 -0.174 -1.192 9 HG23 VAL 32 HG23 VAL 32 3.771 -0.025 -2.928 No H/Q in entry = 9 In of MODEL 19 1 H ASP 33 H ASP 33 2.537 -3.316 -3.827 2 HA ASP 33 HA ASP 33 1.616 -1.079 -5.501 3 HB2 ASP 33 HB2 ASP 33 1.050 -4.034 -6.044 4 HB3 ASP 33 HB3 ASP 33 0.143 -2.704 -6.771 No H/Q in entry = 4 In of MODEL 19 1 H LEU 34 H LEU 34 -0.711 -0.869 -5.454 2 HA LEU 34 HA LEU 34 -1.863 -1.830 -2.917 3 HB2 LEU 34 HB2 LEU 34 -2.213 0.714 -4.440 4 HB3 LEU 34 HB3 LEU 34 -3.591 0.113 -3.541 5 HG LEU 34 HG LEU 34 -2.157 0.104 -1.472 6 HD11 LEU 34 HD11 LEU 34 0.039 0.038 -2.547 7 HD12 LEU 34 HD12 LEU 34 -0.228 1.663 -3.186 8 HD13 LEU 34 HD13 LEU 34 -0.111 1.404 -1.442 9 HD21 LEU 34 HD21 LEU 34 -3.724 1.925 -1.979 10 HD22 LEU 34 HD22 LEU 34 -2.313 2.476 -1.074 11 HD23 LEU 34 HD23 LEU 34 -2.427 2.788 -2.808 No H/Q in entry = 11 In of MODEL 19 1 H LEU 35 H LEU 35 -3.603 -3.150 -2.984 2 HA LEU 35 HA LEU 35 -4.604 -3.891 -5.656 3 HB2 LEU 35 HB2 LEU 35 -4.152 -5.746 -3.313 4 HB3 LEU 35 HB3 LEU 35 -4.712 -6.195 -4.905 5 HG LEU 35 HG LEU 35 -1.955 -5.458 -4.007 6 HD11 LEU 35 HD11 LEU 35 -3.215 -7.714 -5.564 7 HD12 LEU 35 HD12 LEU 35 -1.481 -7.530 -5.330 8 HD13 LEU 35 HD13 LEU 35 -2.537 -7.781 -3.938 9 HD21 LEU 35 HD21 LEU 35 -2.479 -4.081 -6.024 10 HD22 LEU 35 HD22 LEU 35 -1.193 -5.265 -6.262 11 HD23 LEU 35 HD23 LEU 35 -2.809 -5.578 -6.892 No H/Q in entry = 11 In of MODEL 19 1 H LYS 36 H LYS 36 -6.594 -5.142 -5.658 2 HA LYS 36 HA LYS 36 -8.363 -4.828 -3.321 3 HB2 LYS 36 HB2 LYS 36 -9.543 -5.254 -6.029 4 HB3 LYS 36 HB3 LYS 36 -10.182 -4.311 -4.664 5 HG2 LYS 36 HG2 LYS 36 -8.610 -2.518 -5.191 6 HG3 LYS 36 HG3 LYS 36 -7.873 -3.498 -6.447 7 HD2 LYS 36 HD2 LYS 36 -9.449 -1.709 -7.312 8 HD3 LYS 36 HD3 LYS 36 -9.734 -3.335 -7.906 9 HE2 LYS 36 HE2 LYS 36 -11.631 -3.431 -6.101 10 HE3 LYS 36 HE3 LYS 36 -11.462 -1.670 -6.039 11 HZ1 LYS 36 HZ1 LYS 36 -11.913 -3.169 -8.550 12 HZ2 LYS 36 HZ2 LYS 36 -13.151 -2.484 -7.613 13 HZ3 LYS 36 HZ3 LYS 36 -11.968 -1.492 -8.306 No H/Q in entry = 13 In of MODEL 19 1 H ASN 37 H ASN 37 -8.418 -6.886 -2.449 2 HA ASN 37 HA ASN 37 -8.106 -9.168 -2.376 3 HB2 ASN 37 HB2 ASN 37 -10.030 -10.290 -3.735 4 HB3 ASN 37 HB3 ASN 37 -10.438 -9.191 -2.426 5 HD21 ASN 37 HD21 ASN 37 -10.999 -7.017 -2.994 6 HD22 ASN 37 HD22 ASN 37 -11.754 -6.676 -4.513 No H/Q in entry = 6 In of MODEL 19 1 H GLY 38 H GLY 38 -6.063 -8.445 -3.788 2 HA2 GLY 38 HA2 GLY 38 -5.633 -10.610 -5.582 3 HA3 GLY 38 HA3 GLY 38 -4.482 -9.351 -5.209 No H/Q in entry = 3 In of MODEL 19 1 H GLU 39 H GLU 39 -6.444 -7.245 -6.152 2 HA GLU 39 HA GLU 39 -5.988 -7.676 -9.029 3 HB2 GLU 39 HB2 GLU 39 -8.411 -7.940 -8.427 4 HB3 GLU 39 HB3 GLU 39 -8.403 -6.282 -7.842 5 HG2 GLU 39 HG2 GLU 39 -9.353 -6.264 -10.014 6 HG3 GLU 39 HG3 GLU 39 -7.738 -5.564 -10.142 No H/Q in entry = 6 In of MODEL 19 1 H ARG 40 H ARG 40 -4.560 -6.242 -9.702 2 HA ARG 40 HA ARG 40 -3.641 -4.093 -8.156 3 HB2 ARG 40 HB2 ARG 40 -2.666 -5.432 -10.305 4 HB3 ARG 40 HB3 ARG 40 -3.203 -3.973 -11.108 5 HG2 ARG 40 HG2 ARG 40 -1.853 -2.670 -9.423 6 HG3 ARG 40 HG3 ARG 40 -1.194 -4.216 -8.890 7 HD2 ARG 40 HD2 ARG 40 0.424 -3.474 -10.374 8 HD3 ARG 40 HD3 ARG 40 -0.554 -4.509 -11.417 9 HE ARG 40 HE ARG 40 -1.493 -2.574 -12.409 10 HH11 ARG 40 HH11 ARG 40 1.062 -1.859 -10.095 11 HH12 ARG 40 HH12 ARG 40 1.414 -0.303 -10.780 12 HH21 ARG 40 HH21 ARG 40 -1.032 -0.514 -13.287 13 HH22 ARG 40 HH22 ARG 40 0.203 0.483 -12.572 No H/Q in entry = 13 In of MODEL 19 1 H ILE 41 H ILE 41 -4.462 -2.212 -7.754 2 HA ILE 41 HA ILE 41 -6.884 -1.223 -8.799 3 HB ILE 41 HB ILE 41 -4.753 0.253 -7.258 4 HG12 ILE 41 HG12 ILE 41 -7.112 -1.371 -6.265 5 HG13 ILE 41 HG13 ILE 41 -5.418 -1.836 -6.129 6 HG21 ILE 41 HG21 ILE 41 -7.671 0.869 -7.726 7 HG22 ILE 41 HG22 ILE 41 -6.807 1.501 -6.326 8 HG23 ILE 41 HG23 ILE 41 -6.277 1.924 -7.947 9 HD11 ILE 41 HD11 ILE 41 -6.369 0.697 -4.875 10 HD12 ILE 41 HD12 ILE 41 -6.670 -0.860 -4.102 11 HD13 ILE 41 HD13 ILE 41 -5.015 -0.355 -4.438 No H/Q in entry = 11 In of MODEL 19 1 H GLU 42 H GLU 42 -4.091 0.843 -8.692 2 HA GLU 42 HA GLU 42 -2.625 0.804 -10.703 3 HB2 GLU 42 HB2 GLU 42 -5.132 0.725 -12.061 4 HB3 GLU 42 HB3 GLU 42 -4.455 2.290 -12.377 5 HG2 GLU 42 HG2 GLU 42 -2.548 1.367 -13.364 6 HG3 GLU 42 HG3 GLU 42 -2.943 -0.254 -12.790 No H/Q in entry = 6 In of MODEL 19 1 H LYS 43 H LYS 43 -4.994 3.018 -9.305 2 HA LYS 43 HA LYS 43 -3.747 5.386 -10.374 3 HB2 LYS 43 HB2 LYS 43 -5.721 5.210 -8.092 4 HB3 LYS 43 HB3 LYS 43 -5.397 6.592 -9.120 5 HG2 LYS 43 HG2 LYS 43 -6.877 4.066 -9.862 6 HG3 LYS 43 HG3 LYS 43 -7.519 5.705 -9.753 7 HD2 LYS 43 HD2 LYS 43 -5.804 6.261 -11.585 8 HD3 LYS 43 HD3 LYS 43 -5.708 4.510 -11.802 9 HE2 LYS 43 HE2 LYS 43 -8.108 4.413 -12.231 10 HE3 LYS 43 HE3 LYS 43 -8.235 6.153 -11.970 11 HZ1 LYS 43 HZ1 LYS 43 -6.779 6.504 -13.867 12 HZ2 LYS 43 HZ2 LYS 43 -6.678 4.830 -14.129 13 HZ3 LYS 43 HZ3 LYS 43 -8.164 5.632 -14.319 No H/Q in entry = 13 In of MODEL 19 1 H VAL 44 H VAL 44 -1.664 4.197 -9.236 2 HA VAL 44 HA VAL 44 -1.427 5.394 -6.568 3 HB VAL 44 HB VAL 44 -1.534 2.663 -6.964 4 HG11 VAL 44 HG11 VAL 44 1.350 3.444 -6.746 5 HG12 VAL 44 HG12 VAL 44 0.722 1.822 -6.446 6 HG13 VAL 44 HG13 VAL 44 0.600 2.534 -8.056 7 HG21 VAL 44 HG21 VAL 44 -1.872 3.812 -4.868 8 HG22 VAL 44 HG22 VAL 44 -0.730 2.482 -4.675 9 HG23 VAL 44 HG23 VAL 44 -0.144 4.146 -4.754 No H/Q in entry = 9 In of MODEL 19 1 H GLU 45 H GLU 45 0.341 6.590 -6.304 2 HA GLU 45 HA GLU 45 2.589 6.271 -8.154 3 HB2 GLU 45 HB2 GLU 45 1.120 8.905 -7.861 4 HB3 GLU 45 HB3 GLU 45 2.621 8.676 -8.736 5 HG2 GLU 45 HG2 GLU 45 1.487 7.295 -10.389 6 HG3 GLU 45 HG3 GLU 45 -0.020 7.405 -9.478 No H/Q in entry = 6 In of MODEL 19 1 H HIS 46 H HIS 46 4.208 5.965 -6.706 2 HA HIS 46 HA HIS 46 4.935 8.413 -5.306 3 HB2 HIS 46 HB2 HIS 46 4.051 6.977 -3.533 4 HB3 HIS 46 HB3 HIS 46 5.085 5.655 -4.060 5 HD2 HIS 46 HD2 HIS 46 6.046 9.381 -3.135 6 HE1 HIS 46 HE1 HIS 46 8.442 6.660 -0.962 7 HE2 HIS 46 HE2 HIS 46 7.829 9.100 -1.268 No H/Q in entry = 7 In of MODEL 19 1 H SER 47 H SER 47 6.848 9.016 -5.980 2 HA SER 47 HA SER 47 8.492 7.118 -7.450 3 HB2 SER 47 HB2 SER 47 8.861 10.106 -7.119 4 HB3 SER 47 HB3 SER 47 9.613 9.070 -8.330 5 HG SER 47 HG SER 47 6.977 8.740 -8.498 No H/Q in entry = 5 In of MODEL 19 1 H ASP 48 H ASP 48 10.410 6.374 -6.746 2 HA ASP 48 HA ASP 48 10.819 6.474 -3.952 3 HB2 ASP 48 HB2 ASP 48 12.308 4.750 -4.222 4 HB3 ASP 48 HB3 ASP 48 11.366 4.589 -5.700 No H/Q in entry = 4 In of MODEL 19 1 H LEU 49 H LEU 49 12.880 6.915 -2.915 2 HA LEU 49 HA LEU 49 14.221 9.258 -4.068 3 HB2 LEU 49 HB2 LEU 49 14.102 10.244 -1.665 4 HB3 LEU 49 HB3 LEU 49 12.737 10.462 -2.748 5 HG LEU 49 HG LEU 49 12.053 9.978 -0.431 6 HD11 LEU 49 HD11 LEU 49 11.326 7.819 -2.381 7 HD12 LEU 49 HD12 LEU 49 10.527 8.068 -0.828 8 HD13 LEU 49 HD13 LEU 49 10.464 9.325 -2.060 9 HD21 LEU 49 HD21 LEU 49 13.972 8.598 0.241 10 HD22 LEU 49 HD22 LEU 49 12.418 7.880 0.657 11 HD23 LEU 49 HD23 LEU 49 13.325 7.270 -0.725 No H/Q in entry = 11 In of MODEL 19 1 H SER 50 H SER 50 15.243 6.655 -3.898 2 HA SER 50 HA SER 50 16.715 6.269 -1.481 3 HB2 SER 50 HB2 SER 50 15.976 4.432 -3.013 4 HB3 SER 50 HB3 SER 50 17.156 4.997 -4.193 5 HG SER 50 HG SER 50 18.201 4.589 -1.680 No H/Q in entry = 5 In of MODEL 19 1 H PHE 51 H PHE 51 17.492 7.492 -4.733 2 HA PHE 51 HA PHE 51 19.271 8.675 -5.529 3 HB2 PHE 51 HB2 PHE 51 18.240 10.235 -3.823 4 HB3 PHE 51 HB3 PHE 51 19.475 9.705 -2.690 5 HD1 PHE 51 HD1 PHE 51 19.165 11.117 -6.131 6 HD2 PHE 51 HD2 PHE 51 21.396 10.958 -2.509 7 HE1 PHE 51 HE1 PHE 51 20.674 12.861 -6.985 8 HE2 PHE 51 HE2 PHE 51 22.908 12.701 -3.359 9 HZ PHE 51 HZ PHE 51 22.549 13.658 -5.598 No H/Q in entry = 9 In of MODEL 19 1 H SER 52 H SER 52 19.936 6.098 -4.936 2 HA SER 52 HA SER 52 21.717 4.718 -4.707 3 HB2 SER 52 HB2 SER 52 23.287 7.301 -4.855 4 HB3 SER 52 HB3 SER 52 23.969 5.684 -5.036 5 HG SER 52 HG SER 52 22.976 5.443 -6.942 No H/Q in entry = 5 In of MODEL 19 1 H LYS 53 H LYS 53 20.404 5.788 -2.364 2 HA LYS 53 HA LYS 53 22.443 5.016 -0.413 3 HB2 LYS 53 HB2 LYS 53 22.430 7.341 -0.056 4 HB3 LYS 53 HB3 LYS 53 20.707 7.473 -0.365 5 HG2 LYS 53 HG2 LYS 53 21.155 7.852 1.963 6 HG3 LYS 53 HG3 LYS 53 20.251 6.352 1.770 7 HD2 LYS 53 HD2 LYS 53 22.361 5.087 1.996 8 HD3 LYS 53 HD3 LYS 53 23.221 6.608 2.255 9 HE2 LYS 53 HE2 LYS 53 21.862 7.050 4.232 10 HE3 LYS 53 HE3 LYS 53 20.976 5.549 3.971 11 HZ1 LYS 53 HZ1 LYS 53 23.881 5.759 4.548 12 HZ2 LYS 53 HZ2 LYS 53 22.684 5.309 5.660 13 HZ3 LYS 53 HZ3 LYS 53 23.020 4.316 4.324 No H/Q in entry = 13 In of MODEL 19 1 H ASP 54 H ASP 54 21.717 3.380 0.822 2 HA ASP 54 HA ASP 54 18.879 2.730 0.620 3 HB2 ASP 54 HB2 ASP 54 19.422 0.517 1.330 4 HB3 ASP 54 HB3 ASP 54 20.630 0.978 0.141 No H/Q in entry = 4 In of MODEL 19 1 H TRP 55 H TRP 55 17.642 3.660 2.070 2 HA TRP 55 HA TRP 55 17.873 2.837 4.756 3 HB2 TRP 55 HB2 TRP 55 18.353 4.767 5.931 4 HB3 TRP 55 HB3 TRP 55 19.457 4.879 4.578 5 HD1 TRP 55 HD1 TRP 55 17.606 7.064 6.606 6 HE1 TRP 55 HE1 TRP 55 16.879 9.208 5.400 7 HE3 TRP 55 HE3 TRP 55 18.220 5.551 1.692 8 HZ2 TRP 55 HZ2 TRP 55 16.580 10.146 2.767 9 HZ3 TRP 55 HZ3 TRP 55 17.675 7.159 -0.075 10 HH2 TRP 55 HH2 TRP 55 16.875 9.400 0.441 No H/Q in entry = 10 In of MODEL 19 1 H SER 56 H SER 56 15.926 2.240 5.147 2 HA SER 56 HA SER 56 13.696 3.626 3.879 3 HB2 SER 56 HB2 SER 56 13.855 1.151 3.749 4 HB3 SER 56 HB3 SER 56 13.735 1.075 5.504 5 HG SER 56 HG SER 56 11.782 1.616 3.598 No H/Q in entry = 5 In of MODEL 19 1 H PHE 57 H PHE 57 12.770 5.333 5.153 2 HA PHE 57 HA PHE 57 12.870 4.895 8.028 3 HB2 PHE 57 HB2 PHE 57 12.574 7.402 8.155 4 HB3 PHE 57 HB3 PHE 57 14.105 6.872 7.469 5 HD1 PHE 57 HD1 PHE 57 14.333 6.895 4.921 6 HD2 PHE 57 HD2 PHE 57 11.200 8.896 6.998 7 HE1 PHE 57 HE1 PHE 57 13.943 8.325 2.956 8 HE2 PHE 57 HE2 PHE 57 10.803 10.320 5.031 9 HZ PHE 57 HZ PHE 57 12.177 10.026 3.004 No H/Q in entry = 9 In of MODEL 19 1 H TYR 58 H TYR 58 10.836 6.765 5.736 2 HA TYR 58 HA TYR 58 8.538 5.166 6.612 3 HB2 TYR 58 HB2 TYR 58 8.595 7.360 7.716 4 HB3 TYR 58 HB3 TYR 58 8.709 8.156 6.157 5 HD1 TYR 58 HD1 TYR 58 6.723 8.521 4.801 6 HD2 TYR 58 HD2 TYR 58 6.462 6.314 8.439 7 HE1 TYR 58 HE1 TYR 58 4.260 8.730 4.746 8 HE2 TYR 58 HE2 TYR 58 3.999 6.511 8.384 9 HH TYR 58 HH TYR 58 2.298 7.931 7.427 No H/Q in entry = 9 In of MODEL 19 1 H LEU 59 H LEU 59 8.186 3.937 4.811 2 HA LEU 59 HA LEU 59 8.071 5.254 2.181 3 HB2 LEU 59 HB2 LEU 59 8.537 2.490 3.150 4 HB3 LEU 59 HB3 LEU 59 7.592 2.628 1.688 5 HG LEU 59 HG LEU 59 10.327 3.871 1.938 6 HD11 LEU 59 HD11 LEU 59 9.595 1.107 0.979 7 HD12 LEU 59 HD12 LEU 59 11.171 1.870 0.776 8 HD13 LEU 59 HD13 LEU 59 10.569 1.501 2.392 9 HD21 LEU 59 HD21 LEU 59 8.469 3.175 -0.325 10 HD22 LEU 59 HD22 LEU 59 9.133 4.755 0.095 11 HD23 LEU 59 HD23 LEU 59 10.182 3.509 -0.572 No H/Q in entry = 11 In of MODEL 19 1 H LEU 60 H LEU 60 6.111 5.821 1.426 2 HA LEU 60 HA LEU 60 3.819 4.115 1.954 3 HB2 LEU 60 HB2 LEU 60 3.710 5.752 3.703 4 HB3 LEU 60 HB3 LEU 60 4.043 7.051 2.579 5 HG LEU 60 HG LEU 60 1.836 6.629 1.508 6 HD11 LEU 60 HD11 LEU 60 1.585 4.292 2.171 7 HD12 LEU 60 HD12 LEU 60 1.418 4.792 3.854 8 HD13 LEU 60 HD13 LEU 60 0.201 5.265 2.670 9 HD21 LEU 60 HD21 LEU 60 1.796 7.241 4.457 10 HD22 LEU 60 HD22 LEU 60 2.095 8.391 3.155 11 HD23 LEU 60 HD23 LEU 60 0.513 7.629 3.311 No H/Q in entry = 11 In of MODEL 19 1 H TYR 61 H TYR 61 2.298 4.170 0.344 2 HA TYR 61 HA TYR 61 2.810 5.880 -2.014 3 HB2 TYR 61 HB2 TYR 61 1.996 2.939 -1.861 4 HB3 TYR 61 HB3 TYR 61 1.793 3.905 -3.335 5 HD1 TYR 61 HD1 TYR 61 4.546 3.286 -0.834 6 HD2 TYR 61 HD2 TYR 61 3.433 3.599 -4.921 7 HE1 TYR 61 HE1 TYR 61 6.864 2.814 -1.505 8 HE2 TYR 61 HE2 TYR 61 5.742 3.113 -5.603 9 HH TYR 61 HH TYR 61 8.011 3.286 -4.638 No H/Q in entry = 9 In of MODEL 19 1 H TYR 62 H TYR 62 0.662 6.206 -3.287 2 HA TYR 62 HA TYR 62 -1.603 5.996 -1.469 3 HB2 TYR 62 HB2 TYR 62 -2.220 8.426 -1.970 4 HB3 TYR 62 HB3 TYR 62 -0.971 8.109 -0.781 5 HD1 TYR 62 HD1 TYR 62 1.226 8.966 -1.062 6 HD2 TYR 62 HD2 TYR 62 -1.568 9.283 -4.247 7 HE1 TYR 62 HE1 TYR 62 2.727 10.538 -2.206 8 HE2 TYR 62 HE2 TYR 62 -0.069 10.848 -5.414 9 HH TYR 62 HH TYR 62 3.180 11.455 -4.308 No H/Q in entry = 9 In of MODEL 19 1 H THR 63 H THR 63 -3.540 5.711 -2.379 2 HA THR 63 HA THR 63 -3.936 6.294 -5.215 3 HB THR 63 HB THR 63 -3.250 3.814 -4.870 4 HG1 THR 63 HG1 THR 63 -4.495 4.861 -6.682 5 HG21 THR 63 HG21 THR 63 -6.085 3.714 -3.856 6 HG22 THR 63 HG22 THR 63 -5.138 2.313 -4.349 7 HG23 THR 63 HG23 THR 63 -4.641 3.267 -2.955 No H/Q in entry = 7 In of MODEL 19 1 H GLU 64 H GLU 64 -6.003 6.955 -5.661 2 HA GLU 64 HA GLU 64 -7.714 7.771 -3.580 3 HB2 GLU 64 HB2 GLU 64 -7.451 8.460 -6.168 4 HB3 GLU 64 HB3 GLU 64 -8.792 7.331 -6.327 5 HG2 GLU 64 HG2 GLU 64 -9.808 9.422 -6.105 6 HG3 GLU 64 HG3 GLU 64 -9.963 8.667 -4.518 No H/Q in entry = 6 In of MODEL 19 1 H PHE 65 H PHE 65 -9.443 6.718 -2.584 2 HA PHE 65 HA PHE 65 -10.426 4.276 -3.885 3 HB2 PHE 65 HB2 PHE 65 -10.385 3.009 -1.875 4 HB3 PHE 65 HB3 PHE 65 -8.819 3.763 -2.039 5 HD1 PHE 65 HD1 PHE 65 -7.887 4.204 -0.030 6 HD2 PHE 65 HD2 PHE 65 -12.052 4.887 -0.516 7 HE1 PHE 65 HE1 PHE 65 -8.036 5.016 2.298 8 HE2 PHE 65 HE2 PHE 65 -12.188 5.704 1.802 9 HZ PHE 65 HZ PHE 65 -10.192 5.757 3.214 No H/Q in entry = 9 In of MODEL 19 1 H THR 66 H THR 66 -12.581 3.679 -3.400 2 HA THR 66 HA THR 66 -14.034 5.353 -1.479 3 HB THR 66 HB THR 66 -15.104 4.545 -4.209 4 HG1 THR 66 HG1 THR 66 -13.723 6.740 -3.302 5 HG21 THR 66 HG21 THR 66 -16.338 6.158 -1.958 6 HG22 THR 66 HG22 THR 66 -16.994 6.054 -3.597 7 HG23 THR 66 HG23 THR 66 -16.896 4.606 -2.597 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 67 HA PRO 67 -14.568 1.031 -0.293 2 HB2 PRO 67 HB2 PRO 67 -15.843 1.730 2.145 3 HB3 PRO 67 HB3 PRO 67 -14.173 1.234 1.912 4 HG2 PRO 67 HG2 PRO 67 -15.088 3.811 2.642 5 HG3 PRO 67 HG3 PRO 67 -13.434 3.329 2.240 6 HD2 PRO 67 HD2 PRO 67 -15.364 4.846 0.667 7 HD3 PRO 67 HD3 PRO 67 -13.614 4.675 0.440 No H/Q in entry = 7 In of MODEL 19 1 H THR 68 H THR 68 -16.033 -0.359 -0.450 2 HA THR 68 HA THR 68 -18.883 0.301 -0.351 3 HB THR 68 HB THR 68 -19.302 -0.998 -2.362 4 HG1 THR 68 HG1 THR 68 -16.985 -1.491 -3.447 5 HG21 THR 68 HG21 THR 68 -18.715 1.368 -2.715 6 HG22 THR 68 HG22 THR 68 -17.026 0.905 -2.916 7 HG23 THR 68 HG23 THR 68 -18.235 0.354 -4.078 No H/Q in entry = 7 In of MODEL 19 1 H GLU 69 H GLU 69 -20.154 -1.691 0.153 2 HA GLU 69 HA GLU 69 -18.763 -3.411 1.917 3 HB2 GLU 69 HB2 GLU 69 -20.920 -4.760 1.910 4 HB3 GLU 69 HB3 GLU 69 -20.991 -3.109 2.504 5 HG2 GLU 69 HG2 GLU 69 -21.961 -2.394 0.394 6 HG3 GLU 69 HG3 GLU 69 -21.855 -4.049 -0.218 No H/Q in entry = 6 In of MODEL 19 1 H LYS 70 H LYS 70 -18.356 -3.421 -1.272 2 HA LYS 70 HA LYS 70 -18.254 -6.345 -1.457 3 HB2 LYS 70 HB2 LYS 70 -18.205 -4.352 -3.722 4 HB3 LYS 70 HB3 LYS 70 -18.276 -6.097 -3.878 5 HG2 LYS 70 HG2 LYS 70 -20.464 -4.690 -2.417 6 HG3 LYS 70 HG3 LYS 70 -20.424 -4.627 -4.173 7 HD2 LYS 70 HD2 LYS 70 -21.817 -6.436 -3.633 8 HD3 LYS 70 HD3 LYS 70 -20.286 -7.158 -4.115 9 HE2 LYS 70 HE2 LYS 70 -19.711 -7.602 -1.842 10 HE3 LYS 70 HE3 LYS 70 -21.083 -6.658 -1.253 11 HZ1 LYS 70 HZ1 LYS 70 -21.251 -9.172 -2.834 12 HZ2 LYS 70 HZ2 LYS 70 -21.517 -9.043 -1.163 13 HZ3 LYS 70 HZ3 LYS 70 -22.568 -8.276 -2.250 No H/Q in entry = 13 In of MODEL 19 1 H ASP 71 H ASP 71 -16.250 -3.435 -1.811 2 HA ASP 71 HA ASP 71 -14.168 -5.083 -3.018 3 HB2 ASP 71 HB2 ASP 71 -14.186 -2.077 -2.678 4 HB3 ASP 71 HB3 ASP 71 -13.079 -3.025 -3.644 No H/Q in entry = 4 In of MODEL 19 1 H GLU 72 H GLU 72 -12.449 -5.722 -1.965 2 HA GLU 72 HA GLU 72 -11.758 -4.823 0.756 3 HB2 GLU 72 HB2 GLU 72 -11.986 -7.226 0.397 4 HB3 GLU 72 HB3 GLU 72 -10.875 -7.170 -0.960 5 HG2 GLU 72 HG2 GLU 72 -9.100 -6.410 0.701 6 HG3 GLU 72 HG3 GLU 72 -10.249 -6.851 1.962 No H/Q in entry = 6 In of MODEL 19 1 H TYR 73 H TYR 73 -9.600 -4.050 1.171 2 HA TYR 73 HA TYR 73 -8.029 -3.407 -1.243 3 HB2 TYR 73 HB2 TYR 73 -8.422 -1.726 1.247 4 HB3 TYR 73 HB3 TYR 73 -7.209 -1.383 0.026 5 HD1 TYR 73 HD1 TYR 73 -7.765 -0.138 -1.891 6 HD2 TYR 73 HD2 TYR 73 -10.869 -1.761 0.535 7 HE1 TYR 73 HE1 TYR 73 -9.439 1.108 -3.197 8 HE2 TYR 73 HE2 TYR 73 -12.544 -0.495 -0.776 9 HH TYR 73 HH TYR 73 -11.825 0.988 -3.736 No H/Q in entry = 9 In of MODEL 19 1 H ALA 74 H ALA 74 -5.948 -4.024 -1.299 2 HA ALA 74 HA ALA 74 -4.651 -4.946 1.178 3 HB1 ALA 74 HB1 ALA 74 -5.551 -6.908 0.070 4 HB2 ALA 74 HB2 ALA 74 -3.797 -6.899 -0.054 5 HB3 ALA 74 HB3 ALA 74 -4.779 -6.435 -1.445 No H/Q in entry = 5 In of MODEL 19 1 H CYS 75 H CYS 75 -2.266 -5.021 1.023 2 HA CYS 75 HA CYS 75 -1.209 -3.566 -1.324 3 HB2 CYS 75 HB2 CYS 75 -1.180 -2.053 0.537 4 HB3 CYS 75 HB3 CYS 75 -0.401 -3.253 1.561 No H/Q in entry = 4 In of MODEL 19 1 H ARG 76 H ARG 76 0.415 -4.541 -2.384 2 HA ARG 76 HA ARG 76 1.478 -7.076 -1.310 3 HB2 ARG 76 HB2 ARG 76 0.125 -6.853 -3.517 4 HB3 ARG 76 HB3 ARG 76 1.597 -6.146 -4.174 5 HG2 ARG 76 HG2 ARG 76 2.766 -8.195 -3.946 6 HG3 ARG 76 HG3 ARG 76 1.524 -8.881 -2.898 7 HD2 ARG 76 HD2 ARG 76 1.327 -9.850 -5.152 8 HD3 ARG 76 HD3 ARG 76 -0.076 -8.838 -4.794 9 HE ARG 76 HE ARG 76 2.046 -7.445 -6.168 10 HH11 ARG 76 HH11 ARG 76 -0.806 -9.446 -6.593 11 HH12 ARG 76 HH12 ARG 76 -1.118 -8.862 -8.204 12 HH21 ARG 76 HH21 ARG 76 1.658 -6.714 -8.291 13 HH22 ARG 76 HH22 ARG 76 0.280 -7.321 -9.169 No H/Q in entry = 13 In of MODEL 19 1 H VAL 77 H VAL 77 3.648 -7.166 -0.815 2 HA VAL 77 HA VAL 77 5.405 -5.309 -2.280 3 HB VAL 77 HB VAL 77 4.924 -4.605 0.168 4 HG11 VAL 77 HG11 VAL 77 5.266 -6.787 1.203 5 HG12 VAL 77 HG12 VAL 77 6.945 -6.790 0.658 6 HG13 VAL 77 HG13 VAL 77 6.402 -5.596 1.836 7 HG21 VAL 77 HG21 VAL 77 6.621 -3.601 -1.276 8 HG22 VAL 77 HG22 VAL 77 7.186 -3.724 0.392 9 HG23 VAL 77 HG23 VAL 77 7.758 -4.870 -0.822 No H/Q in entry = 9 In of MODEL 19 1 H ASN 78 H ASN 78 7.316 -5.991 -2.894 2 HA ASN 78 HA ASN 78 8.229 -8.658 -2.029 3 HB2 ASN 78 HB2 ASN 78 7.070 -8.806 -4.259 4 HB3 ASN 78 HB3 ASN 78 8.297 -7.723 -4.908 5 HD21 ASN 78 HD21 ASN 78 9.140 -9.189 -6.347 6 HD22 ASN 78 HD22 ASN 78 10.015 -10.598 -5.856 No H/Q in entry = 6 In of MODEL 19 1 H HIS 79 H HIS 79 10.341 -8.867 -1.728 2 HA HIS 79 HA HIS 79 12.130 -6.757 -2.685 3 HB2 HIS 79 HB2 HIS 79 11.645 -6.377 -0.259 4 HB3 HIS 79 HB3 HIS 79 12.222 -7.990 0.093 5 HD2 HIS 79 HD2 HIS 79 13.600 -4.453 -0.620 6 HE1 HIS 79 HE1 HIS 79 16.842 -7.042 0.186 7 HE2 HIS 79 HE2 HIS 79 16.106 -4.625 -0.001 No H/Q in entry = 7 In of MODEL 19 1 H VAL 80 H VAL 80 14.413 -7.547 -2.728 2 HA VAL 80 HA VAL 80 14.734 -9.893 -4.124 3 HB VAL 80 HB VAL 80 16.807 -8.622 -2.325 4 HG11 VAL 80 HG11 VAL 80 17.136 -10.482 -4.680 5 HG12 VAL 80 HG12 VAL 80 18.446 -9.662 -3.831 6 HG13 VAL 80 HG13 VAL 80 17.466 -10.862 -2.989 7 HG21 VAL 80 HG21 VAL 80 16.122 -8.122 -5.220 8 HG22 VAL 80 HG22 VAL 80 15.944 -6.995 -3.875 9 HG23 VAL 80 HG23 VAL 80 17.551 -7.491 -4.400 No H/Q in entry = 9 In of MODEL 19 1 H THR 81 H THR 81 14.703 -9.469 -0.620 2 HA THR 81 HA THR 81 15.854 -12.048 -0.084 3 HB THR 81 HB THR 81 16.169 -10.423 1.630 4 HG1 THR 81 HG1 THR 81 15.967 -12.366 2.595 5 HG21 THR 81 HG21 THR 81 13.155 -10.206 1.839 6 HG22 THR 81 HG22 THR 81 14.322 -9.418 2.903 7 HG23 THR 81 HG23 THR 81 14.245 -8.975 1.198 No H/Q in entry = 7 In of MODEL 19 1 H LEU 82 H LEU 82 12.494 -10.833 0.379 2 HA LEU 82 HA LEU 82 11.345 -13.160 1.249 3 HB2 LEU 82 HB2 LEU 82 9.969 -11.320 -0.700 4 HB3 LEU 82 HB3 LEU 82 9.224 -12.360 0.501 5 HG LEU 82 HG LEU 82 10.944 -9.992 1.177 6 HD11 LEU 82 HD11 LEU 82 7.971 -10.283 0.957 7 HD12 LEU 82 HD12 LEU 82 8.760 -8.974 1.833 8 HD13 LEU 82 HD13 LEU 82 9.025 -9.157 0.100 9 HD21 LEU 82 HD21 LEU 82 10.887 -11.727 2.900 10 HD22 LEU 82 HD22 LEU 82 10.014 -10.282 3.415 11 HD23 LEU 82 HD23 LEU 82 9.125 -11.702 2.862 No H/Q in entry = 11 In of MODEL 19 1 H SER 83 H SER 83 11.853 -12.186 -2.102 2 HA SER 83 HA SER 83 11.950 -13.338 -4.047 3 HB2 SER 83 HB2 SER 83 11.682 -15.859 -2.391 4 HB3 SER 83 HB3 SER 83 12.246 -15.747 -4.060 5 HG SER 83 HG SER 83 13.507 -14.524 -1.818 No H/Q in entry = 5 In of MODEL 19 1 H GLN 84 H GLN 84 9.448 -14.115 -1.767 2 HA GLN 84 HA GLN 84 7.523 -14.110 -3.987 3 HB2 GLN 84 HB2 GLN 84 6.055 -15.626 -2.676 4 HB3 GLN 84 HB3 GLN 84 7.577 -16.380 -3.118 5 HG2 GLN 84 HG2 GLN 84 8.386 -16.235 -0.873 6 HG3 GLN 84 HG3 GLN 84 7.081 -15.134 -0.415 7 HE21 GLN 84 HE21 GLN 84 5.078 -15.932 0.026 8 HE22 GLN 84 HE22 GLN 84 4.769 -17.619 0.255 No H/Q in entry = 8 In of MODEL 19 1 HA PRO 85 HA PRO 85 6.245 -10.528 -1.579 2 HB2 PRO 85 HB2 PRO 85 4.027 -9.865 -2.982 3 HB3 PRO 85 HB3 PRO 85 5.679 -9.401 -3.429 4 HG2 PRO 85 HG2 PRO 85 3.958 -11.602 -4.513 5 HG3 PRO 85 HG3 PRO 85 5.090 -10.531 -5.373 6 HD2 PRO 85 HD2 PRO 85 5.730 -13.132 -4.701 7 HD3 PRO 85 HD3 PRO 85 6.955 -11.824 -4.813 No H/Q in entry = 7 In of MODEL 19 1 H LYS 86 H LYS 86 4.582 -9.926 -0.180 2 HA LYS 86 HA LYS 86 2.473 -11.905 0.227 3 HB2 LYS 86 HB2 LYS 86 2.551 -10.912 2.681 4 HB3 LYS 86 HB3 LYS 86 3.440 -12.317 2.179 5 HG2 LYS 86 HG2 LYS 86 5.340 -11.431 2.792 6 HG3 LYS 86 HG3 LYS 86 5.091 -10.059 1.732 7 HD2 LYS 86 HD2 LYS 86 5.454 -9.104 3.810 8 HD3 LYS 86 HD3 LYS 86 3.698 -9.095 3.722 9 HE2 LYS 86 HE2 LYS 86 5.346 -11.246 5.082 10 HE3 LYS 86 HE3 LYS 86 4.631 -9.878 5.928 11 HZ1 LYS 86 HZ1 LYS 86 2.464 -10.807 4.798 12 HZ2 LYS 86 HZ2 LYS 86 3.351 -12.256 4.799 13 HZ3 LYS 86 HZ3 LYS 86 3.047 -11.440 6.255 No H/Q in entry = 13 In of MODEL 19 1 H ILE 87 H ILE 87 0.487 -11.228 0.981 2 HA ILE 87 HA ILE 87 -0.170 -8.463 0.193 3 HB ILE 87 HB ILE 87 -1.574 -10.964 -0.369 4 HG12 ILE 87 HG12 ILE 87 -1.021 -9.664 -2.239 5 HG13 ILE 87 HG13 ILE 87 -2.744 -9.338 -2.019 6 HG21 ILE 87 HG21 ILE 87 -3.156 -8.693 0.807 7 HG22 ILE 87 HG22 ILE 87 -3.864 -9.930 -0.239 8 HG23 ILE 87 HG23 ILE 87 -3.145 -10.386 1.309 9 HD11 ILE 87 HD11 ILE 87 -0.525 -7.563 -1.066 10 HD12 ILE 87 HD12 ILE 87 -1.485 -7.329 -2.524 11 HD13 ILE 87 HD13 ILE 87 -2.256 -7.255 -0.945 No H/Q in entry = 11 In of MODEL 19 1 H VAL 88 H VAL 88 -1.032 -7.087 1.584 2 HA VAL 88 HA VAL 88 -1.928 -8.121 4.192 3 HB VAL 88 HB VAL 88 0.087 -6.777 4.439 4 HG11 VAL 88 HG11 VAL 88 -1.413 -4.580 3.059 5 HG12 VAL 88 HG12 VAL 88 0.148 -4.408 3.863 6 HG13 VAL 88 HG13 VAL 88 -0.002 -5.444 2.439 7 HG21 VAL 88 HG21 VAL 88 -2.459 -5.523 5.390 8 HG22 VAL 88 HG22 VAL 88 -1.366 -6.584 6.277 9 HG23 VAL 88 HG23 VAL 88 -0.875 -4.928 5.896 No H/Q in entry = 9 In of MODEL 19 1 H LYS 89 H LYS 89 -4.091 -7.822 4.502 2 HA LYS 89 HA LYS 89 -5.383 -5.924 2.690 3 HB2 LYS 89 HB2 LYS 89 -6.710 -8.210 4.141 4 HB3 LYS 89 HB3 LYS 89 -7.384 -7.214 2.858 5 HG2 LYS 89 HG2 LYS 89 -6.113 -8.227 1.224 6 HG3 LYS 89 HG3 LYS 89 -4.934 -8.821 2.389 7 HD2 LYS 89 HD2 LYS 89 -7.791 -9.748 2.294 8 HD3 LYS 89 HD3 LYS 89 -6.473 -10.578 1.459 9 HE2 LYS 89 HE2 LYS 89 -5.356 -10.831 3.686 10 HE3 LYS 89 HE3 LYS 89 -6.811 -10.160 4.429 11 HZ1 LYS 89 HZ1 LYS 89 -8.065 -11.996 3.357 12 HZ2 LYS 89 HZ2 LYS 89 -6.590 -12.676 2.867 13 HZ3 LYS 89 HZ3 LYS 89 -6.943 -12.518 4.519 No H/Q in entry = 13 In of MODEL 19 1 H TRP 90 H TRP 90 -6.933 -4.530 3.471 2 HA TRP 90 HA TRP 90 -6.423 -3.716 6.192 3 HB2 TRP 90 HB2 TRP 90 -6.496 -2.009 4.411 4 HB3 TRP 90 HB3 TRP 90 -8.162 -2.456 4.066 5 HD1 TRP 90 HD1 TRP 90 -6.529 -1.515 7.504 6 HE1 TRP 90 HE1 TRP 90 -7.899 0.346 8.539 7 HE3 TRP 90 HE3 TRP 90 -9.890 -0.777 3.673 8 HZ2 TRP 90 HZ2 TRP 90 -10.171 1.904 7.887 9 HZ3 TRP 90 HZ3 TRP 90 -11.620 0.934 3.964 10 HH2 TRP 90 HH2 TRP 90 -11.766 2.260 6.005 No H/Q in entry = 10 In of MODEL 19 1 H ASP 91 H ASP 91 -7.585 -4.200 7.870 2 HA ASP 91 HA ASP 91 -9.718 -6.084 7.648 3 HB2 ASP 91 HB2 ASP 91 -9.782 -5.867 10.169 4 HB3 ASP 91 HB3 ASP 91 -8.225 -6.356 9.501 No H/Q in entry = 4 In of MODEL 19 1 H ARG 92 H ARG 92 -11.640 -5.486 6.968 2 HA ARG 92 HA ARG 92 -13.417 -3.983 8.416 3 HB2 ARG 92 HB2 ARG 92 -13.476 -1.807 7.548 4 HB3 ARG 92 HB3 ARG 92 -11.751 -2.148 7.564 5 HG2 ARG 92 HG2 ARG 92 -11.967 -1.223 5.485 6 HG3 ARG 92 HG3 ARG 92 -12.121 -2.939 5.095 7 HD2 ARG 92 HD2 ARG 92 -14.602 -2.655 5.160 8 HD3 ARG 92 HD3 ARG 92 -14.360 -0.915 5.368 9 HE ARG 92 HE ARG 92 -12.946 -1.484 3.139 10 HH11 ARG 92 HH11 ARG 92 -16.244 -2.064 4.155 11 HH12 ARG 92 HH12 ARG 92 -16.854 -2.159 2.531 12 HH21 ARG 92 HH21 ARG 92 -13.767 -1.591 0.999 13 HH22 ARG 92 HH22 ARG 92 -15.456 -1.907 0.755 No H/Q in entry = 13 In of MODEL 19 1 H ASP 93 H ASP 93 -12.505 -5.786 5.814 2 HA ASP 93 HA ASP 93 -15.176 -6.204 4.859 3 HB2 ASP 93 HB2 ASP 93 -14.414 -4.178 3.586 4 HB3 ASP 93 HB3 ASP 93 -13.126 -5.159 2.895 No H/Q in entry = 4 In of MODEL 19 1 HA MET 94 HA MET 94 -11.613 -9.120 3.390 2 HB2 MET 94 HB2 MET 94 -10.282 -10.227 5.520 3 HB3 MET 94 HB3 MET 94 -9.623 -9.031 4.413 4 HG2 MET 94 HG2 MET 94 -9.264 -8.549 6.853 5 HG3 MET 94 HG3 MET 94 -10.017 -7.233 5.947 6 HE1 MET 94 HE1 MET 94 -11.324 -10.579 7.657 7 HE2 MET 94 HE2 MET 94 -10.246 -9.800 8.816 8 HE3 MET 94 HE3 MET 94 -11.975 -9.905 9.150 No H/Q in entry = 8 In of MODEL 20 1 HA MET 1 HA MET 1 5.710 -7.899 6.407 2 HB2 MET 1 HB2 MET 1 5.455 -8.918 8.686 3 HB3 MET 1 HB3 MET 1 4.693 -7.426 9.222 4 HG2 MET 1 HG2 MET 1 2.903 -7.757 7.591 5 HG3 MET 1 HG3 MET 1 3.664 -9.254 7.059 6 HE1 MET 1 HE1 MET 1 4.724 -10.360 9.891 7 HE2 MET 1 HE2 MET 1 3.395 -11.426 10.350 8 HE3 MET 1 HE3 MET 1 3.966 -11.397 8.681 No H/Q in entry = 8 In of MODEL 20 1 H ILE 2 H ILE 2 3.718 -6.943 5.661 2 HA ILE 2 HA ILE 2 3.891 -4.046 5.688 3 HB ILE 2 HB ILE 2 1.711 -5.433 4.191 4 HG12 ILE 2 HG12 ILE 2 4.482 -5.456 3.020 5 HG13 ILE 2 HG13 ILE 2 3.868 -6.820 3.952 6 HG21 ILE 2 HG21 ILE 2 2.067 -2.992 4.058 7 HG22 ILE 2 HG22 ILE 2 3.649 -3.290 3.322 8 HG23 ILE 2 HG23 ILE 2 2.182 -3.799 2.495 9 HD11 ILE 2 HD11 ILE 2 1.976 -7.005 2.384 10 HD12 ILE 2 HD12 ILE 2 2.668 -5.695 1.429 11 HD13 ILE 2 HD13 ILE 2 3.540 -7.222 1.597 No H/Q in entry = 11 In of MODEL 20 1 H GLN 3 H GLN 3 2.529 -2.765 6.805 2 HA GLN 3 HA GLN 3 0.016 -3.956 7.778 3 HB2 GLN 3 HB2 GLN 3 1.796 -1.944 9.171 4 HB3 GLN 3 HB3 GLN 3 0.194 -2.427 9.743 5 HG2 GLN 3 HG2 GLN 3 0.970 -4.739 10.015 6 HG3 GLN 3 HG3 GLN 3 2.584 -4.257 9.429 7 HE21 GLN 3 HE21 GLN 3 2.414 -1.665 10.857 8 HE22 GLN 3 HE22 GLN 3 2.684 -2.037 12.526 No H/Q in entry = 8 In of MODEL 20 1 H VAL 4 H VAL 4 -1.589 -3.113 6.604 2 HA VAL 4 HA VAL 4 -1.322 -0.425 5.527 3 HB VAL 4 HB VAL 4 -3.589 -0.989 4.424 4 HG11 VAL 4 HG11 VAL 4 -1.448 -1.001 3.235 5 HG12 VAL 4 HG12 VAL 4 -1.173 -2.666 3.745 6 HG13 VAL 4 HG13 VAL 4 -2.515 -2.283 2.667 7 HG21 VAL 4 HG21 VAL 4 -4.124 -2.843 5.958 8 HG22 VAL 4 HG22 VAL 4 -4.157 -3.326 4.260 9 HG23 VAL 4 HG23 VAL 4 -2.785 -3.764 5.277 No H/Q in entry = 9 In of MODEL 20 1 H TYR 5 H TYR 5 -2.892 1.160 5.722 2 HA TYR 5 HA TYR 5 -4.929 1.026 7.759 3 HB2 TYR 5 HB2 TYR 5 -2.426 2.673 8.127 4 HB3 TYR 5 HB3 TYR 5 -3.947 3.133 8.882 5 HD1 TYR 5 HD1 TYR 5 -5.076 0.788 10.009 6 HD2 TYR 5 HD2 TYR 5 -0.943 1.741 9.627 7 HE1 TYR 5 HE1 TYR 5 -4.560 -0.717 11.898 8 HE2 TYR 5 HE2 TYR 5 -0.418 0.239 11.511 9 HH TYR 5 HH TYR 5 -2.709 -1.967 12.791 No H/Q in entry = 9 In of MODEL 20 1 H SER 6 H SER 6 -5.745 3.477 8.010 2 HA SER 6 HA SER 6 -5.475 4.868 5.430 3 HB2 SER 6 HB2 SER 6 -7.892 5.259 5.358 4 HB3 SER 6 HB3 SER 6 -7.663 3.501 5.558 5 HG SER 6 HG SER 6 -9.062 5.102 7.098 No H/Q in entry = 5 In of MODEL 20 1 H ARG 7 H ARG 7 -6.037 7.152 5.560 2 HA ARG 7 HA ARG 7 -5.138 8.257 8.091 3 HB2 ARG 7 HB2 ARG 7 -4.775 8.983 5.436 4 HB3 ARG 7 HB3 ARG 7 -5.893 10.199 6.046 5 HG2 ARG 7 HG2 ARG 7 -3.266 9.488 7.342 6 HG3 ARG 7 HG3 ARG 7 -3.503 10.838 6.234 7 HD2 ARG 7 HD2 ARG 7 -5.172 10.542 8.708 8 HD3 ARG 7 HD3 ARG 7 -3.578 11.296 8.766 9 HE ARG 7 HE ARG 7 -4.647 12.734 6.850 10 HH11 ARG 7 HH11 ARG 7 -6.231 11.584 9.757 11 HH12 ARG 7 HH12 ARG 7 -7.244 12.987 9.922 12 HH21 ARG 7 HH21 ARG 7 -5.913 14.611 7.103 13 HH22 ARG 7 HH22 ARG 7 -7.033 14.728 8.430 No H/Q in entry = 13 In of MODEL 20 1 H HIS 8 H HIS 8 -8.085 7.587 6.620 2 HA HIS 8 HA HIS 8 -9.512 9.355 8.472 3 HB2 HIS 8 HB2 HIS 8 -10.192 8.972 5.544 4 HB3 HIS 8 HB3 HIS 8 -11.183 9.840 6.708 5 HD2 HIS 8 HD2 HIS 8 -9.831 12.209 7.766 6 HE1 HIS 8 HE1 HIS 8 -7.591 12.615 4.199 7 HE2 HIS 8 HE2 HIS 8 -8.512 13.829 6.226 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 9 HA PRO 9 -11.997 5.751 9.360 2 HB2 PRO 9 HB2 PRO 9 -14.353 7.549 9.335 3 HB3 PRO 9 HB3 PRO 9 -13.729 6.522 10.640 4 HG2 PRO 9 HG2 PRO 9 -13.454 9.204 10.730 5 HG3 PRO 9 HG3 PRO 9 -12.155 8.128 11.299 6 HD2 PRO 9 HD2 PRO 9 -12.400 9.601 8.698 7 HD3 PRO 9 HD3 PRO 9 -10.972 9.425 9.747 No H/Q in entry = 7 In of MODEL 20 1 H ALA 10 H ALA 10 -13.106 4.263 8.178 2 HA ALA 10 HA ALA 10 -13.449 4.623 5.412 3 HB1 ALA 10 HB1 ALA 10 -14.367 2.341 5.443 4 HB2 ALA 10 HB2 ALA 10 -12.925 2.458 6.449 5 HB3 ALA 10 HB3 ALA 10 -14.520 2.426 7.195 No H/Q in entry = 5 In of MODEL 20 1 H GLU 11 H GLU 11 -15.010 6.028 4.599 2 HA GLU 11 HA GLU 11 -17.775 5.462 5.490 3 HB2 GLU 11 HB2 GLU 11 -16.515 7.929 4.359 4 HB3 GLU 11 HB3 GLU 11 -18.214 7.646 4.030 5 HG2 GLU 11 HG2 GLU 11 -18.262 9.016 5.875 6 HG3 GLU 11 HG3 GLU 11 -18.432 7.436 6.604 No H/Q in entry = 6 In of MODEL 20 1 H ASN 12 H ASN 12 -18.717 3.970 4.220 2 HA ASN 12 HA ASN 12 -18.111 3.198 1.654 3 HB2 ASN 12 HB2 ASN 12 -20.655 3.134 3.307 4 HB3 ASN 12 HB3 ASN 12 -20.663 2.458 1.687 5 HD21 ASN 12 HD21 ASN 12 -21.212 1.022 3.990 6 HD22 ASN 12 HD22 ASN 12 -19.969 -0.166 4.210 No H/Q in entry = 6 In of MODEL 20 1 H GLY 13 H GLY 13 -17.719 4.735 0.123 2 HA2 GLY 13 HA2 GLY 13 -20.011 6.453 -0.664 3 HA3 GLY 13 HA3 GLY 13 -18.968 5.653 -1.830 No H/Q in entry = 3 In of MODEL 20 1 H LYS 14 H LYS 14 -16.963 6.702 0.616 2 HA LYS 14 HA LYS 14 -16.525 9.276 -0.815 3 HB2 LYS 14 HB2 LYS 14 -15.176 8.529 1.763 4 HB3 LYS 14 HB3 LYS 14 -15.457 10.126 1.099 5 HG2 LYS 14 HG2 LYS 14 -17.514 8.298 2.308 6 HG3 LYS 14 HG3 LYS 14 -16.817 9.738 3.038 7 HD2 LYS 14 HD2 LYS 14 -18.508 9.687 0.551 8 HD3 LYS 14 HD3 LYS 14 -19.069 10.115 2.177 9 HE2 LYS 14 HE2 LYS 14 -16.972 11.579 0.553 10 HE3 LYS 14 HE3 LYS 14 -18.623 12.116 0.839 11 HZ1 LYS 14 HZ1 LYS 14 -16.691 11.640 3.042 12 HZ2 LYS 14 HZ2 LYS 14 -16.879 13.149 2.289 13 HZ3 LYS 14 HZ3 LYS 14 -18.180 12.444 3.113 No H/Q in entry = 13 In of MODEL 20 1 H SER 15 H SER 15 -14.367 9.938 -1.294 2 HA SER 15 HA SER 15 -12.476 7.703 -1.442 3 HB2 SER 15 HB2 SER 15 -12.936 9.026 -3.591 4 HB3 SER 15 HB3 SER 15 -11.989 10.303 -2.842 5 HG SER 15 HG SER 15 -11.012 8.435 -4.224 No H/Q in entry = 5 In of MODEL 20 1 H ASN 16 H ASN 16 -10.375 8.000 -0.822 2 HA ASN 16 HA ASN 16 -9.589 10.209 0.845 3 HB2 ASN 16 HB2 ASN 16 -9.706 7.431 2.075 4 HB3 ASN 16 HB3 ASN 16 -9.163 8.907 2.852 5 HD21 ASN 16 HD21 ASN 16 -10.610 10.139 3.905 6 HD22 ASN 16 HD22 ASN 16 -12.310 9.815 3.971 No H/Q in entry = 6 In of MODEL 20 1 H PHE 17 H PHE 17 -7.609 8.043 2.003 2 HA PHE 17 HA PHE 17 -6.208 7.413 -0.479 3 HB2 PHE 17 HB2 PHE 17 -5.151 9.059 1.797 4 HB3 PHE 17 HB3 PHE 17 -4.056 8.151 0.757 5 HD1 PHE 17 HD1 PHE 17 -4.671 11.286 1.275 6 HD2 PHE 17 HD2 PHE 17 -5.430 8.489 -1.840 7 HE1 PHE 17 HE1 PHE 17 -4.714 13.125 -0.363 8 HE2 PHE 17 HE2 PHE 17 -5.466 10.317 -3.489 9 HZ PHE 17 HZ PHE 17 -5.107 12.642 -2.746 No H/Q in entry = 9 In of MODEL 20 1 H LEU 18 H LEU 18 -5.393 5.377 -0.476 2 HA LEU 18 HA LEU 18 -5.577 3.869 2.013 3 HB2 LEU 18 HB2 LEU 18 -6.406 2.667 0.146 4 HB3 LEU 18 HB3 LEU 18 -4.991 3.042 -0.815 5 HG LEU 18 HG LEU 18 -3.623 1.500 0.499 6 HD11 LEU 18 HD11 LEU 18 -6.116 1.025 2.134 7 HD12 LEU 18 HD12 LEU 18 -4.645 0.058 2.215 8 HD13 LEU 18 HD13 LEU 18 -4.610 1.754 2.692 9 HD21 LEU 18 HD21 LEU 18 -6.244 0.306 -0.399 10 HD22 LEU 18 HD22 LEU 18 -4.793 0.538 -1.372 11 HD23 LEU 18 HD23 LEU 18 -4.786 -0.616 -0.041 No H/Q in entry = 11 In of MODEL 20 1 H ASN 19 H ASN 19 -3.981 3.507 3.325 2 HA ASN 19 HA ASN 19 -1.277 4.325 2.473 3 HB2 ASN 19 HB2 ASN 19 -1.522 5.710 4.267 4 HB3 ASN 19 HB3 ASN 19 -2.800 4.728 4.981 5 HD21 ASN 19 HD21 ASN 19 0.544 5.461 4.928 6 HD22 ASN 19 HD22 ASN 19 1.005 4.434 6.238 No H/Q in entry = 6 In of MODEL 20 1 H CYS 20 H CYS 20 0.153 2.767 2.124 2 HA CYS 20 HA CYS 20 -0.015 0.299 3.732 3 HB2 CYS 20 HB2 CYS 20 -0.388 -0.322 1.477 4 HB3 CYS 20 HB3 CYS 20 0.796 0.832 0.854 No H/Q in entry = 4 In of MODEL 20 1 H TYR 21 H TYR 21 1.587 0.303 5.249 2 HA TYR 21 HA TYR 21 4.003 1.875 4.789 3 HB2 TYR 21 HB2 TYR 21 3.261 0.172 7.175 4 HB3 TYR 21 HB3 TYR 21 4.656 1.217 7.067 5 HD1 TYR 21 HD1 TYR 21 1.200 0.971 7.962 6 HD2 TYR 21 HD2 TYR 21 4.272 3.719 6.928 7 HE1 TYR 21 HE1 TYR 21 -0.079 2.784 9.019 8 HE2 TYR 21 HE2 TYR 21 3.004 5.547 7.978 9 HH TYR 21 HH TYR 21 0.264 4.967 9.965 No H/Q in entry = 9 In of MODEL 20 1 H VAL 22 H VAL 22 5.914 1.028 4.194 2 HA VAL 22 HA VAL 22 6.269 -1.884 4.466 3 HB VAL 22 HB VAL 22 7.426 -0.165 2.230 4 HG11 VAL 22 HG11 VAL 22 8.727 -2.181 2.869 5 HG12 VAL 22 HG12 VAL 22 7.312 -3.172 2.507 6 HG13 VAL 22 HG13 VAL 22 8.096 -2.251 1.223 7 HG21 VAL 22 HG21 VAL 22 5.062 -2.049 2.167 8 HG22 VAL 22 HG22 VAL 22 5.038 -0.303 1.908 9 HG23 VAL 22 HG23 VAL 22 5.840 -1.357 0.741 No H/Q in entry = 9 In of MODEL 20 1 H SER 23 H SER 23 7.641 -2.026 6.183 2 HA SER 23 HA SER 23 9.500 0.215 6.614 3 HB2 SER 23 HB2 SER 23 9.090 -0.333 9.080 4 HB3 SER 23 HB3 SER 23 7.728 0.329 8.184 5 HG SER 23 HG SER 23 8.194 -2.404 8.805 No H/Q in entry = 5 In of MODEL 20 1 H GLY 24 H GLY 24 11.588 -0.115 7.268 2 HA2 GLY 24 HA2 GLY 24 12.523 -2.804 7.970 3 HA3 GLY 24 HA3 GLY 24 13.465 -1.319 8.054 No H/Q in entry = 3 In of MODEL 20 1 H PHE 25 H PHE 25 12.050 -1.141 5.181 2 HA PHE 25 HA PHE 25 14.158 -2.684 3.814 3 HB2 PHE 25 HB2 PHE 25 11.560 -1.750 2.615 4 HB3 PHE 25 HB3 PHE 25 12.693 -2.923 1.954 5 HD1 PHE 25 HD1 PHE 25 9.833 -2.446 4.088 6 HD2 PHE 25 HD2 PHE 25 12.976 -5.155 3.123 7 HE1 PHE 25 HE1 PHE 25 8.558 -4.287 5.137 8 HE2 PHE 25 HE2 PHE 25 11.703 -7.002 4.161 9 HZ PHE 25 HZ PHE 25 9.482 -6.554 5.131 No H/Q in entry = 9 In of MODEL 20 1 H HIS 26 H HIS 26 15.151 -1.804 1.967 2 HA HIS 26 HA HIS 26 15.195 1.119 1.903 3 HB2 HIS 26 HB2 HIS 26 17.067 -0.925 0.693 4 HB3 HIS 26 HB3 HIS 26 17.249 0.822 0.519 5 HD2 HIS 26 HD2 HIS 26 16.501 1.363 3.777 6 HE1 HIS 26 HE1 HIS 26 20.133 -0.746 4.275 7 HE2 HIS 26 HE2 HIS 26 18.319 0.584 5.451 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 27 HA PRO 27 12.393 1.224 -1.367 2 HB2 PRO 27 HB2 PRO 27 13.601 3.762 -2.243 3 HB3 PRO 27 HB3 PRO 27 11.986 3.455 -1.595 4 HG2 PRO 27 HG2 PRO 27 13.876 4.732 -0.173 5 HG3 PRO 27 HG3 PRO 27 12.684 3.663 0.592 6 HD2 PRO 27 HD2 PRO 27 15.564 3.140 -0.078 7 HD3 PRO 27 HD3 PRO 27 14.632 2.662 1.359 No H/Q in entry = 7 In of MODEL 20 1 H SER 28 H SER 28 15.674 0.953 -2.131 2 HA SER 28 HA SER 28 15.392 1.574 -4.923 3 HB2 SER 28 HB2 SER 28 17.497 2.108 -3.932 4 HB3 SER 28 HB3 SER 28 17.699 0.467 -3.316 5 HG SER 28 HG SER 28 17.916 1.436 -5.956 No H/Q in entry = 5 In of MODEL 20 1 H ASP 29 H ASP 29 15.801 -1.466 -3.055 2 HA ASP 29 HA ASP 29 15.591 -2.933 -5.589 3 HB2 ASP 29 HB2 ASP 29 16.372 -4.064 -2.903 4 HB3 ASP 29 HB3 ASP 29 16.608 -4.790 -4.487 No H/Q in entry = 4 In of MODEL 20 1 H ILE 30 H ILE 30 13.100 -1.913 -4.208 2 HA ILE 30 HA ILE 30 11.912 -4.577 -3.818 3 HB ILE 30 HB ILE 30 10.932 -4.119 -1.849 4 HG12 ILE 30 HG12 ILE 30 10.743 -1.159 -2.459 5 HG13 ILE 30 HG13 ILE 30 9.475 -2.345 -2.751 6 HG21 ILE 30 HG21 ILE 30 13.115 -2.046 -1.812 7 HG22 ILE 30 HG22 ILE 30 12.273 -2.644 -0.384 8 HG23 ILE 30 HG23 ILE 30 13.251 -3.740 -1.355 9 HD11 ILE 30 HD11 ILE 30 9.521 -2.899 -0.327 10 HD12 ILE 30 HD12 ILE 30 10.623 -1.541 -0.098 11 HD13 ILE 30 HD13 ILE 30 8.985 -1.253 -0.695 No H/Q in entry = 11 In of MODEL 20 1 H GLU 31 H GLU 31 9.539 -4.645 -3.978 2 HA GLU 31 HA GLU 31 8.422 -2.567 -5.732 3 HB2 GLU 31 HB2 GLU 31 8.606 -5.495 -6.214 4 HB3 GLU 31 HB3 GLU 31 7.127 -4.669 -6.703 5 HG2 GLU 31 HG2 GLU 31 9.889 -3.791 -7.554 6 HG3 GLU 31 HG3 GLU 31 8.802 -4.794 -8.513 No H/Q in entry = 6 In of MODEL 20 1 H VAL 32 H VAL 32 6.552 -1.858 -5.061 2 HA VAL 32 HA VAL 32 4.816 -3.518 -3.371 3 HB VAL 32 HB VAL 32 5.481 -2.411 -1.505 4 HG11 VAL 32 HG11 VAL 32 7.430 -1.484 -2.669 5 HG12 VAL 32 HG12 VAL 32 6.456 -0.118 -3.211 6 HG13 VAL 32 HG13 VAL 32 6.770 -0.354 -1.491 7 HG21 VAL 32 HG21 VAL 32 3.256 -1.460 -1.867 8 HG22 VAL 32 HG22 VAL 32 4.324 -0.340 -1.020 9 HG23 VAL 32 HG23 VAL 32 3.977 -0.102 -2.732 No H/Q in entry = 9 In of MODEL 20 1 H ASP 33 H ASP 33 2.661 -3.301 -3.803 2 HA ASP 33 HA ASP 33 1.805 -0.991 -5.409 3 HB2 ASP 33 HB2 ASP 33 1.207 -3.908 -6.101 4 HB3 ASP 33 HB3 ASP 33 0.374 -2.527 -6.819 No H/Q in entry = 4 In of MODEL 20 1 H LEU 34 H LEU 34 -0.581 -0.798 -5.424 2 HA LEU 34 HA LEU 34 -1.742 -1.788 -2.897 3 HB2 LEU 34 HB2 LEU 34 -2.060 0.783 -4.383 4 HB3 LEU 34 HB3 LEU 34 -3.430 0.191 -3.466 5 HG LEU 34 HG LEU 34 -1.960 0.135 -1.426 6 HD11 LEU 34 HD11 LEU 34 0.216 0.054 -2.511 7 HD12 LEU 34 HD12 LEU 34 -0.041 1.675 -3.163 8 HD13 LEU 34 HD13 LEU 34 0.095 1.431 -1.420 9 HD21 LEU 34 HD21 LEU 34 -3.510 1.966 -1.824 10 HD22 LEU 34 HD22 LEU 34 -2.041 2.532 -1.031 11 HD23 LEU 34 HD23 LEU 34 -2.277 2.817 -2.753 No H/Q in entry = 11 In of MODEL 20 1 H LEU 35 H LEU 35 -3.494 -3.113 -3.023 2 HA LEU 35 HA LEU 35 -4.512 -3.694 -5.733 3 HB2 LEU 35 HB2 LEU 35 -4.119 -5.662 -3.484 4 HB3 LEU 35 HB3 LEU 35 -4.648 -6.020 -5.111 5 HG LEU 35 HG LEU 35 -1.895 -5.367 -4.119 6 HD11 LEU 35 HD11 LEU 35 -3.149 -7.512 -5.827 7 HD12 LEU 35 HD12 LEU 35 -1.418 -7.363 -5.557 8 HD13 LEU 35 HD13 LEU 35 -2.500 -7.684 -4.195 9 HD21 LEU 35 HD21 LEU 35 -2.402 -3.882 -6.100 10 HD22 LEU 35 HD22 LEU 35 -1.071 -5.018 -6.322 11 HD23 LEU 35 HD23 LEU 35 -2.643 -5.351 -7.041 No H/Q in entry = 11 In of MODEL 20 1 H LYS 36 H LYS 36 -6.529 -4.902 -5.794 2 HA LYS 36 HA LYS 36 -8.298 -4.675 -3.449 3 HB2 LYS 36 HB2 LYS 36 -9.459 -5.021 -6.179 4 HB3 LYS 36 HB3 LYS 36 -10.131 -4.159 -4.783 5 HG2 LYS 36 HG2 LYS 36 -8.613 -2.298 -5.235 6 HG3 LYS 36 HG3 LYS 36 -7.877 -3.177 -6.567 7 HD2 LYS 36 HD2 LYS 36 -9.454 -1.471 -7.377 8 HD3 LYS 36 HD3 LYS 36 -9.958 -3.099 -7.850 9 HE2 LYS 36 HE2 LYS 36 -11.859 -1.655 -7.101 10 HE3 LYS 36 HE3 LYS 36 -11.672 -3.082 -6.081 11 HZ1 LYS 36 HZ1 LYS 36 -10.391 -1.591 -4.534 12 HZ2 LYS 36 HZ2 LYS 36 -10.903 -0.282 -5.480 13 HZ3 LYS 36 HZ3 LYS 36 -12.040 -1.238 -4.678 No H/Q in entry = 13 In of MODEL 20 1 H ASN 37 H ASN 37 -8.349 -6.751 -2.642 2 HA ASN 37 HA ASN 37 -8.035 -9.025 -2.624 3 HB2 ASN 37 HB2 ASN 37 -9.926 -10.152 -4.023 4 HB3 ASN 37 HB3 ASN 37 -10.367 -9.092 -2.692 5 HD21 ASN 37 HD21 ASN 37 -10.918 -6.894 -3.238 6 HD22 ASN 37 HD22 ASN 37 -11.692 -6.543 -4.742 No H/Q in entry = 6 In of MODEL 20 1 H GLY 38 H GLY 38 -5.999 -8.242 -3.967 2 HA2 GLY 38 HA2 GLY 38 -5.532 -10.363 -5.810 3 HA3 GLY 38 HA3 GLY 38 -4.373 -9.144 -5.337 No H/Q in entry = 3 In of MODEL 20 1 H GLU 39 H GLU 39 -6.259 -6.949 -6.279 2 HA GLU 39 HA GLU 39 -5.680 -7.299 -9.137 3 HB2 GLU 39 HB2 GLU 39 -8.140 -7.602 -8.628 4 HB3 GLU 39 HB3 GLU 39 -8.170 -5.922 -8.104 5 HG2 GLU 39 HG2 GLU 39 -8.992 -6.124 -10.385 6 HG3 GLU 39 HG3 GLU 39 -7.477 -5.212 -10.343 No H/Q in entry = 6 In of MODEL 20 1 H ARG 40 H ARG 40 -4.309 -5.823 -9.775 2 HA ARG 40 HA ARG 40 -3.339 -3.709 -8.252 3 HB2 ARG 40 HB2 ARG 40 -2.557 -4.934 -10.534 4 HB3 ARG 40 HB3 ARG 40 -3.224 -3.470 -11.235 5 HG2 ARG 40 HG2 ARG 40 -1.691 -2.130 -9.866 6 HG3 ARG 40 HG3 ARG 40 -1.031 -3.610 -9.177 7 HD2 ARG 40 HD2 ARG 40 0.465 -2.860 -10.886 8 HD3 ARG 40 HD3 ARG 40 -0.327 -4.313 -11.482 9 HE ARG 40 HE ARG 40 -1.572 -1.836 -12.305 10 HH11 ARG 40 HH11 ARG 40 0.851 -4.267 -13.033 11 HH12 ARG 40 HH12 ARG 40 0.919 -3.872 -14.725 12 HH21 ARG 40 HH21 ARG 40 -1.516 -1.345 -14.536 13 HH22 ARG 40 HH22 ARG 40 -0.452 -2.241 -15.590 No H/Q in entry = 13 In of MODEL 20 1 H ILE 41 H ILE 41 -4.259 -1.910 -7.620 2 HA ILE 41 HA ILE 41 -6.721 -0.935 -8.550 3 HB ILE 41 HB ILE 41 -4.615 0.441 -6.881 4 HG12 ILE 41 HG12 ILE 41 -7.097 -1.090 -6.106 5 HG13 ILE 41 HG13 ILE 41 -5.452 -1.690 -5.964 6 HG21 ILE 41 HG21 ILE 41 -7.516 1.159 -7.328 7 HG22 ILE 41 HG22 ILE 41 -6.505 1.836 -6.052 8 HG23 ILE 41 HG23 ILE 41 -6.107 2.130 -7.740 9 HD11 ILE 41 HD11 ILE 41 -6.273 0.807 -4.557 10 HD12 ILE 41 HD12 ILE 41 -6.643 -0.787 -3.893 11 HD13 ILE 41 HD13 ILE 41 -4.961 -0.326 -4.190 No H/Q in entry = 11 In of MODEL 20 1 H GLU 42 H GLU 42 -3.801 1.092 -8.531 2 HA GLU 42 HA GLU 42 -2.495 1.176 -10.653 3 HB2 GLU 42 HB2 GLU 42 -5.209 1.872 -11.782 4 HB3 GLU 42 HB3 GLU 42 -3.692 2.198 -12.607 5 HG2 GLU 42 HG2 GLU 42 -4.254 -0.589 -11.697 6 HG3 GLU 42 HG3 GLU 42 -5.039 0.043 -13.137 No H/Q in entry = 6 In of MODEL 20 1 H LYS 43 H LYS 43 -4.918 3.321 -9.178 2 HA LYS 43 HA LYS 43 -3.625 5.691 -10.189 3 HB2 LYS 43 HB2 LYS 43 -5.567 5.659 -7.893 4 HB3 LYS 43 HB3 LYS 43 -5.314 6.909 -9.096 5 HG2 LYS 43 HG2 LYS 43 -6.765 4.284 -9.488 6 HG3 LYS 43 HG3 LYS 43 -7.461 5.906 -9.449 7 HD2 LYS 43 HD2 LYS 43 -5.428 5.040 -11.498 8 HD3 LYS 43 HD3 LYS 43 -7.168 4.875 -11.730 9 HE2 LYS 43 HE2 LYS 43 -5.745 7.477 -11.153 10 HE3 LYS 43 HE3 LYS 43 -6.252 6.937 -12.755 11 HZ1 LYS 43 HZ1 LYS 43 -8.556 6.854 -11.889 12 HZ2 LYS 43 HZ2 LYS 43 -8.011 7.548 -10.442 13 HZ3 LYS 43 HZ3 LYS 43 -7.899 8.419 -11.888 No H/Q in entry = 13 In of MODEL 20 1 H VAL 44 H VAL 44 -1.615 4.371 -8.997 2 HA VAL 44 HA VAL 44 -1.439 5.489 -6.286 3 HB VAL 44 HB VAL 44 -1.423 2.764 -6.839 4 HG11 VAL 44 HG11 VAL 44 0.827 2.898 -7.799 5 HG12 VAL 44 HG12 VAL 44 1.408 3.608 -6.293 6 HG13 VAL 44 HG13 VAL 44 0.799 1.952 -6.308 7 HG21 VAL 44 HG21 VAL 44 -0.272 4.231 -4.485 8 HG22 VAL 44 HG22 VAL 44 -1.955 3.753 -4.713 9 HG23 VAL 44 HG23 VAL 44 -0.707 2.522 -4.511 No H/Q in entry = 9 In of MODEL 20 1 H GLU 45 H GLU 45 0.236 6.803 -5.995 2 HA GLU 45 HA GLU 45 2.497 6.602 -7.819 3 HB2 GLU 45 HB2 GLU 45 0.618 8.920 -7.733 4 HB3 GLU 45 HB3 GLU 45 2.320 9.199 -8.071 5 HG2 GLU 45 HG2 GLU 45 0.499 7.381 -9.631 6 HG3 GLU 45 HG3 GLU 45 1.010 8.999 -10.115 No H/Q in entry = 6 In of MODEL 20 1 H HIS 46 H HIS 46 4.088 6.349 -6.465 2 HA HIS 46 HA HIS 46 4.808 8.779 -5.015 3 HB2 HIS 46 HB2 HIS 46 4.189 7.286 -3.205 4 HB3 HIS 46 HB3 HIS 46 5.082 5.956 -3.931 5 HD2 HIS 46 HD2 HIS 46 6.195 9.565 -2.730 6 HE1 HIS 46 HE1 HIS 46 8.979 6.660 -1.442 7 HE2 HIS 46 HE2 HIS 46 8.511 9.145 -1.649 No H/Q in entry = 7 In of MODEL 20 1 H SER 47 H SER 47 6.712 9.469 -5.818 2 HA SER 47 HA SER 47 8.085 7.690 -7.618 3 HB2 SER 47 HB2 SER 47 9.394 9.816 -8.123 4 HB3 SER 47 HB3 SER 47 7.664 9.881 -8.459 5 HG SER 47 HG SER 47 9.076 10.997 -6.273 No H/Q in entry = 5 In of MODEL 20 1 H ASP 48 H ASP 48 9.881 6.707 -7.264 2 HA ASP 48 HA ASP 48 10.904 6.535 -4.632 3 HB2 ASP 48 HB2 ASP 48 12.480 4.902 -5.591 4 HB3 ASP 48 HB3 ASP 48 10.822 4.592 -6.097 No H/Q in entry = 4 In of MODEL 20 1 H LEU 49 H LEU 49 13.105 6.725 -4.055 2 HA LEU 49 HA LEU 49 14.222 9.271 -5.021 3 HB2 LEU 49 HB2 LEU 49 15.719 9.010 -2.942 4 HB3 LEU 49 HB3 LEU 49 14.009 9.362 -2.663 5 HG LEU 49 HG LEU 49 15.020 6.507 -2.607 6 HD11 LEU 49 HD11 LEU 49 15.096 8.403 -0.252 7 HD12 LEU 49 HD12 LEU 49 15.205 6.646 -0.146 8 HD13 LEU 49 HD13 LEU 49 16.463 7.554 -0.986 9 HD21 LEU 49 HD21 LEU 49 12.679 7.906 -1.318 10 HD22 LEU 49 HD22 LEU 49 12.632 6.694 -2.603 11 HD23 LEU 49 HD23 LEU 49 13.146 6.244 -0.980 No H/Q in entry = 11 In of MODEL 20 1 H SER 50 H SER 50 16.890 9.007 -4.386 2 HA SER 50 HA SER 50 17.647 7.482 -6.730 3 HB2 SER 50 HB2 SER 50 19.360 9.162 -4.879 4 HB3 SER 50 HB3 SER 50 19.862 8.498 -6.435 5 HG SER 50 HG SER 50 17.606 9.803 -6.858 No H/Q in entry = 5 In of MODEL 20 1 H PHE 51 H PHE 51 18.620 7.571 -3.298 2 HA PHE 51 HA PHE 51 18.913 4.687 -3.291 3 HB2 PHE 51 HB2 PHE 51 21.241 6.559 -2.816 4 HB3 PHE 51 HB3 PHE 51 21.211 4.912 -2.196 5 HD1 PHE 51 HD1 PHE 51 21.022 3.014 -3.833 6 HD2 PHE 51 HD2 PHE 51 21.871 7.009 -5.029 7 HE1 PHE 51 HE1 PHE 51 21.886 2.183 -5.981 8 HE2 PHE 51 HE2 PHE 51 22.745 6.184 -7.178 9 HZ PHE 51 HZ PHE 51 22.749 3.769 -7.656 No H/Q in entry = 9 In of MODEL 20 1 H SER 52 H SER 52 19.357 3.918 -1.025 2 HA SER 52 HA SER 52 17.521 5.264 0.712 3 HB2 SER 52 HB2 SER 52 18.330 3.311 2.269 4 HB3 SER 52 HB3 SER 52 17.324 2.965 0.861 5 HG SER 52 HG SER 52 19.421 1.733 1.265 No H/Q in entry = 5 In of MODEL 20 1 H LYS 53 H LYS 53 20.443 6.197 0.041 2 HA LYS 53 HA LYS 53 21.597 6.537 2.655 3 HB2 LYS 53 HB2 LYS 53 23.260 7.915 1.483 4 HB3 LYS 53 HB3 LYS 53 23.028 6.373 0.669 5 HG2 LYS 53 HG2 LYS 53 21.527 7.497 -0.943 6 HG3 LYS 53 HG3 LYS 53 21.895 9.037 -0.162 7 HD2 LYS 53 HD2 LYS 53 24.288 8.681 -0.683 8 HD3 LYS 53 HD3 LYS 53 23.850 7.206 -1.549 9 HE2 LYS 53 HE2 LYS 53 24.093 8.958 -3.155 10 HE3 LYS 53 HE3 LYS 53 22.376 8.588 -3.010 11 HZ1 LYS 53 HZ1 LYS 53 22.133 10.507 -1.540 12 HZ2 LYS 53 HZ2 LYS 53 23.786 10.864 -1.723 13 HZ3 LYS 53 HZ3 LYS 53 22.741 10.966 -3.056 No H/Q in entry = 13 In of MODEL 20 1 H ASP 54 H ASP 54 19.127 7.981 0.926 2 HA ASP 54 HA ASP 54 19.254 10.414 2.582 3 HB2 ASP 54 HB2 ASP 54 18.379 10.218 -0.316 4 HB3 ASP 54 HB3 ASP 54 18.162 11.646 0.694 No H/Q in entry = 4 In of MODEL 20 1 H TRP 55 H TRP 55 18.030 8.007 3.229 2 HA TRP 55 HA TRP 55 15.147 8.669 3.146 3 HB2 TRP 55 HB2 TRP 55 15.703 6.811 1.579 4 HB3 TRP 55 HB3 TRP 55 16.406 5.913 2.916 5 HD1 TRP 55 HD1 TRP 55 12.956 7.236 1.725 6 HE1 TRP 55 HE1 TRP 55 11.148 5.712 2.696 7 HE3 TRP 55 HE3 TRP 55 15.900 4.171 4.678 8 HZ2 TRP 55 HZ2 TRP 55 10.956 3.555 4.433 9 HZ3 TRP 55 HZ3 TRP 55 14.775 2.399 5.950 10 HH2 TRP 55 HH2 TRP 55 12.358 2.087 5.838 No H/Q in entry = 10 In of MODEL 20 1 H SER 56 H SER 56 15.447 9.633 5.219 2 HA SER 56 HA SER 56 16.001 7.710 7.333 3 HB2 SER 56 HB2 SER 56 15.700 9.730 8.872 4 HB3 SER 56 HB3 SER 56 17.104 9.770 7.798 5 HG SER 56 HG SER 56 15.785 11.746 7.899 No H/Q in entry = 5 In of MODEL 20 1 H PHE 57 H PHE 57 13.283 9.829 6.221 2 HA PHE 57 HA PHE 57 11.423 9.154 7.973 3 HB2 PHE 57 HB2 PHE 57 9.753 9.600 6.203 4 HB3 PHE 57 HB3 PHE 57 11.001 10.815 6.340 5 HD1 PHE 57 HD1 PHE 57 13.149 9.744 4.657 6 HD2 PHE 57 HD2 PHE 57 8.946 9.625 4.088 7 HE1 PHE 57 HE1 PHE 57 13.501 9.631 2.233 8 HE2 PHE 57 HE2 PHE 57 9.283 9.505 1.654 9 HZ PHE 57 HZ PHE 57 11.563 9.507 0.724 No H/Q in entry = 9 In of MODEL 20 1 H TYR 58 H TYR 58 10.692 7.521 4.888 2 HA TYR 58 HA TYR 58 10.361 4.958 5.843 3 HB2 TYR 58 HB2 TYR 58 8.142 4.854 6.765 4 HB3 TYR 58 HB3 TYR 58 9.037 6.074 7.650 5 HD1 TYR 58 HD1 TYR 58 5.922 5.628 7.271 6 HD2 TYR 58 HD2 TYR 58 8.737 8.323 5.543 7 HE1 TYR 58 HE1 TYR 58 4.110 7.271 6.874 8 HE2 TYR 58 HE2 TYR 58 6.942 9.963 5.151 9 HH TYR 58 HH TYR 58 3.999 9.848 6.623 No H/Q in entry = 9 In of MODEL 20 1 H LEU 59 H LEU 59 8.718 3.690 4.594 2 HA LEU 59 HA LEU 59 8.383 4.883 1.926 3 HB2 LEU 59 HB2 LEU 59 8.868 2.175 3.007 4 HB3 LEU 59 HB3 LEU 59 7.787 2.255 1.631 5 HG LEU 59 HG LEU 59 10.465 3.596 1.515 6 HD11 LEU 59 HD11 LEU 59 10.710 1.182 2.261 7 HD12 LEU 59 HD12 LEU 59 9.998 0.723 0.711 8 HD13 LEU 59 HD13 LEU 59 11.523 1.612 0.761 9 HD21 LEU 59 HD21 LEU 59 8.501 2.471 -0.471 10 HD22 LEU 59 HD22 LEU 59 9.031 4.144 -0.293 11 HD23 LEU 59 HD23 LEU 59 10.141 2.926 -0.908 No H/Q in entry = 11 In of MODEL 20 1 H LEU 60 H LEU 60 6.449 5.580 1.408 2 HA LEU 60 HA LEU 60 4.113 3.935 1.950 3 HB2 LEU 60 HB2 LEU 60 4.091 5.519 3.750 4 HB3 LEU 60 HB3 LEU 60 4.442 6.844 2.661 5 HG LEU 60 HG LEU 60 2.217 6.610 1.654 6 HD11 LEU 60 HD11 LEU 60 1.928 4.213 2.027 7 HD12 LEU 60 HD12 LEU 60 1.772 4.507 3.760 8 HD13 LEU 60 HD13 LEU 60 0.561 5.139 2.645 9 HD21 LEU 60 HD21 LEU 60 2.531 8.143 3.524 10 HD22 LEU 60 HD22 LEU 60 0.921 7.422 3.563 11 HD23 LEU 60 HD23 LEU 60 2.175 6.841 4.659 No H/Q in entry = 11 In of MODEL 20 1 H TYR 61 H TYR 61 2.500 4.158 0.409 2 HA TYR 61 HA TYR 61 2.980 5.969 -1.881 3 HB2 TYR 61 HB2 TYR 61 2.092 3.044 -1.874 4 HB3 TYR 61 HB3 TYR 61 1.960 4.091 -3.299 5 HD1 TYR 61 HD1 TYR 61 3.745 4.229 -4.794 6 HD2 TYR 61 HD2 TYR 61 4.517 2.801 -0.855 7 HE1 TYR 61 HE1 TYR 61 6.056 3.697 -5.450 8 HE2 TYR 61 HE2 TYR 61 6.844 2.271 -1.506 9 HH TYR 61 HH TYR 61 8.252 3.403 -4.356 No H/Q in entry = 9 In of MODEL 20 1 H TYR 62 H TYR 62 0.813 6.444 -3.046 2 HA TYR 62 HA TYR 62 -1.441 6.029 -1.244 3 HB2 TYR 62 HB2 TYR 62 -2.150 8.467 -1.726 4 HB3 TYR 62 HB3 TYR 62 -0.976 8.124 -0.468 5 HD1 TYR 62 HD1 TYR 62 1.116 9.163 -0.485 6 HD2 TYR 62 HD2 TYR 62 -1.267 9.298 -4.000 7 HE1 TYR 62 HE1 TYR 62 2.664 10.804 -1.456 8 HE2 TYR 62 HE2 TYR 62 0.273 10.946 -4.985 9 HH TYR 62 HH TYR 62 3.324 11.722 -3.505 No H/Q in entry = 9 In of MODEL 20 1 H THR 63 H THR 63 -3.443 5.790 -2.176 2 HA THR 63 HA THR 63 -3.810 6.512 -4.989 3 HB THR 63 HB THR 63 -3.205 4.062 -4.966 4 HG1 THR 63 HG1 THR 63 -5.914 4.490 -5.739 5 HG21 THR 63 HG21 THR 63 -5.691 3.922 -3.298 6 HG22 THR 63 HG22 THR 63 -5.200 2.569 -4.314 7 HG23 THR 63 HG23 THR 63 -4.141 3.136 -3.030 No H/Q in entry = 7 In of MODEL 20 1 H GLU 64 H GLU 64 -5.788 7.226 -5.450 2 HA GLU 64 HA GLU 64 -7.760 7.902 -3.614 3 HB2 GLU 64 HB2 GLU 64 -7.852 8.996 -5.701 4 HB3 GLU 64 HB3 GLU 64 -7.672 7.505 -6.594 5 HG2 GLU 64 HG2 GLU 64 -10.014 6.917 -5.744 6 HG3 GLU 64 HG3 GLU 64 -10.124 8.612 -5.266 No H/Q in entry = 6 In of MODEL 20 1 H PHE 65 H PHE 65 -9.525 6.775 -2.698 2 HA PHE 65 HA PHE 65 -10.258 4.257 -3.966 3 HB2 PHE 65 HB2 PHE 65 -10.164 3.012 -1.939 4 HB3 PHE 65 HB3 PHE 65 -8.665 3.891 -2.101 5 HD1 PHE 65 HD1 PHE 65 -11.965 4.853 -0.642 6 HD2 PHE 65 HD2 PHE 65 -7.787 4.353 -0.074 7 HE1 PHE 65 HE1 PHE 65 -12.179 5.706 1.655 8 HE2 PHE 65 HE2 PHE 65 -8.003 5.206 2.235 9 HZ PHE 65 HZ PHE 65 -10.215 5.886 3.099 No H/Q in entry = 9 In of MODEL 20 1 H THR 66 H THR 66 -12.380 3.501 -3.552 2 HA THR 66 HA THR 66 -13.975 5.176 -1.732 3 HB THR 66 HB THR 66 -15.043 4.036 -4.331 4 HG1 THR 66 HG1 THR 66 -13.610 6.369 -3.772 5 HG21 THR 66 HG21 THR 66 -16.069 6.092 -2.361 6 HG22 THR 66 HG22 THR 66 -16.786 5.789 -3.945 7 HG23 THR 66 HG23 THR 66 -16.773 4.515 -2.730 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 67 HA PRO 67 -14.394 0.914 -0.246 2 HB2 PRO 67 HB2 PRO 67 -15.755 1.676 2.091 3 HB3 PRO 67 HB3 PRO 67 -14.038 1.304 1.943 4 HG2 PRO 67 HG2 PRO 67 -15.281 3.868 2.363 5 HG3 PRO 67 HG3 PRO 67 -13.564 3.454 2.350 6 HD2 PRO 67 HD2 PRO 67 -15.066 4.856 0.384 7 HD3 PRO 67 HD3 PRO 67 -13.344 4.445 0.354 No H/Q in entry = 7 In of MODEL 20 1 H THR 68 H THR 68 -15.856 -0.472 -0.464 2 HA THR 68 HA THR 68 -18.694 0.226 -0.361 3 HB THR 68 HB THR 68 -19.171 -1.112 -2.315 4 HG1 THR 68 HG1 THR 68 -17.001 -1.822 -3.445 5 HG21 THR 68 HG21 THR 68 -16.822 0.686 -2.932 6 HG22 THR 68 HG22 THR 68 -17.971 0.060 -4.116 7 HG23 THR 68 HG23 THR 68 -18.517 1.171 -2.860 No H/Q in entry = 7 In of MODEL 20 1 H GLU 69 H GLU 69 -19.972 -1.647 0.293 2 HA GLU 69 HA GLU 69 -18.570 -3.397 2.034 3 HB2 GLU 69 HB2 GLU 69 -20.826 -4.587 2.206 4 HB3 GLU 69 HB3 GLU 69 -20.731 -2.917 2.743 5 HG2 GLU 69 HG2 GLU 69 -21.755 -2.192 0.655 6 HG3 GLU 69 HG3 GLU 69 -21.840 -3.874 0.121 No H/Q in entry = 6 In of MODEL 20 1 H LYS 70 H LYS 70 -18.385 -3.491 -1.181 2 HA LYS 70 HA LYS 70 -18.345 -6.423 -1.290 3 HB2 LYS 70 HB2 LYS 70 -18.492 -4.509 -3.621 4 HB3 LYS 70 HB3 LYS 70 -18.589 -6.258 -3.702 5 HG2 LYS 70 HG2 LYS 70 -20.629 -4.745 -2.129 6 HG3 LYS 70 HG3 LYS 70 -20.738 -4.800 -3.882 7 HD2 LYS 70 HD2 LYS 70 -22.069 -6.568 -3.212 8 HD3 LYS 70 HD3 LYS 70 -20.540 -7.348 -3.604 9 HE2 LYS 70 HE2 LYS 70 -19.976 -7.502 -1.265 10 HE3 LYS 70 HE3 LYS 70 -21.403 -6.568 -0.819 11 HZ1 LYS 70 HZ1 LYS 70 -21.436 -9.224 -2.152 12 HZ2 LYS 70 HZ2 LYS 70 -21.707 -8.964 -0.499 13 HZ3 LYS 70 HZ3 LYS 70 -22.794 -8.344 -1.647 No H/Q in entry = 13 In of MODEL 20 1 H ASP 71 H ASP 71 -16.383 -3.528 -1.786 2 HA ASP 71 HA ASP 71 -14.329 -5.170 -3.054 3 HB2 ASP 71 HB2 ASP 71 -14.533 -2.156 -2.844 4 HB3 ASP 71 HB3 ASP 71 -13.273 -3.032 -3.686 No H/Q in entry = 4 In of MODEL 20 1 H GLU 72 H GLU 72 -12.472 -5.622 -2.155 2 HA GLU 72 HA GLU 72 -11.786 -4.787 0.586 3 HB2 GLU 72 HB2 GLU 72 -11.954 -7.189 0.065 4 HB3 GLU 72 HB3 GLU 72 -10.780 -7.006 -1.226 5 HG2 GLU 72 HG2 GLU 72 -9.111 -6.311 0.549 6 HG3 GLU 72 HG3 GLU 72 -10.314 -6.826 1.735 No H/Q in entry = 6 In of MODEL 20 1 H TYR 73 H TYR 73 -9.594 -4.053 1.024 2 HA TYR 73 HA TYR 73 -7.993 -3.341 -1.348 3 HB2 TYR 73 HB2 TYR 73 -8.422 -1.708 1.164 4 HB3 TYR 73 HB3 TYR 73 -7.184 -1.348 -0.030 5 HD1 TYR 73 HD1 TYR 73 -10.849 -1.755 0.381 6 HD2 TYR 73 HD2 TYR 73 -7.711 -0.017 -1.900 7 HE1 TYR 73 HE1 TYR 73 -12.506 -0.453 -0.913 8 HE2 TYR 73 HE2 TYR 73 -9.355 1.274 -3.190 9 HH TYR 73 HH TYR 73 -12.666 1.475 -2.285 No H/Q in entry = 9 In of MODEL 20 1 H ALA 74 H ALA 74 -5.896 -3.917 -1.374 2 HA ALA 74 HA ALA 74 -4.645 -4.917 1.095 3 HB1 ALA 74 HB1 ALA 74 -5.544 -6.862 -0.009 4 HB2 ALA 74 HB2 ALA 74 -3.793 -6.860 -0.173 5 HB3 ALA 74 HB3 ALA 74 -4.802 -6.377 -1.540 No H/Q in entry = 5 In of MODEL 20 1 H CYS 75 H CYS 75 -2.244 -5.059 0.940 2 HA CYS 75 HA CYS 75 -1.159 -3.567 -1.367 3 HB2 CYS 75 HB2 CYS 75 -1.059 -2.102 0.534 4 HB3 CYS 75 HB3 CYS 75 -0.313 -3.352 1.518 No H/Q in entry = 4 In of MODEL 20 1 H ARG 76 H ARG 76 0.480 -4.511 -2.440 2 HA ARG 76 HA ARG 76 1.460 -7.118 -1.470 3 HB2 ARG 76 HB2 ARG 76 0.138 -6.784 -3.672 4 HB3 ARG 76 HB3 ARG 76 1.622 -6.073 -4.291 5 HG2 ARG 76 HG2 ARG 76 2.758 -8.141 -4.162 6 HG3 ARG 76 HG3 ARG 76 1.526 -8.853 -3.117 7 HD2 ARG 76 HD2 ARG 76 1.291 -9.750 -5.393 8 HD3 ARG 76 HD3 ARG 76 -0.095 -8.733 -4.988 9 HE ARG 76 HE ARG 76 1.897 -7.179 -6.281 10 HH11 ARG 76 HH11 ARG 76 -0.517 -9.636 -6.951 11 HH12 ARG 76 HH12 ARG 76 -0.699 -9.193 -8.620 12 HH21 ARG 76 HH21 ARG 76 1.657 -6.593 -8.489 13 HH22 ARG 76 HH22 ARG 76 0.517 -7.451 -9.489 No H/Q in entry = 13 In of MODEL 20 1 H VAL 77 H VAL 77 3.624 -7.270 -0.928 2 HA VAL 77 HA VAL 77 5.467 -5.434 -2.314 3 HB VAL 77 HB VAL 77 5.011 -4.791 0.151 4 HG11 VAL 77 HG11 VAL 77 6.849 -7.148 0.574 5 HG12 VAL 77 HG12 VAL 77 6.455 -5.934 1.790 6 HG13 VAL 77 HG13 VAL 77 5.192 -6.990 1.156 7 HG21 VAL 77 HG21 VAL 77 6.814 -3.883 -1.281 8 HG22 VAL 77 HG22 VAL 77 7.274 -3.998 0.421 9 HG23 VAL 77 HG23 VAL 77 7.870 -5.194 -0.736 No H/Q in entry = 9 In of MODEL 20 1 H ASN 78 H ASN 78 7.322 -6.196 -2.996 2 HA ASN 78 HA ASN 78 8.143 -8.935 -2.253 3 HB2 ASN 78 HB2 ASN 78 6.858 -8.978 -4.412 4 HB3 ASN 78 HB3 ASN 78 8.085 -7.921 -5.105 5 HD21 ASN 78 HD21 ASN 78 8.721 -9.396 -6.643 6 HD22 ASN 78 HD22 ASN 78 9.588 -10.842 -6.251 No H/Q in entry = 6 In of MODEL 20 1 H HIS 79 H HIS 79 10.235 -9.208 -1.955 2 HA HIS 79 HA HIS 79 12.090 -7.177 -2.884 3 HB2 HIS 79 HB2 HIS 79 12.411 -8.629 -0.265 4 HB3 HIS 79 HB3 HIS 79 13.183 -7.184 -0.832 5 HD2 HIS 79 HD2 HIS 79 12.401 -5.052 0.473 6 HE1 HIS 79 HE1 HIS 79 8.442 -6.312 1.248 7 HE2 HIS 79 HE2 HIS 79 10.171 -4.520 1.672 No H/Q in entry = 7 In of MODEL 20 1 H VAL 80 H VAL 80 14.328 -8.090 -3.043 2 HA VAL 80 HA VAL 80 14.396 -10.454 -4.475 3 HB VAL 80 HB VAL 80 16.238 -9.352 -4.942 4 HG11 VAL 80 HG11 VAL 80 15.868 -7.682 -3.101 5 HG12 VAL 80 HG12 VAL 80 17.023 -8.635 -2.171 6 HG13 VAL 80 HG13 VAL 80 17.516 -7.896 -3.683 7 HG21 VAL 80 HG21 VAL 80 16.996 -11.584 -4.352 8 HG22 VAL 80 HG22 VAL 80 18.265 -10.372 -4.165 9 HG23 VAL 80 HG23 VAL 80 17.424 -10.995 -2.748 No H/Q in entry = 9 In of MODEL 20 1 H THR 81 H THR 81 14.249 -10.174 -1.072 2 HA THR 81 HA THR 81 15.626 -12.661 -0.614 3 HB THR 81 HB THR 81 16.027 -11.511 1.304 4 HG1 THR 81 HG1 THR 81 14.907 -12.545 2.752 5 HG21 THR 81 HG21 THR 81 14.933 -9.497 0.279 6 HG22 THR 81 HG22 THR 81 13.406 -10.016 1.009 7 HG23 THR 81 HG23 THR 81 14.774 -9.581 2.040 No H/Q in entry = 7 In of MODEL 20 1 H LEU 82 H LEU 82 12.338 -11.451 0.077 2 HA LEU 82 HA LEU 82 11.113 -13.737 0.898 3 HB2 LEU 82 HB2 LEU 82 9.770 -11.762 -0.935 4 HB3 LEU 82 HB3 LEU 82 9.021 -12.774 0.289 5 HG LEU 82 HG LEU 82 10.925 -10.530 0.894 6 HD11 LEU 82 HD11 LEU 82 7.934 -10.615 0.990 7 HD12 LEU 82 HD12 LEU 82 8.950 -9.330 1.648 8 HD13 LEU 82 HD13 LEU 82 8.946 -9.647 -0.085 9 HD21 LEU 82 HD21 LEU 82 9.144 -12.184 2.670 10 HD22 LEU 82 HD22 LEU 82 10.905 -12.259 2.605 11 HD23 LEU 82 HD23 LEU 82 10.105 -10.798 3.184 No H/Q in entry = 11 In of MODEL 20 1 H SER 83 H SER 83 11.489 -12.674 -2.453 2 HA SER 83 HA SER 83 11.420 -13.766 -4.440 3 HB2 SER 83 HB2 SER 83 12.613 -15.624 -3.229 4 HB3 SER 83 HB3 SER 83 11.039 -16.352 -2.912 5 HG SER 83 HG SER 83 10.764 -16.717 -5.069 No H/Q in entry = 5 In of MODEL 20 1 H GLN 84 H GLN 84 9.023 -14.483 -2.036 2 HA GLN 84 HA GLN 84 6.977 -14.396 -4.137 3 HB2 GLN 84 HB2 GLN 84 5.514 -15.810 -2.710 4 HB3 GLN 84 HB3 GLN 84 6.951 -16.649 -3.270 5 HG2 GLN 84 HG2 GLN 84 7.953 -16.526 -1.089 6 HG3 GLN 84 HG3 GLN 84 6.703 -15.416 -0.522 7 HE21 GLN 84 HE21 GLN 84 6.182 -16.741 1.178 8 HE22 GLN 84 HE22 GLN 84 5.305 -18.219 0.969 No H/Q in entry = 8 In of MODEL 20 1 HA PRO 85 HA PRO 85 6.078 -10.702 -1.705 2 HB2 PRO 85 HB2 PRO 85 3.937 -9.845 -3.155 3 HB3 PRO 85 HB3 PRO 85 5.633 -9.517 -3.571 4 HG2 PRO 85 HG2 PRO 85 3.746 -11.541 -4.709 5 HG3 PRO 85 HG3 PRO 85 5.008 -10.586 -5.527 6 HD2 PRO 85 HD2 PRO 85 5.342 -13.250 -4.841 7 HD3 PRO 85 HD3 PRO 85 6.700 -12.078 -4.956 No H/Q in entry = 7 In of MODEL 20 1 H LYS 86 H LYS 86 4.416 -9.928 -0.380 2 HA LYS 86 HA LYS 86 2.305 -11.909 0.163 3 HB2 LYS 86 HB2 LYS 86 3.388 -9.857 2.110 4 HB3 LYS 86 HB3 LYS 86 2.304 -11.196 2.467 5 HG2 LYS 86 HG2 LYS 86 4.124 -12.799 2.159 6 HG3 LYS 86 HG3 LYS 86 5.179 -11.504 1.585 7 HD2 LYS 86 HD2 LYS 86 5.565 -10.706 3.699 8 HD3 LYS 86 HD3 LYS 86 4.001 -11.232 4.320 9 HE2 LYS 86 HE2 LYS 86 6.421 -12.960 3.773 10 HE3 LYS 86 HE3 LYS 86 5.717 -12.565 5.340 11 HZ1 LYS 86 HZ1 LYS 86 3.652 -13.708 4.523 12 HZ2 LYS 86 HZ2 LYS 86 4.562 -14.279 3.212 13 HZ3 LYS 86 HZ3 LYS 86 4.984 -14.720 4.797 No H/Q in entry = 13 In of MODEL 20 1 H ILE 87 H ILE 87 0.284 -11.213 0.717 2 HA ILE 87 HA ILE 87 -0.351 -8.431 -0.014 3 HB ILE 87 HB ILE 87 -1.800 -10.921 -0.571 4 HG12 ILE 87 HG12 ILE 87 -1.191 -9.665 -2.445 5 HG13 ILE 87 HG13 ILE 87 -2.899 -9.260 -2.244 6 HG21 ILE 87 HG21 ILE 87 -3.322 -8.578 0.541 7 HG22 ILE 87 HG22 ILE 87 -4.054 -9.867 -0.417 8 HG23 ILE 87 HG23 ILE 87 -3.312 -10.235 1.144 9 HD11 ILE 87 HD11 ILE 87 -0.622 -7.583 -1.251 10 HD12 ILE 87 HD12 ILE 87 -1.509 -7.315 -2.747 11 HD13 ILE 87 HD13 ILE 87 -2.338 -7.185 -1.200 No H/Q in entry = 11 In of MODEL 20 1 H VAL 88 H VAL 88 -1.166 -7.092 1.438 2 HA VAL 88 HA VAL 88 -2.101 -8.200 4.002 3 HB VAL 88 HB VAL 88 -0.072 -6.951 4.365 4 HG11 VAL 88 HG11 VAL 88 -1.410 -4.676 2.947 5 HG12 VAL 88 HG12 VAL 88 0.099 -4.554 3.851 6 HG13 VAL 88 HG13 VAL 88 0.015 -5.570 2.406 7 HG21 VAL 88 HG21 VAL 88 -2.534 -5.477 5.235 8 HG22 VAL 88 HG22 VAL 88 -1.653 -6.717 6.128 9 HG23 VAL 88 HG23 VAL 88 -0.924 -5.129 5.861 No H/Q in entry = 9 In of MODEL 20 1 H LYS 89 H LYS 89 -4.229 -7.836 4.347 2 HA LYS 89 HA LYS 89 -5.465 -5.839 2.599 3 HB2 LYS 89 HB2 LYS 89 -6.915 -8.092 3.955 4 HB3 LYS 89 HB3 LYS 89 -7.470 -7.092 2.629 5 HG2 LYS 89 HG2 LYS 89 -6.166 -8.208 1.100 6 HG3 LYS 89 HG3 LYS 89 -5.066 -8.808 2.344 7 HD2 LYS 89 HD2 LYS 89 -7.914 -9.647 1.900 8 HD3 LYS 89 HD3 LYS 89 -6.483 -10.633 1.595 9 HE2 LYS 89 HE2 LYS 89 -6.009 -10.438 4.072 10 HE3 LYS 89 HE3 LYS 89 -7.587 -9.683 4.230 11 HZ1 LYS 89 HZ1 LYS 89 -8.564 -11.712 3.239 12 HZ2 LYS 89 HZ2 LYS 89 -7.031 -12.439 3.285 13 HZ3 LYS 89 HZ3 LYS 89 -7.799 -11.988 4.726 No H/Q in entry = 13 In of MODEL 20 1 H TRP 90 H TRP 90 -6.968 -4.432 3.415 2 HA TRP 90 HA TRP 90 -6.381 -3.618 6.113 3 HB2 TRP 90 HB2 TRP 90 -6.496 -1.927 4.341 4 HB3 TRP 90 HB3 TRP 90 -8.152 -2.399 3.989 5 HD1 TRP 90 HD1 TRP 90 -6.572 -1.375 7.426 6 HE1 TRP 90 HE1 TRP 90 -7.959 0.519 8.383 7 HE3 TRP 90 HE3 TRP 90 -9.883 -0.749 3.526 8 HZ2 TRP 90 HZ2 TRP 90 -10.233 2.048 7.659 9 HZ3 TRP 90 HZ3 TRP 90 -11.620 0.971 3.744 10 HH2 TRP 90 HH2 TRP 90 -11.797 2.352 5.741 No H/Q in entry = 10 In of MODEL 20 1 H ASP 91 H ASP 91 -7.593 -3.841 7.885 2 HA ASP 91 HA ASP 91 -9.675 -5.768 7.898 3 HB2 ASP 91 HB2 ASP 91 -9.840 -5.247 10.320 4 HB3 ASP 91 HB3 ASP 91 -8.189 -5.582 9.809 No H/Q in entry = 4 In of MODEL 20 1 H ARG 92 H ARG 92 -11.449 -5.215 6.769 2 HA ARG 92 HA ARG 92 -13.395 -3.610 8.025 3 HB2 ARG 92 HB2 ARG 92 -13.542 -1.683 6.687 4 HB3 ARG 92 HB3 ARG 92 -11.803 -1.899 6.876 5 HG2 ARG 92 HG2 ARG 92 -11.900 -1.460 4.650 6 HG3 ARG 92 HG3 ARG 92 -12.021 -3.235 4.616 7 HD2 ARG 92 HD2 ARG 92 -13.709 -1.852 3.149 8 HD3 ARG 92 HD3 ARG 92 -14.356 -3.139 4.177 9 HE ARG 92 HE ARG 92 -14.525 -0.882 5.717 10 HH11 ARG 92 HH11 ARG 92 -15.695 -1.863 2.559 11 HH12 ARG 92 HH12 ARG 92 -17.074 -0.812 2.604 12 HH21 ARG 92 HH21 ARG 92 -16.371 0.490 5.782 13 HH22 ARG 92 HH22 ARG 92 -17.453 0.524 4.419 No H/Q in entry = 13 In of MODEL 20 1 H ASP 93 H ASP 93 -12.357 -5.853 5.862 2 HA ASP 93 HA ASP 93 -14.909 -6.685 4.970 3 HB2 ASP 93 HB2 ASP 93 -14.439 -4.609 3.561 4 HB3 ASP 93 HB3 ASP 93 -13.165 -5.556 2.789 No H/Q in entry = 4 In of MODEL 20 1 HA MET 94 HA MET 94 -10.904 -9.020 3.541 2 HB2 MET 94 HB2 MET 94 -9.379 -9.809 5.662 3 HB3 MET 94 HB3 MET 94 -8.992 -8.484 4.577 4 HG2 MET 94 HG2 MET 94 -8.766 -7.998 7.063 5 HG3 MET 94 HG3 MET 94 -9.700 -6.824 6.134 6 HE1 MET 94 HE1 MET 94 -9.489 -9.171 9.102 7 HE2 MET 94 HE2 MET 94 -11.152 -9.656 9.438 8 HE3 MET 94 HE3 MET 94 -10.316 -10.291 8.020 No H/Q in entry = 8 In of MODEL 21 1 HA MET 1 HA MET 1 4.762 -8.437 6.606 2 HB2 MET 1 HB2 MET 1 3.827 -7.665 8.640 3 HB3 MET 1 HB3 MET 1 5.340 -8.444 9.079 4 HG2 MET 1 HG2 MET 1 4.955 -5.476 8.758 5 HG3 MET 1 HG3 MET 1 4.931 -6.339 10.294 6 HE1 MET 1 HE1 MET 1 6.807 -3.812 9.519 7 HE2 MET 1 HE2 MET 1 6.805 -4.549 11.122 8 HE3 MET 1 HE3 MET 1 8.329 -4.297 10.271 No H/Q in entry = 8 In of MODEL 21 1 H ILE 2 H ILE 2 3.043 -6.909 6.282 2 HA ILE 2 HA ILE 2 3.868 -4.118 5.833 3 HB ILE 2 HB ILE 2 1.676 -5.386 4.193 4 HG12 ILE 2 HG12 ILE 2 4.411 -5.149 2.993 5 HG13 ILE 2 HG13 ILE 2 3.996 -6.578 3.938 6 HG21 ILE 2 HG21 ILE 2 1.908 -2.923 4.260 7 HG22 ILE 2 HG22 ILE 2 3.513 -3.082 3.541 8 HG23 ILE 2 HG23 ILE 2 2.088 -3.596 2.642 9 HD11 ILE 2 HD11 ILE 2 2.508 -5.584 1.513 10 HD12 ILE 2 HD12 ILE 2 3.626 -6.948 1.558 11 HD13 ILE 2 HD13 ILE 2 2.108 -7.021 2.449 No H/Q in entry = 11 In of MODEL 21 1 H GLN 3 H GLN 3 2.342 -2.611 6.528 2 HA GLN 3 HA GLN 3 -0.179 -3.716 7.578 3 HB2 GLN 3 HB2 GLN 3 1.702 -1.789 8.933 4 HB3 GLN 3 HB3 GLN 3 0.002 -1.936 9.404 5 HG2 GLN 3 HG2 GLN 3 0.304 -4.265 9.992 6 HG3 GLN 3 HG3 GLN 3 1.984 -4.216 9.395 7 HE21 GLN 3 HE21 GLN 3 -0.210 -3.184 11.915 8 HE22 GLN 3 HE22 GLN 3 1.013 -2.723 13.055 No H/Q in entry = 8 In of MODEL 21 1 H VAL 4 H VAL 4 -1.737 -2.937 6.350 2 HA VAL 4 HA VAL 4 -1.489 -0.276 5.198 3 HB VAL 4 HB VAL 4 -3.745 -0.908 4.102 4 HG11 VAL 4 HG11 VAL 4 -1.606 -0.922 2.913 5 HG12 VAL 4 HG12 VAL 4 -1.301 -2.563 3.482 6 HG13 VAL 4 HG13 VAL 4 -2.648 -2.246 2.391 7 HG21 VAL 4 HG21 VAL 4 -2.907 -3.613 5.135 8 HG22 VAL 4 HG22 VAL 4 -4.338 -2.708 5.623 9 HG23 VAL 4 HG23 VAL 4 -4.196 -3.311 3.971 No H/Q in entry = 9 In of MODEL 21 1 H TYR 5 H TYR 5 -3.073 1.285 5.367 2 HA TYR 5 HA TYR 5 -5.073 1.196 7.443 3 HB2 TYR 5 HB2 TYR 5 -2.573 2.879 7.700 4 HB3 TYR 5 HB3 TYR 5 -4.071 3.304 8.514 5 HD1 TYR 5 HD1 TYR 5 -1.025 2.178 9.250 6 HD2 TYR 5 HD2 TYR 5 -5.036 0.793 9.620 7 HE1 TYR 5 HE1 TYR 5 -0.352 0.759 11.149 8 HE2 TYR 5 HE2 TYR 5 -4.368 -0.635 11.520 9 HH TYR 5 HH TYR 5 -2.198 -1.725 12.332 No H/Q in entry = 9 In of MODEL 21 1 H SER 6 H SER 6 -5.980 3.532 7.631 2 HA SER 6 HA SER 6 -5.585 5.011 5.115 3 HB2 SER 6 HB2 SER 6 -8.203 4.735 6.624 4 HB3 SER 6 HB3 SER 6 -7.944 5.648 5.134 5 HG SER 6 HG SER 6 -7.402 2.876 5.304 No H/Q in entry = 5 In of MODEL 21 1 H ARG 7 H ARG 7 -5.913 7.314 5.305 2 HA ARG 7 HA ARG 7 -4.876 8.293 7.823 3 HB2 ARG 7 HB2 ARG 7 -4.580 9.058 5.169 4 HB3 ARG 7 HB3 ARG 7 -5.584 10.331 5.852 5 HG2 ARG 7 HG2 ARG 7 -2.887 9.425 6.862 6 HG3 ARG 7 HG3 ARG 7 -3.238 10.920 5.995 7 HD2 ARG 7 HD2 ARG 7 -4.500 11.778 7.810 8 HD3 ARG 7 HD3 ARG 7 -4.508 10.214 8.626 9 HE ARG 7 HE ARG 7 -1.847 11.101 8.252 10 HH11 ARG 7 HH11 ARG 7 -4.701 11.781 10.183 11 HH12 ARG 7 HH12 ARG 7 -3.791 12.337 11.555 12 HH21 ARG 7 HH21 ARG 7 -0.657 11.863 10.046 13 HH22 ARG 7 HH22 ARG 7 -1.500 12.399 11.467 No H/Q in entry = 13 In of MODEL 21 1 H HIS 8 H HIS 8 -7.928 7.811 6.556 2 HA HIS 8 HA HIS 8 -9.141 9.669 8.461 3 HB2 HIS 8 HB2 HIS 8 -10.036 9.379 5.577 4 HB3 HIS 8 HB3 HIS 8 -10.827 10.358 6.802 5 HD2 HIS 8 HD2 HIS 8 -8.830 11.050 3.888 6 HE1 HIS 8 HE1 HIS 8 -7.363 13.799 6.748 7 HE2 HIS 8 HE2 HIS 8 -7.578 13.290 4.270 No H/Q in entry = 7 In of MODEL 21 1 HA PRO 9 HA PRO 9 -11.846 6.280 9.334 2 HB2 PRO 9 HB2 PRO 9 -14.356 7.468 9.440 3 HB3 PRO 9 HB3 PRO 9 -13.176 7.462 10.758 4 HG2 PRO 9 HG2 PRO 9 -13.946 9.638 8.904 5 HG3 PRO 9 HG3 PRO 9 -13.239 9.732 10.521 6 HD2 PRO 9 HD2 PRO 9 -11.881 10.179 8.117 7 HD3 PRO 9 HD3 PRO 9 -11.136 9.872 9.699 No H/Q in entry = 7 In of MODEL 21 1 H ALA 10 H ALA 10 -12.694 4.671 8.174 2 HA ALA 10 HA ALA 10 -13.410 4.845 5.463 3 HB1 ALA 10 HB1 ALA 10 -14.224 2.551 5.737 4 HB2 ALA 10 HB2 ALA 10 -12.664 2.774 6.529 5 HB3 ALA 10 HB3 ALA 10 -14.142 2.730 7.488 No H/Q in entry = 5 In of MODEL 21 1 H GLU 11 H GLU 11 -15.172 6.003 4.720 2 HA GLU 11 HA GLU 11 -17.736 5.255 5.969 3 HB2 GLU 11 HB2 GLU 11 -16.752 7.800 6.077 4 HB3 GLU 11 HB3 GLU 11 -17.631 7.860 4.558 5 HG2 GLU 11 HG2 GLU 11 -18.935 8.638 6.478 6 HG3 GLU 11 HG3 GLU 11 -19.678 7.286 5.640 No H/Q in entry = 6 In of MODEL 21 1 H ASN 12 H ASN 12 -18.026 3.590 4.492 2 HA ASN 12 HA ASN 12 -17.996 3.113 1.965 3 HB2 ASN 12 HB2 ASN 12 -20.375 3.059 3.819 4 HB3 ASN 12 HB3 ASN 12 -20.606 2.524 2.164 5 HD21 ASN 12 HD21 ASN 12 -20.884 0.971 4.508 6 HD22 ASN 12 HD22 ASN 12 -19.718 -0.315 4.424 No H/Q in entry = 6 In of MODEL 21 1 H GLY 13 H GLY 13 -17.658 4.632 0.412 2 HA2 GLY 13 HA2 GLY 13 -19.926 6.452 -0.189 3 HA3 GLY 13 HA3 GLY 13 -18.933 5.696 -1.429 No H/Q in entry = 3 In of MODEL 21 1 H LYS 14 H LYS 14 -16.817 6.578 0.958 2 HA LYS 14 HA LYS 14 -16.428 9.290 -0.160 3 HB2 LYS 14 HB2 LYS 14 -14.923 7.989 2.116 4 HB3 LYS 14 HB3 LYS 14 -14.875 9.676 1.654 5 HG2 LYS 14 HG2 LYS 14 -17.436 8.421 2.531 6 HG3 LYS 14 HG3 LYS 14 -16.221 8.913 3.703 7 HD2 LYS 14 HD2 LYS 14 -17.869 10.656 3.453 8 HD3 LYS 14 HD3 LYS 14 -16.300 11.205 2.868 9 HE2 LYS 14 HE2 LYS 14 -17.965 11.968 1.363 10 HE3 LYS 14 HE3 LYS 14 -17.056 10.690 0.566 11 HZ1 LYS 14 HZ1 LYS 14 -19.719 10.376 1.845 12 HZ2 LYS 14 HZ2 LYS 14 -19.429 10.481 0.179 13 HZ3 LYS 14 HZ3 LYS 14 -18.853 9.155 1.056 No H/Q in entry = 13 In of MODEL 21 1 H SER 15 H SER 15 -14.491 9.912 -1.162 2 HA SER 15 HA SER 15 -12.510 7.772 -1.491 3 HB2 SER 15 HB2 SER 15 -13.300 9.058 -3.578 4 HB3 SER 15 HB3 SER 15 -12.337 10.377 -2.943 5 HG SER 15 HG SER 15 -10.738 9.473 -3.884 No H/Q in entry = 5 In of MODEL 21 1 H ASN 16 H ASN 16 -10.413 8.085 -0.879 2 HA ASN 16 HA ASN 16 -9.695 10.426 0.639 3 HB2 ASN 16 HB2 ASN 16 -9.532 7.740 2.047 4 HB3 ASN 16 HB3 ASN 16 -9.126 9.311 2.710 5 HD21 ASN 16 HD21 ASN 16 -10.471 9.556 4.353 6 HD22 ASN 16 HD22 ASN 16 -12.187 9.401 4.293 No H/Q in entry = 6 In of MODEL 21 1 H PHE 17 H PHE 17 -7.738 8.063 1.751 2 HA PHE 17 HA PHE 17 -6.320 7.503 -0.723 3 HB2 PHE 17 HB2 PHE 17 -5.255 9.225 1.472 4 HB3 PHE 17 HB3 PHE 17 -4.141 8.177 0.597 5 HD1 PHE 17 HD1 PHE 17 -5.371 8.332 -2.108 6 HD2 PHE 17 HD2 PHE 17 -4.578 11.355 0.779 7 HE1 PHE 17 HE1 PHE 17 -5.178 9.998 -3.912 8 HE2 PHE 17 HE2 PHE 17 -4.398 13.029 -1.018 9 HZ PHE 17 HZ PHE 17 -4.694 12.352 -3.363 No H/Q in entry = 9 In of MODEL 21 1 H LEU 18 H LEU 18 -5.538 5.451 -0.714 2 HA LEU 18 HA LEU 18 -5.670 3.983 1.808 3 HB2 LEU 18 HB2 LEU 18 -6.579 2.764 -0.034 4 HB3 LEU 18 HB3 LEU 18 -5.169 3.081 -1.027 5 HG LEU 18 HG LEU 18 -3.819 1.542 0.292 6 HD11 LEU 18 HD11 LEU 18 -6.274 1.227 2.021 7 HD12 LEU 18 HD12 LEU 18 -4.865 0.169 2.075 8 HD13 LEU 18 HD13 LEU 18 -4.706 1.870 2.505 9 HD21 LEU 18 HD21 LEU 18 -6.495 0.377 -0.472 10 HD22 LEU 18 HD22 LEU 18 -5.085 0.563 -1.515 11 HD23 LEU 18 HD23 LEU 18 -5.034 -0.557 -0.156 No H/Q in entry = 11 In of MODEL 21 1 H ASN 19 H ASN 19 -4.004 3.722 3.079 2 HA ASN 19 HA ASN 19 -1.361 4.498 2.049 3 HB2 ASN 19 HB2 ASN 19 -2.629 4.806 4.769 4 HB3 ASN 19 HB3 ASN 19 -0.880 4.896 4.562 5 HD21 ASN 19 HD21 ASN 19 -2.643 6.943 5.496 6 HD22 ASN 19 HD22 ASN 19 -2.512 8.263 4.390 No H/Q in entry = 6 In of MODEL 21 1 H CYS 20 H CYS 20 -0.033 2.869 1.696 2 HA CYS 20 HA CYS 20 -0.121 0.495 3.455 3 HB2 CYS 20 HB2 CYS 20 -0.463 -0.217 1.215 4 HB3 CYS 20 HB3 CYS 20 0.732 0.917 0.569 No H/Q in entry = 4 In of MODEL 21 1 H TYR 21 H TYR 21 1.500 0.519 4.970 2 HA TYR 21 HA TYR 21 3.901 2.093 4.425 3 HB2 TYR 21 HB2 TYR 21 3.198 0.579 6.947 4 HB3 TYR 21 HB3 TYR 21 4.493 1.746 6.756 5 HD1 TYR 21 HD1 TYR 21 0.952 1.263 7.336 6 HD2 TYR 21 HD2 TYR 21 3.984 4.142 6.572 7 HE1 TYR 21 HE1 TYR 21 -0.575 3.058 8.057 8 HE2 TYR 21 HE2 TYR 21 2.469 5.945 7.286 9 HH TYR 21 HH TYR 21 0.085 6.370 7.512 No H/Q in entry = 9 In of MODEL 21 1 H VAL 22 H VAL 22 5.787 1.246 3.879 2 HA VAL 22 HA VAL 22 6.242 -1.628 4.316 3 HB VAL 22 HB VAL 22 7.023 -0.030 1.836 4 HG11 VAL 22 HG11 VAL 22 8.641 -1.791 2.503 5 HG12 VAL 22 HG12 VAL 22 7.349 -2.989 2.380 6 HG13 VAL 22 HG13 VAL 22 7.876 -2.104 0.945 7 HG21 VAL 22 HG21 VAL 22 4.633 -0.529 1.859 8 HG22 VAL 22 HG22 VAL 22 5.464 -1.467 0.616 9 HG23 VAL 22 HG23 VAL 22 4.976 -2.238 2.129 No H/Q in entry = 9 In of MODEL 21 1 H SER 23 H SER 23 7.859 -1.545 5.879 2 HA SER 23 HA SER 23 9.842 0.616 5.605 3 HB2 SER 23 HB2 SER 23 8.148 0.923 7.444 4 HB3 SER 23 HB3 SER 23 8.835 -0.500 8.224 5 HG SER 23 HG SER 23 9.918 1.175 9.097 No H/Q in entry = 5 In of MODEL 21 1 H GLY 24 H GLY 24 11.960 0.234 6.211 2 HA2 GLY 24 HA2 GLY 24 12.721 -2.461 7.088 3 HA3 GLY 24 HA3 GLY 24 13.744 -1.034 7.114 No H/Q in entry = 3 In of MODEL 21 1 H PHE 25 H PHE 25 12.081 -1.299 4.224 2 HA PHE 25 HA PHE 25 14.090 -3.005 2.961 3 HB2 PHE 25 HB2 PHE 25 11.480 -1.912 1.892 4 HB3 PHE 25 HB3 PHE 25 12.538 -3.046 1.052 5 HD1 PHE 25 HD1 PHE 25 12.675 -5.372 1.717 6 HD2 PHE 25 HD2 PHE 25 10.168 -2.659 3.846 7 HE1 PHE 25 HE1 PHE 25 11.579 -7.276 2.845 8 HE2 PHE 25 HE2 PHE 25 9.066 -4.561 4.981 9 HZ PHE 25 HZ PHE 25 9.764 -6.859 4.453 No H/Q in entry = 9 In of MODEL 21 1 H HIS 26 H HIS 26 15.137 -2.384 1.027 2 HA HIS 26 HA HIS 26 15.869 0.417 0.957 3 HB2 HIS 26 HB2 HIS 26 16.776 -1.849 -0.839 4 HB3 HIS 26 HB3 HIS 26 17.547 -0.272 -0.675 5 HD2 HIS 26 HD2 HIS 26 18.108 -0.001 2.399 6 HE1 HIS 26 HE1 HIS 26 19.607 -3.952 2.204 7 HE2 HIS 26 HE2 HIS 26 19.326 -1.905 3.677 No H/Q in entry = 7 In of MODEL 21 1 HA PRO 27 HA PRO 27 12.318 1.287 -1.652 2 HB2 PRO 27 HB2 PRO 27 14.102 3.633 -2.211 3 HB3 PRO 27 HB3 PRO 27 12.363 3.605 -1.890 4 HG2 PRO 27 HG2 PRO 27 14.025 4.289 0.040 5 HG3 PRO 27 HG3 PRO 27 12.653 3.203 0.384 6 HD2 PRO 27 HD2 PRO 27 15.571 2.564 0.111 7 HD3 PRO 27 HD3 PRO 27 14.349 1.839 1.182 No H/Q in entry = 7 In of MODEL 21 1 H SER 28 H SER 28 15.612 1.182 -2.773 2 HA SER 28 HA SER 28 14.978 1.684 -5.503 3 HB2 SER 28 HB2 SER 28 17.150 2.299 -4.531 4 HB3 SER 28 HB3 SER 28 17.519 0.591 -4.277 5 HG SER 28 HG SER 28 16.796 1.431 -6.851 No H/Q in entry = 5 In of MODEL 21 1 H ASP 29 H ASP 29 15.520 -1.316 -3.608 2 HA ASP 29 HA ASP 29 15.083 -2.817 -6.109 3 HB2 ASP 29 HB2 ASP 29 16.294 -3.881 -3.548 4 HB3 ASP 29 HB3 ASP 29 16.236 -4.688 -5.107 No H/Q in entry = 4 In of MODEL 21 1 H ILE 30 H ILE 30 12.780 -1.802 -4.597 2 HA ILE 30 HA ILE 30 11.657 -4.462 -3.993 3 HB ILE 30 HB ILE 30 10.609 -3.843 -2.077 4 HG12 ILE 30 HG12 ILE 30 10.547 -0.935 -2.955 5 HG13 ILE 30 HG13 ILE 30 9.219 -2.085 -3.077 6 HG21 ILE 30 HG21 ILE 30 12.903 -1.907 -2.154 7 HG22 ILE 30 HG22 ILE 30 11.987 -2.305 -0.701 8 HG23 ILE 30 HG23 ILE 30 12.906 -3.557 -1.535 9 HD11 ILE 30 HD11 ILE 30 9.143 -2.276 -0.655 10 HD12 ILE 30 HD12 ILE 30 10.489 -1.143 -0.519 11 HD13 ILE 30 HD13 ILE 30 8.944 -0.605 -1.175 No H/Q in entry = 11 In of MODEL 21 1 H GLU 31 H GLU 31 9.282 -4.552 -4.110 2 HA GLU 31 HA GLU 31 8.119 -2.678 -6.053 3 HB2 GLU 31 HB2 GLU 31 8.116 -5.694 -6.186 4 HB3 GLU 31 HB3 GLU 31 6.931 -4.711 -7.035 5 HG2 GLU 31 HG2 GLU 31 8.631 -3.664 -8.358 6 HG3 GLU 31 HG3 GLU 31 9.913 -4.432 -7.423 No H/Q in entry = 6 In of MODEL 21 1 H VAL 32 H VAL 32 6.403 -1.799 -5.138 2 HA VAL 32 HA VAL 32 4.610 -3.483 -3.527 3 HB VAL 32 HB VAL 32 5.224 -2.335 -1.689 4 HG11 VAL 32 HG11 VAL 32 7.196 -1.451 -2.874 5 HG12 VAL 32 HG12 VAL 32 6.240 -0.061 -3.381 6 HG13 VAL 32 HG13 VAL 32 6.560 -0.335 -1.666 7 HG21 VAL 32 HG21 VAL 32 3.716 -0.102 -3.041 8 HG22 VAL 32 HG22 VAL 32 3.042 -1.359 -2.003 9 HG23 VAL 32 HG23 VAL 32 4.135 -0.151 -1.329 No H/Q in entry = 9 In of MODEL 21 1 H ASP 33 H ASP 33 2.474 -3.298 -3.969 2 HA ASP 33 HA ASP 33 1.572 -1.083 -5.676 3 HB2 ASP 33 HB2 ASP 33 1.067 -4.046 -6.256 4 HB3 ASP 33 HB3 ASP 33 0.254 -2.712 -7.081 No H/Q in entry = 4 In of MODEL 21 1 H LEU 34 H LEU 34 -0.787 -0.869 -5.657 2 HA LEU 34 HA LEU 34 -1.935 -1.808 -3.108 3 HB2 LEU 34 HB2 LEU 34 -2.288 0.719 -4.662 4 HB3 LEU 34 HB3 LEU 34 -3.644 0.140 -3.719 5 HG LEU 34 HG LEU 34 -2.161 0.154 -1.692 6 HD11 LEU 34 HD11 LEU 34 0.007 0.085 -2.805 7 HD12 LEU 34 HD12 LEU 34 -0.284 1.689 -3.482 8 HD13 LEU 34 HD13 LEU 34 -0.128 1.477 -1.734 9 HD21 LEU 34 HD21 LEU 34 -3.749 1.947 -2.160 10 HD22 LEU 34 HD22 LEU 34 -2.306 2.537 -1.334 11 HD23 LEU 34 HD23 LEU 34 -2.505 2.807 -3.065 No H/Q in entry = 11 In of MODEL 21 1 H LEU 35 H LEU 35 -3.654 -3.161 -3.154 2 HA LEU 35 HA LEU 35 -4.732 -3.844 -5.820 3 HB2 LEU 35 HB2 LEU 35 -4.275 -5.753 -3.526 4 HB3 LEU 35 HB3 LEU 35 -4.807 -6.150 -5.143 5 HG LEU 35 HG LEU 35 -2.058 -5.414 -4.193 6 HD11 LEU 35 HD11 LEU 35 -3.300 -7.663 -5.774 7 HD12 LEU 35 HD12 LEU 35 -1.564 -7.457 -5.578 8 HD13 LEU 35 HD13 LEU 35 -2.581 -7.743 -4.165 9 HD21 LEU 35 HD21 LEU 35 -2.650 -4.033 -6.233 10 HD22 LEU 35 HD22 LEU 35 -1.266 -5.112 -6.398 11 HD23 LEU 35 HD23 LEU 35 -2.818 -5.558 -7.105 No H/Q in entry = 11 In of MODEL 21 1 H LYS 36 H LYS 36 -6.743 -5.075 -5.806 2 HA LYS 36 HA LYS 36 -8.493 -4.747 -3.466 3 HB2 LYS 36 HB2 LYS 36 -9.588 -5.145 -6.228 4 HB3 LYS 36 HB3 LYS 36 -10.331 -4.331 -4.834 5 HG2 LYS 36 HG2 LYS 36 -8.832 -2.440 -5.162 6 HG3 LYS 36 HG3 LYS 36 -8.013 -3.287 -6.457 7 HD2 LYS 36 HD2 LYS 36 -9.666 -1.501 -7.225 8 HD3 LYS 36 HD3 LYS 36 -9.798 -3.077 -7.983 9 HE2 LYS 36 HE2 LYS 36 -11.746 -3.473 -6.258 10 HE3 LYS 36 HE3 LYS 36 -11.736 -1.713 -6.088 11 HZ1 LYS 36 HZ1 LYS 36 -11.914 -1.619 -8.553 12 HZ2 LYS 36 HZ2 LYS 36 -12.196 -3.290 -8.548 13 HZ3 LYS 36 HZ3 LYS 36 -13.271 -2.242 -7.754 No H/Q in entry = 13 In of MODEL 21 1 H ASN 37 H ASN 37 -8.483 -6.805 -2.575 2 HA ASN 37 HA ASN 37 -8.371 -9.105 -2.470 3 HB2 ASN 37 HB2 ASN 37 -10.282 -9.174 -4.748 4 HB3 ASN 37 HB3 ASN 37 -10.365 -10.105 -3.288 5 HD21 ASN 37 HD21 ASN 37 -10.761 -6.896 -4.660 6 HD22 ASN 37 HD22 ASN 37 -11.964 -6.343 -3.557 No H/Q in entry = 6 In of MODEL 21 1 H GLY 38 H GLY 38 -6.211 -8.319 -3.837 2 HA2 GLY 38 HA2 GLY 38 -5.730 -10.506 -5.606 3 HA3 GLY 38 HA3 GLY 38 -4.589 -9.245 -5.209 No H/Q in entry = 3 In of MODEL 21 1 H GLU 39 H GLU 39 -6.490 -7.126 -6.209 2 HA GLU 39 HA GLU 39 -6.037 -7.574 -9.077 3 HB2 GLU 39 HB2 GLU 39 -8.433 -7.918 -8.625 4 HB3 GLU 39 HB3 GLU 39 -8.520 -6.346 -7.849 5 HG2 GLU 39 HG2 GLU 39 -9.456 -6.209 -10.064 6 HG3 GLU 39 HG3 GLU 39 -7.962 -5.272 -9.990 No H/Q in entry = 6 In of MODEL 21 1 H ARG 40 H ARG 40 -4.610 -6.107 -9.718 2 HA ARG 40 HA ARG 40 -3.698 -3.946 -8.238 3 HB2 ARG 40 HB2 ARG 40 -2.959 -5.153 -10.613 4 HB3 ARG 40 HB3 ARG 40 -3.471 -3.565 -11.160 5 HG2 ARG 40 HG2 ARG 40 -1.891 -2.542 -9.553 6 HG3 ARG 40 HG3 ARG 40 -1.340 -4.157 -9.107 7 HD2 ARG 40 HD2 ARG 40 0.267 -3.534 -10.640 8 HD3 ARG 40 HD3 ARG 40 -0.857 -4.388 -11.696 9 HE ARG 40 HE ARG 40 -1.687 -2.217 -12.419 10 HH11 ARG 40 HH11 ARG 40 1.308 -2.215 -10.590 11 HH12 ARG 40 HH12 ARG 40 1.914 -0.765 -11.332 12 HH21 ARG 40 HH21 ARG 40 -0.915 -0.284 -13.374 13 HH22 ARG 40 HH22 ARG 40 0.654 0.337 -12.921 No H/Q in entry = 13 In of MODEL 21 1 H ILE 41 H ILE 41 -4.610 -2.130 -7.672 2 HA ILE 41 HA ILE 41 -7.048 -1.149 -8.647 3 HB ILE 41 HB ILE 41 -4.899 0.274 -7.073 4 HG12 ILE 41 HG12 ILE 41 -7.396 -1.153 -6.154 5 HG13 ILE 41 HG13 ILE 41 -5.768 -1.815 -6.058 6 HG21 ILE 41 HG21 ILE 41 -7.798 1.005 -7.508 7 HG22 ILE 41 HG22 ILE 41 -6.741 1.762 -6.319 8 HG23 ILE 41 HG23 ILE 41 -6.387 1.917 -8.038 9 HD11 ILE 41 HD11 ILE 41 -6.448 0.754 -4.713 10 HD12 ILE 41 HD12 ILE 41 -6.832 -0.806 -3.976 11 HD13 ILE 41 HD13 ILE 41 -5.154 -0.398 -4.368 No H/Q in entry = 11 In of MODEL 21 1 H GLU 42 H GLU 42 -4.056 0.752 -8.749 2 HA GLU 42 HA GLU 42 -2.738 0.661 -10.842 3 HB2 GLU 42 HB2 GLU 42 -5.421 1.338 -12.053 4 HB3 GLU 42 HB3 GLU 42 -3.894 1.586 -12.881 5 HG2 GLU 42 HG2 GLU 42 -4.482 -1.131 -11.804 6 HG3 GLU 42 HG3 GLU 42 -5.292 -0.587 -13.267 No H/Q in entry = 6 In of MODEL 21 1 H LYS 43 H LYS 43 -5.091 2.929 -9.514 2 HA LYS 43 HA LYS 43 -3.736 5.210 -10.664 3 HB2 LYS 43 HB2 LYS 43 -5.788 5.251 -8.443 4 HB3 LYS 43 HB3 LYS 43 -5.367 6.547 -9.549 5 HG2 LYS 43 HG2 LYS 43 -7.019 4.089 -10.099 6 HG3 LYS 43 HG3 LYS 43 -7.468 5.790 -10.272 7 HD2 LYS 43 HD2 LYS 43 -5.511 4.249 -11.981 8 HD3 LYS 43 HD3 LYS 43 -7.109 4.820 -12.459 9 HE2 LYS 43 HE2 LYS 43 -6.346 7.141 -12.160 10 HE3 LYS 43 HE3 LYS 43 -4.749 6.547 -11.712 11 HZ1 LYS 43 HZ1 LYS 43 -4.660 5.476 -13.946 12 HZ2 LYS 43 HZ2 LYS 43 -6.086 6.294 -14.352 13 HZ3 LYS 43 HZ3 LYS 43 -4.679 7.172 -13.986 No H/Q in entry = 13 In of MODEL 21 1 H VAL 44 H VAL 44 -1.754 4.031 -9.493 2 HA VAL 44 HA VAL 44 -1.467 5.332 -6.880 3 HB VAL 44 HB VAL 44 -1.469 2.541 -7.265 4 HG11 VAL 44 HG11 VAL 44 1.310 3.504 -6.671 5 HG12 VAL 44 HG12 VAL 44 0.745 1.843 -6.518 6 HG13 VAL 44 HG13 VAL 44 0.810 2.612 -8.106 7 HG21 VAL 44 HG21 VAL 44 -2.120 3.711 -5.246 8 HG22 VAL 44 HG22 VAL 44 -0.930 2.459 -4.897 9 HG23 VAL 44 HG23 VAL 44 -0.438 4.153 -4.950 No H/Q in entry = 9 In of MODEL 21 1 H GLU 45 H GLU 45 0.265 6.572 -6.722 2 HA GLU 45 HA GLU 45 2.510 6.192 -8.561 3 HB2 GLU 45 HB2 GLU 45 0.930 8.777 -8.457 4 HB3 GLU 45 HB3 GLU 45 2.473 8.585 -9.264 5 HG2 GLU 45 HG2 GLU 45 1.468 7.058 -10.879 6 HG3 GLU 45 HG3 GLU 45 -0.077 7.155 -10.029 No H/Q in entry = 6 In of MODEL 21 1 H HIS 46 H HIS 46 4.128 6.048 -7.121 2 HA HIS 46 HA HIS 46 4.880 8.554 -5.919 3 HB2 HIS 46 HB2 HIS 46 3.648 7.151 -4.138 4 HB3 HIS 46 HB3 HIS 46 5.028 6.064 -4.210 5 HD2 HIS 46 HD2 HIS 46 7.554 7.414 -3.475 6 HE1 HIS 46 HE1 HIS 46 5.465 10.286 -1.179 7 HE2 HIS 46 HE2 HIS 46 7.701 9.156 -1.558 No H/Q in entry = 7 In of MODEL 21 1 H SER 47 H SER 47 7.075 8.790 -6.144 2 HA SER 47 HA SER 47 8.228 6.752 -7.841 3 HB2 SER 47 HB2 SER 47 9.170 9.551 -7.193 4 HB3 SER 47 HB3 SER 47 9.846 8.501 -8.442 5 HG SER 47 HG SER 47 7.867 8.550 -9.518 No H/Q in entry = 5 In of MODEL 21 1 H ASP 48 H ASP 48 9.850 5.505 -7.440 2 HA ASP 48 HA ASP 48 10.854 5.232 -4.768 3 HB2 ASP 48 HB2 ASP 48 11.923 3.233 -5.553 4 HB3 ASP 48 HB3 ASP 48 10.333 3.295 -6.307 No H/Q in entry = 4 In of MODEL 21 1 H LEU 49 H LEU 49 13.236 4.934 -4.422 2 HA LEU 49 HA LEU 49 14.923 6.534 -6.112 3 HB2 LEU 49 HB2 LEU 49 15.649 8.060 -4.274 4 HB3 LEU 49 HB3 LEU 49 14.027 8.344 -4.864 5 HG LEU 49 HG LEU 49 14.097 8.738 -2.496 6 HD11 LEU 49 HD11 LEU 49 12.021 7.765 -3.309 7 HD12 LEU 49 HD12 LEU 49 12.624 6.149 -2.925 8 HD13 LEU 49 HD13 LEU 49 12.356 7.318 -1.637 9 HD21 LEU 49 HD21 LEU 49 15.184 5.956 -2.174 10 HD22 LEU 49 HD22 LEU 49 15.960 7.481 -1.738 11 HD23 LEU 49 HD23 LEU 49 14.537 6.928 -0.855 No H/Q in entry = 11 In of MODEL 21 1 H SER 50 H SER 50 16.765 5.427 -6.301 2 HA SER 50 HA SER 50 17.624 3.471 -4.496 3 HB2 SER 50 HB2 SER 50 18.175 3.748 -6.982 4 HB3 SER 50 HB3 SER 50 19.380 4.931 -6.472 5 HG SER 50 HG SER 50 19.314 2.157 -6.118 No H/Q in entry = 5 In of MODEL 21 1 H PHE 51 H PHE 51 17.459 6.623 -3.852 2 HA PHE 51 HA PHE 51 20.177 6.884 -2.767 3 HB2 PHE 51 HB2 PHE 51 18.196 9.078 -3.418 4 HB3 PHE 51 HB3 PHE 51 19.864 9.298 -2.895 5 HD1 PHE 51 HD1 PHE 51 17.701 9.011 -5.678 6 HD2 PHE 51 HD2 PHE 51 21.685 8.237 -4.396 7 HE1 PHE 51 HE1 PHE 51 18.436 8.927 -8.025 8 HE2 PHE 51 HE2 PHE 51 22.427 8.154 -6.739 9 HZ PHE 51 HZ PHE 51 20.802 8.499 -8.557 No H/Q in entry = 9 In of MODEL 21 1 H SER 52 H SER 52 18.379 5.343 -1.384 2 HA SER 52 HA SER 52 16.987 6.840 0.601 3 HB2 SER 52 HB2 SER 52 17.026 4.493 1.754 4 HB3 SER 52 HB3 SER 52 16.087 4.721 0.280 5 HG SER 52 HG SER 52 18.737 3.689 0.400 No H/Q in entry = 5 In of MODEL 21 1 H LYS 53 H LYS 53 18.398 8.258 1.563 2 HA LYS 53 HA LYS 53 20.655 7.145 3.065 3 HB2 LYS 53 HB2 LYS 53 20.913 9.185 1.575 4 HB3 LYS 53 HB3 LYS 53 19.898 10.051 2.718 5 HG2 LYS 53 HG2 LYS 53 22.221 10.526 3.137 6 HG3 LYS 53 HG3 LYS 53 21.542 9.612 4.485 7 HD2 LYS 53 HD2 LYS 53 23.794 8.826 3.838 8 HD3 LYS 53 HD3 LYS 53 22.563 7.574 3.663 9 HE2 LYS 53 HE2 LYS 53 22.474 7.940 1.279 10 HE3 LYS 53 HE3 LYS 53 23.582 9.304 1.412 11 HZ1 LYS 53 HZ1 LYS 53 24.308 6.535 2.194 12 HZ2 LYS 53 HZ2 LYS 53 24.605 7.177 0.652 13 HZ3 LYS 53 HZ3 LYS 53 25.344 7.864 2.017 No H/Q in entry = 13 In of MODEL 21 1 H ASP 54 H ASP 54 20.357 6.645 5.115 2 HA ASP 54 HA ASP 54 19.419 6.431 7.201 3 HB2 ASP 54 HB2 ASP 54 19.972 8.995 7.097 4 HB3 ASP 54 HB3 ASP 54 18.236 9.194 6.913 No H/Q in entry = 4 In of MODEL 21 1 H TRP 55 H TRP 55 16.902 7.546 8.131 2 HA TRP 55 HA TRP 55 14.984 6.821 6.060 3 HB2 TRP 55 HB2 TRP 55 15.551 4.800 7.612 4 HB3 TRP 55 HB3 TRP 55 14.571 5.659 8.801 5 HD1 TRP 55 HD1 TRP 55 11.955 6.250 7.966 6 HE1 TRP 55 HE1 TRP 55 10.410 4.862 6.450 7 HE3 TRP 55 HE3 TRP 55 15.433 3.076 5.818 8 HZ2 TRP 55 HZ2 TRP 55 10.584 2.721 4.659 9 HZ3 TRP 55 HZ3 TRP 55 14.618 1.397 4.227 10 HH2 TRP 55 HH2 TRP 55 12.255 1.214 3.657 No H/Q in entry = 10 In of MODEL 21 1 H SER 56 H SER 56 14.857 9.166 6.178 2 HA SER 56 HA SER 56 13.167 10.082 8.411 3 HB2 SER 56 HB2 SER 56 13.955 12.393 7.594 4 HB3 SER 56 HB3 SER 56 15.145 11.379 8.413 5 HG SER 56 HG SER 56 15.308 12.426 5.989 No H/Q in entry = 5 In of MODEL 21 1 H PHE 57 H PHE 57 12.851 8.899 5.475 2 HA PHE 57 HA PHE 57 10.874 10.864 4.521 3 HB2 PHE 57 HB2 PHE 57 11.237 9.126 2.422 4 HB3 PHE 57 HB3 PHE 57 12.052 10.676 2.607 5 HD1 PHE 57 HD1 PHE 57 12.503 7.205 3.952 6 HD2 PHE 57 HD2 PHE 57 14.284 10.614 2.123 7 HE1 PHE 57 HE1 PHE 57 14.679 6.060 3.941 8 HE2 PHE 57 HE2 PHE 57 16.462 9.466 2.101 9 HZ PHE 57 HZ PHE 57 16.657 7.189 3.008 No H/Q in entry = 9 In of MODEL 21 1 H TYR 58 H TYR 58 11.423 7.390 4.997 2 HA TYR 58 HA TYR 58 10.010 5.671 5.443 3 HB2 TYR 58 HB2 TYR 58 8.923 7.570 6.856 4 HB3 TYR 58 HB3 TYR 58 7.691 7.598 5.603 5 HD1 TYR 58 HD1 TYR 58 6.058 7.046 7.455 6 HD2 TYR 58 HD2 TYR 58 9.165 4.355 6.329 7 HE1 TYR 58 HE1 TYR 58 4.896 5.212 8.645 8 HE2 TYR 58 HE2 TYR 58 8.013 2.522 7.506 9 HH TYR 58 HH TYR 58 6.394 2.255 9.346 No H/Q in entry = 9 In of MODEL 21 1 H LEU 59 H LEU 59 8.635 4.231 4.244 2 HA LEU 59 HA LEU 59 8.218 5.145 1.490 3 HB2 LEU 59 HB2 LEU 59 8.669 2.527 2.828 4 HB3 LEU 59 HB3 LEU 59 7.667 2.513 1.397 5 HG LEU 59 HG LEU 59 10.464 3.639 1.405 6 HD11 LEU 59 HD11 LEU 59 9.530 0.848 0.738 7 HD12 LEU 59 HD12 LEU 59 11.134 1.484 0.398 8 HD13 LEU 59 HD13 LEU 59 10.597 1.304 2.068 9 HD21 LEU 59 HD21 LEU 59 8.520 2.802 -0.736 10 HD22 LEU 59 HD22 LEU 59 9.204 4.405 -0.469 11 HD23 LEU 59 HD23 LEU 59 10.233 3.093 -1.041 No H/Q in entry = 11 In of MODEL 21 1 H LEU 60 H LEU 60 6.234 5.734 0.936 2 HA LEU 60 HA LEU 60 3.964 4.059 1.610 3 HB2 LEU 60 HB2 LEU 60 3.938 5.684 3.378 4 HB3 LEU 60 HB3 LEU 60 4.226 6.990 2.251 5 HG LEU 60 HG LEU 60 1.979 6.674 1.307 6 HD11 LEU 60 HD11 LEU 60 1.712 4.295 1.753 7 HD12 LEU 60 HD12 LEU 60 1.655 4.621 3.483 8 HD13 LEU 60 HD13 LEU 60 0.375 5.221 2.432 9 HD21 LEU 60 HD21 LEU 60 2.318 8.273 3.113 10 HD22 LEU 60 HD22 LEU 60 0.726 7.523 3.222 11 HD23 LEU 60 HD23 LEU 60 2.022 7.005 4.302 No H/Q in entry = 11 In of MODEL 21 1 H TYR 61 H TYR 61 2.307 4.220 0.085 2 HA TYR 61 HA TYR 61 2.756 5.976 -2.250 3 HB2 TYR 61 HB2 TYR 61 1.940 3.031 -2.218 4 HB3 TYR 61 HB3 TYR 61 1.781 4.064 -3.648 5 HD1 TYR 61 HD1 TYR 61 4.378 2.952 -1.168 6 HD2 TYR 61 HD2 TYR 61 3.542 4.166 -5.162 7 HE1 TYR 61 HE1 TYR 61 6.715 2.477 -1.809 8 HE2 TYR 61 HE2 TYR 61 5.864 3.686 -5.808 9 HH TYR 61 HH TYR 61 8.055 3.483 -4.767 No H/Q in entry = 9 In of MODEL 21 1 H TYR 62 H TYR 62 0.606 6.363 -3.461 2 HA TYR 62 HA TYR 62 -1.655 6.067 -1.628 3 HB2 TYR 62 HB2 TYR 62 -2.301 8.501 -2.303 4 HB3 TYR 62 HB3 TYR 62 -1.171 8.210 -0.992 5 HD1 TYR 62 HD1 TYR 62 1.026 9.083 -1.069 6 HD2 TYR 62 HD2 TYR 62 -1.382 9.204 -4.572 7 HE1 TYR 62 HE1 TYR 62 2.666 10.565 -2.137 8 HE2 TYR 62 HE2 TYR 62 0.257 10.684 -5.648 9 HH TYR 62 HH TYR 62 3.369 11.200 -4.353 No H/Q in entry = 9 In of MODEL 21 1 H THR 63 H THR 63 -3.617 5.723 -2.533 2 HA THR 63 HA THR 63 -4.009 6.275 -5.387 3 HB THR 63 HB THR 63 -3.350 3.805 -4.987 4 HG1 THR 63 HG1 THR 63 -4.558 4.815 -6.834 5 HG21 THR 63 HG21 THR 63 -4.909 3.490 -3.027 6 HG22 THR 63 HG22 THR 63 -6.241 3.585 -4.178 7 HG23 THR 63 HG23 THR 63 -5.062 2.286 -4.307 No H/Q in entry = 7 In of MODEL 21 1 H GLU 64 H GLU 64 -5.963 7.098 -5.826 2 HA GLU 64 HA GLU 64 -7.833 7.936 -3.958 3 HB2 GLU 64 HB2 GLU 64 -7.392 8.473 -6.525 4 HB3 GLU 64 HB3 GLU 64 -8.609 7.234 -6.778 5 HG2 GLU 64 HG2 GLU 64 -9.728 9.315 -6.859 6 HG3 GLU 64 HG3 GLU 64 -10.165 8.548 -5.333 No H/Q in entry = 6 In of MODEL 21 1 H PHE 65 H PHE 65 -9.649 6.918 -2.963 2 HA PHE 65 HA PHE 65 -10.431 4.348 -4.099 3 HB2 PHE 65 HB2 PHE 65 -10.217 3.171 -2.064 4 HB3 PHE 65 HB3 PHE 65 -8.764 4.115 -2.259 5 HD1 PHE 65 HD1 PHE 65 -7.875 4.604 -0.246 6 HD2 PHE 65 HD2 PHE 65 -12.082 4.986 -0.752 7 HE1 PHE 65 HE1 PHE 65 -8.080 5.465 2.058 8 HE2 PHE 65 HE2 PHE 65 -12.280 5.863 1.544 9 HZ PHE 65 HZ PHE 65 -10.288 6.098 2.952 No H/Q in entry = 9 In of MODEL 21 1 H THR 66 H THR 66 -12.514 3.565 -3.575 2 HA THR 66 HA THR 66 -14.035 5.207 -1.667 3 HB THR 66 HB THR 66 -15.231 4.103 -4.225 4 HG1 THR 66 HG1 THR 66 -13.760 6.381 -3.745 5 HG21 THR 66 HG21 THR 66 -16.212 6.032 -2.116 6 HG22 THR 66 HG22 THR 66 -17.029 5.734 -3.657 7 HG23 THR 66 HG23 THR 66 -16.857 4.430 -2.487 No H/Q in entry = 7 In of MODEL 21 1 HA PRO 67 HA PRO 67 -14.295 0.904 -0.289 2 HB2 PRO 67 HB2 PRO 67 -15.378 1.491 2.211 3 HB3 PRO 67 HB3 PRO 67 -13.662 1.290 1.842 4 HG2 PRO 67 HG2 PRO 67 -15.101 3.723 2.485 5 HG3 PRO 67 HG3 PRO 67 -13.359 3.461 2.335 6 HD2 PRO 67 HD2 PRO 67 -15.123 4.775 0.524 7 HD3 PRO 67 HD3 PRO 67 -13.378 4.522 0.358 No H/Q in entry = 7 In of MODEL 21 1 H THR 68 H THR 68 -15.739 -0.537 -0.218 2 HA THR 68 HA THR 68 -18.578 0.149 -0.035 3 HB THR 68 HB THR 68 -19.040 -1.525 -1.824 4 HG1 THR 68 HG1 THR 68 -16.635 -1.601 -2.991 5 HG21 THR 68 HG21 THR 68 -17.198 0.722 -2.663 6 HG22 THR 68 HG22 THR 68 -18.244 -0.190 -3.753 7 HG23 THR 68 HG23 THR 68 -18.949 0.811 -2.481 No H/Q in entry = 7 In of MODEL 21 1 H GLU 69 H GLU 69 -19.841 -1.710 0.760 2 HA GLU 69 HA GLU 69 -18.473 -3.217 2.700 3 HB2 GLU 69 HB2 GLU 69 -20.701 -2.884 3.243 4 HB3 GLU 69 HB3 GLU 69 -21.273 -3.127 1.607 5 HG2 GLU 69 HG2 GLU 69 -20.557 -5.620 2.092 6 HG3 GLU 69 HG3 GLU 69 -20.806 -5.119 3.767 No H/Q in entry = 6 In of MODEL 21 1 H LYS 70 H LYS 70 -18.275 -3.630 -0.570 2 HA LYS 70 HA LYS 70 -18.148 -6.550 -0.389 3 HB2 LYS 70 HB2 LYS 70 -18.742 -4.797 -2.768 4 HB3 LYS 70 HB3 LYS 70 -18.517 -6.532 -2.866 5 HG2 LYS 70 HG2 LYS 70 -20.656 -5.384 -1.090 6 HG3 LYS 70 HG3 LYS 70 -20.908 -5.543 -2.826 7 HD2 LYS 70 HD2 LYS 70 -21.742 -7.552 -2.127 8 HD3 LYS 70 HD3 LYS 70 -20.065 -8.004 -2.404 9 HE2 LYS 70 HE2 LYS 70 -20.546 -8.956 -0.340 10 HE3 LYS 70 HE3 LYS 70 -19.747 -7.458 0.102 11 HZ1 LYS 70 HZ1 LYS 70 -21.916 -6.446 0.475 12 HZ2 LYS 70 HZ2 LYS 70 -22.677 -7.900 0.048 13 HZ3 LYS 70 HZ3 LYS 70 -21.712 -7.827 1.436 No H/Q in entry = 13 In of MODEL 21 1 H ASP 71 H ASP 71 -16.169 -3.752 -1.271 2 HA ASP 71 HA ASP 71 -14.320 -5.604 -2.583 3 HB2 ASP 71 HB2 ASP 71 -15.010 -3.607 -3.889 4 HB3 ASP 71 HB3 ASP 71 -14.261 -2.579 -2.668 No H/Q in entry = 4 In of MODEL 21 1 H GLU 72 H GLU 72 -12.381 -6.027 -1.828 2 HA GLU 72 HA GLU 72 -11.593 -5.089 0.843 3 HB2 GLU 72 HB2 GLU 72 -11.936 -7.447 0.628 4 HB3 GLU 72 HB3 GLU 72 -11.036 -7.527 -0.863 5 HG2 GLU 72 HG2 GLU 72 -9.639 -6.808 1.659 6 HG3 GLU 72 HG3 GLU 72 -10.084 -8.478 1.343 No H/Q in entry = 6 In of MODEL 21 1 H TYR 73 H TYR 73 -9.539 -4.150 1.170 2 HA TYR 73 HA TYR 73 -8.097 -3.449 -1.317 3 HB2 TYR 73 HB2 TYR 73 -8.557 -1.782 1.161 4 HB3 TYR 73 HB3 TYR 73 -7.355 -1.375 -0.047 5 HD1 TYR 73 HD1 TYR 73 -7.957 -0.084 -1.887 6 HD2 TYR 73 HD2 TYR 73 -10.999 -2.012 0.372 7 HE1 TYR 73 HE1 TYR 73 -9.666 1.137 -3.161 8 HE2 TYR 73 HE2 TYR 73 -12.721 -0.801 -0.904 9 HH TYR 73 HH TYR 73 -12.978 1.173 -2.225 No H/Q in entry = 9 In of MODEL 21 1 H ALA 74 H ALA 74 -6.004 -3.956 -1.448 2 HA ALA 74 HA ALA 74 -4.617 -4.859 0.987 3 HB1 ALA 74 HB1 ALA 74 -5.581 -6.755 -0.240 4 HB2 ALA 74 HB2 ALA 74 -3.822 -6.806 -0.181 5 HB3 ALA 74 HB3 ALA 74 -4.640 -6.290 -1.658 No H/Q in entry = 5 In of MODEL 21 1 H CYS 75 H CYS 75 -2.262 -4.950 0.805 2 HA CYS 75 HA CYS 75 -1.189 -3.498 -1.531 3 HB2 CYS 75 HB2 CYS 75 -1.089 -1.979 0.315 4 HB3 CYS 75 HB3 CYS 75 -0.378 -3.201 1.352 No H/Q in entry = 4 In of MODEL 21 1 H ARG 76 H ARG 76 0.353 -4.527 -2.606 2 HA ARG 76 HA ARG 76 1.385 -7.073 -1.534 3 HB2 ARG 76 HB2 ARG 76 0.048 -6.808 -3.735 4 HB3 ARG 76 HB3 ARG 76 1.543 -6.131 -4.381 5 HG2 ARG 76 HG2 ARG 76 2.675 -8.214 -4.094 6 HG3 ARG 76 HG3 ARG 76 1.354 -8.879 -3.129 7 HD2 ARG 76 HD2 ARG 76 1.271 -9.777 -5.442 8 HD3 ARG 76 HD3 ARG 76 -0.137 -8.765 -5.096 9 HE ARG 76 HE ARG 76 1.884 -7.143 -6.198 10 HH11 ARG 76 HH11 ARG 76 -0.259 -9.736 -7.180 11 HH12 ARG 76 HH12 ARG 76 -0.314 -9.227 -8.837 12 HH21 ARG 76 HH21 ARG 76 1.803 -6.469 -8.355 13 HH22 ARG 76 HH22 ARG 76 0.841 -7.339 -9.514 No H/Q in entry = 13 In of MODEL 21 1 H VAL 77 H VAL 77 3.546 -7.221 -1.036 2 HA VAL 77 HA VAL 77 5.375 -5.381 -2.433 3 HB VAL 77 HB VAL 77 4.834 -4.703 0.022 4 HG11 VAL 77 HG11 VAL 77 5.167 -6.906 1.029 5 HG12 VAL 77 HG12 VAL 77 6.855 -6.885 0.520 6 HG13 VAL 77 HG13 VAL 77 6.275 -5.710 1.701 7 HG21 VAL 77 HG21 VAL 77 6.551 -3.681 -1.376 8 HG22 VAL 77 HG22 VAL 77 7.078 -3.826 0.302 9 HG23 VAL 77 HG23 VAL 77 7.684 -4.953 -0.912 No H/Q in entry = 9 In of MODEL 21 1 H ASN 78 H ASN 78 7.250 -6.130 -3.073 2 HA ASN 78 HA ASN 78 8.156 -8.788 -2.154 3 HB2 ASN 78 HB2 ASN 78 6.987 -8.922 -4.407 4 HB3 ASN 78 HB3 ASN 78 8.303 -7.941 -5.056 5 HD21 ASN 78 HD21 ASN 78 8.900 -9.614 -6.452 6 HD22 ASN 78 HD22 ASN 78 9.741 -11.015 -5.876 No H/Q in entry = 6 In of MODEL 21 1 H HIS 79 H HIS 79 10.282 -9.107 -1.986 2 HA HIS 79 HA HIS 79 12.118 -7.008 -2.887 3 HB2 HIS 79 HB2 HIS 79 11.600 -6.725 -0.427 4 HB3 HIS 79 HB3 HIS 79 12.289 -8.314 -0.154 5 HD2 HIS 79 HD2 HIS 79 13.405 -4.674 -0.808 6 HE1 HIS 79 HE1 HIS 79 16.841 -7.058 -0.185 7 HE2 HIS 79 HE2 HIS 79 15.996 -4.728 -0.686 No H/Q in entry = 7 In of MODEL 21 1 H VAL 80 H VAL 80 14.397 -7.829 -2.941 2 HA VAL 80 HA VAL 80 14.694 -10.149 -4.398 3 HB VAL 80 HB VAL 80 16.809 -9.033 -2.543 4 HG11 VAL 80 HG11 VAL 80 17.383 -11.225 -3.445 5 HG12 VAL 80 HG12 VAL 80 17.060 -10.651 -5.082 6 HG13 VAL 80 HG13 VAL 80 18.399 -9.971 -4.159 7 HG21 VAL 80 HG21 VAL 80 16.149 -8.255 -5.381 8 HG22 VAL 80 HG22 VAL 80 15.914 -7.264 -3.942 9 HG23 VAL 80 HG23 VAL 80 17.543 -7.692 -4.461 No H/Q in entry = 9 In of MODEL 21 1 H THR 81 H THR 81 14.556 -9.812 -0.917 2 HA THR 81 HA THR 81 15.693 -12.402 -0.388 3 HB THR 81 HB THR 81 15.992 -10.809 1.345 4 HG1 THR 81 HG1 THR 81 15.340 -13.052 1.940 5 HG21 THR 81 HG21 THR 81 12.983 -10.505 1.448 6 HG22 THR 81 HG22 THR 81 14.128 -9.755 2.561 7 HG23 THR 81 HG23 THR 81 14.131 -9.305 0.855 No H/Q in entry = 7 In of MODEL 21 1 H LEU 82 H LEU 82 12.333 -11.170 0.038 2 HA LEU 82 HA LEU 82 11.135 -13.491 0.846 3 HB2 LEU 82 HB2 LEU 82 9.877 -11.534 -1.072 4 HB3 LEU 82 HB3 LEU 82 9.031 -12.676 -0.039 5 HG LEU 82 HG LEU 82 10.741 -10.452 1.049 6 HD11 LEU 82 HD11 LEU 82 7.788 -10.512 0.501 7 HD12 LEU 82 HD12 LEU 82 8.603 -9.300 1.487 8 HD13 LEU 82 HD13 LEU 82 8.989 -9.444 -0.227 9 HD21 LEU 82 HD21 LEU 82 8.625 -12.202 2.292 10 HD22 LEU 82 HD22 LEU 82 10.363 -12.320 2.567 11 HD23 LEU 82 HD23 LEU 82 9.481 -10.889 3.102 No H/Q in entry = 11 In of MODEL 21 1 H SER 83 H SER 83 11.535 -12.447 -2.511 2 HA SER 83 HA SER 83 11.580 -13.581 -4.476 3 HB2 SER 83 HB2 SER 83 11.281 -16.108 -2.837 4 HB3 SER 83 HB3 SER 83 11.692 -16.029 -4.551 5 HG SER 83 HG SER 83 13.228 -14.907 -2.429 No H/Q in entry = 5 In of MODEL 21 1 H GLN 84 H GLN 84 9.106 -14.347 -2.112 2 HA GLN 84 HA GLN 84 7.153 -14.169 -4.298 3 HB2 GLN 84 HB2 GLN 84 5.628 -15.666 -3.098 4 HB3 GLN 84 HB3 GLN 84 7.157 -16.463 -3.417 5 HG2 GLN 84 HG2 GLN 84 6.600 -15.169 -0.773 6 HG3 GLN 84 HG3 GLN 84 6.025 -16.792 -1.140 7 HE21 GLN 84 HE21 GLN 84 8.379 -17.382 -2.789 8 HE22 GLN 84 HE22 GLN 84 9.668 -17.667 -1.677 No H/Q in entry = 8 In of MODEL 21 1 HA PRO 85 HA PRO 85 6.118 -10.534 -1.856 2 HB2 PRO 85 HB2 PRO 85 3.954 -9.718 -3.289 3 HB3 PRO 85 HB3 PRO 85 5.636 -9.345 -3.707 4 HG2 PRO 85 HG2 PRO 85 3.806 -11.417 -4.852 5 HG3 PRO 85 HG3 PRO 85 5.031 -10.416 -5.669 6 HD2 PRO 85 HD2 PRO 85 5.461 -13.066 -5.017 7 HD3 PRO 85 HD3 PRO 85 6.780 -11.850 -5.098 No H/Q in entry = 7 In of MODEL 21 1 H LYS 86 H LYS 86 4.491 -9.797 -0.505 2 HA LYS 86 HA LYS 86 2.436 -11.808 0.159 3 HB2 LYS 86 HB2 LYS 86 3.509 -9.655 1.998 4 HB3 LYS 86 HB3 LYS 86 2.528 -11.036 2.449 5 HG2 LYS 86 HG2 LYS 86 4.389 -12.542 2.122 6 HG3 LYS 86 HG3 LYS 86 5.354 -11.244 1.425 7 HD2 LYS 86 HD2 LYS 86 6.159 -11.464 3.603 8 HD3 LYS 86 HD3 LYS 86 5.085 -10.073 3.694 9 HE2 LYS 86 HE2 LYS 86 4.320 -12.894 4.457 10 HE3 LYS 86 HE3 LYS 86 4.853 -11.664 5.597 11 HZ1 LYS 86 HZ1 LYS 86 2.916 -10.305 4.827 12 HZ2 LYS 86 HZ2 LYS 86 2.371 -11.663 3.965 13 HZ3 LYS 86 HZ3 LYS 86 2.505 -11.724 5.653 No H/Q in entry = 13 In of MODEL 21 1 H ILE 87 H ILE 87 0.414 -11.104 0.807 2 HA ILE 87 HA ILE 87 -0.290 -8.364 -0.012 3 HB ILE 87 HB ILE 87 -1.683 -10.886 -0.524 4 HG12 ILE 87 HG12 ILE 87 -1.115 -9.627 -2.413 5 HG13 ILE 87 HG13 ILE 87 -2.837 -9.287 -2.212 6 HG21 ILE 87 HG21 ILE 87 -3.251 -8.579 0.593 7 HG22 ILE 87 HG22 ILE 87 -3.961 -9.862 -0.393 8 HG23 ILE 87 HG23 ILE 87 -3.223 -10.249 1.164 9 HD11 ILE 87 HD11 ILE 87 -0.611 -7.513 -1.275 10 HD12 ILE 87 HD12 ILE 87 -1.559 -7.292 -2.743 11 HD13 ILE 87 HD13 ILE 87 -2.339 -7.188 -1.170 No H/Q in entry = 11 In of MODEL 21 1 H VAL 88 H VAL 88 -1.116 -6.993 1.400 2 HA VAL 88 HA VAL 88 -1.993 -8.017 4.018 3 HB VAL 88 HB VAL 88 0.007 -6.672 4.285 4 HG11 VAL 88 HG11 VAL 88 -0.098 -5.375 2.227 5 HG12 VAL 88 HG12 VAL 88 -1.454 -4.456 2.888 6 HG13 VAL 88 HG13 VAL 88 0.137 -4.341 3.641 7 HG21 VAL 88 HG21 VAL 88 -2.511 -5.284 5.150 8 HG22 VAL 88 HG22 VAL 88 -1.557 -6.448 6.066 9 HG23 VAL 88 HG23 VAL 88 -0.906 -4.840 5.731 No H/Q in entry = 9 In of MODEL 21 1 H LYS 89 H LYS 89 -4.114 -7.691 4.411 2 HA LYS 89 HA LYS 89 -5.491 -5.839 2.589 3 HB2 LYS 89 HB2 LYS 89 -6.705 -8.237 3.956 4 HB3 LYS 89 HB3 LYS 89 -7.410 -7.249 2.679 5 HG2 LYS 89 HG2 LYS 89 -6.151 -8.195 1.047 6 HG3 LYS 89 HG3 LYS 89 -4.823 -8.575 2.147 7 HD2 LYS 89 HD2 LYS 89 -7.491 -9.969 2.175 8 HD3 LYS 89 HD3 LYS 89 -6.075 -10.575 1.320 9 HE2 LYS 89 HE2 LYS 89 -4.867 -10.569 3.516 10 HE3 LYS 89 HE3 LYS 89 -6.405 -10.165 4.290 11 HZ1 LYS 89 HZ1 LYS 89 -5.966 -12.573 2.611 12 HZ2 LYS 89 HZ2 LYS 89 -5.870 -12.564 4.307 13 HZ3 LYS 89 HZ3 LYS 89 -7.340 -12.208 3.542 No H/Q in entry = 13 In of MODEL 21 1 H TRP 90 H TRP 90 -7.132 -4.529 3.402 2 HA TRP 90 HA TRP 90 -6.484 -3.654 6.081 3 HB2 TRP 90 HB2 TRP 90 -6.605 -2.014 4.257 4 HB3 TRP 90 HB3 TRP 90 -8.296 -2.426 3.997 5 HD1 TRP 90 HD1 TRP 90 -6.525 -1.413 7.350 6 HE1 TRP 90 HE1 TRP 90 -7.761 0.593 8.307 7 HE3 TRP 90 HE3 TRP 90 -9.924 -0.657 3.543 8 HZ2 TRP 90 HZ2 TRP 90 -9.951 2.223 7.638 9 HZ3 TRP 90 HZ3 TRP 90 -11.541 1.179 3.791 10 HH2 TRP 90 HH2 TRP 90 -11.555 2.607 5.779 No H/Q in entry = 10 In of MODEL 21 1 H ASP 91 H ASP 91 -7.666 -3.743 7.832 2 HA ASP 91 HA ASP 91 -9.757 -5.679 7.968 3 HB2 ASP 91 HB2 ASP 91 -9.738 -5.092 10.414 4 HB3 ASP 91 HB3 ASP 91 -8.166 -5.567 9.781 No H/Q in entry = 4 In of MODEL 21 1 H ARG 92 H ARG 92 -11.589 -5.081 6.995 2 HA ARG 92 HA ARG 92 -13.629 -3.803 8.214 3 HB2 ARG 92 HB2 ARG 92 -13.781 -1.559 7.510 4 HB3 ARG 92 HB3 ARG 92 -12.072 -1.753 7.904 5 HG2 ARG 92 HG2 ARG 92 -11.934 -0.607 5.937 6 HG3 ARG 92 HG3 ARG 92 -11.795 -2.291 5.372 7 HD2 ARG 92 HD2 ARG 92 -13.413 -0.683 4.069 8 HD3 ARG 92 HD3 ARG 92 -14.029 -2.273 4.548 9 HE ARG 92 HE ARG 92 -14.628 -0.364 6.547 10 HH11 ARG 92 HH11 ARG 92 -15.569 -1.352 3.323 11 HH12 ARG 92 HH12 ARG 92 -17.164 -0.674 3.439 12 HH21 ARG 92 HH21 ARG 92 -16.744 0.508 6.717 13 HH22 ARG 92 HH22 ARG 92 -17.836 0.351 5.376 No H/Q in entry = 13 In of MODEL 21 1 H ASP 93 H ASP 93 -12.085 -5.011 5.503 2 HA ASP 93 HA ASP 93 -14.587 -5.172 3.978 3 HB2 ASP 93 HB2 ASP 93 -13.104 -4.808 1.922 4 HB3 ASP 93 HB3 ASP 93 -13.608 -3.383 2.840 No H/Q in entry = 4 In of MODEL 21 1 HA MET 94 HA MET 94 -11.356 -8.619 3.087 2 HB2 MET 94 HB2 MET 94 -9.991 -9.746 4.917 3 HB3 MET 94 HB3 MET 94 -9.403 -8.204 4.315 4 HG2 MET 94 HG2 MET 94 -9.176 -8.433 6.764 5 HG3 MET 94 HG3 MET 94 -10.162 -7.053 6.307 6 HE1 MET 94 HE1 MET 94 -11.034 -6.820 8.771 7 HE2 MET 94 HE2 MET 94 -11.722 -8.148 9.707 8 HE3 MET 94 HE3 MET 94 -10.016 -8.174 9.263 No H/Q in entry = 8 In of MODEL 22 1 HA MET 1 HA MET 1 5.138 -7.869 5.857 2 HB2 MET 1 HB2 MET 1 4.889 -9.071 7.993 3 HB3 MET 1 HB3 MET 1 4.738 -7.538 8.840 4 HG2 MET 1 HG2 MET 1 2.579 -8.622 8.506 5 HG3 MET 1 HG3 MET 1 2.668 -7.065 7.685 6 HE1 MET 1 HE1 MET 1 0.444 -9.307 7.109 7 HE2 MET 1 HE2 MET 1 0.485 -7.743 6.293 8 HE3 MET 1 HE3 MET 1 0.357 -9.228 5.349 No H/Q in entry = 8 In of MODEL 22 1 H ILE 2 H ILE 2 3.384 -6.454 5.453 2 HA ILE 2 HA ILE 2 4.109 -3.633 5.764 3 HB ILE 2 HB ILE 2 1.804 -4.697 4.127 4 HG12 ILE 2 HG12 ILE 2 4.382 -4.280 2.721 5 HG13 ILE 2 HG13 ILE 2 4.266 -5.727 3.725 6 HG21 ILE 2 HG21 ILE 2 2.019 -2.259 4.446 7 HG22 ILE 2 HG22 ILE 2 3.603 -2.317 3.665 8 HG23 ILE 2 HG23 ILE 2 2.155 -2.749 2.761 9 HD11 ILE 2 HD11 ILE 2 2.266 -6.418 2.497 10 HD12 ILE 2 HD12 ILE 2 2.383 -4.974 1.492 11 HD13 ILE 2 HD13 ILE 2 3.648 -6.205 1.424 No H/Q in entry = 11 In of MODEL 22 1 H GLN 3 H GLN 3 2.628 -2.085 6.664 2 HA GLN 3 HA GLN 3 0.208 -3.271 7.868 3 HB2 GLN 3 HB2 GLN 3 1.959 -1.053 8.997 4 HB3 GLN 3 HB3 GLN 3 0.451 -1.617 9.706 5 HG2 GLN 3 HG2 GLN 3 2.233 -2.598 10.942 6 HG3 GLN 3 HG3 GLN 3 1.497 -3.896 9.992 7 HE21 GLN 3 HE21 GLN 3 3.322 -5.161 10.054 8 HE22 GLN 3 HE22 GLN 3 4.773 -4.768 9.195 No H/Q in entry = 8 In of MODEL 22 1 H VAL 4 H VAL 4 -1.449 -2.578 6.647 2 HA VAL 4 HA VAL 4 -1.314 0.027 5.358 3 HB VAL 4 HB VAL 4 -3.600 -0.710 4.390 4 HG11 VAL 4 HG11 VAL 4 -1.107 -2.285 3.752 5 HG12 VAL 4 HG12 VAL 4 -2.516 -2.124 2.705 6 HG13 VAL 4 HG13 VAL 4 -1.543 -0.707 3.093 7 HG21 VAL 4 HG21 VAL 4 -4.037 -2.460 6.050 8 HG22 VAL 4 HG22 VAL 4 -4.036 -3.101 4.406 9 HG23 VAL 4 HG23 VAL 4 -2.645 -3.365 5.460 No H/Q in entry = 9 In of MODEL 22 1 H TYR 5 H TYR 5 -2.949 1.556 5.464 2 HA TYR 5 HA TYR 5 -4.848 1.562 7.653 3 HB2 TYR 5 HB2 TYR 5 -2.469 3.435 7.581 4 HB3 TYR 5 HB3 TYR 5 -3.933 3.790 8.487 5 HD1 TYR 5 HD1 TYR 5 -0.796 3.142 9.135 6 HD2 TYR 5 HD2 TYR 5 -4.520 1.171 9.757 7 HE1 TYR 5 HE1 TYR 5 0.162 1.958 11.065 8 HE2 TYR 5 HE2 TYR 5 -3.566 -0.033 11.690 9 HH TYR 5 HH TYR 5 -0.603 0.851 13.113 No H/Q in entry = 9 In of MODEL 22 1 H SER 6 H SER 6 -5.791 3.943 7.701 2 HA SER 6 HA SER 6 -5.592 5.198 5.055 3 HB2 SER 6 HB2 SER 6 -8.135 4.893 6.681 4 HB3 SER 6 HB3 SER 6 -7.979 5.774 5.153 5 HG SER 6 HG SER 6 -7.052 3.189 5.052 No H/Q in entry = 5 In of MODEL 22 1 H ARG 7 H ARG 7 -6.120 7.488 5.057 2 HA ARG 7 HA ARG 7 -5.141 8.810 7.452 3 HB2 ARG 7 HB2 ARG 7 -4.845 9.336 4.788 4 HB3 ARG 7 HB3 ARG 7 -6.131 10.467 5.208 5 HG2 ARG 7 HG2 ARG 7 -3.405 10.295 6.497 6 HG3 ARG 7 HG3 ARG 7 -3.959 11.532 5.369 7 HD2 ARG 7 HD2 ARG 7 -5.624 12.278 6.958 8 HD3 ARG 7 HD3 ARG 7 -5.179 10.987 8.070 9 HE ARG 7 HE ARG 7 -3.120 12.925 7.315 10 HH11 ARG 7 HH11 ARG 7 -5.361 11.693 9.711 11 HH12 ARG 7 HH12 ARG 7 -4.632 12.557 11.030 12 HH21 ARG 7 HH21 ARG 7 -2.159 14.072 9.044 13 HH22 ARG 7 HH22 ARG 7 -2.826 13.932 10.644 No H/Q in entry = 13 In of MODEL 22 1 H HIS 8 H HIS 8 -8.145 8.056 6.035 2 HA HIS 8 HA HIS 8 -9.533 9.944 7.798 3 HB2 HIS 8 HB2 HIS 8 -10.178 9.363 4.895 4 HB3 HIS 8 HB3 HIS 8 -11.263 10.210 5.990 5 HD2 HIS 8 HD2 HIS 8 -9.095 11.198 3.283 6 HE1 HIS 8 HE1 HIS 8 -8.483 14.211 6.191 7 HE2 HIS 8 HE2 HIS 8 -8.315 13.628 3.730 No H/Q in entry = 7 In of MODEL 22 1 HA PRO 9 HA PRO 9 -11.917 6.445 9.059 2 HB2 PRO 9 HB2 PRO 9 -14.388 8.026 9.000 3 HB3 PRO 9 HB3 PRO 9 -13.535 7.328 10.387 4 HG2 PRO 9 HG2 PRO 9 -13.594 10.004 9.922 5 HG3 PRO 9 HG3 PRO 9 -12.182 9.203 10.642 6 HD2 PRO 9 HD2 PRO 9 -12.628 10.091 7.815 7 HD3 PRO 9 HD3 PRO 9 -11.166 10.255 8.820 No H/Q in entry = 7 In of MODEL 22 1 H ALA 10 H ALA 10 -12.812 4.780 8.038 2 HA ALA 10 HA ALA 10 -13.476 4.734 5.341 3 HB1 ALA 10 HB1 ALA 10 -14.340 2.492 5.779 4 HB2 ALA 10 HB2 ALA 10 -12.832 2.761 6.650 5 HB3 ALA 10 HB3 ALA 10 -14.370 2.831 7.507 No H/Q in entry = 5 In of MODEL 22 1 H GLU 11 H GLU 11 -15.129 6.191 4.634 2 HA GLU 11 HA GLU 11 -17.795 5.517 5.729 3 HB2 GLU 11 HB2 GLU 11 -16.674 8.031 5.607 4 HB3 GLU 11 HB3 GLU 11 -17.608 7.975 4.122 5 HG2 GLU 11 HG2 GLU 11 -18.647 7.596 6.915 6 HG3 GLU 11 HG3 GLU 11 -18.916 8.968 5.845 No H/Q in entry = 6 In of MODEL 22 1 H ASN 12 H ASN 12 -18.620 3.996 4.393 2 HA ASN 12 HA ASN 12 -18.062 3.410 1.799 3 HB2 ASN 12 HB2 ASN 12 -19.438 1.942 3.064 4 HB3 ASN 12 HB3 ASN 12 -20.651 3.174 3.378 5 HD21 ASN 12 HD21 ASN 12 -22.334 2.003 2.566 6 HD22 ASN 12 HD22 ASN 12 -22.512 1.617 0.886 No H/Q in entry = 6 In of MODEL 22 1 H GLY 13 H GLY 13 -18.031 4.627 0.033 2 HA2 GLY 13 HA2 GLY 13 -20.214 6.597 -0.397 3 HA3 GLY 13 HA3 GLY 13 -19.399 5.721 -1.676 No H/Q in entry = 3 In of MODEL 22 1 H LYS 14 H LYS 14 -17.298 6.863 0.796 2 HA LYS 14 HA LYS 14 -16.876 9.436 -0.574 3 HB2 LYS 14 HB2 LYS 14 -15.319 8.415 1.797 4 HB3 LYS 14 HB3 LYS 14 -15.484 10.069 1.251 5 HG2 LYS 14 HG2 LYS 14 -17.749 8.455 2.410 6 HG3 LYS 14 HG3 LYS 14 -16.668 9.472 3.346 7 HD2 LYS 14 HD2 LYS 14 -18.668 10.671 2.965 8 HD3 LYS 14 HD3 LYS 14 -17.384 11.434 2.033 9 HE2 LYS 14 HE2 LYS 14 -19.300 11.394 0.650 10 HE3 LYS 14 HE3 LYS 14 -18.229 10.136 0.043 11 HZ1 LYS 14 HZ1 LYS 14 -19.568 8.518 1.324 12 HZ2 LYS 14 HZ2 LYS 14 -20.636 9.761 1.750 13 HZ3 LYS 14 HZ3 LYS 14 -20.461 9.312 0.122 No H/Q in entry = 13 In of MODEL 22 1 H SER 15 H SER 15 -14.862 10.056 -1.421 2 HA SER 15 HA SER 15 -13.010 7.855 -1.919 3 HB2 SER 15 HB2 SER 15 -11.996 9.854 -3.418 4 HB3 SER 15 HB3 SER 15 -13.227 8.722 -3.997 5 HG SER 15 HG SER 15 -14.821 10.242 -3.420 No H/Q in entry = 5 In of MODEL 22 1 H ASN 16 H ASN 16 -10.883 7.966 -1.383 2 HA ASN 16 HA ASN 16 -9.772 10.060 0.244 3 HB2 ASN 16 HB2 ASN 16 -10.198 7.402 1.624 4 HB3 ASN 16 HB3 ASN 16 -9.593 8.892 2.321 5 HD21 ASN 16 HD21 ASN 16 -10.995 10.215 3.311 6 HD22 ASN 16 HD22 ASN 16 -12.710 9.973 3.363 No H/Q in entry = 6 In of MODEL 22 1 H PHE 17 H PHE 17 -7.746 8.576 1.462 2 HA PHE 17 HA PHE 17 -6.497 7.321 -0.893 3 HB2 PHE 17 HB2 PHE 17 -5.400 9.192 1.174 4 HB3 PHE 17 HB3 PHE 17 -4.319 8.090 0.327 5 HD1 PHE 17 HD1 PHE 17 -5.606 8.085 -2.342 6 HD2 PHE 17 HD2 PHE 17 -4.756 11.284 0.336 7 HE1 PHE 17 HE1 PHE 17 -5.475 9.641 -4.247 8 HE2 PHE 17 HE2 PHE 17 -4.630 12.844 -1.562 9 HZ PHE 17 HZ PHE 17 -4.989 12.024 -3.857 No H/Q in entry = 9 In of MODEL 22 1 H LEU 18 H LEU 18 -5.721 5.305 -0.728 2 HA LEU 18 HA LEU 18 -5.758 3.978 1.873 3 HB2 LEU 18 HB2 LEU 18 -6.642 2.619 0.141 4 HB3 LEU 18 HB3 LEU 18 -5.306 2.985 -0.931 5 HG LEU 18 HG LEU 18 -3.795 1.578 0.395 6 HD11 LEU 18 HD11 LEU 18 -6.187 1.077 2.171 7 HD12 LEU 18 HD12 LEU 18 -4.669 0.183 2.226 8 HD13 LEU 18 HD13 LEU 18 -4.692 1.900 2.618 9 HD21 LEU 18 HD21 LEU 18 -6.404 0.220 -0.294 10 HD22 LEU 18 HD22 LEU 18 -5.036 0.493 -1.373 11 HD23 LEU 18 HD23 LEU 18 -4.872 -0.604 -0.004 No H/Q in entry = 11 In of MODEL 22 1 H ASN 19 H ASN 19 -4.037 3.711 3.115 2 HA ASN 19 HA ASN 19 -1.458 4.601 2.026 3 HB2 ASN 19 HB2 ASN 19 -2.462 4.601 4.883 4 HB3 ASN 19 HB3 ASN 19 -0.865 5.137 4.373 5 HD21 ASN 19 HD21 ASN 19 -1.827 6.382 1.932 6 HD22 ASN 19 HD22 ASN 19 -2.625 7.834 2.422 No H/Q in entry = 6 In of MODEL 22 1 H CYS 20 H CYS 20 0.008 3.065 1.670 2 HA CYS 20 HA CYS 20 0.004 0.660 3.376 3 HB2 CYS 20 HB2 CYS 20 -0.386 -0.009 1.123 4 HB3 CYS 20 HB3 CYS 20 0.801 1.132 0.480 No H/Q in entry = 4 In of MODEL 22 1 H TYR 21 H TYR 21 1.582 0.790 4.866 2 HA TYR 21 HA TYR 21 3.892 2.529 4.335 3 HB2 TYR 21 HB2 TYR 21 3.078 3.305 6.335 4 HB3 TYR 21 HB3 TYR 21 2.414 1.756 6.804 5 HD1 TYR 21 HD1 TYR 21 5.610 3.675 6.609 6 HD2 TYR 21 HD2 TYR 21 3.481 0.454 8.394 7 HE1 TYR 21 HE1 TYR 21 7.401 3.412 8.272 8 HE2 TYR 21 HE2 TYR 21 5.266 0.176 10.048 9 HH TYR 21 HH TYR 21 7.615 0.684 10.337 No H/Q in entry = 9 In of MODEL 22 1 H VAL 22 H VAL 22 5.744 1.689 3.723 2 HA VAL 22 HA VAL 22 6.387 -1.122 4.378 3 HB VAL 22 HB VAL 22 7.136 0.424 1.861 4 HG11 VAL 22 HG11 VAL 22 8.679 -1.401 2.505 5 HG12 VAL 22 HG12 VAL 22 7.328 -2.538 2.460 6 HG13 VAL 22 HG13 VAL 22 7.842 -1.717 0.982 7 HG21 VAL 22 HG21 VAL 22 4.951 -1.627 2.254 8 HG22 VAL 22 HG22 VAL 22 4.745 0.076 1.846 9 HG23 VAL 22 HG23 VAL 22 5.501 -1.024 0.689 No H/Q in entry = 9 In of MODEL 22 1 H SER 23 H SER 23 8.109 -1.012 5.860 2 HA SER 23 HA SER 23 10.121 1.076 5.346 3 HB2 SER 23 HB2 SER 23 8.556 1.670 7.231 4 HB3 SER 23 HB3 SER 23 9.205 0.285 8.113 5 HG SER 23 HG SER 23 10.299 2.760 7.681 No H/Q in entry = 5 In of MODEL 22 1 H GLY 24 H GLY 24 12.220 0.699 6.090 2 HA2 GLY 24 HA2 GLY 24 12.922 -2.019 6.973 3 HA3 GLY 24 HA3 GLY 24 13.982 -0.615 7.014 No H/Q in entry = 3 In of MODEL 22 1 H PHE 25 H PHE 25 12.320 -0.750 4.155 2 HA PHE 25 HA PHE 25 14.315 -2.406 2.788 3 HB2 PHE 25 HB2 PHE 25 11.644 -1.360 1.823 4 HB3 PHE 25 HB3 PHE 25 12.694 -2.477 0.953 5 HD1 PHE 25 HD1 PHE 25 12.932 -4.805 1.673 6 HD2 PHE 25 HD2 PHE 25 10.326 -2.132 3.730 7 HE1 PHE 25 HE1 PHE 25 11.865 -6.722 2.805 8 HE2 PHE 25 HE2 PHE 25 9.253 -4.048 4.870 9 HZ PHE 25 HZ PHE 25 10.009 -6.334 4.379 No H/Q in entry = 9 In of MODEL 22 1 H HIS 26 H HIS 26 15.262 -1.691 0.820 2 HA HIS 26 HA HIS 26 15.825 1.144 0.737 3 HB2 HIS 26 HB2 HIS 26 16.745 -0.838 -1.329 4 HB3 HIS 26 HB3 HIS 26 17.521 0.658 -0.823 5 HD2 HIS 26 HD2 HIS 26 19.167 0.426 1.443 6 HE1 HIS 26 HE1 HIS 26 18.822 -3.780 1.684 7 HE2 HIS 26 HE2 HIS 26 19.884 -1.717 2.694 No H/Q in entry = 7 In of MODEL 22 1 HA PRO 27 HA PRO 27 12.060 1.943 -1.521 2 HB2 PRO 27 HB2 PRO 27 13.825 4.208 -2.397 3 HB3 PRO 27 HB3 PRO 27 12.118 4.244 -1.926 4 HG2 PRO 27 HG2 PRO 27 14.013 4.968 -0.205 5 HG3 PRO 27 HG3 PRO 27 12.588 4.028 0.339 6 HD2 PRO 27 HD2 PRO 27 15.428 3.179 0.003 7 HD3 PRO 27 HD3 PRO 27 14.164 2.517 1.061 No H/Q in entry = 7 In of MODEL 22 1 H SER 28 H SER 28 15.169 2.121 -3.255 2 HA SER 28 HA SER 28 13.863 2.189 -5.809 3 HB2 SER 28 HB2 SER 28 16.016 3.297 -5.512 4 HB3 SER 28 HB3 SER 28 16.778 1.756 -5.115 5 HG SER 28 HG SER 28 15.536 1.459 -7.440 No H/Q in entry = 5 In of MODEL 22 1 H ASP 29 H ASP 29 15.146 -0.373 -3.775 2 HA ASP 29 HA ASP 29 15.195 -2.223 -6.032 3 HB2 ASP 29 HB2 ASP 29 16.120 -2.576 -3.174 4 HB3 ASP 29 HB3 ASP 29 16.300 -3.775 -4.446 No H/Q in entry = 4 In of MODEL 22 1 H ILE 30 H ILE 30 12.673 -1.263 -4.390 2 HA ILE 30 HA ILE 30 11.714 -4.014 -3.897 3 HB ILE 30 HB ILE 30 10.590 -3.426 -1.992 4 HG12 ILE 30 HG12 ILE 30 10.558 -0.508 -2.828 5 HG13 ILE 30 HG13 ILE 30 9.228 -1.654 -3.026 6 HG21 ILE 30 HG21 ILE 30 12.907 -1.515 -2.052 7 HG22 ILE 30 HG22 ILE 30 11.967 -1.876 -0.604 8 HG23 ILE 30 HG23 ILE 30 12.873 -3.156 -1.408 9 HD11 ILE 30 HD11 ILE 30 9.127 -1.917 -0.583 10 HD12 ILE 30 HD12 ILE 30 10.408 -0.714 -0.419 11 HD13 ILE 30 HD13 ILE 30 8.848 -0.255 -1.099 No H/Q in entry = 11 In of MODEL 22 1 H GLU 31 H GLU 31 9.288 -4.181 -3.988 2 HA GLU 31 HA GLU 31 8.113 -2.355 -5.957 3 HB2 GLU 31 HB2 GLU 31 8.137 -5.375 -6.140 4 HB3 GLU 31 HB3 GLU 31 7.113 -4.328 -7.110 5 HG2 GLU 31 HG2 GLU 31 9.066 -3.260 -8.099 6 HG3 GLU 31 HG3 GLU 31 10.139 -4.255 -7.120 No H/Q in entry = 6 In of MODEL 22 1 H VAL 32 H VAL 32 6.381 -1.530 -5.024 2 HA VAL 32 HA VAL 32 4.626 -3.287 -3.447 3 HB VAL 32 HB VAL 32 5.150 -2.087 -1.605 4 HG11 VAL 32 HG11 VAL 32 7.148 -1.219 -2.750 5 HG12 VAL 32 HG12 VAL 32 6.202 0.158 -3.310 6 HG13 VAL 32 HG13 VAL 32 6.472 -0.086 -1.582 7 HG21 VAL 32 HG21 VAL 32 2.955 -1.133 -2.085 8 HG22 VAL 32 HG22 VAL 32 4.001 0.026 -1.264 9 HG23 VAL 32 HG23 VAL 32 3.716 0.169 -2.999 No H/Q in entry = 9 In of MODEL 22 1 H ASP 33 H ASP 33 2.480 -3.179 -3.906 2 HA ASP 33 HA ASP 33 1.536 -0.993 -5.646 3 HB2 ASP 33 HB2 ASP 33 0.804 -3.940 -6.038 4 HB3 ASP 33 HB3 ASP 33 0.187 -2.591 -6.987 No H/Q in entry = 4 In of MODEL 22 1 H LEU 34 H LEU 34 -0.829 -0.769 -5.562 2 HA LEU 34 HA LEU 34 -1.935 -1.696 -2.994 3 HB2 LEU 34 HB2 LEU 34 -2.398 0.776 -4.607 4 HB3 LEU 34 HB3 LEU 34 -3.713 0.168 -3.625 5 HG LEU 34 HG LEU 34 -2.194 0.298 -1.625 6 HD11 LEU 34 HD11 LEU 34 -0.044 0.282 -2.769 7 HD12 LEU 34 HD12 LEU 34 -0.417 1.845 -3.501 8 HD13 LEU 34 HD13 LEU 34 -0.221 1.711 -1.752 9 HD21 LEU 34 HD21 LEU 34 -3.864 2.010 -2.111 10 HD22 LEU 34 HD22 LEU 34 -2.430 2.685 -1.339 11 HD23 LEU 34 HD23 LEU 34 -2.675 2.891 -3.074 No H/Q in entry = 11 In of MODEL 22 1 H LEU 35 H LEU 35 -3.644 -3.072 -2.998 2 HA LEU 35 HA LEU 35 -4.723 -3.838 -5.635 3 HB2 LEU 35 HB2 LEU 35 -4.181 -5.663 -3.293 4 HB3 LEU 35 HB3 LEU 35 -4.784 -6.132 -4.865 5 HG LEU 35 HG LEU 35 -2.005 -5.368 -4.057 6 HD11 LEU 35 HD11 LEU 35 -3.271 -7.635 -5.596 7 HD12 LEU 35 HD12 LEU 35 -1.540 -7.437 -5.375 8 HD13 LEU 35 HD13 LEU 35 -2.583 -7.702 -3.974 9 HD21 LEU 35 HD21 LEU 35 -2.530 -3.988 -6.047 10 HD22 LEU 35 HD22 LEU 35 -1.318 -5.227 -6.366 11 HD23 LEU 35 HD23 LEU 35 -2.971 -5.456 -6.917 No H/Q in entry = 11 In of MODEL 22 1 H LYS 36 H LYS 36 -6.694 -5.085 -5.581 2 HA LYS 36 HA LYS 36 -8.410 -4.802 -3.205 3 HB2 LYS 36 HB2 LYS 36 -9.611 -5.255 -5.908 4 HB3 LYS 36 HB3 LYS 36 -10.285 -4.387 -4.511 5 HG2 LYS 36 HG2 LYS 36 -8.801 -2.511 -4.989 6 HG3 LYS 36 HG3 LYS 36 -8.046 -3.407 -6.289 7 HD2 LYS 36 HD2 LYS 36 -9.698 -1.658 -7.078 8 HD3 LYS 36 HD3 LYS 36 -9.945 -3.274 -7.714 9 HE2 LYS 36 HE2 LYS 36 -11.779 -3.459 -5.819 10 HE3 LYS 36 HE3 LYS 36 -11.699 -1.694 -5.814 11 HZ1 LYS 36 HZ1 LYS 36 -12.166 -3.321 -8.238 12 HZ2 LYS 36 HZ2 LYS 36 -13.389 -2.616 -7.300 13 HZ3 LYS 36 HZ3 LYS 36 -12.258 -1.634 -8.095 No H/Q in entry = 13 In of MODEL 22 1 H ASN 37 H ASN 37 -8.441 -6.847 -2.318 2 HA ASN 37 HA ASN 37 -8.041 -9.117 -2.230 3 HB2 ASN 37 HB2 ASN 37 -9.936 -10.326 -3.553 4 HB3 ASN 37 HB3 ASN 37 -10.377 -9.227 -2.255 5 HD21 ASN 37 HD21 ASN 37 -11.002 -7.046 -2.881 6 HD22 ASN 37 HD22 ASN 37 -11.791 -6.774 -4.394 No H/Q in entry = 6 In of MODEL 22 1 H GLY 38 H GLY 38 -6.045 -8.340 -3.676 2 HA2 GLY 38 HA2 GLY 38 -5.571 -10.522 -5.447 3 HA3 GLY 38 HA3 GLY 38 -4.440 -9.243 -5.080 No H/Q in entry = 3 In of MODEL 22 1 H GLU 39 H GLU 39 -6.454 -7.180 -6.027 2 HA GLU 39 HA GLU 39 -6.039 -7.637 -8.904 3 HB2 GLU 39 HB2 GLU 39 -8.429 -7.932 -8.332 4 HB3 GLU 39 HB3 GLU 39 -8.456 -6.321 -7.630 5 HG2 GLU 39 HG2 GLU 39 -9.460 -6.323 -9.851 6 HG3 GLU 39 HG3 GLU 39 -7.990 -5.344 -9.819 No H/Q in entry = 6 In of MODEL 22 1 H ARG 40 H ARG 40 -4.716 -6.161 -9.700 2 HA ARG 40 HA ARG 40 -3.686 -3.995 -8.279 3 HB2 ARG 40 HB2 ARG 40 -2.938 -5.289 -10.516 4 HB3 ARG 40 HB3 ARG 40 -3.719 -3.919 -11.282 5 HG2 ARG 40 HG2 ARG 40 -2.209 -2.397 -10.099 6 HG3 ARG 40 HG3 ARG 40 -1.439 -3.779 -9.327 7 HD2 ARG 40 HD2 ARG 40 -0.061 -3.079 -11.163 8 HD3 ARG 40 HD3 ARG 40 -0.785 -4.625 -11.598 9 HE ARG 40 HE ARG 40 -2.002 -2.120 -12.559 10 HH11 ARG 40 HH11 ARG 40 -0.403 -5.175 -13.180 11 HH12 ARG 40 HH12 ARG 40 -0.581 -5.064 -14.907 12 HH21 ARG 40 HH21 ARG 40 -2.231 -1.949 -14.801 13 HH22 ARG 40 HH22 ARG 40 -1.634 -3.216 -15.839 No H/Q in entry = 13 In of MODEL 22 1 H ILE 41 H ILE 41 -4.611 -2.172 -7.700 2 HA ILE 41 HA ILE 41 -7.129 -1.313 -8.560 3 HB ILE 41 HB ILE 41 -4.977 0.218 -7.097 4 HG12 ILE 41 HG12 ILE 41 -7.397 -1.286 -6.101 5 HG13 ILE 41 HG13 ILE 41 -5.740 -1.864 -5.996 6 HG21 ILE 41 HG21 ILE 41 -7.912 0.851 -7.447 7 HG22 ILE 41 HG22 ILE 41 -6.840 1.662 -6.306 8 HG23 ILE 41 HG23 ILE 41 -6.553 1.802 -8.037 9 HD11 ILE 41 HD11 ILE 41 -6.587 0.696 -4.706 10 HD12 ILE 41 HD12 ILE 41 -6.808 -0.873 -3.926 11 HD13 ILE 41 HD13 ILE 41 -5.186 -0.331 -4.364 No H/Q in entry = 11 In of MODEL 22 1 H GLU 42 H GLU 42 -4.340 0.864 -8.831 2 HA GLU 42 HA GLU 42 -3.147 0.760 -11.078 3 HB2 GLU 42 HB2 GLU 42 -5.952 1.454 -11.958 4 HB3 GLU 42 HB3 GLU 42 -4.538 1.891 -12.902 5 HG2 GLU 42 HG2 GLU 42 -4.691 -0.937 -12.091 6 HG3 GLU 42 HG3 GLU 42 -5.898 -0.395 -13.251 No H/Q in entry = 6 In of MODEL 22 1 H LYS 43 H LYS 43 -5.407 2.965 -9.491 2 HA LYS 43 HA LYS 43 -4.149 5.311 -10.616 3 HB2 LYS 43 HB2 LYS 43 -6.087 5.221 -8.301 4 HB3 LYS 43 HB3 LYS 43 -5.751 6.572 -9.371 5 HG2 LYS 43 HG2 LYS 43 -7.372 4.093 -9.936 6 HG3 LYS 43 HG3 LYS 43 -7.861 5.789 -10.039 7 HD2 LYS 43 HD2 LYS 43 -5.901 4.386 -11.857 8 HD3 LYS 43 HD3 LYS 43 -7.557 4.839 -12.265 9 HE2 LYS 43 HE2 LYS 43 -7.011 7.169 -12.093 10 HE3 LYS 43 HE3 LYS 43 -5.410 6.790 -11.464 11 HZ1 LYS 43 HZ1 LYS 43 -6.371 6.070 -14.179 12 HZ2 LYS 43 HZ2 LYS 43 -5.381 7.395 -13.821 13 HZ3 LYS 43 HZ3 LYS 43 -4.811 5.820 -13.563 No H/Q in entry = 13 In of MODEL 22 1 H VAL 44 H VAL 44 -2.037 4.197 -9.586 2 HA VAL 44 HA VAL 44 -1.681 5.452 -6.963 3 HB VAL 44 HB VAL 44 -1.728 2.670 -7.317 4 HG11 VAL 44 HG11 VAL 44 1.089 3.607 -6.908 5 HG12 VAL 44 HG12 VAL 44 0.523 1.958 -6.639 6 HG13 VAL 44 HG13 VAL 44 0.491 2.652 -8.262 7 HG21 VAL 44 HG21 VAL 44 -2.258 3.882 -5.280 8 HG22 VAL 44 HG22 VAL 44 -1.092 2.590 -4.978 9 HG23 VAL 44 HG23 VAL 44 -0.550 4.269 -5.063 No H/Q in entry = 9 In of MODEL 22 1 H GLU 45 H GLU 45 0.070 6.653 -6.809 2 HA GLU 45 HA GLU 45 2.320 6.275 -8.627 3 HB2 GLU 45 HB2 GLU 45 0.517 8.664 -8.698 4 HB3 GLU 45 HB3 GLU 45 2.230 8.866 -9.031 5 HG2 GLU 45 HG2 GLU 45 0.371 7.026 -10.508 6 HG3 GLU 45 HG3 GLU 45 0.910 8.609 -11.070 No H/Q in entry = 6 In of MODEL 22 1 H HIS 46 H HIS 46 3.949 6.128 -7.192 2 HA HIS 46 HA HIS 46 4.566 8.569 -5.764 3 HB2 HIS 46 HB2 HIS 46 3.300 7.343 -4.075 4 HB3 HIS 46 HB3 HIS 46 4.278 5.910 -4.351 5 HD2 HIS 46 HD2 HIS 46 4.750 9.496 -2.738 6 HE1 HIS 46 HE1 HIS 46 7.800 6.872 -1.433 7 HE2 HIS 46 HE2 HIS 46 6.634 9.072 -1.006 No H/Q in entry = 7 In of MODEL 22 1 H SER 47 H SER 47 6.668 8.929 -5.652 2 HA SER 47 HA SER 47 8.575 6.777 -5.537 3 HB2 SER 47 HB2 SER 47 9.873 7.781 -7.536 4 HB3 SER 47 HB3 SER 47 8.486 6.748 -7.887 5 HG SER 47 HG SER 47 7.271 8.531 -8.365 No H/Q in entry = 5 In of MODEL 22 1 H ASP 48 H ASP 48 10.103 7.428 -4.066 2 HA ASP 48 HA ASP 48 10.725 10.276 -4.041 3 HB2 ASP 48 HB2 ASP 48 10.280 10.641 -1.807 4 HB3 ASP 48 HB3 ASP 48 8.953 9.597 -2.276 No H/Q in entry = 4 In of MODEL 22 1 H LEU 49 H LEU 49 12.587 10.773 -2.756 2 HA LEU 49 HA LEU 49 14.794 10.891 -2.967 3 HB2 LEU 49 HB2 LEU 49 16.236 9.278 -1.879 4 HB3 LEU 49 HB3 LEU 49 14.895 9.741 -0.863 5 HG LEU 49 HG LEU 49 15.677 7.376 -0.675 6 HD11 LEU 49 HD11 LEU 49 13.504 8.043 0.143 7 HD12 LEU 49 HD12 LEU 49 12.793 7.723 -1.440 8 HD13 LEU 49 HD13 LEU 49 13.475 6.401 -0.497 9 HD21 LEU 49 HD21 LEU 49 14.430 7.054 -3.396 10 HD22 LEU 49 HD22 LEU 49 16.127 6.830 -2.975 11 HD23 LEU 49 HD23 LEU 49 14.906 5.733 -2.329 No H/Q in entry = 11 In of MODEL 22 1 H SER 50 H SER 50 16.825 10.062 -3.839 2 HA SER 50 HA SER 50 16.278 8.683 -6.384 3 HB2 SER 50 HB2 SER 50 18.507 10.624 -5.714 4 HB3 SER 50 HB3 SER 50 18.231 9.872 -7.285 5 HG SER 50 HG SER 50 16.142 11.311 -6.079 No H/Q in entry = 5 In of MODEL 22 1 H PHE 51 H PHE 51 18.681 9.037 -3.795 2 HA PHE 51 HA PHE 51 20.028 6.590 -4.572 3 HB2 PHE 51 HB2 PHE 51 20.394 8.290 -2.091 4 HB3 PHE 51 HB3 PHE 51 21.456 6.989 -2.620 5 HD1 PHE 51 HD1 PHE 51 20.836 10.462 -2.719 6 HD2 PHE 51 HD2 PHE 51 22.524 7.265 -4.963 7 HE1 PHE 51 HE1 PHE 51 22.141 12.079 -4.035 8 HE2 PHE 51 HE2 PHE 51 23.831 8.876 -6.283 9 HZ PHE 51 HZ PHE 51 23.640 11.288 -5.820 No H/Q in entry = 9 In of MODEL 22 1 H SER 52 H SER 52 19.519 4.618 -3.882 2 HA SER 52 HA SER 52 17.044 4.074 -2.814 3 HB2 SER 52 HB2 SER 52 18.764 2.554 -4.047 4 HB3 SER 52 HB3 SER 52 19.305 2.141 -2.421 5 HG SER 52 HG SER 52 17.703 0.694 -3.183 No H/Q in entry = 5 In of MODEL 22 1 H LYS 53 H LYS 53 19.831 2.893 -0.972 2 HA LYS 53 HA LYS 53 20.367 2.902 1.232 3 HB2 LYS 53 HB2 LYS 53 18.821 5.488 1.137 4 HB3 LYS 53 HB3 LYS 53 19.680 4.930 2.565 5 HG2 LYS 53 HG2 LYS 53 20.968 5.429 -0.110 6 HG3 LYS 53 HG3 LYS 53 20.941 6.581 1.227 7 HD2 LYS 53 HD2 LYS 53 22.170 3.824 1.291 8 HD3 LYS 53 HD3 LYS 53 23.053 5.345 1.152 9 HE2 LYS 53 HE2 LYS 53 22.150 6.039 3.337 10 HE3 LYS 53 HE3 LYS 53 21.335 4.481 3.476 11 HZ1 LYS 53 HZ1 LYS 53 23.514 3.395 3.377 12 HZ2 LYS 53 HZ2 LYS 53 24.269 4.909 3.305 13 HZ3 LYS 53 HZ3 LYS 53 23.410 4.461 4.696 No H/Q in entry = 13 In of MODEL 22 1 H ASP 54 H ASP 54 19.501 2.724 3.488 2 HA ASP 54 HA ASP 54 16.628 2.471 3.757 3 HB2 ASP 54 HB2 ASP 54 16.499 0.206 4.298 4 HB3 ASP 54 HB3 ASP 54 17.622 0.205 2.944 No H/Q in entry = 4 In of MODEL 22 1 H TRP 55 H TRP 55 15.961 2.913 5.760 2 HA TRP 55 HA TRP 55 17.103 1.994 8.068 3 HB2 TRP 55 HB2 TRP 55 18.099 3.887 9.159 4 HB3 TRP 55 HB3 TRP 55 18.924 3.630 7.637 5 HD1 TRP 55 HD1 TRP 55 17.165 6.207 9.670 6 HE1 TRP 55 HE1 TRP 55 17.128 8.433 8.456 7 HE3 TRP 55 HE3 TRP 55 18.678 4.603 4.995 8 HZ2 TRP 55 HZ2 TRP 55 17.676 9.436 5.832 9 HZ3 TRP 55 HZ3 TRP 55 18.881 6.266 3.212 10 HH2 TRP 55 HH2 TRP 55 18.397 8.631 3.614 No H/Q in entry = 10 In of MODEL 22 1 H SER 56 H SER 56 16.288 4.345 9.722 2 HA SER 56 HA SER 56 13.538 3.821 9.985 3 HB2 SER 56 HB2 SER 56 14.956 6.336 10.881 4 HB3 SER 56 HB3 SER 56 13.556 5.558 11.622 5 HG SER 56 HG SER 56 14.930 3.765 12.108 No H/Q in entry = 5 In of MODEL 22 1 H PHE 57 H PHE 57 13.062 4.087 7.564 2 HA PHE 57 HA PHE 57 12.609 6.902 6.870 3 HB2 PHE 57 HB2 PHE 57 14.244 5.158 5.582 4 HB3 PHE 57 HB3 PHE 57 12.749 4.867 4.718 5 HD1 PHE 57 HD1 PHE 57 11.511 7.226 4.039 6 HD2 PHE 57 HD2 PHE 57 15.666 6.629 4.691 7 HE1 PHE 57 HE1 PHE 57 12.009 9.200 2.643 8 HE2 PHE 57 HE2 PHE 57 16.176 8.606 3.322 9 HZ PHE 57 HZ PHE 57 14.344 9.891 2.290 No H/Q in entry = 9 In of MODEL 22 1 H TYR 58 H TYR 58 10.812 7.120 5.201 2 HA TYR 58 HA TYR 58 8.582 5.395 6.028 3 HB2 TYR 58 HB2 TYR 58 8.613 7.623 7.169 4 HB3 TYR 58 HB3 TYR 58 8.470 8.393 5.594 5 HD1 TYR 58 HD1 TYR 58 6.732 5.927 7.805 6 HD2 TYR 58 HD2 TYR 58 6.309 8.853 4.735 7 HE1 TYR 58 HE1 TYR 58 4.276 5.748 7.985 8 HE2 TYR 58 HE2 TYR 58 3.844 8.681 4.908 9 HH TYR 58 HH TYR 58 2.162 7.108 5.683 No H/Q in entry = 9 In of MODEL 22 1 H LEU 59 H LEU 59 8.180 4.216 4.258 2 HA LEU 59 HA LEU 59 7.923 5.543 1.642 3 HB2 LEU 59 HB2 LEU 59 8.350 2.729 2.561 4 HB3 LEU 59 HB3 LEU 59 7.548 2.992 1.031 5 HG LEU 59 HG LEU 59 10.290 4.123 1.615 6 HD11 LEU 59 HD11 LEU 59 10.179 1.624 1.898 7 HD12 LEU 59 HD12 LEU 59 9.679 1.524 0.212 8 HD13 LEU 59 HD13 LEU 59 11.254 2.188 0.627 9 HD21 LEU 59 HD21 LEU 59 8.555 3.729 -0.807 10 HD22 LEU 59 HD22 LEU 59 9.363 5.204 -0.261 11 HD23 LEU 59 HD23 LEU 59 10.303 3.887 -0.953 No H/Q in entry = 11 In of MODEL 22 1 H LEU 60 H LEU 60 5.910 6.043 0.962 2 HA LEU 60 HA LEU 60 3.671 4.324 1.690 3 HB2 LEU 60 HB2 LEU 60 3.756 6.020 3.420 4 HB3 LEU 60 HB3 LEU 60 3.866 7.284 2.215 5 HG LEU 60 HG LEU 60 1.563 6.644 1.456 6 HD11 LEU 60 HD11 LEU 60 1.657 4.986 3.967 7 HD12 LEU 60 HD12 LEU 60 0.214 5.318 3.009 8 HD13 LEU 60 HD13 LEU 60 1.537 4.379 2.315 9 HD21 LEU 60 HD21 LEU 60 1.952 8.558 2.916 10 HD22 LEU 60 HD22 LEU 60 0.438 7.749 3.318 11 HD23 LEU 60 HD23 LEU 60 1.864 7.508 4.329 No H/Q in entry = 11 In of MODEL 22 1 H TYR 61 H TYR 61 2.053 4.311 0.152 2 HA TYR 61 HA TYR 61 2.449 6.024 -2.210 3 HB2 TYR 61 HB2 TYR 61 1.679 3.077 -2.084 4 HB3 TYR 61 HB3 TYR 61 1.449 4.061 -3.542 5 HD1 TYR 61 HD1 TYR 61 3.143 4.046 -5.128 6 HD2 TYR 61 HD2 TYR 61 4.179 3.196 -1.093 7 HE1 TYR 61 HE1 TYR 61 5.448 3.590 -5.833 8 HE2 TYR 61 HE2 TYR 61 6.496 2.749 -1.793 9 HH TYR 61 HH TYR 61 7.706 3.591 -4.817 No H/Q in entry = 9 In of MODEL 22 1 H TYR 62 H TYR 62 0.325 6.335 -3.463 2 HA TYR 62 HA TYR 62 -1.943 6.137 -1.647 3 HB2 TYR 62 HB2 TYR 62 -2.526 8.583 -2.417 4 HB3 TYR 62 HB3 TYR 62 -1.516 8.270 -1.016 5 HD1 TYR 62 HD1 TYR 62 0.663 9.151 -0.890 6 HD2 TYR 62 HD2 TYR 62 -1.383 9.221 -4.624 7 HE1 TYR 62 HE1 TYR 62 2.399 10.636 -1.805 8 HE2 TYR 62 HE2 TYR 62 0.350 10.697 -5.549 9 HH TYR 62 HH TYR 62 3.323 11.257 -3.999 No H/Q in entry = 9 In of MODEL 22 1 H THR 63 H THR 63 -3.841 5.702 -2.568 2 HA THR 63 HA THR 63 -4.244 6.253 -5.414 3 HB THR 63 HB THR 63 -3.528 3.793 -5.011 4 HG1 THR 63 HG1 THR 63 -4.790 4.787 -6.843 5 HG21 THR 63 HG21 THR 63 -4.997 3.372 -3.055 6 HG22 THR 63 HG22 THR 63 -6.394 3.586 -4.104 7 HG23 THR 63 HG23 THR 63 -5.283 2.250 -4.382 No H/Q in entry = 7 In of MODEL 22 1 H GLU 64 H GLU 64 -6.275 6.989 -5.854 2 HA GLU 64 HA GLU 64 -8.065 7.747 -3.850 3 HB2 GLU 64 HB2 GLU 64 -7.827 8.513 -6.359 4 HB3 GLU 64 HB3 GLU 64 -8.949 7.195 -6.674 5 HG2 GLU 64 HG2 GLU 64 -10.222 9.215 -6.486 6 HG3 GLU 64 HG3 GLU 64 -10.563 8.193 -5.093 No H/Q in entry = 6 In of MODEL 22 1 H PHE 65 H PHE 65 -9.663 6.619 -2.773 2 HA PHE 65 HA PHE 65 -10.608 4.136 -4.034 3 HB2 PHE 65 HB2 PHE 65 -10.553 2.940 -1.975 4 HB3 PHE 65 HB3 PHE 65 -8.998 3.708 -2.181 5 HD1 PHE 65 HD1 PHE 65 -8.053 4.235 -0.196 6 HD2 PHE 65 HD2 PHE 65 -12.227 4.848 -0.675 7 HE1 PHE 65 HE1 PHE 65 -8.192 5.143 2.099 8 HE2 PHE 65 HE2 PHE 65 -12.356 5.759 1.605 9 HZ PHE 65 HZ PHE 65 -10.352 5.903 2.995 No H/Q in entry = 9 In of MODEL 22 1 H THR 66 H THR 66 -12.749 3.510 -3.576 2 HA THR 66 HA THR 66 -14.247 5.177 -1.676 3 HB THR 66 HB THR 66 -15.322 4.178 -4.337 4 HG1 THR 66 HG1 THR 66 -13.996 6.468 -3.591 5 HG21 THR 66 HG21 THR 66 -16.554 5.862 -2.142 6 HG22 THR 66 HG22 THR 66 -17.237 5.687 -3.763 7 HG23 THR 66 HG23 THR 66 -17.088 4.279 -2.715 No H/Q in entry = 7 In of MODEL 22 1 HA PRO 67 HA PRO 67 -14.552 0.885 -0.316 2 HB2 PRO 67 HB2 PRO 67 -15.734 1.593 2.150 3 HB3 PRO 67 HB3 PRO 67 -14.039 1.209 1.851 4 HG2 PRO 67 HG2 PRO 67 -15.140 3.743 2.519 5 HG3 PRO 67 HG3 PRO 67 -13.461 3.362 2.123 6 HD2 PRO 67 HD2 PRO 67 -15.486 4.699 0.525 7 HD3 PRO 67 HD3 PRO 67 -13.734 4.598 0.264 No H/Q in entry = 7 In of MODEL 22 1 H THR 68 H THR 68 -15.978 -0.565 -0.283 2 HA THR 68 HA THR 68 -18.837 0.044 -0.111 3 HB THR 68 HB THR 68 -19.224 -1.623 -1.928 4 HG1 THR 68 HG1 THR 68 -16.422 -1.410 -2.425 5 HG21 THR 68 HG21 THR 68 -19.173 0.770 -2.474 6 HG22 THR 68 HG22 THR 68 -17.434 0.666 -2.751 7 HG23 THR 68 HG23 THR 68 -18.549 -0.209 -3.802 No H/Q in entry = 7 In of MODEL 22 1 H GLU 69 H GLU 69 -20.081 -1.858 0.613 2 HA GLU 69 HA GLU 69 -18.795 -3.379 2.594 3 HB2 GLU 69 HB2 GLU 69 -21.096 -3.027 2.866 4 HB3 GLU 69 HB3 GLU 69 -21.497 -3.574 1.249 5 HG2 GLU 69 HG2 GLU 69 -22.232 -5.213 2.788 6 HG3 GLU 69 HG3 GLU 69 -20.830 -5.858 1.934 No H/Q in entry = 6 In of MODEL 22 1 H LYS 70 H LYS 70 -18.492 -3.770 -0.717 2 HA LYS 70 HA LYS 70 -18.283 -6.672 -0.492 3 HB2 LYS 70 HB2 LYS 70 -18.730 -4.968 -2.941 4 HB3 LYS 70 HB3 LYS 70 -18.515 -6.708 -2.977 5 HG2 LYS 70 HG2 LYS 70 -20.726 -5.568 -1.315 6 HG3 LYS 70 HG3 LYS 70 -20.897 -5.619 -3.064 7 HD2 LYS 70 HD2 LYS 70 -21.888 -7.595 -2.029 8 HD3 LYS 70 HD3 LYS 70 -20.529 -8.027 -3.059 9 HE2 LYS 70 HE2 LYS 70 -19.113 -8.339 -1.136 10 HE3 LYS 70 HE3 LYS 70 -20.381 -7.752 -0.057 11 HZ1 LYS 70 HZ1 LYS 70 -21.731 -9.670 -0.754 12 HZ2 LYS 70 HZ2 LYS 70 -20.431 -10.235 -1.683 13 HZ3 LYS 70 HZ3 LYS 70 -20.285 -10.135 -0.002 No H/Q in entry = 13 In of MODEL 22 1 H ASP 71 H ASP 71 -16.224 -3.890 -1.183 2 HA ASP 71 HA ASP 71 -14.349 -5.759 -2.433 3 HB2 ASP 71 HB2 ASP 71 -14.990 -3.786 -3.788 4 HB3 ASP 71 HB3 ASP 71 -14.276 -2.734 -2.561 No H/Q in entry = 4 In of MODEL 22 1 H GLU 72 H GLU 72 -12.376 -6.095 -1.674 2 HA GLU 72 HA GLU 72 -11.658 -5.145 1.030 3 HB2 GLU 72 HB2 GLU 72 -11.820 -7.571 0.658 4 HB3 GLU 72 HB3 GLU 72 -10.696 -7.464 -0.682 5 HG2 GLU 72 HG2 GLU 72 -8.964 -6.673 0.974 6 HG3 GLU 72 HG3 GLU 72 -10.120 -7.070 2.240 No H/Q in entry = 6 In of MODEL 22 1 H TYR 73 H TYR 73 -9.590 -4.207 1.389 2 HA TYR 73 HA TYR 73 -8.127 -3.495 -1.087 3 HB2 TYR 73 HB2 TYR 73 -8.613 -1.822 1.379 4 HB3 TYR 73 HB3 TYR 73 -7.400 -1.415 0.180 5 HD1 TYR 73 HD1 TYR 73 -11.050 -2.080 0.558 6 HD2 TYR 73 HD2 TYR 73 -7.990 -0.132 -1.672 7 HE1 TYR 73 HE1 TYR 73 -12.763 -0.899 -0.761 8 HE2 TYR 73 HE2 TYR 73 -9.699 1.046 -2.992 9 HH TYR 73 HH TYR 73 -12.028 0.802 -3.633 No H/Q in entry = 9 In of MODEL 22 1 H ALA 74 H ALA 74 -6.006 -3.964 -1.201 2 HA ALA 74 HA ALA 74 -4.615 -4.806 1.252 3 HB1 ALA 74 HB1 ALA 74 -5.439 -6.825 0.237 4 HB2 ALA 74 HB2 ALA 74 -4.805 -6.342 -1.339 5 HB3 ALA 74 HB3 ALA 74 -3.702 -6.733 -0.014 No H/Q in entry = 5 In of MODEL 22 1 H CYS 75 H CYS 75 -2.230 -4.819 1.034 2 HA CYS 75 HA CYS 75 -1.279 -3.422 -1.385 3 HB2 CYS 75 HB2 CYS 75 -1.111 -1.844 0.413 4 HB3 CYS 75 HB3 CYS 75 -0.323 -3.032 1.443 No H/Q in entry = 4 In of MODEL 22 1 H ARG 76 H ARG 76 0.352 -4.360 -2.449 2 HA ARG 76 HA ARG 76 1.425 -6.898 -1.406 3 HB2 ARG 76 HB2 ARG 76 0.098 -6.670 -3.601 4 HB3 ARG 76 HB3 ARG 76 1.541 -5.879 -4.231 5 HG2 ARG 76 HG2 ARG 76 2.802 -7.909 -4.004 6 HG3 ARG 76 HG3 ARG 76 1.504 -8.684 -3.093 7 HD2 ARG 76 HD2 ARG 76 1.536 -9.450 -5.464 8 HD3 ARG 76 HD3 ARG 76 0.042 -8.583 -5.055 9 HE ARG 76 HE ARG 76 1.608 -6.603 -6.005 10 HH11 ARG 76 HH11 ARG 76 0.771 -9.745 -7.329 11 HH12 ARG 76 HH12 ARG 76 1.018 -9.229 -8.976 12 HH21 ARG 76 HH21 ARG 76 1.946 -5.945 -8.147 13 HH22 ARG 76 HH22 ARG 76 1.683 -7.088 -9.438 No H/Q in entry = 13 In of MODEL 22 1 H VAL 77 H VAL 77 3.612 -7.001 -0.920 2 HA VAL 77 HA VAL 77 5.375 -5.109 -2.340 3 HB VAL 77 HB VAL 77 4.852 -4.429 0.115 4 HG11 VAL 77 HG11 VAL 77 6.918 -6.574 0.576 5 HG12 VAL 77 HG12 VAL 77 6.402 -5.367 1.758 6 HG13 VAL 77 HG13 VAL 77 5.255 -6.572 1.167 7 HG21 VAL 77 HG21 VAL 77 6.508 -3.355 -1.309 8 HG22 VAL 77 HG22 VAL 77 7.087 -3.489 0.353 9 HG23 VAL 77 HG23 VAL 77 7.687 -4.596 -0.882 No H/Q in entry = 9 In of MODEL 22 1 H ASN 78 H ASN 78 7.174 -5.854 -3.094 2 HA ASN 78 HA ASN 78 8.189 -8.468 -2.145 3 HB2 ASN 78 HB2 ASN 78 6.953 -8.662 -4.337 4 HB3 ASN 78 HB3 ASN 78 8.189 -7.625 -5.050 5 HD21 ASN 78 HD21 ASN 78 8.798 -9.265 -6.476 6 HD22 ASN 78 HD22 ASN 78 9.733 -10.626 -5.944 No H/Q in entry = 6 In of MODEL 22 1 H HIS 79 H HIS 79 10.302 -8.774 -2.060 2 HA HIS 79 HA HIS 79 12.107 -6.678 -3.012 3 HB2 HIS 79 HB2 HIS 79 11.655 -6.415 -0.531 4 HB3 HIS 79 HB3 HIS 79 12.357 -8.005 -0.298 5 HD2 HIS 79 HD2 HIS 79 13.404 -4.361 -0.685 6 HE1 HIS 79 HE1 HIS 79 16.917 -6.720 -0.602 7 HE2 HIS 79 HE2 HIS 79 15.977 -4.381 -0.333 No H/Q in entry = 7 In of MODEL 22 1 H VAL 80 H VAL 80 14.327 -7.543 -3.265 2 HA VAL 80 HA VAL 80 14.519 -9.867 -4.700 3 HB VAL 80 HB VAL 80 16.720 -8.763 -2.940 4 HG11 VAL 80 HG11 VAL 80 17.219 -11.013 -3.753 5 HG12 VAL 80 HG12 VAL 80 16.881 -10.500 -5.407 6 HG13 VAL 80 HG13 VAL 80 18.252 -9.814 -4.533 7 HG21 VAL 80 HG21 VAL 80 15.942 -8.102 -5.777 8 HG22 VAL 80 HG22 VAL 80 15.868 -7.030 -4.379 9 HG23 VAL 80 HG23 VAL 80 17.430 -7.570 -4.994 No H/Q in entry = 9 In of MODEL 22 1 H THR 81 H THR 81 14.697 -9.549 -1.196 2 HA THR 81 HA THR 81 15.771 -12.172 -0.765 3 HB THR 81 HB THR 81 16.247 -10.621 0.954 4 HG1 THR 81 HG1 THR 81 15.721 -12.741 1.685 5 HG21 THR 81 HG21 THR 81 13.265 -10.159 1.211 6 HG22 THR 81 HG22 THR 81 14.488 -9.518 2.311 7 HG23 THR 81 HG23 THR 81 14.465 -9.007 0.624 No H/Q in entry = 7 In of MODEL 22 1 H LEU 82 H LEU 82 12.487 -10.872 -0.054 2 HA LEU 82 HA LEU 82 11.341 -13.112 0.962 3 HB2 LEU 82 HB2 LEU 82 9.911 -11.282 -0.955 4 HB3 LEU 82 HB3 LEU 82 9.188 -12.284 0.291 5 HG LEU 82 HG LEU 82 11.011 -9.951 0.821 6 HD11 LEU 82 HD11 LEU 82 8.021 -10.197 1.006 7 HD12 LEU 82 HD12 LEU 82 8.973 -8.835 1.595 8 HD13 LEU 82 HD13 LEU 82 8.941 -9.203 -0.127 9 HD21 LEU 82 HD21 LEU 82 9.382 -11.683 2.670 10 HD22 LEU 82 HD22 LEU 82 11.141 -11.608 2.580 11 HD23 LEU 82 HD23 LEU 82 10.226 -10.209 3.142 No H/Q in entry = 11 In of MODEL 22 1 H SER 83 H SER 83 11.517 -12.358 -2.496 2 HA SER 83 HA SER 83 11.359 -13.639 -4.357 3 HB2 SER 83 HB2 SER 83 12.694 -15.335 -3.066 4 HB3 SER 83 HB3 SER 83 11.175 -16.067 -2.556 5 HG SER 83 HG SER 83 10.784 -16.743 -4.583 No H/Q in entry = 5 In of MODEL 22 1 H GLN 84 H GLN 84 9.131 -14.134 -1.748 2 HA GLN 84 HA GLN 84 6.975 -14.238 -3.725 3 HB2 GLN 84 HB2 GLN 84 5.610 -15.597 -2.192 4 HB3 GLN 84 HB3 GLN 84 7.075 -16.435 -2.675 5 HG2 GLN 84 HG2 GLN 84 8.072 -16.029 -0.505 6 HG3 GLN 84 HG3 GLN 84 6.717 -14.998 -0.041 7 HE21 GLN 84 HE21 GLN 84 4.754 -16.798 -1.301 8 HE22 GLN 84 HE22 GLN 84 4.622 -18.152 -0.222 No H/Q in entry = 8 In of MODEL 22 1 HA PRO 85 HA PRO 85 6.199 -10.379 -1.483 2 HB2 PRO 85 HB2 PRO 85 4.027 -9.606 -2.967 3 HB3 PRO 85 HB3 PRO 85 5.723 -9.277 -3.392 4 HG2 PRO 85 HG2 PRO 85 3.861 -11.351 -4.461 5 HG3 PRO 85 HG3 PRO 85 5.148 -10.443 -5.293 6 HD2 PRO 85 HD2 PRO 85 5.425 -13.079 -4.475 7 HD3 PRO 85 HD3 PRO 85 6.803 -11.937 -4.644 No H/Q in entry = 7 In of MODEL 22 1 H LYS 86 H LYS 86 4.561 -9.489 -0.201 2 HA LYS 86 HA LYS 86 2.556 -11.475 0.634 3 HB2 LYS 86 HB2 LYS 86 3.565 -9.110 2.235 4 HB3 LYS 86 HB3 LYS 86 2.506 -10.393 2.798 5 HG2 LYS 86 HG2 LYS 86 4.324 -11.970 2.843 6 HG3 LYS 86 HG3 LYS 86 5.367 -10.855 1.960 7 HD2 LYS 86 HD2 LYS 86 5.623 -9.442 3.810 8 HD3 LYS 86 HD3 LYS 86 4.247 -10.144 4.666 9 HE2 LYS 86 HE2 LYS 86 6.103 -11.023 5.767 10 HE3 LYS 86 HE3 LYS 86 5.626 -12.313 4.665 11 HZ1 LYS 86 HZ1 LYS 86 7.778 -10.339 4.158 12 HZ2 LYS 86 HZ2 LYS 86 8.020 -11.935 4.674 13 HZ3 LYS 86 HZ3 LYS 86 7.350 -11.627 3.147 No H/Q in entry = 13 In of MODEL 22 1 H ILE 87 H ILE 87 0.509 -10.881 0.994 2 HA ILE 87 HA ILE 87 -0.275 -8.169 0.167 3 HB ILE 87 HB ILE 87 -1.637 -10.746 -0.214 4 HG12 ILE 87 HG12 ILE 87 -1.128 -9.608 -2.192 5 HG13 ILE 87 HG13 ILE 87 -2.836 -9.210 -1.948 6 HG21 ILE 87 HG21 ILE 87 -3.182 -8.374 0.787 7 HG22 ILE 87 HG22 ILE 87 -3.910 -9.701 -0.118 8 HG23 ILE 87 HG23 ILE 87 -3.158 -10.010 1.451 9 HD11 ILE 87 HD11 ILE 87 -0.569 -7.442 -1.114 10 HD12 ILE 87 HD12 ILE 87 -1.465 -7.294 -2.621 11 HD13 ILE 87 HD13 ILE 87 -2.293 -7.073 -1.085 No H/Q in entry = 11 In of MODEL 22 1 H VAL 88 H VAL 88 -1.045 -6.784 1.597 2 HA VAL 88 HA VAL 88 -1.822 -7.804 4.242 3 HB VAL 88 HB VAL 88 0.184 -6.419 4.396 4 HG11 VAL 88 HG11 VAL 88 -1.438 -4.263 3.085 5 HG12 VAL 88 HG12 VAL 88 0.145 -4.037 3.827 6 HG13 VAL 88 HG13 VAL 88 -0.025 -5.076 2.405 7 HG21 VAL 88 HG21 VAL 88 -2.300 -5.084 5.436 8 HG22 VAL 88 HG22 VAL 88 -1.320 -6.299 6.259 9 HG23 VAL 88 HG23 VAL 88 -0.664 -4.685 5.962 No H/Q in entry = 9 In of MODEL 22 1 H LYS 89 H LYS 89 -3.936 -7.505 4.703 2 HA LYS 89 HA LYS 89 -5.385 -5.726 2.874 3 HB2 LYS 89 HB2 LYS 89 -6.585 -8.002 4.446 4 HB3 LYS 89 HB3 LYS 89 -7.311 -7.094 3.128 5 HG2 LYS 89 HG2 LYS 89 -6.073 -8.165 1.519 6 HG3 LYS 89 HG3 LYS 89 -4.784 -8.574 2.655 7 HD2 LYS 89 HD2 LYS 89 -7.551 -9.756 2.711 8 HD3 LYS 89 HD3 LYS 89 -6.155 -10.534 1.962 9 HE2 LYS 89 HE2 LYS 89 -5.032 -10.460 4.202 10 HE3 LYS 89 HE3 LYS 89 -6.552 -9.869 4.881 11 HZ1 LYS 89 HZ1 LYS 89 -6.306 -12.436 3.409 12 HZ2 LYS 89 HZ2 LYS 89 -6.187 -12.307 5.093 13 HZ3 LYS 89 HZ3 LYS 89 -7.635 -11.888 4.310 No H/Q in entry = 13 In of MODEL 22 1 H TRP 90 H TRP 90 -6.941 -4.349 3.668 2 HA TRP 90 HA TRP 90 -6.262 -3.343 6.289 3 HB2 TRP 90 HB2 TRP 90 -6.459 -1.776 4.403 4 HB3 TRP 90 HB3 TRP 90 -8.127 -2.272 4.169 5 HD1 TRP 90 HD1 TRP 90 -6.387 -1.017 7.454 6 HE1 TRP 90 HE1 TRP 90 -7.746 0.938 8.345 7 HE3 TRP 90 HE3 TRP 90 -9.876 -0.661 3.678 8 HZ2 TRP 90 HZ2 TRP 90 -10.039 2.406 7.626 9 HZ3 TRP 90 HZ3 TRP 90 -11.606 1.071 3.861 10 HH2 TRP 90 HH2 TRP 90 -11.689 2.590 5.775 No H/Q in entry = 10 In of MODEL 22 1 H ASP 91 H ASP 91 -7.355 -3.640 8.077 2 HA ASP 91 HA ASP 91 -9.386 -5.628 8.173 3 HB2 ASP 91 HB2 ASP 91 -8.371 -3.776 10.342 4 HB3 ASP 91 HB3 ASP 91 -9.363 -5.207 10.603 No H/Q in entry = 4 In of MODEL 22 1 H ARG 92 H ARG 92 -11.295 -5.055 7.246 2 HA ARG 92 HA ARG 92 -13.216 -3.679 8.629 3 HB2 ARG 92 HB2 ARG 92 -13.361 -1.484 7.825 4 HB3 ARG 92 HB3 ARG 92 -11.618 -1.723 7.896 5 HG2 ARG 92 HG2 ARG 92 -11.891 -0.718 5.843 6 HG3 ARG 92 HG3 ARG 92 -11.797 -2.427 5.411 7 HD2 ARG 92 HD2 ARG 92 -14.372 -2.395 5.473 8 HD3 ARG 92 HD3 ARG 92 -14.231 -0.633 5.495 9 HE ARG 92 HE ARG 92 -12.670 -1.664 3.400 10 HH11 ARG 92 HH11 ARG 92 -16.026 -1.216 4.321 11 HH12 ARG 92 HH12 ARG 92 -16.619 -1.384 2.696 12 HH21 ARG 92 HH21 ARG 92 -13.445 -1.863 1.274 13 HH22 ARG 92 HH22 ARG 92 -15.149 -1.767 0.965 No H/Q in entry = 13 In of MODEL 22 1 H ASP 93 H ASP 93 -12.021 -5.257 5.919 2 HA ASP 93 HA ASP 93 -14.660 -5.404 4.656 3 HB2 ASP 93 HB2 ASP 93 -13.343 -5.316 2.418 4 HB3 ASP 93 HB3 ASP 93 -13.785 -3.810 3.220 No H/Q in entry = 4 In of MODEL 22 1 HA MET 94 HA MET 94 -11.702 -9.118 3.801 2 HB2 MET 94 HB2 MET 94 -10.155 -10.087 5.551 3 HB3 MET 94 HB3 MET 94 -9.581 -8.631 4.743 4 HG2 MET 94 HG2 MET 94 -9.090 -8.647 7.151 5 HG3 MET 94 HG3 MET 94 -10.082 -7.271 6.676 6 HE1 MET 94 HE1 MET 94 -9.580 -8.253 9.690 7 HE2 MET 94 HE2 MET 94 -10.586 -6.859 9.286 8 HE3 MET 94 HE3 MET 94 -11.204 -8.113 10.362 No H/Q in entry = 8 In of MODEL 23 1 HA MET 1 HA MET 1 4.847 -8.203 7.033 2 HB2 MET 1 HB2 MET 1 5.378 -8.788 9.366 3 HB3 MET 1 HB3 MET 1 5.407 -7.081 9.790 4 HG2 MET 1 HG2 MET 1 3.048 -6.885 9.244 5 HG3 MET 1 HG3 MET 1 3.005 -8.580 8.765 6 HE1 MET 1 HE1 MET 1 0.948 -9.021 10.365 7 HE2 MET 1 HE2 MET 1 0.920 -8.584 12.074 8 HE3 MET 1 HE3 MET 1 0.959 -7.324 10.839 No H/Q in entry = 8 In of MODEL 23 1 H ILE 2 H ILE 2 3.324 -6.932 6.179 2 HA ILE 2 HA ILE 2 3.803 -4.033 6.280 3 HB ILE 2 HB ILE 2 1.666 -5.114 4.507 4 HG12 ILE 2 HG12 ILE 2 4.542 -5.418 3.643 5 HG13 ILE 2 HG13 ILE 2 3.607 -6.748 4.325 6 HG21 ILE 2 HG21 ILE 2 2.288 -2.724 4.565 7 HG22 ILE 2 HG22 ILE 2 3.893 -3.158 3.956 8 HG23 ILE 2 HG23 ILE 2 2.463 -3.453 2.971 9 HD11 ILE 2 HD11 ILE 2 2.903 -5.207 1.837 10 HD12 ILE 2 HD12 ILE 2 3.620 -6.819 1.893 11 HD13 ILE 2 HD13 ILE 2 1.988 -6.557 2.512 No H/Q in entry = 11 In of MODEL 23 1 H GLN 3 H GLN 3 2.149 -2.593 6.778 2 HA GLN 3 HA GLN 3 -0.374 -3.764 7.733 3 HB2 GLN 3 HB2 GLN 3 1.393 -1.825 9.222 4 HB3 GLN 3 HB3 GLN 3 -0.316 -2.047 9.611 5 HG2 GLN 3 HG2 GLN 3 0.079 -4.414 10.114 6 HG3 GLN 3 HG3 GLN 3 1.798 -4.207 9.693 7 HE21 GLN 3 HE21 GLN 3 1.955 -1.564 10.895 8 HE22 GLN 3 HE22 GLN 3 1.962 -1.803 12.610 No H/Q in entry = 8 In of MODEL 23 1 H VAL 4 H VAL 4 -1.963 -2.887 6.574 2 HA VAL 4 HA VAL 4 -1.608 -0.212 5.467 3 HB VAL 4 HB VAL 4 -3.911 -0.811 4.356 4 HG11 VAL 4 HG11 VAL 4 -1.339 -2.173 3.543 5 HG12 VAL 4 HG12 VAL 4 -2.735 -1.912 2.501 6 HG13 VAL 4 HG13 VAL 4 -1.831 -0.535 3.122 7 HG21 VAL 4 HG21 VAL 4 -4.291 -2.809 5.735 8 HG22 VAL 4 HG22 VAL 4 -4.259 -3.182 4.012 9 HG23 VAL 4 HG23 VAL 4 -2.863 -3.559 5.022 No H/Q in entry = 9 In of MODEL 23 1 H TYR 5 H TYR 5 -3.199 1.372 5.614 2 HA TYR 5 HA TYR 5 -5.204 1.266 7.707 3 HB2 TYR 5 HB2 TYR 5 -2.752 3.031 7.896 4 HB3 TYR 5 HB3 TYR 5 -4.246 3.400 8.742 5 HD1 TYR 5 HD1 TYR 5 -5.081 0.873 9.919 6 HD2 TYR 5 HD2 TYR 5 -1.138 2.396 9.402 7 HE1 TYR 5 HE1 TYR 5 -4.303 -0.489 11.830 8 HE2 TYR 5 HE2 TYR 5 -0.355 1.041 11.300 9 HH TYR 5 HH TYR 5 -1.221 -0.021 13.264 No H/Q in entry = 9 In of MODEL 23 1 H SER 6 H SER 6 -6.213 3.590 7.850 2 HA SER 6 HA SER 6 -5.878 5.018 5.288 3 HB2 SER 6 HB2 SER 6 -8.485 4.623 6.790 4 HB3 SER 6 HB3 SER 6 -8.266 5.542 5.294 5 HG SER 6 HG SER 6 -7.341 2.934 5.235 No H/Q in entry = 5 In of MODEL 23 1 H ARG 7 H ARG 7 -6.439 7.290 5.367 2 HA ARG 7 HA ARG 7 -5.461 8.495 7.809 3 HB2 ARG 7 HB2 ARG 7 -5.348 9.177 5.100 4 HB3 ARG 7 HB3 ARG 7 -6.388 10.394 5.821 5 HG2 ARG 7 HG2 ARG 7 -3.539 9.743 6.501 6 HG3 ARG 7 HG3 ARG 7 -4.203 11.261 5.896 7 HD2 ARG 7 HD2 ARG 7 -3.924 11.745 8.134 8 HD3 ARG 7 HD3 ARG 7 -5.604 11.194 8.089 9 HE ARG 7 HE ARG 7 -4.421 8.921 8.671 10 HH11 ARG 7 HH11 ARG 7 -3.677 12.103 9.934 11 HH12 ARG 7 HH12 ARG 7 -3.192 11.500 11.494 12 HH21 ARG 7 HH21 ARG 7 -3.779 8.141 10.722 13 HH22 ARG 7 HH22 ARG 7 -3.249 9.265 11.934 No H/Q in entry = 13 In of MODEL 23 1 H HIS 8 H HIS 8 -8.496 7.774 6.519 2 HA HIS 8 HA HIS 8 -9.804 9.397 8.565 3 HB2 HIS 8 HB2 HIS 8 -10.571 9.361 5.637 4 HB3 HIS 8 HB3 HIS 8 -11.630 9.953 6.911 5 HD2 HIS 8 HD2 HIS 8 -10.707 12.323 8.203 6 HE1 HIS 8 HE1 HIS 8 -8.097 13.295 5.024 7 HE2 HIS 8 HE2 HIS 8 -9.385 14.204 7.004 No H/Q in entry = 7 In of MODEL 23 1 HA PRO 9 HA PRO 9 -12.313 5.802 9.273 2 HB2 PRO 9 HB2 PRO 9 -14.799 7.390 9.111 3 HB3 PRO 9 HB3 PRO 9 -14.123 6.487 10.478 4 HG2 PRO 9 HG2 PRO 9 -14.101 9.186 10.435 5 HG3 PRO 9 HG3 PRO 9 -12.740 8.259 11.111 6 HD2 PRO 9 HD2 PRO 9 -12.998 9.560 8.419 7 HD3 PRO 9 HD3 PRO 9 -11.614 9.592 9.542 No H/Q in entry = 7 In of MODEL 23 1 H ALA 10 H ALA 10 -13.200 4.209 8.089 2 HA ALA 10 HA ALA 10 -13.608 4.396 5.332 3 HB1 ALA 10 HB1 ALA 10 -14.531 2.124 5.499 4 HB2 ALA 10 HB2 ALA 10 -13.081 2.291 6.486 5 HB3 ALA 10 HB3 ALA 10 -14.671 2.309 7.245 No H/Q in entry = 5 In of MODEL 23 1 H GLU 11 H GLU 11 -15.171 5.825 4.539 2 HA GLU 11 HA GLU 11 -17.898 5.239 5.493 3 HB2 GLU 11 HB2 GLU 11 -16.650 7.737 4.468 4 HB3 GLU 11 HB3 GLU 11 -18.355 7.477 4.136 5 HG2 GLU 11 HG2 GLU 11 -17.066 7.535 6.856 6 HG3 GLU 11 HG3 GLU 11 -18.049 8.798 6.134 No H/Q in entry = 6 In of MODEL 23 1 H ASN 12 H ASN 12 -19.235 4.195 4.187 2 HA ASN 12 HA ASN 12 -18.406 3.178 1.668 3 HB2 ASN 12 HB2 ASN 12 -20.874 3.043 3.401 4 HB3 ASN 12 HB3 ASN 12 -21.021 2.473 1.754 5 HD21 ASN 12 HD21 ASN 12 -21.446 0.394 2.516 6 HD22 ASN 12 HD22 ASN 12 -20.208 -0.631 3.177 No H/Q in entry = 6 In of MODEL 23 1 H GLY 13 H GLY 13 -18.051 4.667 0.102 2 HA2 GLY 13 HA2 GLY 13 -20.334 6.412 -0.625 3 HA3 GLY 13 HA3 GLY 13 -19.371 5.573 -1.832 No H/Q in entry = 3 In of MODEL 23 1 H LYS 14 H LYS 14 -17.356 6.666 0.664 2 HA LYS 14 HA LYS 14 -16.925 9.236 -0.736 3 HB2 LYS 14 HB2 LYS 14 -15.333 8.328 1.645 4 HB3 LYS 14 HB3 LYS 14 -15.626 9.960 1.084 5 HG2 LYS 14 HG2 LYS 14 -17.617 8.158 2.432 6 HG3 LYS 14 HG3 LYS 14 -16.747 9.504 3.153 7 HD2 LYS 14 HD2 LYS 14 -18.724 9.727 0.901 8 HD3 LYS 14 HD3 LYS 14 -19.053 10.063 2.611 9 HE2 LYS 14 HE2 LYS 14 -17.137 11.532 0.790 10 HE3 LYS 14 HE3 LYS 14 -18.651 12.142 1.452 11 HZ1 LYS 14 HZ1 LYS 14 -17.668 11.926 3.691 12 HZ2 LYS 14 HZ2 LYS 14 -16.193 11.473 2.985 13 HZ3 LYS 14 HZ3 LYS 14 -16.822 13.020 2.708 No H/Q in entry = 13 In of MODEL 23 1 H SER 15 H SER 15 -14.938 9.835 -1.571 2 HA SER 15 HA SER 15 -13.035 7.652 -1.963 3 HB2 SER 15 HB2 SER 15 -11.966 9.556 -3.479 4 HB3 SER 15 HB3 SER 15 -13.250 8.498 -4.066 5 HG SER 15 HG SER 15 -13.248 11.201 -3.552 No H/Q in entry = 5 In of MODEL 23 1 H ASN 16 H ASN 16 -10.849 7.903 -1.465 2 HA ASN 16 HA ASN 16 -9.879 9.994 0.232 3 HB2 ASN 16 HB2 ASN 16 -11.738 8.523 1.546 4 HB3 ASN 16 HB3 ASN 16 -10.325 7.492 1.785 5 HD21 ASN 16 HD21 ASN 16 -12.050 9.217 3.542 6 HD22 ASN 16 HD22 ASN 16 -10.907 10.182 4.416 No H/Q in entry = 6 In of MODEL 23 1 H PHE 17 H PHE 17 -7.928 8.613 1.642 2 HA PHE 17 HA PHE 17 -6.525 7.395 -0.654 3 HB2 PHE 17 HB2 PHE 17 -5.489 9.094 1.608 4 HB3 PHE 17 HB3 PHE 17 -4.424 8.166 0.559 5 HD1 PHE 17 HD1 PHE 17 -4.670 11.255 1.025 6 HD2 PHE 17 HD2 PHE 17 -6.076 8.597 -2.004 7 HE1 PHE 17 HE1 PHE 17 -4.662 13.098 -0.599 8 HE2 PHE 17 HE2 PHE 17 -6.064 10.444 -3.627 9 HZ PHE 17 HZ PHE 17 -5.358 12.696 -2.926 No H/Q in entry = 9 In of MODEL 23 1 H LEU 18 H LEU 18 -5.724 5.404 -0.531 2 HA LEU 18 HA LEU 18 -5.857 3.975 2.023 3 HB2 LEU 18 HB2 LEU 18 -6.727 2.715 0.184 4 HB3 LEU 18 HB3 LEU 18 -5.320 3.068 -0.802 5 HG LEU 18 HG LEU 18 -3.929 1.582 0.594 6 HD11 LEU 18 HD11 LEU 18 -6.481 1.119 2.145 7 HD12 LEU 18 HD12 LEU 18 -5.028 0.131 2.275 8 HD13 LEU 18 HD13 LEU 18 -4.980 1.826 2.748 9 HD21 LEU 18 HD21 LEU 18 -6.502 0.318 -0.354 10 HD22 LEU 18 HD22 LEU 18 -5.053 0.611 -1.318 11 HD23 LEU 18 HD23 LEU 18 -5.010 -0.548 0.010 No H/Q in entry = 11 In of MODEL 23 1 H ASN 19 H ASN 19 -4.149 3.644 3.266 2 HA ASN 19 HA ASN 19 -1.530 4.449 2.194 3 HB2 ASN 19 HB2 ASN 19 -2.773 4.816 4.918 4 HB3 ASN 19 HB3 ASN 19 -1.030 4.947 4.677 5 HD21 ASN 19 HD21 ASN 19 -2.934 6.954 5.548 6 HD22 ASN 19 HD22 ASN 19 -2.822 8.249 4.407 No H/Q in entry = 6 In of MODEL 23 1 H CYS 20 H CYS 20 -0.086 2.889 1.966 2 HA CYS 20 HA CYS 20 -0.181 0.525 3.768 3 HB2 CYS 20 HB2 CYS 20 -0.403 -0.179 1.464 4 HB3 CYS 20 HB3 CYS 20 0.997 0.794 0.975 No H/Q in entry = 4 In of MODEL 23 1 H TYR 21 H TYR 21 1.417 0.420 5.206 2 HA TYR 21 HA TYR 21 3.791 2.096 4.825 3 HB2 TYR 21 HB2 TYR 21 2.976 0.586 7.316 4 HB3 TYR 21 HB3 TYR 21 4.230 1.810 7.189 5 HD1 TYR 21 HD1 TYR 21 3.637 4.178 6.926 6 HD2 TYR 21 HD2 TYR 21 0.676 1.181 7.483 7 HE1 TYR 21 HE1 TYR 21 1.976 5.925 7.440 8 HE2 TYR 21 HE2 TYR 21 -0.994 2.919 8.001 9 HH TYR 21 HH TYR 21 -0.444 6.231 7.419 No H/Q in entry = 9 In of MODEL 23 1 H VAL 22 H VAL 22 5.679 1.313 4.284 2 HA VAL 22 HA VAL 22 6.163 -1.577 4.595 3 HB VAL 22 HB VAL 22 6.966 0.198 2.245 4 HG11 VAL 22 HG11 VAL 22 8.614 -1.564 2.823 5 HG12 VAL 22 HG12 VAL 22 7.353 -2.780 2.599 6 HG13 VAL 22 HG13 VAL 22 7.879 -1.789 1.235 7 HG21 VAL 22 HG21 VAL 22 4.589 -0.360 2.201 8 HG22 VAL 22 HG22 VAL 22 5.460 -1.191 0.911 9 HG23 VAL 22 HG23 VAL 22 4.975 -2.075 2.359 No H/Q in entry = 9 In of MODEL 23 1 H SER 23 H SER 23 7.773 -1.622 6.160 2 HA SER 23 HA SER 23 9.685 0.626 6.191 3 HB2 SER 23 HB2 SER 23 8.116 0.522 8.114 4 HB3 SER 23 HB3 SER 23 8.758 -1.066 8.526 5 HG SER 23 HG SER 23 10.220 -0.035 9.604 No H/Q in entry = 5 In of MODEL 23 1 H GLY 24 H GLY 24 11.862 0.232 6.314 2 HA2 GLY 24 HA2 GLY 24 12.797 -2.473 6.983 3 HA3 GLY 24 HA3 GLY 24 13.767 -1.009 6.992 No H/Q in entry = 3 In of MODEL 23 1 H PHE 25 H PHE 25 12.134 -0.787 4.211 2 HA PHE 25 HA PHE 25 14.135 -2.349 2.706 3 HB2 PHE 25 HB2 PHE 25 11.346 -1.598 1.837 4 HB3 PHE 25 HB3 PHE 25 12.485 -2.596 0.941 5 HD1 PHE 25 HD1 PHE 25 10.258 -2.489 3.872 6 HD2 PHE 25 HD2 PHE 25 12.868 -4.905 1.522 7 HE1 PHE 25 HE1 PHE 25 9.392 -4.510 4.996 8 HE2 PHE 25 HE2 PHE 25 12.005 -6.933 2.642 9 HZ PHE 25 HZ PHE 25 10.237 -6.721 4.350 No H/Q in entry = 9 In of MODEL 23 1 H HIS 26 H HIS 26 15.113 -1.447 0.932 2 HA HIS 26 HA HIS 26 15.356 1.415 0.938 3 HB2 HIS 26 HB2 HIS 26 16.534 -0.519 -1.065 4 HB3 HIS 26 HB3 HIS 26 17.113 1.099 -0.673 5 HD2 HIS 26 HD2 HIS 26 18.057 1.264 2.111 6 HE1 HIS 26 HE1 HIS 26 19.117 -2.827 2.082 7 HE2 HIS 26 HE2 HIS 26 19.144 -0.685 3.432 No H/Q in entry = 7 In of MODEL 23 1 HA PRO 27 HA PRO 27 11.695 2.241 -1.372 2 HB2 PRO 27 HB2 PRO 27 13.453 4.531 -2.195 3 HB3 PRO 27 HB3 PRO 27 11.748 4.549 -1.720 4 HG2 PRO 27 HG2 PRO 27 13.587 5.249 0.054 5 HG3 PRO 27 HG3 PRO 27 12.232 4.198 0.541 6 HD2 PRO 27 HD2 PRO 27 15.103 3.504 0.051 7 HD3 PRO 27 HD3 PRO 27 13.944 2.803 1.206 No H/Q in entry = 7 In of MODEL 23 1 H SER 28 H SER 28 14.821 2.328 -3.089 2 HA SER 28 HA SER 28 13.439 2.493 -5.620 3 HB2 SER 28 HB2 SER 28 15.525 3.748 -5.262 4 HB3 SER 28 HB3 SER 28 16.400 2.233 -5.041 5 HG SER 28 HG SER 28 14.904 2.575 -7.387 No H/Q in entry = 5 In of MODEL 23 1 H ASP 29 H ASP 29 14.968 -0.040 -3.702 2 HA ASP 29 HA ASP 29 14.962 -1.815 -6.030 3 HB2 ASP 29 HB2 ASP 29 16.231 -2.166 -3.306 4 HB3 ASP 29 HB3 ASP 29 16.307 -3.345 -4.610 No H/Q in entry = 4 In of MODEL 23 1 H ILE 30 H ILE 30 12.552 -1.040 -4.224 2 HA ILE 30 HA ILE 30 11.761 -3.856 -3.784 3 HB ILE 30 HB ILE 30 10.666 -3.385 -1.831 4 HG12 ILE 30 HG12 ILE 30 10.445 -0.451 -2.593 5 HG13 ILE 30 HG13 ILE 30 9.178 -1.668 -2.787 6 HG21 ILE 30 HG21 ILE 30 12.850 -1.325 -1.899 7 HG22 ILE 30 HG22 ILE 30 12.003 -1.826 -0.435 8 HG23 ILE 30 HG23 ILE 30 12.962 -2.994 -1.342 9 HD11 ILE 30 HD11 ILE 30 9.226 -2.002 -0.320 10 HD12 ILE 30 HD12 ILE 30 10.344 -0.643 -0.214 11 HD13 ILE 30 HD13 ILE 30 8.713 -0.395 -0.832 No H/Q in entry = 11 In of MODEL 23 1 H GLU 31 H GLU 31 9.379 -4.180 -3.817 2 HA GLU 31 HA GLU 31 8.062 -2.447 -5.806 3 HB2 GLU 31 HB2 GLU 31 8.088 -5.466 -5.652 4 HB3 GLU 31 HB3 GLU 31 6.955 -4.552 -6.637 5 HG2 GLU 31 HG2 GLU 31 8.694 -3.714 -8.029 6 HG3 GLU 31 HG3 GLU 31 9.946 -4.304 -6.939 No H/Q in entry = 6 In of MODEL 23 1 H VAL 32 H VAL 32 6.342 -1.534 -4.868 2 HA VAL 32 HA VAL 32 4.598 -3.197 -3.207 3 HB VAL 32 HB VAL 32 5.370 -2.101 -1.365 4 HG11 VAL 32 HG11 VAL 32 7.191 -1.020 -2.602 5 HG12 VAL 32 HG12 VAL 32 6.100 0.291 -3.048 6 HG13 VAL 32 HG13 VAL 32 6.520 0.026 -1.353 7 HG21 VAL 32 HG21 VAL 32 3.080 -1.309 -1.556 8 HG22 VAL 32 HG22 VAL 32 4.104 -0.084 -0.805 9 HG23 VAL 32 HG23 VAL 32 3.622 0.083 -2.494 No H/Q in entry = 9 In of MODEL 23 1 H ASP 33 H ASP 33 2.477 -2.987 -3.670 2 HA ASP 33 HA ASP 33 1.634 -0.731 -5.375 3 HB2 ASP 33 HB2 ASP 33 0.969 -3.675 -5.859 4 HB3 ASP 33 HB3 ASP 33 0.231 -2.325 -6.724 No H/Q in entry = 4 In of MODEL 23 1 H LEU 34 H LEU 34 -0.753 -0.511 -5.416 2 HA LEU 34 HA LEU 34 -1.994 -1.481 -2.939 3 HB2 LEU 34 HB2 LEU 34 -2.343 1.025 -4.513 4 HB3 LEU 34 HB3 LEU 34 -3.732 0.396 -3.654 5 HG LEU 34 HG LEU 34 -2.353 0.458 -1.541 6 HD11 LEU 34 HD11 LEU 34 -0.148 0.579 -2.770 7 HD12 LEU 34 HD12 LEU 34 -0.523 2.268 -3.086 8 HD13 LEU 34 HD13 LEU 34 -0.351 1.701 -1.425 9 HD21 LEU 34 HD21 LEU 34 -4.008 2.159 -2.072 10 HD22 LEU 34 HD22 LEU 34 -2.635 2.825 -1.191 11 HD23 LEU 34 HD23 LEU 34 -2.778 3.087 -2.930 No H/Q in entry = 11 In of MODEL 23 1 H LEU 35 H LEU 35 -3.620 -2.907 -3.069 2 HA LEU 35 HA LEU 35 -4.575 -3.629 -5.756 3 HB2 LEU 35 HB2 LEU 35 -4.088 -5.489 -3.421 4 HB3 LEU 35 HB3 LEU 35 -4.623 -5.943 -5.021 5 HG LEU 35 HG LEU 35 -1.897 -5.126 -4.098 6 HD11 LEU 35 HD11 LEU 35 -3.068 -7.403 -5.686 7 HD12 LEU 35 HD12 LEU 35 -1.343 -7.161 -5.448 8 HD13 LEU 35 HD13 LEU 35 -2.390 -7.464 -4.060 9 HD21 LEU 35 HD21 LEU 35 -2.352 -3.726 -6.077 10 HD22 LEU 35 HD22 LEU 35 -1.134 -4.960 -6.391 11 HD23 LEU 35 HD23 LEU 35 -2.774 -5.174 -6.987 No H/Q in entry = 11 In of MODEL 23 1 H LYS 36 H LYS 36 -6.546 -4.897 -5.806 2 HA LYS 36 HA LYS 36 -8.341 -4.665 -3.483 3 HB2 LYS 36 HB2 LYS 36 -9.497 -5.078 -6.205 4 HB3 LYS 36 HB3 LYS 36 -10.166 -4.178 -4.829 5 HG2 LYS 36 HG2 LYS 36 -8.677 -2.331 -5.337 6 HG3 LYS 36 HG3 LYS 36 -7.919 -3.231 -6.636 7 HD2 LYS 36 HD2 LYS 36 -9.505 -1.577 -7.508 8 HD3 LYS 36 HD3 LYS 36 -10.000 -3.223 -7.923 9 HE2 LYS 36 HE2 LYS 36 -11.912 -1.762 -7.222 10 HE3 LYS 36 HE3 LYS 36 -11.720 -3.158 -6.163 11 HZ1 LYS 36 HZ1 LYS 36 -10.653 -0.453 -5.566 12 HZ2 LYS 36 HZ2 LYS 36 -12.155 -1.014 -5.023 13 HZ3 LYS 36 HZ3 LYS 36 -10.726 -1.773 -4.513 No H/Q in entry = 13 In of MODEL 23 1 H ASN 37 H ASN 37 -8.326 -6.740 -2.651 2 HA ASN 37 HA ASN 37 -7.919 -9.005 -2.636 3 HB2 ASN 37 HB2 ASN 37 -9.811 -10.188 -3.971 4 HB3 ASN 37 HB3 ASN 37 -10.253 -9.116 -2.649 5 HD21 ASN 37 HD21 ASN 37 -10.868 -6.927 -3.228 6 HD22 ASN 37 HD22 ASN 37 -11.675 -6.628 -4.726 No H/Q in entry = 6 In of MODEL 23 1 H GLY 38 H GLY 38 -5.924 -8.223 -3.975 2 HA2 GLY 38 HA2 GLY 38 -5.432 -10.322 -5.829 3 HA3 GLY 38 HA3 GLY 38 -4.294 -9.083 -5.363 No H/Q in entry = 3 In of MODEL 23 1 H GLU 39 H GLU 39 -6.213 -6.923 -6.293 2 HA GLU 39 HA GLU 39 -5.641 -7.282 -9.150 3 HB2 GLU 39 HB2 GLU 39 -8.089 -7.601 -8.660 4 HB3 GLU 39 HB3 GLU 39 -8.138 -5.934 -8.097 5 HG2 GLU 39 HG2 GLU 39 -8.956 -6.199 -10.426 6 HG3 GLU 39 HG3 GLU 39 -7.564 -5.116 -10.287 No H/Q in entry = 6 In of MODEL 23 1 H ARG 40 H ARG 40 -4.304 -5.805 -9.821 2 HA ARG 40 HA ARG 40 -3.318 -3.676 -8.288 3 HB2 ARG 40 HB2 ARG 40 -2.638 -4.938 -10.679 4 HB3 ARG 40 HB3 ARG 40 -3.038 -3.311 -11.197 5 HG2 ARG 40 HG2 ARG 40 -1.385 -2.418 -9.600 6 HG3 ARG 40 HG3 ARG 40 -0.965 -4.067 -9.141 7 HD2 ARG 40 HD2 ARG 40 0.663 -3.198 -10.731 8 HD3 ARG 40 HD3 ARG 40 -0.245 -4.516 -11.475 9 HE ARG 40 HE ARG 40 -1.637 -2.638 -12.491 10 HH11 ARG 40 HH11 ARG 40 1.782 -2.335 -11.744 11 HH12 ARG 40 HH12 ARG 40 2.086 -1.186 -13.017 12 HH21 ARG 40 HH21 ARG 40 -1.255 -1.115 -14.144 13 HH22 ARG 40 HH22 ARG 40 0.351 -0.474 -14.371 No H/Q in entry = 13 In of MODEL 23 1 H ILE 41 H ILE 41 -4.313 -1.873 -7.708 2 HA ILE 41 HA ILE 41 -6.719 -0.919 -8.817 3 HB ILE 41 HB ILE 41 -4.732 0.505 -7.038 4 HG12 ILE 41 HG12 ILE 41 -7.236 -1.047 -6.344 5 HG13 ILE 41 HG13 ILE 41 -5.590 -1.638 -6.127 6 HG21 ILE 41 HG21 ILE 41 -6.261 2.069 -8.142 7 HG22 ILE 41 HG22 ILE 41 -7.638 1.130 -7.571 8 HG23 ILE 41 HG23 ILE 41 -6.596 1.959 -6.415 9 HD11 ILE 41 HD11 ILE 41 -6.453 0.896 -4.815 10 HD12 ILE 41 HD12 ILE 41 -6.865 -0.675 -4.117 11 HD13 ILE 41 HD13 ILE 41 -5.172 -0.236 -4.371 No H/Q in entry = 11 In of MODEL 23 1 H GLU 42 H GLU 42 -3.752 1.019 -8.634 2 HA GLU 42 HA GLU 42 -2.288 1.152 -10.584 3 HB2 GLU 42 HB2 GLU 42 -4.839 1.715 -12.098 4 HB3 GLU 42 HB3 GLU 42 -3.223 1.904 -12.748 5 HG2 GLU 42 HG2 GLU 42 -2.993 -0.619 -12.130 6 HG3 GLU 42 HG3 GLU 42 -4.759 -0.571 -12.150 No H/Q in entry = 6 In of MODEL 23 1 H LYS 43 H LYS 43 -4.846 3.220 -9.303 2 HA LYS 43 HA LYS 43 -3.736 5.609 -10.507 3 HB2 LYS 43 HB2 LYS 43 -5.765 5.485 -8.270 4 HB3 LYS 43 HB3 LYS 43 -5.533 6.758 -9.454 5 HG2 LYS 43 HG2 LYS 43 -6.786 4.044 -9.911 6 HG3 LYS 43 HG3 LYS 43 -7.562 5.626 -9.991 7 HD2 LYS 43 HD2 LYS 43 -6.202 6.211 -11.932 8 HD3 LYS 43 HD3 LYS 43 -5.387 4.648 -11.836 9 HE2 LYS 43 HE2 LYS 43 -8.372 4.853 -12.131 10 HE3 LYS 43 HE3 LYS 43 -7.303 4.900 -13.532 11 HZ1 LYS 43 HZ1 LYS 43 -7.199 2.701 -11.550 12 HZ2 LYS 43 HZ2 LYS 43 -8.228 2.656 -12.892 13 HZ3 LYS 43 HZ3 LYS 43 -6.550 2.738 -13.114 No H/Q in entry = 13 In of MODEL 23 1 H VAL 44 H VAL 44 -1.670 4.529 -9.237 2 HA VAL 44 HA VAL 44 -1.557 5.761 -6.579 3 HB VAL 44 HB VAL 44 -1.623 3.049 -6.936 4 HG11 VAL 44 HG11 VAL 44 1.280 3.794 -6.801 5 HG12 VAL 44 HG12 VAL 44 0.633 2.177 -6.512 6 HG13 VAL 44 HG13 VAL 44 0.480 2.918 -8.107 7 HG21 VAL 44 HG21 VAL 44 -0.157 4.527 -4.772 8 HG22 VAL 44 HG22 VAL 44 -1.884 4.177 -4.819 9 HG23 VAL 44 HG23 VAL 44 -0.722 2.857 -4.677 No H/Q in entry = 9 In of MODEL 23 1 H GLU 45 H GLU 45 0.261 6.939 -6.218 2 HA GLU 45 HA GLU 45 2.520 6.640 -8.052 3 HB2 GLU 45 HB2 GLU 45 0.802 9.059 -7.818 4 HB3 GLU 45 HB3 GLU 45 2.530 9.286 -8.047 5 HG2 GLU 45 HG2 GLU 45 0.751 7.669 -9.852 6 HG3 GLU 45 HG3 GLU 45 1.259 9.332 -10.149 No H/Q in entry = 6 In of MODEL 23 1 H HIS 46 H HIS 46 4.101 6.150 -6.638 2 HA HIS 46 HA HIS 46 4.996 8.492 -5.161 3 HB2 HIS 46 HB2 HIS 46 4.079 7.075 -3.403 4 HB3 HIS 46 HB3 HIS 46 4.978 5.690 -4.013 5 HD2 HIS 46 HD2 HIS 46 6.192 9.286 -2.880 6 HE1 HIS 46 HE1 HIS 46 8.581 6.284 -1.104 7 HE2 HIS 46 HE2 HIS 46 8.026 8.760 -1.121 No H/Q in entry = 7 In of MODEL 23 1 H SER 47 H SER 47 6.893 9.025 -5.888 2 HA SER 47 HA SER 47 8.472 7.040 -7.339 3 HB2 SER 47 HB2 SER 47 8.797 10.046 -7.167 4 HB3 SER 47 HB3 SER 47 9.675 8.965 -8.249 5 HG SER 47 HG SER 47 6.845 9.136 -8.242 No H/Q in entry = 5 In of MODEL 23 1 H ASP 48 H ASP 48 10.455 6.409 -6.718 2 HA ASP 48 HA ASP 48 10.932 6.474 -3.938 3 HB2 ASP 48 HB2 ASP 48 12.614 4.899 -4.310 4 HB3 ASP 48 HB3 ASP 48 11.496 4.622 -5.642 No H/Q in entry = 4 In of MODEL 23 1 H LEU 49 H LEU 49 12.987 6.980 -2.937 2 HA LEU 49 HA LEU 49 14.386 9.276 -4.097 3 HB2 LEU 49 HB2 LEU 49 14.237 10.356 -1.777 4 HB3 LEU 49 HB3 LEU 49 12.805 10.417 -2.790 5 HG LEU 49 HG LEU 49 12.475 9.973 -0.291 6 HD11 LEU 49 HD11 LEU 49 10.700 9.639 -1.953 7 HD12 LEU 49 HD12 LEU 49 11.229 7.967 -2.151 8 HD13 LEU 49 HD13 LEU 49 10.603 8.513 -0.600 9 HD21 LEU 49 HD21 LEU 49 14.226 8.330 0.046 10 HD22 LEU 49 HD22 LEU 49 12.648 7.670 0.476 11 HD23 LEU 49 HD23 LEU 49 13.407 7.218 -1.050 No H/Q in entry = 11 In of MODEL 23 1 H SER 50 H SER 50 15.203 6.506 -3.745 2 HA SER 50 HA SER 50 16.629 6.415 -1.213 3 HB2 SER 50 HB2 SER 50 15.294 4.470 -2.147 4 HB3 SER 50 HB3 SER 50 16.568 4.289 -3.353 5 HG SER 50 HG SER 50 18.035 4.153 -1.462 No H/Q in entry = 5 In of MODEL 23 1 H PHE 51 H PHE 51 17.424 6.087 -4.689 2 HA PHE 51 HA PHE 51 19.423 6.055 -5.780 3 HB2 PHE 51 HB2 PHE 51 20.199 8.162 -3.745 4 HB3 PHE 51 HB3 PHE 51 20.866 7.952 -5.362 5 HD1 PHE 51 HD1 PHE 51 18.535 9.710 -3.412 6 HD2 PHE 51 HD2 PHE 51 19.132 8.126 -7.315 7 HE1 PHE 51 HE1 PHE 51 16.844 11.263 -4.297 8 HE2 PHE 51 HE2 PHE 51 17.443 9.675 -8.205 9 HZ PHE 51 HZ PHE 51 16.299 11.247 -6.697 No H/Q in entry = 9 In of MODEL 23 1 H SER 52 H SER 52 19.391 3.907 -4.335 2 HA SER 52 HA SER 52 20.596 2.294 -3.299 3 HB2 SER 52 HB2 SER 52 22.936 4.180 -3.695 4 HB3 SER 52 HB3 SER 52 23.042 2.458 -3.325 5 HG SER 52 HG SER 52 21.485 2.636 -5.416 No H/Q in entry = 5 In of MODEL 23 1 H LYS 53 H LYS 53 22.791 2.545 -1.480 2 HA LYS 53 HA LYS 53 23.332 2.998 0.679 3 HB2 LYS 53 HB2 LYS 53 21.434 5.338 0.415 4 HB3 LYS 53 HB3 LYS 53 22.598 5.100 1.711 5 HG2 LYS 53 HG2 LYS 53 23.387 5.345 -1.179 6 HG3 LYS 53 HG3 LYS 53 23.260 6.725 -0.088 7 HD2 LYS 53 HD2 LYS 53 24.981 5.854 1.326 8 HD3 LYS 53 HD3 LYS 53 24.991 4.318 0.456 9 HE2 LYS 53 HE2 LYS 53 26.881 5.856 -0.112 10 HE3 LYS 53 HE3 LYS 53 25.910 5.336 -1.488 11 HZ1 LYS 53 HZ1 LYS 53 25.564 7.934 -0.088 12 HZ2 LYS 53 HZ2 LYS 53 26.455 7.726 -1.511 13 HZ3 LYS 53 HZ3 LYS 53 24.785 7.435 -1.510 No H/Q in entry = 13 In of MODEL 23 1 H ASP 54 H ASP 54 22.517 2.816 2.889 2 HA ASP 54 HA ASP 54 19.751 1.798 2.987 3 HB2 ASP 54 HB2 ASP 54 21.288 0.025 3.578 4 HB3 ASP 54 HB3 ASP 54 22.149 1.075 4.705 No H/Q in entry = 4 In of MODEL 23 1 H TRP 55 H TRP 55 18.538 3.447 3.588 2 HA TRP 55 HA TRP 55 19.055 4.895 6.031 3 HB2 TRP 55 HB2 TRP 55 20.379 6.385 4.920 4 HB3 TRP 55 HB3 TRP 55 19.716 5.962 3.351 5 HD1 TRP 55 HD1 TRP 55 19.152 8.378 6.310 6 HE1 TRP 55 HE1 TRP 55 17.637 10.295 5.477 7 HE3 TRP 55 HE3 TRP 55 17.938 6.556 1.620 8 HZ2 TRP 55 HZ2 TRP 55 16.153 10.955 3.185 9 HZ3 TRP 55 HZ3 TRP 55 16.469 7.913 0.207 10 HH2 TRP 55 HH2 TRP 55 15.594 10.057 0.961 No H/Q in entry = 10 In of MODEL 23 1 H SER 56 H SER 56 17.000 3.344 4.165 2 HA SER 56 HA SER 56 14.895 4.990 3.466 3 HB2 SER 56 HB2 SER 56 15.120 2.613 2.812 4 HB3 SER 56 HB3 SER 56 14.692 2.142 4.457 5 HG SER 56 HG SER 56 12.924 2.163 2.906 No H/Q in entry = 5 In of MODEL 23 1 H PHE 57 H PHE 57 13.373 6.167 4.720 2 HA PHE 57 HA PHE 57 13.497 5.691 7.581 3 HB2 PHE 57 HB2 PHE 57 12.461 8.032 7.645 4 HB3 PHE 57 HB3 PHE 57 14.125 7.920 7.094 5 HD1 PHE 57 HD1 PHE 57 10.898 9.188 6.380 6 HD2 PHE 57 HD2 PHE 57 14.475 7.829 4.515 7 HE1 PHE 57 HE1 PHE 57 10.282 10.388 4.322 8 HE2 PHE 57 HE2 PHE 57 13.862 9.028 2.458 9 HZ PHE 57 HZ PHE 57 11.766 10.303 2.358 No H/Q in entry = 9 In of MODEL 23 1 H TYR 58 H TYR 58 11.038 6.878 5.262 2 HA TYR 58 HA TYR 58 9.032 5.147 6.506 3 HB2 TYR 58 HB2 TYR 58 9.297 7.497 7.553 4 HB3 TYR 58 HB3 TYR 58 8.604 8.108 6.064 5 HD1 TYR 58 HD1 TYR 58 7.919 5.916 8.991 6 HD2 TYR 58 HD2 TYR 58 6.225 8.142 5.773 7 HE1 TYR 58 HE1 TYR 58 5.677 5.641 9.989 8 HE2 TYR 58 HE2 TYR 58 3.973 7.862 6.764 9 HH TYR 58 HH TYR 58 3.531 6.727 9.963 No H/Q in entry = 9 In of MODEL 23 1 H LEU 59 H LEU 59 8.239 4.024 4.817 2 HA LEU 59 HA LEU 59 8.005 5.300 2.173 3 HB2 LEU 59 HB2 LEU 59 8.394 2.538 3.180 4 HB3 LEU 59 HB3 LEU 59 7.440 2.712 1.725 5 HG LEU 59 HG LEU 59 10.182 3.933 1.911 6 HD11 LEU 59 HD11 LEU 59 9.495 1.115 1.075 7 HD12 LEU 59 HD12 LEU 59 11.070 1.890 0.898 8 HD13 LEU 59 HD13 LEU 59 10.417 1.571 2.507 9 HD21 LEU 59 HD21 LEU 59 8.378 3.003 -0.320 10 HD22 LEU 59 HD22 LEU 59 8.865 4.659 0.044 11 HD23 LEU 59 HD23 LEU 59 10.052 3.503 -0.552 No H/Q in entry = 11 In of MODEL 23 1 H LEU 60 H LEU 60 6.050 5.968 1.541 2 HA LEU 60 HA LEU 60 3.735 4.271 2.035 3 HB2 LEU 60 HB2 LEU 60 3.637 5.921 3.781 4 HB3 LEU 60 HB3 LEU 60 3.968 7.210 2.643 5 HG LEU 60 HG LEU 60 1.771 6.825 1.586 6 HD11 LEU 60 HD11 LEU 60 1.540 4.455 2.155 7 HD12 LEU 60 HD12 LEU 60 1.340 4.889 3.852 8 HD13 LEU 60 HD13 LEU 60 0.138 5.395 2.668 9 HD21 LEU 60 HD21 LEU 60 2.014 8.507 3.330 10 HD22 LEU 60 HD22 LEU 60 0.425 7.743 3.403 11 HD23 LEU 60 HD23 LEU 60 1.676 7.290 4.561 No H/Q in entry = 11 In of MODEL 23 1 H TYR 61 H TYR 61 2.217 4.336 0.400 2 HA TYR 61 HA TYR 61 2.730 6.075 -1.943 3 HB2 TYR 61 HB2 TYR 61 1.879 3.142 -1.836 4 HB3 TYR 61 HB3 TYR 61 1.717 4.131 -3.294 5 HD1 TYR 61 HD1 TYR 61 3.338 3.719 -4.868 6 HD2 TYR 61 HD2 TYR 61 4.441 3.486 -0.769 7 HE1 TYR 61 HE1 TYR 61 5.636 3.156 -5.535 8 HE2 TYR 61 HE2 TYR 61 6.755 2.927 -1.427 9 HH TYR 61 HH TYR 61 7.933 1.965 -3.345 No H/Q in entry = 9 In of MODEL 23 1 H TYR 62 H TYR 62 0.574 6.414 -3.235 2 HA TYR 62 HA TYR 62 -1.725 6.170 -1.453 3 HB2 TYR 62 HB2 TYR 62 -2.342 8.587 -1.860 4 HB3 TYR 62 HB3 TYR 62 -1.007 8.291 -0.761 5 HD1 TYR 62 HD1 TYR 62 -1.885 9.495 -4.156 6 HD2 TYR 62 HD2 TYR 62 1.180 9.145 -1.224 7 HE1 TYR 62 HE1 TYR 62 -0.502 11.087 -5.418 8 HE2 TYR 62 HE2 TYR 62 2.573 10.734 -2.481 9 HH TYR 62 HH TYR 62 2.794 11.524 -4.839 No H/Q in entry = 9 In of MODEL 23 1 H THR 63 H THR 63 -3.657 5.891 -2.403 2 HA THR 63 HA THR 63 -4.030 6.570 -5.223 3 HB THR 63 HB THR 63 -3.350 4.065 -4.970 4 HG1 THR 63 HG1 THR 63 -5.842 4.675 -6.220 5 HG21 THR 63 HG21 THR 63 -6.208 3.953 -4.022 6 HG22 THR 63 HG22 THR 63 -5.236 2.562 -4.497 7 HG23 THR 63 HG23 THR 63 -4.789 3.508 -3.078 No H/Q in entry = 7 In of MODEL 23 1 H GLU 64 H GLU 64 -6.154 7.051 -5.733 2 HA GLU 64 HA GLU 64 -7.996 7.791 -3.759 3 HB2 GLU 64 HB2 GLU 64 -7.765 8.361 -6.343 4 HB3 GLU 64 HB3 GLU 64 -8.872 7.005 -6.519 5 HG2 GLU 64 HG2 GLU 64 -10.223 8.932 -6.491 6 HG3 GLU 64 HG3 GLU 64 -10.421 8.160 -4.919 No H/Q in entry = 6 In of MODEL 23 1 H PHE 65 H PHE 65 -9.523 6.584 -2.613 2 HA PHE 65 HA PHE 65 -10.359 4.040 -3.833 3 HB2 PHE 65 HB2 PHE 65 -10.338 2.908 -1.755 4 HB3 PHE 65 HB3 PHE 65 -8.822 3.770 -1.869 5 HD1 PHE 65 HD1 PHE 65 -8.052 4.401 0.148 6 HD2 PHE 65 HD2 PHE 65 -12.222 4.714 -0.592 7 HE1 PHE 65 HE1 PHE 65 -8.383 5.318 2.416 8 HE2 PHE 65 HE2 PHE 65 -12.552 5.651 1.661 9 HZ PHE 65 HZ PHE 65 -10.647 5.946 3.174 No H/Q in entry = 9 In of MODEL 23 1 H THR 66 H THR 66 -12.516 3.389 -3.480 2 HA THR 66 HA THR 66 -14.113 5.050 -1.654 3 HB THR 66 HB THR 66 -15.061 4.036 -4.362 4 HG1 THR 66 HG1 THR 66 -13.664 6.222 -3.671 5 HG21 THR 66 HG21 THR 66 -16.415 5.765 -2.266 6 HG22 THR 66 HG22 THR 66 -17.029 5.478 -3.899 7 HG23 THR 66 HG23 THR 66 -16.886 4.137 -2.765 No H/Q in entry = 7 In of MODEL 23 1 HA PRO 67 HA PRO 67 -14.683 0.791 -0.286 2 HB2 PRO 67 HB2 PRO 67 -15.989 1.500 2.082 3 HB3 PRO 67 HB3 PRO 67 -14.270 1.154 1.895 4 HG2 PRO 67 HG2 PRO 67 -15.507 3.687 2.429 5 HG3 PRO 67 HG3 PRO 67 -13.785 3.309 2.292 6 HD2 PRO 67 HD2 PRO 67 -15.511 4.658 0.416 7 HD3 PRO 67 HD3 PRO 67 -13.751 4.454 0.354 No H/Q in entry = 7 In of MODEL 23 1 H THR 68 H THR 68 -16.168 -0.564 -0.521 2 HA THR 68 HA THR 68 -19.001 0.201 -0.517 3 HB THR 68 HB THR 68 -19.366 -1.259 -2.459 4 HG1 THR 68 HG1 THR 68 -17.032 -1.795 -3.428 5 HG21 THR 68 HG21 THR 68 -18.791 1.080 -2.925 6 HG22 THR 68 HG22 THR 68 -17.082 0.648 -2.968 7 HG23 THR 68 HG23 THR 68 -18.184 0.004 -4.185 No H/Q in entry = 7 In of MODEL 23 1 H GLU 69 H GLU 69 -20.394 -1.717 -0.070 2 HA GLU 69 HA GLU 69 -19.445 -3.358 1.981 3 HB2 GLU 69 HB2 GLU 69 -21.765 -2.916 1.837 4 HB3 GLU 69 HB3 GLU 69 -21.887 -3.496 0.186 5 HG2 GLU 69 HG2 GLU 69 -22.888 -5.106 1.576 6 HG3 GLU 69 HG3 GLU 69 -21.335 -5.767 1.042 No H/Q in entry = 6 In of MODEL 23 1 H LYS 70 H LYS 70 -18.638 -3.602 -1.267 2 HA LYS 70 HA LYS 70 -18.216 -6.491 -1.055 3 HB2 LYS 70 HB2 LYS 70 -18.639 -4.832 -3.534 4 HB3 LYS 70 HB3 LYS 70 -18.193 -6.525 -3.556 5 HG2 LYS 70 HG2 LYS 70 -20.716 -5.591 -2.202 6 HG3 LYS 70 HG3 LYS 70 -20.644 -5.902 -3.935 7 HD2 LYS 70 HD2 LYS 70 -21.332 -7.952 -3.235 8 HD3 LYS 70 HD3 LYS 70 -19.592 -8.205 -3.122 9 HE2 LYS 70 HE2 LYS 70 -19.884 -7.386 -0.677 10 HE3 LYS 70 HE3 LYS 70 -21.590 -7.708 -0.943 11 HZ1 LYS 70 HZ1 LYS 70 -20.951 -10.004 -1.570 12 HZ2 LYS 70 HZ2 LYS 70 -19.359 -9.653 -1.100 13 HZ3 LYS 70 HZ3 LYS 70 -20.610 -9.613 0.042 No H/Q in entry = 13 In of MODEL 23 1 H ASP 71 H ASP 71 -16.377 -3.519 -1.725 2 HA ASP 71 HA ASP 71 -14.339 -5.150 -3.013 3 HB2 ASP 71 HB2 ASP 71 -14.445 -2.133 -2.770 4 HB3 ASP 71 HB3 ASP 71 -13.322 -3.068 -3.738 No H/Q in entry = 4 In of MODEL 23 1 H GLU 72 H GLU 72 -12.464 -5.621 -2.154 2 HA GLU 72 HA GLU 72 -11.742 -4.776 0.569 3 HB2 GLU 72 HB2 GLU 72 -11.898 -7.194 0.034 4 HB3 GLU 72 HB3 GLU 72 -10.693 -6.990 -1.222 5 HG2 GLU 72 HG2 GLU 72 -9.070 -6.282 0.572 6 HG3 GLU 72 HG3 GLU 72 -10.297 -6.757 1.749 No H/Q in entry = 6 In of MODEL 23 1 H TYR 73 H TYR 73 -9.596 -3.993 0.983 2 HA TYR 73 HA TYR 73 -7.986 -3.300 -1.388 3 HB2 TYR 73 HB2 TYR 73 -8.499 -1.606 1.074 4 HB3 TYR 73 HB3 TYR 73 -7.267 -1.239 -0.123 5 HD1 TYR 73 HD1 TYR 73 -10.923 -1.685 0.331 6 HD2 TYR 73 HD2 TYR 73 -7.828 -0.046 -2.083 7 HE1 TYR 73 HE1 TYR 73 -12.607 -0.448 -0.991 8 HE2 TYR 73 HE2 TYR 73 -9.502 1.186 -3.396 9 HH TYR 73 HH TYR 73 -12.840 1.349 -2.466 No H/Q in entry = 9 In of MODEL 23 1 H ALA 74 H ALA 74 -5.856 -3.781 -1.351 2 HA ALA 74 HA ALA 74 -4.636 -4.764 1.146 3 HB1 ALA 74 HB1 ALA 74 -5.459 -6.708 -0.014 4 HB2 ALA 74 HB2 ALA 74 -4.693 -6.180 -1.516 5 HB3 ALA 74 HB3 ALA 74 -3.703 -6.659 -0.130 No H/Q in entry = 5 In of MODEL 23 1 H CYS 75 H CYS 75 -2.209 -4.763 1.092 2 HA CYS 75 HA CYS 75 -1.180 -3.368 -1.269 3 HB2 CYS 75 HB2 CYS 75 0.368 -2.050 0.026 4 HB3 CYS 75 HB3 CYS 75 -1.205 -1.816 0.712 No H/Q in entry = 4 In of MODEL 23 1 H ARG 76 H ARG 76 0.389 -4.328 -2.317 2 HA ARG 76 HA ARG 76 1.462 -6.856 -1.274 3 HB2 ARG 76 HB2 ARG 76 0.215 -6.546 -3.529 4 HB3 ARG 76 HB3 ARG 76 1.723 -5.815 -4.080 5 HG2 ARG 76 HG2 ARG 76 2.881 -7.917 -3.739 6 HG3 ARG 76 HG3 ARG 76 1.457 -8.633 -2.987 7 HD2 ARG 76 HD2 ARG 76 1.649 -9.400 -5.328 8 HD3 ARG 76 HD3 ARG 76 0.221 -8.370 -5.131 9 HE ARG 76 HE ARG 76 1.407 -6.589 -6.209 10 HH11 ARG 76 HH11 ARG 76 2.953 -9.716 -6.448 11 HH12 ARG 76 HH12 ARG 76 4.139 -9.188 -7.606 12 HH21 ARG 76 HH21 ARG 76 2.972 -5.879 -7.720 13 HH22 ARG 76 HH22 ARG 76 4.152 -7.003 -8.320 No H/Q in entry = 13 In of MODEL 23 1 H VAL 77 H VAL 77 3.636 -7.035 -0.784 2 HA VAL 77 HA VAL 77 5.456 -5.125 -2.099 3 HB VAL 77 HB VAL 77 4.880 -4.484 0.355 4 HG11 VAL 77 HG11 VAL 77 5.261 -6.711 1.314 5 HG12 VAL 77 HG12 VAL 77 6.960 -6.610 0.849 6 HG13 VAL 77 HG13 VAL 77 6.301 -5.484 2.037 7 HG21 VAL 77 HG21 VAL 77 6.591 -3.459 -1.083 8 HG22 VAL 77 HG22 VAL 77 7.070 -3.522 0.613 9 HG23 VAL 77 HG23 VAL 77 7.746 -4.673 -0.535 No H/Q in entry = 9 In of MODEL 23 1 H ASN 78 H ASN 78 7.316 -5.818 -2.751 2 HA ASN 78 HA ASN 78 8.334 -8.425 -1.831 3 HB2 ASN 78 HB2 ASN 78 7.100 -8.697 -4.009 4 HB3 ASN 78 HB3 ASN 78 8.290 -7.627 -4.750 5 HD21 ASN 78 HD21 ASN 78 9.047 -9.209 -6.145 6 HD22 ASN 78 HD22 ASN 78 10.003 -10.550 -5.601 No H/Q in entry = 6 In of MODEL 23 1 H HIS 79 H HIS 79 10.463 -8.636 -1.705 2 HA HIS 79 HA HIS 79 12.174 -6.495 -2.755 3 HB2 HIS 79 HB2 HIS 79 11.865 -6.254 -0.265 4 HB3 HIS 79 HB3 HIS 79 12.544 -7.858 -0.066 5 HD2 HIS 79 HD2 HIS 79 13.685 -4.219 -0.738 6 HE1 HIS 79 HE1 HIS 79 17.107 -6.676 -0.351 7 HE2 HIS 79 HE2 HIS 79 16.283 -4.321 -0.768 No H/Q in entry = 7 In of MODEL 23 1 H VAL 80 H VAL 80 14.463 -7.288 -2.983 2 HA VAL 80 HA VAL 80 14.729 -9.565 -4.487 3 HB VAL 80 HB VAL 80 16.853 -8.408 -2.669 4 HG11 VAL 80 HG11 VAL 80 17.460 -10.638 -3.450 5 HG12 VAL 80 HG12 VAL 80 17.129 -10.161 -5.116 6 HG13 VAL 80 HG13 VAL 80 18.460 -9.413 -4.232 7 HG21 VAL 80 HG21 VAL 80 16.162 -7.787 -5.541 8 HG22 VAL 80 HG22 VAL 80 15.956 -6.718 -4.153 9 HG23 VAL 80 HG23 VAL 80 17.574 -7.176 -4.680 No H/Q in entry = 9 In of MODEL 23 1 H THR 81 H THR 81 14.820 -9.306 -0.976 2 HA THR 81 HA THR 81 15.953 -11.909 -0.544 3 HB THR 81 HB THR 81 16.312 -10.366 1.217 4 HG1 THR 81 HG1 THR 81 15.594 -11.549 2.947 5 HG21 THR 81 HG21 THR 81 13.307 -10.035 1.412 6 HG22 THR 81 HG22 THR 81 14.488 -9.321 2.511 7 HG23 THR 81 HG23 THR 81 14.450 -8.832 0.817 No H/Q in entry = 7 In of MODEL 23 1 H LEU 82 H LEU 82 12.606 -10.716 0.042 2 HA LEU 82 HA LEU 82 11.471 -13.044 0.890 3 HB2 LEU 82 HB2 LEU 82 10.107 -11.110 -0.974 4 HB3 LEU 82 HB3 LEU 82 9.334 -12.226 0.140 5 HG LEU 82 HG LEU 82 11.057 -9.903 0.982 6 HD11 LEU 82 HD11 LEU 82 8.075 -10.224 0.822 7 HD12 LEU 82 HD12 LEU 82 8.894 -8.930 1.698 8 HD13 LEU 82 HD13 LEU 82 9.089 -9.072 -0.048 9 HD21 LEU 82 HD21 LEU 82 9.311 -11.795 2.553 10 HD22 LEU 82 HD22 LEU 82 11.071 -11.702 2.610 11 HD23 LEU 82 HD23 LEU 82 10.098 -10.359 3.205 No H/Q in entry = 11 In of MODEL 23 1 H SER 83 H SER 83 11.599 -11.991 -2.499 2 HA SER 83 HA SER 83 11.561 -13.123 -4.463 3 HB2 SER 83 HB2 SER 83 13.039 -14.808 -3.326 4 HB3 SER 83 HB3 SER 83 11.590 -15.699 -2.867 5 HG SER 83 HG SER 83 12.274 -15.056 -5.553 No H/Q in entry = 5 In of MODEL 23 1 H GLN 84 H GLN 84 9.366 -13.925 -1.916 2 HA GLN 84 HA GLN 84 7.232 -14.072 -3.910 3 HB2 GLN 84 HB2 GLN 84 5.942 -15.547 -2.350 4 HB3 GLN 84 HB3 GLN 84 7.347 -16.300 -3.082 5 HG2 GLN 84 HG2 GLN 84 8.581 -16.104 -0.993 6 HG3 GLN 84 HG3 GLN 84 7.249 -15.199 -0.265 7 HE21 GLN 84 HE21 GLN 84 7.096 -16.738 1.385 8 HE22 GLN 84 HE22 GLN 84 6.353 -18.284 1.108 No H/Q in entry = 8 In of MODEL 23 1 HA PRO 85 HA PRO 85 6.293 -10.383 -1.454 2 HB2 PRO 85 HB2 PRO 85 4.174 -9.525 -2.941 3 HB3 PRO 85 HB3 PRO 85 5.876 -9.183 -3.315 4 HG2 PRO 85 HG2 PRO 85 4.020 -11.190 -4.525 5 HG3 PRO 85 HG3 PRO 85 5.313 -10.235 -5.291 6 HD2 PRO 85 HD2 PRO 85 5.607 -12.912 -4.617 7 HD3 PRO 85 HD3 PRO 85 6.973 -11.749 -4.709 No H/Q in entry = 7 In of MODEL 23 1 H LYS 86 H LYS 86 4.589 -9.587 -0.177 2 HA LYS 86 HA LYS 86 2.573 -11.637 0.477 3 HB2 LYS 86 HB2 LYS 86 3.513 -9.372 2.256 4 HB3 LYS 86 HB3 LYS 86 2.501 -10.732 2.713 5 HG2 LYS 86 HG2 LYS 86 4.371 -12.240 2.658 6 HG3 LYS 86 HG3 LYS 86 5.373 -11.035 1.842 7 HD2 LYS 86 HD2 LYS 86 5.778 -9.866 3.778 8 HD3 LYS 86 HD3 LYS 86 4.257 -10.341 4.529 9 HE2 LYS 86 HE2 LYS 86 6.700 -12.093 4.177 10 HE3 LYS 86 HE3 LYS 86 6.130 -11.373 5.681 11 HZ1 LYS 86 HZ1 LYS 86 4.003 -12.660 5.246 12 HZ2 LYS 86 HZ2 LYS 86 4.895 -13.545 4.099 13 HZ3 LYS 86 HZ3 LYS 86 5.362 -13.546 5.732 No H/Q in entry = 13 In of MODEL 23 1 H ILE 87 H ILE 87 0.492 -11.021 0.920 2 HA ILE 87 HA ILE 87 -0.236 -8.261 0.172 3 HB ILE 87 HB ILE 87 -1.580 -10.779 -0.520 4 HG12 ILE 87 HG12 ILE 87 -0.953 -9.440 -2.337 5 HG13 ILE 87 HG13 ILE 87 -2.678 -9.082 -2.168 6 HG21 ILE 87 HG21 ILE 87 -3.211 -8.497 0.575 7 HG22 ILE 87 HG22 ILE 87 -3.864 -9.787 -0.442 8 HG23 ILE 87 HG23 ILE 87 -3.188 -10.168 1.145 9 HD11 ILE 87 HD11 ILE 87 -2.155 -7.063 -0.956 10 HD12 ILE 87 HD12 ILE 87 -0.433 -7.395 -1.132 11 HD13 ILE 87 HD13 ILE 87 -1.420 -7.077 -2.554 No H/Q in entry = 11 In of MODEL 23 1 H VAL 88 H VAL 88 -1.141 -6.986 1.603 2 HA VAL 88 HA VAL 88 -2.113 -8.123 4.146 3 HB VAL 88 HB VAL 88 -0.089 -6.733 4.395 4 HG11 VAL 88 HG11 VAL 88 -0.418 -5.363 2.439 5 HG12 VAL 88 HG12 VAL 88 -1.694 -4.500 3.304 6 HG13 VAL 88 HG13 VAL 88 -0.034 -4.443 3.895 7 HG21 VAL 88 HG21 VAL 88 -2.645 -5.628 5.492 8 HG22 VAL 88 HG22 VAL 88 -1.467 -6.655 6.310 9 HG23 VAL 88 HG23 VAL 88 -1.072 -4.967 5.951 No H/Q in entry = 9 In of MODEL 23 1 H LYS 89 H LYS 89 -4.288 -7.786 4.446 2 HA LYS 89 HA LYS 89 -5.483 -5.803 2.640 3 HB2 LYS 89 HB2 LYS 89 -6.912 -8.141 3.883 4 HB3 LYS 89 HB3 LYS 89 -7.484 -7.085 2.603 5 HG2 LYS 89 HG2 LYS 89 -6.100 -8.053 1.036 6 HG3 LYS 89 HG3 LYS 89 -5.006 -8.687 2.268 7 HD2 LYS 89 HD2 LYS 89 -7.802 -9.597 1.703 8 HD3 LYS 89 HD3 LYS 89 -6.327 -10.512 1.392 9 HE2 LYS 89 HE2 LYS 89 -5.914 -10.500 3.851 10 HE3 LYS 89 HE3 LYS 89 -7.460 -9.691 4.058 11 HZ1 LYS 89 HZ1 LYS 89 -7.129 -12.350 2.789 12 HZ2 LYS 89 HZ2 LYS 89 -7.599 -12.106 4.397 13 HZ3 LYS 89 HZ3 LYS 89 -8.591 -11.569 3.131 No H/Q in entry = 13 In of MODEL 23 1 H TRP 90 H TRP 90 -7.005 -4.407 3.362 2 HA TRP 90 HA TRP 90 -6.516 -3.552 6.051 3 HB2 TRP 90 HB2 TRP 90 -6.658 -1.906 4.235 4 HB3 TRP 90 HB3 TRP 90 -8.314 -2.398 3.915 5 HD1 TRP 90 HD1 TRP 90 -6.690 -1.327 7.315 6 HE1 TRP 90 HE1 TRP 90 -8.080 0.553 8.287 7 HE3 TRP 90 HE3 TRP 90 -10.058 -0.746 3.459 8 HZ2 TRP 90 HZ2 TRP 90 -10.354 2.052 7.590 9 HZ3 TRP 90 HZ3 TRP 90 -11.802 0.956 3.700 10 HH2 TRP 90 HH2 TRP 90 -11.955 2.343 5.699 No H/Q in entry = 10 In of MODEL 23 1 H ASP 91 H ASP 91 -7.709 -3.761 7.779 2 HA ASP 91 HA ASP 91 -9.728 -5.729 7.929 3 HB2 ASP 91 HB2 ASP 91 -9.072 -3.617 9.990 4 HB3 ASP 91 HB3 ASP 91 -9.816 -5.190 10.271 No H/Q in entry = 4 In of MODEL 23 1 H ARG 92 H ARG 92 -11.504 -5.235 6.701 2 HA ARG 92 HA ARG 92 -13.489 -3.631 7.898 3 HB2 ARG 92 HB2 ARG 92 -13.632 -1.732 6.543 4 HB3 ARG 92 HB3 ARG 92 -11.889 -1.955 6.654 5 HG2 ARG 92 HG2 ARG 92 -12.080 -1.580 4.420 6 HG3 ARG 92 HG3 ARG 92 -12.241 -3.354 4.437 7 HD2 ARG 92 HD2 ARG 92 -13.983 -1.921 3.052 8 HD3 ARG 92 HD3 ARG 92 -14.569 -3.234 4.094 9 HE ARG 92 HE ARG 92 -14.603 -0.989 5.677 10 HH11 ARG 92 HH11 ARG 92 -16.091 -1.940 2.646 11 HH12 ARG 92 HH12 ARG 92 -17.468 -0.915 2.867 12 HH21 ARG 92 HH21 ARG 92 -16.405 0.342 5.965 13 HH22 ARG 92 HH22 ARG 92 -17.644 0.404 4.744 No H/Q in entry = 13 In of MODEL 23 1 H ASP 93 H ASP 93 -12.404 -5.926 5.766 2 HA ASP 93 HA ASP 93 -14.972 -6.791 4.922 3 HB2 ASP 93 HB2 ASP 93 -14.435 -4.709 3.491 4 HB3 ASP 93 HB3 ASP 93 -13.272 -5.753 2.672 No H/Q in entry = 4 In of MODEL 23 1 HA MET 94 HA MET 94 -10.936 -9.031 3.362 2 HB2 MET 94 HB2 MET 94 -9.345 -9.940 5.311 3 HB3 MET 94 HB3 MET 94 -9.070 -8.417 4.475 4 HG2 MET 94 HG2 MET 94 -8.847 -8.402 7.021 5 HG3 MET 94 HG3 MET 94 -9.821 -7.114 6.305 6 HE1 MET 94 HE1 MET 94 -10.535 -6.816 8.975 7 HE2 MET 94 HE2 MET 94 -11.369 -8.080 9.880 8 HE3 MET 94 HE3 MET 94 -9.677 -8.289 9.429 No H/Q in entry = 8 In of MODEL 24 1 HA MET 1 HA MET 1 4.399 -8.562 6.657 2 HB2 MET 1 HB2 MET 1 4.290 -9.584 8.887 3 HB3 MET 1 HB3 MET 1 4.409 -7.994 9.627 4 HG2 MET 1 HG2 MET 1 2.120 -8.846 9.630 5 HG3 MET 1 HG3 MET 1 2.270 -7.359 8.697 6 HE1 MET 1 HE1 MET 1 1.920 -11.263 8.533 7 HE2 MET 1 HE2 MET 1 1.916 -11.549 6.793 8 HE3 MET 1 HE3 MET 1 3.383 -10.972 7.589 No H/Q in entry = 8 In of MODEL 24 1 H ILE 2 H ILE 2 3.124 -7.010 5.867 2 HA ILE 2 HA ILE 2 3.857 -4.219 6.333 3 HB ILE 2 HB ILE 2 1.669 -5.169 4.473 4 HG12 ILE 2 HG12 ILE 2 4.466 -4.905 3.427 5 HG13 ILE 2 HG13 ILE 2 3.969 -6.412 4.197 6 HG21 ILE 2 HG21 ILE 2 2.136 -2.700 4.924 7 HG22 ILE 2 HG22 ILE 2 3.618 -2.933 3.988 8 HG23 ILE 2 HG23 ILE 2 2.053 -3.215 3.238 9 HD11 ILE 2 HD11 ILE 2 2.117 -6.600 2.591 10 HD12 ILE 2 HD12 ILE 2 2.675 -5.124 1.804 11 HD13 ILE 2 HD13 ILE 2 3.697 -6.563 1.803 No H/Q in entry = 11 In of MODEL 24 1 H GLN 3 H GLN 3 2.208 -2.641 6.912 2 HA GLN 3 HA GLN 3 -0.284 -3.792 7.962 3 HB2 GLN 3 HB2 GLN 3 1.442 -1.683 9.275 4 HB3 GLN 3 HB3 GLN 3 -0.168 -2.159 9.835 5 HG2 GLN 3 HG2 GLN 3 0.648 -4.430 10.289 6 HG3 GLN 3 HG3 GLN 3 2.268 -3.950 9.718 7 HE21 GLN 3 HE21 GLN 3 3.490 -2.532 10.973 8 HE22 GLN 3 HE22 GLN 3 3.136 -2.233 12.638 No H/Q in entry = 8 In of MODEL 24 1 H VAL 4 H VAL 4 -1.857 -2.987 6.728 2 HA VAL 4 HA VAL 4 -1.547 -0.331 5.577 3 HB VAL 4 HB VAL 4 -3.815 -0.922 4.467 4 HG11 VAL 4 HG11 VAL 4 -1.668 -0.876 3.295 5 HG12 VAL 4 HG12 VAL 4 -1.344 -2.531 3.815 6 HG13 VAL 4 HG13 VAL 4 -2.685 -2.195 2.719 7 HG21 VAL 4 HG21 VAL 4 -2.968 -3.654 5.426 8 HG22 VAL 4 HG22 VAL 4 -4.402 -2.770 5.939 9 HG23 VAL 4 HG23 VAL 4 -4.256 -3.322 4.270 No H/Q in entry = 9 In of MODEL 24 1 H TYR 5 H TYR 5 -3.102 1.258 5.703 2 HA TYR 5 HA TYR 5 -5.107 1.233 7.789 3 HB2 TYR 5 HB2 TYR 5 -2.589 2.896 7.964 4 HB3 TYR 5 HB3 TYR 5 -4.080 3.404 8.746 5 HD1 TYR 5 HD1 TYR 5 -1.062 2.209 9.553 6 HD2 TYR 5 HD2 TYR 5 -5.126 1.008 9.984 7 HE1 TYR 5 HE1 TYR 5 -0.448 0.862 11.522 8 HE2 TYR 5 HE2 TYR 5 -4.517 -0.348 11.957 9 HH TYR 5 HH TYR 5 -1.572 -0.030 13.556 No H/Q in entry = 9 In of MODEL 24 1 H SER 6 H SER 6 -6.036 3.595 7.877 2 HA SER 6 HA SER 6 -5.687 4.911 5.256 3 HB2 SER 6 HB2 SER 6 -8.272 4.684 6.828 4 HB3 SER 6 HB3 SER 6 -8.056 5.547 5.299 5 HG SER 6 HG SER 6 -7.212 2.923 5.262 No H/Q in entry = 5 In of MODEL 24 1 H ARG 7 H ARG 7 -6.103 7.189 5.226 2 HA ARG 7 HA ARG 7 -5.082 8.503 7.596 3 HB2 ARG 7 HB2 ARG 7 -4.905 8.977 4.845 4 HB3 ARG 7 HB3 ARG 7 -5.916 10.284 5.450 5 HG2 ARG 7 HG2 ARG 7 -3.187 9.553 6.506 6 HG3 ARG 7 HG3 ARG 7 -3.531 10.868 5.383 7 HD2 ARG 7 HD2 ARG 7 -4.855 10.669 8.065 8 HD3 ARG 7 HD3 ARG 7 -3.291 11.455 7.853 9 HE ARG 7 HE ARG 7 -4.975 12.594 5.986 10 HH11 ARG 7 HH11 ARG 7 -4.880 12.276 9.467 11 HH12 ARG 7 HH12 ARG 7 -5.686 13.787 9.759 12 HH21 ARG 7 HH21 ARG 7 -6.022 14.581 6.350 13 HH22 ARG 7 HH22 ARG 7 -6.345 15.106 7.980 No H/Q in entry = 13 In of MODEL 24 1 H HIS 8 H HIS 8 -8.120 7.870 6.230 2 HA HIS 8 HA HIS 8 -9.411 9.868 7.955 3 HB2 HIS 8 HB2 HIS 8 -10.396 9.117 5.195 4 HB3 HIS 8 HB3 HIS 8 -11.000 10.403 6.232 5 HD2 HIS 8 HD2 HIS 8 -8.840 12.435 6.679 6 HE1 HIS 8 HE1 HIS 8 -7.490 11.787 2.719 7 HE2 HIS 8 HE2 HIS 8 -7.236 13.223 4.791 No H/Q in entry = 7 In of MODEL 24 1 HA PRO 9 HA PRO 9 -12.017 6.523 9.250 2 HB2 PRO 9 HB2 PRO 9 -14.476 8.045 9.080 3 HB3 PRO 9 HB3 PRO 9 -13.586 7.535 10.525 4 HG2 PRO 9 HG2 PRO 9 -13.798 10.146 9.625 5 HG3 PRO 9 HG3 PRO 9 -12.515 9.545 10.687 6 HD2 PRO 9 HD2 PRO 9 -12.431 10.192 7.780 7 HD3 PRO 9 HD3 PRO 9 -11.142 10.248 8.999 No H/Q in entry = 7 In of MODEL 24 1 H ALA 10 H ALA 10 -12.812 4.842 8.195 2 HA ALA 10 HA ALA 10 -13.345 4.774 5.476 3 HB1 ALA 10 HB1 ALA 10 -14.148 2.517 5.846 4 HB2 ALA 10 HB2 ALA 10 -12.728 2.819 6.845 5 HB3 ALA 10 HB3 ALA 10 -14.333 2.839 7.568 No H/Q in entry = 5 In of MODEL 24 1 H GLU 11 H GLU 11 -14.992 6.085 4.605 2 HA GLU 11 HA GLU 11 -17.678 5.353 5.581 3 HB2 GLU 11 HB2 GLU 11 -16.558 7.920 4.728 4 HB3 GLU 11 HB3 GLU 11 -18.106 7.544 3.989 5 HG2 GLU 11 HG2 GLU 11 -17.517 7.633 6.929 6 HG3 GLU 11 HG3 GLU 11 -18.388 8.842 5.992 No H/Q in entry = 6 In of MODEL 24 1 H ASN 12 H ASN 12 -18.805 4.058 4.272 2 HA ASN 12 HA ASN 12 -18.003 3.289 1.700 3 HB2 ASN 12 HB2 ASN 12 -19.451 1.794 2.829 4 HB3 ASN 12 HB3 ASN 12 -20.626 3.045 3.223 5 HD21 ASN 12 HD21 ASN 12 -22.103 3.683 1.646 6 HD22 ASN 12 HD22 ASN 12 -22.382 2.762 0.202 No H/Q in entry = 6 In of MODEL 24 1 H GLY 13 H GLY 13 -17.834 4.584 0.013 2 HA2 GLY 13 HA2 GLY 13 -20.035 6.509 -0.517 3 HA3 GLY 13 HA3 GLY 13 -19.175 5.632 -1.767 No H/Q in entry = 3 In of MODEL 24 1 H LYS 14 H LYS 14 -17.104 6.748 0.726 2 HA LYS 14 HA LYS 14 -16.668 9.310 -0.668 3 HB2 LYS 14 HB2 LYS 14 -15.174 8.402 1.781 4 HB3 LYS 14 HB3 LYS 14 -15.434 10.037 1.215 5 HG2 LYS 14 HG2 LYS 14 -17.448 8.216 2.497 6 HG3 LYS 14 HG3 LYS 14 -16.703 9.646 3.195 7 HD2 LYS 14 HD2 LYS 14 -18.584 9.590 0.842 8 HD3 LYS 14 HD3 LYS 14 -18.987 10.082 2.498 9 HE2 LYS 14 HE2 LYS 14 -17.011 11.440 0.647 10 HE3 LYS 14 HE3 LYS 14 -18.623 12.019 1.053 11 HZ1 LYS 14 HZ1 LYS 14 -17.914 12.185 3.376 12 HZ2 LYS 14 HZ2 LYS 14 -16.349 11.712 2.938 13 HZ3 LYS 14 HZ3 LYS 14 -16.986 13.170 2.355 No H/Q in entry = 13 In of MODEL 24 1 H SER 15 H SER 15 -14.701 9.957 -1.456 2 HA SER 15 HA SER 15 -12.741 7.839 -1.849 3 HB2 SER 15 HB2 SER 15 -11.716 9.743 -3.365 4 HB3 SER 15 HB3 SER 15 -13.053 8.739 -3.934 5 HG SER 15 HG SER 15 -13.001 11.346 -3.750 No H/Q in entry = 5 In of MODEL 24 1 H ASN 16 H ASN 16 -10.688 7.993 -1.181 2 HA ASN 16 HA ASN 16 -9.742 10.180 0.456 3 HB2 ASN 16 HB2 ASN 16 -10.062 7.437 1.703 4 HB3 ASN 16 HB3 ASN 16 -9.419 8.875 2.475 5 HD21 ASN 16 HD21 ASN 16 -10.763 10.175 3.544 6 HD22 ASN 16 HD22 ASN 16 -12.481 9.947 3.642 No H/Q in entry = 6 In of MODEL 24 1 H PHE 17 H PHE 17 -7.790 8.209 1.731 2 HA PHE 17 HA PHE 17 -6.386 7.348 -0.695 3 HB2 PHE 17 HB2 PHE 17 -5.356 9.132 1.498 4 HB3 PHE 17 HB3 PHE 17 -4.253 8.152 0.539 5 HD1 PHE 17 HD1 PHE 17 -4.913 11.330 0.808 6 HD2 PHE 17 HD2 PHE 17 -5.531 8.272 -2.073 7 HE1 PHE 17 HE1 PHE 17 -4.930 13.026 -0.977 8 HE2 PHE 17 HE2 PHE 17 -5.547 9.957 -3.875 9 HZ PHE 17 HZ PHE 17 -5.243 12.341 -3.323 No H/Q in entry = 9 In of MODEL 24 1 H LEU 18 H LEU 18 -5.523 5.341 -0.560 2 HA LEU 18 HA LEU 18 -5.731 3.933 1.985 3 HB2 LEU 18 HB2 LEU 18 -6.497 2.640 0.142 4 HB3 LEU 18 HB3 LEU 18 -5.075 3.029 -0.809 5 HG LEU 18 HG LEU 18 -3.687 1.568 0.583 6 HD11 LEU 18 HD11 LEU 18 -6.205 1.045 2.169 7 HD12 LEU 18 HD12 LEU 18 -4.704 0.136 2.308 8 HD13 LEU 18 HD13 LEU 18 -4.740 1.841 2.745 9 HD21 LEU 18 HD21 LEU 18 -6.246 0.252 -0.325 10 HD22 LEU 18 HD22 LEU 18 -4.804 0.540 -1.297 11 HD23 LEU 18 HD23 LEU 18 -4.745 -0.590 0.053 No H/Q in entry = 11 In of MODEL 24 1 H ASN 19 H ASN 19 -4.105 3.728 3.335 2 HA ASN 19 HA ASN 19 -1.463 4.580 2.386 3 HB2 ASN 19 HB2 ASN 19 -2.850 4.951 5.035 4 HB3 ASN 19 HB3 ASN 19 -1.102 5.121 4.880 5 HD21 ASN 19 HD21 ASN 19 -1.439 6.215 2.117 6 HD22 ASN 19 HD22 ASN 19 -1.962 7.851 2.347 No H/Q in entry = 6 In of MODEL 24 1 H CYS 20 H CYS 20 -0.122 2.977 2.102 2 HA CYS 20 HA CYS 20 -0.226 0.606 3.868 3 HB2 CYS 20 HB2 CYS 20 -0.469 -0.101 1.611 4 HB3 CYS 20 HB3 CYS 20 0.744 1.044 1.018 No H/Q in entry = 4 In of MODEL 24 1 H TYR 21 H TYR 21 1.323 0.614 5.421 2 HA TYR 21 HA TYR 21 3.719 2.239 5.031 3 HB2 TYR 21 HB2 TYR 21 2.790 0.749 7.493 4 HB3 TYR 21 HB3 TYR 21 4.152 1.842 7.413 5 HD1 TYR 21 HD1 TYR 21 0.588 1.535 7.800 6 HD2 TYR 21 HD2 TYR 21 3.750 4.277 7.086 7 HE1 TYR 21 HE1 TYR 21 -0.911 3.407 8.386 8 HE2 TYR 21 HE2 TYR 21 2.272 6.158 7.675 9 HH TYR 21 HH TYR 21 -0.081 6.689 7.779 No H/Q in entry = 9 In of MODEL 24 1 H VAL 22 H VAL 22 5.305 1.210 3.955 2 HA VAL 22 HA VAL 22 5.857 -1.564 4.630 3 HB VAL 22 HB VAL 22 7.073 0.236 2.498 4 HG11 VAL 22 HG11 VAL 22 8.596 -1.580 3.127 5 HG12 VAL 22 HG12 VAL 22 7.309 -2.758 2.838 6 HG13 VAL 22 HG13 VAL 22 7.952 -1.801 1.502 7 HG21 VAL 22 HG21 VAL 22 4.881 -1.837 2.380 8 HG22 VAL 22 HG22 VAL 22 4.772 -0.118 1.983 9 HG23 VAL 22 HG23 VAL 22 5.708 -1.203 0.953 No H/Q in entry = 9 In of MODEL 24 1 H SER 23 H SER 23 7.603 -2.162 5.708 2 HA SER 23 HA SER 23 8.785 -0.339 7.530 3 HB2 SER 23 HB2 SER 23 8.115 -2.515 8.174 4 HB3 SER 23 HB3 SER 23 9.245 -3.269 7.046 5 HG SER 23 HG SER 23 9.699 -2.732 9.526 No H/Q in entry = 5 In of MODEL 24 1 H GLY 24 H GLY 24 11.538 -1.678 7.621 2 HA2 GLY 24 HA2 GLY 24 13.392 -0.289 7.426 3 HA3 GLY 24 HA3 GLY 24 12.535 0.697 6.250 No H/Q in entry = 3 In of MODEL 24 1 H PHE 25 H PHE 25 11.868 -0.808 4.291 2 HA PHE 25 HA PHE 25 14.175 -2.338 3.334 3 HB2 PHE 25 HB2 PHE 25 11.481 -1.726 2.091 4 HB3 PHE 25 HB3 PHE 25 12.698 -2.783 1.394 5 HD1 PHE 25 HD1 PHE 25 10.423 -2.419 4.325 6 HD2 PHE 25 HD2 PHE 25 12.744 -5.078 1.935 7 HE1 PHE 25 HE1 PHE 25 9.388 -4.344 5.476 8 HE2 PHE 25 HE2 PHE 25 11.714 -7.014 3.090 9 HZ PHE 25 HZ PHE 25 10.018 -6.631 4.832 No H/Q in entry = 9 In of MODEL 24 1 H HIS 26 H HIS 26 15.368 -1.563 1.474 2 HA HIS 26 HA HIS 26 15.536 1.283 1.380 3 HB2 HIS 26 HB2 HIS 26 16.995 0.644 -0.767 4 HB3 HIS 26 HB3 HIS 26 17.597 0.527 0.857 5 HD2 HIS 26 HD2 HIS 26 16.184 -1.934 -1.855 6 HE1 HIS 26 HE1 HIS 26 18.766 -3.977 0.803 7 HE2 HIS 26 HE2 HIS 26 17.648 -4.046 -1.473 No H/Q in entry = 7 In of MODEL 24 1 HA PRO 27 HA PRO 27 12.211 2.143 -1.443 2 HB2 PRO 27 HB2 PRO 27 13.940 4.559 -1.812 3 HB3 PRO 27 HB3 PRO 27 12.198 4.466 -1.520 4 HG2 PRO 27 HG2 PRO 27 13.837 5.136 0.457 5 HG3 PRO 27 HG3 PRO 27 12.466 4.035 0.765 6 HD2 PRO 27 HD2 PRO 27 15.392 3.424 0.469 7 HD3 PRO 27 HD3 PRO 27 14.185 2.690 1.550 No H/Q in entry = 7 In of MODEL 24 1 H SER 28 H SER 28 15.544 1.869 -2.214 2 HA SER 28 HA SER 28 15.212 2.290 -5.024 3 HB2 SER 28 HB2 SER 28 17.362 2.828 -4.201 4 HB3 SER 28 HB3 SER 28 17.515 1.279 -3.356 5 HG SER 28 HG SER 28 17.779 0.245 -5.306 No H/Q in entry = 5 In of MODEL 24 1 H ASP 29 H ASP 29 15.614 -0.673 -2.942 2 HA ASP 29 HA ASP 29 15.163 -2.170 -5.479 3 HB2 ASP 29 HB2 ASP 29 16.519 -3.322 -3.035 4 HB3 ASP 29 HB3 ASP 29 16.446 -4.004 -4.653 No H/Q in entry = 4 In of MODEL 24 1 H ILE 30 H ILE 30 12.831 -1.322 -4.084 2 HA ILE 30 HA ILE 30 11.839 -4.002 -3.416 3 HB ILE 30 HB ILE 30 10.756 -3.440 -1.493 4 HG12 ILE 30 HG12 ILE 30 10.739 -0.497 -2.238 5 HG13 ILE 30 HG13 ILE 30 9.414 -1.626 -2.519 6 HG21 ILE 30 HG21 ILE 30 13.084 -1.549 -1.522 7 HG22 ILE 30 HG22 ILE 30 12.141 -1.920 -0.078 8 HG23 ILE 30 HG23 ILE 30 13.031 -3.199 -0.902 9 HD11 ILE 30 HD11 ILE 30 9.315 -2.009 -0.067 10 HD12 ILE 30 HD12 ILE 30 10.502 -0.717 0.124 11 HD13 ILE 30 HD13 ILE 30 8.922 -0.367 -0.573 No H/Q in entry = 11 In of MODEL 24 1 H GLU 31 H GLU 31 9.429 -4.120 -3.529 2 HA GLU 31 HA GLU 31 8.359 -2.322 -5.565 3 HB2 GLU 31 HB2 GLU 31 9.523 -4.720 -6.005 4 HB3 GLU 31 HB3 GLU 31 7.848 -5.176 -5.903 5 HG2 GLU 31 HG2 GLU 31 7.346 -3.582 -7.739 6 HG3 GLU 31 HG3 GLU 31 9.061 -3.141 -7.788 No H/Q in entry = 6 In of MODEL 24 1 H VAL 32 H VAL 32 6.824 -1.508 -4.263 2 HA VAL 32 HA VAL 32 4.896 -3.346 -3.022 3 HB VAL 32 HB VAL 32 5.516 -2.228 -1.132 4 HG11 VAL 32 HG11 VAL 32 7.370 -1.094 -2.217 5 HG12 VAL 32 HG12 VAL 32 6.274 0.158 -2.805 6 HG13 VAL 32 HG13 VAL 32 6.556 -0.027 -1.073 7 HG21 VAL 32 HG21 VAL 32 3.210 -1.507 -1.462 8 HG22 VAL 32 HG22 VAL 32 4.152 -0.267 -0.634 9 HG23 VAL 32 HG23 VAL 32 3.771 -0.090 -2.348 No H/Q in entry = 9 In of MODEL 24 1 H ASP 33 H ASP 33 2.761 -3.158 -3.553 2 HA ASP 33 HA ASP 33 1.930 -0.859 -5.186 3 HB2 ASP 33 HB2 ASP 33 1.445 -3.788 -5.926 4 HB3 ASP 33 HB3 ASP 33 0.615 -2.425 -6.685 No H/Q in entry = 4 In of MODEL 24 1 H LEU 34 H LEU 34 -0.474 -0.731 -5.330 2 HA LEU 34 HA LEU 34 -1.695 -1.696 -2.829 3 HB2 LEU 34 HB2 LEU 34 -2.003 0.840 -4.358 4 HB3 LEU 34 HB3 LEU 34 -3.416 0.226 -3.527 5 HG LEU 34 HG LEU 34 -2.105 0.226 -1.394 6 HD11 LEU 34 HD11 LEU 34 -0.055 1.692 -3.043 7 HD12 LEU 34 HD12 LEU 34 -0.049 1.551 -1.284 8 HD13 LEU 34 HD13 LEU 34 0.141 0.112 -2.283 9 HD21 LEU 34 HD21 LEU 34 -3.619 2.053 -1.950 10 HD22 LEU 34 HD22 LEU 34 -2.227 2.615 -1.027 11 HD23 LEU 34 HD23 LEU 34 -2.301 2.898 -2.766 No H/Q in entry = 11 In of MODEL 24 1 H LEU 35 H LEU 35 -3.420 -3.031 -2.947 2 HA LEU 35 HA LEU 35 -4.366 -3.729 -5.656 3 HB2 LEU 35 HB2 LEU 35 -3.939 -5.613 -3.341 4 HB3 LEU 35 HB3 LEU 35 -4.448 -6.030 -4.959 5 HG LEU 35 HG LEU 35 -1.727 -5.295 -3.964 6 HD11 LEU 35 HD11 LEU 35 -2.987 -7.509 -5.571 7 HD12 LEU 35 HD12 LEU 35 -1.246 -7.312 -5.433 8 HD13 LEU 35 HD13 LEU 35 -2.215 -7.615 -3.989 9 HD21 LEU 35 HD21 LEU 35 -2.281 -3.866 -5.988 10 HD22 LEU 35 HD22 LEU 35 -0.888 -4.933 -6.148 11 HD23 LEU 35 HD23 LEU 35 -2.423 -5.370 -6.895 No H/Q in entry = 11 In of MODEL 24 1 H LYS 36 H LYS 36 -6.346 -5.006 -5.707 2 HA LYS 36 HA LYS 36 -8.123 -4.781 -3.372 3 HB2 LYS 36 HB2 LYS 36 -9.242 -5.204 -6.118 4 HB3 LYS 36 HB3 LYS 36 -9.976 -4.378 -4.730 5 HG2 LYS 36 HG2 LYS 36 -8.529 -2.465 -5.132 6 HG3 LYS 36 HG3 LYS 36 -7.728 -3.303 -6.454 7 HD2 LYS 36 HD2 LYS 36 -9.373 -1.638 -7.260 8 HD3 LYS 36 HD3 LYS 36 -9.750 -3.281 -7.799 9 HE2 LYS 36 HE2 LYS 36 -11.759 -1.961 -7.063 10 HE3 LYS 36 HE3 LYS 36 -11.535 -3.440 -6.127 11 HZ1 LYS 36 HZ1 LYS 36 -10.457 -2.038 -4.402 12 HZ2 LYS 36 HZ2 LYS 36 -10.866 -0.663 -5.307 13 HZ3 LYS 36 HZ3 LYS 36 -12.081 -1.650 -4.673 No H/Q in entry = 13 In of MODEL 24 1 H ASN 37 H ASN 37 -8.094 -6.861 -2.520 2 HA ASN 37 HA ASN 37 -8.034 -9.168 -2.462 3 HB2 ASN 37 HB2 ASN 37 -9.749 -8.948 -4.915 4 HB3 ASN 37 HB3 ASN 37 -9.903 -10.150 -3.658 5 HD21 ASN 37 HD21 ASN 37 -10.464 -6.907 -4.698 6 HD22 ASN 37 HD22 ASN 37 -11.641 -6.484 -3.518 No H/Q in entry = 6 In of MODEL 24 1 H GLY 38 H GLY 38 -5.786 -8.210 -3.741 2 HA2 GLY 38 HA2 GLY 38 -5.083 -10.412 -5.422 3 HA3 GLY 38 HA3 GLY 38 -4.029 -9.089 -4.974 No H/Q in entry = 3 In of MODEL 24 1 H GLU 39 H GLU 39 -5.962 -7.081 -6.103 2 HA GLU 39 HA GLU 39 -5.430 -7.576 -8.937 3 HB2 GLU 39 HB2 GLU 39 -7.842 -8.085 -8.306 4 HB3 GLU 39 HB3 GLU 39 -8.012 -6.417 -7.847 5 HG2 GLU 39 HG2 GLU 39 -7.122 -6.222 -10.434 6 HG3 GLU 39 HG3 GLU 39 -8.240 -7.596 -10.475 No H/Q in entry = 6 In of MODEL 24 1 H ARG 40 H ARG 40 -4.024 -6.070 -9.507 2 HA ARG 40 HA ARG 40 -3.215 -3.853 -8.080 3 HB2 ARG 40 HB2 ARG 40 -2.431 -5.101 -10.394 4 HB3 ARG 40 HB3 ARG 40 -3.034 -3.583 -11.029 5 HG2 ARG 40 HG2 ARG 40 -1.487 -2.386 -9.492 6 HG3 ARG 40 HG3 ARG 40 -0.833 -3.947 -9.003 7 HD2 ARG 40 HD2 ARG 40 0.625 -2.979 -10.672 8 HD3 ARG 40 HD3 ARG 40 -0.189 -4.378 -11.380 9 HE ARG 40 HE ARG 40 -1.807 -2.396 -12.149 10 HH11 ARG 40 HH11 ARG 40 1.691 -2.595 -12.221 11 HH12 ARG 40 HH12 ARG 40 1.831 -1.708 -13.705 12 HH21 ARG 40 HH21 ARG 40 -1.611 -1.188 -14.094 13 HH22 ARG 40 HH22 ARG 40 -0.024 -0.883 -14.743 No H/Q in entry = 13 In of MODEL 24 1 H ILE 41 H ILE 41 -4.210 -2.031 -7.541 2 HA ILE 41 HA ILE 41 -6.678 -1.176 -8.569 3 HB ILE 41 HB ILE 41 -4.629 0.351 -6.954 4 HG12 ILE 41 HG12 ILE 41 -7.085 -1.173 -6.091 5 HG13 ILE 41 HG13 ILE 41 -5.436 -1.769 -5.952 6 HG21 ILE 41 HG21 ILE 41 -7.554 0.950 -7.422 7 HG22 ILE 41 HG22 ILE 41 -6.519 1.783 -6.266 8 HG23 ILE 41 HG23 ILE 41 -6.188 1.905 -7.993 9 HD11 ILE 41 HD11 ILE 41 -6.247 0.784 -4.638 10 HD12 ILE 41 HD12 ILE 41 -6.588 -0.784 -3.902 11 HD13 ILE 41 HD13 ILE 41 -4.917 -0.321 -4.250 No H/Q in entry = 11 In of MODEL 24 1 H GLU 42 H GLU 42 -3.831 0.930 -8.581 2 HA GLU 42 HA GLU 42 -2.426 0.902 -10.633 3 HB2 GLU 42 HB2 GLU 42 -5.059 1.558 -11.962 4 HB3 GLU 42 HB3 GLU 42 -3.490 1.763 -12.720 5 HG2 GLU 42 HG2 GLU 42 -3.209 -0.769 -12.157 6 HG3 GLU 42 HG3 GLU 42 -4.970 -0.733 -12.060 No H/Q in entry = 6 In of MODEL 24 1 H LYS 43 H LYS 43 -4.808 3.067 -9.201 2 HA LYS 43 HA LYS 43 -3.580 5.419 -10.362 3 HB2 LYS 43 HB2 LYS 43 -5.541 5.329 -8.074 4 HB3 LYS 43 HB3 LYS 43 -5.209 6.676 -9.148 5 HG2 LYS 43 HG2 LYS 43 -6.777 4.170 -9.725 6 HG3 LYS 43 HG3 LYS 43 -7.321 5.851 -9.774 7 HD2 LYS 43 HD2 LYS 43 -5.752 6.222 -11.682 8 HD3 LYS 43 HD3 LYS 43 -5.409 4.488 -11.668 9 HE2 LYS 43 HE2 LYS 43 -8.125 5.746 -12.087 10 HE3 LYS 43 HE3 LYS 43 -7.105 5.063 -13.352 11 HZ1 LYS 43 HZ1 LYS 43 -8.113 3.496 -11.038 12 HZ2 LYS 43 HZ2 LYS 43 -8.905 3.570 -12.534 13 HZ3 LYS 43 HZ3 LYS 43 -7.349 2.901 -12.433 No H/Q in entry = 13 In of MODEL 24 1 H VAL 44 H VAL 44 -1.512 4.198 -9.127 2 HA VAL 44 HA VAL 44 -1.358 5.458 -6.480 3 HB VAL 44 HB VAL 44 -1.470 2.735 -6.791 4 HG11 VAL 44 HG11 VAL 44 1.430 3.467 -6.603 5 HG12 VAL 44 HG12 VAL 44 0.770 1.860 -6.302 6 HG13 VAL 44 HG13 VAL 44 0.659 2.573 -7.914 7 HG21 VAL 44 HG21 VAL 44 -1.753 3.954 -4.717 8 HG22 VAL 44 HG22 VAL 44 -0.647 2.595 -4.510 9 HG23 VAL 44 HG23 VAL 44 -0.014 4.238 -4.636 No H/Q in entry = 9 In of MODEL 24 1 H GLU 45 H GLU 45 0.452 6.599 -6.121 2 HA GLU 45 HA GLU 45 2.777 6.254 -7.838 3 HB2 GLU 45 HB2 GLU 45 0.949 8.598 -7.999 4 HB3 GLU 45 HB3 GLU 45 2.676 8.886 -8.153 5 HG2 GLU 45 HG2 GLU 45 1.123 6.934 -9.834 6 HG3 GLU 45 HG3 GLU 45 1.504 8.591 -10.311 No H/Q in entry = 6 In of MODEL 24 1 H HIS 46 H HIS 46 4.329 6.028 -6.362 2 HA HIS 46 HA HIS 46 4.885 8.478 -4.841 3 HB2 HIS 46 HB2 HIS 46 4.157 6.846 -3.183 4 HB3 HIS 46 HB3 HIS 46 5.263 5.644 -3.833 5 HD2 HIS 46 HD2 HIS 46 5.912 9.302 -2.442 6 HE1 HIS 46 HE1 HIS 46 8.632 6.549 -0.741 7 HE2 HIS 46 HE2 HIS 46 7.698 8.903 -0.602 No H/Q in entry = 7 In of MODEL 24 1 H SER 47 H SER 47 6.664 9.341 -5.642 2 HA SER 47 HA SER 47 8.614 7.635 -6.963 3 HB2 SER 47 HB2 SER 47 8.536 10.656 -6.702 4 HB3 SER 47 HB3 SER 47 9.539 9.719 -7.811 5 HG SER 47 HG SER 47 7.087 8.937 -8.254 No H/Q in entry = 5 In of MODEL 24 1 H ASP 48 H ASP 48 10.679 7.373 -6.311 2 HA ASP 48 HA ASP 48 11.126 7.383 -3.542 3 HB2 ASP 48 HB2 ASP 48 13.441 6.640 -4.172 4 HB3 ASP 48 HB3 ASP 48 12.137 5.685 -4.862 No H/Q in entry = 4 In of MODEL 24 1 H LEU 49 H LEU 49 12.318 8.560 -2.247 2 HA LEU 49 HA LEU 49 11.981 11.245 -2.237 3 HB2 LEU 49 HB2 LEU 49 14.495 10.390 -0.865 4 HB3 LEU 49 HB3 LEU 49 13.170 11.387 -0.275 5 HG LEU 49 HG LEU 49 13.108 9.467 1.057 6 HD11 LEU 49 HD11 LEU 49 10.896 10.037 0.278 7 HD12 LEU 49 HD12 LEU 49 11.090 8.975 -1.117 8 HD13 LEU 49 HD13 LEU 49 11.042 8.295 0.510 9 HD21 LEU 49 HD21 LEU 49 14.656 8.090 -0.252 10 HD22 LEU 49 HD22 LEU 49 13.253 7.179 0.301 11 HD23 LEU 49 HD23 LEU 49 13.355 7.703 -1.379 No H/Q in entry = 11 In of MODEL 24 1 H SER 50 H SER 50 15.131 11.553 -1.489 2 HA SER 50 HA SER 50 15.883 13.307 -3.479 3 HB2 SER 50 HB2 SER 50 17.869 11.484 -2.112 4 HB3 SER 50 HB3 SER 50 18.088 13.160 -2.615 5 HG SER 50 HG SER 50 17.338 12.282 -0.257 No H/Q in entry = 5 In of MODEL 24 1 H PHE 51 H PHE 51 16.924 9.935 -3.166 2 HA PHE 51 HA PHE 51 16.104 9.340 -5.805 3 HB2 PHE 51 HB2 PHE 51 18.294 8.547 -6.647 4 HB3 PHE 51 HB3 PHE 51 18.243 10.289 -6.444 5 HD1 PHE 51 HD1 PHE 51 19.306 11.231 -4.280 6 HD2 PHE 51 HD2 PHE 51 20.028 7.313 -5.775 7 HE1 PHE 51 HE1 PHE 51 21.413 11.142 -3.016 8 HE2 PHE 51 HE2 PHE 51 22.133 7.213 -4.505 9 HZ PHE 51 HZ PHE 51 22.829 9.130 -3.126 No H/Q in entry = 9 In of MODEL 24 1 H SER 52 H SER 52 17.223 6.910 -6.162 2 HA SER 52 HA SER 52 15.564 5.441 -4.516 3 HB2 SER 52 HB2 SER 52 17.893 4.512 -6.194 4 HB3 SER 52 HB3 SER 52 16.603 3.478 -5.572 5 HG SER 52 HG SER 52 15.401 5.487 -6.760 No H/Q in entry = 5 In of MODEL 24 1 H LYS 53 H LYS 53 19.074 5.913 -4.236 2 HA LYS 53 HA LYS 53 19.012 4.374 -1.744 3 HB2 LYS 53 HB2 LYS 53 20.770 3.838 -3.441 4 HB3 LYS 53 HB3 LYS 53 21.421 5.457 -3.212 5 HG2 LYS 53 HG2 LYS 53 21.852 4.954 -0.860 6 HG3 LYS 53 HG3 LYS 53 21.206 3.329 -1.090 7 HD2 LYS 53 HD2 LYS 53 23.612 4.484 -2.497 8 HD3 LYS 53 HD3 LYS 53 23.656 3.360 -1.138 9 HE2 LYS 53 HE2 LYS 53 22.402 1.727 -2.527 10 HE3 LYS 53 HE3 LYS 53 22.539 2.842 -3.888 11 HZ1 LYS 53 HZ1 LYS 53 24.990 2.703 -3.608 12 HZ2 LYS 53 HZ2 LYS 53 24.755 1.477 -2.455 13 HZ3 LYS 53 HZ3 LYS 53 24.266 1.239 -4.061 No H/Q in entry = 13 In of MODEL 24 1 H ASP 54 H ASP 54 18.211 5.710 -0.229 2 HA ASP 54 HA ASP 54 19.805 8.046 0.466 3 HB2 ASP 54 HB2 ASP 54 18.014 8.968 -0.935 4 HB3 ASP 54 HB3 ASP 54 16.793 8.194 0.056 No H/Q in entry = 4 In of MODEL 24 1 H TRP 55 H TRP 55 16.795 6.404 1.388 2 HA TRP 55 HA TRP 55 17.572 4.974 3.603 3 HB2 TRP 55 HB2 TRP 55 18.034 7.562 4.277 4 HB3 TRP 55 HB3 TRP 55 16.348 7.427 4.752 5 HD1 TRP 55 HD1 TRP 55 18.121 7.991 7.093 6 HE1 TRP 55 HE1 TRP 55 18.734 6.262 8.879 7 HE3 TRP 55 HE3 TRP 55 17.173 3.607 4.480 8 HZ2 TRP 55 HZ2 TRP 55 18.777 3.537 9.197 9 HZ3 TRP 55 HZ3 TRP 55 17.545 1.489 5.664 10 HH2 TRP 55 HH2 TRP 55 18.332 1.441 7.972 No H/Q in entry = 10 In of MODEL 24 1 H SER 56 H SER 56 15.654 4.152 4.734 2 HA SER 56 HA SER 56 13.347 4.433 2.998 3 HB2 SER 56 HB2 SER 56 12.526 2.357 4.199 4 HB3 SER 56 HB3 SER 56 14.026 2.167 3.280 5 HG SER 56 HG SER 56 14.678 1.372 5.135 No H/Q in entry = 5 In of MODEL 24 1 H PHE 57 H PHE 57 14.000 4.473 6.556 2 HA PHE 57 HA PHE 57 12.562 5.043 8.235 3 HB2 PHE 57 HB2 PHE 57 12.417 7.633 8.225 4 HB3 PHE 57 HB3 PHE 57 13.974 6.827 8.331 5 HD1 PHE 57 HD1 PHE 57 11.868 7.602 5.331 6 HD2 PHE 57 HD2 PHE 57 15.495 8.230 7.459 7 HE1 PHE 57 HE1 PHE 57 12.737 8.930 3.448 8 HE2 PHE 57 HE2 PHE 57 16.373 9.552 5.590 9 HZ PHE 57 HZ PHE 57 14.989 9.911 3.576 No H/Q in entry = 9 In of MODEL 24 1 H TYR 58 H TYR 58 10.867 3.969 6.402 2 HA TYR 58 HA TYR 58 8.598 3.593 6.673 3 HB2 TYR 58 HB2 TYR 58 8.804 6.173 8.047 4 HB3 TYR 58 HB3 TYR 58 7.307 6.010 7.137 5 HD1 TYR 58 HD1 TYR 58 9.263 3.369 8.898 6 HD2 TYR 58 HD2 TYR 58 5.669 5.656 8.803 7 HE1 TYR 58 HE1 TYR 58 8.333 1.961 10.696 8 HE2 TYR 58 HE2 TYR 58 4.725 4.245 10.617 9 HH TYR 58 HH TYR 58 5.020 2.077 11.604 No H/Q in entry = 9 In of MODEL 24 1 H LEU 59 H LEU 59 7.963 3.123 4.815 2 HA LEU 59 HA LEU 59 8.102 5.014 2.541 3 HB2 LEU 59 HB2 LEU 59 8.496 2.119 2.967 4 HB3 LEU 59 HB3 LEU 59 7.592 2.521 1.526 5 HG LEU 59 HG LEU 59 10.255 3.827 2.026 6 HD11 LEU 59 HD11 LEU 59 9.788 1.076 0.883 7 HD12 LEU 59 HD12 LEU 59 11.291 1.984 0.741 8 HD13 LEU 59 HD13 LEU 59 10.713 1.478 2.328 9 HD21 LEU 59 HD21 LEU 59 8.653 3.062 -0.413 10 HD22 LEU 59 HD22 LEU 59 8.930 4.690 0.209 11 HD23 LEU 59 HD23 LEU 59 10.271 3.766 -0.460 No H/Q in entry = 11 In of MODEL 24 1 H LEU 60 H LEU 60 6.171 5.796 1.797 2 HA LEU 60 HA LEU 60 3.754 4.172 2.174 3 HB2 LEU 60 HB2 LEU 60 3.735 5.837 3.919 4 HB3 LEU 60 HB3 LEU 60 4.133 7.096 2.763 5 HG LEU 60 HG LEU 60 1.930 6.762 1.680 6 HD11 LEU 60 HD11 LEU 60 1.581 4.435 2.381 7 HD12 LEU 60 HD12 LEU 60 1.375 4.982 4.045 8 HD13 LEU 60 HD13 LEU 60 0.222 5.475 2.808 9 HD21 LEU 60 HD21 LEU 60 2.268 8.519 3.342 10 HD22 LEU 60 HD22 LEU 60 0.634 7.861 3.427 11 HD23 LEU 60 HD23 LEU 60 1.838 7.391 4.628 No H/Q in entry = 11 In of MODEL 24 1 H TYR 61 H TYR 61 2.300 4.242 0.513 2 HA TYR 61 HA TYR 61 2.859 5.984 -1.806 3 HB2 TYR 61 HB2 TYR 61 1.995 3.060 -1.726 4 HB3 TYR 61 HB3 TYR 61 1.835 4.057 -3.182 5 HD1 TYR 61 HD1 TYR 61 3.480 3.686 -4.749 6 HD2 TYR 61 HD2 TYR 61 4.546 3.400 -0.646 7 HE1 TYR 61 HE1 TYR 61 5.784 3.142 -5.404 8 HE2 TYR 61 HE2 TYR 61 6.862 2.860 -1.293 9 HH TYR 61 HH TYR 61 8.103 1.998 -3.147 No H/Q in entry = 9 In of MODEL 24 1 H TYR 62 H TYR 62 0.743 6.338 -3.165 2 HA TYR 62 HA TYR 62 -1.582 6.158 -1.407 3 HB2 TYR 62 HB2 TYR 62 -2.210 8.550 -1.925 4 HB3 TYR 62 HB3 TYR 62 -0.911 8.295 -0.776 5 HD1 TYR 62 HD1 TYR 62 1.105 9.442 -1.034 6 HD2 TYR 62 HD2 TYR 62 -1.512 9.138 -4.384 7 HE1 TYR 62 HE1 TYR 62 2.496 11.049 -2.268 8 HE2 TYR 62 HE2 TYR 62 -0.122 10.740 -5.622 9 HH TYR 62 HH TYR 62 2.974 11.669 -4.590 No H/Q in entry = 9 In of MODEL 24 1 H THR 63 H THR 63 -3.505 5.850 -2.355 2 HA THR 63 HA THR 63 -3.873 6.444 -5.189 3 HB THR 63 HB THR 63 -3.159 3.969 -4.846 4 HG1 THR 63 HG1 THR 63 -4.471 5.072 -6.643 5 HG21 THR 63 HG21 THR 63 -4.627 3.452 -2.945 6 HG22 THR 63 HG22 THR 63 -6.034 3.792 -3.947 7 HG23 THR 63 HG23 THR 63 -4.990 2.425 -4.330 No H/Q in entry = 7 In of MODEL 24 1 H GLU 64 H GLU 64 -5.990 6.973 -5.708 2 HA GLU 64 HA GLU 64 -7.790 7.742 -3.666 3 HB2 GLU 64 HB2 GLU 64 -7.714 8.804 -5.939 4 HB3 GLU 64 HB3 GLU 64 -8.344 7.315 -6.619 5 HG2 GLU 64 HG2 GLU 64 -10.433 7.605 -5.425 6 HG3 GLU 64 HG3 GLU 64 -9.776 9.003 -4.570 No H/Q in entry = 6 In of MODEL 24 1 H PHE 65 H PHE 65 -9.545 6.670 -2.755 2 HA PHE 65 HA PHE 65 -10.351 4.141 -3.992 3 HB2 PHE 65 HB2 PHE 65 -10.336 2.955 -1.924 4 HB3 PHE 65 HB3 PHE 65 -8.784 3.736 -2.101 5 HD1 PHE 65 HD1 PHE 65 -12.071 4.836 -0.676 6 HD2 PHE 65 HD2 PHE 65 -7.897 4.295 -0.097 7 HE1 PHE 65 HE1 PHE 65 -12.270 5.749 1.602 8 HE2 PHE 65 HE2 PHE 65 -8.100 5.212 2.186 9 HZ PHE 65 HZ PHE 65 -10.295 5.940 3.033 No H/Q in entry = 9 In of MODEL 24 1 H THR 66 H THR 66 -12.505 3.451 -3.510 2 HA THR 66 HA THR 66 -14.042 5.136 -1.660 3 HB THR 66 HB THR 66 -15.043 4.120 -4.344 4 HG1 THR 66 HG1 THR 66 -13.749 6.393 -3.589 5 HG21 THR 66 HG21 THR 66 -16.389 5.772 -2.196 6 HG22 THR 66 HG22 THR 66 -17.018 5.547 -3.829 7 HG23 THR 66 HG23 THR 66 -16.852 4.160 -2.755 No H/Q in entry = 7 In of MODEL 24 1 HA PRO 67 HA PRO 67 -14.409 0.859 -0.240 2 HB2 PRO 67 HB2 PRO 67 -15.770 1.638 2.132 3 HB3 PRO 67 HB3 PRO 67 -14.075 1.194 1.961 4 HG2 PRO 67 HG2 PRO 67 -15.096 3.762 2.536 5 HG3 PRO 67 HG3 PRO 67 -13.419 3.336 2.164 6 HD2 PRO 67 HD2 PRO 67 -15.423 4.662 0.503 7 HD3 PRO 67 HD3 PRO 67 -13.661 4.595 0.307 No H/Q in entry = 7 In of MODEL 24 1 H THR 68 H THR 68 -15.815 -0.608 -0.339 2 HA THR 68 HA THR 68 -18.687 -0.049 -0.238 3 HB THR 68 HB THR 68 -19.114 -1.492 -2.140 4 HG1 THR 68 HG1 THR 68 -16.917 -2.089 -3.288 5 HG21 THR 68 HG21 THR 68 -16.901 0.438 -2.851 6 HG22 THR 68 HG22 THR 68 -18.052 -0.270 -3.983 7 HG23 THR 68 HG23 THR 68 -18.615 0.832 -2.725 No H/Q in entry = 7 In of MODEL 24 1 H GLU 69 H GLU 69 -19.880 -2.020 0.399 2 HA GLU 69 HA GLU 69 -18.479 -3.668 2.211 3 HB2 GLU 69 HB2 GLU 69 -20.554 -4.926 2.435 4 HB3 GLU 69 HB3 GLU 69 -20.857 -3.195 2.481 5 HG2 GLU 69 HG2 GLU 69 -21.379 -5.089 0.215 6 HG3 GLU 69 HG3 GLU 69 -22.565 -4.310 1.247 No H/Q in entry = 6 In of MODEL 24 1 H LYS 70 H LYS 70 -18.165 -3.770 -1.044 2 HA LYS 70 HA LYS 70 -17.903 -6.689 -1.080 3 HB2 LYS 70 HB2 LYS 70 -18.286 -4.835 -3.427 4 HB3 LYS 70 HB3 LYS 70 -18.156 -6.582 -3.517 5 HG2 LYS 70 HG2 LYS 70 -20.341 -5.296 -1.916 6 HG3 LYS 70 HG3 LYS 70 -20.485 -5.478 -3.661 7 HD2 LYS 70 HD2 LYS 70 -21.498 -7.400 -2.976 8 HD3 LYS 70 HD3 LYS 70 -19.844 -7.979 -3.127 9 HE2 LYS 70 HE2 LYS 70 -20.651 -8.827 -1.076 10 HE3 LYS 70 HE3 LYS 70 -19.605 -7.483 -0.647 11 HZ1 LYS 70 HZ1 LYS 70 -21.583 -6.082 -0.447 12 HZ2 LYS 70 HZ2 LYS 70 -22.565 -7.421 -0.773 13 HZ3 LYS 70 HZ3 LYS 70 -21.615 -7.385 0.635 No H/Q in entry = 13 In of MODEL 24 1 H ASP 71 H ASP 71 -16.171 -3.692 -1.843 2 HA ASP 71 HA ASP 71 -14.058 -5.271 -3.080 3 HB2 ASP 71 HB2 ASP 71 -14.245 -2.266 -2.788 4 HB3 ASP 71 HB3 ASP 71 -13.023 -3.140 -3.678 No H/Q in entry = 4 In of MODEL 24 1 H GLU 72 H GLU 72 -12.281 -5.835 -2.064 2 HA GLU 72 HA GLU 72 -11.621 -4.948 0.641 3 HB2 GLU 72 HB2 GLU 72 -11.701 -7.341 0.285 4 HB3 GLU 72 HB3 GLU 72 -10.695 -7.214 -1.148 5 HG2 GLU 72 HG2 GLU 72 -8.861 -6.379 0.415 6 HG3 GLU 72 HG3 GLU 72 -9.894 -6.948 1.716 No H/Q in entry = 6 In of MODEL 24 1 H TYR 73 H TYR 73 -9.522 -4.060 1.132 2 HA TYR 73 HA TYR 73 -7.905 -3.362 -1.251 3 HB2 TYR 73 HB2 TYR 73 -8.402 -1.717 1.238 4 HB3 TYR 73 HB3 TYR 73 -7.172 -1.329 0.047 5 HD1 TYR 73 HD1 TYR 73 -7.727 -0.109 -1.884 6 HD2 TYR 73 HD2 TYR 73 -10.824 -1.819 0.471 7 HE1 TYR 73 HE1 TYR 73 -9.405 1.114 -3.212 8 HE2 TYR 73 HE2 TYR 73 -12.510 -0.596 -0.850 9 HH TYR 73 HH TYR 73 -12.723 1.288 -2.291 No H/Q in entry = 9 In of MODEL 24 1 H ALA 74 H ALA 74 -5.808 -3.932 -1.277 2 HA ALA 74 HA ALA 74 -4.540 -4.838 1.214 3 HB1 ALA 74 HB1 ALA 74 -5.350 -6.817 0.106 4 HB2 ALA 74 HB2 ALA 74 -4.616 -6.307 -1.417 5 HB3 ALA 74 HB3 ALA 74 -3.603 -6.749 -0.044 No H/Q in entry = 5 In of MODEL 24 1 H CYS 75 H CYS 75 -2.165 -4.858 1.112 2 HA CYS 75 HA CYS 75 -1.073 -3.376 -1.201 3 HB2 CYS 75 HB2 CYS 75 -1.043 -1.879 0.655 4 HB3 CYS 75 HB3 CYS 75 -0.368 -3.107 1.713 No H/Q in entry = 4 In of MODEL 24 1 H ARG 76 H ARG 76 0.576 -4.332 -2.254 2 HA ARG 76 HA ARG 76 1.567 -6.913 -1.224 3 HB2 ARG 76 HB2 ARG 76 0.302 -6.605 -3.467 4 HB3 ARG 76 HB3 ARG 76 1.807 -5.884 -4.042 5 HG2 ARG 76 HG2 ARG 76 2.956 -7.956 -3.800 6 HG3 ARG 76 HG3 ARG 76 1.629 -8.671 -2.881 7 HD2 ARG 76 HD2 ARG 76 1.555 -9.542 -5.164 8 HD3 ARG 76 HD3 ARG 76 0.185 -8.466 -4.914 9 HE ARG 76 HE ARG 76 2.187 -6.873 -5.942 10 HH11 ARG 76 HH11 ARG 76 0.357 -9.667 -6.978 11 HH12 ARG 76 HH12 ARG 76 0.662 -9.395 -8.669 12 HH21 ARG 76 HH21 ARG 76 2.580 -6.495 -8.170 13 HH22 ARG 76 HH22 ARG 76 1.906 -7.582 -9.350 No H/Q in entry = 13 In of MODEL 24 1 H VAL 77 H VAL 77 3.746 -7.081 -0.695 2 HA VAL 77 HA VAL 77 5.565 -5.181 -2.024 3 HB VAL 77 HB VAL 77 5.005 -4.549 0.435 4 HG11 VAL 77 HG11 VAL 77 7.015 -6.746 0.900 5 HG12 VAL 77 HG12 VAL 77 6.493 -5.557 2.096 6 HG13 VAL 77 HG13 VAL 77 5.336 -6.722 1.450 7 HG21 VAL 77 HG21 VAL 77 6.766 -3.546 -0.994 8 HG22 VAL 77 HG22 VAL 77 7.178 -3.579 0.723 9 HG23 VAL 77 HG23 VAL 77 7.894 -4.757 -0.380 No H/Q in entry = 9 In of MODEL 24 1 H ASN 78 H ASN 78 7.377 -5.904 -2.743 2 HA ASN 78 HA ASN 78 8.353 -8.567 -1.896 3 HB2 ASN 78 HB2 ASN 78 7.229 -8.699 -4.131 4 HB3 ASN 78 HB3 ASN 78 8.405 -7.544 -4.747 5 HD21 ASN 78 HD21 ASN 78 9.279 -8.943 -6.251 6 HD22 ASN 78 HD22 ASN 78 10.239 -10.315 -5.795 No H/Q in entry = 6 In of MODEL 24 1 H HIS 79 H HIS 79 10.485 -8.841 -1.716 2 HA HIS 79 HA HIS 79 12.268 -6.654 -2.497 3 HB2 HIS 79 HB2 HIS 79 11.737 -6.444 -0.061 4 HB3 HIS 79 HB3 HIS 79 12.352 -8.069 0.187 5 HD2 HIS 79 HD2 HIS 79 13.641 -4.454 -0.325 6 HE1 HIS 79 HE1 HIS 79 16.946 -6.990 0.389 7 HE2 HIS 79 HE2 HIS 79 16.211 -4.610 -0.068 No H/Q in entry = 7 In of MODEL 24 1 H VAL 80 H VAL 80 14.531 -7.400 -2.656 2 HA VAL 80 HA VAL 80 14.917 -9.708 -4.106 3 HB VAL 80 HB VAL 80 16.997 -8.447 -2.311 4 HG11 VAL 80 HG11 VAL 80 17.279 -10.120 -4.809 5 HG12 VAL 80 HG12 VAL 80 18.603 -9.297 -3.979 6 HG13 VAL 80 HG13 VAL 80 17.722 -10.594 -3.170 7 HG21 VAL 80 HG21 VAL 80 16.228 -7.771 -5.147 8 HG22 VAL 80 HG22 VAL 80 15.960 -6.769 -3.721 9 HG23 VAL 80 HG23 VAL 80 17.601 -7.097 -4.268 No H/Q in entry = 9 In of MODEL 24 1 H THR 81 H THR 81 14.853 -9.373 -0.628 2 HA THR 81 HA THR 81 16.103 -11.900 -0.077 3 HB THR 81 HB THR 81 16.167 -10.340 1.725 4 HG1 THR 81 HG1 THR 81 15.790 -12.610 2.263 5 HG21 THR 81 HG21 THR 81 14.172 -9.013 1.180 6 HG22 THR 81 HG22 THR 81 13.140 -10.340 1.709 7 HG23 THR 81 HG23 THR 81 14.168 -9.504 2.874 No H/Q in entry = 7 In of MODEL 24 1 H LEU 82 H LEU 82 12.643 -10.911 -0.001 2 HA LEU 82 HA LEU 82 11.701 -13.568 0.339 3 HB2 LEU 82 HB2 LEU 82 10.144 -11.417 -1.081 4 HB3 LEU 82 HB3 LEU 82 9.534 -12.761 -0.132 5 HG LEU 82 HG LEU 82 11.011 -10.413 1.034 6 HD11 LEU 82 HD11 LEU 82 8.905 -9.729 0.067 7 HD12 LEU 82 HD12 LEU 82 8.067 -10.999 0.962 8 HD13 LEU 82 HD13 LEU 82 8.847 -9.674 1.828 9 HD21 LEU 82 HD21 LEU 82 11.193 -12.476 2.347 10 HD22 LEU 82 HD22 LEU 82 10.199 -11.269 3.164 11 HD23 LEU 82 HD23 LEU 82 9.436 -12.627 2.338 No H/Q in entry = 11 In of MODEL 24 1 H SER 83 H SER 83 10.786 -14.994 -1.184 2 HA SER 83 HA SER 83 11.502 -14.474 -4.001 3 HB2 SER 83 HB2 SER 83 12.417 -16.559 -2.946 4 HB3 SER 83 HB3 SER 83 10.763 -17.113 -2.697 5 HG SER 83 HG SER 83 10.630 -16.680 -5.115 No H/Q in entry = 5 In of MODEL 24 1 H GLN 84 H GLN 84 9.066 -14.289 -1.838 2 HA GLN 84 HA GLN 84 7.059 -14.186 -3.941 3 HB2 GLN 84 HB2 GLN 84 5.398 -15.386 -2.502 4 HB3 GLN 84 HB3 GLN 84 6.702 -16.405 -3.092 5 HG2 GLN 84 HG2 GLN 84 7.781 -16.337 -0.913 6 HG3 GLN 84 HG3 GLN 84 6.570 -15.193 -0.327 7 HE21 GLN 84 HE21 GLN 84 7.170 -18.483 -1.300 8 HE22 GLN 84 HE22 GLN 84 5.767 -19.164 -0.547 No H/Q in entry = 8 In of MODEL 24 1 HA PRO 85 HA PRO 85 6.361 -10.419 -1.512 2 HB2 PRO 85 HB2 PRO 85 4.218 -9.507 -2.954 3 HB3 PRO 85 HB3 PRO 85 5.917 -9.204 -3.369 4 HG2 PRO 85 HG2 PRO 85 3.998 -11.174 -4.525 5 HG3 PRO 85 HG3 PRO 85 5.297 -10.259 -5.324 6 HD2 PRO 85 HD2 PRO 85 5.529 -12.932 -4.654 7 HD3 PRO 85 HD3 PRO 85 6.930 -11.813 -4.747 No H/Q in entry = 7 In of MODEL 24 1 H LYS 86 H LYS 86 4.687 -9.533 -0.206 2 HA LYS 86 HA LYS 86 2.703 -11.578 0.552 3 HB2 LYS 86 HB2 LYS 86 3.804 -9.352 2.274 4 HB3 LYS 86 HB3 LYS 86 2.745 -10.650 2.797 5 HG2 LYS 86 HG2 LYS 86 5.620 -10.869 1.923 6 HG3 LYS 86 HG3 LYS 86 4.983 -11.087 3.550 7 HD2 LYS 86 HD2 LYS 86 3.550 -12.927 2.043 8 HD3 LYS 86 HD3 LYS 86 5.171 -12.981 1.346 9 HE2 LYS 86 HE2 LYS 86 6.111 -13.316 3.602 10 HE3 LYS 86 HE3 LYS 86 4.480 -13.321 4.267 11 HZ1 LYS 86 HZ1 LYS 86 5.545 -15.267 2.293 12 HZ2 LYS 86 HZ2 LYS 86 5.337 -15.556 3.948 13 HZ3 LYS 86 HZ3 LYS 86 3.985 -15.287 2.960 No H/Q in entry = 13 In of MODEL 24 1 H ILE 87 H ILE 87 0.646 -10.931 1.136 2 HA ILE 87 HA ILE 87 -0.130 -8.217 0.272 3 HB ILE 87 HB ILE 87 -1.421 -10.780 -0.302 4 HG12 ILE 87 HG12 ILE 87 -0.871 -9.516 -2.183 5 HG13 ILE 87 HG13 ILE 87 -2.595 -9.167 -2.002 6 HG21 ILE 87 HG21 ILE 87 -3.089 -8.545 0.808 7 HG22 ILE 87 HG22 ILE 87 -3.740 -9.811 -0.237 8 HG23 ILE 87 HG23 ILE 87 -3.038 -10.229 1.331 9 HD11 ILE 87 HD11 ILE 87 -0.371 -7.412 -1.015 10 HD12 ILE 87 HD12 ILE 87 -1.289 -7.176 -2.499 11 HD13 ILE 87 HD13 ILE 87 -2.099 -7.077 -0.941 No H/Q in entry = 11 In of MODEL 24 1 H VAL 88 H VAL 88 -1.031 -6.883 1.665 2 HA VAL 88 HA VAL 88 -1.944 -7.953 4.253 3 HB VAL 88 HB VAL 88 0.056 -6.606 4.566 4 HG11 VAL 88 HG11 VAL 88 -1.418 -4.405 3.164 5 HG12 VAL 88 HG12 VAL 88 0.115 -4.223 4.017 6 HG13 VAL 88 HG13 VAL 88 0.018 -5.250 2.583 7 HG21 VAL 88 HG21 VAL 88 -2.496 -5.305 5.470 8 HG22 VAL 88 HG22 VAL 88 -1.478 -6.438 6.359 9 HG23 VAL 88 HG23 VAL 88 -0.904 -4.798 6.044 No H/Q in entry = 9 In of MODEL 24 1 H LYS 89 H LYS 89 -4.102 -7.649 4.596 2 HA LYS 89 HA LYS 89 -5.426 -5.779 2.760 3 HB2 LYS 89 HB2 LYS 89 -6.701 -8.149 4.125 4 HB3 LYS 89 HB3 LYS 89 -7.353 -7.177 2.808 5 HG2 LYS 89 HG2 LYS 89 -5.998 -8.146 1.233 6 HG3 LYS 89 HG3 LYS 89 -4.789 -8.615 2.431 7 HD2 LYS 89 HD2 LYS 89 -7.543 -9.808 2.262 8 HD3 LYS 89 HD3 LYS 89 -6.116 -10.525 1.510 9 HE2 LYS 89 HE2 LYS 89 -5.068 -10.637 3.767 10 HE3 LYS 89 HE3 LYS 89 -6.581 -10.043 4.454 11 HZ1 LYS 89 HZ1 LYS 89 -7.700 -12.001 3.590 12 HZ2 LYS 89 HZ2 LYS 89 -6.249 -12.572 2.927 13 HZ3 LYS 89 HZ3 LYS 89 -6.421 -12.439 4.610 No H/Q in entry = 13 In of MODEL 24 1 H TRP 90 H TRP 90 -7.115 -4.498 3.543 2 HA TRP 90 HA TRP 90 -6.629 -3.680 6.290 3 HB2 TRP 90 HB2 TRP 90 -6.611 -2.008 4.456 4 HB3 TRP 90 HB3 TRP 90 -8.298 -2.377 4.125 5 HD1 TRP 90 HD1 TRP 90 -6.582 -1.415 7.530 6 HE1 TRP 90 HE1 TRP 90 -7.864 0.534 8.518 7 HE3 TRP 90 HE3 TRP 90 -9.942 -0.637 3.698 8 HZ2 TRP 90 HZ2 TRP 90 -10.043 2.165 7.851 9 HZ3 TRP 90 HZ3 TRP 90 -11.585 1.171 3.970 10 HH2 TRP 90 HH2 TRP 90 -11.638 2.563 5.982 No H/Q in entry = 10 In of MODEL 24 1 H ASP 91 H ASP 91 -8.064 -3.767 7.950 2 HA ASP 91 HA ASP 91 -10.092 -5.793 7.745 3 HB2 ASP 91 HB2 ASP 91 -10.356 -5.403 10.196 4 HB3 ASP 91 HB3 ASP 91 -8.691 -5.737 9.732 No H/Q in entry = 4 In of MODEL 24 1 H ARG 92 H ARG 92 -11.897 -5.238 6.741 2 HA ARG 92 HA ARG 92 -14.000 -3.947 7.781 3 HB2 ARG 92 HB2 ARG 92 -14.108 -1.700 7.023 4 HB3 ARG 92 HB3 ARG 92 -12.471 -1.897 7.657 5 HG2 ARG 92 HG2 ARG 92 -12.032 -0.752 5.747 6 HG3 ARG 92 HG3 ARG 92 -11.848 -2.427 5.180 7 HD2 ARG 92 HD2 ARG 92 -13.269 -0.666 3.758 8 HD3 ARG 92 HD3 ARG 92 -13.831 -2.336 3.946 9 HE ARG 92 HE ARG 92 -14.821 -0.303 5.811 10 HH11 ARG 92 HH11 ARG 92 -15.388 -2.421 3.084 11 HH12 ARG 92 HH12 ARG 92 -17.112 -2.311 3.187 12 HH21 ARG 92 HH21 ARG 92 -17.075 -0.137 5.954 13 HH22 ARG 92 HH22 ARG 92 -18.090 -1.020 4.845 No H/Q in entry = 13 In of MODEL 24 1 H ASP 93 H ASP 93 -12.221 -5.017 5.112 2 HA ASP 93 HA ASP 93 -14.632 -5.133 3.426 3 HB2 ASP 93 HB2 ASP 93 -12.986 -4.732 1.506 4 HB3 ASP 93 HB3 ASP 93 -13.542 -3.336 2.435 No H/Q in entry = 4 In of MODEL 24 1 HA MET 94 HA MET 94 -11.314 -8.540 2.603 2 HB2 MET 94 HB2 MET 94 -10.228 -9.828 4.551 3 HB3 MET 94 HB3 MET 94 -9.525 -8.292 4.054 4 HG2 MET 94 HG2 MET 94 -9.640 -8.653 6.528 5 HG3 MET 94 HG3 MET 94 -10.388 -7.155 5.972 6 HE1 MET 94 HE1 MET 94 -10.787 -8.428 8.862 7 HE2 MET 94 HE2 MET 94 -11.567 -6.931 8.350 8 HE3 MET 94 HE3 MET 94 -12.524 -8.217 9.091 No H/Q in entry = 8 In of MODEL 25 1 HA MET 1 HA MET 1 5.742 -7.073 8.627 2 HB2 MET 1 HB2 MET 1 5.951 -9.036 7.186 3 HB3 MET 1 HB3 MET 1 4.964 -8.266 5.953 4 HG2 MET 1 HG2 MET 1 6.691 -6.548 5.663 5 HG3 MET 1 HG3 MET 1 7.682 -7.357 6.875 6 HE1 MET 1 HE1 MET 1 8.770 -9.735 6.557 7 HE2 MET 1 HE2 MET 1 7.173 -10.413 6.245 8 HE3 MET 1 HE3 MET 1 8.506 -10.758 5.145 No H/Q in entry = 8 In of MODEL 25 1 H ILE 2 H ILE 2 3.285 -6.661 6.104 2 HA ILE 2 HA ILE 2 3.849 -3.781 6.032 3 HB ILE 2 HB ILE 2 1.654 -5.071 4.422 4 HG12 ILE 2 HG12 ILE 2 4.460 -5.004 3.325 5 HG13 ILE 2 HG13 ILE 2 3.819 -6.424 4.158 6 HG21 ILE 2 HG21 ILE 2 1.993 -2.611 4.427 7 HG22 ILE 2 HG22 ILE 2 3.568 -2.867 3.666 8 HG23 ILE 2 HG23 ILE 2 2.093 -3.347 2.830 9 HD11 ILE 2 HD11 ILE 2 1.994 -6.543 2.529 10 HD12 ILE 2 HD12 ILE 2 2.656 -5.140 1.693 11 HD13 ILE 2 HD13 ILE 2 3.577 -6.646 1.752 No H/Q in entry = 11 In of MODEL 25 1 H GLN 3 H GLN 3 2.271 -2.301 6.686 2 HA GLN 3 HA GLN 3 -0.180 -3.460 7.823 3 HB2 GLN 3 HB2 GLN 3 1.628 -1.438 9.156 4 HB3 GLN 3 HB3 GLN 3 0.005 -1.855 9.731 5 HG2 GLN 3 HG2 GLN 3 0.661 -4.107 10.211 6 HG3 GLN 3 HG3 GLN 3 2.235 -3.861 9.410 7 HE21 GLN 3 HE21 GLN 3 3.371 -4.429 11.253 8 HE22 GLN 3 HE22 GLN 3 3.474 -3.386 12.633 No H/Q in entry = 8 In of MODEL 25 1 H VAL 4 H VAL 4 -1.787 -2.674 6.677 2 HA VAL 4 HA VAL 4 -1.580 -0.022 5.507 3 HB VAL 4 HB VAL 4 -3.854 -0.686 4.452 4 HG11 VAL 4 HG11 VAL 4 -1.354 -2.242 3.777 5 HG12 VAL 4 HG12 VAL 4 -2.743 -2.013 2.713 6 HG13 VAL 4 HG13 VAL 4 -1.765 -0.626 3.199 7 HG21 VAL 4 HG21 VAL 4 -4.345 -2.512 5.993 8 HG22 VAL 4 HG22 VAL 4 -4.274 -3.082 4.326 9 HG23 VAL 4 HG23 VAL 4 -2.925 -3.387 5.420 No H/Q in entry = 9 In of MODEL 25 1 H TYR 5 H TYR 5 -3.173 1.529 5.676 2 HA TYR 5 HA TYR 5 -5.193 1.395 7.747 3 HB2 TYR 5 HB2 TYR 5 -2.808 3.250 7.941 4 HB3 TYR 5 HB3 TYR 5 -4.323 3.565 8.776 5 HD1 TYR 5 HD1 TYR 5 -5.110 1.143 10.041 6 HD2 TYR 5 HD2 TYR 5 -1.143 2.554 9.370 7 HE1 TYR 5 HE1 TYR 5 -4.304 -0.214 11.943 8 HE2 TYR 5 HE2 TYR 5 -0.337 1.207 11.266 9 HH TYR 5 HH TYR 5 -1.130 0.163 13.248 No H/Q in entry = 9 In of MODEL 25 1 H SER 6 H SER 6 -6.140 3.811 7.863 2 HA SER 6 HA SER 6 -5.824 5.136 5.263 3 HB2 SER 6 HB2 SER 6 -8.456 4.683 6.714 4 HB3 SER 6 HB3 SER 6 -8.241 5.623 5.230 5 HG SER 6 HG SER 6 -7.168 3.131 5.023 No H/Q in entry = 5 In of MODEL 25 1 H ARG 7 H ARG 7 -6.352 7.415 5.319 2 HA ARG 7 HA ARG 7 -5.513 8.591 7.833 3 HB2 ARG 7 HB2 ARG 7 -5.244 9.289 5.103 4 HB3 ARG 7 HB3 ARG 7 -6.171 10.575 5.866 5 HG2 ARG 7 HG2 ARG 7 -3.536 9.525 6.881 6 HG3 ARG 7 HG3 ARG 7 -3.729 10.966 5.882 7 HD2 ARG 7 HD2 ARG 7 -5.301 10.723 8.400 8 HD3 ARG 7 HD3 ARG 7 -3.587 11.142 8.497 9 HE ARG 7 HE ARG 7 -4.240 12.987 6.849 10 HH11 ARG 7 HH11 ARG 7 -6.387 11.721 9.302 11 HH12 ARG 7 HH12 ARG 7 -7.228 13.221 9.535 12 HH21 ARG 7 HH21 ARG 7 -5.361 14.960 7.115 13 HH22 ARG 7 HH22 ARG 7 -6.654 15.069 8.284 No H/Q in entry = 13 In of MODEL 25 1 H HIS 8 H HIS 8 -8.449 7.878 6.398 2 HA HIS 8 HA HIS 8 -9.860 9.720 8.181 3 HB2 HIS 8 HB2 HIS 8 -10.488 9.330 5.243 4 HB3 HIS 8 HB3 HIS 8 -11.537 10.165 6.380 5 HD2 HIS 8 HD2 HIS 8 -9.180 11.113 3.753 6 HE1 HIS 8 HE1 HIS 8 -8.708 14.092 6.717 7 HE2 HIS 8 HE2 HIS 8 -8.391 13.523 4.264 No H/Q in entry = 7 In of MODEL 25 1 HA PRO 9 HA PRO 9 -12.381 6.210 9.153 2 HB2 PRO 9 HB2 PRO 9 -14.817 7.856 9.021 3 HB3 PRO 9 HB3 PRO 9 -14.082 7.044 10.414 4 HG2 PRO 9 HG2 PRO 9 -14.027 9.739 10.144 5 HG3 PRO 9 HG3 PRO 9 -12.664 8.844 10.856 6 HD2 PRO 9 HD2 PRO 9 -12.980 9.926 8.075 7 HD3 PRO 9 HD3 PRO 9 -11.560 10.009 9.147 No H/Q in entry = 7 In of MODEL 25 1 H ALA 10 H ALA 10 -13.323 4.608 8.044 2 HA ALA 10 HA ALA 10 -13.751 4.708 5.290 3 HB1 ALA 10 HB1 ALA 10 -14.630 2.448 5.516 4 HB2 ALA 10 HB2 ALA 10 -13.202 2.660 6.526 5 HB3 ALA 10 HB3 ALA 10 -14.807 2.674 7.255 No H/Q in entry = 5 In of MODEL 25 1 H GLU 11 H GLU 11 -15.342 6.148 4.497 2 HA GLU 11 HA GLU 11 -18.091 5.559 5.409 3 HB2 GLU 11 HB2 GLU 11 -16.897 7.998 5.536 4 HB3 GLU 11 HB3 GLU 11 -17.558 8.074 3.914 5 HG2 GLU 11 HG2 GLU 11 -19.108 7.632 6.449 6 HG3 GLU 11 HG3 GLU 11 -19.043 9.097 5.477 No H/Q in entry = 6 In of MODEL 25 1 H ASN 12 H ASN 12 -18.938 4.143 3.941 2 HA ASN 12 HA ASN 12 -18.226 3.634 1.372 3 HB2 ASN 12 HB2 ASN 12 -19.796 2.199 2.408 4 HB3 ASN 12 HB3 ASN 12 -20.932 3.495 2.751 5 HD21 ASN 12 HD21 ASN 12 -22.265 4.243 1.081 6 HD22 ASN 12 HD22 ASN 12 -22.479 3.369 -0.400 No H/Q in entry = 6 In of MODEL 25 1 H GLY 13 H GLY 13 -18.076 4.820 -0.425 2 HA2 GLY 13 HA2 GLY 13 -20.110 6.919 -0.916 3 HA3 GLY 13 HA3 GLY 13 -19.233 6.045 -2.157 No H/Q in entry = 3 In of MODEL 25 1 H LYS 14 H LYS 14 -17.262 7.043 0.478 2 HA LYS 14 HA LYS 14 -16.687 9.650 -0.732 3 HB2 LYS 14 HB2 LYS 14 -15.258 8.388 1.606 4 HB3 LYS 14 HB3 LYS 14 -15.263 10.075 1.147 5 HG2 LYS 14 HG2 LYS 14 -17.661 8.586 2.210 6 HG3 LYS 14 HG3 LYS 14 -16.543 9.533 3.174 7 HD2 LYS 14 HD2 LYS 14 -18.430 10.871 2.797 8 HD3 LYS 14 HD3 LYS 14 -17.123 11.534 1.820 9 HE2 LYS 14 HE2 LYS 14 -19.086 11.586 0.490 10 HE3 LYS 14 HE3 LYS 14 -18.089 10.270 -0.129 11 HZ1 LYS 14 HZ1 LYS 14 -19.476 8.742 1.252 12 HZ2 LYS 14 HZ2 LYS 14 -20.489 10.050 1.613 13 HZ3 LYS 14 HZ3 LYS 14 -20.334 9.515 0.011 No H/Q in entry = 13 In of MODEL 25 1 H SER 15 H SER 15 -14.707 10.208 -1.663 2 HA SER 15 HA SER 15 -12.842 7.994 -2.064 3 HB2 SER 15 HB2 SER 15 -11.729 9.813 -3.610 4 HB3 SER 15 HB3 SER 15 -13.104 8.858 -4.164 5 HG SER 15 HG SER 15 -12.889 11.539 -3.760 No H/Q in entry = 5 In of MODEL 25 1 H ASN 16 H ASN 16 -10.794 8.043 -1.382 2 HA ASN 16 HA ASN 16 -9.748 10.185 0.228 3 HB2 ASN 16 HB2 ASN 16 -10.262 7.545 1.626 4 HB3 ASN 16 HB3 ASN 16 -9.539 8.982 2.318 5 HD21 ASN 16 HD21 ASN 16 -10.850 9.565 3.883 6 HD22 ASN 16 HD22 ASN 16 -12.564 9.788 3.757 No H/Q in entry = 6 In of MODEL 25 1 H PHE 17 H PHE 17 -7.871 8.371 1.618 2 HA PHE 17 HA PHE 17 -6.472 7.332 -0.750 3 HB2 PHE 17 HB2 PHE 17 -5.462 9.125 1.446 4 HB3 PHE 17 HB3 PHE 17 -4.360 8.148 0.481 5 HD1 PHE 17 HD1 PHE 17 -4.964 11.325 0.750 6 HD2 PHE 17 HD2 PHE 17 -5.693 8.286 -2.132 7 HE1 PHE 17 HE1 PHE 17 -4.980 13.024 -1.026 8 HE2 PHE 17 HE2 PHE 17 -5.706 9.981 -3.927 9 HZ PHE 17 HZ PHE 17 -5.348 12.357 -3.368 No H/Q in entry = 9 In of MODEL 25 1 H LEU 18 H LEU 18 -5.664 5.321 -0.579 2 HA LEU 18 HA LEU 18 -5.861 3.964 2.000 3 HB2 LEU 18 HB2 LEU 18 -6.666 2.637 0.200 4 HB3 LEU 18 HB3 LEU 18 -5.260 2.983 -0.786 5 HG LEU 18 HG LEU 18 -3.865 1.541 0.639 6 HD11 LEU 18 HD11 LEU 18 -6.397 1.069 2.216 7 HD12 LEU 18 HD12 LEU 18 -4.908 0.138 2.377 8 HD13 LEU 18 HD13 LEU 18 -4.923 1.851 2.792 9 HD21 LEU 18 HD21 LEU 18 -6.429 0.228 -0.257 10 HD22 LEU 18 HD22 LEU 18 -4.989 0.506 -1.238 11 HD23 LEU 18 HD23 LEU 18 -4.926 -0.614 0.121 No H/Q in entry = 11 In of MODEL 25 1 H ASN 19 H ASN 19 -4.231 3.679 3.320 2 HA ASN 19 HA ASN 19 -1.572 4.586 2.414 3 HB2 ASN 19 HB2 ASN 19 -1.859 6.026 4.157 4 HB3 ASN 19 HB3 ASN 19 -3.088 5.019 4.920 5 HD21 ASN 19 HD21 ASN 19 0.233 5.873 4.796 6 HD22 ASN 19 HD22 ASN 19 0.740 4.938 6.154 No H/Q in entry = 6 In of MODEL 25 1 H CYS 20 H CYS 20 -0.044 3.075 2.119 2 HA CYS 20 HA CYS 20 -0.143 0.658 3.800 3 HB2 CYS 20 HB2 CYS 20 -0.519 -0.025 1.553 4 HB3 CYS 20 HB3 CYS 20 0.681 1.102 0.907 No H/Q in entry = 4 In of MODEL 25 1 H TYR 21 H TYR 21 1.489 0.691 5.283 2 HA TYR 21 HA TYR 21 3.897 2.260 4.729 3 HB2 TYR 21 HB2 TYR 21 3.070 0.746 7.206 4 HB3 TYR 21 HB3 TYR 21 4.584 1.600 7.044 5 HD1 TYR 21 HD1 TYR 21 4.564 4.089 6.865 6 HD2 TYR 21 HD2 TYR 21 1.076 1.863 7.835 7 HE1 TYR 21 HE1 TYR 21 3.548 6.116 7.825 8 HE2 TYR 21 HE2 TYR 21 0.046 3.881 8.789 9 HH TYR 21 HH TYR 21 0.675 6.012 9.696 No H/Q in entry = 9 In of MODEL 25 1 H VAL 22 H VAL 22 5.728 1.393 4.017 2 HA VAL 22 HA VAL 22 6.142 -1.496 4.426 3 HB VAL 22 HB VAL 22 7.148 0.150 2.062 4 HG11 VAL 22 HG11 VAL 22 8.556 -1.774 2.724 5 HG12 VAL 22 HG12 VAL 22 7.167 -2.841 2.518 6 HG13 VAL 22 HG13 VAL 22 7.828 -1.974 1.127 7 HG21 VAL 22 HG21 VAL 22 4.859 -1.823 2.222 8 HG22 VAL 22 HG22 VAL 22 4.749 -0.095 1.880 9 HG23 VAL 22 HG23 VAL 22 5.529 -1.176 0.722 No H/Q in entry = 9 In of MODEL 25 1 H SER 23 H SER 23 7.675 -1.621 6.024 2 HA SER 23 HA SER 23 9.563 0.631 6.232 3 HB2 SER 23 HB2 SER 23 9.413 0.284 8.703 4 HB3 SER 23 HB3 SER 23 7.869 0.683 7.962 5 HG SER 23 HG SER 23 7.113 -1.165 8.601 No H/Q in entry = 5 In of MODEL 25 1 H GLY 24 H GLY 24 11.713 0.256 6.446 2 HA2 GLY 24 HA2 GLY 24 12.658 -2.411 7.269 3 HA3 GLY 24 HA3 GLY 24 13.615 -0.938 7.252 No H/Q in entry = 3 In of MODEL 25 1 H PHE 25 H PHE 25 12.005 -0.982 4.403 2 HA PHE 25 HA PHE 25 14.066 -2.600 3.044 3 HB2 PHE 25 HB2 PHE 25 11.332 -1.785 2.060 4 HB3 PHE 25 HB3 PHE 25 12.456 -2.853 1.233 5 HD1 PHE 25 HD1 PHE 25 10.220 -2.567 4.167 6 HD2 PHE 25 HD2 PHE 25 12.613 -5.177 1.792 7 HE1 PHE 25 HE1 PHE 25 9.207 -4.520 5.300 8 HE2 PHE 25 HE2 PHE 25 11.603 -7.135 2.920 9 HZ PHE 25 HZ PHE 25 9.886 -6.791 4.648 No H/Q in entry = 9 In of MODEL 25 1 H HIS 26 H HIS 26 15.261 -1.689 1.363 2 HA HIS 26 HA HIS 26 15.408 1.152 1.239 3 HB2 HIS 26 HB2 HIS 26 16.735 0.540 -0.995 4 HB3 HIS 26 HB3 HIS 26 17.446 0.392 0.587 5 HD2 HIS 26 HD2 HIS 26 15.208 -2.304 -1.226 6 HE1 HIS 26 HE1 HIS 26 19.040 -3.881 -0.367 7 HE2 HIS 26 HE2 HIS 26 16.832 -4.303 -1.533 No H/Q in entry = 7 In of MODEL 25 1 HA PRO 27 HA PRO 27 11.976 2.024 -1.417 2 HB2 PRO 27 HB2 PRO 27 13.641 4.445 -1.955 3 HB3 PRO 27 HB3 PRO 27 11.949 4.346 -1.452 4 HG2 PRO 27 HG2 PRO 27 13.849 5.060 0.281 5 HG3 PRO 27 HG3 PRO 27 12.499 4.009 0.785 6 HD2 PRO 27 HD2 PRO 27 15.346 3.304 0.177 7 HD3 PRO 27 HD3 PRO 27 14.250 2.635 1.408 No H/Q in entry = 7 In of MODEL 25 1 H SER 28 H SER 28 15.235 1.659 -2.421 2 HA SER 28 HA SER 28 14.562 2.144 -5.199 3 HB2 SER 28 HB2 SER 28 16.650 3.118 -4.446 4 HB3 SER 28 HB3 SER 28 17.232 1.545 -3.907 5 HG SER 28 HG SER 28 16.945 2.571 -6.500 No H/Q in entry = 5 In of MODEL 25 1 H ASP 29 H ASP 29 15.443 -0.683 -3.103 2 HA ASP 29 HA ASP 29 15.099 -2.293 -5.568 3 HB2 ASP 29 HB2 ASP 29 16.714 -2.890 -3.100 4 HB3 ASP 29 HB3 ASP 29 16.198 -4.161 -4.196 No H/Q in entry = 4 In of MODEL 25 1 H ILE 30 H ILE 30 12.769 -1.437 -4.024 2 HA ILE 30 HA ILE 30 11.840 -4.184 -3.493 3 HB ILE 30 HB ILE 30 10.627 -3.624 -1.630 4 HG12 ILE 30 HG12 ILE 30 10.693 -0.686 -2.386 5 HG13 ILE 30 HG13 ILE 30 9.352 -1.793 -2.676 6 HG21 ILE 30 HG21 ILE 30 12.984 -1.774 -1.540 7 HG22 ILE 30 HG22 ILE 30 11.983 -2.165 -0.141 8 HG23 ILE 30 HG23 ILE 30 12.889 -3.435 -0.959 9 HD11 ILE 30 HD11 ILE 30 9.196 -2.146 -0.227 10 HD12 ILE 30 HD12 ILE 30 10.414 -0.887 -0.022 11 HD13 ILE 30 HD13 ILE 30 8.860 -0.496 -0.750 No H/Q in entry = 11 In of MODEL 25 1 H GLU 31 H GLU 31 9.376 -4.326 -3.628 2 HA GLU 31 HA GLU 31 8.330 -2.541 -5.681 3 HB2 GLU 31 HB2 GLU 31 9.338 -5.097 -5.976 4 HB3 GLU 31 HB3 GLU 31 7.607 -5.275 -6.054 5 HG2 GLU 31 HG2 GLU 31 9.263 -3.390 -7.737 6 HG3 GLU 31 HG3 GLU 31 8.668 -4.956 -8.273 No H/Q in entry = 6 In of MODEL 25 1 H VAL 32 H VAL 32 6.444 -1.860 -5.061 2 HA VAL 32 HA VAL 32 4.690 -3.500 -3.369 3 HB VAL 32 HB VAL 32 5.170 -2.289 -1.524 4 HG11 VAL 32 HG11 VAL 32 7.247 -1.508 -2.637 5 HG12 VAL 32 HG12 VAL 32 6.368 -0.080 -3.185 6 HG13 VAL 32 HG13 VAL 32 6.595 -0.372 -1.459 7 HG21 VAL 32 HG21 VAL 32 3.036 -1.254 -2.097 8 HG22 VAL 32 HG22 VAL 32 4.097 -0.128 -1.249 9 HG23 VAL 32 HG23 VAL 32 3.883 0.007 -2.995 No H/Q in entry = 9 In of MODEL 25 1 H ASP 33 H ASP 33 2.525 -3.287 -3.755 2 HA ASP 33 HA ASP 33 1.632 -1.058 -5.451 3 HB2 ASP 33 HB2 ASP 33 0.954 -3.996 -5.965 4 HB3 ASP 33 HB3 ASP 33 0.206 -2.630 -6.795 No H/Q in entry = 4 In of MODEL 25 1 H LEU 34 H LEU 34 -0.727 -0.853 -5.438 2 HA LEU 34 HA LEU 34 -1.899 -1.771 -2.886 3 HB2 LEU 34 HB2 LEU 34 -2.229 0.755 -4.433 4 HB3 LEU 34 HB3 LEU 34 -3.624 0.160 -3.558 5 HG LEU 34 HG LEU 34 -2.220 0.161 -1.464 6 HD11 LEU 34 HD11 LEU 34 -0.011 0.109 -2.516 7 HD12 LEU 34 HD12 LEU 34 -0.280 1.734 -3.151 8 HD13 LEU 34 HD13 LEU 34 -0.185 1.469 -1.408 9 HD21 LEU 34 HD21 LEU 34 -3.796 1.949 -1.948 10 HD22 LEU 34 HD22 LEU 34 -2.376 2.553 -1.097 11 HD23 LEU 34 HD23 LEU 34 -2.544 2.821 -2.832 No H/Q in entry = 11 In of MODEL 25 1 H LEU 35 H LEU 35 -3.652 -3.061 -2.930 2 HA LEU 35 HA LEU 35 -4.649 -3.842 -5.597 3 HB2 LEU 35 HB2 LEU 35 -4.198 -5.662 -3.234 4 HB3 LEU 35 HB3 LEU 35 -4.764 -6.123 -4.820 5 HG LEU 35 HG LEU 35 -1.999 -5.397 -3.938 6 HD11 LEU 35 HD11 LEU 35 -3.338 -7.662 -5.404 7 HD12 LEU 35 HD12 LEU 35 -1.591 -7.483 -5.329 8 HD13 LEU 35 HD13 LEU 35 -2.519 -7.709 -3.844 9 HD21 LEU 35 HD21 LEU 35 -2.488 -4.029 -5.968 10 HD22 LEU 35 HD22 LEU 35 -1.239 -5.248 -6.209 11 HD23 LEU 35 HD23 LEU 35 -2.863 -5.519 -6.829 No H/Q in entry = 11 In of MODEL 25 1 H LYS 36 H LYS 36 -6.622 -5.121 -5.577 2 HA LYS 36 HA LYS 36 -8.442 -4.723 -3.301 3 HB2 LYS 36 HB2 LYS 36 -9.500 -5.221 -6.054 4 HB3 LYS 36 HB3 LYS 36 -10.247 -4.341 -4.703 5 HG2 LYS 36 HG2 LYS 36 -8.704 -2.475 -5.116 6 HG3 LYS 36 HG3 LYS 36 -7.929 -3.391 -6.396 7 HD2 LYS 36 HD2 LYS 36 -9.535 -1.636 -7.247 8 HD3 LYS 36 HD3 LYS 36 -9.800 -3.256 -7.861 9 HE2 LYS 36 HE2 LYS 36 -11.663 -3.359 -5.961 10 HE3 LYS 36 HE3 LYS 36 -11.568 -1.597 -6.053 11 HZ1 LYS 36 HZ1 LYS 36 -12.073 -3.398 -8.344 12 HZ2 LYS 36 HZ2 LYS 36 -13.245 -2.519 -7.502 13 HZ3 LYS 36 HZ3 LYS 36 -12.047 -1.703 -8.380 No H/Q in entry = 13 In of MODEL 25 1 H ASN 37 H ASN 37 -8.556 -6.739 -2.357 2 HA ASN 37 HA ASN 37 -8.449 -9.034 -2.165 3 HB2 ASN 37 HB2 ASN 37 -10.215 -9.112 -4.565 4 HB3 ASN 37 HB3 ASN 37 -10.386 -10.054 -3.119 5 HD21 ASN 37 HD21 ASN 37 -10.744 -6.881 -4.554 6 HD22 ASN 37 HD22 ASN 37 -11.959 -6.291 -3.482 No H/Q in entry = 6 In of MODEL 25 1 H GLY 38 H GLY 38 -6.220 -8.277 -3.415 2 HA2 GLY 38 HA2 GLY 38 -5.556 -10.536 -5.002 3 HA3 GLY 38 HA3 GLY 38 -4.488 -9.203 -4.626 No H/Q in entry = 3 In of MODEL 25 1 H GLU 39 H GLU 39 -6.458 -7.261 -5.892 2 HA GLU 39 HA GLU 39 -5.746 -7.871 -8.676 3 HB2 GLU 39 HB2 GLU 39 -8.188 -8.258 -8.259 4 HB3 GLU 39 HB3 GLU 39 -8.340 -6.567 -7.804 5 HG2 GLU 39 HG2 GLU 39 -9.103 -6.913 -10.088 6 HG3 GLU 39 HG3 GLU 39 -7.659 -5.892 -10.055 No H/Q in entry = 6 In of MODEL 25 1 H ARG 40 H ARG 40 -4.546 -6.344 -9.542 2 HA ARG 40 HA ARG 40 -3.600 -4.133 -8.135 3 HB2 ARG 40 HB2 ARG 40 -2.777 -5.452 -10.336 4 HB3 ARG 40 HB3 ARG 40 -3.532 -4.081 -11.131 5 HG2 ARG 40 HG2 ARG 40 -2.072 -2.553 -9.920 6 HG3 ARG 40 HG3 ARG 40 -1.332 -3.907 -9.085 7 HD2 ARG 40 HD2 ARG 40 0.201 -3.465 -10.775 8 HD3 ARG 40 HD3 ARG 40 -0.748 -4.767 -11.486 9 HE ARG 40 HE ARG 40 -2.065 -2.897 -12.595 10 HH11 ARG 40 HH11 ARG 40 1.329 -2.642 -11.743 11 HH12 ARG 40 HH12 ARG 40 1.697 -1.523 -13.031 12 HH21 ARG 40 HH21 ARG 40 -1.584 -1.445 -14.287 13 HH22 ARG 40 HH22 ARG 40 0.026 -0.817 -14.456 No H/Q in entry = 13 In of MODEL 25 1 H ILE 41 H ILE 41 -4.422 -2.228 -7.705 2 HA ILE 41 HA ILE 41 -6.906 -1.307 -8.715 3 HB ILE 41 HB ILE 41 -4.786 0.198 -7.193 4 HG12 ILE 41 HG12 ILE 41 -7.226 -1.291 -6.212 5 HG13 ILE 41 HG13 ILE 41 -5.568 -1.854 -6.045 6 HG21 ILE 41 HG21 ILE 41 -6.386 1.727 -8.236 7 HG22 ILE 41 HG22 ILE 41 -7.726 0.816 -7.546 8 HG23 ILE 41 HG23 ILE 41 -6.620 1.692 -6.489 9 HD11 ILE 41 HD11 ILE 41 -6.448 0.737 -4.844 10 HD12 ILE 41 HD12 ILE 41 -6.722 -0.813 -4.037 11 HD13 ILE 41 HD13 ILE 41 -5.079 -0.300 -4.422 No H/Q in entry = 11 In of MODEL 25 1 H GLU 42 H GLU 42 -4.074 0.770 -8.662 2 HA GLU 42 HA GLU 42 -2.681 0.708 -10.827 3 HB2 GLU 42 HB2 GLU 42 -5.361 1.683 -11.796 4 HB3 GLU 42 HB3 GLU 42 -3.891 2.265 -12.525 5 HG2 GLU 42 HG2 GLU 42 -3.553 0.372 -13.593 6 HG3 GLU 42 HG3 GLU 42 -4.195 -0.667 -12.341 No H/Q in entry = 6 In of MODEL 25 1 H LYS 43 H LYS 43 -4.964 3.020 -9.381 2 HA LYS 43 HA LYS 43 -3.521 5.316 -10.327 3 HB2 LYS 43 HB2 LYS 43 -5.610 5.301 -8.149 4 HB3 LYS 43 HB3 LYS 43 -5.185 6.619 -9.223 5 HG2 LYS 43 HG2 LYS 43 -6.756 4.132 -9.917 6 HG3 LYS 43 HG3 LYS 43 -7.332 5.796 -9.857 7 HD2 LYS 43 HD2 LYS 43 -5.226 4.799 -11.774 8 HD3 LYS 43 HD3 LYS 43 -6.940 4.950 -12.160 9 HE2 LYS 43 HE2 LYS 43 -5.253 7.252 -11.185 10 HE3 LYS 43 HE3 LYS 43 -5.496 6.884 -12.893 11 HZ1 LYS 43 HZ1 LYS 43 -7.832 7.214 -11.130 12 HZ2 LYS 43 HZ2 LYS 43 -7.025 8.583 -11.724 13 HZ3 LYS 43 HZ3 LYS 43 -7.700 7.465 -12.801 No H/Q in entry = 13 In of MODEL 25 1 H VAL 44 H VAL 44 -1.521 4.184 -9.130 2 HA VAL 44 HA VAL 44 -1.391 5.385 -6.456 3 HB VAL 44 HB VAL 44 -1.306 2.621 -6.975 4 HG11 VAL 44 HG11 VAL 44 1.023 2.815 -7.684 5 HG12 VAL 44 HG12 VAL 44 1.416 3.592 -6.150 6 HG13 VAL 44 HG13 VAL 44 0.870 1.914 -6.174 7 HG21 VAL 44 HG21 VAL 44 -0.484 4.189 -4.547 8 HG22 VAL 44 HG22 VAL 44 -2.107 3.628 -4.946 9 HG23 VAL 44 HG23 VAL 44 -0.838 2.463 -4.571 No H/Q in entry = 9 In of MODEL 25 1 H GLU 45 H GLU 45 0.266 6.713 -6.186 2 HA GLU 45 HA GLU 45 2.626 6.559 -7.879 3 HB2 GLU 45 HB2 GLU 45 0.534 8.684 -8.150 4 HB3 GLU 45 HB3 GLU 45 2.222 9.090 -8.430 5 HG2 GLU 45 HG2 GLU 45 0.728 6.904 -9.852 6 HG3 GLU 45 HG3 GLU 45 0.969 8.535 -10.482 No H/Q in entry = 6 In of MODEL 25 1 H HIS 46 H HIS 46 4.191 6.699 -6.331 2 HA HIS 46 HA HIS 46 4.506 9.318 -5.170 3 HB2 HIS 46 HB2 HIS 46 3.151 7.939 -3.494 4 HB3 HIS 46 HB3 HIS 46 4.597 6.966 -3.289 5 HD2 HIS 46 HD2 HIS 46 6.194 7.925 -1.237 6 HE1 HIS 46 HE1 HIS 46 4.816 11.922 -1.355 7 HE2 HIS 46 HE2 HIS 46 6.446 10.315 -0.278 No H/Q in entry = 7 In of MODEL 25 1 H SER 47 H SER 47 6.652 9.804 -4.825 2 HA SER 47 HA SER 47 8.574 7.598 -5.016 3 HB2 SER 47 HB2 SER 47 8.782 10.112 -6.686 4 HB3 SER 47 HB3 SER 47 9.899 8.747 -6.694 5 HG SER 47 HG SER 47 7.549 7.713 -7.153 No H/Q in entry = 5 In of MODEL 25 1 H ASP 48 H ASP 48 9.946 7.735 -3.353 2 HA ASP 48 HA ASP 48 11.198 10.328 -2.902 3 HB2 ASP 48 HB2 ASP 48 11.087 10.262 -0.557 4 HB3 ASP 48 HB3 ASP 48 9.464 9.801 -1.061 No H/Q in entry = 4 In of MODEL 25 1 H LEU 49 H LEU 49 13.313 10.132 -2.040 2 HA LEU 49 HA LEU 49 15.412 9.258 -1.887 3 HB2 LEU 49 HB2 LEU 49 15.106 7.357 -0.662 4 HB3 LEU 49 HB3 LEU 49 13.796 6.782 -1.690 5 HG LEU 49 HG LEU 49 16.537 6.706 -2.872 6 HD11 LEU 49 HD11 LEU 49 15.678 4.753 -0.724 7 HD12 LEU 49 HD12 LEU 49 17.020 4.516 -1.837 8 HD13 LEU 49 HD13 LEU 49 17.077 5.835 -0.674 9 HD21 LEU 49 HD21 LEU 49 14.193 4.793 -2.880 10 HD22 LEU 49 HD22 LEU 49 14.614 5.948 -4.152 11 HD23 LEU 49 HD23 LEU 49 15.689 4.595 -3.802 No H/Q in entry = 11 In of MODEL 25 1 H SER 50 H SER 50 16.792 9.534 -3.492 2 HA SER 50 HA SER 50 16.043 8.542 -6.160 3 HB2 SER 50 HB2 SER 50 18.157 10.614 -5.532 4 HB3 SER 50 HB3 SER 50 17.392 10.284 -7.089 5 HG SER 50 HG SER 50 15.364 10.922 -5.949 No H/Q in entry = 5 In of MODEL 25 1 H PHE 51 H PHE 51 18.985 9.118 -4.231 2 HA PHE 51 HA PHE 51 20.420 7.001 -5.490 3 HB2 PHE 51 HB2 PHE 51 20.984 8.482 -2.914 4 HB3 PHE 51 HB3 PHE 51 22.109 7.391 -3.718 5 HD1 PHE 51 HD1 PHE 51 20.858 10.730 -3.519 6 HD2 PHE 51 HD2 PHE 51 22.862 7.974 -6.067 7 HE1 PHE 51 HE1 PHE 51 21.678 12.600 -4.890 8 HE2 PHE 51 HE2 PHE 51 23.688 9.840 -7.442 9 HZ PHE 51 HZ PHE 51 23.095 12.155 -6.854 No H/Q in entry = 9 In of MODEL 25 1 H SER 52 H SER 52 20.737 4.938 -4.894 2 HA SER 52 HA SER 52 18.760 3.699 -3.285 3 HB2 SER 52 HB2 SER 52 20.152 1.623 -3.800 4 HB3 SER 52 HB3 SER 52 19.522 2.514 -5.185 5 HG SER 52 HG SER 52 22.040 3.260 -4.246 No H/Q in entry = 5 In of MODEL 25 1 H LYS 53 H LYS 53 19.328 4.959 -1.283 2 HA LYS 53 HA LYS 53 21.485 3.697 0.251 3 HB2 LYS 53 HB2 LYS 53 19.582 5.874 1.129 4 HB3 LYS 53 HB3 LYS 53 21.059 5.376 1.935 5 HG2 LYS 53 HG2 LYS 53 22.372 6.216 0.056 6 HG3 LYS 53 HG3 LYS 53 20.885 6.715 -0.756 7 HD2 LYS 53 HD2 LYS 53 20.377 8.145 1.232 8 HD3 LYS 53 HD3 LYS 53 21.979 7.750 1.858 9 HE2 LYS 53 HE2 LYS 53 22.972 8.691 -0.195 10 HE3 LYS 53 HE3 LYS 53 21.358 9.153 -0.737 11 HZ1 LYS 53 HZ1 LYS 53 21.161 10.522 1.290 12 HZ2 LYS 53 HZ2 LYS 53 22.769 10.148 1.683 13 HZ3 LYS 53 HZ3 LYS 53 22.424 11.026 0.275 No H/Q in entry = 13 In of MODEL 25 1 H ASP 54 H ASP 54 20.966 2.758 2.392 2 HA ASP 54 HA ASP 54 18.386 1.377 2.273 3 HB2 ASP 54 HB2 ASP 54 19.378 -0.272 3.734 4 HB3 ASP 54 HB3 ASP 54 20.514 0.046 2.426 No H/Q in entry = 4 In of MODEL 25 1 H TRP 55 H TRP 55 19.055 4.173 3.302 2 HA TRP 55 HA TRP 55 18.671 3.982 6.157 3 HB2 TRP 55 HB2 TRP 55 19.585 6.035 6.211 4 HB3 TRP 55 HB3 TRP 55 19.960 5.768 4.519 5 HD1 TRP 55 HD1 TRP 55 18.188 8.087 6.808 6 HE1 TRP 55 HE1 TRP 55 16.881 9.845 5.480 7 HE3 TRP 55 HE3 TRP 55 18.440 5.974 2.088 8 HZ2 TRP 55 HZ2 TRP 55 16.073 10.313 2.820 9 HZ3 TRP 55 HZ3 TRP 55 17.364 7.173 0.237 10 HH2 TRP 55 HH2 TRP 55 16.209 9.290 0.588 No H/Q in entry = 10 In of MODEL 25 1 H SER 56 H SER 56 16.644 3.215 4.054 2 HA SER 56 HA SER 56 14.502 4.740 3.641 3 HB2 SER 56 HB2 SER 56 14.730 2.381 2.959 4 HB3 SER 56 HB3 SER 56 14.360 1.882 4.610 5 HG SER 56 HG SER 56 12.578 1.959 2.990 No H/Q in entry = 5 In of MODEL 25 1 H PHE 57 H PHE 57 13.049 5.903 4.920 2 HA PHE 57 HA PHE 57 13.089 5.341 7.787 3 HB2 PHE 57 HB2 PHE 57 12.202 7.766 7.873 4 HB3 PHE 57 HB3 PHE 57 13.888 7.537 7.426 5 HD1 PHE 57 HD1 PHE 57 10.756 8.976 6.474 6 HD2 PHE 57 HD2 PHE 57 14.464 7.558 4.930 7 HE1 PHE 57 HE1 PHE 57 10.374 10.238 4.395 8 HE2 PHE 57 HE2 PHE 57 14.083 8.817 2.851 9 HZ PHE 57 HZ PHE 57 12.039 10.150 2.581 No H/Q in entry = 9 In of MODEL 25 1 H TYR 58 H TYR 58 10.834 6.825 5.469 2 HA TYR 58 HA TYR 58 8.734 5.028 6.401 3 HB2 TYR 58 HB2 TYR 58 8.803 8.012 6.590 4 HB3 TYR 58 HB3 TYR 58 7.262 7.271 6.178 5 HD1 TYR 58 HD1 TYR 58 6.132 5.759 7.778 6 HD2 TYR 58 HD2 TYR 58 9.733 7.785 8.831 7 HE1 TYR 58 HE1 TYR 58 5.717 5.247 10.157 8 HE2 TYR 58 HE2 TYR 58 9.322 7.277 11.218 9 HH TYR 58 HH TYR 58 6.921 5.043 12.218 No H/Q in entry = 9 In of MODEL 25 1 H LEU 59 H LEU 59 8.206 3.929 4.649 2 HA LEU 59 HA LEU 59 8.078 5.250 2.009 3 HB2 LEU 59 HB2 LEU 59 8.481 2.466 2.983 4 HB3 LEU 59 HB3 LEU 59 7.624 2.667 1.471 5 HG LEU 59 HG LEU 59 10.372 3.823 1.952 6 HD11 LEU 59 HD11 LEU 59 10.358 1.358 2.231 7 HD12 LEU 59 HD12 LEU 59 9.668 1.212 0.617 8 HD13 LEU 59 HD13 LEU 59 11.280 1.894 0.829 9 HD21 LEU 59 HD21 LEU 59 8.508 3.553 -0.362 10 HD22 LEU 59 HD22 LEU 59 9.535 4.915 0.092 11 HD23 LEU 59 HD23 LEU 59 10.241 3.484 -0.663 No H/Q in entry = 11 In of MODEL 25 1 H LEU 60 H LEU 60 6.123 5.853 1.332 2 HA LEU 60 HA LEU 60 3.807 4.197 1.945 3 HB2 LEU 60 HB2 LEU 60 3.747 5.830 3.680 4 HB3 LEU 60 HB3 LEU 60 4.155 7.119 2.568 5 HG LEU 60 HG LEU 60 1.944 6.896 1.502 6 HD11 LEU 60 HD11 LEU 60 1.428 4.890 3.688 7 HD12 LEU 60 HD12 LEU 60 0.222 5.540 2.577 8 HD13 LEU 60 HD13 LEU 60 1.543 4.547 1.961 9 HD21 LEU 60 HD21 LEU 60 1.891 7.297 4.491 10 HD22 LEU 60 HD22 LEU 60 2.250 8.521 3.273 11 HD23 LEU 60 HD23 LEU 60 0.636 7.817 3.365 No H/Q in entry = 11 In of MODEL 25 1 H TYR 61 H TYR 61 2.174 4.354 0.428 2 HA TYR 61 HA TYR 61 2.599 6.152 -1.851 3 HB2 TYR 61 HB2 TYR 61 1.886 3.196 -1.881 4 HB3 TYR 61 HB3 TYR 61 1.658 4.246 -3.286 5 HD1 TYR 61 HD1 TYR 61 3.482 4.822 -4.702 6 HD2 TYR 61 HD2 TYR 61 4.248 2.838 -1.015 7 HE1 TYR 61 HE1 TYR 61 5.810 4.453 -5.398 8 HE2 TYR 61 HE2 TYR 61 6.595 2.476 -1.704 9 HH TYR 61 HH TYR 61 7.992 4.041 -4.366 No H/Q in entry = 9 In of MODEL 25 1 H TYR 62 H TYR 62 0.489 6.549 -3.068 2 HA TYR 62 HA TYR 62 -1.805 6.036 -1.345 3 HB2 TYR 62 HB2 TYR 62 -2.609 8.437 -1.931 4 HB3 TYR 62 HB3 TYR 62 -1.511 8.167 -0.593 5 HD1 TYR 62 HD1 TYR 62 0.344 9.510 -0.391 6 HD2 TYR 62 HD2 TYR 62 -1.418 9.082 -4.251 7 HE1 TYR 62 HE1 TYR 62 1.862 11.231 -1.271 8 HE2 TYR 62 HE2 TYR 62 0.100 10.803 -5.134 9 HH TYR 62 HH TYR 62 2.837 11.831 -3.524 No H/Q in entry = 9 In of MODEL 25 1 H THR 63 H THR 63 -3.728 5.691 -2.309 2 HA THR 63 HA THR 63 -4.005 6.187 -5.181 3 HB THR 63 HB THR 63 -3.344 3.723 -4.647 4 HG1 THR 63 HG1 THR 63 -4.411 4.665 -6.607 5 HG21 THR 63 HG21 THR 63 -5.001 3.432 -2.799 6 HG22 THR 63 HG22 THR 63 -6.281 3.557 -4.007 7 HG23 THR 63 HG23 THR 63 -5.129 2.227 -4.077 No H/Q in entry = 7 In of MODEL 25 1 H GLU 64 H GLU 64 -6.012 6.910 -5.731 2 HA GLU 64 HA GLU 64 -7.852 7.770 -3.813 3 HB2 GLU 64 HB2 GLU 64 -7.664 8.760 -6.097 4 HB3 GLU 64 HB3 GLU 64 -8.281 7.265 -6.779 5 HG2 GLU 64 HG2 GLU 64 -10.432 7.645 -5.675 6 HG3 GLU 64 HG3 GLU 64 -9.784 9.105 -4.920 No H/Q in entry = 6 In of MODEL 25 1 H PHE 65 H PHE 65 -9.476 6.680 -2.740 2 HA PHE 65 HA PHE 65 -10.423 4.189 -3.975 3 HB2 PHE 65 HB2 PHE 65 -10.460 3.042 -1.905 4 HB3 PHE 65 HB3 PHE 65 -8.904 3.818 -2.027 5 HD1 PHE 65 HD1 PHE 65 -8.098 4.299 0.036 6 HD2 PHE 65 HD2 PHE 65 -12.211 5.022 -0.750 7 HE1 PHE 65 HE1 PHE 65 -8.381 5.203 2.316 8 HE2 PHE 65 HE2 PHE 65 -12.487 5.935 1.519 9 HZ PHE 65 HZ PHE 65 -10.585 6.017 3.063 No H/Q in entry = 9 In of MODEL 25 1 H THR 66 H THR 66 -12.584 3.611 -3.622 2 HA THR 66 HA THR 66 -14.156 5.338 -1.832 3 HB THR 66 HB THR 66 -15.094 4.331 -4.542 4 HG1 THR 66 HG1 THR 66 -13.759 6.607 -3.731 5 HG21 THR 66 HG21 THR 66 -16.395 6.102 -2.457 6 HG22 THR 66 HG22 THR 66 -16.987 5.910 -4.111 7 HG23 THR 66 HG23 THR 66 -16.948 4.524 -3.024 No H/Q in entry = 7 In of MODEL 25 1 HA PRO 67 HA PRO 67 -14.598 1.056 -0.506 2 HB2 PRO 67 HB2 PRO 67 -15.907 1.732 1.897 3 HB3 PRO 67 HB3 PRO 67 -14.198 1.364 1.682 4 HG2 PRO 67 HG2 PRO 67 -15.363 3.891 2.306 5 HG3 PRO 67 HG3 PRO 67 -13.656 3.515 2.031 6 HD2 PRO 67 HD2 PRO 67 -15.546 4.873 0.301 7 HD3 PRO 67 HD3 PRO 67 -13.784 4.744 0.151 No H/Q in entry = 7 In of MODEL 25 1 H THR 68 H THR 68 -16.024 -0.383 -0.636 2 HA THR 68 HA THR 68 -18.882 0.237 -0.679 3 HB THR 68 HB THR 68 -19.140 -1.325 -2.589 4 HG1 THR 68 HG1 THR 68 -16.950 -1.642 -3.729 5 HG21 THR 68 HG21 THR 68 -17.217 0.938 -3.147 6 HG22 THR 68 HG22 THR 68 -18.221 0.121 -4.347 7 HG23 THR 68 HG23 THR 68 -18.975 1.070 -3.064 No H/Q in entry = 7 In of MODEL 25 1 H GLU 69 H GLU 69 -20.189 -1.578 -0.073 2 HA GLU 69 HA GLU 69 -19.159 -3.113 2.026 3 HB2 GLU 69 HB2 GLU 69 -21.465 -2.650 2.038 4 HB3 GLU 69 HB3 GLU 69 -21.715 -3.257 0.409 5 HG2 GLU 69 HG2 GLU 69 -22.676 -4.808 1.895 6 HG3 GLU 69 HG3 GLU 69 -21.193 -5.529 1.268 No H/Q in entry = 6 In of MODEL 25 1 H LYS 70 H LYS 70 -18.509 -3.602 -1.202 2 HA LYS 70 HA LYS 70 -18.238 -6.491 -0.816 3 HB2 LYS 70 HB2 LYS 70 -18.590 -4.921 -3.353 4 HB3 LYS 70 HB3 LYS 70 -18.217 -6.636 -3.315 5 HG2 LYS 70 HG2 LYS 70 -20.662 -5.501 -1.966 6 HG3 LYS 70 HG3 LYS 70 -20.648 -5.983 -3.659 7 HD2 LYS 70 HD2 LYS 70 -21.529 -7.811 -2.422 8 HD3 LYS 70 HD3 LYS 70 -19.905 -8.264 -2.927 9 HE2 LYS 70 HE2 LYS 70 -20.223 -7.012 -0.250 10 HE3 LYS 70 HE3 LYS 70 -20.808 -8.662 -0.451 11 HZ1 LYS 70 HZ1 LYS 70 -18.052 -7.757 -1.085 12 HZ2 LYS 70 HZ2 LYS 70 -18.497 -8.556 0.335 13 HZ3 LYS 70 HZ3 LYS 70 -18.620 -9.346 -1.161 No H/Q in entry = 13 In of MODEL 25 1 H ASP 71 H ASP 71 -16.213 -3.685 -1.428 2 HA ASP 71 HA ASP 71 -14.224 -5.457 -2.631 3 HB2 ASP 71 HB2 ASP 71 -14.845 -3.408 -3.880 4 HB3 ASP 71 HB3 ASP 71 -14.192 -2.432 -2.561 No H/Q in entry = 4 In of MODEL 25 1 H GLU 72 H GLU 72 -12.355 -5.918 -1.760 2 HA GLU 72 HA GLU 72 -11.660 -4.971 0.940 3 HB2 GLU 72 HB2 GLU 72 -12.048 -7.324 0.753 4 HB3 GLU 72 HB3 GLU 72 -11.079 -7.457 -0.690 5 HG2 GLU 72 HG2 GLU 72 -9.855 -6.718 1.922 6 HG3 GLU 72 HG3 GLU 72 -10.210 -8.393 1.519 No H/Q in entry = 6 In of MODEL 25 1 H TYR 73 H TYR 73 -9.629 -4.016 1.284 2 HA TYR 73 HA TYR 73 -8.104 -3.399 -1.170 3 HB2 TYR 73 HB2 TYR 73 -8.576 -1.686 1.283 4 HB3 TYR 73 HB3 TYR 73 -7.381 -1.305 0.055 5 HD1 TYR 73 HD1 TYR 73 -11.028 -1.880 0.539 6 HD2 TYR 73 HD2 TYR 73 -7.981 -0.093 -1.840 7 HE1 TYR 73 HE1 TYR 73 -12.747 -0.692 -0.771 8 HE2 TYR 73 HE2 TYR 73 -9.699 1.089 -3.155 9 HH TYR 73 HH TYR 73 -12.124 0.786 -3.710 No H/Q in entry = 9 In of MODEL 25 1 H ALA 74 H ALA 74 -6.014 -3.943 -1.224 2 HA ALA 74 HA ALA 74 -4.690 -4.751 1.279 3 HB1 ALA 74 HB1 ALA 74 -5.572 -6.740 0.190 4 HB2 ALA 74 HB2 ALA 74 -3.810 -6.725 0.125 5 HB3 ALA 74 HB3 ALA 74 -4.749 -6.300 -1.310 No H/Q in entry = 5 In of MODEL 25 1 H CYS 75 H CYS 75 -2.313 -4.796 1.145 2 HA CYS 75 HA CYS 75 -1.251 -3.383 -1.223 3 HB2 CYS 75 HB2 CYS 75 -1.181 -1.843 0.616 4 HB3 CYS 75 HB3 CYS 75 -0.443 -3.045 1.660 No H/Q in entry = 4 In of MODEL 25 1 H ARG 76 H ARG 76 0.343 -4.402 -2.284 2 HA ARG 76 HA ARG 76 1.341 -6.959 -1.212 3 HB2 ARG 76 HB2 ARG 76 0.026 -6.707 -3.408 4 HB3 ARG 76 HB3 ARG 76 1.487 -5.955 -4.040 5 HG2 ARG 76 HG2 ARG 76 2.699 -8.024 -3.797 6 HG3 ARG 76 HG3 ARG 76 1.365 -8.767 -2.911 7 HD2 ARG 76 HD2 ARG 76 1.400 -9.529 -5.280 8 HD3 ARG 76 HD3 ARG 76 -0.060 -8.592 -4.915 9 HE ARG 76 HE ARG 76 1.915 -6.818 -5.833 10 HH11 ARG 76 HH11 ARG 76 -0.065 -9.429 -7.111 11 HH12 ARG 76 HH12 ARG 76 0.027 -8.836 -8.744 12 HH21 ARG 76 HH21 ARG 76 1.988 -6.041 -7.961 13 HH22 ARG 76 HH22 ARG 76 1.196 -6.932 -9.226 No H/Q in entry = 13 In of MODEL 25 1 H VAL 77 H VAL 77 3.527 -7.147 -0.744 2 HA VAL 77 HA VAL 77 5.348 -5.312 -2.161 3 HB VAL 77 HB VAL 77 4.860 -4.631 0.302 4 HG11 VAL 77 HG11 VAL 77 5.200 -6.813 1.318 5 HG12 VAL 77 HG12 VAL 77 6.867 -6.836 0.739 6 HG13 VAL 77 HG13 VAL 77 6.364 -5.643 1.936 7 HG21 VAL 77 HG21 VAL 77 6.534 -3.594 -1.120 8 HG22 VAL 77 HG22 VAL 77 7.140 -3.781 0.528 9 HG23 VAL 77 HG23 VAL 77 7.672 -4.888 -0.739 No H/Q in entry = 9 In of MODEL 25 1 H ASN 78 H ASN 78 7.189 -6.058 -2.817 2 HA ASN 78 HA ASN 78 8.065 -8.748 -1.977 3 HB2 ASN 78 HB2 ASN 78 6.805 -8.924 -4.115 4 HB3 ASN 78 HB3 ASN 78 7.952 -7.817 -4.857 5 HD21 ASN 78 HD21 ASN 78 8.596 -9.307 -6.379 6 HD22 ASN 78 HD22 ASN 78 9.584 -10.676 -5.981 No H/Q in entry = 6 In of MODEL 25 1 H HIS 79 H HIS 79 10.180 -9.109 -1.923 2 HA HIS 79 HA HIS 79 12.020 -6.997 -2.775 3 HB2 HIS 79 HB2 HIS 79 11.520 -6.776 -0.311 4 HB3 HIS 79 HB3 HIS 79 12.151 -8.397 -0.086 5 HD2 HIS 79 HD2 HIS 79 13.351 -4.797 -0.253 6 HE1 HIS 79 HE1 HIS 79 16.764 -7.288 -0.223 7 HE2 HIS 79 HE2 HIS 79 15.882 -4.964 0.256 No H/Q in entry = 7 In of MODEL 25 1 H VAL 80 H VAL 80 14.205 -7.853 -3.103 2 HA VAL 80 HA VAL 80 14.326 -10.233 -4.491 3 HB VAL 80 HB VAL 80 16.622 -8.940 -3.010 4 HG11 VAL 80 HG11 VAL 80 17.150 -11.226 -3.688 5 HG12 VAL 80 HG12 VAL 80 16.664 -10.855 -5.344 6 HG13 VAL 80 HG13 VAL 80 18.068 -10.053 -4.635 7 HG21 VAL 80 HG21 VAL 80 15.618 -8.550 -5.825 8 HG22 VAL 80 HG22 VAL 80 15.545 -7.382 -4.507 9 HG23 VAL 80 HG23 VAL 80 17.104 -7.863 -5.168 No H/Q in entry = 9 In of MODEL 25 1 H THR 81 H THR 81 14.626 -9.770 -1.031 2 HA THR 81 HA THR 81 15.902 -12.293 -0.523 3 HB THR 81 HB THR 81 16.205 -10.632 1.164 4 HG1 THR 81 HG1 THR 81 15.218 -13.029 1.715 5 HG21 THR 81 HG21 THR 81 13.194 -10.573 1.459 6 HG22 THR 81 HG22 THR 81 14.333 -9.760 2.532 7 HG23 THR 81 HG23 THR 81 14.215 -9.276 0.841 No H/Q in entry = 7 In of MODEL 25 1 H LEU 82 H LEU 82 12.499 -11.226 -0.072 2 HA LEU 82 HA LEU 82 11.487 -13.739 0.625 3 HB2 LEU 82 HB2 LEU 82 9.927 -11.767 -1.034 4 HB3 LEU 82 HB3 LEU 82 9.324 -12.916 0.146 5 HG LEU 82 HG LEU 82 10.988 -10.519 0.874 6 HD11 LEU 82 HD11 LEU 82 8.010 -10.889 0.963 7 HD12 LEU 82 HD12 LEU 82 8.906 -9.519 1.622 8 HD13 LEU 82 HD13 LEU 82 8.904 -9.817 -0.114 9 HD21 LEU 82 HD21 LEU 82 11.086 -12.366 2.481 10 HD22 LEU 82 HD22 LEU 82 10.198 -10.988 3.135 11 HD23 LEU 82 HD23 LEU 82 9.322 -12.400 2.541 No H/Q in entry = 11 In of MODEL 25 1 H SER 83 H SER 83 10.299 -15.283 -0.587 2 HA SER 83 HA SER 83 10.951 -15.376 -3.465 3 HB2 SER 83 HB2 SER 83 11.776 -17.285 -2.081 4 HB3 SER 83 HB3 SER 83 10.109 -17.642 -1.629 5 HG SER 83 HG SER 83 10.022 -17.540 -4.197 No H/Q in entry = 5 In of MODEL 25 1 H GLN 84 H GLN 84 8.637 -14.577 -1.329 2 HA GLN 84 HA GLN 84 6.529 -14.713 -3.303 3 HB2 GLN 84 HB2 GLN 84 4.897 -15.712 -1.760 4 HB3 GLN 84 HB3 GLN 84 6.244 -16.803 -2.043 5 HG2 GLN 84 HG2 GLN 84 5.967 -15.049 0.395 6 HG3 GLN 84 HG3 GLN 84 5.425 -16.722 0.315 7 HE21 GLN 84 HE21 GLN 84 6.958 -18.375 0.239 8 HE22 GLN 84 HE22 GLN 84 8.618 -18.105 0.679 No H/Q in entry = 8 In of MODEL 25 1 HA PRO 85 HA PRO 85 6.056 -10.639 -1.330 2 HB2 PRO 85 HB2 PRO 85 3.904 -9.841 -2.825 3 HB3 PRO 85 HB3 PRO 85 5.606 -9.621 -3.296 4 HG2 PRO 85 HG2 PRO 85 3.616 -11.657 -4.208 5 HG3 PRO 85 HG3 PRO 85 4.925 -10.873 -5.120 6 HD2 PRO 85 HD2 PRO 85 5.087 -13.467 -4.149 7 HD3 PRO 85 HD3 PRO 85 6.522 -12.416 -4.408 No H/Q in entry = 7 In of MODEL 25 1 H LYS 86 H LYS 86 4.445 -9.621 -0.073 2 HA LYS 86 HA LYS 86 2.456 -11.556 0.894 3 HB2 LYS 86 HB2 LYS 86 3.501 -9.169 2.410 4 HB3 LYS 86 HB3 LYS 86 2.549 -10.502 3.041 5 HG2 LYS 86 HG2 LYS 86 5.424 -10.589 2.127 6 HG3 LYS 86 HG3 LYS 86 4.840 -10.685 3.782 7 HD2 LYS 86 HD2 LYS 86 3.536 -12.743 2.356 8 HD3 LYS 86 HD3 LYS 86 5.232 -12.783 1.870 9 HE2 LYS 86 HE2 LYS 86 5.856 -12.738 4.289 10 HE3 LYS 86 HE3 LYS 86 4.146 -12.897 4.686 11 HZ1 LYS 86 HZ1 LYS 86 4.296 -14.959 3.148 12 HZ2 LYS 86 HZ2 LYS 86 5.963 -14.860 3.462 13 HZ3 LYS 86 HZ3 LYS 86 4.867 -15.060 4.743 No H/Q in entry = 13 In of MODEL 25 1 H ILE 87 H ILE 87 0.411 -10.908 1.317 2 HA ILE 87 HA ILE 87 -0.349 -8.214 0.380 3 HB ILE 87 HB ILE 87 -1.678 -10.785 -0.092 4 HG12 ILE 87 HG12 ILE 87 -1.151 -9.597 -2.029 5 HG13 ILE 87 HG13 ILE 87 -2.860 -9.196 -1.809 6 HG21 ILE 87 HG21 ILE 87 -3.307 -8.462 0.898 7 HG22 ILE 87 HG22 ILE 87 -3.971 -9.817 -0.019 8 HG23 ILE 87 HG23 ILE 87 -3.247 -10.093 1.567 9 HD11 ILE 87 HD11 ILE 87 -0.573 -7.467 -0.934 10 HD12 ILE 87 HD12 ILE 87 -1.524 -7.256 -2.401 11 HD13 ILE 87 HD13 ILE 87 -2.293 -7.092 -0.828 No H/Q in entry = 11 In of MODEL 25 1 H VAL 88 H VAL 88 -1.168 -6.831 1.759 2 HA VAL 88 HA VAL 88 -2.035 -7.823 4.389 3 HB VAL 88 HB VAL 88 -0.029 -6.494 4.614 4 HG11 VAL 88 HG11 VAL 88 -1.500 -4.298 3.199 5 HG12 VAL 88 HG12 VAL 88 0.071 -4.139 3.985 6 HG13 VAL 88 HG13 VAL 88 -0.109 -5.195 2.581 7 HG21 VAL 88 HG21 VAL 88 -2.511 -5.064 5.516 8 HG22 VAL 88 HG22 VAL 88 -1.577 -6.260 6.415 9 HG23 VAL 88 HG23 VAL 88 -0.889 -4.667 6.085 No H/Q in entry = 9 In of MODEL 25 1 H LYS 89 H LYS 89 -4.142 -7.476 4.814 2 HA LYS 89 HA LYS 89 -5.529 -5.714 2.925 3 HB2 LYS 89 HB2 LYS 89 -6.704 -8.024 4.473 4 HB3 LYS 89 HB3 LYS 89 -7.475 -7.096 3.190 5 HG2 LYS 89 HG2 LYS 89 -6.212 -8.089 1.523 6 HG3 LYS 89 HG3 LYS 89 -4.919 -8.511 2.646 7 HD2 LYS 89 HD2 LYS 89 -7.643 -9.742 2.814 8 HD3 LYS 89 HD3 LYS 89 -6.351 -10.426 1.821 9 HE2 LYS 89 HE2 LYS 89 -6.002 -9.787 4.726 10 HE3 LYS 89 HE3 LYS 89 -6.614 -11.349 4.181 11 HZ1 LYS 89 HZ1 LYS 89 -4.544 -11.569 2.850 12 HZ2 LYS 89 HZ2 LYS 89 -3.960 -10.157 3.583 13 HZ3 LYS 89 HZ3 LYS 89 -4.274 -11.530 4.523 No H/Q in entry = 13 In of MODEL 25 1 H TRP 90 H TRP 90 -7.110 -4.335 3.670 2 HA TRP 90 HA TRP 90 -6.562 -3.374 6.341 3 HB2 TRP 90 HB2 TRP 90 -6.680 -1.758 4.488 4 HB3 TRP 90 HB3 TRP 90 -8.335 -2.261 4.156 5 HD1 TRP 90 HD1 TRP 90 -6.768 -1.115 7.559 6 HE1 TRP 90 HE1 TRP 90 -8.179 0.782 8.460 7 HE3 TRP 90 HE3 TRP 90 -10.056 -0.625 3.629 8 HZ2 TRP 90 HZ2 TRP 90 -10.455 2.279 7.682 9 HZ3 TRP 90 HZ3 TRP 90 -11.810 1.076 3.791 10 HH2 TRP 90 HH2 TRP 90 -12.014 2.513 5.754 No H/Q in entry = 10 In of MODEL 25 1 H ASP 91 H ASP 91 -7.771 -3.668 8.086 2 HA ASP 91 HA ASP 91 -9.849 -5.626 8.045 3 HB2 ASP 91 HB2 ASP 91 -8.822 -3.836 10.256 4 HB3 ASP 91 HB3 ASP 91 -10.049 -5.075 10.491 No H/Q in entry = 4 In of MODEL 25 1 H ARG 92 H ARG 92 -11.727 -5.067 7.102 2 HA ARG 92 HA ARG 92 -13.607 -3.523 8.403 3 HB2 ARG 92 HB2 ARG 92 -13.683 -1.420 7.385 4 HB3 ARG 92 HB3 ARG 92 -11.952 -1.714 7.458 5 HG2 ARG 92 HG2 ARG 92 -12.146 -0.945 5.313 6 HG3 ARG 92 HG3 ARG 92 -12.255 -2.686 5.042 7 HD2 ARG 92 HD2 ARG 92 -14.723 -2.477 5.004 8 HD3 ARG 92 HD3 ARG 92 -14.563 -0.721 5.159 9 HE ARG 92 HE ARG 92 -13.068 -1.242 2.999 10 HH11 ARG 92 HH11 ARG 92 -16.292 -2.238 3.911 11 HH12 ARG 92 HH12 ARG 92 -16.858 -2.352 2.277 12 HH21 ARG 92 HH21 ARG 92 -13.829 -1.362 0.833 13 HH22 ARG 92 HH22 ARG 92 -15.458 -1.883 0.538 No H/Q in entry = 13 In of MODEL 25 1 H ASP 93 H ASP 93 -12.554 -5.475 5.972 2 HA ASP 93 HA ASP 93 -15.189 -6.045 4.995 3 HB2 ASP 93 HB2 ASP 93 -14.497 -4.111 3.581 4 HB3 ASP 93 HB3 ASP 93 -13.114 -5.054 3.022 No H/Q in entry = 4 In of MODEL 25 1 HA MET 94 HA MET 94 -11.822 -9.130 3.873 2 HB2 MET 94 HB2 MET 94 -9.659 -9.618 5.053 3 HB3 MET 94 HB3 MET 94 -9.717 -8.025 4.301 4 HG2 MET 94 HG2 MET 94 -10.069 -6.946 6.435 5 HG3 MET 94 HG3 MET 94 -10.258 -8.516 7.227 6 HE1 MET 94 HE1 MET 94 -8.035 -10.318 6.107 7 HE2 MET 94 HE2 MET 94 -6.681 -9.985 7.186 8 HE3 MET 94 HE3 MET 94 -8.313 -10.129 7.838 No H/Q in entry = 8 In of MODEL 26 1 HA MET 1 HA MET 1 4.068 -8.754 6.303 2 HB2 MET 1 HB2 MET 1 4.078 -9.842 8.488 3 HB3 MET 1 HB3 MET 1 4.519 -8.328 9.264 4 HG2 MET 1 HG2 MET 1 2.382 -7.358 8.609 5 HG3 MET 1 HG3 MET 1 1.941 -8.863 7.804 6 HE1 MET 1 HE1 MET 1 -0.342 -8.804 9.213 7 HE2 MET 1 HE2 MET 1 -0.395 -8.732 10.975 8 HE3 MET 1 HE3 MET 1 0.181 -7.343 10.052 No H/Q in entry = 8 In of MODEL 26 1 H ILE 2 H ILE 2 2.942 -7.059 5.651 2 HA ILE 2 HA ILE 2 4.026 -4.389 6.136 3 HB ILE 2 HB ILE 2 1.745 -5.055 4.260 4 HG12 ILE 2 HG12 ILE 2 4.534 -5.004 3.195 5 HG13 ILE 2 HG13 ILE 2 3.967 -6.473 3.991 6 HG21 ILE 2 HG21 ILE 2 2.278 -2.678 4.662 7 HG22 ILE 2 HG22 ILE 2 3.908 -2.960 4.042 8 HG23 ILE 2 HG23 ILE 2 2.515 -3.160 2.985 9 HD11 ILE 2 HD11 ILE 2 2.076 -6.571 2.432 10 HD12 ILE 2 HD12 ILE 2 2.682 -5.125 1.624 11 HD13 ILE 2 HD13 ILE 2 3.633 -6.613 1.600 No H/Q in entry = 11 In of MODEL 26 1 H GLN 3 H GLN 3 2.175 -2.645 6.178 2 HA GLN 3 HA GLN 3 -0.106 -3.516 7.758 3 HB2 GLN 3 HB2 GLN 3 0.362 -2.198 9.680 4 HB3 GLN 3 HB3 GLN 3 1.945 -2.852 9.280 5 HG2 GLN 3 HG2 GLN 3 2.568 -0.709 9.659 6 HG3 GLN 3 HG3 GLN 3 2.159 -0.523 7.940 7 HE21 GLN 3 HE21 GLN 3 1.349 0.208 11.204 8 HE22 GLN 3 HE22 GLN 3 0.097 1.358 10.877 No H/Q in entry = 8 In of MODEL 26 1 H VAL 4 H VAL 4 -1.795 -2.673 6.840 2 HA VAL 4 HA VAL 4 -1.577 -0.073 5.484 3 HB VAL 4 HB VAL 4 -3.788 -0.804 4.354 4 HG11 VAL 4 HG11 VAL 4 -1.648 -0.662 3.185 5 HG12 VAL 4 HG12 VAL 4 -1.236 -2.288 3.724 6 HG13 VAL 4 HG13 VAL 4 -2.590 -2.041 2.623 7 HG21 VAL 4 HG21 VAL 4 -4.238 -2.682 5.874 8 HG22 VAL 4 HG22 VAL 4 -4.165 -3.191 4.188 9 HG23 VAL 4 HG23 VAL 4 -2.804 -3.507 5.264 No H/Q in entry = 9 In of MODEL 26 1 H TYR 5 H TYR 5 -3.122 1.476 5.799 2 HA TYR 5 HA TYR 5 -5.279 1.286 7.653 3 HB2 TYR 5 HB2 TYR 5 -2.688 2.525 8.580 4 HB3 TYR 5 HB3 TYR 5 -4.238 3.040 9.243 5 HD1 TYR 5 HD1 TYR 5 -1.523 0.875 9.709 6 HD2 TYR 5 HD2 TYR 5 -5.764 0.961 10.076 7 HE1 TYR 5 HE1 TYR 5 -1.419 -1.051 11.234 8 HE2 TYR 5 HE2 TYR 5 -5.670 -0.960 11.629 9 HH TYR 5 HH TYR 5 -2.707 -2.090 12.971 No H/Q in entry = 9 In of MODEL 26 1 H SER 6 H SER 6 -6.113 3.636 8.086 2 HA SER 6 HA SER 6 -5.640 5.137 5.590 3 HB2 SER 6 HB2 SER 6 -8.295 4.736 7.003 4 HB3 SER 6 HB3 SER 6 -8.023 5.622 5.491 5 HG SER 6 HG SER 6 -7.985 2.862 5.985 No H/Q in entry = 5 In of MODEL 26 1 H ARG 7 H ARG 7 -6.350 7.377 5.636 2 HA ARG 7 HA ARG 7 -5.544 8.722 8.089 3 HB2 ARG 7 HB2 ARG 7 -5.059 9.350 5.538 4 HB3 ARG 7 HB3 ARG 7 -6.577 10.224 5.701 5 HG2 ARG 7 HG2 ARG 7 -4.232 10.637 7.537 6 HG3 ARG 7 HG3 ARG 7 -4.503 11.573 6.067 7 HD2 ARG 7 HD2 ARG 7 -6.820 12.069 7.045 8 HD3 ARG 7 HD3 ARG 7 -6.163 11.470 8.566 9 HE ARG 7 HE ARG 7 -4.775 13.646 7.162 10 HH11 ARG 7 HH11 ARG 7 -6.553 12.486 9.951 11 HH12 ARG 7 HH12 ARG 7 -6.303 13.941 10.874 12 HH21 ARG 7 HH21 ARG 7 -4.438 15.542 8.353 13 HH22 ARG 7 HH22 ARG 7 -5.107 15.690 9.951 No H/Q in entry = 13 In of MODEL 26 1 H HIS 8 H HIS 8 -8.462 7.729 6.623 2 HA HIS 8 HA HIS 8 -10.027 9.580 8.279 3 HB2 HIS 8 HB2 HIS 8 -10.582 8.851 5.389 4 HB3 HIS 8 HB3 HIS 8 -11.663 9.783 6.418 5 HD2 HIS 8 HD2 HIS 8 -10.189 12.214 7.439 6 HE1 HIS 8 HE1 HIS 8 -8.288 12.540 3.675 7 HE2 HIS 8 HE2 HIS 8 -9.036 13.801 5.740 No H/Q in entry = 7 In of MODEL 26 1 HA PRO 9 HA PRO 9 -12.467 5.964 9.260 2 HB2 PRO 9 HB2 PRO 9 -14.976 7.426 9.075 3 HB3 PRO 9 HB3 PRO 9 -14.147 6.817 10.516 4 HG2 PRO 9 HG2 PRO 9 -14.366 9.479 9.945 5 HG3 PRO 9 HG3 PRO 9 -12.974 8.794 10.813 6 HD2 PRO 9 HD2 PRO 9 -13.225 9.545 7.917 7 HD3 PRO 9 HD3 PRO 9 -11.876 9.856 9.038 No H/Q in entry = 7 In of MODEL 26 1 H ALA 10 H ALA 10 -13.365 4.304 8.140 2 HA ALA 10 HA ALA 10 -13.822 4.390 5.382 3 HB1 ALA 10 HB1 ALA 10 -14.712 2.131 5.641 4 HB2 ALA 10 HB2 ALA 10 -13.266 2.346 6.625 5 HB3 ALA 10 HB3 ALA 10 -14.857 2.376 7.380 No H/Q in entry = 5 In of MODEL 26 1 H GLU 11 H GLU 11 -15.383 5.882 4.647 2 HA GLU 11 HA GLU 11 -18.136 5.299 5.572 3 HB2 GLU 11 HB2 GLU 11 -16.964 7.707 5.812 4 HB3 GLU 11 HB3 GLU 11 -17.532 7.859 4.164 5 HG2 GLU 11 HG2 GLU 11 -19.254 7.311 6.564 6 HG3 GLU 11 HG3 GLU 11 -19.072 8.849 5.732 No H/Q in entry = 6 In of MODEL 26 1 H ASN 12 H ASN 12 -18.813 3.809 4.117 2 HA ASN 12 HA ASN 12 -18.259 3.315 1.537 3 HB2 ASN 12 HB2 ASN 12 -20.742 3.056 3.206 4 HB3 ASN 12 HB3 ASN 12 -20.920 2.711 1.502 5 HD21 ASN 12 HD21 ASN 12 -21.279 0.881 3.621 6 HD22 ASN 12 HD22 ASN 12 -20.082 -0.364 3.458 No H/Q in entry = 6 In of MODEL 26 1 H GLY 13 H GLY 13 -17.858 4.874 0.057 2 HA2 GLY 13 HA2 GLY 13 -20.104 6.696 -0.610 3 HA3 GLY 13 HA3 GLY 13 -19.069 5.969 -1.831 No H/Q in entry = 3 In of MODEL 26 1 H LYS 14 H LYS 14 -17.130 6.828 0.770 2 HA LYS 14 HA LYS 14 -16.633 9.514 -0.364 3 HB2 LYS 14 HB2 LYS 14 -15.197 8.233 1.964 4 HB3 LYS 14 HB3 LYS 14 -15.179 9.922 1.510 5 HG2 LYS 14 HG2 LYS 14 -17.654 8.508 2.460 6 HG3 LYS 14 HG3 LYS 14 -16.493 9.276 3.533 7 HD2 LYS 14 HD2 LYS 14 -18.324 10.749 3.177 8 HD3 LYS 14 HD3 LYS 14 -16.878 11.432 2.440 9 HE2 LYS 14 HE2 LYS 14 -18.672 11.801 0.932 10 HE3 LYS 14 HE3 LYS 14 -17.688 10.510 0.247 11 HZ1 LYS 14 HZ1 LYS 14 -20.186 10.107 1.803 12 HZ2 LYS 14 HZ2 LYS 14 -20.077 10.056 0.113 13 HZ3 LYS 14 HZ3 LYS 14 -19.273 8.897 1.052 No H/Q in entry = 13 In of MODEL 26 1 H SER 15 H SER 15 -14.675 10.115 -1.242 2 HA SER 15 HA SER 15 -12.742 7.969 -1.661 3 HB2 SER 15 HB2 SER 15 -11.657 9.957 -3.071 4 HB3 SER 15 HB3 SER 15 -12.909 8.901 -3.735 5 HG SER 15 HG SER 15 -13.672 11.219 -2.331 No H/Q in entry = 5 In of MODEL 26 1 H ASN 16 H ASN 16 -10.702 8.076 -0.940 2 HA ASN 16 HA ASN 16 -9.785 10.208 0.792 3 HB2 ASN 16 HB2 ASN 16 -10.045 7.439 1.985 4 HB3 ASN 16 HB3 ASN 16 -9.639 8.935 2.807 5 HD21 ASN 16 HD21 ASN 16 -11.259 10.148 3.675 6 HD22 ASN 16 HD22 ASN 16 -12.931 9.720 3.591 No H/Q in entry = 6 In of MODEL 26 1 H PHE 17 H PHE 17 -7.802 8.301 2.032 2 HA PHE 17 HA PHE 17 -6.371 7.544 -0.418 3 HB2 PHE 17 HB2 PHE 17 -5.304 9.175 1.891 4 HB3 PHE 17 HB3 PHE 17 -4.261 8.384 0.711 5 HD1 PHE 17 HD1 PHE 17 -5.709 8.842 -1.783 6 HD2 PHE 17 HD2 PHE 17 -5.026 11.455 1.509 7 HE1 PHE 17 HE1 PHE 17 -5.901 10.783 -3.286 8 HE2 PHE 17 HE2 PHE 17 -5.230 13.398 0.015 9 HZ PHE 17 HZ PHE 17 -5.666 13.063 -2.387 No H/Q in entry = 9 In of MODEL 26 1 H LEU 18 H LEU 18 -5.440 5.563 -0.350 2 HA LEU 18 HA LEU 18 -5.618 4.082 2.173 3 HB2 LEU 18 HB2 LEU 18 -6.498 2.877 0.292 4 HB3 LEU 18 HB3 LEU 18 -5.073 3.219 -0.670 5 HG LEU 18 HG LEU 18 -3.736 1.663 0.686 6 HD11 LEU 18 HD11 LEU 18 -6.285 1.224 2.244 7 HD12 LEU 18 HD12 LEU 18 -4.841 0.223 2.357 8 HD13 LEU 18 HD13 LEU 18 -4.779 1.912 2.853 9 HD21 LEU 18 HD21 LEU 18 -6.350 0.517 -0.292 10 HD22 LEU 18 HD22 LEU 18 -4.868 0.730 -1.223 11 HD23 LEU 18 HD23 LEU 18 -4.917 -0.432 0.101 No H/Q in entry = 11 In of MODEL 26 1 H ASN 19 H ASN 19 -3.928 3.743 3.426 2 HA ASN 19 HA ASN 19 -1.276 4.463 2.365 3 HB2 ASN 19 HB2 ASN 19 -1.178 5.846 4.142 4 HB3 ASN 19 HB3 ASN 19 -2.593 5.110 4.892 5 HD21 ASN 19 HD21 ASN 19 -2.321 3.566 6.455 6 HD22 ASN 19 HD22 ASN 19 -0.783 3.162 7.137 No H/Q in entry = 6 In of MODEL 26 1 H CYS 20 H CYS 20 0.222 2.951 2.154 2 HA CYS 20 HA CYS 20 0.049 0.530 3.827 3 HB2 CYS 20 HB2 CYS 20 -0.254 -0.122 1.543 4 HB3 CYS 20 HB3 CYS 20 1.002 0.981 0.974 No H/Q in entry = 4 In of MODEL 26 1 H TYR 21 H TYR 21 1.617 0.629 5.400 2 HA TYR 21 HA TYR 21 4.030 2.208 4.864 3 HB2 TYR 21 HB2 TYR 21 2.971 0.958 7.407 4 HB3 TYR 21 HB3 TYR 21 4.620 1.531 7.286 5 HD1 TYR 21 HD1 TYR 21 1.253 2.384 8.028 6 HD2 TYR 21 HD2 TYR 21 4.958 4.037 6.745 7 HE1 TYR 21 HE1 TYR 21 0.510 4.609 8.773 8 HE2 TYR 21 HE2 TYR 21 4.220 6.273 7.484 9 HH TYR 21 HH TYR 21 1.427 6.729 9.425 No H/Q in entry = 9 In of MODEL 26 1 H VAL 22 H VAL 22 5.854 1.335 4.226 2 HA VAL 22 HA VAL 22 6.280 -1.549 4.676 3 HB VAL 22 HB VAL 22 7.256 0.094 2.304 4 HG11 VAL 22 HG11 VAL 22 8.669 -1.836 3.039 5 HG12 VAL 22 HG12 VAL 22 7.303 -2.901 2.712 6 HG13 VAL 22 HG13 VAL 22 8.040 -1.984 1.396 7 HG21 VAL 22 HG21 VAL 22 4.840 -0.217 2.173 8 HG22 VAL 22 HG22 VAL 22 5.665 -1.188 0.952 9 HG23 VAL 22 HG23 VAL 22 5.036 -1.954 2.412 No H/Q in entry = 9 In of MODEL 26 1 H SER 23 H SER 23 7.832 -1.610 6.284 2 HA SER 23 HA SER 23 9.892 0.497 6.215 3 HB2 SER 23 HB2 SER 23 8.188 0.754 8.046 4 HB3 SER 23 HB3 SER 23 8.762 -0.772 8.720 5 HG SER 23 HG SER 23 9.766 1.665 9.081 No H/Q in entry = 5 In of MODEL 26 1 H GLY 24 H GLY 24 11.970 -0.082 6.494 2 HA2 GLY 24 HA2 GLY 24 12.616 -2.851 7.297 3 HA3 GLY 24 HA3 GLY 24 13.716 -1.481 7.378 No H/Q in entry = 3 In of MODEL 26 1 H PHE 25 H PHE 25 12.107 -1.240 4.534 2 HA PHE 25 HA PHE 25 14.116 -2.826 3.077 3 HB2 PHE 25 HB2 PHE 25 11.396 -1.953 2.108 4 HB3 PHE 25 HB3 PHE 25 12.507 -3.038 1.283 5 HD1 PHE 25 HD1 PHE 25 10.265 -2.727 4.220 6 HD2 PHE 25 HD2 PHE 25 12.626 -5.363 1.840 7 HE1 PHE 25 HE1 PHE 25 9.245 -4.666 5.365 8 HE2 PHE 25 HE2 PHE 25 11.607 -7.304 2.981 9 HZ PHE 25 HZ PHE 25 9.902 -6.941 4.718 No H/Q in entry = 9 In of MODEL 26 1 H HIS 26 H HIS 26 15.275 -1.888 1.462 2 HA HIS 26 HA HIS 26 15.423 1.001 1.529 3 HB2 HIS 26 HB2 HIS 26 17.499 -0.348 1.466 4 HB3 HIS 26 HB3 HIS 26 17.042 -0.961 -0.124 5 HD2 HIS 26 HD2 HIS 26 18.012 2.503 1.496 6 HE1 HIS 26 HE1 HIS 26 18.986 2.488 -2.619 7 HE2 HIS 26 HE2 HIS 26 19.300 3.695 -0.409 No H/Q in entry = 7 In of MODEL 26 1 HA PRO 27 HA PRO 27 12.179 1.814 -1.301 2 HB2 PRO 27 HB2 PRO 27 14.089 3.994 -2.062 3 HB3 PRO 27 HB3 PRO 27 12.342 4.079 -1.791 4 HG2 PRO 27 HG2 PRO 27 14.008 4.852 0.118 5 HG3 PRO 27 HG3 PRO 27 12.550 3.913 0.522 6 HD2 PRO 27 HD2 PRO 27 15.413 3.072 0.486 7 HD3 PRO 27 HD3 PRO 27 14.066 2.477 1.484 No H/Q in entry = 7 In of MODEL 26 1 H SER 28 H SER 28 15.468 1.824 -2.673 2 HA SER 28 HA SER 28 14.434 1.948 -5.331 3 HB2 SER 28 HB2 SER 28 16.572 2.981 -4.751 4 HB3 SER 28 HB3 SER 28 17.253 1.398 -4.383 5 HG SER 28 HG SER 28 16.202 2.135 -6.914 No H/Q in entry = 5 In of MODEL 26 1 H ASP 29 H ASP 29 15.534 -0.738 -3.270 2 HA ASP 29 HA ASP 29 15.462 -2.500 -5.606 3 HB2 ASP 29 HB2 ASP 29 16.542 -2.924 -2.819 4 HB3 ASP 29 HB3 ASP 29 16.410 -4.217 -4.001 No H/Q in entry = 4 In of MODEL 26 1 H ILE 30 H ILE 30 12.967 -1.504 -4.029 2 HA ILE 30 HA ILE 30 11.946 -4.233 -3.552 3 HB ILE 30 HB ILE 30 10.852 -3.682 -1.640 4 HG12 ILE 30 HG12 ILE 30 10.737 -0.753 -2.449 5 HG13 ILE 30 HG13 ILE 30 9.443 -1.934 -2.655 6 HG21 ILE 30 HG21 ILE 30 13.101 -1.689 -1.672 7 HG22 ILE 30 HG22 ILE 30 12.192 -2.137 -0.228 8 HG23 ILE 30 HG23 ILE 30 13.142 -3.350 -1.082 9 HD11 ILE 30 HD11 ILE 30 9.332 -2.217 -0.221 10 HD12 ILE 30 HD12 ILE 30 10.587 -0.992 -0.040 11 HD13 ILE 30 HD13 ILE 30 9.024 -0.555 -0.725 No H/Q in entry = 11 In of MODEL 26 1 H GLU 31 H GLU 31 9.583 -4.440 -3.709 2 HA GLU 31 HA GLU 31 8.384 -2.597 -5.673 3 HB2 GLU 31 HB2 GLU 31 8.204 -5.618 -5.613 4 HB3 GLU 31 HB3 GLU 31 7.204 -4.583 -6.621 5 HG2 GLU 31 HG2 GLU 31 9.132 -3.802 -7.840 6 HG3 GLU 31 HG3 GLU 31 10.221 -4.701 -6.785 No H/Q in entry = 6 In of MODEL 26 1 H VAL 32 H VAL 32 6.593 -1.718 -4.846 2 HA VAL 32 HA VAL 32 4.841 -3.347 -3.158 3 HB VAL 32 HB VAL 32 5.537 -2.186 -1.329 4 HG11 VAL 32 HG11 VAL 32 7.417 -1.191 -2.562 5 HG12 VAL 32 HG12 VAL 32 6.368 0.130 -3.072 6 HG13 VAL 32 HG13 VAL 32 6.741 -0.091 -1.362 7 HG21 VAL 32 HG21 VAL 32 3.270 -1.347 -1.646 8 HG22 VAL 32 HG22 VAL 32 4.296 -0.133 -0.883 9 HG23 VAL 32 HG23 VAL 32 3.891 0.004 -2.595 No H/Q in entry = 9 In of MODEL 26 1 H ASP 33 H ASP 33 2.707 -3.144 -3.624 2 HA ASP 33 HA ASP 33 1.848 -0.859 -5.259 3 HB2 ASP 33 HB2 ASP 33 1.192 -3.783 -5.903 4 HB3 ASP 33 HB3 ASP 33 0.453 -2.386 -6.684 No H/Q in entry = 4 In of MODEL 26 1 H LEU 34 H LEU 34 -0.579 -0.760 -5.298 2 HA LEU 34 HA LEU 34 -1.693 -1.672 -2.718 3 HB2 LEU 34 HB2 LEU 34 -2.100 0.840 -4.289 4 HB3 LEU 34 HB3 LEU 34 -3.448 0.231 -3.353 5 HG LEU 34 HG LEU 34 -1.981 0.305 -1.311 6 HD11 LEU 34 HD11 LEU 34 0.200 0.266 -2.394 7 HD12 LEU 34 HD12 LEU 34 -0.116 1.849 -3.108 8 HD13 LEU 34 HD13 LEU 34 0.027 1.681 -1.355 9 HD21 LEU 34 HD21 LEU 34 -3.599 2.070 -1.831 10 HD22 LEU 34 HD22 LEU 34 -2.185 2.684 -0.975 11 HD23 LEU 34 HD23 LEU 34 -2.345 2.942 -2.713 No H/Q in entry = 11 In of MODEL 26 1 H LEU 35 H LEU 35 -3.459 -3.019 -2.794 2 HA LEU 35 HA LEU 35 -4.416 -3.729 -5.493 3 HB2 LEU 35 HB2 LEU 35 -4.034 -5.602 -3.166 4 HB3 LEU 35 HB3 LEU 35 -4.577 -6.019 -4.770 5 HG LEU 35 HG LEU 35 -1.821 -5.369 -3.813 6 HD11 LEU 35 HD11 LEU 35 -3.169 -7.540 -5.412 7 HD12 LEU 35 HD12 LEU 35 -1.422 -7.403 -5.280 8 HD13 LEU 35 HD13 LEU 35 -2.395 -7.672 -3.835 9 HD21 LEU 35 HD21 LEU 35 -2.222 -3.906 -5.789 10 HD22 LEU 35 HD22 LEU 35 -1.008 -5.151 -6.070 11 HD23 LEU 35 HD23 LEU 35 -2.631 -5.341 -6.723 No H/Q in entry = 11 In of MODEL 26 1 H LYS 36 H LYS 36 -6.443 -4.896 -5.607 2 HA LYS 36 HA LYS 36 -8.318 -4.513 -3.373 3 HB2 LYS 36 HB2 LYS 36 -9.252 -4.939 -6.196 4 HB3 LYS 36 HB3 LYS 36 -10.075 -4.113 -4.856 5 HG2 LYS 36 HG2 LYS 36 -8.515 -2.245 -5.115 6 HG3 LYS 36 HG3 LYS 36 -7.706 -3.075 -6.430 7 HD2 LYS 36 HD2 LYS 36 -9.204 -1.321 -7.255 8 HD3 LYS 36 HD3 LYS 36 -9.684 -2.916 -7.840 9 HE2 LYS 36 HE2 LYS 36 -11.679 -1.585 -7.162 10 HE3 LYS 36 HE3 LYS 36 -11.485 -2.951 -6.084 11 HZ1 LYS 36 HZ1 LYS 36 -10.288 -0.365 -5.375 12 HZ2 LYS 36 HZ2 LYS 36 -11.945 -0.609 -5.147 13 HZ3 LYS 36 HZ3 LYS 36 -10.826 -1.614 -4.361 No H/Q in entry = 13 In of MODEL 26 1 H ASN 37 H ASN 37 -8.415 -6.517 -2.425 2 HA ASN 37 HA ASN 37 -8.429 -8.810 -2.231 3 HB2 ASN 37 HB2 ASN 37 -10.082 -8.764 -4.720 4 HB3 ASN 37 HB3 ASN 37 -10.328 -9.787 -3.335 5 HD21 ASN 37 HD21 ASN 37 -10.629 -6.587 -4.672 6 HD22 ASN 37 HD22 ASN 37 -11.857 -6.012 -3.608 No H/Q in entry = 6 In of MODEL 26 1 H GLY 38 H GLY 38 -6.106 -8.079 -3.445 2 HA2 GLY 38 HA2 GLY 38 -5.516 -10.344 -5.073 3 HA3 GLY 38 HA3 GLY 38 -4.390 -9.078 -4.636 No H/Q in entry = 3 In of MODEL 26 1 H GLU 39 H GLU 39 -6.255 -6.987 -5.904 2 HA GLU 39 HA GLU 39 -5.418 -7.563 -8.649 3 HB2 GLU 39 HB2 GLU 39 -7.923 -7.869 -8.259 4 HB3 GLU 39 HB3 GLU 39 -7.997 -6.148 -7.978 5 HG2 GLU 39 HG2 GLU 39 -6.813 -7.107 -10.501 6 HG3 GLU 39 HG3 GLU 39 -8.568 -7.103 -10.348 No H/Q in entry = 6 In of MODEL 26 1 H ARG 40 H ARG 40 -4.143 -6.045 -9.416 2 HA ARG 40 HA ARG 40 -3.168 -3.965 -7.955 3 HB2 ARG 40 HB2 ARG 40 -2.292 -5.086 -10.134 4 HB3 ARG 40 HB3 ARG 40 -3.202 -3.826 -10.953 5 HG2 ARG 40 HG2 ARG 40 -1.920 -2.150 -9.625 6 HG3 ARG 40 HG3 ARG 40 -0.929 -3.483 -9.046 7 HD2 ARG 40 HD2 ARG 40 0.178 -2.381 -10.890 8 HD3 ARG 40 HD3 ARG 40 -0.294 -4.008 -11.381 9 HE ARG 40 HE ARG 40 -2.309 -2.796 -12.406 10 HH11 ARG 40 HH11 ARG 40 0.868 -1.377 -12.057 11 HH12 ARG 40 HH12 ARG 40 0.741 -0.396 -13.492 12 HH21 ARG 40 HH21 ARG 40 -2.515 -1.490 -14.279 13 HH22 ARG 40 HH22 ARG 40 -1.200 -0.452 -14.750 No H/Q in entry = 13 In of MODEL 26 1 H ILE 41 H ILE 41 -4.019 -2.060 -7.281 2 HA ILE 41 HA ILE 41 -6.049 -0.672 -8.736 3 HB ILE 41 HB ILE 41 -4.315 0.399 -6.511 4 HG12 ILE 41 HG12 ILE 41 -6.948 -1.011 -6.163 5 HG13 ILE 41 HG13 ILE 41 -5.374 -1.739 -5.825 6 HG21 ILE 41 HG21 ILE 41 -7.035 1.157 -7.580 7 HG22 ILE 41 HG22 ILE 41 -6.408 1.747 -6.042 8 HG23 ILE 41 HG23 ILE 41 -5.579 2.145 -7.538 9 HD11 ILE 41 HD11 ILE 41 -6.238 0.810 -4.554 10 HD12 ILE 41 HD12 ILE 41 -6.665 -0.766 -3.883 11 HD13 ILE 41 HD13 ILE 41 -4.966 -0.316 -4.056 No H/Q in entry = 11 In of MODEL 26 1 H GLU 42 H GLU 42 -5.607 0.966 -10.049 2 HA GLU 42 HA GLU 42 -2.921 1.065 -11.049 3 HB2 GLU 42 HB2 GLU 42 -5.458 2.094 -12.280 4 HB3 GLU 42 HB3 GLU 42 -3.880 2.026 -13.047 5 HG2 GLU 42 HG2 GLU 42 -3.956 -0.477 -12.620 6 HG3 GLU 42 HG3 GLU 42 -5.675 -0.247 -12.288 No H/Q in entry = 6 In of MODEL 26 1 H LYS 43 H LYS 43 -5.132 3.272 -9.348 2 HA LYS 43 HA LYS 43 -3.722 5.586 -10.400 3 HB2 LYS 43 HB2 LYS 43 -5.822 5.513 -8.221 4 HB3 LYS 43 HB3 LYS 43 -5.218 6.936 -9.047 5 HG2 LYS 43 HG2 LYS 43 -7.292 4.993 -9.890 6 HG3 LYS 43 HG3 LYS 43 -7.162 6.719 -10.200 7 HD2 LYS 43 HD2 LYS 43 -5.506 4.622 -11.583 8 HD3 LYS 43 HD3 LYS 43 -7.000 5.292 -12.231 9 HE2 LYS 43 HE2 LYS 43 -5.930 7.546 -12.140 10 HE3 LYS 43 HE3 LYS 43 -4.423 6.754 -11.671 11 HZ1 LYS 43 HZ1 LYS 43 -4.778 5.375 -13.781 12 HZ2 LYS 43 HZ2 LYS 43 -5.872 6.585 -14.239 13 HZ3 LYS 43 HZ3 LYS 43 -4.243 6.971 -13.961 No H/Q in entry = 13 In of MODEL 26 1 H VAL 44 H VAL 44 -1.812 4.150 -9.277 2 HA VAL 44 HA VAL 44 -1.431 5.409 -6.650 3 HB VAL 44 HB VAL 44 -1.418 2.610 -7.064 4 HG11 VAL 44 HG11 VAL 44 0.854 2.744 -7.934 5 HG12 VAL 44 HG12 VAL 44 1.348 3.612 -6.481 6 HG13 VAL 44 HG13 VAL 44 0.812 1.935 -6.366 7 HG21 VAL 44 HG21 VAL 44 -0.468 4.301 -4.773 8 HG22 VAL 44 HG22 VAL 44 -2.089 3.655 -5.022 9 HG23 VAL 44 HG23 VAL 44 -0.748 2.563 -4.683 No H/Q in entry = 9 In of MODEL 26 1 H GLU 45 H GLU 45 0.284 6.632 -6.513 2 HA GLU 45 HA GLU 45 2.445 6.333 -8.479 3 HB2 GLU 45 HB2 GLU 45 0.857 8.877 -8.052 4 HB3 GLU 45 HB3 GLU 45 2.398 8.827 -8.883 5 HG2 GLU 45 HG2 GLU 45 1.484 7.634 -10.718 6 HG3 GLU 45 HG3 GLU 45 0.003 7.256 -9.833 No H/Q in entry = 6 In of MODEL 26 1 H HIS 46 H HIS 46 4.110 5.963 -7.060 2 HA HIS 46 HA HIS 46 5.071 8.389 -5.866 3 HB2 HIS 46 HB2 HIS 46 3.733 7.013 -4.083 4 HB3 HIS 46 HB3 HIS 46 5.136 5.953 -4.104 5 HD2 HIS 46 HD2 HIS 46 7.610 7.315 -3.296 6 HE1 HIS 46 HE1 HIS 46 5.448 10.325 -1.262 7 HE2 HIS 46 HE2 HIS 46 7.751 9.414 -1.782 No H/Q in entry = 7 In of MODEL 26 1 H SER 47 H SER 47 7.172 8.521 -6.196 2 HA SER 47 HA SER 47 8.449 6.238 -7.527 3 HB2 SER 47 HB2 SER 47 9.338 9.134 -7.451 4 HB3 SER 47 HB3 SER 47 9.933 7.868 -8.527 5 HG SER 47 HG SER 47 7.228 8.716 -8.448 No H/Q in entry = 5 In of MODEL 26 1 H ASP 48 H ASP 48 10.503 5.517 -6.934 2 HA ASP 48 HA ASP 48 11.092 5.669 -4.162 3 HB2 ASP 48 HB2 ASP 48 12.064 3.734 -4.714 4 HB3 ASP 48 HB3 ASP 48 12.026 4.132 -6.419 No H/Q in entry = 4 In of MODEL 26 1 H LEU 49 H LEU 49 12.934 6.535 -3.148 2 HA LEU 49 HA LEU 49 13.978 8.919 -4.512 3 HB2 LEU 49 HB2 LEU 49 13.542 10.168 -2.300 4 HB3 LEU 49 HB3 LEU 49 12.191 9.960 -3.403 5 HG LEU 49 HG LEU 49 11.528 9.676 -1.052 6 HD11 LEU 49 HD11 LEU 49 11.356 7.114 -2.597 7 HD12 LEU 49 HD12 LEU 49 10.425 7.485 -1.147 8 HD13 LEU 49 HD13 LEU 49 10.202 8.448 -2.605 9 HD21 LEU 49 HD21 LEU 49 13.665 8.857 -0.159 10 HD22 LEU 49 HD22 LEU 49 12.284 7.892 0.355 11 HD23 LEU 49 HD23 LEU 49 13.353 7.290 -0.910 No H/Q in entry = 11 In of MODEL 26 1 H SER 50 H SER 50 15.194 6.333 -3.618 2 HA SER 50 HA SER 50 16.627 7.146 -1.208 3 HB2 SER 50 HB2 SER 50 17.473 4.792 -1.242 4 HB3 SER 50 HB3 SER 50 15.714 4.918 -1.171 5 HG SER 50 HG SER 50 15.632 4.477 -3.398 No H/Q in entry = 5 In of MODEL 26 1 H PHE 51 H PHE 51 17.581 5.615 -4.305 2 HA PHE 51 HA PHE 51 19.445 5.823 -5.578 3 HB2 PHE 51 HB2 PHE 51 19.312 8.657 -4.520 4 HB3 PHE 51 HB3 PHE 51 20.430 8.134 -5.778 5 HD1 PHE 51 HD1 PHE 51 16.962 8.929 -4.975 6 HD2 PHE 51 HD2 PHE 51 19.623 7.533 -7.989 7 HE1 PHE 51 HE1 PHE 51 15.233 9.323 -6.680 8 HE2 PHE 51 HE2 PHE 51 17.899 7.926 -9.699 9 HZ PHE 51 HZ PHE 51 15.701 8.824 -9.044 No H/Q in entry = 9 In of MODEL 26 1 H SER 52 H SER 52 20.257 4.308 -3.937 2 HA SER 52 HA SER 52 21.932 3.465 -2.682 3 HB2 SER 52 HB2 SER 52 23.218 6.187 -2.974 4 HB3 SER 52 HB3 SER 52 23.999 4.765 -2.284 5 HG SER 52 HG SER 52 23.182 5.231 -4.953 No H/Q in entry = 5 In of MODEL 26 1 H LYS 53 H LYS 53 21.428 6.845 -1.599 2 HA LYS 53 HA LYS 53 21.445 5.901 1.166 3 HB2 LYS 53 HB2 LYS 53 21.327 8.719 0.071 4 HB3 LYS 53 HB3 LYS 53 21.507 8.281 1.767 5 HG2 LYS 53 HG2 LYS 53 23.608 7.048 1.079 6 HG3 LYS 53 HG3 LYS 53 23.459 7.868 -0.474 7 HD2 LYS 53 HD2 LYS 53 23.549 10.029 0.657 8 HD3 LYS 53 HD3 LYS 53 23.691 9.210 2.216 9 HE2 LYS 53 HE2 LYS 53 25.646 9.094 -0.078 10 HE3 LYS 53 HE3 LYS 53 25.880 9.908 1.468 11 HZ1 LYS 53 HZ1 LYS 53 25.782 7.757 2.572 12 HZ2 LYS 53 HZ2 LYS 53 25.563 6.977 1.082 13 HZ3 LYS 53 HZ3 LYS 53 27.014 7.783 1.410 No H/Q in entry = 13 In of MODEL 26 1 H ASP 54 H ASP 54 19.744 8.178 2.045 2 HA ASP 54 HA ASP 54 17.602 8.261 2.847 3 HB2 ASP 54 HB2 ASP 54 17.353 8.453 -0.132 4 HB3 ASP 54 HB3 ASP 54 15.902 8.464 0.867 No H/Q in entry = 4 In of MODEL 26 1 H TRP 55 H TRP 55 17.944 6.075 3.675 2 HA TRP 55 HA TRP 55 16.957 3.874 2.123 3 HB2 TRP 55 HB2 TRP 55 17.788 2.490 3.960 4 HB3 TRP 55 HB3 TRP 55 19.008 3.631 3.409 5 HD1 TRP 55 HD1 TRP 55 18.868 6.105 5.063 6 HE1 TRP 55 HE1 TRP 55 18.919 6.121 7.646 7 HE3 TRP 55 HE3 TRP 55 17.395 1.234 5.994 8 HZ2 TRP 55 HZ2 TRP 55 18.431 4.353 9.756 9 HZ3 TRP 55 HZ3 TRP 55 17.224 0.515 8.329 10 HH2 TRP 55 HH2 TRP 55 17.727 2.031 10.173 No H/Q in entry = 10 In of MODEL 26 1 H SER 56 H SER 56 16.050 2.214 4.129 2 HA SER 56 HA SER 56 13.306 2.684 4.114 3 HB2 SER 56 HB2 SER 56 14.030 0.948 6.255 4 HB3 SER 56 HB3 SER 56 13.433 0.516 4.650 5 HG SER 56 HG SER 56 15.690 -0.188 5.449 No H/Q in entry = 5 In of MODEL 26 1 H PHE 57 H PHE 57 12.758 4.817 5.154 2 HA PHE 57 HA PHE 57 12.901 4.605 8.051 3 HB2 PHE 57 HB2 PHE 57 13.432 7.075 8.104 4 HB3 PHE 57 HB3 PHE 57 14.734 6.043 7.527 5 HD1 PHE 57 HD1 PHE 57 11.792 7.695 5.888 6 HD2 PHE 57 HD2 PHE 57 15.993 7.029 5.948 7 HE1 PHE 57 HE1 PHE 57 12.028 9.051 3.851 8 HE2 PHE 57 HE2 PHE 57 16.238 8.382 3.910 9 HZ PHE 57 HZ PHE 57 14.256 9.397 2.859 No H/Q in entry = 9 In of MODEL 26 1 H TYR 58 H TYR 58 10.917 4.497 5.648 2 HA TYR 58 HA TYR 58 8.542 5.332 6.322 3 HB2 TYR 58 HB2 TYR 58 9.416 7.501 7.119 4 HB3 TYR 58 HB3 TYR 58 9.953 7.886 5.490 5 HD1 TYR 58 HD1 TYR 58 6.743 6.626 6.995 6 HD2 TYR 58 HD2 TYR 58 8.615 9.517 4.479 7 HE1 TYR 58 HE1 TYR 58 4.544 7.647 6.536 8 HE2 TYR 58 HE2 TYR 58 6.411 10.547 4.017 9 HH TYR 58 HH TYR 58 3.613 9.734 5.818 No H/Q in entry = 9 In of MODEL 26 1 H LEU 59 H LEU 59 8.447 3.737 4.543 2 HA LEU 59 HA LEU 59 8.304 5.019 1.898 3 HB2 LEU 59 HB2 LEU 59 8.538 2.227 2.903 4 HB3 LEU 59 HB3 LEU 59 7.661 2.464 1.407 5 HG LEU 59 HG LEU 59 10.413 3.602 1.713 6 HD11 LEU 59 HD11 LEU 59 10.536 1.240 2.405 7 HD12 LEU 59 HD12 LEU 59 9.776 0.779 0.882 8 HD13 LEU 59 HD13 LEU 59 11.364 1.542 0.879 9 HD21 LEU 59 HD21 LEU 59 8.785 2.571 -0.611 10 HD22 LEU 59 HD22 LEU 59 9.115 4.261 -0.231 11 HD23 LEU 59 HD23 LEU 59 10.431 3.196 -0.728 No H/Q in entry = 11 In of MODEL 26 1 H LEU 60 H LEU 60 6.362 5.784 1.247 2 HA LEU 60 HA LEU 60 3.919 4.362 1.992 3 HB2 LEU 60 HB2 LEU 60 4.227 6.061 3.657 4 HB3 LEU 60 HB3 LEU 60 4.668 7.236 2.446 5 HG LEU 60 HG LEU 60 2.031 6.519 1.828 6 HD11 LEU 60 HD11 LEU 60 1.981 5.493 4.105 7 HD12 LEU 60 HD12 LEU 60 2.326 7.089 4.763 8 HD13 LEU 60 HD13 LEU 60 0.831 6.810 3.873 9 HD21 LEU 60 HD21 LEU 60 3.137 8.728 1.625 10 HD22 LEU 60 HD22 LEU 60 1.562 8.807 2.417 11 HD23 LEU 60 HD23 LEU 60 3.039 8.895 3.375 No H/Q in entry = 11 In of MODEL 26 1 H TYR 61 H TYR 61 2.425 4.384 0.364 2 HA TYR 61 HA TYR 61 2.910 6.070 -2.019 3 HB2 TYR 61 HB2 TYR 61 1.988 3.162 -1.857 4 HB3 TYR 61 HB3 TYR 61 1.862 4.127 -3.339 5 HD1 TYR 61 HD1 TYR 61 3.609 3.984 -4.867 6 HD2 TYR 61 HD2 TYR 61 4.458 3.142 -0.781 7 HE1 TYR 61 HE1 TYR 61 5.911 3.383 -5.479 8 HE2 TYR 61 HE2 TYR 61 6.771 2.545 -1.394 9 HH TYR 61 HH TYR 61 8.025 1.797 -3.338 No H/Q in entry = 9 In of MODEL 26 1 H TYR 62 H TYR 62 0.775 6.486 -3.247 2 HA TYR 62 HA TYR 62 -1.510 6.313 -1.421 3 HB2 TYR 62 HB2 TYR 62 -2.162 8.660 -2.003 4 HB3 TYR 62 HB3 TYR 62 -0.736 8.508 -0.990 5 HD1 TYR 62 HD1 TYR 62 1.383 9.306 -1.730 6 HD2 TYR 62 HD2 TYR 62 -1.913 9.337 -4.405 7 HE1 TYR 62 HE1 TYR 62 2.644 10.761 -3.249 8 HE2 TYR 62 HE2 TYR 62 -0.659 10.787 -5.947 9 HH TYR 62 HH TYR 62 2.698 11.377 -5.579 No H/Q in entry = 9 In of MODEL 26 1 H THR 63 H THR 63 -3.459 5.921 -2.323 2 HA THR 63 HA THR 63 -3.886 6.470 -5.158 3 HB THR 63 HB THR 63 -3.190 4.016 -4.891 4 HG1 THR 63 HG1 THR 63 -4.517 4.995 -6.627 5 HG21 THR 63 HG21 THR 63 -5.915 3.875 -3.624 6 HG22 THR 63 HG22 THR 63 -5.041 2.483 -4.253 7 HG23 THR 63 HG23 THR 63 -4.387 3.395 -2.896 No H/Q in entry = 7 In of MODEL 26 1 H GLU 64 H GLU 64 -5.941 7.093 -5.601 2 HA GLU 64 HA GLU 64 -7.707 7.909 -3.575 3 HB2 GLU 64 HB2 GLU 64 -7.439 8.618 -6.105 4 HB3 GLU 64 HB3 GLU 64 -8.611 7.335 -6.386 5 HG2 GLU 64 HG2 GLU 64 -9.841 9.348 -6.247 6 HG3 GLU 64 HG3 GLU 64 -10.136 8.459 -4.754 No H/Q in entry = 6 In of MODEL 26 1 H PHE 65 H PHE 65 -9.367 6.807 -2.529 2 HA PHE 65 HA PHE 65 -10.247 4.300 -3.774 3 HB2 PHE 65 HB2 PHE 65 -10.148 3.073 -1.765 4 HB3 PHE 65 HB3 PHE 65 -8.638 3.944 -1.872 5 HD1 PHE 65 HD1 PHE 65 -12.019 4.659 -0.437 6 HD2 PHE 65 HD2 PHE 65 -7.808 4.624 0.115 7 HE1 PHE 65 HE1 PHE 65 -12.317 5.447 1.872 8 HE2 PHE 65 HE2 PHE 65 -8.114 5.423 2.437 9 HZ PHE 65 HZ PHE 65 -10.385 5.826 3.312 No H/Q in entry = 9 In of MODEL 26 1 H THR 66 H THR 66 -12.363 3.649 -3.369 2 HA THR 66 HA THR 66 -13.972 5.282 -1.538 3 HB THR 66 HB THR 66 -14.856 4.505 -4.345 4 HG1 THR 66 HG1 THR 66 -13.436 6.608 -3.417 5 HG21 THR 66 HG21 THR 66 -16.216 6.113 -2.167 6 HG22 THR 66 HG22 THR 66 -16.775 6.007 -3.841 7 HG23 THR 66 HG23 THR 66 -16.735 4.564 -2.834 No H/Q in entry = 7 In of MODEL 26 1 HA PRO 67 HA PRO 67 -14.665 0.927 -0.500 2 HB2 PRO 67 HB2 PRO 67 -16.069 1.558 1.865 3 HB3 PRO 67 HB3 PRO 67 -14.375 1.078 1.735 4 HG2 PRO 67 HG2 PRO 67 -15.404 3.644 2.444 5 HG3 PRO 67 HG3 PRO 67 -13.713 3.176 2.215 6 HD2 PRO 67 HD2 PRO 67 -15.453 4.736 0.485 7 HD3 PRO 67 HD3 PRO 67 -13.692 4.539 0.419 No H/Q in entry = 7 In of MODEL 26 1 H THR 68 H THR 68 -16.166 -0.385 -0.819 2 HA THR 68 HA THR 68 -18.977 0.441 -0.913 3 HB THR 68 HB THR 68 -19.273 -1.154 -2.802 4 HG1 THR 68 HG1 THR 68 -17.107 -1.736 -3.817 5 HG21 THR 68 HG21 THR 68 -18.838 1.224 -3.280 6 HG22 THR 68 HG22 THR 68 -17.110 0.877 -3.349 7 HG23 THR 68 HG23 THR 68 -18.198 0.165 -4.538 No H/Q in entry = 7 In of MODEL 26 1 H GLU 69 H GLU 69 -20.430 -1.469 -0.458 2 HA GLU 69 HA GLU 69 -19.599 -2.965 1.733 3 HB2 GLU 69 HB2 GLU 69 -21.916 -2.636 1.351 4 HB3 GLU 69 HB3 GLU 69 -21.869 -3.365 -0.236 5 HG2 GLU 69 HG2 GLU 69 -22.852 -5.003 1.056 6 HG3 GLU 69 HG3 GLU 69 -21.152 -5.492 1.033 No H/Q in entry = 6 In of MODEL 26 1 H LYS 70 H LYS 70 -18.562 -3.417 -1.462 2 HA LYS 70 HA LYS 70 -18.155 -6.272 -0.984 3 HB2 LYS 70 HB2 LYS 70 -18.494 -4.840 -3.598 4 HB3 LYS 70 HB3 LYS 70 -18.029 -6.526 -3.473 5 HG2 LYS 70 HG2 LYS 70 -20.574 -5.569 -2.202 6 HG3 LYS 70 HG3 LYS 70 -20.502 -5.908 -3.922 7 HD2 LYS 70 HD2 LYS 70 -21.334 -7.848 -2.768 8 HD3 LYS 70 HD3 LYS 70 -19.742 -8.198 -3.428 9 HE2 LYS 70 HE2 LYS 70 -18.734 -8.080 -1.288 10 HE3 LYS 70 HE3 LYS 70 -20.180 -7.371 -0.564 11 HZ1 LYS 70 HZ1 LYS 70 -21.334 -9.467 -0.954 12 HZ2 LYS 70 HZ2 LYS 70 -19.925 -10.133 -1.637 13 HZ3 LYS 70 HZ3 LYS 70 -19.955 -9.701 0.002 No H/Q in entry = 13 In of MODEL 26 1 H ASP 71 H ASP 71 -16.223 -3.398 -1.698 2 HA ASP 71 HA ASP 71 -14.187 -5.134 -2.882 3 HB2 ASP 71 HB2 ASP 71 -14.694 -3.065 -4.109 4 HB3 ASP 71 HB3 ASP 71 -14.132 -2.123 -2.719 No H/Q in entry = 4 In of MODEL 26 1 H GLU 72 H GLU 72 -12.368 -5.689 -1.905 2 HA GLU 72 HA GLU 72 -11.680 -4.684 0.781 3 HB2 GLU 72 HB2 GLU 72 -12.006 -7.058 0.651 4 HB3 GLU 72 HB3 GLU 72 -10.985 -7.186 -0.773 5 HG2 GLU 72 HG2 GLU 72 -9.048 -6.494 0.660 6 HG3 GLU 72 HG3 GLU 72 -10.139 -6.594 2.024 No H/Q in entry = 6 In of MODEL 26 1 H TYR 73 H TYR 73 -9.549 -3.903 1.175 2 HA TYR 73 HA TYR 73 -7.979 -3.304 -1.243 3 HB2 TYR 73 HB2 TYR 73 -8.452 -1.567 1.190 4 HB3 TYR 73 HB3 TYR 73 -7.216 -1.228 -0.008 5 HD1 TYR 73 HD1 TYR 73 -10.900 -1.708 0.360 6 HD2 TYR 73 HD2 TYR 73 -7.742 0.058 -1.886 7 HE1 TYR 73 HE1 TYR 73 -12.544 -0.429 -0.964 8 HE2 TYR 73 HE2 TYR 73 -9.384 1.330 -3.200 9 HH TYR 73 HH TYR 73 -12.720 1.488 -2.329 No H/Q in entry = 9 In of MODEL 26 1 H ALA 74 H ALA 74 -5.835 -3.791 -1.240 2 HA ALA 74 HA ALA 74 -4.611 -4.737 1.268 3 HB1 ALA 74 HB1 ALA 74 -5.443 -6.694 0.099 4 HB2 ALA 74 HB2 ALA 74 -4.619 -6.187 -1.377 5 HB3 ALA 74 HB3 ALA 74 -3.682 -6.661 0.043 No H/Q in entry = 5 In of MODEL 26 1 H CYS 75 H CYS 75 -2.197 -4.821 1.166 2 HA CYS 75 HA CYS 75 -1.096 -3.366 -1.159 3 HB2 CYS 75 HB2 CYS 75 -0.939 -1.854 0.673 4 HB3 CYS 75 HB3 CYS 75 -0.300 -3.102 1.735 No H/Q in entry = 4 In of MODEL 26 1 H ARG 76 H ARG 76 0.547 -4.316 -2.227 2 HA ARG 76 HA ARG 76 1.517 -6.927 -1.266 3 HB2 ARG 76 HB2 ARG 76 0.208 -6.605 -3.445 4 HB3 ARG 76 HB3 ARG 76 1.642 -5.783 -4.049 5 HG2 ARG 76 HG2 ARG 76 2.899 -7.803 -4.002 6 HG3 ARG 76 HG3 ARG 76 1.678 -8.632 -3.033 7 HD2 ARG 76 HD2 ARG 76 1.572 -9.326 -5.419 8 HD3 ARG 76 HD3 ARG 76 0.096 -8.508 -4.890 9 HE ARG 76 HE ARG 76 1.854 -6.598 -5.964 10 HH11 ARG 76 HH11 ARG 76 -0.072 -9.307 -7.038 11 HH12 ARG 76 HH12 ARG 76 -0.292 -8.682 -8.647 12 HH21 ARG 76 HH21 ARG 76 1.591 -5.773 -8.071 13 HH22 ARG 76 HH22 ARG 76 0.657 -6.664 -9.238 No H/Q in entry = 13 In of MODEL 26 1 H VAL 77 H VAL 77 3.681 -7.092 -0.720 2 HA VAL 77 HA VAL 77 5.540 -5.233 -2.065 3 HB VAL 77 HB VAL 77 4.986 -4.624 0.409 4 HG11 VAL 77 HG11 VAL 77 6.977 -6.851 0.810 5 HG12 VAL 77 HG12 VAL 77 6.476 -5.683 2.036 6 HG13 VAL 77 HG13 VAL 77 5.304 -6.819 1.371 7 HG21 VAL 77 HG21 VAL 77 6.703 -3.574 -0.993 8 HG22 VAL 77 HG22 VAL 77 7.214 -3.724 0.690 9 HG23 VAL 77 HG23 VAL 77 7.840 -4.838 -0.523 No H/Q in entry = 9 In of MODEL 26 1 H ASN 78 H ASN 78 7.435 -5.982 -2.675 2 HA ASN 78 HA ASN 78 8.313 -8.657 -1.784 3 HB2 ASN 78 HB2 ASN 78 7.074 -8.771 -4.010 4 HB3 ASN 78 HB3 ASN 78 8.414 -7.850 -4.696 5 HD21 ASN 78 HD21 ASN 78 8.971 -9.549 -6.071 6 HD22 ASN 78 HD22 ASN 78 9.743 -10.985 -5.492 No H/Q in entry = 6 In of MODEL 26 1 H HIS 79 H HIS 79 10.448 -9.012 -1.698 2 HA HIS 79 HA HIS 79 12.280 -6.909 -2.616 3 HB2 HIS 79 HB2 HIS 79 11.850 -6.734 -0.131 4 HB3 HIS 79 HB3 HIS 79 12.521 -8.351 0.042 5 HD2 HIS 79 HD2 HIS 79 13.648 -4.699 -0.368 6 HE1 HIS 79 HE1 HIS 79 17.105 -7.136 -0.203 7 HE2 HIS 79 HE2 HIS 79 16.246 -4.759 -0.404 No H/Q in entry = 7 In of MODEL 26 1 H VAL 80 H VAL 80 14.489 -7.749 -2.927 2 HA VAL 80 HA VAL 80 14.610 -10.099 -4.400 3 HB VAL 80 HB VAL 80 16.933 -8.798 -2.958 4 HG11 VAL 80 HG11 VAL 80 16.890 -10.612 -5.373 5 HG12 VAL 80 HG12 VAL 80 18.314 -9.792 -4.733 6 HG13 VAL 80 HG13 VAL 80 17.497 -11.024 -3.769 7 HG21 VAL 80 HG21 VAL 80 15.804 -8.279 -5.705 8 HG22 VAL 80 HG22 VAL 80 15.782 -7.176 -4.330 9 HG23 VAL 80 HG23 VAL 80 17.314 -7.613 -5.082 No H/Q in entry = 9 In of MODEL 26 1 H THR 81 H THR 81 14.863 -9.681 -0.954 2 HA THR 81 HA THR 81 16.152 -12.202 -0.449 3 HB THR 81 HB THR 81 16.354 -10.590 1.305 4 HG1 THR 81 HG1 THR 81 15.835 -12.941 1.806 5 HG21 THR 81 HG21 THR 81 13.333 -10.599 1.492 6 HG22 THR 81 HG22 THR 81 14.427 -9.751 2.587 7 HG23 THR 81 HG23 THR 81 14.330 -9.273 0.891 No H/Q in entry = 7 In of MODEL 26 1 H LEU 82 H LEU 82 12.725 -11.166 -0.183 2 HA LEU 82 HA LEU 82 11.710 -13.779 0.212 3 HB2 LEU 82 HB2 LEU 82 10.191 -11.638 -1.259 4 HB3 LEU 82 HB3 LEU 82 9.569 -12.914 -0.229 5 HG LEU 82 HG LEU 82 11.151 -10.573 0.806 6 HD11 LEU 82 HD11 LEU 82 8.182 -11.005 0.688 7 HD12 LEU 82 HD12 LEU 82 8.995 -9.725 1.591 8 HD13 LEU 82 HD13 LEU 82 9.114 -9.775 -0.165 9 HD21 LEU 82 HD21 LEU 82 9.480 -12.663 2.194 10 HD22 LEU 82 HD22 LEU 82 11.241 -12.558 2.226 11 HD23 LEU 82 HD23 LEU 82 10.268 -11.290 2.972 No H/Q in entry = 11 In of MODEL 26 1 H SER 83 H SER 83 10.472 -15.058 -1.329 2 HA SER 83 HA SER 83 11.198 -14.596 -4.154 3 HB2 SER 83 HB2 SER 83 12.119 -16.720 -3.167 4 HB3 SER 83 HB3 SER 83 10.462 -17.243 -2.859 5 HG SER 83 HG SER 83 11.087 -16.412 -5.451 No H/Q in entry = 5 In of MODEL 26 1 H GLN 84 H GLN 84 8.867 -14.443 -1.862 2 HA GLN 84 HA GLN 84 6.739 -14.391 -3.841 3 HB2 GLN 84 HB2 GLN 84 5.189 -15.528 -2.283 4 HB3 GLN 84 HB3 GLN 84 6.508 -16.562 -2.808 5 HG2 GLN 84 HG2 GLN 84 6.538 -15.091 -0.183 6 HG3 GLN 84 HG3 GLN 84 5.837 -16.697 -0.368 7 HE21 GLN 84 HE21 GLN 84 7.192 -18.444 -0.812 8 HE22 GLN 84 HE22 GLN 84 8.896 -18.374 -0.520 No H/Q in entry = 8 In of MODEL 26 1 HA PRO 85 HA PRO 85 6.235 -10.507 -1.546 2 HB2 PRO 85 HB2 PRO 85 4.098 -9.576 -2.979 3 HB3 PRO 85 HB3 PRO 85 5.802 -9.341 -3.421 4 HG2 PRO 85 HG2 PRO 85 3.797 -11.255 -4.522 5 HG3 PRO 85 HG3 PRO 85 5.150 -10.436 -5.338 6 HD2 PRO 85 HD2 PRO 85 5.217 -13.109 -4.552 7 HD3 PRO 85 HD3 PRO 85 6.675 -12.079 -4.757 No H/Q in entry = 7 In of MODEL 26 1 H LYS 86 H LYS 86 4.656 -9.572 -0.208 2 HA LYS 86 HA LYS 86 2.682 -11.557 0.707 3 HB2 LYS 86 HB2 LYS 86 3.761 -9.200 2.262 4 HB3 LYS 86 HB3 LYS 86 2.788 -10.521 2.886 5 HG2 LYS 86 HG2 LYS 86 5.640 -10.679 1.906 6 HG3 LYS 86 HG3 LYS 86 5.104 -10.748 3.580 7 HD2 LYS 86 HD2 LYS 86 3.684 -12.806 2.409 8 HD3 LYS 86 HD3 LYS 86 5.229 -12.847 1.555 9 HE2 LYS 86 HE2 LYS 86 6.448 -13.117 3.582 10 HE3 LYS 86 HE3 LYS 86 5.036 -12.728 4.560 11 HZ1 LYS 86 HZ1 LYS 86 5.255 -15.137 2.833 12 HZ2 LYS 86 HZ2 LYS 86 5.573 -15.113 4.500 13 HZ3 LYS 86 HZ3 LYS 86 4.015 -14.769 3.929 No H/Q in entry = 13 In of MODEL 26 1 H ILE 87 H ILE 87 0.614 -10.903 1.251 2 HA ILE 87 HA ILE 87 -0.173 -8.215 0.328 3 HB ILE 87 HB ILE 87 -1.482 -10.787 -0.179 4 HG12 ILE 87 HG12 ILE 87 -0.983 -9.566 -2.096 5 HG13 ILE 87 HG13 ILE 87 -2.693 -9.182 -1.860 6 HG21 ILE 87 HG21 ILE 87 -3.146 -8.516 0.882 7 HG22 ILE 87 HG22 ILE 87 -3.798 -9.839 -0.089 8 HG23 ILE 87 HG23 ILE 87 -3.071 -10.172 1.487 9 HD11 ILE 87 HD11 ILE 87 -0.427 -7.448 -0.951 10 HD12 ILE 87 HD12 ILE 87 -1.347 -7.230 -2.437 11 HD13 ILE 87 HD13 ILE 87 -2.149 -7.084 -0.877 No H/Q in entry = 11 In of MODEL 26 1 H VAL 88 H VAL 88 -1.058 -6.865 1.702 2 HA VAL 88 HA VAL 88 -1.962 -7.884 4.311 3 HB VAL 88 HB VAL 88 0.079 -6.549 4.550 4 HG11 VAL 88 HG11 VAL 88 -0.258 -5.146 2.514 5 HG12 VAL 88 HG12 VAL 88 -1.414 -4.197 3.459 6 HG13 VAL 88 HG13 VAL 88 0.274 -4.273 3.955 7 HG21 VAL 88 HG21 VAL 88 -2.450 -5.306 5.572 8 HG22 VAL 88 HG22 VAL 88 -1.373 -6.425 6.407 9 HG23 VAL 88 HG23 VAL 88 -0.849 -4.768 6.087 No H/Q in entry = 9 In of MODEL 26 1 H LYS 89 H LYS 89 -4.119 -7.594 4.608 2 HA LYS 89 HA LYS 89 -5.419 -5.730 2.754 3 HB2 LYS 89 HB2 LYS 89 -6.675 -8.043 4.224 4 HB3 LYS 89 HB3 LYS 89 -7.412 -7.058 2.967 5 HG2 LYS 89 HG2 LYS 89 -6.141 -8.015 1.290 6 HG3 LYS 89 HG3 LYS 89 -4.917 -8.588 2.428 7 HD2 LYS 89 HD2 LYS 89 -7.749 -9.587 2.438 8 HD3 LYS 89 HD3 LYS 89 -6.471 -10.355 1.490 9 HE2 LYS 89 HE2 LYS 89 -5.198 -10.700 3.590 10 HE3 LYS 89 HE3 LYS 89 -6.552 -10.006 4.487 11 HZ1 LYS 89 HZ1 LYS 89 -7.964 -11.787 3.554 12 HZ2 LYS 89 HZ2 LYS 89 -6.582 -12.491 2.862 13 HZ3 LYS 89 HZ3 LYS 89 -6.717 -12.368 4.552 No H/Q in entry = 13 In of MODEL 26 1 H TRP 90 H TRP 90 -7.015 -4.355 3.498 2 HA TRP 90 HA TRP 90 -6.485 -3.431 6.175 3 HB2 TRP 90 HB2 TRP 90 -6.618 -1.791 4.363 4 HB3 TRP 90 HB3 TRP 90 -8.263 -2.301 4.008 5 HD1 TRP 90 HD1 TRP 90 -6.695 -1.180 7.417 6 HE1 TRP 90 HE1 TRP 90 -8.099 0.725 8.338 7 HE3 TRP 90 HE3 TRP 90 -10.070 -0.700 3.553 8 HZ2 TRP 90 HZ2 TRP 90 -10.393 2.196 7.609 9 HZ3 TRP 90 HZ3 TRP 90 -11.836 0.986 3.754 10 HH2 TRP 90 HH2 TRP 90 -12.000 2.423 5.721 No H/Q in entry = 10 In of MODEL 26 1 H ASP 91 H ASP 91 -7.587 -3.858 7.898 2 HA ASP 91 HA ASP 91 -9.713 -5.713 7.955 3 HB2 ASP 91 HB2 ASP 91 -8.639 -3.838 10.067 4 HB3 ASP 91 HB3 ASP 91 -9.873 -5.053 10.380 No H/Q in entry = 4 In of MODEL 26 1 H ARG 92 H ARG 92 -11.559 -5.148 6.928 2 HA ARG 92 HA ARG 92 -13.289 -3.306 8.237 3 HB2 ARG 92 HB2 ARG 92 -13.422 -1.519 6.750 4 HB3 ARG 92 HB3 ARG 92 -11.716 -1.919 6.624 5 HG2 ARG 92 HG2 ARG 92 -12.268 -1.687 4.408 6 HG3 ARG 92 HG3 ARG 92 -12.455 -3.431 4.616 7 HD2 ARG 92 HD2 ARG 92 -14.912 -3.009 5.015 8 HD3 ARG 92 HD3 ARG 92 -14.638 -1.331 4.513 9 HE ARG 92 HE ARG 92 -13.635 -2.772 2.461 10 HH11 ARG 92 HH11 ARG 92 -16.710 -2.726 4.137 11 HH12 ARG 92 HH12 ARG 92 -17.584 -3.410 2.804 12 HH21 ARG 92 HH21 ARG 92 -14.784 -3.690 0.716 13 HH22 ARG 92 HH22 ARG 92 -16.496 -3.938 0.861 No H/Q in entry = 13 In of MODEL 26 1 H ASP 93 H ASP 93 -12.667 -5.888 6.293 2 HA ASP 93 HA ASP 93 -15.325 -6.700 5.841 3 HB2 ASP 93 HB2 ASP 93 -15.152 -4.863 4.151 4 HB3 ASP 93 HB3 ASP 93 -13.871 -5.785 3.368 No H/Q in entry = 4 In of MODEL 26 1 HA MET 94 HA MET 94 -11.637 -9.255 4.019 2 HB2 MET 94 HB2 MET 94 -9.862 -10.020 5.947 3 HB3 MET 94 HB3 MET 94 -9.578 -8.748 4.766 4 HG2 MET 94 HG2 MET 94 -9.003 -8.177 7.158 5 HG3 MET 94 HG3 MET 94 -10.054 -7.017 6.347 6 HE1 MET 94 HE1 MET 94 -10.408 -10.426 8.357 7 HE2 MET 94 HE2 MET 94 -9.453 -9.311 9.334 8 HE3 MET 94 HE3 MET 94 -11.064 -9.792 9.867 No H/Q in entry = 8 In of MODEL 27 1 HA MET 1 HA MET 1 4.701 -8.340 7.359 2 HB2 MET 1 HB2 MET 1 5.098 -8.921 9.697 3 HB3 MET 1 HB3 MET 1 5.421 -7.239 10.083 4 HG2 MET 1 HG2 MET 1 3.106 -6.674 9.520 5 HG3 MET 1 HG3 MET 1 2.789 -8.369 9.155 6 HE1 MET 1 HE1 MET 1 1.032 -6.658 11.201 7 HE2 MET 1 HE2 MET 1 0.721 -8.358 10.848 8 HE3 MET 1 HE3 MET 1 0.839 -7.812 12.521 No H/Q in entry = 8 In of MODEL 27 1 H ILE 2 H ILE 2 3.603 -6.922 6.177 2 HA ILE 2 HA ILE 2 4.183 -4.074 6.374 3 HB ILE 2 HB ILE 2 1.921 -5.036 4.674 4 HG12 ILE 2 HG12 ILE 2 4.750 -5.465 3.707 5 HG13 ILE 2 HG13 ILE 2 3.763 -6.756 4.392 6 HG21 ILE 2 HG21 ILE 2 2.686 -2.667 4.745 7 HG22 ILE 2 HG22 ILE 2 4.198 -3.190 3.987 8 HG23 ILE 2 HG23 ILE 2 2.670 -3.385 3.137 9 HD11 ILE 2 HD11 ILE 2 2.102 -6.426 2.623 10 HD12 ILE 2 HD12 ILE 2 3.093 -5.139 1.937 11 HD13 ILE 2 HD13 ILE 2 3.694 -6.799 1.961 No H/Q in entry = 11 In of MODEL 27 1 H GLN 3 H GLN 3 2.450 -2.519 6.716 2 HA GLN 3 HA GLN 3 -0.015 -3.599 7.866 3 HB2 GLN 3 HB2 GLN 3 1.899 -1.727 9.225 4 HB3 GLN 3 HB3 GLN 3 0.179 -1.725 9.635 5 HG2 GLN 3 HG2 GLN 3 1.967 -4.155 9.810 6 HG3 GLN 3 HG3 GLN 3 1.532 -3.117 11.191 7 HE21 GLN 3 HE21 GLN 3 0.363 -5.444 8.859 8 HE22 GLN 3 HE22 GLN 3 -1.119 -5.801 9.684 No H/Q in entry = 8 In of MODEL 27 1 H VAL 4 H VAL 4 -1.637 -2.741 6.792 2 HA VAL 4 HA VAL 4 -1.318 -0.092 5.599 3 HB VAL 4 HB VAL 4 -3.646 -0.685 4.564 4 HG11 VAL 4 HG11 VAL 4 -1.144 -2.169 3.728 5 HG12 VAL 4 HG12 VAL 4 -2.561 -1.898 2.717 6 HG13 VAL 4 HG13 VAL 4 -1.589 -0.532 3.257 7 HG21 VAL 4 HG21 VAL 4 -2.679 -3.423 5.385 8 HG22 VAL 4 HG22 VAL 4 -4.125 -2.603 5.971 9 HG23 VAL 4 HG23 VAL 4 -4.014 -3.094 4.281 No H/Q in entry = 9 In of MODEL 27 1 H TYR 5 H TYR 5 -2.912 1.489 5.810 2 HA TYR 5 HA TYR 5 -4.806 1.383 7.996 3 HB2 TYR 5 HB2 TYR 5 -2.377 3.195 8.059 4 HB3 TYR 5 HB3 TYR 5 -3.828 3.519 8.993 5 HD1 TYR 5 HD1 TYR 5 -4.521 0.979 10.220 6 HD2 TYR 5 HD2 TYR 5 -0.650 2.586 9.455 7 HE1 TYR 5 HE1 TYR 5 -3.595 -0.368 12.075 8 HE2 TYR 5 HE2 TYR 5 0.278 1.246 11.300 9 HH TYR 5 HH TYR 5 -1.469 -1.274 12.818 No H/Q in entry = 9 In of MODEL 27 1 H SER 6 H SER 6 -5.923 3.656 8.097 2 HA SER 6 HA SER 6 -5.717 4.937 5.465 3 HB2 SER 6 HB2 SER 6 -8.263 4.473 7.047 4 HB3 SER 6 HB3 SER 6 -8.130 5.353 5.515 5 HG SER 6 HG SER 6 -7.829 2.596 6.019 No H/Q in entry = 5 In of MODEL 27 1 H ARG 7 H ARG 7 -6.362 7.133 5.358 2 HA ARG 7 HA ARG 7 -5.384 8.638 7.628 3 HB2 ARG 7 HB2 ARG 7 -5.146 8.959 4.927 4 HB3 ARG 7 HB3 ARG 7 -6.444 10.093 5.278 5 HG2 ARG 7 HG2 ARG 7 -3.849 10.122 6.779 6 HG3 ARG 7 HG3 ARG 7 -4.086 11.002 5.270 7 HD2 ARG 7 HD2 ARG 7 -5.964 12.209 6.285 8 HD3 ARG 7 HD3 ARG 7 -5.699 11.337 7.796 9 HE ARG 7 HE ARG 7 -3.283 12.488 7.265 10 HH11 ARG 7 HH11 ARG 7 -6.548 13.728 7.614 11 HH12 ARG 7 HH12 ARG 7 -6.018 15.305 8.106 12 HH21 ARG 7 HH21 ARG 7 -2.609 14.553 7.929 13 HH22 ARG 7 HH22 ARG 7 -3.795 15.772 8.304 No H/Q in entry = 13 In of MODEL 27 1 H HIS 8 H HIS 8 -8.406 7.776 6.285 2 HA HIS 8 HA HIS 8 -9.808 9.612 8.104 3 HB2 HIS 8 HB2 HIS 8 -10.689 8.876 5.299 4 HB3 HIS 8 HB3 HIS 8 -11.562 9.915 6.417 5 HD2 HIS 8 HD2 HIS 8 -9.869 12.295 7.121 6 HE1 HIS 8 HE1 HIS 8 -8.341 12.303 3.175 7 HE2 HIS 8 HE2 HIS 8 -8.651 13.676 5.284 No H/Q in entry = 7 In of MODEL 27 1 HA PRO 9 HA PRO 9 -12.236 6.016 9.253 2 HB2 PRO 9 HB2 PRO 9 -14.743 7.517 9.109 3 HB3 PRO 9 HB3 PRO 9 -13.914 6.858 10.530 4 HG2 PRO 9 HG2 PRO 9 -14.067 9.531 10.035 5 HG3 PRO 9 HG3 PRO 9 -12.660 8.791 10.832 6 HD2 PRO 9 HD2 PRO 9 -13.001 9.629 7.971 7 HD3 PRO 9 HD3 PRO 9 -11.604 9.875 9.047 No H/Q in entry = 7 In of MODEL 27 1 H ALA 10 H ALA 10 -13.226 4.335 8.208 2 HA ALA 10 HA ALA 10 -13.726 4.385 5.449 3 HB1 ALA 10 HB1 ALA 10 -14.608 2.132 5.752 4 HB2 ALA 10 HB2 ALA 10 -13.146 2.352 6.712 5 HB3 ALA 10 HB3 ALA 10 -14.726 2.396 7.491 No H/Q in entry = 5 In of MODEL 27 1 H GLU 11 H GLU 11 -15.361 5.800 4.673 2 HA GLU 11 HA GLU 11 -18.074 5.077 5.623 3 HB2 GLU 11 HB2 GLU 11 -17.065 7.526 5.957 4 HB3 GLU 11 HB3 GLU 11 -17.541 7.706 4.282 5 HG2 GLU 11 HG2 GLU 11 -19.387 7.016 6.554 6 HG3 GLU 11 HG3 GLU 11 -19.189 8.596 5.809 No H/Q in entry = 6 In of MODEL 27 1 H ASN 12 H ASN 12 -18.693 3.572 4.097 2 HA ASN 12 HA ASN 12 -18.184 3.245 1.496 3 HB2 ASN 12 HB2 ASN 12 -19.681 1.710 2.460 4 HB3 ASN 12 HB3 ASN 12 -20.785 2.963 3.022 5 HD21 ASN 12 HD21 ASN 12 -22.288 3.808 1.587 6 HD22 ASN 12 HD22 ASN 12 -22.664 3.031 0.082 No H/Q in entry = 6 In of MODEL 27 1 H GLY 13 H GLY 13 -18.001 4.587 -0.140 2 HA2 GLY 13 HA2 GLY 13 -20.097 6.639 -0.564 3 HA3 GLY 13 HA3 GLY 13 -19.254 5.812 -1.860 No H/Q in entry = 3 In of MODEL 27 1 H LYS 14 H LYS 14 -17.257 6.720 0.784 2 HA LYS 14 HA LYS 14 -16.699 9.372 -0.326 3 HB2 LYS 14 HB2 LYS 14 -15.277 8.019 1.968 4 HB3 LYS 14 HB3 LYS 14 -15.248 9.719 1.559 5 HG2 LYS 14 HG2 LYS 14 -17.678 8.242 2.563 6 HG3 LYS 14 HG3 LYS 14 -16.550 9.147 3.558 7 HD2 LYS 14 HD2 LYS 14 -18.426 10.516 3.201 8 HD3 LYS 14 HD3 LYS 14 -17.093 11.195 2.269 9 HE2 LYS 14 HE2 LYS 14 -19.041 11.311 0.915 10 HE3 LYS 14 HE3 LYS 14 -18.032 10.023 0.260 11 HZ1 LYS 14 HZ1 LYS 14 -19.437 8.435 1.532 12 HZ2 LYS 14 HZ2 LYS 14 -20.451 9.718 1.954 13 HZ3 LYS 14 HZ3 LYS 14 -20.288 9.275 0.327 No H/Q in entry = 13 In of MODEL 27 1 H SER 15 H SER 15 -14.745 10.010 -1.205 2 HA SER 15 HA SER 15 -12.806 7.884 -1.693 3 HB2 SER 15 HB2 SER 15 -11.732 9.922 -3.041 4 HB3 SER 15 HB3 SER 15 -12.980 8.879 -3.732 5 HG SER 15 HG SER 15 -14.477 10.434 -3.418 No H/Q in entry = 5 In of MODEL 27 1 H ASN 16 H ASN 16 -10.757 7.973 -0.994 2 HA ASN 16 HA ASN 16 -9.787 10.036 0.772 3 HB2 ASN 16 HB2 ASN 16 -10.146 7.278 1.957 4 HB3 ASN 16 HB3 ASN 16 -9.680 8.756 2.778 5 HD21 ASN 16 HD21 ASN 16 -11.235 10.015 3.658 6 HD22 ASN 16 HD22 ASN 16 -12.925 9.638 3.618 No H/Q in entry = 6 In of MODEL 27 1 H PHE 17 H PHE 17 -7.788 8.338 2.002 2 HA PHE 17 HA PHE 17 -6.435 7.362 -0.426 3 HB2 PHE 17 HB2 PHE 17 -5.371 9.127 1.762 4 HB3 PHE 17 HB3 PHE 17 -4.294 8.183 0.738 5 HD1 PHE 17 HD1 PHE 17 -5.970 8.412 -1.776 6 HD2 PHE 17 HD2 PHE 17 -4.667 11.297 1.064 7 HE1 PHE 17 HE1 PHE 17 -6.049 10.150 -3.521 8 HE2 PHE 17 HE2 PHE 17 -4.751 13.044 -0.667 9 HZ PHE 17 HZ PHE 17 -5.442 12.473 -2.962 No H/Q in entry = 9 In of MODEL 27 1 H LEU 18 H LEU 18 -5.477 5.414 -0.332 2 HA LEU 18 HA LEU 18 -5.597 3.961 2.212 3 HB2 LEU 18 HB2 LEU 18 -6.503 2.708 0.397 4 HB3 LEU 18 HB3 LEU 18 -5.136 3.085 -0.632 5 HG LEU 18 HG LEU 18 -3.686 1.600 0.697 6 HD11 LEU 18 HD11 LEU 18 -6.174 1.048 2.320 7 HD12 LEU 18 HD12 LEU 18 -4.683 0.115 2.397 8 HD13 LEU 18 HD13 LEU 18 -4.685 1.805 2.892 9 HD21 LEU 18 HD21 LEU 18 -6.274 0.337 -0.201 10 HD22 LEU 18 HD22 LEU 18 -4.846 0.638 -1.189 11 HD23 LEU 18 HD23 LEU 18 -4.777 -0.535 0.123 No H/Q in entry = 11 In of MODEL 27 1 H ASN 19 H ASN 19 -3.860 3.646 3.420 2 HA ASN 19 HA ASN 19 -1.270 4.457 2.281 3 HB2 ASN 19 HB2 ASN 19 -2.465 4.882 5.017 4 HB3 ASN 19 HB3 ASN 19 -0.733 5.046 4.729 5 HD21 ASN 19 HD21 ASN 19 -3.896 6.354 4.075 6 HD22 ASN 19 HD22 ASN 19 -3.354 7.883 3.478 No H/Q in entry = 6 In of MODEL 27 1 H CYS 20 H CYS 20 0.204 2.923 2.085 2 HA CYS 20 HA CYS 20 0.166 0.597 3.931 3 HB2 CYS 20 HB2 CYS 20 -0.131 -0.141 1.642 4 HB3 CYS 20 HB3 CYS 20 1.260 0.816 1.096 No H/Q in entry = 4 In of MODEL 27 1 H TYR 21 H TYR 21 1.830 0.527 5.317 2 HA TYR 21 HA TYR 21 4.210 2.166 4.767 3 HB2 TYR 21 HB2 TYR 21 3.509 0.758 7.348 4 HB3 TYR 21 HB3 TYR 21 4.817 1.898 7.105 5 HD1 TYR 21 HD1 TYR 21 1.221 1.501 7.556 6 HD2 TYR 21 HD2 TYR 21 4.392 4.279 7.004 7 HE1 TYR 21 HE1 TYR 21 -0.278 3.337 8.222 8 HE2 TYR 21 HE2 TYR 21 2.906 6.123 7.672 9 HH TYR 21 HH TYR 21 0.500 6.613 7.763 No H/Q in entry = 9 In of MODEL 27 1 H VAL 22 H VAL 22 5.975 1.248 4.003 2 HA VAL 22 HA VAL 22 6.400 -1.611 4.562 3 HB VAL 22 HB VAL 22 7.422 0.043 2.213 4 HG11 VAL 22 HG11 VAL 22 8.862 -1.856 2.936 5 HG12 VAL 22 HG12 VAL 22 7.510 -2.946 2.640 6 HG13 VAL 22 HG13 VAL 22 8.212 -2.030 1.303 7 HG21 VAL 22 HG21 VAL 22 5.210 -2.017 2.347 8 HG22 VAL 22 HG22 VAL 22 5.024 -0.289 2.046 9 HG23 VAL 22 HG23 VAL 22 5.852 -1.304 0.866 No H/Q in entry = 9 In of MODEL 27 1 H SER 23 H SER 23 7.927 -1.765 6.163 2 HA SER 23 HA SER 23 9.936 0.391 6.317 3 HB2 SER 23 HB2 SER 23 8.160 0.596 8.035 4 HB3 SER 23 HB3 SER 23 8.589 -1.001 8.644 5 HG SER 23 HG SER 23 10.167 -0.129 9.705 No H/Q in entry = 5 In of MODEL 27 1 H GLY 24 H GLY 24 12.007 -0.176 6.596 2 HA2 GLY 24 HA2 GLY 24 12.671 -2.919 7.489 3 HA3 GLY 24 HA3 GLY 24 13.732 -1.523 7.619 No H/Q in entry = 3 In of MODEL 27 1 H PHE 25 H PHE 25 12.208 -1.438 4.706 2 HA PHE 25 HA PHE 25 14.236 -3.076 3.349 3 HB2 PHE 25 HB2 PHE 25 11.600 -2.031 2.322 4 HB3 PHE 25 HB3 PHE 25 12.686 -3.121 1.466 5 HD1 PHE 25 HD1 PHE 25 12.814 -5.460 2.003 6 HD2 PHE 25 HD2 PHE 25 10.362 -2.856 4.320 7 HE1 PHE 25 HE1 PHE 25 11.766 -7.416 3.086 8 HE2 PHE 25 HE2 PHE 25 9.305 -4.810 5.408 9 HZ PHE 25 HZ PHE 25 9.998 -7.077 4.761 No H/Q in entry = 9 In of MODEL 27 1 H HIS 26 H HIS 26 15.508 -2.239 1.724 2 HA HIS 26 HA HIS 26 15.841 0.630 1.815 3 HB2 HIS 26 HB2 HIS 26 17.401 -1.346 0.138 4 HB3 HIS 26 HB3 HIS 26 17.890 0.276 0.629 5 HD2 HIS 26 HD2 HIS 26 18.042 0.433 3.613 6 HE1 HIS 26 HE1 HIS 26 19.432 -3.562 3.730 7 HE2 HIS 26 HE2 HIS 26 19.067 -1.446 5.085 No H/Q in entry = 7 In of MODEL 27 1 HA PRO 27 HA PRO 27 12.650 1.376 -1.057 2 HB2 PRO 27 HB2 PRO 27 14.438 3.680 -1.721 3 HB3 PRO 27 HB3 PRO 27 12.697 3.669 -1.406 4 HG2 PRO 27 HG2 PRO 27 14.446 4.442 0.464 5 HG3 PRO 27 HG3 PRO 27 12.974 3.524 0.894 6 HD2 PRO 27 HD2 PRO 27 15.823 2.663 0.840 7 HD3 PRO 27 HD3 PRO 27 14.462 2.027 1.787 No H/Q in entry = 7 In of MODEL 27 1 H SER 28 H SER 28 15.978 1.404 -2.302 2 HA SER 28 HA SER 28 15.122 1.880 -4.975 3 HB2 SER 28 HB2 SER 28 17.318 2.624 -4.172 4 HB3 SER 28 HB3 SER 28 17.825 0.947 -3.979 5 HG SER 28 HG SER 28 17.180 2.327 -6.373 No H/Q in entry = 5 In of MODEL 27 1 H ASP 29 H ASP 29 15.710 -1.085 -3.134 2 HA ASP 29 HA ASP 29 15.304 -2.589 -5.649 3 HB2 ASP 29 HB2 ASP 29 16.707 -3.475 -3.119 4 HB3 ASP 29 HB3 ASP 29 16.335 -4.535 -4.472 No H/Q in entry = 4 In of MODEL 27 1 H ILE 30 H ILE 30 13.009 -1.588 -4.155 2 HA ILE 30 HA ILE 30 11.869 -4.231 -3.552 3 HB ILE 30 HB ILE 30 10.885 -3.642 -1.599 4 HG12 ILE 30 HG12 ILE 30 10.775 -0.721 -2.443 5 HG13 ILE 30 HG13 ILE 30 9.464 -1.894 -2.595 6 HG21 ILE 30 HG21 ILE 30 13.155 -1.675 -1.731 7 HG22 ILE 30 HG22 ILE 30 12.274 -2.073 -0.255 8 HG23 ILE 30 HG23 ILE 30 13.185 -3.321 -1.102 9 HD11 ILE 30 HD11 ILE 30 9.407 -2.143 -0.166 10 HD12 ILE 30 HD12 ILE 30 10.706 -0.960 -0.015 11 HD13 ILE 30 HD13 ILE 30 9.140 -0.472 -0.662 No H/Q in entry = 11 In of MODEL 27 1 H GLU 31 H GLU 31 9.534 -4.357 -3.716 2 HA GLU 31 HA GLU 31 8.366 -2.424 -5.601 3 HB2 GLU 31 HB2 GLU 31 8.217 -5.443 -5.755 4 HB3 GLU 31 HB3 GLU 31 7.222 -4.351 -6.703 5 HG2 GLU 31 HG2 GLU 31 9.191 -3.425 -7.785 6 HG3 GLU 31 HG3 GLU 31 10.244 -4.454 -6.818 No H/Q in entry = 6 In of MODEL 27 1 H VAL 32 H VAL 32 6.608 -1.563 -4.714 2 HA VAL 32 HA VAL 32 4.807 -3.262 -3.146 3 HB VAL 32 HB VAL 32 5.456 -2.216 -1.249 4 HG11 VAL 32 HG11 VAL 32 7.446 -1.311 -2.371 5 HG12 VAL 32 HG12 VAL 32 6.516 0.111 -2.842 6 HG13 VAL 32 HG13 VAL 32 6.814 -0.228 -1.134 7 HG21 VAL 32 HG21 VAL 32 3.270 -1.199 -1.589 8 HG22 VAL 32 HG22 VAL 32 4.357 -0.096 -0.745 9 HG23 VAL 32 HG23 VAL 32 4.016 0.139 -2.459 No H/Q in entry = 9 In of MODEL 27 1 H ASP 33 H ASP 33 2.676 -2.987 -3.581 2 HA ASP 33 HA ASP 33 1.870 -0.665 -5.209 3 HB2 ASP 33 HB2 ASP 33 1.330 -3.596 -5.859 4 HB3 ASP 33 HB3 ASP 33 0.386 -2.271 -6.549 No H/Q in entry = 4 In of MODEL 27 1 H LEU 34 H LEU 34 -0.534 -0.475 -5.307 2 HA LEU 34 HA LEU 34 -1.766 -1.432 -2.816 3 HB2 LEU 34 HB2 LEU 34 -2.114 1.067 -4.395 4 HB3 LEU 34 HB3 LEU 34 -3.513 0.436 -3.555 5 HG LEU 34 HG LEU 34 -2.147 0.498 -1.424 6 HD11 LEU 34 HD11 LEU 34 0.058 0.660 -2.660 7 HD12 LEU 34 HD12 LEU 34 -0.338 2.353 -2.944 8 HD13 LEU 34 HD13 LEU 34 -0.161 1.751 -1.290 9 HD21 LEU 34 HD21 LEU 34 -3.830 2.166 -1.953 10 HD22 LEU 34 HD22 LEU 34 -2.466 2.870 -1.084 11 HD23 LEU 34 HD23 LEU 34 -2.622 3.112 -2.824 No H/Q in entry = 11 In of MODEL 27 1 H LEU 35 H LEU 35 -3.427 -2.825 -2.910 2 HA LEU 35 HA LEU 35 -4.394 -3.583 -5.582 3 HB2 LEU 35 HB2 LEU 35 -3.878 -5.415 -3.236 4 HB3 LEU 35 HB3 LEU 35 -4.449 -5.891 -4.817 5 HG LEU 35 HG LEU 35 -1.701 -5.098 -3.954 6 HD11 LEU 35 HD11 LEU 35 -2.914 -7.358 -5.544 7 HD12 LEU 35 HD12 LEU 35 -1.185 -7.140 -5.303 8 HD13 LEU 35 HD13 LEU 35 -2.240 -7.439 -3.916 9 HD21 LEU 35 HD21 LEU 35 -2.251 -3.697 -5.942 10 HD22 LEU 35 HD22 LEU 35 -0.964 -4.869 -6.226 11 HD23 LEU 35 HD23 LEU 35 -2.587 -5.177 -6.838 No H/Q in entry = 11 In of MODEL 27 1 H LYS 36 H LYS 36 -6.336 -4.859 -5.590 2 HA LYS 36 HA LYS 36 -8.142 -4.615 -3.269 3 HB2 LYS 36 HB2 LYS 36 -9.269 -5.062 -5.997 4 HB3 LYS 36 HB3 LYS 36 -9.955 -4.132 -4.650 5 HG2 LYS 36 HG2 LYS 36 -8.507 -2.286 -5.173 6 HG3 LYS 36 HG3 LYS 36 -7.633 -3.215 -6.370 7 HD2 LYS 36 HD2 LYS 36 -9.174 -1.651 -7.443 8 HD3 LYS 36 HD3 LYS 36 -9.625 -3.321 -7.799 9 HE2 LYS 36 HE2 LYS 36 -11.580 -1.833 -7.311 10 HE3 LYS 36 HE3 LYS 36 -11.459 -3.183 -6.180 11 HZ1 LYS 36 HZ1 LYS 36 -10.440 -0.438 -5.648 12 HZ2 LYS 36 HZ2 LYS 36 -11.962 -0.994 -5.152 13 HZ3 LYS 36 HZ3 LYS 36 -10.555 -1.712 -4.535 No H/Q in entry = 13 In of MODEL 27 1 H ASN 37 H ASN 37 -8.180 -6.709 -2.439 2 HA ASN 37 HA ASN 37 -7.781 -8.983 -2.427 3 HB2 ASN 37 HB2 ASN 37 -9.682 -10.135 -3.762 4 HB3 ASN 37 HB3 ASN 37 -10.127 -9.015 -2.481 5 HD21 ASN 37 HD21 ASN 37 -10.772 -6.883 -3.097 6 HD22 ASN 37 HD22 ASN 37 -11.519 -6.590 -4.631 No H/Q in entry = 6 In of MODEL 27 1 H GLY 38 H GLY 38 -5.768 -8.180 -3.802 2 HA2 GLY 38 HA2 GLY 38 -5.255 -10.293 -5.637 3 HA3 GLY 38 HA3 GLY 38 -4.141 -9.017 -5.214 No H/Q in entry = 3 In of MODEL 27 1 H GLU 39 H GLU 39 -6.145 -6.948 -6.131 2 HA GLU 39 HA GLU 39 -5.664 -7.290 -9.012 3 HB2 GLU 39 HB2 GLU 39 -8.065 -7.629 -8.507 4 HB3 GLU 39 HB3 GLU 39 -8.124 -6.042 -7.754 5 HG2 GLU 39 HG2 GLU 39 -9.074 -5.998 -10.007 6 HG3 GLU 39 HG3 GLU 39 -7.635 -4.986 -9.895 No H/Q in entry = 6 In of MODEL 27 1 H ARG 40 H ARG 40 -4.318 -5.813 -9.693 2 HA ARG 40 HA ARG 40 -3.327 -3.710 -8.119 3 HB2 ARG 40 HB2 ARG 40 -2.635 -4.923 -10.544 4 HB3 ARG 40 HB3 ARG 40 -2.992 -3.266 -11.002 5 HG2 ARG 40 HG2 ARG 40 -1.363 -2.483 -9.316 6 HG3 ARG 40 HG3 ARG 40 -0.968 -4.161 -8.950 7 HD2 ARG 40 HD2 ARG 40 0.715 -3.333 -10.431 8 HD3 ARG 40 HD3 ARG 40 -0.298 -4.428 -11.379 9 HE ARG 40 HE ARG 40 -1.264 -2.560 -12.473 10 HH11 ARG 40 HH11 ARG 40 1.324 -1.690 -10.264 11 HH12 ARG 40 HH12 ARG 40 1.657 -0.180 -11.054 12 HH21 ARG 40 HH21 ARG 40 -0.848 -0.553 -13.496 13 HH22 ARG 40 HH22 ARG 40 0.428 0.467 -12.884 No H/Q in entry = 13 In of MODEL 27 1 H ILE 41 H ILE 41 -4.171 -1.823 -7.604 2 HA ILE 41 HA ILE 41 -6.599 -0.851 -8.677 3 HB ILE 41 HB ILE 41 -4.577 0.551 -6.924 4 HG12 ILE 41 HG12 ILE 41 -7.058 -1.008 -6.174 5 HG13 ILE 41 HG13 ILE 41 -5.405 -1.588 -5.985 6 HG21 ILE 41 HG21 ILE 41 -7.486 1.179 -7.440 7 HG22 ILE 41 HG22 ILE 41 -6.476 1.965 -6.227 8 HG23 ILE 41 HG23 ILE 41 -6.101 2.145 -7.938 9 HD11 ILE 41 HD11 ILE 41 -6.261 0.944 -4.663 10 HD12 ILE 41 HD12 ILE 41 -6.655 -0.627 -3.962 11 HD13 ILE 41 HD13 ILE 41 -4.967 -0.186 -4.235 No H/Q in entry = 11 In of MODEL 27 1 H GLU 42 H GLU 42 -3.678 1.129 -8.462 2 HA GLU 42 HA GLU 42 -2.144 1.201 -10.370 3 HB2 GLU 42 HB2 GLU 42 -4.631 1.778 -11.986 4 HB3 GLU 42 HB3 GLU 42 -2.982 1.919 -12.572 5 HG2 GLU 42 HG2 GLU 42 -2.805 -0.578 -11.885 6 HG3 GLU 42 HG3 GLU 42 -4.569 -0.520 -11.951 No H/Q in entry = 6 In of MODEL 27 1 H LYS 43 H LYS 43 -4.700 3.291 -9.167 2 HA LYS 43 HA LYS 43 -3.520 5.668 -10.320 3 HB2 LYS 43 HB2 LYS 43 -5.527 5.605 -8.069 4 HB3 LYS 43 HB3 LYS 43 -5.249 6.883 -9.238 5 HG2 LYS 43 HG2 LYS 43 -6.712 4.276 -9.631 6 HG3 LYS 43 HG3 LYS 43 -7.318 5.926 -9.813 7 HD2 LYS 43 HD2 LYS 43 -5.293 4.558 -11.594 8 HD3 LYS 43 HD3 LYS 43 -6.981 4.873 -11.989 9 HE2 LYS 43 HE2 LYS 43 -6.545 7.292 -11.808 10 HE3 LYS 43 HE3 LYS 43 -4.850 6.945 -11.467 11 HZ1 LYS 43 HZ1 LYS 43 -4.820 5.749 -13.659 12 HZ2 LYS 43 HZ2 LYS 43 -6.335 6.439 -13.978 13 HZ3 LYS 43 HZ3 LYS 43 -4.979 7.435 -13.749 No H/Q in entry = 13 In of MODEL 27 1 H VAL 44 H VAL 44 -1.450 4.601 -9.114 2 HA VAL 44 HA VAL 44 -1.317 5.791 -6.435 3 HB VAL 44 HB VAL 44 -1.272 3.050 -6.905 4 HG11 VAL 44 HG11 VAL 44 0.969 3.149 -7.856 5 HG12 VAL 44 HG12 VAL 44 1.552 3.921 -6.382 6 HG13 VAL 44 HG13 VAL 44 0.945 2.262 -6.328 7 HG21 VAL 44 HG21 VAL 44 -0.136 4.563 -4.573 8 HG22 VAL 44 HG22 VAL 44 -1.822 4.106 -4.808 9 HG23 VAL 44 HG23 VAL 44 -0.596 2.860 -4.567 No H/Q in entry = 9 In of MODEL 27 1 H GLU 45 H GLU 45 0.344 7.133 -6.172 2 HA GLU 45 HA GLU 45 2.648 6.959 -7.989 3 HB2 GLU 45 HB2 GLU 45 1.090 9.526 -7.592 4 HB3 GLU 45 HB3 GLU 45 2.536 9.330 -8.565 5 HG2 GLU 45 HG2 GLU 45 1.293 8.884 -10.340 6 HG3 GLU 45 HG3 GLU 45 0.568 7.499 -9.521 No H/Q in entry = 6 In of MODEL 27 1 H HIS 46 H HIS 46 4.235 6.684 -6.490 2 HA HIS 46 HA HIS 46 4.999 9.084 -5.087 3 HB2 HIS 46 HB2 HIS 46 3.501 7.290 -3.631 4 HB3 HIS 46 HB3 HIS 46 5.135 6.719 -3.320 5 HD2 HIS 46 HD2 HIS 46 6.437 9.819 -3.134 6 HE1 HIS 46 HE1 HIS 46 3.829 10.026 0.182 7 HE2 HIS 46 HE2 HIS 46 5.757 11.143 -1.018 No H/Q in entry = 7 In of MODEL 27 1 H SER 47 H SER 47 7.234 9.187 -5.046 2 HA SER 47 HA SER 47 8.772 6.722 -5.142 3 HB2 SER 47 HB2 SER 47 10.022 7.471 -7.233 4 HB3 SER 47 HB3 SER 47 8.396 6.833 -7.468 5 HG SER 47 HG SER 47 7.705 8.743 -8.075 No H/Q in entry = 5 In of MODEL 27 1 H ASP 48 H ASP 48 10.299 7.038 -3.660 2 HA ASP 48 HA ASP 48 12.041 9.348 -3.946 3 HB2 ASP 48 HB2 ASP 48 10.138 9.589 -2.052 4 HB3 ASP 48 HB3 ASP 48 11.320 8.644 -1.141 No H/Q in entry = 4 In of MODEL 27 1 H LEU 49 H LEU 49 14.194 8.776 -3.490 2 HA LEU 49 HA LEU 49 15.952 7.603 -2.744 3 HB2 LEU 49 HB2 LEU 49 13.881 5.953 -1.293 4 HB3 LEU 49 HB3 LEU 49 15.603 5.575 -1.252 5 HG LEU 49 HG LEU 49 15.950 7.980 -0.369 6 HD11 LEU 49 HD11 LEU 49 13.671 8.790 -0.852 7 HD12 LEU 49 HD12 LEU 49 13.053 7.706 0.399 8 HD13 LEU 49 HD13 LEU 49 14.157 9.010 0.827 9 HD21 LEU 49 HD21 LEU 49 16.222 5.905 0.996 10 HD22 LEU 49 HD22 LEU 49 15.708 7.319 1.913 11 HD23 LEU 49 HD23 LEU 49 14.534 6.069 1.502 No H/Q in entry = 11 In of MODEL 27 1 H SER 50 H SER 50 13.346 6.097 -4.390 2 HA SER 50 HA SER 50 14.200 3.640 -5.164 3 HB2 SER 50 HB2 SER 50 12.082 4.697 -5.895 4 HB3 SER 50 HB3 SER 50 12.987 5.729 -7.000 5 HG SER 50 HG SER 50 12.908 2.881 -7.077 No H/Q in entry = 5 In of MODEL 27 1 H PHE 51 H PHE 51 15.250 6.719 -6.571 2 HA PHE 51 HA PHE 51 17.612 5.301 -7.606 3 HB2 PHE 51 HB2 PHE 51 16.043 7.500 -8.959 4 HB3 PHE 51 HB3 PHE 51 17.648 6.996 -9.475 5 HD1 PHE 51 HD1 PHE 51 17.979 4.620 -10.234 6 HD2 PHE 51 HD2 PHE 51 14.128 6.329 -9.634 7 HE1 PHE 51 HE1 PHE 51 16.983 2.847 -11.617 8 HE2 PHE 51 HE2 PHE 51 13.124 4.558 -11.016 9 HZ PHE 51 HZ PHE 51 14.552 2.814 -12.009 No H/Q in entry = 9 In of MODEL 27 1 H SER 52 H SER 52 17.615 6.358 -5.093 2 HA SER 52 HA SER 52 19.580 8.480 -5.416 3 HB2 SER 52 HB2 SER 52 17.404 9.642 -5.075 4 HB3 SER 52 HB3 SER 52 17.234 8.811 -3.530 5 HG SER 52 HG SER 52 19.575 10.286 -4.056 No H/Q in entry = 5 In of MODEL 27 1 H LYS 53 H LYS 53 17.797 7.055 -2.653 2 HA LYS 53 HA LYS 53 20.395 6.220 -1.567 3 HB2 LYS 53 HB2 LYS 53 18.214 7.716 -0.106 4 HB3 LYS 53 HB3 LYS 53 19.567 6.930 0.698 5 HG2 LYS 53 HG2 LYS 53 21.128 8.365 -0.505 6 HG3 LYS 53 HG3 LYS 53 19.780 9.145 -1.331 7 HD2 LYS 53 HD2 LYS 53 18.944 10.013 0.762 8 HD3 LYS 53 HD3 LYS 53 20.181 9.128 1.659 9 HE2 LYS 53 HE2 LYS 53 21.924 10.438 0.619 10 HE3 LYS 53 HE3 LYS 53 20.742 11.260 -0.396 11 HZ1 LYS 53 HZ1 LYS 53 20.789 11.403 2.570 12 HZ2 LYS 53 HZ2 LYS 53 21.458 12.573 1.538 13 HZ3 LYS 53 HZ3 LYS 53 19.787 12.288 1.523 No H/Q in entry = 13 In of MODEL 27 1 H ASP 54 H ASP 54 20.075 4.755 0.397 2 HA ASP 54 HA ASP 54 17.920 2.848 -0.225 3 HB2 ASP 54 HB2 ASP 54 19.555 1.024 0.220 4 HB3 ASP 54 HB3 ASP 54 19.989 2.001 -1.176 No H/Q in entry = 4 In of MODEL 27 1 H TRP 55 H TRP 55 16.968 4.164 1.617 2 HA TRP 55 HA TRP 55 17.788 3.031 4.183 3 HB2 TRP 55 HB2 TRP 55 18.880 5.304 3.711 4 HB3 TRP 55 HB3 TRP 55 17.267 5.982 3.879 5 HD1 TRP 55 HD1 TRP 55 18.241 7.399 5.970 6 HE1 TRP 55 HE1 TRP 55 18.576 6.766 8.418 7 HE3 TRP 55 HE3 TRP 55 17.957 2.250 5.548 8 HZ2 TRP 55 HZ2 TRP 55 18.658 4.417 9.994 9 HZ3 TRP 55 HZ3 TRP 55 18.175 0.918 7.585 10 HH2 TRP 55 HH2 TRP 55 18.518 1.965 9.768 No H/Q in entry = 10 In of MODEL 27 1 H SER 56 H SER 56 16.067 2.383 5.324 2 HA SER 56 HA SER 56 13.424 3.224 4.383 3 HB2 SER 56 HB2 SER 56 14.115 0.762 4.447 4 HB3 SER 56 HB3 SER 56 13.999 0.895 6.201 5 HG SER 56 HG SER 56 11.976 1.060 4.256 No H/Q in entry = 5 In of MODEL 27 1 H PHE 57 H PHE 57 12.557 4.906 5.685 2 HA PHE 57 HA PHE 57 12.618 4.497 8.567 3 HB2 PHE 57 HB2 PHE 57 13.094 7.018 8.751 4 HB3 PHE 57 HB3 PHE 57 14.456 5.990 8.312 5 HD1 PHE 57 HD1 PHE 57 12.012 8.441 7.039 6 HD2 PHE 57 HD2 PHE 57 15.504 6.163 6.179 7 HE1 PHE 57 HE1 PHE 57 12.370 9.767 4.993 8 HE2 PHE 57 HE2 PHE 57 15.867 7.486 4.134 9 HZ PHE 57 HZ PHE 57 14.300 9.288 3.539 No H/Q in entry = 9 In of MODEL 27 1 H TYR 58 H TYR 58 10.772 4.493 6.112 2 HA TYR 58 HA TYR 58 8.352 5.261 6.679 3 HB2 TYR 58 HB2 TYR 58 9.179 7.406 7.603 4 HB3 TYR 58 HB3 TYR 58 9.753 7.865 6.009 5 HD1 TYR 58 HD1 TYR 58 6.532 6.546 7.435 6 HD2 TYR 58 HD2 TYR 58 8.421 9.474 4.981 7 HE1 TYR 58 HE1 TYR 58 4.334 7.576 6.979 8 HE2 TYR 58 HE2 TYR 58 6.224 10.512 4.518 9 HH TYR 58 HH TYR 58 3.443 9.748 6.302 No H/Q in entry = 9 In of MODEL 27 1 H LEU 59 H LEU 59 8.492 3.709 4.837 2 HA LEU 59 HA LEU 59 8.389 5.106 2.244 3 HB2 LEU 59 HB2 LEU 59 8.781 2.281 3.105 4 HB3 LEU 59 HB3 LEU 59 7.951 2.547 1.590 5 HG LEU 59 HG LEU 59 10.721 3.628 2.156 6 HD11 LEU 59 HD11 LEU 59 10.646 1.169 2.317 7 HD12 LEU 59 HD12 LEU 59 9.950 1.113 0.698 8 HD13 LEU 59 HD13 LEU 59 11.574 1.744 0.937 9 HD21 LEU 59 HD21 LEU 59 8.981 3.382 -0.287 10 HD22 LEU 59 HD22 LEU 59 9.736 4.840 0.368 11 HD23 LEU 59 HD23 LEU 59 10.728 3.602 -0.391 No H/Q in entry = 11 In of MODEL 27 1 H LEU 60 H LEU 60 6.433 5.722 1.509 2 HA LEU 60 HA LEU 60 4.093 4.081 2.087 3 HB2 LEU 60 HB2 LEU 60 4.097 5.662 3.860 4 HB3 LEU 60 HB3 LEU 60 4.530 6.972 2.790 5 HG LEU 60 HG LEU 60 2.277 6.794 1.739 6 HD11 LEU 60 HD11 LEU 60 1.826 4.463 2.299 7 HD12 LEU 60 HD12 LEU 60 1.745 4.887 4.008 8 HD13 LEU 60 HD13 LEU 60 0.547 5.528 2.885 9 HD21 LEU 60 HD21 LEU 60 2.346 7.275 4.714 10 HD22 LEU 60 HD22 LEU 60 2.720 8.451 3.454 11 HD23 LEU 60 HD23 LEU 60 1.079 7.823 3.616 No H/Q in entry = 11 In of MODEL 27 1 H TYR 61 H TYR 61 2.457 4.296 0.553 2 HA TYR 61 HA TYR 61 2.900 6.132 -1.710 3 HB2 TYR 61 HB2 TYR 61 2.092 3.195 -1.798 4 HB3 TYR 61 HB3 TYR 61 1.942 4.279 -3.190 5 HD1 TYR 61 HD1 TYR 61 4.518 3.020 -0.756 6 HD2 TYR 61 HD2 TYR 61 3.716 4.476 -4.671 7 HE1 TYR 61 HE1 TYR 61 6.852 2.553 -1.412 8 HE2 TYR 61 HE2 TYR 61 6.036 4.004 -5.332 9 HH TYR 61 HH TYR 61 8.127 2.110 -3.481 No H/Q in entry = 9 In of MODEL 27 1 H TYR 62 H TYR 62 0.788 6.558 -2.962 2 HA TYR 62 HA TYR 62 -1.544 6.160 -1.240 3 HB2 TYR 62 HB2 TYR 62 -2.240 8.543 -1.544 4 HB3 TYR 62 HB3 TYR 62 -0.849 8.295 -0.506 5 HD1 TYR 62 HD1 TYR 62 -1.858 9.435 -3.916 6 HD2 TYR 62 HD2 TYR 62 1.202 9.390 -0.954 7 HE1 TYR 62 HE1 TYR 62 -0.632 11.154 -5.166 8 HE2 TYR 62 HE2 TYR 62 2.440 11.102 -2.214 9 HH TYR 62 HH TYR 62 1.045 12.871 -4.760 No H/Q in entry = 9 In of MODEL 27 1 H THR 63 H THR 63 -3.481 5.951 -2.208 2 HA THR 63 HA THR 63 -3.801 6.598 -5.045 3 HB THR 63 HB THR 63 -3.150 4.074 -4.646 4 HG1 THR 63 HG1 THR 63 -4.217 5.210 -6.553 5 HG21 THR 63 HG21 THR 63 -4.792 3.648 -2.871 6 HG22 THR 63 HG22 THR 63 -6.090 4.034 -3.999 7 HG23 THR 63 HG23 THR 63 -5.072 2.623 -4.278 No H/Q in entry = 7 In of MODEL 27 1 H GLU 64 H GLU 64 -5.990 7.006 -5.611 2 HA GLU 64 HA GLU 64 -7.749 7.840 -3.548 3 HB2 GLU 64 HB2 GLU 64 -7.749 8.823 -5.875 4 HB3 GLU 64 HB3 GLU 64 -8.377 7.297 -6.474 5 HG2 GLU 64 HG2 GLU 64 -10.364 7.628 -4.959 6 HG3 GLU 64 HG3 GLU 64 -9.737 9.238 -4.607 No H/Q in entry = 6 In of MODEL 27 1 H PHE 65 H PHE 65 -9.418 6.711 -2.515 2 HA PHE 65 HA PHE 65 -10.302 4.246 -3.834 3 HB2 PHE 65 HB2 PHE 65 -10.241 2.976 -1.842 4 HB3 PHE 65 HB3 PHE 65 -8.715 3.820 -1.949 5 HD1 PHE 65 HD1 PHE 65 -7.857 4.376 0.064 6 HD2 PHE 65 HD2 PHE 65 -12.058 4.668 -0.488 7 HE1 PHE 65 HE1 PHE 65 -8.114 5.160 2.392 8 HE2 PHE 65 HE2 PHE 65 -12.307 5.459 1.831 9 HZ PHE 65 HZ PHE 65 -10.353 5.696 3.273 No H/Q in entry = 9 In of MODEL 27 1 H THR 66 H THR 66 -12.439 3.596 -3.444 2 HA THR 66 HA THR 66 -14.022 5.202 -1.557 3 HB THR 66 HB THR 66 -14.915 4.367 -4.345 4 HG1 THR 66 HG1 THR 66 -13.764 6.647 -3.287 5 HG21 THR 66 HG21 THR 66 -16.371 5.890 -2.164 6 HG22 THR 66 HG22 THR 66 -16.924 5.740 -3.834 7 HG23 THR 66 HG23 THR 66 -16.797 4.305 -2.821 No H/Q in entry = 7 In of MODEL 27 1 HA PRO 67 HA PRO 67 -14.609 0.860 -0.397 2 HB2 PRO 67 HB2 PRO 67 -16.026 1.529 1.957 3 HB3 PRO 67 HB3 PRO 67 -14.331 1.087 1.825 4 HG2 PRO 67 HG2 PRO 67 -15.384 3.644 2.486 5 HG3 PRO 67 HG3 PRO 67 -13.690 3.193 2.236 6 HD2 PRO 67 HD2 PRO 67 -15.486 4.673 0.489 7 HD3 PRO 67 HD3 PRO 67 -13.723 4.518 0.409 No H/Q in entry = 7 In of MODEL 27 1 H THR 68 H THR 68 -16.060 -0.488 -0.816 2 HA THR 68 HA THR 68 -18.891 0.282 -0.959 3 HB THR 68 HB THR 68 -19.135 -0.989 -3.024 4 HG1 THR 68 HG1 THR 68 -16.697 -1.552 -3.806 5 HG21 THR 68 HG21 THR 68 -18.409 1.344 -3.276 6 HG22 THR 68 HG22 THR 68 -16.726 0.814 -3.250 7 HG23 THR 68 HG23 THR 68 -17.784 0.320 -4.571 No H/Q in entry = 7 In of MODEL 27 1 H GLU 69 H GLU 69 -20.293 -1.735 -0.812 2 HA GLU 69 HA GLU 69 -19.458 -3.527 1.165 3 HB2 GLU 69 HB2 GLU 69 -21.759 -3.184 0.859 4 HB3 GLU 69 HB3 GLU 69 -21.705 -3.551 -0.855 5 HG2 GLU 69 HG2 GLU 69 -22.695 -5.423 0.076 6 HG3 GLU 69 HG3 GLU 69 -21.001 -5.894 -0.129 No H/Q in entry = 6 In of MODEL 27 1 H LYS 70 H LYS 70 -18.237 -3.404 -1.924 2 HA LYS 70 HA LYS 70 -17.902 -6.313 -2.107 3 HB2 LYS 70 HB2 LYS 70 -17.810 -4.235 -4.290 4 HB3 LYS 70 HB3 LYS 70 -17.529 -5.949 -4.531 5 HG2 LYS 70 HG2 LYS 70 -20.124 -5.065 -3.325 6 HG3 LYS 70 HG3 LYS 70 -19.856 -4.873 -5.059 7 HD2 LYS 70 HD2 LYS 70 -20.728 -6.961 -5.102 8 HD3 LYS 70 HD3 LYS 70 -19.049 -7.405 -4.803 9 HE2 LYS 70 HE2 LYS 70 -20.481 -8.640 -3.312 10 HE3 LYS 70 HE3 LYS 70 -19.549 -7.475 -2.378 11 HZ1 LYS 70 HZ1 LYS 70 -22.319 -6.972 -3.315 12 HZ2 LYS 70 HZ2 LYS 70 -21.954 -7.622 -1.793 13 HZ3 LYS 70 HZ3 LYS 70 -21.428 -6.066 -2.198 No H/Q in entry = 13 In of MODEL 27 1 H ASP 71 H ASP 71 -15.940 -3.314 -2.135 2 HA ASP 71 HA ASP 71 -13.748 -4.882 -3.236 3 HB2 ASP 71 HB2 ASP 71 -13.905 -1.890 -2.842 4 HB3 ASP 71 HB3 ASP 71 -12.661 -2.766 -3.700 No H/Q in entry = 4 In of MODEL 27 1 H GLU 72 H GLU 72 -12.111 -5.534 -2.085 2 HA GLU 72 HA GLU 72 -11.555 -4.679 0.685 3 HB2 GLU 72 HB2 GLU 72 -11.714 -7.080 0.225 4 HB3 GLU 72 HB3 GLU 72 -10.515 -6.949 -1.051 5 HG2 GLU 72 HG2 GLU 72 -8.864 -6.220 0.726 6 HG3 GLU 72 HG3 GLU 72 -10.091 -6.662 1.914 No H/Q in entry = 6 In of MODEL 27 1 H TYR 73 H TYR 73 -9.396 -3.890 1.184 2 HA TYR 73 HA TYR 73 -7.760 -3.189 -1.172 3 HB2 TYR 73 HB2 TYR 73 -8.278 -1.528 1.312 4 HB3 TYR 73 HB3 TYR 73 -7.052 -1.141 0.115 5 HD1 TYR 73 HD1 TYR 73 -7.623 0.011 -1.883 6 HD2 TYR 73 HD2 TYR 73 -10.700 -1.579 0.599 7 HE1 TYR 73 HE1 TYR 73 -9.316 1.209 -3.210 8 HE2 TYR 73 HE2 TYR 73 -12.389 -0.372 -0.744 9 HH TYR 73 HH TYR 73 -12.596 1.471 -2.234 No H/Q in entry = 9 In of MODEL 27 1 H ALA 74 H ALA 74 -5.649 -3.714 -1.154 2 HA ALA 74 HA ALA 74 -4.412 -4.650 1.346 3 HB1 ALA 74 HB1 ALA 74 -5.279 -6.594 0.181 4 HB2 ALA 74 HB2 ALA 74 -3.519 -6.583 0.133 5 HB3 ALA 74 HB3 ALA 74 -4.446 -6.105 -1.296 No H/Q in entry = 5 In of MODEL 27 1 H CYS 75 H CYS 75 -1.993 -4.676 1.266 2 HA CYS 75 HA CYS 75 -0.964 -3.307 -1.114 3 HB2 CYS 75 HB2 CYS 75 0.590 -1.986 0.170 4 HB3 CYS 75 HB3 CYS 75 -0.968 -1.765 0.889 No H/Q in entry = 4 In of MODEL 27 1 H ARG 76 H ARG 76 0.601 -4.300 -2.186 2 HA ARG 76 HA ARG 76 1.618 -6.850 -1.136 3 HB2 ARG 76 HB2 ARG 76 0.341 -6.535 -3.379 4 HB3 ARG 76 HB3 ARG 76 1.857 -5.867 -3.968 5 HG2 ARG 76 HG2 ARG 76 2.950 -7.962 -3.736 6 HG3 ARG 76 HG3 ARG 76 1.644 -8.623 -2.751 7 HD2 ARG 76 HD2 ARG 76 1.544 -9.526 -5.052 8 HD3 ARG 76 HD3 ARG 76 0.128 -8.538 -4.682 9 HE ARG 76 HE ARG 76 2.106 -6.917 -5.885 10 HH11 ARG 76 HH11 ARG 76 -0.100 -9.516 -6.706 11 HH12 ARG 76 HH12 ARG 76 -0.269 -9.014 -8.360 12 HH21 ARG 76 HH21 ARG 76 1.900 -6.276 -8.052 13 HH22 ARG 76 HH22 ARG 76 0.890 -7.185 -9.135 No H/Q in entry = 13 In of MODEL 27 1 H VAL 77 H VAL 77 3.802 -7.077 -0.673 2 HA VAL 77 HA VAL 77 5.635 -5.205 -2.013 3 HB VAL 77 HB VAL 77 5.102 -4.569 0.446 4 HG11 VAL 77 HG11 VAL 77 5.393 -6.813 1.383 5 HG12 VAL 77 HG12 VAL 77 7.092 -6.787 0.910 6 HG13 VAL 77 HG13 VAL 77 6.492 -5.646 2.114 7 HG21 VAL 77 HG21 VAL 77 6.845 -3.570 -0.953 8 HG22 VAL 77 HG22 VAL 77 7.341 -3.712 0.736 9 HG23 VAL 77 HG23 VAL 77 7.954 -4.851 -0.460 No H/Q in entry = 9 In of MODEL 27 1 H ASN 78 H ASN 78 7.439 -5.967 -2.756 2 HA ASN 78 HA ASN 78 8.407 -8.613 -1.855 3 HB2 ASN 78 HB2 ASN 78 7.222 -8.705 -4.098 4 HB3 ASN 78 HB3 ASN 78 8.526 -7.704 -4.733 5 HD21 ASN 78 HD21 ASN 78 9.236 -9.293 -6.148 6 HD22 ASN 78 HD22 ASN 78 10.049 -10.721 -5.609 No H/Q in entry = 6 In of MODEL 27 1 H HIS 79 H HIS 79 10.543 -8.904 -1.688 2 HA HIS 79 HA HIS 79 12.355 -6.778 -2.567 3 HB2 HIS 79 HB2 HIS 79 11.863 -6.540 -0.104 4 HB3 HIS 79 HB3 HIS 79 12.536 -8.143 0.133 5 HD2 HIS 79 HD2 HIS 79 13.701 -4.495 -0.453 6 HE1 HIS 79 HE1 HIS 79 17.110 -6.933 0.102 7 HE2 HIS 79 HE2 HIS 79 16.289 -4.574 -0.312 No H/Q in entry = 7 In of MODEL 27 1 H VAL 80 H VAL 80 14.607 -7.566 -2.732 2 HA VAL 80 HA VAL 80 14.841 -9.909 -4.200 3 HB VAL 80 HB VAL 80 17.076 -8.640 -2.609 4 HG11 VAL 80 HG11 VAL 80 17.661 -10.836 -3.493 5 HG12 VAL 80 HG12 VAL 80 17.150 -10.337 -5.106 6 HG13 VAL 80 HG13 VAL 80 18.542 -9.565 -4.344 7 HG21 VAL 80 HG21 VAL 80 16.041 -7.986 -5.363 8 HG22 VAL 80 HG22 VAL 80 16.018 -6.942 -3.943 9 HG23 VAL 80 HG23 VAL 80 17.553 -7.379 -4.689 No H/Q in entry = 9 In of MODEL 27 1 H THR 81 H THR 81 14.817 -9.532 -0.749 2 HA THR 81 HA THR 81 16.157 -12.031 -0.219 3 HB THR 81 HB THR 81 16.325 -10.392 1.516 4 HG1 THR 81 HG1 THR 81 16.254 -12.023 2.818 5 HG21 THR 81 HG21 THR 81 13.301 -10.438 1.673 6 HG22 THR 81 HG22 THR 81 14.374 -9.579 2.779 7 HG23 THR 81 HG23 THR 81 14.294 -9.105 1.084 No H/Q in entry = 7 In of MODEL 27 1 H LEU 82 H LEU 82 12.716 -11.001 0.059 2 HA LEU 82 HA LEU 82 11.736 -13.628 0.432 3 HB2 LEU 82 HB2 LEU 82 10.188 -11.453 -0.962 4 HB3 LEU 82 HB3 LEU 82 9.571 -12.780 0.003 5 HG LEU 82 HG LEU 82 11.124 -10.455 1.123 6 HD11 LEU 82 HD11 LEU 82 8.179 -11.011 1.016 7 HD12 LEU 82 HD12 LEU 82 8.928 -9.787 2.039 8 HD13 LEU 82 HD13 LEU 82 9.050 -9.661 0.286 9 HD21 LEU 82 HD21 LEU 82 11.328 -12.512 2.439 10 HD22 LEU 82 HD22 LEU 82 10.363 -11.299 3.282 11 HD23 LEU 82 HD23 LEU 82 9.571 -12.655 2.479 No H/Q in entry = 11 In of MODEL 27 1 H SER 83 H SER 83 10.862 -15.102 -1.037 2 HA SER 83 HA SER 83 11.500 -14.636 -3.872 3 HB2 SER 83 HB2 SER 83 12.336 -16.725 -2.712 4 HB3 SER 83 HB3 SER 83 10.655 -17.233 -2.557 5 HG SER 83 HG SER 83 11.836 -16.545 -5.040 No H/Q in entry = 5 In of MODEL 27 1 H GLN 84 H GLN 84 9.079 -14.296 -1.718 2 HA GLN 84 HA GLN 84 7.037 -14.234 -3.783 3 HB2 GLN 84 HB2 GLN 84 5.397 -15.443 -2.373 4 HB3 GLN 84 HB3 GLN 84 6.752 -16.459 -2.835 5 HG2 GLN 84 HG2 GLN 84 6.687 -15.049 -0.190 6 HG3 GLN 84 HG3 GLN 84 5.867 -16.587 -0.433 7 HE21 GLN 84 HE21 GLN 84 7.860 -17.631 -2.258 8 HE22 GLN 84 HE22 GLN 84 9.240 -18.029 -1.290 No H/Q in entry = 8 In of MODEL 27 1 HA PRO 85 HA PRO 85 6.347 -10.448 -1.363 2 HB2 PRO 85 HB2 PRO 85 4.208 -9.541 -2.813 3 HB3 PRO 85 HB3 PRO 85 5.908 -9.244 -3.232 4 HG2 PRO 85 HG2 PRO 85 3.986 -11.230 -4.366 5 HG3 PRO 85 HG3 PRO 85 5.269 -10.305 -5.180 6 HD2 PRO 85 HD2 PRO 85 5.527 -12.973 -4.501 7 HD3 PRO 85 HD3 PRO 85 6.921 -11.846 -4.607 No H/Q in entry = 7 In of MODEL 27 1 H LYS 86 H LYS 86 4.636 -9.573 -0.068 2 HA LYS 86 HA LYS 86 2.590 -11.590 0.601 3 HB2 LYS 86 HB2 LYS 86 3.655 -9.388 2.391 4 HB3 LYS 86 HB3 LYS 86 2.523 -10.650 2.847 5 HG2 LYS 86 HG2 LYS 86 4.256 -12.319 2.814 6 HG3 LYS 86 HG3 LYS 86 5.369 -11.206 2.011 7 HD2 LYS 86 HD2 LYS 86 5.719 -9.964 3.949 8 HD3 LYS 86 HD3 LYS 86 4.249 -10.553 4.726 9 HE2 LYS 86 HE2 LYS 86 6.075 -11.599 5.814 10 HE3 LYS 86 HE3 LYS 86 5.319 -12.823 4.797 11 HZ1 LYS 86 HZ1 LYS 86 7.767 -11.293 4.116 12 HZ2 LYS 86 HZ2 LYS 86 7.722 -12.898 4.658 13 HZ3 LYS 86 HZ3 LYS 86 7.052 -12.490 3.155 No H/Q in entry = 13 In of MODEL 27 1 H ILE 87 H ILE 87 0.542 -10.958 1.055 2 HA ILE 87 HA ILE 87 -0.168 -8.184 0.340 3 HB ILE 87 HB ILE 87 -1.561 -10.692 -0.292 4 HG12 ILE 87 HG12 ILE 87 -0.926 -9.415 -2.144 5 HG13 ILE 87 HG13 ILE 87 -2.637 -9.007 -1.967 6 HG21 ILE 87 HG21 ILE 87 -3.137 -8.357 0.773 7 HG22 ILE 87 HG22 ILE 87 -3.824 -9.671 -0.187 8 HG23 ILE 87 HG23 ILE 87 -3.117 -10.009 1.396 9 HD11 ILE 87 HD11 ILE 87 -0.353 -7.355 -0.950 10 HD12 ILE 87 HD12 ILE 87 -1.277 -7.053 -2.419 11 HD13 ILE 87 HD13 ILE 87 -2.067 -6.962 -0.849 No H/Q in entry = 11 In of MODEL 27 1 H VAL 88 H VAL 88 -1.002 -6.890 1.783 2 HA VAL 88 HA VAL 88 -1.928 -7.997 4.352 3 HB VAL 88 HB VAL 88 0.119 -6.637 4.556 4 HG11 VAL 88 HG11 VAL 88 -0.248 -5.261 2.600 5 HG12 VAL 88 HG12 VAL 88 -1.472 -4.370 3.510 6 HG13 VAL 88 HG13 VAL 88 0.211 -4.354 4.042 7 HG21 VAL 88 HG21 VAL 88 -2.375 -5.449 5.709 8 HG22 VAL 88 HG22 VAL 88 -1.239 -6.546 6.494 9 HG23 VAL 88 HG23 VAL 88 -0.763 -4.876 6.145 No H/Q in entry = 9 In of MODEL 27 1 H LYS 89 H LYS 89 -4.058 -7.595 4.753 2 HA LYS 89 HA LYS 89 -5.321 -5.685 2.917 3 HB2 LYS 89 HB2 LYS 89 -6.639 -8.037 4.247 4 HB3 LYS 89 HB3 LYS 89 -7.304 -7.015 2.976 5 HG2 LYS 89 HG2 LYS 89 -5.982 -7.973 1.342 6 HG3 LYS 89 HG3 LYS 89 -4.769 -8.486 2.513 7 HD2 LYS 89 HD2 LYS 89 -7.531 -9.640 2.480 8 HD3 LYS 89 HD3 LYS 89 -6.205 -10.319 1.528 9 HE2 LYS 89 HE2 LYS 89 -6.026 -9.828 4.484 10 HE3 LYS 89 HE3 LYS 89 -6.580 -11.361 3.804 11 HZ1 LYS 89 HZ1 LYS 89 -4.427 -11.465 2.596 12 HZ2 LYS 89 HZ2 LYS 89 -3.915 -10.103 3.464 13 HZ3 LYS 89 HZ3 LYS 89 -4.264 -11.541 4.281 No H/Q in entry = 13 In of MODEL 27 1 H TRP 90 H TRP 90 -6.834 -4.284 3.657 2 HA TRP 90 HA TRP 90 -6.363 -3.423 6.355 3 HB2 TRP 90 HB2 TRP 90 -6.489 -1.758 4.567 4 HB3 TRP 90 HB3 TRP 90 -8.123 -2.285 4.179 5 HD1 TRP 90 HD1 TRP 90 -6.620 -1.171 7.620 6 HE1 TRP 90 HE1 TRP 90 -8.103 0.672 8.559 7 HE3 TRP 90 HE3 TRP 90 -9.962 -0.733 3.719 8 HZ2 TRP 90 HZ2 TRP 90 -10.437 2.068 7.828 9 HZ3 TRP 90 HZ3 TRP 90 -11.788 0.884 3.930 10 HH2 TRP 90 HH2 TRP 90 -12.029 2.274 5.921 No H/Q in entry = 10 In of MODEL 27 1 H ASP 91 H ASP 91 -7.582 -3.693 8.098 2 HA ASP 91 HA ASP 91 -9.586 -5.710 8.093 3 HB2 ASP 91 HB2 ASP 91 -9.773 -5.238 10.511 4 HB3 ASP 91 HB3 ASP 91 -8.095 -5.429 10.013 No H/Q in entry = 4 In of MODEL 27 1 H ARG 92 H ARG 92 -11.419 -5.235 6.994 2 HA ARG 92 HA ARG 92 -13.386 -3.711 8.291 3 HB2 ARG 92 HB2 ARG 92 -13.498 -1.682 7.151 4 HB3 ARG 92 HB3 ARG 92 -11.762 -1.964 7.119 5 HG2 ARG 92 HG2 ARG 92 -12.160 -1.353 4.938 6 HG3 ARG 92 HG3 ARG 92 -12.206 -3.115 4.818 7 HD2 ARG 92 HD2 ARG 92 -14.714 -2.943 5.067 8 HD3 ARG 92 HD3 ARG 92 -14.540 -1.190 4.862 9 HE ARG 92 HE ARG 92 -13.241 -2.458 2.750 10 HH11 ARG 92 HH11 ARG 92 -16.461 -1.929 4.004 11 HH12 ARG 92 HH12 ARG 92 -17.235 -2.269 2.485 12 HH21 ARG 92 HH21 ARG 92 -14.263 -2.912 0.759 13 HH22 ARG 92 HH22 ARG 92 -15.996 -2.816 0.657 No H/Q in entry = 13 In of MODEL 27 1 H ASP 93 H ASP 93 -12.297 -5.829 6.028 2 HA ASP 93 HA ASP 93 -14.842 -6.654 5.066 3 HB2 ASP 93 HB2 ASP 93 -14.394 -4.614 3.660 4 HB3 ASP 93 HB3 ASP 93 -12.984 -5.451 3.011 No H/Q in entry = 4 In of MODEL 27 1 HA MET 94 HA MET 94 -10.863 -9.078 3.811 2 HB2 MET 94 HB2 MET 94 -9.426 -9.851 6.016 3 HB3 MET 94 HB3 MET 94 -8.946 -8.609 4.868 4 HG2 MET 94 HG2 MET 94 -8.734 -7.978 7.301 5 HG3 MET 94 HG3 MET 94 -9.650 -6.836 6.313 6 HE1 MET 94 HE1 MET 94 -10.588 -10.295 8.022 7 HE2 MET 94 HE2 MET 94 -9.640 -9.410 9.218 8 HE3 MET 94 HE3 MET 94 -11.356 -9.706 9.497 No H/Q in entry = 8 In of MODEL 28 1 HA MET 1 HA MET 1 3.992 -8.565 6.384 2 HB2 MET 1 HB2 MET 1 4.239 -9.517 8.631 3 HB3 MET 1 HB3 MET 1 4.756 -7.953 9.245 4 HG2 MET 1 HG2 MET 1 2.425 -8.433 9.793 5 HG3 MET 1 HG3 MET 1 2.585 -7.005 8.773 6 HE1 MET 1 HE1 MET 1 2.837 -10.787 7.704 7 HE2 MET 1 HE2 MET 1 1.561 -10.795 8.921 8 HE3 MET 1 HE3 MET 1 1.171 -11.123 7.233 No H/Q in entry = 8 In of MODEL 28 1 H ILE 2 H ILE 2 2.792 -6.862 5.848 2 HA ILE 2 HA ILE 2 3.935 -4.173 6.219 3 HB ILE 2 HB ILE 2 1.682 -4.925 4.337 4 HG12 ILE 2 HG12 ILE 2 4.462 -4.666 3.264 5 HG13 ILE 2 HG13 ILE 2 3.985 -6.194 4.011 6 HG21 ILE 2 HG21 ILE 2 2.087 -2.526 4.847 7 HG22 ILE 2 HG22 ILE 2 3.684 -2.685 4.116 8 HG23 ILE 2 HG23 ILE 2 2.239 -2.938 3.140 9 HD11 ILE 2 HD11 ILE 2 2.586 -4.842 1.708 10 HD12 ILE 2 HD12 ILE 2 3.656 -6.244 1.600 11 HD13 ILE 2 HD13 ILE 2 2.115 -6.370 2.450 No H/Q in entry = 11 In of MODEL 28 1 H GLN 3 H GLN 3 2.501 -2.481 6.991 2 HA GLN 3 HA GLN 3 0.000 -3.515 8.132 3 HB2 GLN 3 HB2 GLN 3 1.899 -1.475 9.335 4 HB3 GLN 3 HB3 GLN 3 0.320 -1.893 9.996 5 HG2 GLN 3 HG2 GLN 3 1.959 -3.070 11.254 6 HG3 GLN 3 HG3 GLN 3 1.111 -4.269 10.263 7 HE21 GLN 3 HE21 GLN 3 3.654 -2.017 9.238 8 HE22 GLN 3 HE22 GLN 3 4.825 -3.238 8.878 No H/Q in entry = 8 In of MODEL 28 1 H VAL 4 H VAL 4 -1.543 -2.753 6.848 2 HA VAL 4 HA VAL 4 -1.333 -0.084 5.701 3 HB VAL 4 HB VAL 4 -3.578 -0.725 4.605 4 HG11 VAL 4 HG11 VAL 4 -1.097 -2.333 4.010 5 HG12 VAL 4 HG12 VAL 4 -2.462 -2.113 2.917 6 HG13 VAL 4 HG13 VAL 4 -1.482 -0.726 3.392 7 HG21 VAL 4 HG21 VAL 4 -4.123 -2.531 6.179 8 HG22 VAL 4 HG22 VAL 4 -4.095 -3.088 4.505 9 HG23 VAL 4 HG23 VAL 4 -2.747 -3.456 5.582 No H/Q in entry = 9 In of MODEL 28 1 H TYR 5 H TYR 5 -3.003 1.440 5.804 2 HA TYR 5 HA TYR 5 -4.952 1.330 7.952 3 HB2 TYR 5 HB2 TYR 5 -2.646 3.294 7.966 4 HB3 TYR 5 HB3 TYR 5 -4.131 3.550 8.871 5 HD1 TYR 5 HD1 TYR 5 -4.685 1.065 10.217 6 HD2 TYR 5 HD2 TYR 5 -0.896 2.815 9.365 7 HE1 TYR 5 HE1 TYR 5 -3.694 -0.150 12.128 8 HE2 TYR 5 HE2 TYR 5 0.099 1.616 11.258 9 HH TYR 5 HH TYR 5 -0.568 0.579 13.336 No H/Q in entry = 9 In of MODEL 28 1 H SER 6 H SER 6 -5.944 3.715 8.035 2 HA SER 6 HA SER 6 -5.749 5.023 5.417 3 HB2 SER 6 HB2 SER 6 -8.343 4.505 6.904 4 HB3 SER 6 HB3 SER 6 -8.167 5.427 5.405 5 HG SER 6 HG SER 6 -7.061 2.916 5.298 No H/Q in entry = 5 In of MODEL 28 1 H ARG 7 H ARG 7 -6.519 7.274 5.482 2 HA ARG 7 HA ARG 7 -5.586 8.538 7.932 3 HB2 ARG 7 HB2 ARG 7 -5.198 9.178 5.323 4 HB3 ARG 7 HB3 ARG 7 -6.570 10.219 5.687 5 HG2 ARG 7 HG2 ARG 7 -4.050 10.185 7.327 6 HG3 ARG 7 HG3 ARG 7 -4.304 11.258 5.951 7 HD2 ARG 7 HD2 ARG 7 -6.253 12.220 7.045 8 HD3 ARG 7 HD3 ARG 7 -6.047 11.122 8.409 9 HE ARG 7 HE ARG 7 -3.655 12.490 8.164 10 HH11 ARG 7 HH11 ARG 7 -7.016 13.320 8.746 11 HH12 ARG 7 HH12 ARG 7 -6.640 14.749 9.662 12 HH21 ARG 7 HH21 ARG 7 -3.162 14.356 9.409 13 HH22 ARG 7 HH22 ARG 7 -4.460 15.313 10.063 No H/Q in entry = 13 In of MODEL 28 1 H HIS 8 H HIS 8 -8.540 7.699 6.478 2 HA HIS 8 HA HIS 8 -10.034 9.478 8.280 3 HB2 HIS 8 HB2 HIS 8 -10.808 8.870 5.412 4 HB3 HIS 8 HB3 HIS 8 -11.682 9.908 6.534 5 HD2 HIS 8 HD2 HIS 8 -9.879 12.170 7.398 6 HE1 HIS 8 HE1 HIS 8 -8.249 12.268 3.493 7 HE2 HIS 8 HE2 HIS 8 -8.305 13.423 5.750 No H/Q in entry = 7 In of MODEL 28 1 HA PRO 9 HA PRO 9 -12.419 5.843 9.274 2 HB2 PRO 9 HB2 PRO 9 -14.933 7.336 9.158 3 HB3 PRO 9 HB3 PRO 9 -14.111 6.635 10.563 4 HG2 PRO 9 HG2 PRO 9 -14.272 9.318 10.149 5 HG3 PRO 9 HG3 PRO 9 -12.873 8.562 10.941 6 HD2 PRO 9 HD2 PRO 9 -13.179 9.500 8.108 7 HD3 PRO 9 HD3 PRO 9 -11.792 9.700 9.206 No H/Q in entry = 7 In of MODEL 28 1 H ALA 10 H ALA 10 -13.241 4.188 8.086 2 HA ALA 10 HA ALA 10 -13.694 4.253 5.376 3 HB1 ALA 10 HB1 ALA 10 -14.687 2.026 5.654 4 HB2 ALA 10 HB2 ALA 10 -13.256 2.209 6.667 5 HB3 ALA 10 HB3 ALA 10 -14.861 2.318 7.383 No H/Q in entry = 5 In of MODEL 28 1 H GLU 11 H GLU 11 -15.190 5.721 4.487 2 HA GLU 11 HA GLU 11 -17.967 5.314 5.387 3 HB2 GLU 11 HB2 GLU 11 -16.555 7.637 4.151 4 HB3 GLU 11 HB3 GLU 11 -18.274 7.442 3.849 5 HG2 GLU 11 HG2 GLU 11 -16.972 7.689 6.558 6 HG3 GLU 11 HG3 GLU 11 -17.873 8.937 5.710 No H/Q in entry = 6 In of MODEL 28 1 H ASN 12 H ASN 12 -19.284 4.176 4.109 2 HA ASN 12 HA ASN 12 -18.337 3.062 1.650 3 HB2 ASN 12 HB2 ASN 12 -20.827 2.790 3.354 4 HB3 ASN 12 HB3 ASN 12 -20.835 2.089 1.747 5 HD21 ASN 12 HD21 ASN 12 -21.062 0.045 2.602 6 HD22 ASN 12 HD22 ASN 12 -19.768 -0.795 3.389 No H/Q in entry = 6 In of MODEL 28 1 H GLY 13 H GLY 13 -18.082 4.510 0.093 2 HA2 GLY 13 HA2 GLY 13 -20.518 5.922 -0.848 3 HA3 GLY 13 HA3 GLY 13 -19.399 5.134 -1.949 No H/Q in entry = 3 In of MODEL 28 1 H LYS 14 H LYS 14 -17.499 6.614 0.423 2 HA LYS 14 HA LYS 14 -17.142 8.793 -1.547 3 HB2 LYS 14 HB2 LYS 14 -16.813 10.452 0.128 4 HB3 LYS 14 HB3 LYS 14 -18.321 9.633 0.481 5 HG2 LYS 14 HG2 LYS 14 -17.367 9.896 2.550 6 HG3 LYS 14 HG3 LYS 14 -16.953 8.233 2.133 7 HD2 LYS 14 HD2 LYS 14 -15.021 9.277 3.103 8 HD3 LYS 14 HD3 LYS 14 -14.713 9.055 1.387 9 HE2 LYS 14 HE2 LYS 14 -13.952 11.238 2.265 10 HE3 LYS 14 HE3 LYS 14 -15.117 11.392 0.959 11 HZ1 LYS 14 HZ1 LYS 14 -16.844 11.694 2.731 12 HZ2 LYS 14 HZ2 LYS 14 -15.583 11.777 3.862 13 HZ3 LYS 14 HZ3 LYS 14 -15.695 12.938 2.632 No H/Q in entry = 13 In of MODEL 28 1 H SER 15 H SER 15 -15.121 9.574 -1.919 2 HA SER 15 HA SER 15 -13.094 7.572 -1.616 3 HB2 SER 15 HB2 SER 15 -11.838 9.342 -3.115 4 HB3 SER 15 HB3 SER 15 -13.142 8.346 -3.777 5 HG SER 15 HG SER 15 -13.137 10.803 -4.048 No H/Q in entry = 5 In of MODEL 28 1 H ASN 16 H ASN 16 -10.968 7.898 -1.012 2 HA ASN 16 HA ASN 16 -10.151 10.081 0.695 3 HB2 ASN 16 HB2 ASN 16 -10.303 7.303 1.901 4 HB3 ASN 16 HB3 ASN 16 -9.764 8.772 2.694 5 HD21 ASN 16 HD21 ASN 16 -11.263 10.136 3.593 6 HD22 ASN 16 HD22 ASN 16 -12.941 9.731 3.728 No H/Q in entry = 6 In of MODEL 28 1 H PHE 17 H PHE 17 -8.121 8.056 1.918 2 HA PHE 17 HA PHE 17 -6.650 7.418 -0.533 3 HB2 PHE 17 HB2 PHE 17 -5.656 9.105 1.763 4 HB3 PHE 17 HB3 PHE 17 -4.559 8.285 0.658 5 HD1 PHE 17 HD1 PHE 17 -5.944 8.630 -1.892 6 HD2 PHE 17 HD2 PHE 17 -5.362 11.366 1.307 7 HE1 PHE 17 HE1 PHE 17 -6.073 10.507 -3.484 8 HE2 PHE 17 HE2 PHE 17 -5.501 13.252 -0.268 9 HZ PHE 17 HZ PHE 17 -5.857 12.823 -2.668 No H/Q in entry = 9 In of MODEL 28 1 H LEU 18 H LEU 18 -5.718 5.441 -0.463 2 HA LEU 18 HA LEU 18 -5.773 3.973 2.065 3 HB2 LEU 18 HB2 LEU 18 -6.576 2.714 0.183 4 HB3 LEU 18 HB3 LEU 18 -5.154 3.113 -0.763 5 HG LEU 18 HG LEU 18 -3.763 1.637 0.610 6 HD11 LEU 18 HD11 LEU 18 -6.281 1.170 2.213 7 HD12 LEU 18 HD12 LEU 18 -4.827 0.179 2.316 8 HD13 LEU 18 HD13 LEU 18 -4.766 1.876 2.780 9 HD21 LEU 18 HD21 LEU 18 -6.332 0.351 -0.312 10 HD22 LEU 18 HD22 LEU 18 -4.872 0.613 -1.267 11 HD23 LEU 18 HD23 LEU 18 -4.851 -0.518 0.085 No H/Q in entry = 11 In of MODEL 28 1 H ASN 19 H ASN 19 -4.093 3.799 3.347 2 HA ASN 19 HA ASN 19 -1.469 4.642 2.317 3 HB2 ASN 19 HB2 ASN 19 -2.788 5.008 5.002 4 HB3 ASN 19 HB3 ASN 19 -1.038 5.156 4.816 5 HD21 ASN 19 HD21 ASN 19 -1.264 6.308 2.128 6 HD22 ASN 19 HD22 ASN 19 -1.815 7.928 2.361 No H/Q in entry = 6 In of MODEL 28 1 H CYS 20 H CYS 20 -0.015 3.107 2.100 2 HA CYS 20 HA CYS 20 -0.093 0.724 3.853 3 HB2 CYS 20 HB2 CYS 20 -0.462 0.000 1.623 4 HB3 CYS 20 HB3 CYS 20 0.726 1.126 0.954 No H/Q in entry = 4 In of MODEL 28 1 H TYR 21 H TYR 21 1.553 0.729 5.325 2 HA TYR 21 HA TYR 21 3.944 2.324 4.755 3 HB2 TYR 21 HB2 TYR 21 3.198 0.944 7.345 4 HB3 TYR 21 HB3 TYR 21 4.482 2.122 7.117 5 HD1 TYR 21 HD1 TYR 21 3.996 4.480 7.017 6 HD2 TYR 21 HD2 TYR 21 0.883 1.614 7.402 7 HE1 TYR 21 HE1 TYR 21 2.420 6.286 7.579 8 HE2 TYR 21 HE2 TYR 21 -0.710 3.411 7.963 9 HH TYR 21 HH TYR 21 -0.621 5.717 8.903 No H/Q in entry = 9 In of MODEL 28 1 H VAL 22 H VAL 22 5.624 1.280 3.821 2 HA VAL 22 HA VAL 22 6.120 -1.506 4.598 3 HB VAL 22 HB VAL 22 7.182 0.081 2.235 4 HG11 VAL 22 HG11 VAL 22 8.672 -1.736 2.990 5 HG12 VAL 22 HG12 VAL 22 7.346 -2.884 2.797 6 HG13 VAL 22 HG13 VAL 22 7.994 -2.037 1.389 7 HG21 VAL 22 HG21 VAL 22 4.985 -1.991 2.372 8 HG22 VAL 22 HG22 VAL 22 4.811 -0.279 1.981 9 HG23 VAL 22 HG23 VAL 22 5.678 -1.349 0.877 No H/Q in entry = 9 In of MODEL 28 1 H SER 23 H SER 23 7.536 -1.615 6.250 2 HA SER 23 HA SER 23 9.530 0.539 6.519 3 HB2 SER 23 HB2 SER 23 7.794 0.552 8.260 4 HB3 SER 23 HB3 SER 23 8.175 -1.120 8.666 5 HG SER 23 HG SER 23 10.041 1.024 8.836 No H/Q in entry = 5 In of MODEL 28 1 H GLY 24 H GLY 24 11.658 0.035 6.997 2 HA2 GLY 24 HA2 GLY 24 12.336 -2.762 7.599 3 HA3 GLY 24 HA3 GLY 24 13.351 -1.363 7.916 No H/Q in entry = 3 In of MODEL 28 1 H PHE 25 H PHE 25 11.918 -1.364 4.827 2 HA PHE 25 HA PHE 25 14.109 -2.897 3.639 3 HB2 PHE 25 HB2 PHE 25 11.521 -1.899 2.427 4 HB3 PHE 25 HB3 PHE 25 12.718 -2.890 1.598 5 HD1 PHE 25 HD1 PHE 25 12.785 -5.251 1.885 6 HD2 PHE 25 HD2 PHE 25 10.286 -2.890 4.403 7 HE1 PHE 25 HE1 PHE 25 11.717 -7.307 2.747 8 HE2 PHE 25 HE2 PHE 25 9.215 -4.941 5.272 9 HZ PHE 25 HZ PHE 25 9.920 -7.137 4.423 No H/Q in entry = 9 In of MODEL 28 1 H HIS 26 H HIS 26 15.280 -2.096 1.831 2 HA HIS 26 HA HIS 26 15.770 0.758 1.953 3 HB2 HIS 26 HB2 HIS 26 17.074 -1.379 0.244 4 HB3 HIS 26 HB3 HIS 26 17.634 0.283 0.417 5 HD2 HIS 26 HD2 HIS 26 18.449 0.875 3.183 6 HE1 HIS 26 HE1 HIS 26 19.525 -3.174 3.792 7 HE2 HIS 26 HE2 HIS 26 19.646 -0.826 4.746 No H/Q in entry = 7 In of MODEL 28 1 HA PRO 27 HA PRO 27 12.536 1.529 -0.937 2 HB2 PRO 27 HB2 PRO 27 14.112 4.024 -1.389 3 HB3 PRO 27 HB3 PRO 27 12.395 3.837 -1.003 4 HG2 PRO 27 HG2 PRO 27 14.076 4.610 0.883 5 HG3 PRO 27 HG3 PRO 27 12.817 3.407 1.257 6 HD2 PRO 27 HD2 PRO 27 15.751 3.000 0.753 7 HD3 PRO 27 HD3 PRO 27 14.694 2.231 1.961 No H/Q in entry = 7 In of MODEL 28 1 H SER 28 H SER 28 15.779 1.173 -1.908 2 HA SER 28 HA SER 28 15.402 2.036 -4.621 3 HB2 SER 28 HB2 SER 28 17.747 0.964 -4.844 4 HB3 SER 28 HB3 SER 28 17.580 2.398 -3.815 5 HG SER 28 HG SER 28 18.154 -0.240 -3.147 No H/Q in entry = 5 In of MODEL 28 1 H ASP 29 H ASP 29 15.691 -1.144 -2.998 2 HA ASP 29 HA ASP 29 15.237 -2.402 -5.628 3 HB2 ASP 29 HB2 ASP 29 16.474 -3.684 -3.179 4 HB3 ASP 29 HB3 ASP 29 16.375 -4.367 -4.797 No H/Q in entry = 4 In of MODEL 28 1 H ILE 30 H ILE 30 12.998 -1.489 -3.942 2 HA ILE 30 HA ILE 30 11.840 -4.145 -3.447 3 HB ILE 30 HB ILE 30 10.813 -3.573 -1.503 4 HG12 ILE 30 HG12 ILE 30 10.746 -0.638 -2.299 5 HG13 ILE 30 HG13 ILE 30 9.436 -1.792 -2.527 6 HG21 ILE 30 HG21 ILE 30 13.087 -1.606 -1.551 7 HG22 ILE 30 HG22 ILE 30 12.193 -2.065 -0.103 8 HG23 ILE 30 HG23 ILE 30 13.122 -3.274 -0.985 9 HD11 ILE 30 HD11 ILE 30 9.315 -2.111 -0.097 10 HD12 ILE 30 HD12 ILE 30 10.573 -0.895 0.109 11 HD13 ILE 30 HD13 ILE 30 9.015 -0.445 -0.584 No H/Q in entry = 11 In of MODEL 28 1 H GLU 31 H GLU 31 9.505 -4.237 -3.624 2 HA GLU 31 HA GLU 31 8.478 -2.388 -5.633 3 HB2 GLU 31 HB2 GLU 31 9.516 -4.894 -5.989 4 HB3 GLU 31 HB3 GLU 31 7.795 -5.163 -6.011 5 HG2 GLU 31 HG2 GLU 31 9.364 -3.238 -7.742 6 HG3 GLU 31 HG3 GLU 31 8.656 -4.764 -8.274 No H/Q in entry = 6 In of MODEL 28 1 H VAL 32 H VAL 32 6.575 -1.704 -5.022 2 HA VAL 32 HA VAL 32 4.792 -3.347 -3.382 3 HB VAL 32 HB VAL 32 5.334 -2.200 -1.499 4 HG11 VAL 32 HG11 VAL 32 7.370 -1.333 -2.584 5 HG12 VAL 32 HG12 VAL 32 6.451 0.066 -3.142 6 HG13 VAL 32 HG13 VAL 32 6.681 -0.210 -1.413 7 HG21 VAL 32 HG21 VAL 32 3.168 -1.196 -1.965 8 HG22 VAL 32 HG22 VAL 32 4.234 -0.061 -1.137 9 HG23 VAL 32 HG23 VAL 32 3.950 0.101 -2.871 No H/Q in entry = 9 In of MODEL 28 1 H ASP 33 H ASP 33 2.635 -3.094 -3.799 2 HA ASP 33 HA ASP 33 1.764 -0.797 -5.433 3 HB2 ASP 33 HB2 ASP 33 0.940 -3.697 -5.969 4 HB3 ASP 33 HB3 ASP 33 0.253 -2.287 -6.767 No H/Q in entry = 4 In of MODEL 28 1 H LEU 34 H LEU 34 -0.652 -0.604 -5.392 2 HA LEU 34 HA LEU 34 -1.779 -1.597 -2.856 3 HB2 LEU 34 HB2 LEU 34 -2.150 0.963 -4.347 4 HB3 LEU 34 HB3 LEU 34 -3.520 0.338 -3.450 5 HG LEU 34 HG LEU 34 -2.075 0.322 -1.387 6 HD11 LEU 34 HD11 LEU 34 0.116 0.301 -2.478 7 HD12 LEU 34 HD12 LEU 34 -0.177 1.933 -3.089 8 HD13 LEU 34 HD13 LEU 34 -0.050 1.645 -1.350 9 HD21 LEU 34 HD21 LEU 34 -3.668 2.112 -1.838 10 HD22 LEU 34 HD22 LEU 34 -2.241 2.702 -0.987 11 HD23 LEU 34 HD23 LEU 34 -2.422 2.999 -2.716 No H/Q in entry = 11 In of MODEL 28 1 H LEU 35 H LEU 35 -3.485 -2.962 -2.957 2 HA LEU 35 HA LEU 35 -4.509 -3.620 -5.644 3 HB2 LEU 35 HB2 LEU 35 -4.006 -5.503 -3.344 4 HB3 LEU 35 HB3 LEU 35 -4.618 -5.931 -4.923 5 HG LEU 35 HG LEU 35 -1.836 -5.187 -4.112 6 HD11 LEU 35 HD11 LEU 35 -3.149 -7.419 -5.658 7 HD12 LEU 35 HD12 LEU 35 -1.408 -7.227 -5.521 8 HD13 LEU 35 HD13 LEU 35 -2.382 -7.518 -4.073 9 HD21 LEU 35 HD21 LEU 35 -2.363 -3.756 -6.054 10 HD22 LEU 35 HD22 LEU 35 -1.180 -5.005 -6.440 11 HD23 LEU 35 HD23 LEU 35 -2.852 -5.187 -6.961 No H/Q in entry = 11 In of MODEL 28 1 H LYS 36 H LYS 36 -6.475 -4.910 -5.697 2 HA LYS 36 HA LYS 36 -8.295 -4.651 -3.395 3 HB2 LYS 36 HB2 LYS 36 -9.321 -5.097 -6.173 4 HB3 LYS 36 HB3 LYS 36 -10.112 -4.281 -4.815 5 HG2 LYS 36 HG2 LYS 36 -8.649 -2.366 -5.150 6 HG3 LYS 36 HG3 LYS 36 -7.817 -3.188 -6.463 7 HD2 LYS 36 HD2 LYS 36 -9.477 -1.498 -7.252 8 HD3 LYS 36 HD3 LYS 36 -9.773 -3.129 -7.870 9 HE2 LYS 36 HE2 LYS 36 -11.848 -1.888 -7.161 10 HE3 LYS 36 HE3 LYS 36 -11.627 -3.419 -6.310 11 HZ1 LYS 36 HZ1 LYS 36 -10.572 -2.022 -4.501 12 HZ2 LYS 36 HZ2 LYS 36 -11.190 -0.665 -5.307 13 HZ3 LYS 36 HZ3 LYS 36 -12.240 -1.850 -4.708 No H/Q in entry = 13 In of MODEL 28 1 H ASN 37 H ASN 37 -8.200 -6.739 -2.502 2 HA ASN 37 HA ASN 37 -8.123 -9.035 -2.414 3 HB2 ASN 37 HB2 ASN 37 -9.879 -8.922 -4.844 4 HB3 ASN 37 HB3 ASN 37 -10.001 -10.067 -3.534 5 HD21 ASN 37 HD21 ASN 37 -10.580 -6.859 -4.674 6 HD22 ASN 37 HD22 ASN 37 -11.766 -6.406 -3.517 No H/Q in entry = 6 In of MODEL 28 1 H GLY 38 H GLY 38 -5.881 -8.140 -3.698 2 HA2 GLY 38 HA2 GLY 38 -5.236 -10.287 -5.461 3 HA3 GLY 38 HA3 GLY 38 -4.172 -8.967 -5.034 No H/Q in entry = 3 In of MODEL 28 1 H GLU 39 H GLU 39 -6.201 -6.957 -6.098 2 HA GLU 39 HA GLU 39 -5.686 -7.430 -8.947 3 HB2 GLU 39 HB2 GLU 39 -8.077 -7.905 -8.360 4 HB3 GLU 39 HB3 GLU 39 -8.229 -6.255 -7.810 5 HG2 GLU 39 HG2 GLU 39 -7.306 -6.545 -10.561 6 HG3 GLU 39 HG3 GLU 39 -8.966 -7.054 -10.267 No H/Q in entry = 6 In of MODEL 28 1 H ARG 40 H ARG 40 -4.520 -5.877 -9.778 2 HA ARG 40 HA ARG 40 -3.478 -3.774 -8.255 3 HB2 ARG 40 HB2 ARG 40 -2.774 -5.053 -10.547 4 HB3 ARG 40 HB3 ARG 40 -3.359 -3.539 -11.217 5 HG2 ARG 40 HG2 ARG 40 -1.763 -2.332 -9.750 6 HG3 ARG 40 HG3 ARG 40 -1.132 -3.890 -9.221 7 HD2 ARG 40 HD2 ARG 40 0.313 -3.028 -10.948 8 HD3 ARG 40 HD3 ARG 40 -0.563 -4.412 -11.606 9 HE ARG 40 HE ARG 40 -2.105 -2.708 -12.629 10 HH11 ARG 40 HH11 ARG 40 1.221 -1.911 -11.841 11 HH12 ARG 40 HH12 ARG 40 1.365 -0.724 -13.111 12 HH21 ARG 40 HH21 ARG 40 -1.916 -1.114 -14.280 13 HH22 ARG 40 HH22 ARG 40 -0.402 -0.283 -14.486 No H/Q in entry = 13 In of MODEL 28 1 H ILE 41 H ILE 41 -4.420 -1.998 -7.623 2 HA ILE 41 HA ILE 41 -6.833 -0.949 -8.594 3 HB ILE 41 HB ILE 41 -4.705 0.425 -6.952 4 HG12 ILE 41 HG12 ILE 41 -7.195 -1.066 -6.115 5 HG13 ILE 41 HG13 ILE 41 -5.548 -1.674 -5.965 6 HG21 ILE 41 HG21 ILE 41 -6.266 2.031 -7.966 7 HG22 ILE 41 HG22 ILE 41 -7.624 1.136 -7.293 8 HG23 ILE 41 HG23 ILE 41 -6.479 1.940 -6.219 9 HD11 ILE 41 HD11 ILE 41 -6.353 0.869 -4.633 10 HD12 ILE 41 HD12 ILE 41 -6.710 -0.705 -3.911 11 HD13 ILE 41 HD13 ILE 41 -5.033 -0.242 -4.247 No H/Q in entry = 11 In of MODEL 28 1 H GLU 42 H GLU 42 -3.860 0.977 -8.575 2 HA GLU 42 HA GLU 42 -2.527 1.065 -10.660 3 HB2 GLU 42 HB2 GLU 42 -5.183 1.842 -11.877 4 HB3 GLU 42 HB3 GLU 42 -3.634 2.118 -12.652 5 HG2 GLU 42 HG2 GLU 42 -3.388 -0.483 -12.247 6 HG3 GLU 42 HG3 GLU 42 -5.149 -0.392 -12.251 No H/Q in entry = 6 In of MODEL 28 1 H LYS 43 H LYS 43 -4.935 3.236 -9.180 2 HA LYS 43 HA LYS 43 -3.647 5.574 -10.294 3 HB2 LYS 43 HB2 LYS 43 -5.745 5.517 -8.123 4 HB3 LYS 43 HB3 LYS 43 -5.391 6.812 -9.254 5 HG2 LYS 43 HG2 LYS 43 -6.786 4.198 -9.851 6 HG3 LYS 43 HG3 LYS 43 -7.469 5.824 -9.890 7 HD2 LYS 43 HD2 LYS 43 -5.289 4.811 -11.717 8 HD3 LYS 43 HD3 LYS 43 -6.996 4.944 -12.139 9 HE2 LYS 43 HE2 LYS 43 -5.269 7.266 -11.277 10 HE3 LYS 43 HE3 LYS 43 -5.601 6.845 -12.957 11 HZ1 LYS 43 HZ1 LYS 43 -7.735 7.448 -10.984 12 HZ2 LYS 43 HZ2 LYS 43 -7.044 8.619 -11.995 13 HZ3 LYS 43 HZ3 LYS 43 -7.888 7.310 -12.666 No H/Q in entry = 13 In of MODEL 28 1 H VAL 44 H VAL 44 -1.662 4.455 -9.083 2 HA VAL 44 HA VAL 44 -1.496 5.668 -6.416 3 HB VAL 44 HB VAL 44 -1.465 2.925 -6.846 4 HG11 VAL 44 HG11 VAL 44 0.738 3.016 -7.898 5 HG12 VAL 44 HG12 VAL 44 1.379 3.801 -6.455 6 HG13 VAL 44 HG13 VAL 44 0.781 2.142 -6.363 7 HG21 VAL 44 HG21 VAL 44 -1.905 4.028 -4.735 8 HG22 VAL 44 HG22 VAL 44 -0.704 2.747 -4.544 9 HG23 VAL 44 HG23 VAL 44 -0.197 4.438 -4.582 No H/Q in entry = 9 In of MODEL 28 1 H GLU 45 H GLU 45 0.250 6.927 -6.139 2 HA GLU 45 HA GLU 45 2.448 6.719 -8.067 3 HB2 GLU 45 HB2 GLU 45 0.992 9.317 -7.516 4 HB3 GLU 45 HB3 GLU 45 2.447 9.151 -8.477 5 HG2 GLU 45 HG2 GLU 45 1.191 7.822 -10.133 6 HG3 GLU 45 HG3 GLU 45 -0.272 8.031 -9.171 No H/Q in entry = 6 In of MODEL 28 1 H HIS 46 H HIS 46 4.089 6.293 -6.684 2 HA HIS 46 HA HIS 46 5.014 8.651 -5.304 3 HB2 HIS 46 HB2 HIS 46 3.763 7.095 -3.631 4 HB3 HIS 46 HB3 HIS 46 5.162 6.045 -3.803 5 HD2 HIS 46 HD2 HIS 46 7.673 7.392 -3.018 6 HE1 HIS 46 HE1 HIS 46 5.562 10.035 -0.479 7 HE2 HIS 46 HE2 HIS 46 7.807 8.973 -0.974 No H/Q in entry = 7 In of MODEL 28 1 H SER 47 H SER 47 7.199 8.831 -5.598 2 HA SER 47 HA SER 47 8.281 6.849 -7.411 3 HB2 SER 47 HB2 SER 47 10.037 8.652 -7.754 4 HB3 SER 47 HB3 SER 47 8.385 9.102 -8.180 5 HG SER 47 HG SER 47 9.702 9.713 -5.735 No H/Q in entry = 5 In of MODEL 28 1 H ASP 48 H ASP 48 9.788 5.455 -6.951 2 HA ASP 48 HA ASP 48 11.010 5.223 -4.396 3 HB2 ASP 48 HB2 ASP 48 12.336 3.419 -5.439 4 HB3 ASP 48 HB3 ASP 48 10.624 3.256 -5.811 No H/Q in entry = 4 In of MODEL 28 1 H LEU 49 H LEU 49 13.387 5.257 -4.046 2 HA LEU 49 HA LEU 49 14.748 7.155 -5.792 3 HB2 LEU 49 HB2 LEU 49 15.628 8.279 -3.585 4 HB3 LEU 49 HB3 LEU 49 14.149 8.816 -4.356 5 HG LEU 49 HG LEU 49 13.976 8.787 -1.909 6 HD11 LEU 49 HD11 LEU 49 12.199 6.754 -3.231 7 HD12 LEU 49 HD12 LEU 49 11.927 7.432 -1.626 8 HD13 LEU 49 HD13 LEU 49 11.902 8.484 -3.042 9 HD21 LEU 49 HD21 LEU 49 15.518 6.976 -1.389 10 HD22 LEU 49 HD22 LEU 49 13.954 6.742 -0.608 11 HD23 LEU 49 HD23 LEU 49 14.373 5.804 -2.041 No H/Q in entry = 11 In of MODEL 28 1 H SER 50 H SER 50 15.824 5.026 -6.316 2 HA SER 50 HA SER 50 17.572 3.788 -4.555 3 HB2 SER 50 HB2 SER 50 17.922 4.186 -7.532 4 HB3 SER 50 HB3 SER 50 18.647 2.914 -6.548 5 HG SER 50 HG SER 50 16.556 2.528 -7.804 No H/Q in entry = 5 In of MODEL 28 1 H PHE 51 H PHE 51 17.703 6.930 -5.760 2 HA PHE 51 HA PHE 51 20.581 7.196 -5.751 3 HB2 PHE 51 HB2 PHE 51 18.381 9.266 -5.942 4 HB3 PHE 51 HB3 PHE 51 20.101 9.621 -6.083 5 HD1 PHE 51 HD1 PHE 51 17.173 8.227 -7.725 6 HD2 PHE 51 HD2 PHE 51 21.367 8.875 -8.027 7 HE1 PHE 51 HE1 PHE 51 17.069 7.746 -10.134 8 HE2 PHE 51 HE2 PHE 51 21.271 8.398 -10.437 9 HZ PHE 51 HZ PHE 51 19.119 7.832 -11.493 No H/Q in entry = 9 In of MODEL 28 1 H SER 52 H SER 52 18.437 6.738 -3.393 2 HA SER 52 HA SER 52 19.944 8.398 -1.496 3 HB2 SER 52 HB2 SER 52 17.043 7.551 -1.301 4 HB3 SER 52 HB3 SER 52 17.922 8.518 -0.115 5 HG SER 52 HG SER 52 17.539 10.206 -1.280 No H/Q in entry = 5 In of MODEL 28 1 H LYS 53 H LYS 53 21.414 6.906 -0.799 2 HA LYS 53 HA LYS 53 20.620 4.305 0.151 3 HB2 LYS 53 HB2 LYS 53 22.878 4.155 1.053 4 HB3 LYS 53 HB3 LYS 53 22.947 4.787 -0.586 5 HG2 LYS 53 HG2 LYS 53 23.276 7.030 0.247 6 HG3 LYS 53 HG3 LYS 53 23.077 6.473 1.908 7 HD2 LYS 53 HD2 LYS 53 25.414 6.729 1.504 8 HD3 LYS 53 HD3 LYS 53 25.070 5.000 1.565 9 HE2 LYS 53 HE2 LYS 53 25.039 4.930 -0.885 10 HE3 LYS 53 HE3 LYS 53 25.399 6.656 -0.932 11 HZ1 LYS 53 HZ1 LYS 53 27.470 6.133 0.326 12 HZ2 LYS 53 HZ2 LYS 53 27.141 4.486 0.097 13 HZ3 LYS 53 HZ3 LYS 53 27.424 5.485 -1.243 No H/Q in entry = 13 In of MODEL 28 1 H ASP 54 H ASP 54 20.874 7.514 1.284 2 HA ASP 54 HA ASP 54 20.430 6.951 4.055 3 HB2 ASP 54 HB2 ASP 54 20.133 9.402 4.250 4 HB3 ASP 54 HB3 ASP 54 21.628 8.975 3.427 No H/Q in entry = 4 In of MODEL 28 1 H TRP 55 H TRP 55 18.570 6.751 5.071 2 HA TRP 55 HA TRP 55 16.085 7.656 3.916 3 HB2 TRP 55 HB2 TRP 55 16.254 5.562 2.741 4 HB3 TRP 55 HB3 TRP 55 16.696 4.706 4.213 5 HD1 TRP 55 HD1 TRP 55 13.590 6.927 3.263 6 HE1 TRP 55 HE1 TRP 55 11.495 5.625 4.035 7 HE3 TRP 55 HE3 TRP 55 15.812 2.663 5.188 8 HZ2 TRP 55 HZ2 TRP 55 10.855 3.237 5.209 9 HZ3 TRP 55 HZ3 TRP 55 14.334 0.932 6.109 10 HH2 TRP 55 HH2 TRP 55 11.909 1.202 6.125 No H/Q in entry = 10 In of MODEL 28 1 H SER 56 H SER 56 16.585 8.865 5.893 2 HA SER 56 HA SER 56 15.706 7.462 8.298 3 HB2 SER 56 HB2 SER 56 16.227 9.900 9.225 4 HB3 SER 56 HB3 SER 56 17.525 8.730 8.946 5 HG SER 56 HG SER 56 17.725 10.973 8.031 No H/Q in entry = 5 In of MODEL 28 1 H PHE 57 H PHE 57 13.604 7.308 6.967 2 HA PHE 57 HA PHE 57 11.804 9.129 8.095 3 HB2 PHE 57 HB2 PHE 57 10.649 9.715 5.837 4 HB3 PHE 57 HB3 PHE 57 11.956 10.704 6.446 5 HD1 PHE 57 HD1 PHE 57 14.243 10.414 5.409 6 HD2 PHE 57 HD2 PHE 57 10.718 8.763 3.703 7 HE1 PHE 57 HE1 PHE 57 15.372 10.289 3.229 8 HE2 PHE 57 HE2 PHE 57 11.839 8.651 1.511 9 HZ PHE 57 HZ PHE 57 14.167 9.403 1.277 No H/Q in entry = 9 In of MODEL 28 1 H TYR 58 H TYR 58 10.626 7.767 5.104 2 HA TYR 58 HA TYR 58 9.831 5.272 6.184 3 HB2 TYR 58 HB2 TYR 58 8.605 7.252 7.510 4 HB3 TYR 58 HB3 TYR 58 7.467 7.103 6.180 5 HD1 TYR 58 HD1 TYR 58 6.122 6.607 8.491 6 HD2 TYR 58 HD2 TYR 58 8.848 3.922 6.614 7 HE1 TYR 58 HE1 TYR 58 5.074 4.713 9.691 8 HE2 TYR 58 HE2 TYR 58 7.811 2.027 7.806 9 HH TYR 58 HH TYR 58 4.860 2.414 9.632 No H/Q in entry = 9 In of MODEL 28 1 H LEU 59 H LEU 59 8.548 4.022 4.740 2 HA LEU 59 HA LEU 59 8.271 5.144 2.026 3 HB2 LEU 59 HB2 LEU 59 8.572 2.411 3.203 4 HB3 LEU 59 HB3 LEU 59 7.709 2.563 1.689 5 HG LEU 59 HG LEU 59 10.499 3.649 2.012 6 HD11 LEU 59 HD11 LEU 59 10.516 1.269 2.631 7 HD12 LEU 59 HD12 LEU 59 9.711 0.884 1.110 8 HD13 LEU 59 HD13 LEU 59 11.336 1.562 1.098 9 HD21 LEU 59 HD21 LEU 59 8.765 2.829 -0.317 10 HD22 LEU 59 HD22 LEU 59 9.358 4.447 0.063 11 HD23 LEU 59 HD23 LEU 59 10.483 3.199 -0.457 No H/Q in entry = 11 In of MODEL 28 1 H LEU 60 H LEU 60 6.302 5.814 1.455 2 HA LEU 60 HA LEU 60 3.971 4.179 2.087 3 HB2 LEU 60 HB2 LEU 60 3.958 5.849 3.807 4 HB3 LEU 60 HB3 LEU 60 4.320 7.114 2.655 5 HG LEU 60 HG LEU 60 2.080 6.829 1.658 6 HD11 LEU 60 HD11 LEU 60 1.746 4.473 2.284 7 HD12 LEU 60 HD12 LEU 60 1.571 4.967 3.965 8 HD13 LEU 60 HD13 LEU 60 0.399 5.504 2.765 9 HD21 LEU 60 HD21 LEU 60 2.479 8.512 3.380 10 HD22 LEU 60 HD22 LEU 60 0.844 7.859 3.486 11 HD23 LEU 60 HD23 LEU 60 2.081 7.333 4.629 No H/Q in entry = 11 In of MODEL 28 1 H TYR 61 H TYR 61 2.349 4.315 0.529 2 HA TYR 61 HA TYR 61 2.799 6.073 -1.805 3 HB2 TYR 61 HB2 TYR 61 1.974 3.130 -1.771 4 HB3 TYR 61 HB3 TYR 61 1.819 4.160 -3.202 5 HD1 TYR 61 HD1 TYR 61 4.441 3.092 -0.714 6 HD2 TYR 61 HD2 TYR 61 3.560 4.178 -4.731 7 HE1 TYR 61 HE1 TYR 61 6.767 2.592 -1.362 8 HE2 TYR 61 HE2 TYR 61 5.872 3.671 -5.386 9 HH TYR 61 HH TYR 61 8.056 3.477 -4.404 No H/Q in entry = 9 In of MODEL 28 1 H TYR 62 H TYR 62 0.637 6.479 -3.015 2 HA TYR 62 HA TYR 62 -1.634 6.158 -1.197 3 HB2 TYR 62 HB2 TYR 62 -2.272 8.593 -1.604 4 HB3 TYR 62 HB3 TYR 62 -0.962 8.274 -0.480 5 HD1 TYR 62 HD1 TYR 62 -1.793 9.594 -3.828 6 HD2 TYR 62 HD2 TYR 62 1.273 9.047 -0.937 7 HE1 TYR 62 HE1 TYR 62 -0.357 11.159 -5.063 8 HE2 TYR 62 HE2 TYR 62 2.716 10.614 -2.163 9 HH TYR 62 HH TYR 62 2.919 11.411 -4.560 No H/Q in entry = 9 In of MODEL 28 1 H THR 63 H THR 63 -3.589 5.854 -2.122 2 HA THR 63 HA THR 63 -3.972 6.463 -4.966 3 HB THR 63 HB THR 63 -3.223 3.993 -4.570 4 HG1 THR 63 HG1 THR 63 -4.434 5.057 -6.441 5 HG21 THR 63 HG21 THR 63 -4.774 3.496 -2.727 6 HG22 THR 63 HG22 THR 63 -6.131 3.794 -3.809 7 HG23 THR 63 HG23 THR 63 -5.046 2.440 -4.112 No H/Q in entry = 7 In of MODEL 28 1 H GLU 64 H GLU 64 -6.039 7.041 -5.474 2 HA GLU 64 HA GLU 64 -7.975 7.781 -3.620 3 HB2 GLU 64 HB2 GLU 64 -7.670 8.338 -6.163 4 HB3 GLU 64 HB3 GLU 64 -8.654 6.904 -6.419 5 HG2 GLU 64 HG2 GLU 64 -10.226 8.580 -6.473 6 HG3 GLU 64 HG3 GLU 64 -10.323 8.026 -4.802 No H/Q in entry = 6 In of MODEL 28 1 H PHE 65 H PHE 65 -9.400 6.514 -2.384 2 HA PHE 65 HA PHE 65 -10.243 3.987 -3.628 3 HB2 PHE 65 HB2 PHE 65 -10.189 2.831 -1.579 4 HB3 PHE 65 HB3 PHE 65 -8.694 3.735 -1.657 5 HD1 PHE 65 HD1 PHE 65 -7.964 4.396 0.367 6 HD2 PHE 65 HD2 PHE 65 -12.139 4.509 -0.402 7 HE1 PHE 65 HE1 PHE 65 -8.359 5.254 2.646 8 HE2 PHE 65 HE2 PHE 65 -12.528 5.392 1.862 9 HZ PHE 65 HZ PHE 65 -10.654 5.753 3.394 No H/Q in entry = 9 In of MODEL 28 1 H THR 66 H THR 66 -12.376 3.333 -3.357 2 HA THR 66 HA THR 66 -14.067 4.952 -1.566 3 HB THR 66 HB THR 66 -14.879 3.996 -4.337 4 HG1 THR 66 HG1 THR 66 -13.646 6.274 -3.403 5 HG21 THR 66 HG21 THR 66 -16.331 5.709 -2.300 6 HG22 THR 66 HG22 THR 66 -16.877 5.397 -3.949 7 HG23 THR 66 HG23 THR 66 -16.771 4.072 -2.789 No H/Q in entry = 7 In of MODEL 28 1 HA PRO 67 HA PRO 67 -14.700 0.652 -0.301 2 HB2 PRO 67 HB2 PRO 67 -16.055 1.357 2.052 3 HB3 PRO 67 HB3 PRO 67 -14.345 0.964 1.898 4 HG2 PRO 67 HG2 PRO 67 -15.491 3.517 2.479 5 HG3 PRO 67 HG3 PRO 67 -13.782 3.100 2.289 6 HD2 PRO 67 HD2 PRO 67 -15.553 4.492 0.451 7 HD3 PRO 67 HD3 PRO 67 -13.788 4.333 0.407 No H/Q in entry = 7 In of MODEL 28 1 H THR 68 H THR 68 -16.205 -0.707 -0.532 2 HA THR 68 HA THR 68 -19.037 0.080 -0.567 3 HB THR 68 HB THR 68 -19.404 -1.397 -2.481 4 HG1 THR 68 HG1 THR 68 -17.143 -2.126 -3.401 5 HG21 THR 68 HG21 THR 68 -18.712 0.897 -3.015 6 HG22 THR 68 HG22 THR 68 -17.023 0.387 -3.003 7 HG23 THR 68 HG23 THR 68 -18.128 -0.251 -4.221 No H/Q in entry = 7 In of MODEL 28 1 H GLU 69 H GLU 69 -20.447 -1.915 -0.141 2 HA GLU 69 HA GLU 69 -19.489 -3.623 1.847 3 HB2 GLU 69 HB2 GLU 69 -21.820 -3.321 1.642 4 HB3 GLU 69 HB3 GLU 69 -21.841 -3.786 -0.049 5 HG2 GLU 69 HG2 GLU 69 -22.779 -5.586 1.109 6 HG3 GLU 69 HG3 GLU 69 -21.130 -6.079 0.711 No H/Q in entry = 6 In of MODEL 28 1 H LYS 70 H LYS 70 -18.479 -3.651 -1.354 2 HA LYS 70 HA LYS 70 -18.153 -6.560 -1.350 3 HB2 LYS 70 HB2 LYS 70 -18.438 -4.679 -3.683 4 HB3 LYS 70 HB3 LYS 70 -17.972 -6.362 -3.851 5 HG2 LYS 70 HG2 LYS 70 -20.545 -5.588 -2.498 6 HG3 LYS 70 HG3 LYS 70 -20.421 -5.723 -4.246 7 HD2 LYS 70 HD2 LYS 70 -21.281 -7.785 -3.379 8 HD3 LYS 70 HD3 LYS 70 -19.650 -8.064 -3.979 9 HE2 LYS 70 HE2 LYS 70 -20.012 -7.427 -1.091 10 HE3 LYS 70 HE3 LYS 70 -20.471 -9.030 -1.660 11 HZ1 LYS 70 HZ1 LYS 70 -17.811 -7.851 -2.216 12 HZ2 LYS 70 HZ2 LYS 70 -18.121 -8.765 -0.827 13 HZ3 LYS 70 HZ3 LYS 70 -18.281 -9.469 -2.364 No H/Q in entry = 13 In of MODEL 28 1 H ASP 71 H ASP 71 -16.229 -3.580 -1.793 2 HA ASP 71 HA ASP 71 -14.158 -5.206 -3.039 3 HB2 ASP 71 HB2 ASP 71 -14.317 -2.192 -2.813 4 HB3 ASP 71 HB3 ASP 71 -13.106 -3.099 -3.694 No H/Q in entry = 4 In of MODEL 28 1 H GLU 72 H GLU 72 -12.366 -5.759 -2.026 2 HA GLU 72 HA GLU 72 -11.708 -4.854 0.702 3 HB2 GLU 72 HB2 GLU 72 -11.867 -7.225 0.412 4 HB3 GLU 72 HB3 GLU 72 -10.881 -7.189 -1.039 5 HG2 GLU 72 HG2 GLU 72 -8.978 -6.407 0.465 6 HG3 GLU 72 HG3 GLU 72 -10.027 -6.860 1.800 No H/Q in entry = 6 In of MODEL 28 1 H TYR 73 H TYR 73 -9.532 -4.067 1.135 2 HA TYR 73 HA TYR 73 -7.982 -3.340 -1.265 3 HB2 TYR 73 HB2 TYR 73 -8.463 -1.681 1.222 4 HB3 TYR 73 HB3 TYR 73 -7.243 -1.293 0.020 5 HD1 TYR 73 HD1 TYR 73 -7.810 -0.070 -1.894 6 HD2 TYR 73 HD2 TYR 73 -10.894 -1.800 0.471 7 HE1 TYR 73 HE1 TYR 73 -9.496 1.146 -3.214 8 HE2 TYR 73 HE2 TYR 73 -12.587 -0.583 -0.860 9 HH TYR 73 HH TYR 73 -12.805 1.298 -2.281 No H/Q in entry = 9 In of MODEL 28 1 H ALA 74 H ALA 74 -5.855 -3.799 -1.300 2 HA ALA 74 HA ALA 74 -4.556 -4.760 1.157 3 HB1 ALA 74 HB1 ALA 74 -5.389 -6.716 -0.027 4 HB2 ALA 74 HB2 ALA 74 -4.579 -6.185 -1.503 5 HB3 ALA 74 HB3 ALA 74 -3.632 -6.660 -0.092 No H/Q in entry = 5 In of MODEL 28 1 H CYS 75 H CYS 75 -2.171 -4.789 1.020 2 HA CYS 75 HA CYS 75 -1.107 -3.275 -1.278 3 HB2 CYS 75 HB2 CYS 75 -1.061 -1.779 0.584 4 HB3 CYS 75 HB3 CYS 75 -0.354 -2.999 1.630 No H/Q in entry = 4 In of MODEL 28 1 H ARG 76 H ARG 76 0.466 -4.249 -2.366 2 HA ARG 76 HA ARG 76 1.475 -6.845 -1.409 3 HB2 ARG 76 HB2 ARG 76 0.176 -6.530 -3.587 4 HB3 ARG 76 HB3 ARG 76 1.606 -5.693 -4.189 5 HG2 ARG 76 HG2 ARG 76 2.886 -7.723 -4.105 6 HG3 ARG 76 HG3 ARG 76 1.617 -8.558 -3.204 7 HD2 ARG 76 HD2 ARG 76 1.617 -9.192 -5.621 8 HD3 ARG 76 HD3 ARG 76 0.116 -8.399 -5.118 9 HE ARG 76 HE ARG 76 2.060 -6.545 -6.133 10 HH11 ARG 76 HH11 ARG 76 -0.384 -8.842 -7.136 11 HH12 ARG 76 HH12 ARG 76 -0.742 -8.002 -8.611 12 HH21 ARG 76 HH21 ARG 76 1.625 -5.451 -8.081 13 HH22 ARG 76 HH22 ARG 76 0.429 -6.103 -9.166 No H/Q in entry = 13 In of MODEL 28 1 H VAL 77 H VAL 77 3.641 -7.042 -0.880 2 HA VAL 77 HA VAL 77 5.518 -5.193 -2.210 3 HB VAL 77 HB VAL 77 4.936 -4.512 0.223 4 HG11 VAL 77 HG11 VAL 77 5.183 -6.707 1.243 5 HG12 VAL 77 HG12 VAL 77 6.880 -6.752 0.761 6 HG13 VAL 77 HG13 VAL 77 6.326 -5.553 1.931 7 HG21 VAL 77 HG21 VAL 77 6.726 -3.541 -1.143 8 HG22 VAL 77 HG22 VAL 77 7.181 -3.667 0.559 9 HG23 VAL 77 HG23 VAL 77 7.810 -4.827 -0.608 No H/Q in entry = 9 In of MODEL 28 1 H ASN 78 H ASN 78 7.441 -5.904 -2.715 2 HA ASN 78 HA ASN 78 8.290 -8.594 -1.868 3 HB2 ASN 78 HB2 ASN 78 7.119 -8.698 -4.119 4 HB3 ASN 78 HB3 ASN 78 8.435 -7.713 -4.758 5 HD21 ASN 78 HD21 ASN 78 9.227 -9.267 -6.138 6 HD22 ASN 78 HD22 ASN 78 9.990 -10.718 -5.587 No H/Q in entry = 6 In of MODEL 28 1 H HIS 79 H HIS 79 10.409 -8.885 -1.655 2 HA HIS 79 HA HIS 79 12.258 -6.829 -2.644 3 HB2 HIS 79 HB2 HIS 79 11.815 -6.580 -0.145 4 HB3 HIS 79 HB3 HIS 79 12.509 -8.179 0.066 5 HD2 HIS 79 HD2 HIS 79 13.604 -4.526 -0.373 6 HE1 HIS 79 HE1 HIS 79 17.078 -6.930 -0.290 7 HE2 HIS 79 HE2 HIS 79 16.193 -4.567 -0.531 No H/Q in entry = 7 In of MODEL 28 1 H VAL 80 H VAL 80 14.519 -7.754 -2.752 2 HA VAL 80 HA VAL 80 14.428 -10.228 -4.156 3 HB VAL 80 HB VAL 80 16.981 -8.967 -3.177 4 HG11 VAL 80 HG11 VAL 80 17.208 -11.124 -4.290 5 HG12 VAL 80 HG12 VAL 80 16.324 -10.511 -5.690 6 HG13 VAL 80 HG13 VAL 80 17.901 -9.837 -5.277 7 HG21 VAL 80 HG21 VAL 80 15.314 -8.096 -5.527 8 HG22 VAL 80 HG22 VAL 80 15.725 -7.148 -4.097 9 HG23 VAL 80 HG23 VAL 80 16.984 -7.605 -5.240 No H/Q in entry = 9 In of MODEL 28 1 H THR 81 H THR 81 14.404 -9.686 -0.883 2 HA THR 81 HA THR 81 16.034 -12.004 -0.199 3 HB THR 81 HB THR 81 16.174 -10.181 1.370 4 HG1 THR 81 HG1 THR 81 15.704 -11.284 3.245 5 HG21 THR 81 HG21 THR 81 13.168 -10.389 1.649 6 HG22 THR 81 HG22 THR 81 14.217 -9.392 2.657 7 HG23 THR 81 HG23 THR 81 14.064 -9.050 0.934 No H/Q in entry = 7 In of MODEL 28 1 H LEU 82 H LEU 82 12.580 -11.053 0.201 2 HA LEU 82 HA LEU 82 11.571 -13.577 0.699 3 HB2 LEU 82 HB2 LEU 82 10.173 -11.500 -0.983 4 HB3 LEU 82 HB3 LEU 82 9.438 -12.763 -0.006 5 HG LEU 82 HG LEU 82 10.948 -10.397 1.087 6 HD11 LEU 82 HD11 LEU 82 8.005 -10.993 0.954 7 HD12 LEU 82 HD12 LEU 82 8.745 -9.637 1.808 8 HD13 LEU 82 HD13 LEU 82 8.870 -9.748 0.054 9 HD21 LEU 82 HD21 LEU 82 11.103 -12.387 2.513 10 HD22 LEU 82 HD22 LEU 82 10.096 -11.140 3.246 11 HD23 LEU 82 HD23 LEU 82 9.346 -12.538 2.479 No H/Q in entry = 11 In of MODEL 28 1 H SER 83 H SER 83 10.249 -14.933 -0.692 2 HA SER 83 HA SER 83 11.323 -15.167 -3.446 3 HB2 SER 83 HB2 SER 83 10.249 -17.364 -1.657 4 HB3 SER 83 HB3 SER 83 11.034 -17.564 -3.225 5 HG SER 83 HG SER 83 12.757 -16.226 -1.873 No H/Q in entry = 5 In of MODEL 28 1 H GLN 84 H GLN 84 8.850 -13.941 -1.934 2 HA GLN 84 HA GLN 84 6.897 -14.287 -3.914 3 HB2 GLN 84 HB2 GLN 84 5.173 -15.436 -2.531 4 HB3 GLN 84 HB3 GLN 84 6.544 -16.472 -2.898 5 HG2 GLN 84 HG2 GLN 84 7.417 -16.163 -0.650 6 HG3 GLN 84 HG3 GLN 84 6.134 -15.008 -0.288 7 HE21 GLN 84 HE21 GLN 84 4.051 -15.742 0.045 8 HE22 GLN 84 HE22 GLN 84 3.701 -17.404 0.375 No H/Q in entry = 8 In of MODEL 28 1 HA PRO 85 HA PRO 85 6.255 -10.408 -1.695 2 HB2 PRO 85 HB2 PRO 85 4.122 -9.508 -3.146 3 HB3 PRO 85 HB3 PRO 85 5.828 -9.267 -3.581 4 HG2 PRO 85 HG2 PRO 85 3.852 -11.247 -4.646 5 HG3 PRO 85 HG3 PRO 85 5.161 -10.391 -5.495 6 HD2 PRO 85 HD2 PRO 85 5.357 -13.036 -4.713 7 HD3 PRO 85 HD3 PRO 85 6.777 -11.945 -4.848 No H/Q in entry = 7 In of MODEL 28 1 H LYS 86 H LYS 86 4.752 -9.497 -0.337 2 HA LYS 86 HA LYS 86 2.718 -11.423 0.557 3 HB2 LYS 86 HB2 LYS 86 3.906 -9.104 2.092 4 HB3 LYS 86 HB3 LYS 86 2.789 -10.305 2.723 5 HG2 LYS 86 HG2 LYS 86 5.626 -10.783 1.807 6 HG3 LYS 86 HG3 LYS 86 5.047 -10.770 3.471 7 HD2 LYS 86 HD2 LYS 86 3.447 -12.639 2.094 8 HD3 LYS 86 HD3 LYS 86 5.110 -12.924 1.578 9 HE2 LYS 86 HE2 LYS 86 4.470 -14.236 3.589 10 HE3 LYS 86 HE3 LYS 86 5.840 -13.157 3.861 11 HZ1 LYS 86 HZ1 LYS 86 3.045 -12.454 4.584 12 HZ2 LYS 86 HZ2 LYS 86 4.140 -13.168 5.666 13 HZ3 LYS 86 HZ3 LYS 86 4.463 -11.637 5.021 No H/Q in entry = 13 In of MODEL 28 1 H ILE 87 H ILE 87 0.663 -10.802 1.002 2 HA ILE 87 HA ILE 87 -0.111 -8.095 0.157 3 HB ILE 87 HB ILE 87 -1.421 -10.670 -0.354 4 HG12 ILE 87 HG12 ILE 87 -0.896 -9.425 -2.261 5 HG13 ILE 87 HG13 ILE 87 -2.619 -9.087 -2.054 6 HG21 ILE 87 HG21 ILE 87 -3.072 -8.393 0.710 7 HG22 ILE 87 HG22 ILE 87 -3.729 -9.725 -0.241 8 HG23 ILE 87 HG23 ILE 87 -2.987 -10.044 1.329 9 HD11 ILE 87 HD11 ILE 87 -2.092 -6.994 -0.974 10 HD12 ILE 87 HD12 ILE 87 -0.370 -7.310 -1.182 11 HD13 ILE 87 HD13 ILE 87 -1.404 -7.086 -2.589 No H/Q in entry = 11 In of MODEL 28 1 H VAL 88 H VAL 88 -0.976 -6.766 1.572 2 HA VAL 88 HA VAL 88 -1.869 -7.853 4.159 3 HB VAL 88 HB VAL 88 0.112 -6.462 4.471 4 HG11 VAL 88 HG11 VAL 88 -1.444 -4.326 3.059 5 HG12 VAL 88 HG12 VAL 88 0.031 -4.036 3.982 6 HG13 VAL 88 HG13 VAL 88 0.075 -5.058 2.540 7 HG21 VAL 88 HG21 VAL 88 -2.448 -5.177 5.382 8 HG22 VAL 88 HG22 VAL 88 -1.500 -6.391 6.241 9 HG23 VAL 88 HG23 VAL 88 -0.855 -4.763 6.016 No H/Q in entry = 9 In of MODEL 28 1 H LYS 89 H LYS 89 -4.013 -7.592 4.489 2 HA LYS 89 HA LYS 89 -5.339 -5.698 2.694 3 HB2 LYS 89 HB2 LYS 89 -6.599 -8.044 4.095 4 HB3 LYS 89 HB3 LYS 89 -7.303 -7.037 2.832 5 HG2 LYS 89 HG2 LYS 89 -6.018 -7.988 1.174 6 HG3 LYS 89 HG3 LYS 89 -4.793 -8.545 2.317 7 HD2 LYS 89 HD2 LYS 89 -7.606 -9.598 2.261 8 HD3 LYS 89 HD3 LYS 89 -6.280 -10.344 1.368 9 HE2 LYS 89 HE2 LYS 89 -5.077 -10.602 3.554 10 HE3 LYS 89 HE3 LYS 89 -6.541 -10.024 4.359 11 HZ1 LYS 89 HZ1 LYS 89 -6.455 -12.394 2.574 12 HZ2 LYS 89 HZ2 LYS 89 -6.338 -12.476 4.266 13 HZ3 LYS 89 HZ3 LYS 89 -7.754 -11.885 3.534 No H/Q in entry = 13 In of MODEL 28 1 H TRP 90 H TRP 90 -6.842 -4.301 3.470 2 HA TRP 90 HA TRP 90 -6.367 -3.465 6.183 3 HB2 TRP 90 HB2 TRP 90 -6.501 -1.792 4.382 4 HB3 TRP 90 HB3 TRP 90 -8.142 -2.308 4.032 5 HD1 TRP 90 HD1 TRP 90 -6.538 -1.167 7.426 6 HE1 TRP 90 HE1 TRP 90 -8.004 0.676 8.392 7 HE3 TRP 90 HE3 TRP 90 -9.997 -0.792 3.625 8 HZ2 TRP 90 HZ2 TRP 90 -10.377 2.043 7.724 9 HZ3 TRP 90 HZ3 TRP 90 -11.820 0.820 3.872 10 HH2 TRP 90 HH2 TRP 90 -12.016 2.226 5.857 No H/Q in entry = 10 In of MODEL 28 1 H ASP 91 H ASP 91 -7.444 -4.119 7.858 2 HA ASP 91 HA ASP 91 -9.548 -6.004 7.679 3 HB2 ASP 91 HB2 ASP 91 -9.614 -5.789 10.176 4 HB3 ASP 91 HB3 ASP 91 -8.012 -6.143 9.537 No H/Q in entry = 4 In of MODEL 28 1 H ARG 92 H ARG 92 -11.487 -5.435 6.924 2 HA ARG 92 HA ARG 92 -13.278 -3.920 8.425 3 HB2 ARG 92 HB2 ARG 92 -13.396 -1.805 7.430 4 HB3 ARG 92 HB3 ARG 92 -11.667 -2.127 7.374 5 HG2 ARG 92 HG2 ARG 92 -12.021 -1.350 5.249 6 HG3 ARG 92 HG3 ARG 92 -12.152 -3.092 4.992 7 HD2 ARG 92 HD2 ARG 92 -14.646 -2.829 5.223 8 HD3 ARG 92 HD3 ARG 92 -14.402 -1.077 5.198 9 HE ARG 92 HE ARG 92 -13.118 -2.179 2.983 10 HH11 ARG 92 HH11 ARG 92 -16.323 -1.548 4.218 11 HH12 ARG 92 HH12 ARG 92 -17.091 -1.771 2.672 12 HH21 ARG 92 HH21 ARG 92 -14.130 -2.482 0.947 13 HH22 ARG 92 HH22 ARG 92 -15.858 -2.326 0.838 No H/Q in entry = 13 In of MODEL 28 1 H ASP 93 H ASP 93 -12.465 -5.910 5.942 2 HA ASP 93 HA ASP 93 -15.100 -6.484 5.065 3 HB2 ASP 93 HB2 ASP 93 -14.645 -4.334 3.847 4 HB3 ASP 93 HB3 ASP 93 -13.334 -5.158 3.010 No H/Q in entry = 4 In of MODEL 28 1 HA MET 94 HA MET 94 -11.346 -9.003 3.335 2 HB2 MET 94 HB2 MET 94 -10.029 -10.135 5.491 3 HB3 MET 94 HB3 MET 94 -9.388 -8.914 4.402 4 HG2 MET 94 HG2 MET 94 -9.091 -8.427 6.846 5 HG3 MET 94 HG3 MET 94 -9.877 -7.135 5.934 6 HE1 MET 94 HE1 MET 94 -10.982 -10.517 7.702 7 HE2 MET 94 HE2 MET 94 -9.997 -9.615 8.852 8 HE3 MET 94 HE3 MET 94 -11.718 -9.848 9.159 No H/Q in entry = 8 In of MODEL 29 1 HA MET 1 HA MET 1 5.055 -7.550 6.513 2 HB2 MET 1 HB2 MET 1 6.001 -8.174 8.721 3 HB3 MET 1 HB3 MET 1 6.158 -6.468 9.115 4 HG2 MET 1 HG2 MET 1 3.753 -6.194 9.001 5 HG3 MET 1 HG3 MET 1 3.566 -7.883 8.525 6 HE1 MET 1 HE1 MET 1 1.820 -8.290 10.451 7 HE2 MET 1 HE2 MET 1 2.109 -7.908 12.149 8 HE3 MET 1 HE3 MET 1 1.959 -6.611 10.965 No H/Q in entry = 8 In of MODEL 29 1 H ILE 2 H ILE 2 3.562 -6.162 5.881 2 HA ILE 2 HA ILE 2 4.163 -3.280 5.994 3 HB ILE 2 HB ILE 2 1.952 -4.480 4.327 4 HG12 ILE 2 HG12 ILE 2 4.718 -4.178 3.164 5 HG13 ILE 2 HG13 ILE 2 4.219 -5.683 3.937 6 HG21 ILE 2 HG21 ILE 2 2.217 -2.008 4.576 7 HG22 ILE 2 HG22 ILE 2 3.754 -2.143 3.720 8 HG23 ILE 2 HG23 ILE 2 2.253 -2.590 2.913 9 HD11 ILE 2 HD11 ILE 2 2.304 -5.795 2.357 10 HD12 ILE 2 HD12 ILE 2 2.951 -4.370 1.545 11 HD13 ILE 2 HD13 ILE 2 3.886 -5.868 1.574 No H/Q in entry = 11 In of MODEL 29 1 H GLN 3 H GLN 3 2.460 -1.826 6.624 2 HA GLN 3 HA GLN 3 0.100 -3.109 7.821 3 HB2 GLN 3 HB2 GLN 3 1.726 -0.836 8.983 4 HB3 GLN 3 HB3 GLN 3 0.186 -1.414 9.639 5 HG2 GLN 3 HG2 GLN 3 1.167 -3.565 10.181 6 HG3 GLN 3 HG3 GLN 3 2.703 -3.071 9.422 7 HE21 GLN 3 HE21 GLN 3 3.847 -3.361 11.330 8 HE22 GLN 3 HE22 GLN 3 3.713 -2.271 12.667 No H/Q in entry = 8 In of MODEL 29 1 H VAL 4 H VAL 4 -1.569 -2.468 6.595 2 HA VAL 4 HA VAL 4 -1.521 0.175 5.376 3 HB VAL 4 HB VAL 4 -3.750 -0.616 4.341 4 HG11 VAL 4 HG11 VAL 4 -1.658 -0.507 3.094 5 HG12 VAL 4 HG12 VAL 4 -1.202 -2.100 3.697 6 HG13 VAL 4 HG13 VAL 4 -2.595 -1.927 2.629 7 HG21 VAL 4 HG21 VAL 4 -4.169 -2.427 5.926 8 HG22 VAL 4 HG22 VAL 4 -4.087 -3.026 4.268 9 HG23 VAL 4 HG23 VAL 4 -2.724 -3.261 5.360 No H/Q in entry = 9 In of MODEL 29 1 H TYR 5 H TYR 5 -3.140 1.673 5.609 2 HA TYR 5 HA TYR 5 -5.138 1.447 7.691 3 HB2 TYR 5 HB2 TYR 5 -2.785 3.333 7.926 4 HB3 TYR 5 HB3 TYR 5 -4.304 3.604 8.769 5 HD1 TYR 5 HD1 TYR 5 -1.169 2.809 9.480 6 HD2 TYR 5 HD2 TYR 5 -4.993 0.962 9.832 7 HE1 TYR 5 HE1 TYR 5 -0.331 1.440 11.346 8 HE2 TYR 5 HE2 TYR 5 -4.154 -0.424 11.701 9 HH TYR 5 HH TYR 5 -1.066 0.179 13.172 No H/Q in entry = 9 In of MODEL 29 1 H SER 6 H SER 6 -6.192 3.790 7.877 2 HA SER 6 HA SER 6 -5.945 5.205 5.306 3 HB2 SER 6 HB2 SER 6 -8.528 4.624 6.793 4 HB3 SER 6 HB3 SER 6 -8.377 5.571 5.308 5 HG SER 6 HG SER 6 -7.303 3.000 5.287 No H/Q in entry = 5 In of MODEL 29 1 H ARG 7 H ARG 7 -6.600 7.460 5.417 2 HA ARG 7 HA ARG 7 -5.814 8.641 7.949 3 HB2 ARG 7 HB2 ARG 7 -5.356 9.342 5.353 4 HB3 ARG 7 HB3 ARG 7 -6.678 10.433 5.769 5 HG2 ARG 7 HG2 ARG 7 -4.260 10.175 7.530 6 HG3 ARG 7 HG3 ARG 7 -4.258 11.233 6.119 7 HD2 ARG 7 HD2 ARG 7 -6.417 11.398 8.198 8 HD3 ARG 7 HD3 ARG 7 -4.880 12.238 8.403 9 HE ARG 7 HE ARG 7 -5.677 13.001 5.933 10 HH11 ARG 7 HH11 ARG 7 -7.324 12.979 9.017 11 HH12 ARG 7 HH12 ARG 7 -8.210 14.437 8.703 12 HH21 ARG 7 HH21 ARG 7 -6.795 14.943 5.524 13 HH22 ARG 7 HH22 ARG 7 -7.886 15.574 6.726 No H/Q in entry = 13 In of MODEL 29 1 H HIS 8 H HIS 8 -8.702 7.727 6.533 2 HA HIS 8 HA HIS 8 -10.226 9.551 8.253 3 HB2 HIS 8 HB2 HIS 8 -10.895 8.764 5.405 4 HB3 HIS 8 HB3 HIS 8 -11.981 9.633 6.479 5 HD2 HIS 8 HD2 HIS 8 -10.716 12.187 7.374 6 HE1 HIS 8 HE1 HIS 8 -8.848 12.540 3.595 7 HE2 HIS 8 HE2 HIS 8 -9.709 13.806 5.615 No H/Q in entry = 7 In of MODEL 29 1 HA PRO 9 HA PRO 9 -12.536 5.890 9.423 2 HB2 PRO 9 HB2 PRO 9 -15.044 7.401 9.270 3 HB3 PRO 9 HB3 PRO 9 -14.241 6.703 10.686 4 HG2 PRO 9 HG2 PRO 9 -14.361 9.381 10.274 5 HG3 PRO 9 HG3 PRO 9 -12.954 8.608 11.039 6 HD2 PRO 9 HD2 PRO 9 -13.314 9.516 8.201 7 HD3 PRO 9 HD3 PRO 9 -11.910 9.747 9.274 No H/Q in entry = 7 In of MODEL 29 1 H ALA 10 H ALA 10 -13.446 4.224 8.326 2 HA ALA 10 HA ALA 10 -13.873 4.368 5.558 3 HB1 ALA 10 HB1 ALA 10 -14.587 2.046 5.726 4 HB2 ALA 10 HB2 ALA 10 -13.158 2.332 6.718 5 HB3 ALA 10 HB3 ALA 10 -14.745 2.207 7.474 No H/Q in entry = 5 In of MODEL 29 1 H GLU 11 H GLU 11 -15.544 5.702 4.809 2 HA GLU 11 HA GLU 11 -18.244 4.933 5.760 3 HB2 GLU 11 HB2 GLU 11 -17.044 7.530 5.318 4 HB3 GLU 11 HB3 GLU 11 -18.421 7.331 4.251 5 HG2 GLU 11 HG2 GLU 11 -18.918 8.454 6.388 6 HG3 GLU 11 HG3 GLU 11 -19.901 7.030 6.087 No H/Q in entry = 6 In of MODEL 29 1 H ASN 12 H ASN 12 -18.837 3.309 4.354 2 HA ASN 12 HA ASN 12 -18.268 2.894 1.740 3 HB2 ASN 12 HB2 ASN 12 -19.559 1.275 2.907 4 HB3 ASN 12 HB3 ASN 12 -20.837 2.419 3.288 5 HD21 ASN 12 HD21 ASN 12 -22.401 1.062 2.443 6 HD22 ASN 12 HD22 ASN 12 -22.590 0.802 0.739 No H/Q in entry = 6 In of MODEL 29 1 H GLY 13 H GLY 13 -18.177 4.301 0.175 2 HA2 GLY 13 HA2 GLY 13 -20.537 6.012 -0.382 3 HA3 GLY 13 HA3 GLY 13 -19.542 5.278 -1.624 No H/Q in entry = 3 In of MODEL 29 1 H LYS 14 H LYS 14 -17.527 6.376 0.825 2 HA LYS 14 HA LYS 14 -17.255 9.054 -0.384 3 HB2 LYS 14 HB2 LYS 14 -15.679 7.917 1.925 4 HB3 LYS 14 HB3 LYS 14 -15.795 9.595 1.445 5 HG2 LYS 14 HG2 LYS 14 -18.210 8.092 2.383 6 HG3 LYS 14 HG3 LYS 14 -17.041 8.765 3.507 7 HD2 LYS 14 HD2 LYS 14 -18.872 10.277 3.240 8 HD3 LYS 14 HD3 LYS 14 -17.401 10.998 2.593 9 HE2 LYS 14 HE2 LYS 14 -19.149 11.510 1.087 10 HE3 LYS 14 HE3 LYS 14 -18.169 10.264 0.323 11 HZ1 LYS 14 HZ1 LYS 14 -20.650 9.673 1.834 12 HZ2 LYS 14 HZ2 LYS 14 -20.636 9.959 0.164 13 HZ3 LYS 14 HZ3 LYS 14 -19.797 8.633 0.807 No H/Q in entry = 13 In of MODEL 29 1 H SER 15 H SER 15 -15.305 9.783 -1.281 2 HA SER 15 HA SER 15 -13.288 7.724 -1.736 3 HB2 SER 15 HB2 SER 15 -12.306 9.743 -3.163 4 HB3 SER 15 HB3 SER 15 -13.557 8.667 -3.799 5 HG SER 15 HG SER 15 -13.887 11.244 -2.638 No H/Q in entry = 5 In of MODEL 29 1 H ASN 16 H ASN 16 -11.228 7.920 -1.066 2 HA ASN 16 HA ASN 16 -10.308 10.088 0.610 3 HB2 ASN 16 HB2 ASN 16 -10.533 7.334 1.856 4 HB3 ASN 16 HB3 ASN 16 -10.011 8.816 2.633 5 HD21 ASN 16 HD21 ASN 16 -11.476 9.969 3.729 6 HD22 ASN 16 HD22 ASN 16 -13.181 9.649 3.730 No H/Q in entry = 6 In of MODEL 29 1 H PHE 17 H PHE 17 -8.221 8.413 1.829 2 HA PHE 17 HA PHE 17 -6.867 7.492 -0.620 3 HB2 PHE 17 HB2 PHE 17 -5.770 9.219 1.600 4 HB3 PHE 17 HB3 PHE 17 -4.734 8.367 0.460 5 HD1 PHE 17 HD1 PHE 17 -6.264 8.695 -2.032 6 HD2 PHE 17 HD2 PHE 17 -5.434 11.476 1.080 7 HE1 PHE 17 HE1 PHE 17 -6.467 10.548 -3.641 8 HE2 PHE 17 HE2 PHE 17 -5.646 13.331 -0.519 9 HZ PHE 17 HZ PHE 17 -6.163 12.869 -2.884 No H/Q in entry = 9 In of MODEL 29 1 H LEU 18 H LEU 18 -5.844 5.564 -0.518 2 HA LEU 18 HA LEU 18 -5.935 4.111 2.023 3 HB2 LEU 18 HB2 LEU 18 -6.714 2.821 0.182 4 HB3 LEU 18 HB3 LEU 18 -5.340 3.274 -0.806 5 HG LEU 18 HG LEU 18 -3.857 1.831 0.507 6 HD11 LEU 18 HD11 LEU 18 -6.304 1.166 2.150 7 HD12 LEU 18 HD12 LEU 18 -4.755 0.334 2.230 8 HD13 LEU 18 HD13 LEU 18 -4.866 2.025 2.711 9 HD21 LEU 18 HD21 LEU 18 -6.403 0.460 -0.347 10 HD22 LEU 18 HD22 LEU 18 -5.004 0.816 -1.359 11 HD23 LEU 18 HD23 LEU 18 -4.866 -0.346 -0.042 No H/Q in entry = 11 In of MODEL 29 1 H ASN 19 H ASN 19 -4.253 3.851 3.299 2 HA ASN 19 HA ASN 19 -1.634 4.811 2.324 3 HB2 ASN 19 HB2 ASN 19 -1.952 6.251 4.086 4 HB3 ASN 19 HB3 ASN 19 -3.014 5.138 4.950 5 HD21 ASN 19 HD21 ASN 19 -2.103 3.649 6.377 6 HD22 ASN 19 HD22 ASN 19 -0.471 3.779 6.922 No H/Q in entry = 6 In of MODEL 29 1 H CYS 20 H CYS 20 -0.199 3.294 1.884 2 HA CYS 20 HA CYS 20 -0.171 0.857 3.540 3 HB2 CYS 20 HB2 CYS 20 -0.465 0.201 1.270 4 HB3 CYS 20 HB3 CYS 20 0.675 1.414 0.673 No H/Q in entry = 4 In of MODEL 29 1 H TYR 21 H TYR 21 1.350 1.019 5.072 2 HA TYR 21 HA TYR 21 3.603 2.842 4.607 3 HB2 TYR 21 HB2 TYR 21 2.664 3.594 6.562 4 HB3 TYR 21 HB3 TYR 21 2.093 2.019 7.043 5 HD1 TYR 21 HD1 TYR 21 3.340 0.697 8.588 6 HD2 TYR 21 HD2 TYR 21 5.008 4.259 6.980 7 HE1 TYR 21 HE1 TYR 21 5.105 0.634 10.298 8 HE2 TYR 21 HE2 TYR 21 6.778 4.215 8.684 9 HH TYR 21 HH TYR 21 7.179 3.288 10.891 No H/Q in entry = 9 In of MODEL 29 1 H VAL 22 H VAL 22 5.267 1.874 3.702 2 HA VAL 22 HA VAL 22 6.032 -0.834 4.495 3 HB VAL 22 HB VAL 22 7.117 0.891 2.239 4 HG11 VAL 22 HG11 VAL 22 8.577 -0.982 2.955 5 HG12 VAL 22 HG12 VAL 22 7.263 -2.103 2.580 6 HG13 VAL 22 HG13 VAL 22 7.993 -1.134 1.292 7 HG21 VAL 22 HG21 VAL 22 4.937 -1.191 2.158 8 HG22 VAL 22 HG22 VAL 22 4.746 0.544 1.898 9 HG23 VAL 22 HG23 VAL 22 5.670 -0.424 0.749 No H/Q in entry = 9 In of MODEL 29 1 H SER 23 H SER 23 7.743 -1.164 5.718 2 HA SER 23 HA SER 23 9.172 0.959 6.948 3 HB2 SER 23 HB2 SER 23 8.590 -0.987 8.191 4 HB3 SER 23 HB3 SER 23 9.515 -2.031 7.102 5 HG SER 23 HG SER 23 10.334 -0.681 9.285 No H/Q in entry = 5 In of MODEL 29 1 H GLY 24 H GLY 24 11.947 -0.477 6.950 2 HA2 GLY 24 HA2 GLY 24 13.683 0.967 6.377 3 HA3 GLY 24 HA3 GLY 24 12.659 1.733 5.172 No H/Q in entry = 3 In of MODEL 29 1 H PHE 25 H PHE 25 11.926 0.050 3.469 2 HA PHE 25 HA PHE 25 14.215 -1.505 2.505 3 HB2 PHE 25 HB2 PHE 25 11.433 -1.068 1.399 4 HB3 PHE 25 HB3 PHE 25 12.636 -2.131 0.685 5 HD1 PHE 25 HD1 PHE 25 12.779 -4.394 1.360 6 HD2 PHE 25 HD2 PHE 25 10.569 -1.631 3.744 7 HE1 PHE 25 HE1 PHE 25 11.859 -6.271 2.692 8 HE2 PHE 25 HE2 PHE 25 9.661 -3.497 5.082 9 HZ PHE 25 HZ PHE 25 10.284 -5.808 4.522 No H/Q in entry = 9 In of MODEL 29 1 H HIS 26 H HIS 26 15.245 -0.846 0.463 2 HA HIS 26 HA HIS 26 15.400 1.990 0.247 3 HB2 HIS 26 HB2 HIS 26 16.684 1.380 -1.951 4 HB3 HIS 26 HB3 HIS 26 17.399 1.053 -0.397 5 HD2 HIS 26 HD2 HIS 26 14.820 -1.421 -1.970 6 HE1 HIS 26 HE1 HIS 26 18.652 -3.207 -1.891 7 HE2 HIS 26 HE2 HIS 26 16.227 -3.519 -2.542 No H/Q in entry = 7 In of MODEL 29 1 HA PRO 27 HA PRO 27 11.752 2.641 -2.196 2 HB2 PRO 27 HB2 PRO 27 13.172 5.204 -2.740 3 HB3 PRO 27 HB3 PRO 27 11.524 4.940 -2.152 4 HG2 PRO 27 HG2 PRO 27 13.443 5.761 -0.493 5 HG3 PRO 27 HG3 PRO 27 12.218 4.574 0.049 6 HD2 PRO 27 HD2 PRO 27 15.081 4.160 -0.774 7 HD3 PRO 27 HD3 PRO 27 14.152 3.370 0.520 No H/Q in entry = 7 In of MODEL 29 1 H SER 28 H SER 28 14.924 2.381 -3.283 2 HA SER 28 HA SER 28 14.289 2.913 -6.061 3 HB2 SER 28 HB2 SER 28 16.383 3.810 -5.283 4 HB3 SER 28 HB3 SER 28 16.894 2.235 -4.681 5 HG SER 28 HG SER 28 16.587 3.091 -7.358 No H/Q in entry = 5 In of MODEL 29 1 H ASP 29 H ASP 29 15.169 0.083 -3.975 2 HA ASP 29 HA ASP 29 14.673 -1.557 -6.402 3 HB2 ASP 29 HB2 ASP 29 16.385 -2.298 -4.023 4 HB3 ASP 29 HB3 ASP 29 16.004 -3.357 -5.373 No H/Q in entry = 4 In of MODEL 29 1 H ILE 30 H ILE 30 12.452 -0.741 -4.807 2 HA ILE 30 HA ILE 30 11.595 -3.453 -4.094 3 HB ILE 30 HB ILE 30 10.620 -2.943 -2.096 4 HG12 ILE 30 HG12 ILE 30 10.401 -0.025 -2.896 5 HG13 ILE 30 HG13 ILE 30 9.111 -1.219 -2.942 6 HG21 ILE 30 HG21 ILE 30 12.851 -0.948 -2.223 7 HG22 ILE 30 HG22 ILE 30 12.018 -1.407 -0.737 8 HG23 ILE 30 HG23 ILE 30 12.920 -2.614 -1.653 9 HD11 ILE 30 HD11 ILE 30 9.389 -1.455 -0.450 10 HD12 ILE 30 HD12 ILE 30 10.447 -0.042 -0.533 11 HD13 ILE 30 HD13 ILE 30 8.764 0.093 -1.020 No H/Q in entry = 11 In of MODEL 29 1 H GLU 31 H GLU 31 9.208 -3.632 -4.133 2 HA GLU 31 HA GLU 31 8.009 -1.730 -5.988 3 HB2 GLU 31 HB2 GLU 31 9.119 -4.057 -6.694 4 HB3 GLU 31 HB3 GLU 31 7.490 -4.591 -6.394 5 HG2 GLU 31 HG2 GLU 31 6.704 -2.882 -8.042 6 HG3 GLU 31 HG3 GLU 31 8.400 -2.461 -8.342 No H/Q in entry = 6 In of MODEL 29 1 H VAL 32 H VAL 32 6.586 -0.945 -4.553 2 HA VAL 32 HA VAL 32 4.747 -2.810 -3.240 3 HB VAL 32 HB VAL 32 5.407 -1.687 -1.370 4 HG11 VAL 32 HG11 VAL 32 7.254 -0.600 -2.519 5 HG12 VAL 32 HG12 VAL 32 6.171 0.685 -3.050 6 HG13 VAL 32 HG13 VAL 32 6.509 0.468 -1.330 7 HG21 VAL 32 HG21 VAL 32 3.659 0.457 -2.564 8 HG22 VAL 32 HG22 VAL 32 3.120 -0.919 -1.602 9 HG23 VAL 32 HG23 VAL 32 4.115 0.337 -0.865 No H/Q in entry = 9 In of MODEL 29 1 H ASP 33 H ASP 33 2.610 -2.677 -3.727 2 HA ASP 33 HA ASP 33 1.678 -0.371 -5.294 3 HB2 ASP 33 HB2 ASP 33 1.348 -3.297 -6.077 4 HB3 ASP 33 HB3 ASP 33 0.364 -2.000 -6.749 No H/Q in entry = 4 In of MODEL 29 1 H LEU 34 H LEU 34 -0.739 -0.377 -5.432 2 HA LEU 34 HA LEU 34 -1.877 -1.387 -2.912 3 HB2 LEU 34 HB2 LEU 34 -2.355 1.125 -4.454 4 HB3 LEU 34 HB3 LEU 34 -3.692 0.450 -3.544 5 HG LEU 34 HG LEU 34 -2.263 0.549 -1.480 6 HD11 LEU 34 HD11 LEU 34 -0.404 2.088 -3.276 7 HD12 LEU 34 HD12 LEU 34 -0.304 2.025 -1.516 8 HD13 LEU 34 HD13 LEU 34 -0.068 0.557 -2.461 9 HD21 LEU 34 HD21 LEU 34 -3.906 2.286 -1.989 10 HD22 LEU 34 HD22 LEU 34 -2.503 2.927 -1.134 11 HD23 LEU 34 HD23 LEU 34 -2.672 3.185 -2.870 No H/Q in entry = 11 In of MODEL 29 1 H LEU 35 H LEU 35 -3.500 -2.802 -3.008 2 HA LEU 35 HA LEU 35 -4.451 -3.579 -5.688 3 HB2 LEU 35 HB2 LEU 35 -3.892 -5.415 -3.359 4 HB3 LEU 35 HB3 LEU 35 -4.426 -5.879 -4.952 5 HG LEU 35 HG LEU 35 -1.705 -5.025 -4.051 6 HD11 LEU 35 HD11 LEU 35 -2.822 -7.298 -5.699 7 HD12 LEU 35 HD12 LEU 35 -1.112 -7.060 -5.368 8 HD13 LEU 35 HD13 LEU 35 -2.233 -7.394 -4.038 9 HD21 LEU 35 HD21 LEU 35 -2.269 -3.627 -6.043 10 HD22 LEU 35 HD22 LEU 35 -0.949 -4.765 -6.318 11 HD23 LEU 35 HD23 LEU 35 -2.557 -5.111 -6.945 No H/Q in entry = 11 In of MODEL 29 1 H LYS 36 H LYS 36 -6.341 -4.974 -5.674 2 HA LYS 36 HA LYS 36 -8.127 -4.773 -3.351 3 HB2 LYS 36 HB2 LYS 36 -9.210 -5.283 -6.097 4 HB3 LYS 36 HB3 LYS 36 -9.995 -4.486 -4.719 5 HG2 LYS 36 HG2 LYS 36 -8.640 -2.509 -5.119 6 HG3 LYS 36 HG3 LYS 36 -7.798 -3.309 -6.440 7 HD2 LYS 36 HD2 LYS 36 -9.552 -1.727 -7.228 8 HD3 LYS 36 HD3 LYS 36 -9.798 -3.386 -7.792 9 HE2 LYS 36 HE2 LYS 36 -11.901 -2.209 -7.045 10 HE3 LYS 36 HE3 LYS 36 -11.590 -3.707 -6.164 11 HZ1 LYS 36 HZ1 LYS 36 -10.617 -2.318 -4.380 12 HZ2 LYS 36 HZ2 LYS 36 -11.089 -0.936 -5.238 13 HZ3 LYS 36 HZ3 LYS 36 -12.257 -2.006 -4.656 No H/Q in entry = 13 In of MODEL 29 1 H ASN 37 H ASN 37 -7.972 -6.857 -2.464 2 HA ASN 37 HA ASN 37 -7.819 -9.159 -2.396 3 HB2 ASN 37 HB2 ASN 37 -9.567 -9.067 -4.839 4 HB3 ASN 37 HB3 ASN 37 -9.645 -10.251 -3.559 5 HD21 ASN 37 HD21 ASN 37 -10.357 -7.045 -4.625 6 HD22 ASN 37 HD22 ASN 37 -11.563 -6.669 -3.458 No H/Q in entry = 6 In of MODEL 29 1 H GLY 38 H GLY 38 -5.625 -8.106 -3.694 2 HA2 GLY 38 HA2 GLY 38 -4.853 -10.275 -5.399 3 HA3 GLY 38 HA3 GLY 38 -3.847 -8.909 -4.961 No H/Q in entry = 3 In of MODEL 29 1 H GLU 39 H GLU 39 -5.907 -6.973 -6.068 2 HA GLU 39 HA GLU 39 -5.321 -7.431 -8.902 3 HB2 GLU 39 HB2 GLU 39 -7.689 -8.033 -8.394 4 HB3 GLU 39 HB3 GLU 39 -7.950 -6.406 -7.823 5 HG2 GLU 39 HG2 GLU 39 -6.937 -6.597 -10.551 6 HG3 GLU 39 HG3 GLU 39 -8.575 -7.192 -10.310 No H/Q in entry = 6 In of MODEL 29 1 H ARG 40 H ARG 40 -4.131 -5.845 -9.642 2 HA ARG 40 HA ARG 40 -3.357 -3.614 -8.173 3 HB2 ARG 40 HB2 ARG 40 -2.399 -4.857 -10.366 4 HB3 ARG 40 HB3 ARG 40 -3.157 -3.478 -11.145 5 HG2 ARG 40 HG2 ARG 40 -1.776 -1.943 -9.888 6 HG3 ARG 40 HG3 ARG 40 -1.112 -3.276 -8.951 7 HD2 ARG 40 HD2 ARG 40 -0.806 -3.135 -11.957 8 HD3 ARG 40 HD3 ARG 40 0.358 -2.426 -10.826 9 HE ARG 40 HE ARG 40 -0.277 -5.301 -11.020 10 HH11 ARG 40 HH11 ARG 40 1.877 -2.671 -10.181 11 HH12 ARG 40 HH12 ARG 40 3.165 -3.721 -9.680 12 HH21 ARG 40 HH21 ARG 40 1.455 -6.688 -10.410 13 HH22 ARG 40 HH22 ARG 40 2.943 -5.988 -9.840 No H/Q in entry = 13 In of MODEL 29 1 H ILE 41 H ILE 41 -4.441 -1.884 -7.626 2 HA ILE 41 HA ILE 41 -6.919 -1.104 -8.635 3 HB ILE 41 HB ILE 41 -4.911 0.504 -7.052 4 HG12 ILE 41 HG12 ILE 41 -7.288 -1.131 -6.152 5 HG13 ILE 41 HG13 ILE 41 -5.609 -1.651 -6.027 6 HG21 ILE 41 HG21 ILE 41 -6.575 1.969 -8.088 7 HG22 ILE 41 HG22 ILE 41 -7.870 0.967 -7.440 8 HG23 ILE 41 HG23 ILE 41 -6.824 1.871 -6.346 9 HD11 ILE 41 HD11 ILE 41 -6.537 0.866 -4.713 10 HD12 ILE 41 HD12 ILE 41 -6.776 -0.718 -3.969 11 HD13 ILE 41 HD13 ILE 41 -5.141 -0.161 -4.344 No H/Q in entry = 11 In of MODEL 29 1 H GLU 42 H GLU 42 -4.202 1.169 -8.708 2 HA GLU 42 HA GLU 42 -2.878 1.216 -10.865 3 HB2 GLU 42 HB2 GLU 42 -5.606 1.928 -11.969 4 HB3 GLU 42 HB3 GLU 42 -4.096 2.292 -12.785 5 HG2 GLU 42 HG2 GLU 42 -3.615 -0.210 -12.666 6 HG3 GLU 42 HG3 GLU 42 -5.326 -0.381 -12.247 No H/Q in entry = 6 In of MODEL 29 1 H LYS 43 H LYS 43 -5.294 3.277 -9.293 2 HA LYS 43 HA LYS 43 -4.172 5.693 -10.416 3 HB2 LYS 43 HB2 LYS 43 -6.157 5.485 -8.149 4 HB3 LYS 43 HB3 LYS 43 -5.901 6.840 -9.233 5 HG2 LYS 43 HG2 LYS 43 -7.247 4.210 -9.868 6 HG3 LYS 43 HG3 LYS 43 -7.959 5.820 -9.848 7 HD2 LYS 43 HD2 LYS 43 -5.846 4.858 -11.775 8 HD3 LYS 43 HD3 LYS 43 -7.562 5.046 -12.134 9 HE2 LYS 43 HE2 LYS 43 -7.345 7.464 -11.556 10 HE3 LYS 43 HE3 LYS 43 -5.608 7.219 -11.401 11 HZ1 LYS 43 HZ1 LYS 43 -7.118 6.625 -13.884 12 HZ2 LYS 43 HZ2 LYS 43 -6.357 8.114 -13.582 13 HZ3 LYS 43 HZ3 LYS 43 -5.432 6.695 -13.686 No H/Q in entry = 13 In of MODEL 29 1 H VAL 44 H VAL 44 -2.051 4.633 -9.283 2 HA VAL 44 HA VAL 44 -1.841 5.834 -6.621 3 HB VAL 44 HB VAL 44 -1.852 3.111 -7.006 4 HG11 VAL 44 HG11 VAL 44 1.018 3.978 -6.900 5 HG12 VAL 44 HG12 VAL 44 0.448 2.334 -6.608 6 HG13 VAL 44 HG13 VAL 44 0.240 3.071 -8.197 7 HG21 VAL 44 HG21 VAL 44 -2.121 4.252 -4.887 8 HG22 VAL 44 HG22 VAL 44 -0.942 2.949 -4.754 9 HG23 VAL 44 HG23 VAL 44 -0.397 4.625 -4.854 No H/Q in entry = 9 In of MODEL 29 1 H GLU 45 H GLU 45 -0.081 7.053 -6.335 2 HA GLU 45 HA GLU 45 2.155 6.832 -8.224 3 HB2 GLU 45 HB2 GLU 45 0.389 9.211 -7.885 4 HB3 GLU 45 HB3 GLU 45 2.100 9.471 -8.199 5 HG2 GLU 45 HG2 GLU 45 0.204 7.898 -9.927 6 HG3 GLU 45 HG3 GLU 45 0.813 9.521 -10.254 No H/Q in entry = 6 In of MODEL 29 1 H HIS 46 H HIS 46 3.797 6.347 -6.824 2 HA HIS 46 HA HIS 46 4.797 8.736 -5.538 3 HB2 HIS 46 HB2 HIS 46 3.666 7.552 -3.678 4 HB3 HIS 46 HB3 HIS 46 4.625 6.123 -4.022 5 HD2 HIS 46 HD2 HIS 46 5.388 9.856 -2.884 6 HE1 HIS 46 HE1 HIS 46 8.325 7.210 -1.376 7 HE2 HIS 46 HE2 HIS 46 7.445 9.584 -1.315 No H/Q in entry = 7 In of MODEL 29 1 H SER 47 H SER 47 6.925 8.929 -5.852 2 HA SER 47 HA SER 47 8.602 6.577 -6.066 3 HB2 SER 47 HB2 SER 47 9.632 7.409 -8.234 4 HB3 SER 47 HB3 SER 47 8.014 6.721 -8.375 5 HG SER 47 HG SER 47 7.157 8.764 -8.553 No H/Q in entry = 5 In of MODEL 29 1 H ASP 48 H ASP 48 10.364 6.993 -4.831 2 HA ASP 48 HA ASP 48 11.492 9.671 -4.890 3 HB2 ASP 48 HB2 ASP 48 9.690 9.316 -2.968 4 HB3 ASP 48 HB3 ASP 48 11.061 8.555 -2.162 No H/Q in entry = 4 In of MODEL 29 1 H LEU 49 H LEU 49 13.489 9.765 -3.560 2 HA LEU 49 HA LEU 49 15.676 9.197 -3.438 3 HB2 LEU 49 HB2 LEU 49 14.393 6.653 -2.433 4 HB3 LEU 49 HB3 LEU 49 16.114 7.005 -2.305 5 HG LEU 49 HG LEU 49 15.068 9.231 -1.127 6 HD11 LEU 49 HD11 LEU 49 12.742 8.468 -1.283 7 HD12 LEU 49 HD12 LEU 49 13.162 7.015 -0.380 8 HD13 LEU 49 HD13 LEU 49 13.269 8.591 0.396 9 HD21 LEU 49 HD21 LEU 49 15.684 6.614 0.253 10 HD22 LEU 49 HD22 LEU 49 16.819 7.922 -0.107 11 HD23 LEU 49 HD23 LEU 49 15.521 8.172 1.058 No H/Q in entry = 11 In of MODEL 29 1 H SER 50 H SER 50 17.315 8.545 -4.578 2 HA SER 50 HA SER 50 16.774 6.959 -6.966 3 HB2 SER 50 HB2 SER 50 19.103 7.793 -7.603 4 HB3 SER 50 HB3 SER 50 17.847 9.023 -7.458 5 HG SER 50 HG SER 50 18.957 9.914 -5.922 No H/Q in entry = 5 In of MODEL 29 1 H PHE 51 H PHE 51 18.881 7.060 -4.151 2 HA PHE 51 HA PHE 51 19.155 4.161 -4.334 3 HB2 PHE 51 HB2 PHE 51 21.201 5.064 -5.372 4 HB3 PHE 51 HB3 PHE 51 21.507 6.030 -3.933 5 HD1 PHE 51 HD1 PHE 51 22.862 5.192 -2.266 6 HD2 PHE 51 HD2 PHE 51 21.042 2.496 -5.009 7 HE1 PHE 51 HE1 PHE 51 24.142 3.331 -1.286 8 HE2 PHE 51 HE2 PHE 51 22.319 0.634 -4.038 9 HZ PHE 51 HZ PHE 51 23.871 1.049 -2.173 No H/Q in entry = 9 In of MODEL 29 1 H SER 52 H SER 52 19.497 3.152 -2.305 2 HA SER 52 HA SER 52 19.796 4.651 0.100 3 HB2 SER 52 HB2 SER 52 17.402 5.141 -0.493 4 HB3 SER 52 HB3 SER 52 17.073 3.412 -0.401 5 HG SER 52 HG SER 52 17.416 5.257 1.609 No H/Q in entry = 5 In of MODEL 29 1 H LYS 53 H LYS 53 19.510 3.154 2.016 2 HA LYS 53 HA LYS 53 19.824 0.315 1.302 3 HB2 LYS 53 HB2 LYS 53 21.445 1.726 3.436 4 HB3 LYS 53 HB3 LYS 53 21.569 0.039 2.974 5 HG2 LYS 53 HG2 LYS 53 23.370 0.834 1.872 6 HG3 LYS 53 HG3 LYS 53 22.157 1.131 0.624 7 HD2 LYS 53 HD2 LYS 53 22.211 3.386 0.919 8 HD3 LYS 53 HD3 LYS 53 22.563 3.260 2.646 9 HE2 LYS 53 HE2 LYS 53 24.507 2.749 0.396 10 HE3 LYS 53 HE3 LYS 53 24.457 4.190 1.412 11 HZ1 LYS 53 HZ1 LYS 53 24.812 2.645 3.345 12 HZ2 LYS 53 HZ2 LYS 53 25.144 1.420 2.220 13 HZ3 LYS 53 HZ3 LYS 53 26.129 2.797 2.285 No H/Q in entry = 13 In of MODEL 29 1 H ASP 54 H ASP 54 20.412 0.037 4.323 2 HA ASP 54 HA ASP 54 17.711 -0.242 5.246 3 HB2 ASP 54 HB2 ASP 54 18.727 -1.043 7.309 4 HB3 ASP 54 HB3 ASP 54 19.562 -1.761 5.935 No H/Q in entry = 4 In of MODEL 29 1 H TRP 55 H TRP 55 18.474 2.418 4.468 2 HA TRP 55 HA TRP 55 18.333 3.857 7.021 3 HB2 TRP 55 HB2 TRP 55 20.235 4.790 6.139 4 HB3 TRP 55 HB3 TRP 55 19.777 4.419 4.481 5 HD1 TRP 55 HD1 TRP 55 18.559 6.921 7.250 6 HE1 TRP 55 HE1 TRP 55 17.967 9.124 6.070 7 HE3 TRP 55 HE3 TRP 55 19.610 5.599 2.361 8 HZ2 TRP 55 HZ2 TRP 55 17.989 10.196 3.467 9 HZ3 TRP 55 HZ3 TRP 55 19.297 7.291 0.616 10 HH2 TRP 55 HH2 TRP 55 18.507 9.541 1.147 No H/Q in entry = 10 In of MODEL 29 1 H SER 56 H SER 56 16.791 3.093 4.067 2 HA SER 56 HA SER 56 15.164 5.217 3.500 3 HB2 SER 56 HB2 SER 56 15.256 3.108 2.206 4 HB3 SER 56 HB3 SER 56 14.370 2.295 3.497 5 HG SER 56 HG SER 56 12.836 2.877 2.072 No H/Q in entry = 5 In of MODEL 29 1 H PHE 57 H PHE 57 13.021 5.937 4.308 2 HA PHE 57 HA PHE 57 12.709 5.144 7.092 3 HB2 PHE 57 HB2 PHE 57 11.651 7.487 7.237 4 HB3 PHE 57 HB3 PHE 57 13.398 7.394 7.045 5 HD1 PHE 57 HD1 PHE 57 14.426 7.916 4.850 6 HD2 PHE 57 HD2 PHE 57 10.271 8.491 5.578 7 HE1 PHE 57 HE1 PHE 57 14.288 9.378 2.876 8 HE2 PHE 57 HE2 PHE 57 10.125 9.958 3.606 9 HZ PHE 57 HZ PHE 57 12.134 10.401 2.255 No H/Q in entry = 9 In of MODEL 29 1 H TYR 58 H TYR 58 10.248 6.896 6.980 2 HA TYR 58 HA TYR 58 8.210 5.011 6.593 3 HB2 TYR 58 HB2 TYR 58 8.076 7.072 7.967 4 HB3 TYR 58 HB3 TYR 58 8.186 8.061 6.523 5 HD1 TYR 58 HD1 TYR 58 6.239 8.058 4.885 6 HD2 TYR 58 HD2 TYR 58 5.963 6.249 8.733 7 HE1 TYR 58 HE1 TYR 58 3.765 8.126 4.737 8 HE2 TYR 58 HE2 TYR 58 3.495 6.305 8.591 9 HH TYR 58 HH TYR 58 1.825 6.842 5.757 No H/Q in entry = 9 In of MODEL 29 1 H LEU 59 H LEU 59 7.876 4.037 4.622 2 HA LEU 59 HA LEU 59 7.838 5.687 2.175 3 HB2 LEU 59 HB2 LEU 59 8.479 2.891 2.830 4 HB3 LEU 59 HB3 LEU 59 7.456 3.054 1.422 5 HG LEU 59 HG LEU 59 10.120 4.476 1.665 6 HD11 LEU 59 HD11 LEU 59 9.489 1.733 0.602 7 HD12 LEU 59 HD12 LEU 59 10.942 2.632 0.176 8 HD13 LEU 59 HD13 LEU 59 10.648 2.173 1.853 9 HD21 LEU 59 HD21 LEU 59 8.154 3.959 -0.549 10 HD22 LEU 59 HD22 LEU 59 8.869 5.492 -0.039 11 HD23 LEU 59 HD23 LEU 59 9.846 4.297 -0.886 No H/Q in entry = 11 In of MODEL 29 1 H LEU 60 H LEU 60 5.851 6.303 1.415 2 HA LEU 60 HA LEU 60 3.573 4.492 1.768 3 HB2 LEU 60 HB2 LEU 60 3.215 6.009 3.506 4 HB3 LEU 60 HB3 LEU 60 3.800 7.361 2.562 5 HG LEU 60 HG LEU 60 1.739 7.194 1.162 6 HD11 LEU 60 HD11 LEU 60 0.931 5.219 3.285 7 HD12 LEU 60 HD12 LEU 60 -0.155 5.933 2.093 8 HD13 LEU 60 HD13 LEU 60 1.166 4.889 1.568 9 HD21 LEU 60 HD21 LEU 60 1.336 7.637 4.119 10 HD22 LEU 60 HD22 LEU 60 1.923 8.829 2.958 11 HD23 LEU 60 HD23 LEU 60 0.274 8.216 2.834 No H/Q in entry = 11 In of MODEL 29 1 H TYR 61 H TYR 61 2.065 4.535 0.160 2 HA TYR 61 HA TYR 61 2.480 6.326 -2.151 3 HB2 TYR 61 HB2 TYR 61 1.740 3.369 -2.091 4 HB3 TYR 61 HB3 TYR 61 1.544 4.375 -3.533 5 HD1 TYR 61 HD1 TYR 61 3.181 4.064 -5.116 6 HD2 TYR 61 HD2 TYR 61 4.292 3.771 -1.023 7 HE1 TYR 61 HE1 TYR 61 5.498 3.610 -5.795 8 HE2 TYR 61 HE2 TYR 61 6.620 3.314 -1.697 9 HH TYR 61 HH TYR 61 7.761 3.815 -4.828 No H/Q in entry = 9 In of MODEL 29 1 H TYR 62 H TYR 62 0.327 6.684 -3.394 2 HA TYR 62 HA TYR 62 -1.910 6.386 -1.533 3 HB2 TYR 62 HB2 TYR 62 -2.630 8.760 -2.017 4 HB3 TYR 62 HB3 TYR 62 -1.249 8.553 -0.956 5 HD1 TYR 62 HD1 TYR 62 0.855 9.509 -1.493 6 HD2 TYR 62 HD2 TYR 62 -2.266 9.560 -4.385 7 HE1 TYR 62 HE1 TYR 62 2.142 11.111 -2.853 8 HE2 TYR 62 HE2 TYR 62 -0.990 11.157 -5.746 9 HH TYR 62 HH TYR 62 2.224 11.750 -5.370 No H/Q in entry = 9 In of MODEL 29 1 H THR 63 H THR 63 -3.891 6.018 -2.411 2 HA THR 63 HA THR 63 -4.344 6.589 -5.239 3 HB THR 63 HB THR 63 -3.618 4.136 -5.025 4 HG1 THR 63 HG1 THR 63 -6.270 4.506 -6.004 5 HG21 THR 63 HG21 THR 63 -6.344 3.910 -3.757 6 HG22 THR 63 HG22 THR 63 -5.380 2.556 -4.337 7 HG23 THR 63 HG23 THR 63 -4.810 3.529 -2.984 No H/Q in entry = 7 In of MODEL 29 1 H GLU 64 H GLU 64 -6.405 7.191 -5.682 2 HA GLU 64 HA GLU 64 -8.292 7.876 -3.738 3 HB2 GLU 64 HB2 GLU 64 -8.095 8.558 -6.260 4 HB3 GLU 64 HB3 GLU 64 -9.025 7.098 -6.563 5 HG2 GLU 64 HG2 GLU 64 -10.677 8.678 -6.514 6 HG3 GLU 64 HG3 GLU 64 -10.695 8.105 -4.848 No H/Q in entry = 6 In of MODEL 29 1 H PHE 65 H PHE 65 -9.946 6.700 -2.715 2 HA PHE 65 HA PHE 65 -10.695 4.155 -3.962 3 HB2 PHE 65 HB2 PHE 65 -10.625 2.938 -1.921 4 HB3 PHE 65 HB3 PHE 65 -9.109 3.787 -2.069 5 HD1 PHE 65 HD1 PHE 65 -12.427 4.802 -0.658 6 HD2 PHE 65 HD2 PHE 65 -8.260 4.249 -0.027 7 HE1 PHE 65 HE1 PHE 65 -12.662 5.635 1.646 8 HE2 PHE 65 HE2 PHE 65 -8.506 5.087 2.286 9 HZ PHE 65 HZ PHE 65 -10.721 5.767 3.122 No H/Q in entry = 9 In of MODEL 29 1 H THR 66 H THR 66 -12.837 3.419 -3.511 2 HA THR 66 HA THR 66 -14.420 5.034 -1.629 3 HB THR 66 HB THR 66 -15.401 4.019 -4.323 4 HG1 THR 66 HG1 THR 66 -14.163 6.315 -3.551 5 HG21 THR 66 HG21 THR 66 -16.788 5.604 -2.146 6 HG22 THR 66 HG22 THR 66 -17.427 5.362 -3.776 7 HG23 THR 66 HG23 THR 66 -17.197 3.980 -2.708 No H/Q in entry = 7 In of MODEL 29 1 HA PRO 67 HA PRO 67 -14.639 0.742 -0.270 2 HB2 PRO 67 HB2 PRO 67 -15.978 1.401 2.136 3 HB3 PRO 67 HB3 PRO 67 -14.264 1.075 1.918 4 HG2 PRO 67 HG2 PRO 67 -15.440 3.565 2.555 5 HG3 PRO 67 HG3 PRO 67 -13.745 3.241 2.173 6 HD2 PRO 67 HD2 PRO 67 -15.818 4.485 0.543 7 HD3 PRO 67 HD3 PRO 67 -14.057 4.506 0.330 No H/Q in entry = 7 In of MODEL 29 1 H THR 68 H THR 68 -15.962 -0.792 -0.287 2 HA THR 68 HA THR 68 -18.861 -0.422 -0.148 3 HB THR 68 HB THR 68 -19.230 -1.861 -2.059 4 HG1 THR 68 HG1 THR 68 -16.992 -2.372 -3.195 5 HG21 THR 68 HG21 THR 68 -18.790 0.484 -2.656 6 HG22 THR 68 HG22 THR 68 -17.072 0.112 -2.816 7 HG23 THR 68 HG23 THR 68 -18.237 -0.622 -3.915 No H/Q in entry = 7 In of MODEL 29 1 H GLU 69 H GLU 69 -19.887 -2.509 0.466 2 HA GLU 69 HA GLU 69 -18.328 -4.055 2.246 3 HB2 GLU 69 HB2 GLU 69 -20.307 -5.497 2.461 4 HB3 GLU 69 HB3 GLU 69 -20.700 -3.791 2.636 5 HG2 GLU 69 HG2 GLU 69 -21.174 -5.500 0.213 6 HG3 GLU 69 HG3 GLU 69 -22.379 -4.998 1.384 No H/Q in entry = 6 In of MODEL 29 1 H LYS 70 H LYS 70 -18.026 -4.088 -0.992 2 HA LYS 70 HA LYS 70 -17.643 -6.989 -1.076 3 HB2 LYS 70 HB2 LYS 70 -18.111 -5.111 -3.390 4 HB3 LYS 70 HB3 LYS 70 -17.854 -6.841 -3.526 5 HG2 LYS 70 HG2 LYS 70 -20.146 -5.779 -1.907 6 HG3 LYS 70 HG3 LYS 70 -20.260 -5.890 -3.660 7 HD2 LYS 70 HD2 LYS 70 -21.217 -7.881 -2.821 8 HD3 LYS 70 HD3 LYS 70 -19.627 -8.331 -3.424 9 HE2 LYS 70 HE2 LYS 70 -18.753 -8.530 -1.250 10 HE3 LYS 70 HE3 LYS 70 -20.125 -7.689 -0.529 11 HZ1 LYS 70 HZ1 LYS 70 -21.516 -9.587 -1.199 12 HZ2 LYS 70 HZ2 LYS 70 -20.135 -10.385 -1.781 13 HZ3 LYS 70 HZ3 LYS 70 -20.282 -10.036 -0.126 No H/Q in entry = 13 In of MODEL 29 1 H ASP 71 H ASP 71 -16.055 -3.913 -1.784 2 HA ASP 71 HA ASP 71 -13.850 -5.377 -3.009 3 HB2 ASP 71 HB2 ASP 71 -14.147 -2.384 -2.671 4 HB3 ASP 71 HB3 ASP 71 -12.929 -3.219 -3.609 No H/Q in entry = 4 In of MODEL 29 1 H GLU 72 H GLU 72 -12.110 -5.900 -1.986 2 HA GLU 72 HA GLU 72 -11.484 -5.016 0.739 3 HB2 GLU 72 HB2 GLU 72 -11.632 -7.379 0.337 4 HB3 GLU 72 HB3 GLU 72 -10.639 -7.285 -1.095 5 HG2 GLU 72 HG2 GLU 72 -9.466 -6.644 1.568 6 HG3 GLU 72 HG3 GLU 72 -9.747 -8.313 1.113 No H/Q in entry = 6 In of MODEL 29 1 H TYR 73 H TYR 73 -9.432 -4.004 1.158 2 HA TYR 73 HA TYR 73 -7.876 -3.244 -1.241 3 HB2 TYR 73 HB2 TYR 73 -8.430 -1.614 1.256 4 HB3 TYR 73 HB3 TYR 73 -7.240 -1.168 0.041 5 HD1 TYR 73 HD1 TYR 73 -10.849 -1.797 0.575 6 HD2 TYR 73 HD2 TYR 73 -7.889 -0.038 -1.927 7 HE1 TYR 73 HE1 TYR 73 -12.619 -0.694 -0.744 8 HE2 TYR 73 HE2 TYR 73 -9.651 1.066 -3.243 9 HH TYR 73 HH TYR 73 -12.878 1.249 -2.240 No H/Q in entry = 9 In of MODEL 29 1 H ALA 74 H ALA 74 -5.809 -3.788 -1.267 2 HA ALA 74 HA ALA 74 -4.463 -4.574 1.225 3 HB1 ALA 74 HB1 ALA 74 -5.365 -6.591 0.181 4 HB2 ALA 74 HB2 ALA 74 -3.603 -6.574 0.116 5 HB3 ALA 74 HB3 ALA 74 -4.543 -6.181 -1.329 No H/Q in entry = 5 In of MODEL 29 1 H CYS 75 H CYS 75 -2.082 -4.582 1.034 2 HA CYS 75 HA CYS 75 -1.143 -3.135 -1.365 3 HB2 CYS 75 HB2 CYS 75 -1.058 -1.568 0.429 4 HB3 CYS 75 HB3 CYS 75 -0.293 -2.739 1.494 No H/Q in entry = 4 In of MODEL 29 1 H ARG 76 H ARG 76 0.566 -3.978 -2.412 2 HA ARG 76 HA ARG 76 1.669 -6.506 -1.386 3 HB2 ARG 76 HB2 ARG 76 0.415 -6.323 -3.628 4 HB3 ARG 76 HB3 ARG 76 1.846 -5.467 -4.210 5 HG2 ARG 76 HG2 ARG 76 2.751 -7.447 -4.697 6 HG3 ARG 76 HG3 ARG 76 2.755 -7.849 -2.986 7 HD2 ARG 76 HD2 ARG 76 0.135 -8.349 -3.768 8 HD3 ARG 76 HD3 ARG 76 1.093 -8.917 -5.153 9 HE ARG 76 HE ARG 76 2.131 -9.839 -2.651 10 HH11 ARG 76 HH11 ARG 76 -0.258 -10.416 -5.136 11 HH12 ARG 76 HH12 ARG 76 -0.471 -12.098 -4.735 12 HH21 ARG 76 HH21 ARG 76 1.903 -12.067 -2.132 13 HH22 ARG 76 HH22 ARG 76 0.759 -13.038 -3.023 No H/Q in entry = 13 In of MODEL 29 1 H VAL 77 H VAL 77 3.865 -6.550 -0.879 2 HA VAL 77 HA VAL 77 5.556 -4.596 -2.285 3 HB VAL 77 HB VAL 77 5.103 -4.032 0.228 4 HG11 VAL 77 HG11 VAL 77 7.228 -6.145 0.511 5 HG12 VAL 77 HG12 VAL 77 6.766 -4.985 1.761 6 HG13 VAL 77 HG13 VAL 77 5.601 -6.182 1.192 7 HG21 VAL 77 HG21 VAL 77 6.719 -2.919 -1.299 8 HG22 VAL 77 HG22 VAL 77 7.218 -2.936 0.399 9 HG23 VAL 77 HG23 VAL 77 7.943 -4.063 -0.750 No H/Q in entry = 9 In of MODEL 29 1 H ASN 78 H ASN 78 7.279 -5.313 -3.166 2 HA ASN 78 HA ASN 78 8.295 -7.999 -2.457 3 HB2 ASN 78 HB2 ASN 78 7.013 -8.024 -4.615 4 HB3 ASN 78 HB3 ASN 78 8.176 -6.874 -5.267 5 HD21 ASN 78 HD21 ASN 78 8.951 -8.233 -6.869 6 HD22 ASN 78 HD22 ASN 78 9.893 -9.644 -6.517 No H/Q in entry = 6 In of MODEL 29 1 H HIS 79 H HIS 79 10.438 -8.293 -2.418 2 HA HIS 79 HA HIS 79 12.186 -6.117 -3.292 3 HB2 HIS 79 HB2 HIS 79 11.851 -5.951 -0.819 4 HB3 HIS 79 HB3 HIS 79 12.416 -7.602 -0.647 5 HD2 HIS 79 HD2 HIS 79 13.768 -4.073 -0.647 6 HE1 HIS 79 HE1 HIS 79 17.080 -6.685 -0.978 7 HE2 HIS 79 HE2 HIS 79 16.324 -4.371 -0.282 No H/Q in entry = 7 In of MODEL 29 1 H VAL 80 H VAL 80 14.353 -6.934 -3.818 2 HA VAL 80 HA VAL 80 14.469 -9.268 -5.262 3 HB VAL 80 HB VAL 80 16.814 -8.045 -3.796 4 HG11 VAL 80 HG11 VAL 80 16.741 -9.843 -6.222 5 HG12 VAL 80 HG12 VAL 80 18.180 -9.051 -5.576 6 HG13 VAL 80 HG13 VAL 80 17.341 -10.272 -4.619 7 HG21 VAL 80 HG21 VAL 80 15.723 -7.490 -6.550 8 HG22 VAL 80 HG22 VAL 80 15.674 -6.401 -5.165 9 HG23 VAL 80 HG23 VAL 80 17.220 -6.833 -5.891 No H/Q in entry = 9 In of MODEL 29 1 H THR 81 H THR 81 14.934 -8.923 -1.804 2 HA THR 81 HA THR 81 16.181 -11.482 -1.419 3 HB THR 81 HB THR 81 16.527 -9.883 0.338 4 HG1 THR 81 HG1 THR 81 16.449 -11.995 1.091 5 HG21 THR 81 HG21 THR 81 13.522 -9.880 0.698 6 HG22 THR 81 HG22 THR 81 14.667 -9.127 1.808 7 HG23 THR 81 HG23 THR 81 14.520 -8.532 0.153 No H/Q in entry = 7 In of MODEL 29 1 H LEU 82 H LEU 82 12.794 -10.403 -0.897 2 HA LEU 82 HA LEU 82 11.794 -12.960 -0.275 3 HB2 LEU 82 HB2 LEU 82 10.182 -10.919 -1.789 4 HB3 LEU 82 HB3 LEU 82 9.628 -12.119 -0.642 5 HG LEU 82 HG LEU 82 11.302 -9.755 0.151 6 HD11 LEU 82 HD11 LEU 82 8.321 -10.120 0.242 7 HD12 LEU 82 HD12 LEU 82 9.222 -8.798 0.992 8 HD13 LEU 82 HD13 LEU 82 9.220 -8.981 -0.761 9 HD21 LEU 82 HD21 LEU 82 11.401 -11.694 1.663 10 HD22 LEU 82 HD22 LEU 82 10.571 -10.325 2.400 11 HD23 LEU 82 HD23 LEU 82 9.642 -11.684 1.769 No H/Q in entry = 11 In of MODEL 29 1 H SER 83 H SER 83 10.737 -14.509 -1.540 2 HA SER 83 HA SER 83 11.183 -14.317 -4.454 3 HB2 SER 83 HB2 SER 83 12.163 -16.281 -3.192 4 HB3 SER 83 HB3 SER 83 10.515 -16.784 -2.823 5 HG SER 83 HG SER 83 11.187 -16.272 -5.500 No H/Q in entry = 5 In of MODEL 29 1 H GLN 84 H GLN 84 8.978 -13.807 -2.111 2 HA GLN 84 HA GLN 84 6.760 -13.930 -3.984 3 HB2 GLN 84 HB2 GLN 84 5.252 -14.936 -2.283 4 HB3 GLN 84 HB3 GLN 84 6.536 -16.032 -2.778 5 HG2 GLN 84 HG2 GLN 84 7.745 -15.601 -0.714 6 HG3 GLN 84 HG3 GLN 84 6.568 -14.372 -0.251 7 HE21 GLN 84 HE21 GLN 84 4.532 -15.006 0.444 8 HE22 GLN 84 HE22 GLN 84 4.210 -16.620 0.983 No H/Q in entry = 8 In of MODEL 29 1 HA PRO 85 HA PRO 85 6.339 -9.906 -1.905 2 HB2 PRO 85 HB2 PRO 85 4.061 -9.137 -3.229 3 HB3 PRO 85 HB3 PRO 85 5.710 -8.848 -3.808 4 HG2 PRO 85 HG2 PRO 85 3.734 -10.913 -4.653 5 HG3 PRO 85 HG3 PRO 85 4.978 -10.083 -5.614 6 HD2 PRO 85 HD2 PRO 85 5.234 -12.696 -4.710 7 HD3 PRO 85 HD3 PRO 85 6.631 -11.617 -5.037 No H/Q in entry = 7 In of MODEL 29 1 H LYS 86 H LYS 86 4.816 -8.957 -0.496 2 HA LYS 86 HA LYS 86 2.994 -10.985 0.611 3 HB2 LYS 86 HB2 LYS 86 4.040 -8.501 1.984 4 HB3 LYS 86 HB3 LYS 86 3.097 -9.789 2.714 5 HG2 LYS 86 HG2 LYS 86 5.943 -9.917 1.732 6 HG3 LYS 86 HG3 LYS 86 5.378 -10.023 3.399 7 HD2 LYS 86 HD2 LYS 86 4.025 -12.095 2.293 8 HD3 LYS 86 HD3 LYS 86 5.473 -12.071 1.279 9 HE2 LYS 86 HE2 LYS 86 5.681 -13.555 3.267 10 HE3 LYS 86 HE3 LYS 86 6.900 -12.287 3.210 11 HZ1 LYS 86 HZ1 LYS 86 5.557 -11.008 4.796 12 HZ2 LYS 86 HZ2 LYS 86 4.436 -12.273 4.881 13 HZ3 LYS 86 HZ3 LYS 86 6.024 -12.503 5.430 No H/Q in entry = 13 In of MODEL 29 1 H ILE 87 H ILE 87 0.923 -10.484 1.075 2 HA ILE 87 HA ILE 87 -0.019 -7.830 0.199 3 HB ILE 87 HB ILE 87 -1.244 -10.453 -0.247 4 HG12 ILE 87 HG12 ILE 87 -0.798 -9.199 -2.164 5 HG13 ILE 87 HG13 ILE 87 -2.526 -8.942 -1.946 6 HG21 ILE 87 HG21 ILE 87 -2.932 -8.228 0.864 7 HG22 ILE 87 HG22 ILE 87 -3.585 -9.570 -0.081 8 HG23 ILE 87 HG23 ILE 87 -2.788 -9.878 1.467 9 HD11 ILE 87 HD11 ILE 87 -2.087 -6.804 -0.895 10 HD12 ILE 87 HD12 ILE 87 -0.357 -7.041 -1.130 11 HD13 ILE 87 HD13 ILE 87 -1.423 -6.884 -2.522 No H/Q in entry = 11 In of MODEL 29 1 H VAL 88 H VAL 88 -0.849 -6.507 1.609 2 HA VAL 88 HA VAL 88 -1.606 -7.554 4.248 3 HB VAL 88 HB VAL 88 0.378 -6.137 4.415 4 HG11 VAL 88 HG11 VAL 88 0.124 -4.782 2.428 5 HG12 VAL 88 HG12 VAL 88 -1.273 -3.978 3.147 6 HG13 VAL 88 HG13 VAL 88 0.325 -3.762 3.858 7 HG21 VAL 88 HG21 VAL 88 -2.143 -4.889 5.474 8 HG22 VAL 88 HG22 VAL 88 -1.109 -6.065 6.284 9 HG23 VAL 88 HG23 VAL 88 -0.522 -4.425 5.998 No H/Q in entry = 9 In of MODEL 29 1 H LYS 89 H LYS 89 -3.738 -7.324 4.657 2 HA LYS 89 HA LYS 89 -5.213 -5.592 2.815 3 HB2 LYS 89 HB2 LYS 89 -6.321 -7.920 4.371 4 HB3 LYS 89 HB3 LYS 89 -7.092 -7.034 3.063 5 HG2 LYS 89 HG2 LYS 89 -5.782 -8.009 1.444 6 HG3 LYS 89 HG3 LYS 89 -4.521 -8.445 2.601 7 HD2 LYS 89 HD2 LYS 89 -7.282 -9.626 2.593 8 HD3 LYS 89 HD3 LYS 89 -5.897 -10.374 1.800 9 HE2 LYS 89 HE2 LYS 89 -4.755 -10.488 3.987 10 HE3 LYS 89 HE3 LYS 89 -6.188 -9.797 4.753 11 HZ1 LYS 89 HZ1 LYS 89 -6.165 -12.341 3.218 12 HZ2 LYS 89 HZ2 LYS 89 -6.085 -12.243 4.910 13 HZ3 LYS 89 HZ3 LYS 89 -7.466 -11.699 4.095 No H/Q in entry = 13 In of MODEL 29 1 H TRP 90 H TRP 90 -6.844 -4.290 3.586 2 HA TRP 90 HA TRP 90 -6.362 -3.368 6.281 3 HB2 TRP 90 HB2 TRP 90 -6.541 -1.729 4.438 4 HB3 TRP 90 HB3 TRP 90 -8.183 -2.274 4.134 5 HD1 TRP 90 HD1 TRP 90 -6.550 -1.114 7.502 6 HE1 TRP 90 HE1 TRP 90 -8.010 0.713 8.480 7 HE3 TRP 90 HE3 TRP 90 -10.015 -0.741 3.713 8 HZ2 TRP 90 HZ2 TRP 90 -10.374 2.113 7.807 9 HZ3 TRP 90 HZ3 TRP 90 -11.834 0.886 3.966 10 HH2 TRP 90 HH2 TRP 90 -12.020 2.292 5.948 No H/Q in entry = 10 In of MODEL 29 1 H ASP 91 H ASP 91 -7.513 -3.816 7.978 2 HA ASP 91 HA ASP 91 -9.524 -5.816 7.939 3 HB2 ASP 91 HB2 ASP 91 -8.583 -3.967 10.138 4 HB3 ASP 91 HB3 ASP 91 -9.781 -5.233 10.380 No H/Q in entry = 4 In of MODEL 29 1 H ARG 92 H ARG 92 -11.437 -5.374 6.993 2 HA ARG 92 HA ARG 92 -13.359 -3.917 8.381 3 HB2 ARG 92 HB2 ARG 92 -13.590 -1.853 7.333 4 HB3 ARG 92 HB3 ARG 92 -11.853 -2.075 7.166 5 HG2 ARG 92 HG2 ARG 92 -12.435 -1.388 5.049 6 HG3 ARG 92 HG3 ARG 92 -12.418 -3.142 4.858 7 HD2 ARG 92 HD2 ARG 92 -14.916 -3.096 5.254 8 HD3 ARG 92 HD3 ARG 92 -14.837 -1.331 5.157 9 HE ARG 92 HE ARG 92 -14.986 -3.114 3.003 10 HH11 ARG 92 HH11 ARG 92 -13.147 -0.282 3.959 11 HH12 ARG 92 HH12 ARG 92 -12.872 0.242 2.333 12 HH21 ARG 92 HH21 ARG 92 -14.649 -2.426 0.882 13 HH22 ARG 92 HH22 ARG 92 -13.715 -0.997 0.570 No H/Q in entry = 13 In of MODEL 29 1 H ASP 93 H ASP 93 -12.283 -5.861 5.920 2 HA ASP 93 HA ASP 93 -14.901 -6.536 4.907 3 HB2 ASP 93 HB2 ASP 93 -13.740 -4.428 3.691 4 HB3 ASP 93 HB3 ASP 93 -13.010 -5.741 2.764 No H/Q in entry = 4 In of MODEL 29 1 HA MET 94 HA MET 94 -11.079 -9.187 3.637 2 HB2 MET 94 HB2 MET 94 -9.659 -10.113 5.761 3 HB3 MET 94 HB3 MET 94 -9.127 -8.816 4.699 4 HG2 MET 94 HG2 MET 94 -8.840 -8.359 7.137 5 HG3 MET 94 HG3 MET 94 -9.770 -7.125 6.281 6 HE1 MET 94 HE1 MET 94 -9.681 -9.953 8.904 7 HE2 MET 94 HE2 MET 94 -11.382 -10.224 9.287 8 HE3 MET 94 HE3 MET 94 -10.743 -10.709 7.716 No H/Q in entry = 8 In of MODEL 30 1 HA MET 1 HA MET 1 4.931 -7.664 7.207 2 HB2 MET 1 HB2 MET 1 4.597 -8.259 9.567 3 HB3 MET 1 HB3 MET 1 4.469 -6.557 9.988 4 HG2 MET 1 HG2 MET 1 2.484 -6.453 8.426 5 HG3 MET 1 HG3 MET 1 2.552 -8.212 8.374 6 HE1 MET 1 HE1 MET 1 2.264 -9.754 10.544 7 HE2 MET 1 HE2 MET 1 3.501 -8.828 11.394 8 HE3 MET 1 HE3 MET 1 1.937 -9.115 12.157 No H/Q in entry = 8 In of MODEL 30 1 H ILE 2 H ILE 2 3.544 -6.427 6.021 2 HA ILE 2 HA ILE 2 3.850 -3.534 6.131 3 HB ILE 2 HB ILE 2 1.768 -4.867 4.420 4 HG12 ILE 2 HG12 ILE 2 4.615 -4.734 3.436 5 HG13 ILE 2 HG13 ILE 2 3.984 -6.168 4.244 6 HG21 ILE 2 HG21 ILE 2 2.050 -2.405 4.470 7 HG22 ILE 2 HG22 ILE 2 3.666 -2.616 3.784 8 HG23 ILE 2 HG23 ILE 2 2.249 -3.112 2.866 9 HD11 ILE 2 HD11 ILE 2 2.209 -6.317 2.538 10 HD12 ILE 2 HD12 ILE 2 2.915 -4.926 1.717 11 HD13 ILE 2 HD13 ILE 2 3.829 -6.430 1.847 No H/Q in entry = 11 In of MODEL 30 1 H GLN 3 H GLN 3 2.288 -2.161 6.959 2 HA GLN 3 HA GLN 3 -0.179 -3.447 7.910 3 HB2 GLN 3 HB2 GLN 3 1.509 -1.371 9.320 4 HB3 GLN 3 HB3 GLN 3 -0.113 -1.855 9.846 5 HG2 GLN 3 HG2 GLN 3 0.662 -4.168 10.156 6 HG3 GLN 3 HG3 GLN 3 2.294 -3.674 9.644 7 HE21 GLN 3 HE21 GLN 3 1.372 -4.845 12.150 8 HE22 GLN 3 HE22 GLN 3 1.830 -3.740 13.401 No H/Q in entry = 8 In of MODEL 30 1 H VAL 4 H VAL 4 -1.745 -2.739 6.643 2 HA VAL 4 HA VAL 4 -1.639 -0.044 5.557 3 HB VAL 4 HB VAL 4 -3.820 -0.791 4.388 4 HG11 VAL 4 HG11 VAL 4 -1.240 -2.252 3.817 5 HG12 VAL 4 HG12 VAL 4 -2.591 -2.087 2.698 6 HG13 VAL 4 HG13 VAL 4 -1.698 -0.658 3.215 7 HG21 VAL 4 HG21 VAL 4 -4.323 -2.647 5.894 8 HG22 VAL 4 HG22 VAL 4 -4.168 -3.198 4.226 9 HG23 VAL 4 HG23 VAL 4 -2.858 -3.475 5.372 No H/Q in entry = 9 In of MODEL 30 1 H TYR 5 H TYR 5 -3.264 1.444 5.758 2 HA TYR 5 HA TYR 5 -5.380 1.159 7.697 3 HB2 TYR 5 HB2 TYR 5 -2.967 2.901 8.214 4 HB3 TYR 5 HB3 TYR 5 -4.537 3.278 8.914 5 HD1 TYR 5 HD1 TYR 5 -1.511 2.019 9.763 6 HD2 TYR 5 HD2 TYR 5 -5.603 0.839 9.926 7 HE1 TYR 5 HE1 TYR 5 -0.996 0.509 11.642 8 HE2 TYR 5 HE2 TYR 5 -5.091 -0.683 11.808 9 HH TYR 5 HH TYR 5 -3.172 -1.857 12.742 No H/Q in entry = 9 In of MODEL 30 1 H SER 6 H SER 6 -6.383 3.511 7.948 2 HA SER 6 HA SER 6 -5.997 4.999 5.434 3 HB2 SER 6 HB2 SER 6 -8.637 4.508 6.851 4 HB3 SER 6 HB3 SER 6 -8.402 5.449 5.373 5 HG SER 6 HG SER 6 -7.387 2.883 5.299 No H/Q in entry = 5 In of MODEL 30 1 H ARG 7 H ARG 7 -6.597 7.263 5.557 2 HA ARG 7 HA ARG 7 -5.797 8.453 8.079 3 HB2 ARG 7 HB2 ARG 7 -5.363 9.168 5.490 4 HB3 ARG 7 HB3 ARG 7 -6.732 10.205 5.873 5 HG2 ARG 7 HG2 ARG 7 -4.155 10.102 7.435 6 HG3 ARG 7 HG3 ARG 7 -4.561 11.311 6.217 7 HD2 ARG 7 HD2 ARG 7 -6.479 12.016 7.555 8 HD3 ARG 7 HD3 ARG 7 -6.091 10.792 8.764 9 HE ARG 7 HE ARG 7 -4.240 13.001 8.125 10 HH11 ARG 7 HH11 ARG 7 -5.979 11.037 10.440 11 HH12 ARG 7 HH12 ARG 7 -5.338 11.867 11.825 12 HH21 ARG 7 HH21 ARG 7 -3.407 14.107 9.933 13 HH22 ARG 7 HH22 ARG 7 -3.884 13.631 11.535 No H/Q in entry = 13 In of MODEL 30 1 H HIS 8 H HIS 8 -8.707 7.592 6.597 2 HA HIS 8 HA HIS 8 -10.248 9.372 8.346 3 HB2 HIS 8 HB2 HIS 8 -10.931 8.725 5.461 4 HB3 HIS 8 HB3 HIS 8 -11.897 9.705 6.556 5 HD2 HIS 8 HD2 HIS 8 -10.258 12.059 7.487 6 HE1 HIS 8 HE1 HIS 8 -8.523 12.291 3.636 7 HE2 HIS 8 HE2 HIS 8 -8.783 13.456 5.872 No H/Q in entry = 7 In of MODEL 30 1 HA PRO 9 HA PRO 9 -12.605 5.684 9.304 2 HB2 PRO 9 HB2 PRO 9 -15.106 7.212 9.073 3 HB3 PRO 9 HB3 PRO 9 -14.403 6.422 10.494 4 HG2 PRO 9 HG2 PRO 9 -14.473 9.123 10.237 5 HG3 PRO 9 HG3 PRO 9 -13.123 8.289 11.040 6 HD2 PRO 9 HD2 PRO 9 -13.285 9.409 8.261 7 HD3 PRO 9 HD3 PRO 9 -11.939 9.499 9.425 No H/Q in entry = 7 In of MODEL 30 1 H ALA 10 H ALA 10 -13.525 4.047 8.107 2 HA ALA 10 HA ALA 10 -13.847 4.294 5.340 3 HB1 ALA 10 HB1 ALA 10 -14.707 2.006 5.419 4 HB2 ALA 10 HB2 ALA 10 -13.293 2.184 6.458 5 HB3 ALA 10 HB3 ALA 10 -14.906 2.137 7.166 No H/Q in entry = 5 In of MODEL 30 1 H GLU 11 H GLU 11 -15.419 5.785 4.609 2 HA GLU 11 HA GLU 11 -18.183 5.169 5.470 3 HB2 GLU 11 HB2 GLU 11 -16.809 7.701 5.006 4 HB3 GLU 11 HB3 GLU 11 -18.280 7.582 4.057 5 HG2 GLU 11 HG2 GLU 11 -18.639 8.703 6.182 6 HG3 GLU 11 HG3 GLU 11 -19.589 7.231 6.061 No H/Q in entry = 6 In of MODEL 30 1 H ASN 12 H ASN 12 -18.725 3.572 4.066 2 HA ASN 12 HA ASN 12 -18.292 3.080 1.480 3 HB2 ASN 12 HB2 ASN 12 -20.756 2.857 3.218 4 HB3 ASN 12 HB3 ASN 12 -20.892 2.361 1.541 5 HD21 ASN 12 HD21 ASN 12 -21.342 0.268 2.239 6 HD22 ASN 12 HD22 ASN 12 -20.104 -0.790 2.832 No H/Q in entry = 6 In of MODEL 30 1 H GLY 13 H GLY 13 -17.968 4.623 -0.026 2 HA2 GLY 13 HA2 GLY 13 -20.276 6.378 -0.675 3 HA3 GLY 13 HA3 GLY 13 -19.265 5.634 -1.905 No H/Q in entry = 3 In of MODEL 30 1 H LYS 14 H LYS 14 -17.328 6.662 0.664 2 HA LYS 14 HA LYS 14 -16.965 9.348 -0.527 3 HB2 LYS 14 HB2 LYS 14 -15.488 8.186 1.832 4 HB3 LYS 14 HB3 LYS 14 -15.577 9.870 1.359 5 HG2 LYS 14 HG2 LYS 14 -17.971 8.301 2.286 6 HG3 LYS 14 HG3 LYS 14 -16.878 9.141 3.367 7 HD2 LYS 14 HD2 LYS 14 -18.764 10.519 3.009 8 HD3 LYS 14 HD3 LYS 14 -17.375 11.271 2.228 9 HE2 LYS 14 HE2 LYS 14 -19.121 11.531 0.705 10 HE3 LYS 14 HE3 LYS 14 -18.223 10.150 0.082 11 HZ1 LYS 14 HZ1 LYS 14 -19.871 8.709 1.234 12 HZ2 LYS 14 HZ2 LYS 14 -20.761 10.095 1.622 13 HZ3 LYS 14 HZ3 LYS 14 -20.545 9.657 0.000 No H/Q in entry = 13 In of MODEL 30 1 H SER 15 H SER 15 -14.950 10.078 -1.303 2 HA SER 15 HA SER 15 -12.961 7.993 -1.753 3 HB2 SER 15 HB2 SER 15 -11.876 10.035 -3.069 4 HB3 SER 15 HB3 SER 15 -13.113 9.002 -3.794 5 HG SER 15 HG SER 15 -13.879 11.288 -2.323 No H/Q in entry = 5 In of MODEL 30 1 H ASN 16 H ASN 16 -10.957 8.081 -0.983 2 HA ASN 16 HA ASN 16 -10.023 10.153 0.800 3 HB2 ASN 16 HB2 ASN 16 -10.406 7.373 1.948 4 HB3 ASN 16 HB3 ASN 16 -9.902 8.822 2.798 5 HD21 ASN 16 HD21 ASN 16 -11.427 10.061 3.754 6 HD22 ASN 16 HD22 ASN 16 -13.129 9.762 3.654 No H/Q in entry = 6 In of MODEL 30 1 H PHE 17 H PHE 17 -8.037 8.338 2.027 2 HA PHE 17 HA PHE 17 -6.671 7.441 -0.416 3 HB2 PHE 17 HB2 PHE 17 -5.605 9.152 1.815 4 HB3 PHE 17 HB3 PHE 17 -4.530 8.215 0.780 5 HD1 PHE 17 HD1 PHE 17 -5.158 11.377 1.207 6 HD2 PHE 17 HD2 PHE 17 -5.892 8.459 -1.795 7 HE1 PHE 17 HE1 PHE 17 -5.221 13.150 -0.500 8 HE2 PHE 17 HE2 PHE 17 -5.955 10.220 -3.512 9 HZ PHE 17 HZ PHE 17 -5.617 12.575 -2.861 No H/Q in entry = 9 In of MODEL 30 1 H LEU 18 H LEU 18 -5.655 5.516 -0.341 2 HA LEU 18 HA LEU 18 -5.855 3.986 2.145 3 HB2 LEU 18 HB2 LEU 18 -6.588 2.767 0.233 4 HB3 LEU 18 HB3 LEU 18 -5.160 3.206 -0.684 5 HG LEU 18 HG LEU 18 -3.775 1.697 0.653 6 HD11 LEU 18 HD11 LEU 18 -6.295 1.120 2.216 7 HD12 LEU 18 HD12 LEU 18 -4.801 0.199 2.323 8 HD13 LEU 18 HD13 LEU 18 -4.826 1.886 2.825 9 HD21 LEU 18 HD21 LEU 18 -6.331 0.440 -0.341 10 HD22 LEU 18 HD22 LEU 18 -4.847 0.713 -1.255 11 HD23 LEU 18 HD23 LEU 18 -4.868 -0.453 0.067 No H/Q in entry = 11 In of MODEL 30 1 H ASN 19 H ASN 19 -4.239 3.703 3.470 2 HA ASN 19 HA ASN 19 -1.577 4.647 2.630 3 HB2 ASN 19 HB2 ASN 19 -1.842 5.967 4.472 4 HB3 ASN 19 HB3 ASN 19 -3.090 4.930 5.161 5 HD21 ASN 19 HD21 ASN 19 0.281 5.667 5.031 6 HD22 ASN 19 HD22 ASN 19 0.762 4.664 6.352 No H/Q in entry = 6 In of MODEL 30 1 H CYS 20 H CYS 20 -0.130 3.103 2.146 2 HA CYS 20 HA CYS 20 -0.211 0.616 3.722 3 HB2 CYS 20 HB2 CYS 20 -0.439 0.041 1.430 4 HB3 CYS 20 HB3 CYS 20 0.732 1.257 0.905 No H/Q in entry = 4 In of MODEL 30 1 H TYR 21 H TYR 21 1.241 0.745 5.327 2 HA TYR 21 HA TYR 21 3.555 2.510 4.962 3 HB2 TYR 21 HB2 TYR 21 2.498 3.218 6.909 4 HB3 TYR 21 HB3 TYR 21 2.022 1.598 7.377 5 HD1 TYR 21 HD1 TYR 21 3.278 0.413 8.987 6 HD2 TYR 21 HD2 TYR 21 4.888 3.930 7.222 7 HE1 TYR 21 HE1 TYR 21 5.063 0.439 10.681 8 HE2 TYR 21 HE2 TYR 21 6.676 3.972 8.908 9 HH TYR 21 HH TYR 21 7.123 3.152 11.119 No H/Q in entry = 9 In of MODEL 30 1 H VAL 22 H VAL 22 5.234 1.529 4.089 2 HA VAL 22 HA VAL 22 5.879 -1.228 4.848 3 HB VAL 22 HB VAL 22 7.013 0.474 2.597 4 HG11 VAL 22 HG11 VAL 22 8.449 -1.406 3.355 5 HG12 VAL 22 HG12 VAL 22 7.129 -2.520 2.983 6 HG13 VAL 22 HG13 VAL 22 7.885 -1.584 1.690 7 HG21 VAL 22 HG21 VAL 22 4.820 -1.599 2.518 8 HG22 VAL 22 HG22 VAL 22 4.644 0.130 2.224 9 HG23 VAL 22 HG23 VAL 22 5.573 -0.865 1.098 No H/Q in entry = 9 In of MODEL 30 1 H SER 23 H SER 23 7.559 -1.601 6.100 2 HA SER 23 HA SER 23 9.024 0.495 7.325 3 HB2 SER 23 HB2 SER 23 8.258 -1.380 8.584 4 HB3 SER 23 HB3 SER 23 9.249 -2.497 7.622 5 HG SER 23 HG SER 23 10.119 -0.472 9.416 No H/Q in entry = 5 In of MODEL 30 1 H GLY 24 H GLY 24 11.731 -1.171 7.490 2 HA2 GLY 24 HA2 GLY 24 13.578 0.150 7.185 3 HA3 GLY 24 HA3 GLY 24 12.664 1.216 6.139 No H/Q in entry = 3 In of MODEL 30 1 H PHE 25 H PHE 25 12.425 -2.035 4.941 2 HA PHE 25 HA PHE 25 14.094 -2.302 3.019 3 HB2 PHE 25 HB2 PHE 25 11.271 -1.496 2.303 4 HB3 PHE 25 HB3 PHE 25 12.343 -2.540 1.381 5 HD1 PHE 25 HD1 PHE 25 10.185 -2.339 4.359 6 HD2 PHE 25 HD2 PHE 25 12.694 -4.851 1.998 7 HE1 PHE 25 HE1 PHE 25 9.272 -4.329 5.514 8 HE2 PHE 25 HE2 PHE 25 11.788 -6.839 3.147 9 HZ PHE 25 HZ PHE 25 10.056 -6.567 4.873 No H/Q in entry = 9 In of MODEL 30 1 H HIS 26 H HIS 26 15.335 -1.121 1.646 2 HA HIS 26 HA HIS 26 15.140 1.724 1.649 3 HB2 HIS 26 HB2 HIS 26 16.835 -0.071 -0.102 4 HB3 HIS 26 HB3 HIS 26 17.034 1.674 0.071 5 HD2 HIS 26 HD2 HIS 26 18.018 2.491 2.645 6 HE1 HIS 26 HE1 HIS 26 19.371 -1.400 3.600 7 HE2 HIS 26 HE2 HIS 26 19.370 1.031 4.311 No H/Q in entry = 7 In of MODEL 30 1 HA PRO 27 HA PRO 27 11.806 2.299 -1.121 2 HB2 PRO 27 HB2 PRO 27 13.485 4.689 -1.820 3 HB3 PRO 27 HB3 PRO 27 11.742 4.595 -1.513 4 HG2 PRO 27 HG2 PRO 27 13.327 5.459 0.415 5 HG3 PRO 27 HG3 PRO 27 12.029 4.296 0.794 6 HD2 PRO 27 HD2 PRO 27 14.979 3.840 0.544 7 HD3 PRO 27 HD3 PRO 27 13.804 3.098 1.656 No H/Q in entry = 7 In of MODEL 30 1 H SER 28 H SER 28 15.096 2.445 -2.379 2 HA SER 28 HA SER 28 14.310 2.667 -5.095 3 HB2 SER 28 HB2 SER 28 16.474 3.519 -4.374 4 HB3 SER 28 HB3 SER 28 16.980 1.900 -3.893 5 HG SER 28 HG SER 28 16.233 2.613 -6.540 No H/Q in entry = 5 In of MODEL 30 1 H ASP 29 H ASP 29 15.274 -0.184 -3.125 2 HA ASP 29 HA ASP 29 15.132 -1.780 -5.589 3 HB2 ASP 29 HB2 ASP 29 16.247 -2.639 -2.912 4 HB3 ASP 29 HB3 ASP 29 16.351 -3.523 -4.425 No H/Q in entry = 4 In of MODEL 30 1 H ILE 30 H ILE 30 12.736 -0.931 -3.848 2 HA ILE 30 HA ILE 30 11.803 -3.697 -3.422 3 HB ILE 30 HB ILE 30 10.751 -3.233 -1.469 4 HG12 ILE 30 HG12 ILE 30 10.430 -0.307 -2.229 5 HG13 ILE 30 HG13 ILE 30 9.212 -1.564 -2.447 6 HG21 ILE 30 HG21 ILE 30 12.878 -1.109 -1.526 7 HG22 ILE 30 HG22 ILE 30 12.010 -1.600 -0.070 8 HG23 ILE 30 HG23 ILE 30 13.011 -2.765 -0.933 9 HD11 ILE 30 HD11 ILE 30 9.202 -1.903 0.011 10 HD12 ILE 30 HD12 ILE 30 10.313 -0.540 0.157 11 HD13 ILE 30 HD13 ILE 30 8.696 -0.291 -0.490 No H/Q in entry = 11 In of MODEL 30 1 H GLU 31 H GLU 31 9.473 -3.975 -3.606 2 HA GLU 31 HA GLU 31 8.279 -2.140 -5.569 3 HB2 GLU 31 HB2 GLU 31 8.322 -5.160 -5.611 4 HB3 GLU 31 HB3 GLU 31 7.263 -4.187 -6.622 5 HG2 GLU 31 HG2 GLU 31 9.071 -3.292 -7.844 6 HG3 GLU 31 HG3 GLU 31 10.252 -3.838 -6.658 No H/Q in entry = 6 In of MODEL 30 1 H VAL 32 H VAL 32 6.575 -1.240 -4.616 2 HA VAL 32 HA VAL 32 4.746 -2.993 -3.127 3 HB VAL 32 HB VAL 32 5.288 -1.858 -1.244 4 HG11 VAL 32 HG11 VAL 32 7.283 -0.927 -2.306 5 HG12 VAL 32 HG12 VAL 32 6.330 0.424 -2.914 6 HG13 VAL 32 HG13 VAL 32 6.552 0.210 -1.176 7 HG21 VAL 32 HG21 VAL 32 3.073 -0.928 -1.713 8 HG22 VAL 32 HG22 VAL 32 4.087 0.227 -0.847 9 HG23 VAL 32 HG23 VAL 32 3.816 0.417 -2.580 No H/Q in entry = 9 In of MODEL 30 1 H ASP 33 H ASP 33 2.642 -2.846 -3.689 2 HA ASP 33 HA ASP 33 1.764 -0.565 -5.329 3 HB2 ASP 33 HB2 ASP 33 1.221 -3.506 -5.972 4 HB3 ASP 33 HB3 ASP 33 0.403 -2.149 -6.748 No H/Q in entry = 4 In of MODEL 30 1 H LEU 34 H LEU 34 -0.613 -0.418 -5.370 2 HA LEU 34 HA LEU 34 -1.797 -1.448 -2.874 3 HB2 LEU 34 HB2 LEU 34 -2.215 1.107 -4.372 4 HB3 LEU 34 HB3 LEU 34 -3.560 0.445 -3.465 5 HG LEU 34 HG LEU 34 -2.115 0.475 -1.412 6 HD11 LEU 34 HD11 LEU 34 -0.244 2.048 -3.167 7 HD12 LEU 34 HD12 LEU 34 -0.134 1.913 -1.411 8 HD13 LEU 34 HD13 LEU 34 0.078 0.483 -2.416 9 HD21 LEU 34 HD21 LEU 34 -3.745 2.237 -1.884 10 HD22 LEU 34 HD22 LEU 34 -2.345 2.839 -0.998 11 HD23 LEU 34 HD23 LEU 34 -2.494 3.153 -2.730 No H/Q in entry = 11 In of MODEL 30 1 H LEU 35 H LEU 35 -3.485 -2.833 -3.012 2 HA LEU 35 HA LEU 35 -4.420 -3.494 -5.732 3 HB2 LEU 35 HB2 LEU 35 -3.920 -5.445 -3.478 4 HB3 LEU 35 HB3 LEU 35 -4.433 -5.826 -5.103 5 HG LEU 35 HG LEU 35 -1.720 -5.016 -4.121 6 HD11 LEU 35 HD11 LEU 35 -2.859 -7.267 -5.785 7 HD12 LEU 35 HD12 LEU 35 -1.138 -7.015 -5.525 8 HD13 LEU 35 HD13 LEU 35 -2.192 -7.370 -4.155 9 HD21 LEU 35 HD21 LEU 35 -2.224 -3.573 -6.081 10 HD22 LEU 35 HD22 LEU 35 -0.940 -4.741 -6.387 11 HD23 LEU 35 HD23 LEU 35 -2.555 -5.020 -7.025 No H/Q in entry = 11 In of MODEL 30 1 H LYS 36 H LYS 36 -6.387 -4.768 -5.843 2 HA LYS 36 HA LYS 36 -8.208 -4.605 -3.534 3 HB2 LYS 36 HB2 LYS 36 -9.230 -4.977 -6.319 4 HB3 LYS 36 HB3 LYS 36 -10.026 -4.210 -4.929 5 HG2 LYS 36 HG2 LYS 36 -8.570 -2.266 -5.199 6 HG3 LYS 36 HG3 LYS 36 -7.717 -3.070 -6.507 7 HD2 LYS 36 HD2 LYS 36 -9.432 -1.309 -7.231 8 HD3 LYS 36 HD3 LYS 36 -9.488 -2.862 -8.046 9 HE2 LYS 36 HE2 LYS 36 -11.452 -3.421 -6.421 10 HE3 LYS 36 HE3 LYS 36 -11.498 -1.685 -6.086 11 HZ1 LYS 36 HZ1 LYS 36 -11.707 -1.319 -8.491 12 HZ2 LYS 36 HZ2 LYS 36 -11.835 -2.994 -8.718 13 HZ3 LYS 36 HZ3 LYS 36 -13.006 -2.170 -7.821 No H/Q in entry = 13 In of MODEL 30 1 H ASN 37 H ASN 37 -8.172 -6.682 -2.692 2 HA ASN 37 HA ASN 37 -8.024 -8.979 -2.642 3 HB2 ASN 37 HB2 ASN 37 -9.835 -8.878 -5.021 4 HB3 ASN 37 HB3 ASN 37 -9.928 -10.000 -3.698 5 HD21 ASN 37 HD21 ASN 37 -10.416 -6.719 -4.761 6 HD22 ASN 37 HD22 ASN 37 -11.622 -6.285 -3.614 No H/Q in entry = 6 In of MODEL 30 1 H GLY 38 H GLY 38 -5.821 -8.036 -3.947 2 HA2 GLY 38 HA2 GLY 38 -5.197 -10.168 -5.752 3 HA3 GLY 38 HA3 GLY 38 -4.111 -8.887 -5.272 No H/Q in entry = 3 In of MODEL 30 1 H GLU 39 H GLU 39 -6.051 -6.789 -6.288 2 HA GLU 39 HA GLU 39 -5.482 -7.170 -9.144 3 HB2 GLU 39 HB2 GLU 39 -7.891 -7.589 -8.694 4 HB3 GLU 39 HB3 GLU 39 -8.022 -5.997 -7.998 5 HG2 GLU 39 HG2 GLU 39 -6.973 -5.820 -10.654 6 HG3 GLU 39 HG3 GLU 39 -8.521 -6.664 -10.639 No H/Q in entry = 6 In of MODEL 30 1 H ARG 40 H ARG 40 -4.085 -5.663 -9.751 2 HA ARG 40 HA ARG 40 -3.215 -3.492 -8.256 3 HB2 ARG 40 HB2 ARG 40 -2.374 -4.704 -10.528 4 HB3 ARG 40 HB3 ARG 40 -3.085 -3.260 -11.231 5 HG2 ARG 40 HG2 ARG 40 -1.628 -1.900 -9.730 6 HG3 ARG 40 HG3 ARG 40 -0.849 -3.402 -9.227 7 HD2 ARG 40 HD2 ARG 40 0.495 -2.376 -10.952 8 HD3 ARG 40 HD3 ARG 40 -0.244 -3.837 -11.612 9 HE ARG 40 HE ARG 40 -2.004 -1.932 -12.346 10 HH11 ARG 40 HH11 ARG 40 1.478 -2.095 -12.604 11 HH12 ARG 40 HH12 ARG 40 1.540 -1.251 -14.119 12 HH21 ARG 40 HH21 ARG 40 -1.936 -0.767 -14.337 13 HH22 ARG 40 HH22 ARG 40 -0.399 -0.501 -15.106 No H/Q in entry = 13 In of MODEL 30 1 H ILE 41 H ILE 41 -4.298 -1.765 -7.626 2 HA ILE 41 HA ILE 41 -6.751 -0.893 -8.606 3 HB ILE 41 HB ILE 41 -4.696 0.609 -6.980 4 HG12 ILE 41 HG12 ILE 41 -7.152 -0.940 -6.154 5 HG13 ILE 41 HG13 ILE 41 -5.498 -1.526 -6.012 6 HG21 ILE 41 HG21 ILE 41 -7.628 1.221 -7.396 7 HG22 ILE 41 HG22 ILE 41 -6.560 2.042 -6.260 8 HG23 ILE 41 HG23 ILE 41 -6.275 2.175 -7.991 9 HD11 ILE 41 HD11 ILE 41 -6.360 0.992 -4.659 10 HD12 ILE 41 HD12 ILE 41 -6.660 -0.597 -3.950 11 HD13 ILE 41 HD13 ILE 41 -5.003 -0.085 -4.292 No H/Q in entry = 11 In of MODEL 30 1 H GLU 42 H GLU 42 -3.935 1.268 -8.657 2 HA GLU 42 HA GLU 42 -2.609 1.303 -10.777 3 HB2 GLU 42 HB2 GLU 42 -5.302 2.014 -11.967 4 HB3 GLU 42 HB3 GLU 42 -3.766 2.256 -12.779 5 HG2 GLU 42 HG2 GLU 42 -3.448 -0.296 -12.362 6 HG3 GLU 42 HG3 GLU 42 -5.201 -0.282 -12.157 No H/Q in entry = 6 In of MODEL 30 1 H LYS 43 H LYS 43 -5.016 3.418 -9.262 2 HA LYS 43 HA LYS 43 -3.765 5.803 -10.342 3 HB2 LYS 43 HB2 LYS 43 -5.752 5.761 -8.075 4 HB3 LYS 43 HB3 LYS 43 -5.466 7.032 -9.249 5 HG2 LYS 43 HG2 LYS 43 -6.922 4.424 -9.706 6 HG3 LYS 43 HG3 LYS 43 -7.599 6.053 -9.688 7 HD2 LYS 43 HD2 LYS 43 -5.521 5.145 -11.678 8 HD3 LYS 43 HD3 LYS 43 -7.256 5.040 -11.965 9 HE2 LYS 43 HE2 LYS 43 -5.768 7.589 -11.328 10 HE3 LYS 43 HE3 LYS 43 -6.237 7.074 -12.949 11 HZ1 LYS 43 HZ1 LYS 43 -8.559 7.124 -12.246 12 HZ2 LYS 43 HZ2 LYS 43 -8.097 7.644 -10.705 13 HZ3 LYS 43 HZ3 LYS 43 -7.827 8.641 -12.045 No H/Q in entry = 13 In of MODEL 30 1 H VAL 44 H VAL 44 -1.709 4.661 -9.187 2 HA VAL 44 HA VAL 44 -1.527 5.839 -6.508 3 HB VAL 44 HB VAL 44 -1.526 3.107 -6.933 4 HG11 VAL 44 HG11 VAL 44 0.651 3.139 -8.006 5 HG12 VAL 44 HG12 VAL 44 1.330 3.964 -6.603 6 HG13 VAL 44 HG13 VAL 44 0.725 2.311 -6.448 7 HG21 VAL 44 HG21 VAL 44 -1.929 4.227 -4.820 8 HG22 VAL 44 HG22 VAL 44 -0.756 2.922 -4.636 9 HG23 VAL 44 HG23 VAL 44 -0.210 4.600 -4.682 No H/Q in entry = 9 In of MODEL 30 1 H GLU 45 H GLU 45 0.253 7.034 -6.164 2 HA GLU 45 HA GLU 45 2.453 6.852 -8.106 3 HB2 GLU 45 HB2 GLU 45 0.703 9.228 -7.644 4 HB3 GLU 45 HB3 GLU 45 2.401 9.488 -8.011 5 HG2 GLU 45 HG2 GLU 45 0.545 7.868 -9.742 6 HG3 GLU 45 HG3 GLU 45 0.871 9.585 -9.976 No H/Q in entry = 6 In of MODEL 30 1 H HIS 46 H HIS 46 4.083 6.284 -6.736 2 HA HIS 46 HA HIS 46 5.076 8.582 -5.264 3 HB2 HIS 46 HB2 HIS 46 4.067 7.222 -3.505 4 HB3 HIS 46 HB3 HIS 46 4.933 5.801 -4.072 5 HD2 HIS 46 HD2 HIS 46 6.409 9.361 -3.184 6 HE1 HIS 46 HE1 HIS 46 8.376 6.359 -0.948 7 HE2 HIS 46 HE2 HIS 46 8.401 8.799 -1.628 No H/Q in entry = 7 In of MODEL 30 1 H SER 47 H SER 47 7.056 8.975 -5.852 2 HA SER 47 HA SER 47 8.589 6.921 -7.249 3 HB2 SER 47 HB2 SER 47 10.067 9.008 -7.729 4 HB3 SER 47 HB3 SER 47 8.504 8.880 -8.537 5 HG SER 47 HG SER 47 9.187 10.938 -7.327 No H/Q in entry = 5 In of MODEL 30 1 H ASP 48 H ASP 48 10.632 6.287 -6.588 2 HA ASP 48 HA ASP 48 11.067 6.473 -3.774 3 HB2 ASP 48 HB2 ASP 48 12.229 4.581 -4.051 4 HB3 ASP 48 HB3 ASP 48 11.784 4.649 -5.748 No H/Q in entry = 4 In of MODEL 30 1 H LEU 49 H LEU 49 13.152 7.073 -2.840 2 HA LEU 49 HA LEU 49 14.273 9.434 -4.179 3 HB2 LEU 49 HB2 LEU 49 14.186 10.559 -1.884 4 HB3 LEU 49 HB3 LEU 49 12.682 10.431 -2.780 5 HG LEU 49 HG LEU 49 12.563 10.040 -0.269 6 HD11 LEU 49 HD11 LEU 49 10.762 9.365 -1.817 7 HD12 LEU 49 HD12 LEU 49 11.496 7.762 -1.917 8 HD13 LEU 49 HD13 LEU 49 10.882 8.358 -0.378 9 HD21 LEU 49 HD21 LEU 49 13.849 7.415 -0.977 10 HD22 LEU 49 HD22 LEU 49 14.534 8.680 0.046 11 HD23 LEU 49 HD23 LEU 49 13.094 7.808 0.567 No H/Q in entry = 11 In of MODEL 30 1 H SER 50 H SER 50 15.302 6.637 -3.538 2 HA SER 50 HA SER 50 17.339 7.390 -1.549 3 HB2 SER 50 HB2 SER 50 17.549 4.898 -1.137 4 HB3 SER 50 HB3 SER 50 16.043 5.650 -0.614 5 HG SER 50 HG SER 50 15.540 4.922 -3.040 No H/Q in entry = 5 In of MODEL 30 1 H PHE 51 H PHE 51 16.856 6.223 -4.768 2 HA PHE 51 HA PHE 51 18.187 5.504 -6.434 3 HB2 PHE 51 HB2 PHE 51 19.016 7.843 -5.964 4 HB3 PHE 51 HB3 PHE 51 20.363 7.108 -5.099 5 HD1 PHE 51 HD1 PHE 51 22.292 6.567 -6.257 6 HD2 PHE 51 HD2 PHE 51 18.649 7.055 -8.398 7 HE1 PHE 51 HE1 PHE 51 23.516 6.346 -8.379 8 HE2 PHE 51 HE2 PHE 51 19.865 6.829 -10.525 9 HZ PHE 51 HZ PHE 51 22.301 6.476 -10.519 No H/Q in entry = 9 In of MODEL 30 1 H SER 52 H SER 52 20.477 5.524 -3.698 2 HA SER 52 HA SER 52 21.135 2.720 -4.294 3 HB2 SER 52 HB2 SER 52 23.141 4.914 -3.693 4 HB3 SER 52 HB3 SER 52 23.520 3.204 -3.893 5 HG SER 52 HG SER 52 23.897 4.379 -5.811 No H/Q in entry = 5 In of MODEL 30 1 H LYS 53 H LYS 53 19.457 2.795 -2.486 2 HA LYS 53 HA LYS 53 18.864 2.438 -0.340 3 HB2 LYS 53 HB2 LYS 53 21.829 1.977 -0.005 4 HB3 LYS 53 HB3 LYS 53 20.635 1.647 1.243 5 HG2 LYS 53 HG2 LYS 53 19.514 0.106 -0.413 6 HG3 LYS 53 HG3 LYS 53 20.951 0.296 -1.421 7 HD2 LYS 53 HD2 LYS 53 22.349 -0.591 0.347 8 HD3 LYS 53 HD3 LYS 53 20.961 -0.684 1.434 9 HE2 LYS 53 HE2 LYS 53 19.902 -2.259 -0.190 10 HE3 LYS 53 HE3 LYS 53 21.415 -2.262 -1.092 11 HZ1 LYS 53 HZ1 LYS 53 22.534 -3.089 0.914 12 HZ2 LYS 53 HZ2 LYS 53 21.042 -3.151 1.720 13 HZ3 LYS 53 HZ3 LYS 53 21.320 -4.150 0.380 No H/Q in entry = 13 In of MODEL 30 1 H ASP 54 H ASP 54 21.950 3.737 0.696 2 HA ASP 54 HA ASP 54 22.524 5.480 2.018 3 HB2 ASP 54 HB2 ASP 54 21.642 6.804 0.070 4 HB3 ASP 54 HB3 ASP 54 20.101 6.913 0.915 No H/Q in entry = 4 In of MODEL 30 1 H TRP 55 H TRP 55 19.012 5.979 2.115 2 HA TRP 55 HA TRP 55 18.855 4.928 4.797 3 HB2 TRP 55 HB2 TRP 55 18.296 6.849 5.948 4 HB3 TRP 55 HB3 TRP 55 19.568 7.420 4.886 5 HD1 TRP 55 HD1 TRP 55 16.767 8.845 6.308 6 HE1 TRP 55 HE1 TRP 55 15.537 10.516 4.785 7 HE3 TRP 55 HE3 TRP 55 18.670 7.404 1.710 8 HZ2 TRP 55 HZ2 TRP 55 15.367 11.136 2.054 9 HZ3 TRP 55 HZ3 TRP 55 17.892 8.598 -0.277 10 HH2 TRP 55 HH2 TRP 55 16.282 10.427 -0.121 No H/Q in entry = 10 In of MODEL 30 1 H SER 56 H SER 56 16.762 4.502 5.451 2 HA SER 56 HA SER 56 14.719 4.705 3.365 3 HB2 SER 56 HB2 SER 56 14.231 2.235 3.989 4 HB3 SER 56 HB3 SER 56 15.588 2.581 2.915 5 HG SER 56 HG SER 56 15.801 1.154 4.955 No H/Q in entry = 5 In of MODEL 30 1 H PHE 57 H PHE 57 13.126 5.916 4.547 2 HA PHE 57 HA PHE 57 12.799 5.179 7.337 3 HB2 PHE 57 HB2 PHE 57 11.912 7.456 7.585 4 HB3 PHE 57 HB3 PHE 57 13.517 7.473 6.851 5 HD1 PHE 57 HD1 PHE 57 10.104 8.506 6.530 6 HD2 PHE 57 HD2 PHE 57 13.669 7.775 4.318 7 HE1 PHE 57 HE1 PHE 57 9.233 9.870 4.677 8 HE2 PHE 57 HE2 PHE 57 12.792 9.140 2.461 9 HZ PHE 57 HZ PHE 57 10.582 10.176 2.638 No H/Q in entry = 9 In of MODEL 30 1 H TYR 58 H TYR 58 10.267 6.645 7.373 2 HA TYR 58 HA TYR 58 8.310 4.699 6.981 3 HB2 TYR 58 HB2 TYR 58 7.984 6.693 8.336 4 HB3 TYR 58 HB3 TYR 58 8.264 7.744 6.963 5 HD1 TYR 58 HD1 TYR 58 6.499 7.987 5.206 6 HD2 TYR 58 HD2 TYR 58 5.779 5.826 8.807 7 HE1 TYR 58 HE1 TYR 58 4.064 8.191 4.834 8 HE2 TYR 58 HE2 TYR 58 3.340 6.022 8.439 9 HH TYR 58 HH TYR 58 2.031 7.170 5.465 No H/Q in entry = 9 In of MODEL 30 1 H LEU 59 H LEU 59 7.826 3.728 5.069 2 HA LEU 59 HA LEU 59 7.884 5.287 2.577 3 HB2 LEU 59 HB2 LEU 59 8.274 2.468 3.336 4 HB3 LEU 59 HB3 LEU 59 7.308 2.685 1.893 5 HG LEU 59 HG LEU 59 9.991 4.013 2.125 6 HD11 LEU 59 HD11 LEU 59 10.353 1.665 2.694 7 HD12 LEU 59 HD12 LEU 59 9.475 1.173 1.246 8 HD13 LEU 59 HD13 LEU 59 11.002 2.039 1.098 9 HD21 LEU 59 HD21 LEU 59 8.280 3.008 -0.150 10 HD22 LEU 59 HD22 LEU 59 8.623 4.687 0.259 11 HD23 LEU 59 HD23 LEU 59 9.912 3.646 -0.343 No H/Q in entry = 11 In of MODEL 30 1 H LEU 60 H LEU 60 5.968 6.061 1.828 2 HA LEU 60 HA LEU 60 3.597 4.365 2.100 3 HB2 LEU 60 HB2 LEU 60 3.332 5.968 3.820 4 HB3 LEU 60 HB3 LEU 60 3.886 7.271 2.792 5 HG LEU 60 HG LEU 60 1.798 6.974 1.426 6 HD11 LEU 60 HD11 LEU 60 1.047 5.167 3.710 7 HD12 LEU 60 HD12 LEU 60 -0.057 5.756 2.466 8 HD13 LEU 60 HD13 LEU 60 1.282 4.694 2.027 9 HD21 LEU 60 HD21 LEU 60 2.007 8.734 3.115 10 HD22 LEU 60 HD22 LEU 60 0.355 8.124 3.011 11 HD23 LEU 60 HD23 LEU 60 1.398 7.624 4.342 No H/Q in entry = 11 In of MODEL 30 1 H TYR 61 H TYR 61 2.212 4.414 0.415 2 HA TYR 61 HA TYR 61 2.762 6.185 -1.890 3 HB2 TYR 61 HB2 TYR 61 1.884 3.255 -1.825 4 HB3 TYR 61 HB3 TYR 61 1.806 4.253 -3.287 5 HD1 TYR 61 HD1 TYR 61 3.512 3.841 -4.796 6 HD2 TYR 61 HD2 TYR 61 4.396 3.546 -0.643 7 HE1 TYR 61 HE1 TYR 61 5.839 3.272 -5.344 8 HE2 TYR 61 HE2 TYR 61 6.732 2.984 -1.189 9 HH TYR 61 HH TYR 61 8.060 2.149 -2.948 No H/Q in entry = 9 In of MODEL 30 1 H TYR 62 H TYR 62 0.641 6.635 -3.143 2 HA TYR 62 HA TYR 62 -1.645 6.356 -1.336 3 HB2 TYR 62 HB2 TYR 62 -2.270 8.772 -1.761 4 HB3 TYR 62 HB3 TYR 62 -0.916 8.482 -0.681 5 HD1 TYR 62 HD1 TYR 62 1.281 9.280 -1.211 6 HD2 TYR 62 HD2 TYR 62 -1.867 9.677 -4.047 7 HE1 TYR 62 HE1 TYR 62 2.669 10.834 -2.526 8 HE2 TYR 62 HE2 TYR 62 -0.489 11.225 -5.372 9 HH TYR 62 HH TYR 62 2.776 11.569 -4.995 No H/Q in entry = 9 In of MODEL 30 1 H THR 63 H THR 63 -3.591 6.075 -2.235 2 HA THR 63 HA THR 63 -3.977 6.608 -5.087 3 HB THR 63 HB THR 63 -3.257 4.137 -4.631 4 HG1 THR 63 HG1 THR 63 -4.414 5.150 -6.529 5 HG21 THR 63 HG21 THR 63 -6.151 4.033 -3.799 6 HG22 THR 63 HG22 THR 63 -5.147 2.634 -4.163 7 HG23 THR 63 HG23 THR 63 -4.765 3.656 -2.779 No H/Q in entry = 7 In of MODEL 30 1 H GLU 64 H GLU 64 -6.061 7.204 -5.582 2 HA GLU 64 HA GLU 64 -7.880 7.949 -3.555 3 HB2 GLU 64 HB2 GLU 64 -7.820 9.012 -5.829 4 HB3 GLU 64 HB3 GLU 64 -8.406 7.509 -6.514 5 HG2 GLU 64 HG2 GLU 64 -10.435 7.799 -4.985 6 HG3 GLU 64 HG3 GLU 64 -9.852 9.445 -4.737 No H/Q in entry = 6 In of MODEL 30 1 H PHE 65 H PHE 65 -9.576 6.811 -2.600 2 HA PHE 65 HA PHE 65 -10.422 4.347 -3.951 3 HB2 PHE 65 HB2 PHE 65 -10.418 3.070 -1.955 4 HB3 PHE 65 HB3 PHE 65 -8.885 3.904 -2.022 5 HD1 PHE 65 HD1 PHE 65 -8.104 4.297 0.062 6 HD2 PHE 65 HD2 PHE 65 -12.238 4.918 -0.703 7 HE1 PHE 65 HE1 PHE 65 -8.427 5.080 2.383 8 HE2 PHE 65 HE2 PHE 65 -12.548 5.703 1.605 9 HZ PHE 65 HZ PHE 65 -10.661 5.775 3.152 No H/Q in entry = 9 In of MODEL 30 1 H THR 66 H THR 66 -12.578 3.695 -3.608 2 HA THR 66 HA THR 66 -14.181 5.298 -1.740 3 HB THR 66 HB THR 66 -15.067 4.464 -4.526 4 HG1 THR 66 HG1 THR 66 -13.868 6.734 -3.501 5 HG21 THR 66 HG21 THR 66 -16.478 5.985 -2.319 6 HG22 THR 66 HG22 THR 66 -17.040 5.909 -3.992 7 HG23 THR 66 HG23 THR 66 -16.947 4.435 -3.031 No H/Q in entry = 7 In of MODEL 30 1 HA PRO 67 HA PRO 67 -14.592 0.944 -0.649 2 HB2 PRO 67 HB2 PRO 67 -15.914 1.465 1.779 3 HB3 PRO 67 HB3 PRO 67 -14.191 1.162 1.553 4 HG2 PRO 67 HG2 PRO 67 -15.450 3.629 2.290 5 HG3 PRO 67 HG3 PRO 67 -13.728 3.306 2.044 6 HD2 PRO 67 HD2 PRO 67 -15.595 4.714 0.335 7 HD3 PRO 67 HD3 PRO 67 -13.831 4.607 0.210 No H/Q in entry = 7 In of MODEL 30 1 H THR 68 H THR 68 -16.001 -0.522 -0.766 2 HA THR 68 HA THR 68 -18.870 0.069 -0.717 3 HB THR 68 HB THR 68 -19.187 -1.505 -2.612 4 HG1 THR 68 HG1 THR 68 -17.347 -2.228 -3.765 5 HG21 THR 68 HG21 THR 68 -17.266 0.734 -3.261 6 HG22 THR 68 HG22 THR 68 -18.306 -0.093 -4.419 7 HG23 THR 68 HG23 THR 68 -19.019 0.877 -3.129 No H/Q in entry = 7 In of MODEL 30 1 H GLU 69 H GLU 69 -20.111 -1.815 -0.069 2 HA GLU 69 HA GLU 69 -18.943 -3.373 1.927 3 HB2 GLU 69 HB2 GLU 69 -21.249 -3.083 2.109 4 HB3 GLU 69 HB3 GLU 69 -21.552 -3.418 0.419 5 HG2 GLU 69 HG2 GLU 69 -20.712 -5.831 1.201 6 HG3 GLU 69 HG3 GLU 69 -21.415 -5.257 2.717 No H/Q in entry = 6 In of MODEL 30 1 H LYS 70 H LYS 70 -18.333 -3.694 -1.311 2 HA LYS 70 HA LYS 70 -17.973 -6.587 -1.084 3 HB2 LYS 70 HB2 LYS 70 -18.478 -4.928 -3.540 4 HB3 LYS 70 HB3 LYS 70 -18.062 -6.632 -3.582 5 HG2 LYS 70 HG2 LYS 70 -20.473 -5.642 -2.072 6 HG3 LYS 70 HG3 LYS 70 -20.523 -5.974 -3.799 7 HD2 LYS 70 HD2 LYS 70 -21.300 -7.944 -2.798 8 HD3 LYS 70 HD3 LYS 70 -19.634 -8.295 -3.237 9 HE2 LYS 70 HE2 LYS 70 -20.223 -7.283 -0.494 10 HE3 LYS 70 HE3 LYS 70 -20.604 -8.957 -0.879 11 HZ1 LYS 70 HZ1 LYS 70 -17.930 -7.698 -1.148 12 HZ2 LYS 70 HZ2 LYS 70 -18.399 -8.734 0.097 13 HZ3 LYS 70 HZ3 LYS 70 -18.295 -9.311 -1.494 No H/Q in entry = 13 In of MODEL 30 1 H ASP 71 H ASP 71 -16.115 -3.653 -1.664 2 HA ASP 71 HA ASP 71 -14.052 -5.259 -2.957 3 HB2 ASP 71 HB2 ASP 71 -14.740 -3.161 -4.072 4 HB3 ASP 71 HB3 ASP 71 -14.183 -2.248 -2.670 No H/Q in entry = 4 In of MODEL 30 1 H GLU 72 H GLU 72 -12.227 -5.770 -2.083 2 HA GLU 72 HA GLU 72 -11.501 -4.934 0.639 3 HB2 GLU 72 HB2 GLU 72 -11.870 -7.278 0.323 4 HB3 GLU 72 HB3 GLU 72 -10.891 -7.321 -1.121 5 HG2 GLU 72 HG2 GLU 72 -9.668 -6.682 1.513 6 HG3 GLU 72 HG3 GLU 72 -10.036 -8.344 1.074 No H/Q in entry = 6 In of MODEL 30 1 H TYR 73 H TYR 73 -9.451 -4.024 1.025 2 HA TYR 73 HA TYR 73 -7.904 -3.299 -1.379 3 HB2 TYR 73 HB2 TYR 73 -8.403 -1.685 1.127 4 HB3 TYR 73 HB3 TYR 73 -7.191 -1.258 -0.067 5 HD1 TYR 73 HD1 TYR 73 -10.838 -1.871 0.331 6 HD2 TYR 73 HD2 TYR 73 -7.773 0.056 -1.897 7 HE1 TYR 73 HE1 TYR 73 -12.540 -0.600 -0.906 8 HE2 TYR 73 HE2 TYR 73 -9.471 1.323 -3.138 9 HH TYR 73 HH TYR 73 -11.862 1.115 -3.722 No H/Q in entry = 9 In of MODEL 30 1 H ALA 74 H ALA 74 -5.805 -3.823 -1.437 2 HA ALA 74 HA ALA 74 -4.508 -4.767 1.033 3 HB1 ALA 74 HB1 ALA 74 -5.332 -6.679 -0.239 4 HB2 ALA 74 HB2 ALA 74 -4.466 -6.108 -1.668 5 HB3 ALA 74 HB3 ALA 74 -3.569 -6.631 -0.238 No H/Q in entry = 5 In of MODEL 30 1 H CYS 75 H CYS 75 -2.126 -4.736 0.953 2 HA CYS 75 HA CYS 75 -1.048 -3.218 -1.340 3 HB2 CYS 75 HB2 CYS 75 -1.041 -1.719 0.523 4 HB3 CYS 75 HB3 CYS 75 -0.301 -2.933 1.559 No H/Q in entry = 4 In of MODEL 30 1 H ARG 76 H ARG 76 0.613 -4.132 -2.371 2 HA ARG 76 HA ARG 76 1.646 -6.710 -1.387 3 HB2 ARG 76 HB2 ARG 76 0.404 -6.400 -3.595 4 HB3 ARG 76 HB3 ARG 76 1.823 -5.510 -4.146 5 HG2 ARG 76 HG2 ARG 76 3.156 -7.517 -4.026 6 HG3 ARG 76 HG3 ARG 76 1.852 -8.399 -3.226 7 HD2 ARG 76 HD2 ARG 76 1.972 -8.965 -5.651 8 HD3 ARG 76 HD3 ARG 76 0.448 -8.162 -5.229 9 HE ARG 76 HE ARG 76 2.401 -6.252 -6.006 10 HH11 ARG 76 HH11 ARG 76 0.229 -8.635 -7.393 11 HH12 ARG 76 HH12 ARG 76 0.185 -7.850 -8.944 12 HH21 ARG 76 HH21 ARG 76 2.331 -5.228 -8.009 13 HH22 ARG 76 HH22 ARG 76 1.385 -5.917 -9.300 No H/Q in entry = 13 In of MODEL 30 1 H VAL 77 H VAL 77 3.807 -6.865 -0.817 2 HA VAL 77 HA VAL 77 5.649 -4.893 -2.013 3 HB VAL 77 HB VAL 77 4.953 -4.409 0.472 4 HG11 VAL 77 HG11 VAL 77 7.139 -6.445 0.861 5 HG12 VAL 77 HG12 VAL 77 6.509 -5.361 2.102 6 HG13 VAL 77 HG13 VAL 77 5.465 -6.596 1.392 7 HG21 VAL 77 HG21 VAL 77 6.586 -3.147 -0.837 8 HG22 VAL 77 HG22 VAL 77 7.099 -3.338 0.843 9 HG23 VAL 77 HG23 VAL 77 7.826 -4.331 -0.421 No H/Q in entry = 9 In of MODEL 30 1 H ASN 78 H ASN 78 7.523 -5.592 -2.654 2 HA ASN 78 HA ASN 78 8.493 -8.236 -1.769 3 HB2 ASN 78 HB2 ASN 78 7.323 -8.387 -4.015 4 HB3 ASN 78 HB3 ASN 78 8.617 -7.375 -4.667 5 HD21 ASN 78 HD21 ASN 78 9.265 -9.039 -6.065 6 HD22 ASN 78 HD22 ASN 78 10.131 -10.425 -5.490 No H/Q in entry = 6 In of MODEL 30 1 H HIS 79 H HIS 79 10.636 -8.519 -1.630 2 HA HIS 79 HA HIS 79 12.430 -6.388 -2.532 3 HB2 HIS 79 HB2 HIS 79 11.911 -6.123 -0.055 4 HB3 HIS 79 HB3 HIS 79 12.659 -7.691 0.199 5 HD2 HIS 79 HD2 HIS 79 13.599 -4.017 -0.285 6 HE1 HIS 79 HE1 HIS 79 17.180 -6.262 -0.070 7 HE2 HIS 79 HE2 HIS 79 16.199 -3.938 -0.328 No H/Q in entry = 7 In of MODEL 30 1 H VAL 80 H VAL 80 14.668 -7.186 -2.678 2 HA VAL 80 HA VAL 80 14.836 -9.602 -4.078 3 HB VAL 80 HB VAL 80 17.151 -8.195 -2.739 4 HG11 VAL 80 HG11 VAL 80 17.048 -10.005 -5.157 5 HG12 VAL 80 HG12 VAL 80 18.477 -9.137 -4.594 6 HG13 VAL 80 HG13 VAL 80 17.754 -10.389 -3.586 7 HG21 VAL 80 HG21 VAL 80 15.853 -7.665 -5.406 8 HG22 VAL 80 HG22 VAL 80 15.935 -6.574 -4.024 9 HG23 VAL 80 HG23 VAL 80 17.404 -7.001 -4.897 No H/Q in entry = 9 In of MODEL 30 1 H THR 81 H THR 81 14.822 -9.102 -0.677 2 HA THR 81 HA THR 81 16.300 -11.517 -0.066 3 HB THR 81 HB THR 81 16.461 -9.790 1.586 4 HG1 THR 81 HG1 THR 81 15.782 -12.204 2.171 5 HG21 THR 81 HG21 THR 81 13.442 -9.881 1.790 6 HG22 THR 81 HG22 THR 81 14.512 -8.967 2.854 7 HG23 THR 81 HG23 THR 81 14.410 -8.556 1.142 No H/Q in entry = 7 In of MODEL 30 1 H LEU 82 H LEU 82 12.858 -10.539 0.276 2 HA LEU 82 HA LEU 82 11.810 -13.053 0.821 3 HB2 LEU 82 HB2 LEU 82 10.452 -11.003 -0.940 4 HB3 LEU 82 HB3 LEU 82 9.690 -12.256 0.024 5 HG LEU 82 HG LEU 82 11.212 -9.976 1.263 6 HD11 LEU 82 HD11 LEU 82 8.289 -10.213 0.607 7 HD12 LEU 82 HD12 LEU 82 8.977 -9.010 1.696 8 HD13 LEU 82 HD13 LEU 82 9.434 -9.019 -0.006 9 HD21 LEU 82 HD21 LEU 82 10.907 -11.956 2.677 10 HD22 LEU 82 HD22 LEU 82 9.942 -10.600 3.258 11 HD23 LEU 82 HD23 LEU 82 9.171 -11.910 2.365 No H/Q in entry = 11 In of MODEL 30 1 H SER 83 H SER 83 10.781 -14.621 -0.505 2 HA SER 83 HA SER 83 11.722 -14.686 -3.318 3 HB2 SER 83 HB2 SER 83 12.604 -16.509 -1.911 4 HB3 SER 83 HB3 SER 83 10.960 -16.988 -1.491 5 HG SER 83 HG SER 83 10.760 -17.085 -3.951 No H/Q in entry = 5 In of MODEL 30 1 H GLN 84 H GLN 84 9.221 -13.634 -1.774 2 HA GLN 84 HA GLN 84 7.307 -14.074 -3.768 3 HB2 GLN 84 HB2 GLN 84 5.612 -15.265 -2.369 4 HB3 GLN 84 HB3 GLN 84 7.004 -16.253 -2.779 5 HG2 GLN 84 HG2 GLN 84 7.914 -15.936 -0.533 6 HG3 GLN 84 HG3 GLN 84 6.568 -14.868 -0.129 7 HE21 GLN 84 HE21 GLN 84 7.414 -17.372 1.105 8 HE22 GLN 84 HE22 GLN 84 6.045 -18.428 1.016 No H/Q in entry = 8 In of MODEL 30 1 HA PRO 85 HA PRO 85 6.485 -10.194 -1.579 2 HB2 PRO 85 HB2 PRO 85 4.354 -9.372 -3.077 3 HB3 PRO 85 HB3 PRO 85 6.060 -9.065 -3.466 4 HG2 PRO 85 HG2 PRO 85 4.182 -11.092 -4.598 5 HG3 PRO 85 HG3 PRO 85 5.498 -10.204 -5.397 6 HD2 PRO 85 HD2 PRO 85 5.736 -12.856 -4.606 7 HD3 PRO 85 HD3 PRO 85 7.128 -11.729 -4.720 No H/Q in entry = 7 In of MODEL 30 1 H LYS 86 H LYS 86 4.841 -9.326 -0.276 2 HA LYS 86 HA LYS 86 2.838 -11.353 0.471 3 HB2 LYS 86 HB2 LYS 86 3.916 -9.162 2.251 4 HB3 LYS 86 HB3 LYS 86 2.952 -10.551 2.732 5 HG2 LYS 86 HG2 LYS 86 4.780 -12.031 2.534 6 HG3 LYS 86 HG3 LYS 86 5.677 -10.904 1.533 7 HD2 LYS 86 HD2 LYS 86 6.814 -10.738 3.508 8 HD3 LYS 86 HD3 LYS 86 5.662 -9.424 3.705 9 HE2 LYS 86 HE2 LYS 86 5.785 -10.717 5.739 10 HE3 LYS 86 HE3 LYS 86 4.201 -10.956 5.000 11 HZ1 LYS 86 HZ1 LYS 86 6.497 -12.829 4.768 12 HZ2 LYS 86 HZ2 LYS 86 5.180 -13.023 5.818 13 HZ3 LYS 86 HZ3 LYS 86 4.940 -13.073 4.140 No H/Q in entry = 13 In of MODEL 30 1 H ILE 87 H ILE 87 0.806 -10.757 0.907 2 HA ILE 87 HA ILE 87 0.030 -8.027 0.111 3 HB ILE 87 HB ILE 87 -1.231 -10.597 -0.523 4 HG12 ILE 87 HG12 ILE 87 -0.634 -9.285 -2.376 5 HG13 ILE 87 HG13 ILE 87 -2.374 -9.004 -2.241 6 HG21 ILE 87 HG21 ILE 87 -2.923 -8.376 0.579 7 HG22 ILE 87 HG22 ILE 87 -3.554 -9.607 -0.519 8 HG23 ILE 87 HG23 ILE 87 -2.904 -10.073 1.058 9 HD11 ILE 87 HD11 ILE 87 -1.954 -6.928 -1.065 10 HD12 ILE 87 HD12 ILE 87 -0.217 -7.179 -1.245 11 HD13 ILE 87 HD13 ILE 87 -1.230 -6.949 -2.669 No H/Q in entry = 11 In of MODEL 30 1 H VAL 88 H VAL 88 -0.887 -6.726 1.519 2 HA VAL 88 HA VAL 88 -1.830 -7.859 4.066 3 HB VAL 88 HB VAL 88 0.124 -6.460 4.442 4 HG11 VAL 88 HG11 VAL 88 -1.381 -4.291 3.024 5 HG12 VAL 88 HG12 VAL 88 0.110 -4.060 3.934 6 HG13 VAL 88 HG13 VAL 88 0.110 -5.068 2.483 7 HG21 VAL 88 HG21 VAL 88 -2.460 -5.178 5.279 8 HG22 VAL 88 HG22 VAL 88 -1.534 -6.390 6.164 9 HG23 VAL 88 HG23 VAL 88 -0.886 -4.760 5.959 No H/Q in entry = 9 In of MODEL 30 1 H LYS 89 H LYS 89 -3.985 -7.632 4.356 2 HA LYS 89 HA LYS 89 -5.303 -5.726 2.562 3 HB2 LYS 89 HB2 LYS 89 -6.566 -8.158 3.806 4 HB3 LYS 89 HB3 LYS 89 -7.210 -7.137 2.526 5 HG2 LYS 89 HG2 LYS 89 -5.829 -8.031 0.932 6 HG3 LYS 89 HG3 LYS 89 -4.631 -8.544 2.121 7 HD2 LYS 89 HD2 LYS 89 -7.376 -9.740 1.886 8 HD3 LYS 89 HD3 LYS 89 -5.951 -10.411 1.095 9 HE2 LYS 89 HE2 LYS 89 -4.907 -10.749 3.276 10 HE3 LYS 89 HE3 LYS 89 -6.308 -10.029 4.069 11 HZ1 LYS 89 HZ1 LYS 89 -7.661 -11.833 3.064 12 HZ2 LYS 89 HZ2 LYS 89 -6.232 -12.565 2.522 13 HZ3 LYS 89 HZ3 LYS 89 -6.518 -12.380 4.183 No H/Q in entry = 13 In of MODEL 30 1 H TRP 90 H TRP 90 -6.892 -4.419 3.344 2 HA TRP 90 HA TRP 90 -6.489 -3.660 6.099 3 HB2 TRP 90 HB2 TRP 90 -6.595 -1.942 4.329 4 HB3 TRP 90 HB3 TRP 90 -8.235 -2.448 3.946 5 HD1 TRP 90 HD1 TRP 90 -6.722 -1.445 7.414 6 HE1 TRP 90 HE1 TRP 90 -8.163 0.383 8.395 7 HE3 TRP 90 HE3 TRP 90 -9.996 -0.800 3.491 8 HZ2 TRP 90 HZ2 TRP 90 -10.457 1.890 7.676 9 HZ3 TRP 90 HZ3 TRP 90 -11.776 0.862 3.725 10 HH2 TRP 90 HH2 TRP 90 -12.012 2.194 5.753 No H/Q in entry = 10 In of MODEL 30 1 H ASP 91 H ASP 91 -7.746 -4.102 7.791 2 HA ASP 91 HA ASP 91 -9.768 -6.103 7.474 3 HB2 ASP 91 HB2 ASP 91 -9.922 -6.087 9.922 4 HB3 ASP 91 HB3 ASP 91 -8.254 -6.223 9.379 No H/Q in entry = 4 In of MODEL 30 1 H ARG 92 H ARG 92 -11.660 -5.604 6.702 2 HA ARG 92 HA ARG 92 -13.565 -4.034 7.971 3 HB2 ARG 92 HB2 ARG 92 -13.716 -2.047 6.624 4 HB3 ARG 92 HB3 ARG 92 -12.033 -2.199 7.131 5 HG2 ARG 92 HG2 ARG 92 -11.580 -1.779 5.000 6 HG3 ARG 92 HG3 ARG 92 -11.890 -3.510 4.788 7 HD2 ARG 92 HD2 ARG 92 -13.269 -1.255 3.607 8 HD3 ARG 92 HD3 ARG 92 -13.503 -2.983 3.318 9 HE ARG 92 HE ARG 92 -14.822 -1.939 5.675 10 HH11 ARG 92 HH11 ARG 92 -15.055 -2.664 2.261 11 HH12 ARG 92 HH12 ARG 92 -16.784 -2.708 2.249 12 HH21 ARG 92 HH21 ARG 92 -17.102 -2.013 5.687 13 HH22 ARG 92 HH22 ARG 92 -17.959 -2.353 4.213 No H/Q in entry = 13 In of MODEL 30 1 H ASP 93 H ASP 93 -12.461 -5.976 5.494 2 HA ASP 93 HA ASP 93 -15.029 -6.748 4.578 3 HB2 ASP 93 HB2 ASP 93 -14.750 -4.585 3.354 4 HB3 ASP 93 HB3 ASP 93 -13.333 -5.275 2.555 No H/Q in entry = 4 In of MODEL 30 1 HA MET 94 HA MET 94 -10.960 -8.899 2.907 2 HB2 MET 94 HB2 MET 94 -9.766 -10.016 5.152 3 HB3 MET 94 HB3 MET 94 -9.093 -8.758 4.121 4 HG2 MET 94 HG2 MET 94 -9.007 -8.276 6.589 5 HG3 MET 94 HG3 MET 94 -9.792 -7.017 5.627 6 HE1 MET 94 HE1 MET 94 -10.926 -10.497 7.177 7 HE2 MET 94 HE2 MET 94 -10.033 -9.642 8.434 8 HE3 MET 94 HE3 MET 94 -11.767 -9.914 8.612 No H/Q in entry = 8
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