NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22414 | 2jof | 15169 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASP 1 HA ASP 1 23.277 7.619 -3.898 2 H1 ASP 1 H1 ASP 1 21.615 6.396 -5.055 3 H2 ASP 1 H2 ASP 1 20.971 5.826 -3.642 4 H3 ASP 1 H3 ASP 1 20.915 7.447 -3.972 5 HB2 ASP 1 HB2 ASP 1 21.647 6.764 -1.514 6 HB3 ASP 1 HB3 ASP 1 23.371 7.165 -1.335 7 H ALA 2 H ALA 2 25.180 6.726 -4.113 8 HA ALA 2 HA ALA 2 25.629 3.894 -4.122 9 HB1 ALA 2 HB3 ALA 2 27.997 4.599 -4.361 10 HB2 ALA 2 HB1 ALA 2 26.931 5.464 -5.481 11 HB3 ALA 2 HB2 ALA 2 27.531 6.282 -4.022 12 H TYR 3 H TYR 3 26.223 6.454 -1.632 13 HA TYR 3 HA TYR 3 27.654 4.808 0.166 14 HD1 TYR 3 HD1 TYR 3 26.607 5.414 3.289 15 HD2 TYR 3 HD2 TYR 3 29.300 7.875 0.982 16 HE1 TYR 3 HE1 TYR 3 28.356 5.178 5.045 17 HE2 TYR 3 HE2 TYR 3 31.031 7.626 2.712 18 HH TYR 3 HH TYR 3 31.635 6.447 4.622 19 HB2 TYR 3 HB2 TYR 3 27.192 7.417 0.116 20 HB3 TYR 3 HB3 TYR 3 25.880 7.012 1.210 21 H ALA 4 H ALA 4 24.147 5.314 -0.157 22 HA ALA 4 HA ALA 4 23.253 3.836 2.096 23 HB1 ALA 4 HB3 ALA 4 21.158 3.598 0.797 24 HB2 ALA 4 HB1 ALA 4 21.791 5.252 0.691 25 HB3 ALA 4 HB2 ALA 4 21.992 4.132 -0.673 26 H GLN 5 H GLN 5 24.011 2.736 -1.242 27 HA GLN 5 HA GLN 5 23.534 -0.029 -0.673 28 HB2 GLN 5 HB2 GLN 5 23.626 1.313 -2.927 29 HB3 GLN 5 HB3 GLN 5 25.335 0.889 -2.923 30 HG2 GLN 5 HG2 GLN 5 24.897 -1.383 -3.247 31 HG3 GLN 5 HG3 GLN 5 23.368 -1.342 -2.374 32 HE21 GLN 5 HE22 GLN 5 21.493 -0.087 -3.479 33 HE22 GLN 5 HE21 GLN 5 21.487 -0.274 -5.238 34 H TRP 6 H TRP 6 26.531 1.932 -0.742 35 HA TRP 6 HA TRP 6 28.488 0.036 -0.224 36 HD1 TRP 6 HD1 TRP 6 31.132 1.354 -0.957 37 HE1 TRP 6 HE1 TRP 6 33.220 0.985 0.488 38 HE3 TRP 6 HE3 TRP 6 29.219 2.809 3.550 39 HZ2 TRP 6 HZ2 TRP 6 33.993 1.416 3.234 40 HZ3 TRP 6 HZ3 TRP 6 30.691 2.941 5.549 41 HH2 TRP 6 HH2 TRP 6 33.070 2.254 5.404 42 HB2 TRP 6 HB2 TRP 6 28.799 2.512 -0.558 43 HB3 TRP 6 HB3 TRP 6 28.292 2.767 1.107 44 H LEU 7 H LEU 7 26.478 1.639 2.274 45 HA LEU 7 HA LEU 7 27.424 -0.004 4.450 46 HG LEU 7 HG LEU 7 27.003 2.932 4.210 47 HB2 LEU 7 HB2 LEU 7 24.848 1.570 4.079 48 HB3 LEU 7 HB3 LEU 7 25.319 0.797 5.593 49 HD11 LEU 7 HD11 LEU 7 24.850 3.874 4.866 50 HD12 LEU 7 HD12 LEU 7 25.016 3.188 6.501 51 HD13 LEU 7 HD13 LEU 7 26.124 4.461 5.946 52 HD21 LEU 7 HD23 LEU 7 28.098 3.127 6.420 53 HD22 LEU 7 HD21 LEU 7 27.097 1.803 7.047 54 HD23 LEU 7 HD22 LEU 7 28.299 1.498 5.774 55 H LYS 8 H LYS 8 24.570 -0.418 2.287 56 HA LYS 8 HA LYS 8 23.474 -2.725 3.581 57 HB2 LYS 8 HB2 LYS 8 23.228 -1.511 0.847 58 HB3 LYS 8 HB3 LYS 8 22.887 -3.225 0.955 59 HG2 LYS 8 HG2 LYS 8 20.809 -2.185 1.237 60 HG3 LYS 8 HG3 LYS 8 21.284 -2.758 2.840 61 HD2 LYS 8 HD2 LYS 8 22.137 -0.401 3.312 62 HD3 LYS 8 HD3 LYS 8 21.414 0.088 1.760 63 HE2 LYS 8 HE2 LYS 8 19.204 -0.487 2.504 64 HE3 LYS 8 HE3 LYS 8 19.831 -1.297 3.949 65 HZ1 LYS 8 HZ3 LYS 8 19.004 0.932 4.446 66 HZ2 LYS 8 HZ1 LYS 8 20.616 0.821 4.756 67 HZ3 LYS 8 HZ2 LYS 8 20.096 1.600 3.408 68 H ASP 9 H ASP 9 25.939 -2.622 0.983 69 HA ASP 9 HA ASP 9 26.281 -5.473 0.871 70 HB2 ASP 9 HB2 ASP 9 28.103 -3.148 0.151 71 HB3 ASP 9 HB3 ASP 9 28.552 -4.825 -0.108 72 H GLY 10 H GLY 10 27.248 -3.323 3.417 73 HA2 GLY 10 HA2 GLY 10 28.056 -4.353 5.464 74 HA3 GLY 10 HA3 GLY 10 29.134 -5.379 4.525 75 H GLY 11 H GLY 11 29.114 -2.158 3.334 76 HA2 GLY 11 HA2 GLY 11 30.684 -0.573 3.173 77 HA3 GLY 11 HA3 GLY 11 30.615 -0.558 4.924 78 HA PRO 12 HA PRO 12 35.055 -1.394 4.547 79 HB2 PRO 12 HB2 PRO 12 34.733 -2.496 7.334 80 HB3 PRO 12 HB3 PRO 12 35.943 -1.334 6.711 81 HG2 PRO 12 HG2 PRO 12 33.840 -0.481 8.201 82 HG3 PRO 12 HG3 PRO 12 34.368 0.450 6.761 83 HD2 PRO 12 HD2 PRO 12 32.072 -1.512 6.993 84 HD3 PRO 12 HD3 PRO 12 32.115 0.098 6.221 85 H SER 13 H SER 13 32.738 -3.832 5.644 86 HA SER 13 HA SER 13 34.370 -6.153 5.663 87 HG SER 13 HG SER 13 31.283 -4.896 6.477 88 HB2 SER 13 HB2 SER 13 31.469 -6.180 4.781 89 HB3 SER 13 HB3 SER 13 32.358 -7.392 5.711 90 H SER 14 H SER 14 32.569 -4.568 3.045 91 HA SER 14 HA SER 14 32.935 -6.603 1.064 92 HG SER 14 HG SER 14 30.149 -4.105 1.234 93 HB2 SER 14 HB2 SER 14 32.268 -3.718 0.518 94 HB3 SER 14 HB3 SER 14 31.601 -5.175 -0.246 95 H GLY 15 H GLY 15 34.917 -3.979 2.125 96 HA2 GLY 15 HA2 GLY 15 36.941 -3.157 1.454 97 HA3 GLY 15 HA3 GLY 15 37.037 -4.455 0.267 98 H ARG 16 H ARG 16 34.379 -3.184 -0.852 99 HA ARG 16 HA ARG 16 35.379 -1.630 -2.962 100 HE ARG 16 HE ARG 16 29.949 -0.927 -2.761 101 HB2 ARG 16 HB2 ARG 16 33.058 -0.882 -3.354 102 HB3 ARG 16 HB3 ARG 16 33.246 -2.616 -3.134 103 HG2 ARG 16 HG2 ARG 16 32.615 -1.943 -0.576 104 HG3 ARG 16 HG3 ARG 16 31.847 -0.606 -1.396 105 HD2 ARG 16 HD2 ARG 16 31.392 -3.480 -2.253 106 HD3 ARG 16 HD3 ARG 16 30.485 -2.756 -0.926 107 HH11 ARG 16 HH11 ARG 16 29.943 -4.362 -3.261 108 HH12 ARG 16 HH12 ARG 16 28.218 -4.410 -3.326 109 HH21 ARG 16 HH21 ARG 16 27.838 -0.987 -3.615 110 HH22 ARG 16 HH22 ARG 16 27.179 -2.551 -3.974 111 HA PRO 17 HA PRO 17 36.660 2.124 -0.916 112 HB2 PRO 17 HB2 PRO 17 36.131 3.335 -3.635 113 HB3 PRO 17 HB3 PRO 17 37.533 3.573 -2.546 114 HG2 PRO 17 HG2 PRO 17 37.714 1.891 -4.664 115 HG3 PRO 17 HG3 PRO 17 38.407 1.416 -3.079 116 HD2 PRO 17 HD2 PRO 17 35.783 0.566 -4.313 117 HD3 PRO 17 HD3 PRO 17 37.004 -0.405 -3.429 118 HA PRO 18 HA PRO 18 32.559 3.848 -0.067 119 HB2 PRO 18 HB2 PRO 18 33.308 5.919 1.654 120 HB3 PRO 18 HB3 PRO 18 33.012 4.228 2.123 121 HG2 PRO 18 HG2 PRO 18 35.638 5.591 1.540 122 HG3 PRO 18 HG3 PRO 18 35.257 4.404 2.829 123 HD2 PRO 18 HD2 PRO 18 36.555 3.713 0.535 124 HD3 PRO 18 HD3 PRO 18 35.402 2.595 1.328 125 HA PRO 19 HA PRO 19 32.656 7.318 -2.940 126 HB2 PRO 19 HB2 PRO 19 30.013 7.964 -3.009 127 HB3 PRO 19 HB3 PRO 19 30.654 6.452 -3.722 128 HG2 PRO 19 HG2 PRO 19 29.290 6.824 -1.053 129 HG3 PRO 19 HG3 PRO 19 29.051 5.523 -2.254 130 HD2 PRO 19 HD2 PRO 19 30.670 5.290 -0.023 131 HD3 PRO 19 HD3 PRO 19 30.916 4.365 -1.536 132 H SER 20 H SER 20 33.612 9.143 -2.241 133 HA SER 20 HA SER 20 32.672 10.738 0.059 134 HG SER 20 HG SER 20 36.049 11.058 0.092 135 HB2 SER 20 HB2 SER 20 34.868 11.123 -2.011 136 HB3 SER 20 HB3 SER 20 34.445 12.332 -0.780 Start of MODEL 2 1 HA ASP 1 HA ASP 1 23.639 7.619 -4.423 2 H1 ASP 1 H1 ASP 1 21.892 6.256 -5.262 3 H2 ASP 1 H2 ASP 1 21.291 6.000 -3.749 4 H3 ASP 1 H3 ASP 1 21.248 7.516 -4.410 5 HB2 ASP 1 HB2 ASP 1 21.930 7.989 -2.244 6 HB3 ASP 1 HB3 ASP 1 23.236 6.989 -1.581 7 H ALA 2 H ALA 2 25.588 6.558 -4.370 8 HA ALA 2 HA ALA 2 25.570 3.661 -4.251 9 HB1 ALA 2 HB3 ALA 2 28.010 3.926 -4.610 10 HB2 ALA 2 HB1 ALA 2 27.056 4.872 -5.766 11 HB3 ALA 2 HB2 ALA 2 27.847 5.685 -4.398 12 H TYR 3 H TYR 3 26.365 6.237 -1.903 13 HA TYR 3 HA TYR 3 27.808 4.617 -0.065 14 HD1 TYR 3 HD1 TYR 3 26.867 5.354 3.005 15 HD2 TYR 3 HD2 TYR 3 29.495 7.781 0.591 16 HE1 TYR 3 HE1 TYR 3 28.571 5.338 4.818 17 HE2 TYR 3 HE2 TYR 3 31.170 7.784 2.407 18 HH TYR 3 HH TYR 3 31.495 7.296 4.671 19 HB2 TYR 3 HB2 TYR 3 27.403 7.236 -0.249 20 HB3 TYR 3 HB3 TYR 3 26.105 6.917 0.882 21 H ALA 4 H ALA 4 24.318 5.190 -0.414 22 HA ALA 4 HA ALA 4 23.376 3.899 1.933 23 HB1 ALA 4 HB3 ALA 4 21.268 3.692 0.678 24 HB2 ALA 4 HB1 ALA 4 21.991 5.289 0.407 25 HB3 ALA 4 HB2 ALA 4 22.110 4.035 -0.846 26 H GLN 5 H GLN 5 24.115 2.555 -1.315 27 HA GLN 5 HA GLN 5 23.555 -0.152 -0.516 28 HB2 GLN 5 HB2 GLN 5 23.764 1.021 -2.948 29 HB3 GLN 5 HB3 GLN 5 25.401 0.380 -2.818 30 HG2 GLN 5 HG2 GLN 5 24.185 -1.350 -3.866 31 HG3 GLN 5 HG3 GLN 5 24.249 -1.889 -2.187 32 HE21 GLN 5 HE22 GLN 5 22.172 -1.703 -0.882 33 HE22 GLN 5 HE21 GLN 5 20.686 -1.455 -1.814 34 H TRP 6 H TRP 6 26.553 1.780 -0.674 35 HA TRP 6 HA TRP 6 28.465 -0.188 -0.051 36 HD1 TRP 6 HD1 TRP 6 31.149 0.983 -1.069 37 HE1 TRP 6 HE1 TRP 6 33.328 0.812 0.297 38 HE3 TRP 6 HE3 TRP 6 29.411 2.650 3.451 39 HZ2 TRP 6 HZ2 TRP 6 34.173 1.257 2.996 40 HZ3 TRP 6 HZ3 TRP 6 30.948 2.816 5.396 41 HH2 TRP 6 HH2 TRP 6 33.323 2.133 5.180 42 HB2 TRP 6 HB2 TRP 6 28.852 2.237 -0.636 43 HB3 TRP 6 HB3 TRP 6 28.444 2.647 1.024 44 H LEU 7 H LEU 7 26.570 1.745 2.332 45 HA LEU 7 HA LEU 7 27.466 0.210 4.604 46 HG LEU 7 HG LEU 7 27.189 3.134 4.183 47 HB2 LEU 7 HB2 LEU 7 24.966 1.881 4.159 48 HB3 LEU 7 HB3 LEU 7 25.412 1.184 5.717 49 HD11 LEU 7 HD11 LEU 7 25.090 4.224 4.814 50 HD12 LEU 7 HD12 LEU 7 25.258 3.637 6.484 51 HD13 LEU 7 HD13 LEU 7 26.414 4.815 5.831 52 HD21 LEU 7 HD23 LEU 7 28.323 3.413 6.366 53 HD22 LEU 7 HD21 LEU 7 27.269 2.181 7.084 54 HD23 LEU 7 HD22 LEU 7 28.436 1.740 5.819 55 H LYS 8 H LYS 8 24.551 -0.224 2.542 56 HA LYS 8 HA LYS 8 23.353 -2.349 3.970 57 HB2 LYS 8 HB2 LYS 8 22.224 -1.104 2.236 58 HB3 LYS 8 HB3 LYS 8 23.337 -1.684 1.003 59 HG2 LYS 8 HG2 LYS 8 21.735 -3.703 2.568 60 HG3 LYS 8 HG3 LYS 8 20.920 -2.758 1.330 61 HD2 LYS 8 HD2 LYS 8 22.025 -3.734 -0.430 62 HD3 LYS 8 HD3 LYS 8 23.500 -4.008 0.458 63 HE2 LYS 8 HE2 LYS 8 21.238 -5.583 1.516 64 HE3 LYS 8 HE3 LYS 8 21.541 -5.889 -0.202 65 HZ1 LYS 8 HZ3 LYS 8 22.929 -7.347 1.108 66 HZ2 LYS 8 HZ1 LYS 8 23.919 -6.223 0.391 67 HZ3 LYS 8 HZ2 LYS 8 23.551 -6.052 1.968 68 H ASP 9 H ASP 9 26.127 -2.558 1.823 69 HA ASP 9 HA ASP 9 26.123 -5.530 2.036 70 HB2 ASP 9 HB2 ASP 9 27.743 -3.600 0.361 71 HB3 ASP 9 HB3 ASP 9 27.987 -5.356 0.380 72 H GLY 10 H GLY 10 26.804 -3.481 4.281 73 HA2 GLY 10 HA2 GLY 10 27.850 -4.067 6.288 74 HA3 GLY 10 HA3 GLY 10 28.870 -5.239 5.454 75 H GLY 11 H GLY 11 28.627 -2.055 4.073 76 HA2 GLY 11 HA2 GLY 11 30.102 -0.378 3.710 77 HA3 GLY 11 HA3 GLY 11 30.477 -0.481 5.419 78 HA PRO 12 HA PRO 12 34.642 -1.450 3.886 79 HB2 PRO 12 HB2 PRO 12 34.930 -2.666 6.628 80 HB3 PRO 12 HB3 PRO 12 36.024 -1.536 5.774 81 HG2 PRO 12 HG2 PRO 12 34.383 -0.661 7.754 82 HG3 PRO 12 HG3 PRO 12 34.616 0.317 6.267 83 HD2 PRO 12 HD2 PRO 12 32.325 -1.530 6.969 84 HD3 PRO 12 HD3 PRO 12 32.287 0.107 6.251 85 H SER 13 H SER 13 32.534 -3.844 5.421 86 HA SER 13 HA SER 13 33.906 -6.256 4.972 87 HG SER 13 HG SER 13 31.210 -4.906 6.464 88 HB2 SER 13 HB2 SER 13 30.914 -5.927 4.577 89 HB3 SER 13 HB3 SER 13 31.795 -7.348 5.153 90 H SER 14 H SER 14 32.186 -4.217 2.719 91 HA SER 14 HA SER 14 31.941 -6.025 0.506 92 HG SER 14 HG SER 14 30.926 -2.956 1.863 93 HB2 SER 14 HB2 SER 14 32.251 -3.048 0.194 94 HB3 SER 14 HB3 SER 14 31.187 -4.163 -0.687 95 H GLY 15 H GLY 15 34.721 -4.301 1.757 96 HA2 GLY 15 HA2 GLY 15 36.843 -3.982 1.002 97 HA3 GLY 15 HA3 GLY 15 36.542 -5.238 -0.197 98 H ARG 16 H ARG 16 34.541 -2.393 -0.376 99 HA ARG 16 HA ARG 16 36.026 -1.500 -2.798 100 HE ARG 16 HE ARG 16 30.018 -1.967 -1.723 101 HB2 ARG 16 HB2 ARG 16 33.642 -0.456 -3.351 102 HB3 ARG 16 HB3 ARG 16 34.146 -2.072 -3.830 103 HG2 ARG 16 HG2 ARG 16 32.959 -3.029 -1.893 104 HG3 ARG 16 HG3 ARG 16 32.389 -1.408 -1.435 105 HD2 ARG 16 HD2 ARG 16 31.735 -1.808 -4.183 106 HD3 ARG 16 HD3 ARG 16 31.402 -3.347 -3.398 107 HH11 ARG 16 HH11 ARG 16 30.244 -1.133 -5.112 108 HH12 ARG 16 HH12 ARG 16 28.669 -0.395 -5.162 109 HH21 ARG 16 HH21 ARG 16 27.909 -1.148 -1.877 110 HH22 ARG 16 HH22 ARG 16 27.446 -0.302 -3.318 111 HA PRO 17 HA PRO 17 36.932 2.348 -0.831 112 HB2 PRO 17 HB2 PRO 17 36.429 3.546 -3.560 113 HB3 PRO 17 HB3 PRO 17 37.786 3.840 -2.430 114 HG2 PRO 17 HG2 PRO 17 38.105 2.182 -4.548 115 HG3 PRO 17 HG3 PRO 17 38.772 1.729 -2.946 116 HD2 PRO 17 HD2 PRO 17 36.222 0.774 -4.258 117 HD3 PRO 17 HD3 PRO 17 37.465 -0.148 -3.356 118 HA PRO 18 HA PRO 18 32.734 3.847 -0.081 119 HB2 PRO 18 HB2 PRO 18 33.281 5.873 1.739 120 HB3 PRO 18 HB3 PRO 18 33.157 4.139 2.131 121 HG2 PRO 18 HG2 PRO 18 35.645 5.771 1.596 122 HG3 PRO 18 HG3 PRO 18 35.369 4.548 2.879 123 HD2 PRO 18 HD2 PRO 18 36.726 3.972 0.593 124 HD3 PRO 18 HD3 PRO 18 35.648 2.764 1.360 125 HA PRO 19 HA PRO 19 32.835 7.285 -2.986 126 HB2 PRO 19 HB2 PRO 19 30.181 7.646 -3.423 127 HB3 PRO 19 HB3 PRO 19 31.042 6.165 -3.937 128 HG2 PRO 19 HG2 PRO 19 29.379 6.568 -1.437 129 HG3 PRO 19 HG3 PRO 19 29.315 5.209 -2.599 130 HD2 PRO 19 HD2 PRO 19 30.737 5.110 -0.249 131 HD3 PRO 19 HD3 PRO 19 31.234 4.228 -1.727 132 H SER 20 H SER 20 33.847 8.642 -1.415 133 HA SER 20 HA SER 20 32.195 10.626 0.090 134 HG SER 20 HG SER 20 33.782 8.852 0.954 135 HB2 SER 20 HB2 SER 20 35.211 10.368 -0.283 136 HB3 SER 20 HB3 SER 20 34.392 11.568 0.747 Start of MODEL 3 1 HA ASP 1 HA ASP 1 25.902 8.432 -4.329 2 H1 ASP 1 H1 ASP 1 24.279 8.610 -6.047 3 H2 ASP 1 H2 ASP 1 23.061 8.780 -4.948 4 H3 ASP 1 H3 ASP 1 24.225 9.954 -5.067 5 HB2 ASP 1 HB2 ASP 1 23.551 9.255 -2.656 6 HB3 ASP 1 HB3 ASP 1 24.798 8.215 -1.925 7 H ALA 2 H ALA 2 26.582 6.480 -3.748 8 HA ALA 2 HA ALA 2 24.680 4.189 -3.898 9 HB1 ALA 2 HB3 ALA 2 26.615 2.880 -4.622 10 HB2 ALA 2 HB1 ALA 2 26.379 4.284 -5.671 11 HB3 ALA 2 HB2 ALA 2 27.672 4.303 -4.458 12 H TYR 3 H TYR 3 25.627 6.011 -1.541 13 HA TYR 3 HA TYR 3 27.182 4.486 0.259 14 HD1 TYR 3 HD2 TYR 3 25.746 5.226 3.416 15 HD2 TYR 3 HD1 TYR 3 28.647 7.388 1.053 16 HE1 TYR 3 HE2 TYR 3 27.367 5.165 5.316 17 HE2 TYR 3 HE1 TYR 3 30.249 7.300 2.930 18 HH TYR 3 HH TYR 3 30.711 6.185 4.947 19 HB2 TYR 3 HB2 TYR 3 26.479 7.036 0.200 20 HB3 TYR 3 HB3 TYR 3 25.149 6.505 1.217 21 H ALA 4 H ALA 4 23.637 4.690 -0.130 22 HA ALA 4 HA ALA 4 22.813 3.091 2.048 23 HB1 ALA 4 HB3 ALA 4 20.802 2.664 0.663 24 HB2 ALA 4 HB1 ALA 4 21.271 4.372 0.612 25 HB3 ALA 4 HB2 ALA 4 21.635 3.309 -0.766 26 H GLN 5 H GLN 5 23.790 2.080 -1.258 27 HA GLN 5 HA GLN 5 23.581 -0.739 -0.736 28 HB2 GLN 5 HB2 GLN 5 23.712 0.560 -3.032 29 HB3 GLN 5 HB3 GLN 5 25.458 0.434 -2.796 30 HG2 GLN 5 HG2 GLN 5 24.737 -2.161 -2.269 31 HG3 GLN 5 HG3 GLN 5 23.408 -1.695 -3.330 32 HE21 GLN 5 HE22 GLN 5 26.711 -2.824 -3.215 33 HE22 GLN 5 HE21 GLN 5 26.935 -2.585 -4.963 34 H TRP 6 H TRP 6 26.324 1.582 -0.576 35 HA TRP 6 HA TRP 6 28.425 -0.229 -0.009 36 HD1 TRP 6 HD1 TRP 6 31.001 0.883 -0.716 37 HE1 TRP 6 HE1 TRP 6 33.102 0.902 0.768 38 HE3 TRP 6 HE3 TRP 6 28.962 2.872 3.546 39 HZ2 TRP 6 HZ2 TRP 6 33.827 1.809 3.376 40 HZ3 TRP 6 HZ3 TRP 6 30.393 3.280 5.532 41 HH2 TRP 6 HH2 TRP 6 32.825 2.779 5.456 42 HB2 TRP 6 HB2 TRP 6 28.616 2.257 -0.479 43 HB3 TRP 6 HB3 TRP 6 28.083 2.555 1.162 44 H LEU 7 H LEU 7 26.229 1.381 2.345 45 HA LEU 7 HA LEU 7 27.219 -0.084 4.628 46 HG LEU 7 HG LEU 7 26.424 2.817 4.322 47 HB2 LEU 7 HB2 LEU 7 24.521 1.200 4.042 48 HB3 LEU 7 HB3 LEU 7 24.936 0.474 5.595 49 HD11 LEU 7 HD11 LEU 7 24.144 3.409 5.037 50 HD12 LEU 7 HD12 LEU 7 24.450 2.707 6.643 51 HD13 LEU 7 HD13 LEU 7 25.344 4.144 6.111 52 HD21 LEU 7 HD23 LEU 7 27.418 3.044 6.629 53 HD22 LEU 7 HD21 LEU 7 26.711 1.470 7.046 54 HD23 LEU 7 HD22 LEU 7 27.952 1.598 5.777 55 H LYS 8 H LYS 8 24.550 -0.829 2.358 56 HA LYS 8 HA LYS 8 23.642 -3.180 3.624 57 HB2 LYS 8 HB2 LYS 8 22.811 -1.704 1.538 58 HB3 LYS 8 HB3 LYS 8 23.562 -2.997 0.608 59 HG2 LYS 8 HG2 LYS 8 22.060 -4.631 1.533 60 HG3 LYS 8 HG3 LYS 8 21.598 -3.555 2.864 61 HD2 LYS 8 HD2 LYS 8 20.624 -1.965 1.074 62 HD3 LYS 8 HD3 LYS 8 20.851 -3.292 -0.071 63 HE2 LYS 8 HE2 LYS 8 18.615 -3.517 0.645 64 HE3 LYS 8 HE3 LYS 8 19.495 -4.739 1.578 65 HZ1 LYS 8 HZ3 LYS 8 18.013 -3.480 3.001 66 HZ2 LYS 8 HZ1 LYS 8 19.564 -3.127 3.420 67 HZ3 LYS 8 HZ2 LYS 8 18.686 -2.052 2.542 68 H ASP 9 H ASP 9 26.223 -2.881 1.205 69 HA ASP 9 HA ASP 9 26.854 -5.689 1.015 70 HB2 ASP 9 HB2 ASP 9 28.501 -3.169 0.532 71 HB3 ASP 9 HB3 ASP 9 29.079 -4.798 0.192 72 H GLY 10 H GLY 10 27.406 -3.505 3.641 73 HA2 GLY 10 HA2 GLY 10 28.162 -4.484 5.744 74 HA3 GLY 10 HA3 GLY 10 29.434 -5.344 4.882 75 H GLY 11 H GLY 11 28.853 -1.984 3.963 76 HA2 GLY 11 HA2 GLY 11 30.025 -0.064 4.268 77 HA3 GLY 11 HA3 GLY 11 30.545 -0.653 5.848 78 HA PRO 12 HA PRO 12 34.383 -0.761 3.368 79 HB2 PRO 12 HB2 PRO 12 36.229 -0.790 5.371 80 HB3 PRO 12 HB3 PRO 12 35.295 0.669 4.934 81 HG2 PRO 12 HG2 PRO 12 34.796 -1.249 7.215 82 HG3 PRO 12 HG3 PRO 12 34.732 0.541 7.220 83 HD2 PRO 12 HD2 PRO 12 32.517 -1.126 6.959 84 HD3 PRO 12 HD3 PRO 12 32.576 0.551 6.352 85 H SER 13 H SER 13 33.036 -3.190 5.387 86 HA SER 13 HA SER 13 35.084 -5.082 5.646 87 HG SER 13 HG SER 13 31.875 -4.348 6.682 88 HB2 SER 13 HB2 SER 13 32.181 -5.848 5.213 89 HB3 SER 13 HB3 SER 13 33.406 -6.657 6.202 90 H SER 14 H SER 14 32.870 -4.576 2.899 91 HA SER 14 HA SER 14 33.581 -6.902 1.416 92 HG SER 14 HG SER 14 30.694 -5.996 1.556 93 HB2 SER 14 HB2 SER 14 32.530 -4.357 0.189 94 HB3 SER 14 HB3 SER 14 32.095 -6.031 -0.192 95 H GLY 15 H GLY 15 35.557 -4.230 2.050 96 HA2 GLY 15 HA2 GLY 15 37.584 -3.620 1.137 97 HA3 GLY 15 HA3 GLY 15 37.385 -4.838 -0.122 98 H ARG 16 H ARG 16 34.738 -2.681 0.042 99 HA ARG 16 HA ARG 16 35.563 -1.372 -2.488 100 HE ARG 16 HE ARG 16 31.079 1.168 -3.634 101 HB2 ARG 16 HB2 ARG 16 33.431 -2.586 -2.445 102 HB3 ARG 16 HB3 ARG 16 32.871 -1.609 -1.079 103 HG2 ARG 16 HG2 ARG 16 32.934 0.419 -2.493 104 HG3 ARG 16 HG3 ARG 16 33.495 -0.538 -3.872 105 HD2 ARG 16 HD2 ARG 16 31.424 -1.388 -4.297 106 HD3 ARG 16 HD3 ARG 16 31.041 -1.591 -2.582 107 HH11 ARG 16 HH11 ARG 16 28.960 -1.548 -2.603 108 HH12 ARG 16 HH12 ARG 16 27.620 -0.529 -2.455 109 HH21 ARG 16 HH21 ARG 16 29.275 2.412 -3.336 110 HH22 ARG 16 HH22 ARG 16 27.792 1.734 -2.735 111 HA PRO 17 HA PRO 17 36.258 2.387 -0.134 112 HB2 PRO 17 HB2 PRO 17 36.427 4.248 -2.163 113 HB3 PRO 17 HB3 PRO 17 37.726 3.092 -1.743 114 HG2 PRO 17 HG2 PRO 17 35.664 2.870 -3.943 115 HG3 PRO 17 HG3 PRO 17 37.420 2.520 -4.018 116 HD2 PRO 17 HD2 PRO 17 35.514 0.578 -3.693 117 HD3 PRO 17 HD3 PRO 17 37.145 0.437 -2.976 118 HA PRO 18 HA PRO 18 32.087 3.940 0.235 119 HB2 PRO 18 HB2 PRO 18 32.495 6.275 1.670 120 HB3 PRO 18 HB3 PRO 18 32.509 4.633 2.368 121 HG2 PRO 18 HG2 PRO 18 34.862 6.325 1.502 122 HG3 PRO 18 HG3 PRO 18 34.685 5.343 2.992 123 HD2 PRO 18 HD2 PRO 18 36.069 4.456 0.818 124 HD3 PRO 18 HD3 PRO 18 35.101 3.338 1.827 125 HA PRO 19 HA PRO 19 31.977 6.980 -3.120 126 HB2 PRO 19 HB2 PRO 19 29.296 7.208 -3.474 127 HB3 PRO 19 HB3 PRO 19 30.180 5.706 -3.890 128 HG2 PRO 19 HG2 PRO 19 28.581 6.297 -1.385 129 HG3 PRO 19 HG3 PRO 19 28.570 4.817 -2.396 130 HD2 PRO 19 HD2 PRO 19 30.048 5.090 -0.077 131 HD3 PRO 19 HD3 PRO 19 30.505 4.003 -1.424 132 H SER 20 H SER 20 32.065 9.178 -3.119 133 HA SER 20 HA SER 20 30.434 10.936 -1.486 134 HG SER 20 HG SER 20 32.619 11.125 1.116 135 HB2 SER 20 HB2 SER 20 33.359 10.401 -0.973 136 HB3 SER 20 HB3 SER 20 32.800 12.086 -0.952 Start of MODEL 4 1 HA ASP 1 HA ASP 1 22.723 7.589 -3.551 2 H1 ASP 1 H1 ASP 1 24.609 8.733 -4.415 3 H2 ASP 1 H2 ASP 1 24.160 8.422 -5.973 4 H3 ASP 1 H3 ASP 1 23.240 9.413 -5.030 5 HB2 ASP 1 HB2 ASP 1 21.317 8.335 -5.535 6 HB3 ASP 1 HB3 ASP 1 21.934 6.926 -6.401 7 H ALA 2 H ALA 2 24.741 6.617 -2.862 8 HA ALA 2 HA ALA 2 25.145 3.941 -4.014 9 HB1 ALA 2 HB3 ALA 2 27.603 4.274 -4.290 10 HB2 ALA 2 HB1 ALA 2 26.639 5.237 -5.418 11 HB3 ALA 2 HB2 ALA 2 27.378 6.018 -4.008 12 H TYR 3 H TYR 3 26.154 6.304 -1.480 13 HA TYR 3 HA TYR 3 27.444 4.557 0.230 14 HD1 TYR 3 HD2 TYR 3 26.472 5.095 3.378 15 HD2 TYR 3 HD1 TYR 3 29.142 7.618 1.098 16 HE1 TYR 3 HE2 TYR 3 28.163 4.982 5.198 17 HE2 TYR 3 HE1 TYR 3 30.797 7.518 2.921 18 HH TYR 3 HH TYR 3 31.001 7.006 5.248 19 HB2 TYR 3 HB2 TYR 3 27.003 7.170 0.259 20 HB3 TYR 3 HB3 TYR 3 25.715 6.742 1.367 21 H ALA 4 H ALA 4 23.942 5.018 -0.106 22 HA ALA 4 HA ALA 4 22.986 3.486 2.071 23 HB1 ALA 4 HB3 ALA 4 20.978 3.206 0.617 24 HB2 ALA 4 HB1 ALA 4 21.557 4.881 0.643 25 HB3 ALA 4 HB2 ALA 4 21.892 3.848 -0.763 26 H GLN 5 H GLN 5 23.971 2.413 -1.225 27 HA GLN 5 HA GLN 5 23.507 -0.387 -0.677 28 HB2 GLN 5 HB2 GLN 5 23.694 0.874 -2.995 29 HB3 GLN 5 HB3 GLN 5 25.425 0.574 -2.791 30 HG2 GLN 5 HG2 GLN 5 24.597 -1.920 -2.270 31 HG3 GLN 5 HG3 GLN 5 23.143 -1.395 -3.120 32 HE21 GLN 5 HE22 GLN 5 24.098 0.111 -5.333 33 HE22 GLN 5 HE21 GLN 5 25.200 -0.980 -6.191 34 H TRP 6 H TRP 6 26.387 1.757 -0.662 35 HA TRP 6 HA TRP 6 28.420 -0.044 -0.090 36 HD1 TRP 6 HD1 TRP 6 30.978 1.338 -0.887 37 HE1 TRP 6 HE1 TRP 6 33.103 1.068 0.520 38 HE3 TRP 6 HE3 TRP 6 29.082 2.697 3.663 39 HZ2 TRP 6 HZ2 TRP 6 33.913 1.551 3.249 40 HZ3 TRP 6 HZ3 TRP 6 30.580 2.888 5.636 41 HH2 TRP 6 HH2 TRP 6 32.990 2.331 5.440 42 HB2 TRP 6 HB2 TRP 6 28.616 2.446 -0.444 43 HB3 TRP 6 HB3 TRP 6 28.135 2.674 1.236 44 H LEU 7 H LEU 7 26.329 1.504 2.384 45 HA LEU 7 HA LEU 7 27.304 -0.118 4.571 46 HG LEU 7 HG LEU 7 26.878 2.796 4.389 47 HB2 LEU 7 HB2 LEU 7 24.724 1.441 4.171 48 HB3 LEU 7 HB3 LEU 7 25.151 0.644 5.685 49 HD11 LEU 7 HD11 LEU 7 24.699 3.725 4.996 50 HD12 LEU 7 HD12 LEU 7 24.821 3.016 6.623 51 HD13 LEU 7 HD13 LEU 7 25.941 4.300 6.121 52 HD21 LEU 7 HD23 LEU 7 27.894 2.955 6.647 53 HD22 LEU 7 HD21 LEU 7 26.881 1.610 7.205 54 HD23 LEU 7 HD22 LEU 7 28.129 1.344 5.968 55 H LYS 8 H LYS 8 24.543 -0.637 2.315 56 HA LYS 8 HA LYS 8 23.431 -2.901 3.645 57 HB2 LYS 8 HB2 LYS 8 23.447 -1.979 0.760 58 HB3 LYS 8 HB3 LYS 8 22.770 -3.529 1.144 59 HG2 LYS 8 HG2 LYS 8 21.775 -1.289 2.857 60 HG3 LYS 8 HG3 LYS 8 21.393 -1.172 1.140 61 HD2 LYS 8 HD2 LYS 8 19.590 -2.298 2.263 62 HD3 LYS 8 HD3 LYS 8 20.373 -3.419 1.158 63 HE2 LYS 8 HE2 LYS 8 21.496 -3.466 3.912 64 HE3 LYS 8 HE3 LYS 8 19.774 -3.832 3.865 65 HZ1 LYS 8 HZ3 LYS 8 21.062 -5.836 3.639 66 HZ2 LYS 8 HZ1 LYS 8 20.258 -5.569 2.233 67 HZ3 LYS 8 HZ2 LYS 8 21.879 -5.263 2.343 68 H ASP 9 H ASP 9 26.181 -2.810 1.411 69 HA ASP 9 HA ASP 9 26.524 -5.717 1.399 70 HB2 ASP 9 HB2 ASP 9 28.501 -3.502 0.748 71 HB3 ASP 9 HB3 ASP 9 28.687 -5.216 0.358 72 H GLY 10 H GLY 10 27.125 -3.400 3.843 73 HA2 GLY 10 HA2 GLY 10 27.937 -4.014 5.996 74 HA3 GLY 10 HA3 GLY 10 29.034 -5.184 5.281 75 H GLY 11 H GLY 11 29.088 -2.209 3.526 76 HA2 GLY 11 HA2 GLY 11 30.616 -0.570 3.289 77 HA3 GLY 11 HA3 GLY 11 30.628 -0.483 5.042 78 HA PRO 12 HA PRO 12 35.002 -1.307 4.447 79 HB2 PRO 12 HB2 PRO 12 34.924 -2.330 7.279 80 HB3 PRO 12 HB3 PRO 12 36.048 -1.155 6.530 81 HG2 PRO 12 HG2 PRO 12 34.033 -0.313 8.141 82 HG3 PRO 12 HG3 PRO 12 34.429 0.583 6.638 83 HD2 PRO 12 HD2 PRO 12 32.219 -1.429 7.103 84 HD3 PRO 12 HD3 PRO 12 32.156 0.149 6.273 85 H SER 13 H SER 13 32.859 -3.878 5.699 86 HA SER 13 HA SER 13 34.662 -6.062 5.731 87 HG SER 13 HG SER 13 31.139 -6.529 4.239 88 HB2 SER 13 HB2 SER 13 32.626 -7.453 5.511 89 HB3 SER 13 HB3 SER 13 32.407 -6.145 6.688 90 H SER 14 H SER 14 32.784 -4.702 3.089 91 HA SER 14 HA SER 14 33.465 -6.766 1.157 92 HG SER 14 HG SER 14 30.984 -4.296 1.905 93 HB2 SER 14 HB2 SER 14 32.445 -4.049 0.385 94 HB3 SER 14 HB3 SER 14 32.049 -5.631 -0.303 95 H GLY 15 H GLY 15 35.110 -3.939 2.221 96 HA2 GLY 15 HA2 GLY 15 36.986 -2.835 1.533 97 HA3 GLY 15 HA3 GLY 15 37.268 -4.130 0.372 98 H ARG 16 H ARG 16 34.377 -3.105 -0.634 99 HA ARG 16 HA ARG 16 35.171 -1.647 -2.888 100 HE ARG 16 HE ARG 16 28.813 -2.214 -1.195 101 HB2 ARG 16 HB2 ARG 16 32.805 -1.058 -3.197 102 HB3 ARG 16 HB3 ARG 16 33.102 -2.758 -2.859 103 HG2 ARG 16 HG2 ARG 16 32.512 -1.987 -0.342 104 HG3 ARG 16 HG3 ARG 16 31.691 -0.692 -1.181 105 HD2 ARG 16 HD2 ARG 16 31.094 -3.379 -2.326 106 HD3 ARG 16 HD3 ARG 16 30.704 -3.240 -0.624 107 HH11 ARG 16 HH11 ARG 16 30.824 -1.680 -3.995 108 HH12 ARG 16 HH12 ARG 16 29.438 -1.110 -4.907 109 HH21 ARG 16 HH21 ARG 16 27.332 -1.831 -2.325 110 HH22 ARG 16 HH22 ARG 16 27.367 -1.297 -3.953 111 HA PRO 17 HA PRO 17 36.450 2.235 -1.126 112 HB2 PRO 17 HB2 PRO 17 35.729 3.298 -3.863 113 HB3 PRO 17 HB3 PRO 17 37.180 3.633 -2.867 114 HG2 PRO 17 HG2 PRO 17 37.302 1.849 -4.902 115 HG3 PRO 17 HG3 PRO 17 38.090 1.477 -3.334 116 HD2 PRO 17 HD2 PRO 17 35.437 0.485 -4.386 117 HD3 PRO 17 HD3 PRO 17 36.729 -0.399 -3.512 118 HA PRO 18 HA PRO 18 32.363 3.876 -0.096 119 HB2 PRO 18 HB2 PRO 18 33.114 5.970 1.568 120 HB3 PRO 18 HB3 PRO 18 32.964 4.266 2.063 121 HG2 PRO 18 HG2 PRO 18 35.453 5.777 1.261 122 HG3 PRO 18 HG3 PRO 18 35.238 4.620 2.614 123 HD2 PRO 18 HD2 PRO 18 36.397 3.906 0.255 124 HD3 PRO 18 HD3 PRO 18 35.358 2.764 1.163 125 HA PRO 19 HA PRO 19 32.276 7.245 -3.090 126 HB2 PRO 19 HB2 PRO 19 29.618 7.854 -3.049 127 HB3 PRO 19 HB3 PRO 19 30.255 6.345 -3.773 128 HG2 PRO 19 HG2 PRO 19 29.012 6.724 -1.047 129 HG3 PRO 19 HG3 PRO 19 28.738 5.403 -2.222 130 HD2 PRO 19 HD2 PRO 19 30.452 5.210 -0.073 131 HD3 PRO 19 HD3 PRO 19 30.661 4.288 -1.593 132 H SER 20 H SER 20 33.011 9.276 -2.677 133 HA SER 20 HA SER 20 31.787 10.992 -0.609 134 HG SER 20 HG SER 20 33.000 9.164 0.379 135 HB2 SER 20 HB2 SER 20 34.778 10.439 -0.868 136 HB3 SER 20 HB3 SER 20 34.042 11.708 0.142 Start of MODEL 5 1 HA ASP 1 HA ASP 1 24.654 8.218 -4.665 2 H1 ASP 1 H1 ASP 1 26.457 9.093 -3.397 3 H2 ASP 1 H2 ASP 1 27.542 8.756 -4.587 4 H3 ASP 1 H3 ASP 1 26.372 9.897 -4.857 5 HB2 ASP 1 HB2 ASP 1 26.764 8.100 -6.835 6 HB3 ASP 1 HB3 ASP 1 25.243 7.189 -6.935 7 H ALA 2 H ALA 2 24.188 5.887 -4.949 8 HA ALA 2 HA ALA 2 24.215 3.783 -4.204 9 HB1 ALA 2 HB3 ALA 2 26.079 2.430 -4.893 10 HB2 ALA 2 HB1 ALA 2 25.804 3.704 -6.094 11 HB3 ALA 2 HB2 ALA 2 27.153 3.843 -4.944 12 H TYR 3 H TYR 3 25.693 5.922 -2.193 13 HA TYR 3 HA TYR 3 27.170 4.495 -0.368 14 HD1 TYR 3 HD2 TYR 3 26.557 5.158 2.714 15 HD2 TYR 3 HD1 TYR 3 28.442 7.970 0.036 16 HE1 TYR 3 HE2 TYR 3 28.454 5.419 4.301 17 HE2 TYR 3 HE1 TYR 3 30.309 8.238 1.612 18 HH TYR 3 HH TYR 3 31.097 7.720 3.719 19 HB2 TYR 3 HB2 TYR 3 26.425 7.053 -0.581 20 HB3 TYR 3 HB3 TYR 3 25.310 6.608 0.695 21 H ALA 4 H ALA 4 23.598 4.700 -0.390 22 HA ALA 4 HA ALA 4 23.073 3.352 2.050 23 HB1 ALA 4 HB3 ALA 4 20.886 2.818 1.008 24 HB2 ALA 4 HB1 ALA 4 21.343 4.512 0.753 25 HB3 ALA 4 HB2 ALA 4 21.508 3.336 -0.573 26 H GLN 5 H GLN 5 23.720 2.012 -1.217 27 HA GLN 5 HA GLN 5 23.448 -0.744 -0.425 28 HB2 GLN 5 HB2 GLN 5 23.474 0.447 -2.842 29 HB3 GLN 5 HB3 GLN 5 25.197 0.091 -2.736 30 HG2 GLN 5 HG2 GLN 5 24.239 -1.782 -3.829 31 HG3 GLN 5 HG3 GLN 5 24.497 -2.344 -2.174 32 HE21 GLN 5 HE22 GLN 5 22.615 -3.054 -0.988 33 HE22 GLN 5 HE21 GLN 5 21.002 -2.837 -1.707 34 H TRP 6 H TRP 6 26.230 1.498 -0.746 35 HA TRP 6 HA TRP 6 28.335 -0.242 -0.075 36 HD1 TRP 6 HD1 TRP 6 30.931 1.060 -1.070 37 HE1 TRP 6 HE1 TRP 6 33.073 0.987 0.368 38 HE3 TRP 6 HE3 TRP 6 28.986 2.767 3.333 39 HZ2 TRP 6 HZ2 TRP 6 33.826 1.620 3.067 40 HZ3 TRP 6 HZ3 TRP 6 30.458 3.109 5.308 41 HH2 TRP 6 HH2 TRP 6 32.872 2.559 5.181 42 HB2 TRP 6 HB2 TRP 6 28.559 2.144 -0.759 43 HB3 TRP 6 HB3 TRP 6 28.089 2.626 0.867 44 H LEU 7 H LEU 7 26.311 1.599 2.241 45 HA LEU 7 HA LEU 7 27.326 0.305 4.605 46 HG LEU 7 HG LEU 7 26.761 3.126 3.951 47 HB2 LEU 7 HB2 LEU 7 24.658 1.653 4.029 48 HB3 LEU 7 HB3 LEU 7 25.172 1.143 5.635 49 HD11 LEU 7 HD11 LEU 7 24.536 4.044 4.376 50 HD12 LEU 7 HD12 LEU 7 24.685 3.667 6.108 51 HD13 LEU 7 HD13 LEU 7 25.747 4.880 5.361 52 HD21 LEU 7 HD23 LEU 7 27.780 3.740 6.105 53 HD22 LEU 7 HD21 LEU 7 26.802 2.518 6.940 54 HD23 LEU 7 HD22 LEU 7 28.049 2.026 5.776 55 H LYS 8 H LYS 8 24.472 -0.505 2.579 56 HA LYS 8 HA LYS 8 23.371 -2.569 4.101 57 HB2 LYS 8 HB2 LYS 8 22.606 -1.452 1.850 58 HB3 LYS 8 HB3 LYS 8 23.566 -2.704 1.075 59 HG2 LYS 8 HG2 LYS 8 21.357 -3.469 1.059 60 HG3 LYS 8 HG3 LYS 8 22.137 -4.419 2.326 61 HD2 LYS 8 HD2 LYS 8 21.047 -3.187 4.061 62 HD3 LYS 8 HD3 LYS 8 20.585 -1.868 2.962 63 HE2 LYS 8 HE2 LYS 8 18.970 -3.170 1.834 64 HE3 LYS 8 HE3 LYS 8 19.601 -4.690 2.479 65 HZ1 LYS 8 HZ3 LYS 8 17.557 -3.984 3.587 66 HZ2 LYS 8 HZ1 LYS 8 18.809 -4.069 4.648 67 HZ3 LYS 8 HZ2 LYS 8 18.282 -2.605 4.115 68 H ASP 9 H ASP 9 26.001 -2.895 1.743 69 HA ASP 9 HA ASP 9 26.418 -5.743 2.181 70 HB2 ASP 9 HB2 ASP 9 27.993 -3.561 0.778 71 HB3 ASP 9 HB3 ASP 9 28.527 -5.234 0.844 72 H GLY 10 H GLY 10 26.892 -3.485 4.496 73 HA2 GLY 10 HA2 GLY 10 27.987 -3.840 6.533 74 HA3 GLY 10 HA3 GLY 10 29.031 -5.055 5.799 75 H GLY 11 H GLY 11 28.745 -2.054 4.072 76 HA2 GLY 11 HA2 GLY 11 30.179 -0.374 3.568 77 HA3 GLY 11 HA3 GLY 11 30.462 -0.274 5.292 78 HA PRO 12 HA PRO 12 34.738 -1.136 4.073 79 HB2 PRO 12 HB2 PRO 12 34.990 -2.033 6.937 80 HB3 PRO 12 HB3 PRO 12 36.034 -0.916 6.006 81 HG2 PRO 12 HG2 PRO 12 34.258 0.034 7.828 82 HG3 PRO 12 HG3 PRO 12 34.476 0.867 6.253 83 HD2 PRO 12 HD2 PRO 12 32.308 -1.086 7.063 84 HD3 PRO 12 HD3 PRO 12 32.163 0.474 6.207 85 H SER 13 H SER 13 32.682 -3.467 5.768 86 HA SER 13 HA SER 13 34.214 -5.817 5.633 87 HG SER 13 HG SER 13 31.382 -4.490 6.883 88 HB2 SER 13 HB2 SER 13 31.221 -5.753 5.134 89 HB3 SER 13 HB3 SER 13 32.185 -7.022 5.903 90 H SER 14 H SER 14 32.192 -4.316 3.138 91 HA SER 14 HA SER 14 32.640 -6.390 1.152 92 HG SER 14 HG SER 14 31.624 -3.030 1.832 93 HB2 SER 14 HB2 SER 14 31.816 -4.536 -0.454 94 HB3 SER 14 HB3 SER 14 30.719 -5.340 0.635 95 H GLY 15 H GLY 15 34.872 -4.077 2.285 96 HA2 GLY 15 HA2 GLY 15 36.936 -3.484 1.528 97 HA3 GLY 15 HA3 GLY 15 36.824 -4.867 0.440 98 H ARG 16 H ARG 16 34.490 -2.357 -0.024 99 HA ARG 16 HA ARG 16 35.836 -1.566 -2.551 100 HE ARG 16 HE ARG 16 30.057 -2.450 -0.752 101 HB2 ARG 16 HB2 ARG 16 33.578 -1.013 -3.388 102 HB3 ARG 16 HB3 ARG 16 33.853 -2.709 -3.002 103 HG2 ARG 16 HG2 ARG 16 32.632 -2.261 -0.768 104 HG3 ARG 16 HG3 ARG 16 32.174 -0.702 -1.470 105 HD2 ARG 16 HD2 ARG 16 31.248 -1.950 -3.446 106 HD3 ARG 16 HD3 ARG 16 31.584 -3.469 -2.600 107 HH11 ARG 16 HH11 ARG 16 29.493 -2.332 -4.229 108 HH12 ARG 16 HH12 ARG 16 27.758 -2.224 -4.034 109 HH21 ARG 16 HH21 ARG 16 27.771 -2.299 -0.612 110 HH22 ARG 16 HH22 ARG 16 26.873 -2.688 -1.960 111 HA PRO 17 HA PRO 17 36.594 2.492 -0.958 112 HB2 PRO 17 HB2 PRO 17 36.033 3.390 -3.789 113 HB3 PRO 17 HB3 PRO 17 37.372 3.861 -2.698 114 HG2 PRO 17 HG2 PRO 17 37.774 2.014 -4.636 115 HG3 PRO 17 HG3 PRO 17 38.454 1.755 -2.996 116 HD2 PRO 17 HD2 PRO 17 35.957 0.556 -4.208 117 HD3 PRO 17 HD3 PRO 17 37.235 -0.212 -3.213 118 HA PRO 18 HA PRO 18 32.325 3.824 -0.329 119 HB2 PRO 18 HB2 PRO 18 32.776 5.999 1.361 120 HB3 PRO 18 HB3 PRO 18 32.642 4.298 1.860 121 HG2 PRO 18 HG2 PRO 18 35.135 5.912 1.327 122 HG3 PRO 18 HG3 PRO 18 34.827 4.738 2.648 123 HD2 PRO 18 HD2 PRO 18 36.277 4.096 0.436 124 HD3 PRO 18 HD3 PRO 18 35.194 2.900 1.216 125 HA PRO 19 HA PRO 19 32.236 7.026 -3.453 126 HB2 PRO 19 HB2 PRO 19 29.553 7.384 -3.708 127 HB3 PRO 19 HB3 PRO 19 30.387 5.893 -4.236 128 HG2 PRO 19 HG2 PRO 19 28.858 6.357 -1.665 129 HG3 PRO 19 HG3 PRO 19 28.800 4.935 -2.750 130 HD2 PRO 19 HD2 PRO 19 30.314 5.029 -0.465 131 HD3 PRO 19 HD3 PRO 19 30.764 4.065 -1.907 132 H SER 20 H SER 20 33.198 8.791 -2.584 133 HA SER 20 HA SER 20 31.746 10.643 -0.747 134 HG SER 20 HG SER 20 33.815 9.028 -0.294 135 HB2 SER 20 HB2 SER 20 34.600 10.710 -1.811 136 HB3 SER 20 HB3 SER 20 33.898 11.827 -0.617 Start of MODEL 6 1 HA ASP 1 HA ASP 1 21.656 6.674 -3.534 2 H1 ASP 1 H1 ASP 1 22.818 7.995 -2.005 3 H2 ASP 1 H2 ASP 1 23.945 8.466 -3.131 4 H3 ASP 1 H3 ASP 1 22.391 8.952 -3.301 5 HB2 ASP 1 HB2 ASP 1 23.552 7.771 -5.633 6 HB3 ASP 1 HB3 ASP 1 22.354 6.487 -5.887 7 H ALA 2 H ALA 2 24.884 6.292 -4.982 8 HA ALA 2 HA ALA 2 25.026 3.626 -4.489 9 HB1 ALA 2 HB3 ALA 2 27.362 3.784 -5.120 10 HB2 ALA 2 HB1 ALA 2 26.446 4.987 -6.042 11 HB3 ALA 2 HB2 ALA 2 27.429 5.494 -4.650 12 H TYR 3 H TYR 3 26.110 6.079 -2.176 13 HA TYR 3 HA TYR 3 27.581 4.449 -0.399 14 HD1 TYR 3 HD1 TYR 3 26.352 5.656 2.839 15 HD2 TYR 3 HD2 TYR 3 29.470 7.076 0.215 16 HE1 TYR 3 HE1 TYR 3 27.988 5.669 4.735 17 HE2 TYR 3 HE2 TYR 3 31.077 7.044 2.068 18 HH TYR 3 HH TYR 3 31.328 6.770 4.345 19 HB2 TYR 3 HB2 TYR 3 27.240 7.041 -0.542 20 HB3 TYR 3 HB3 TYR 3 25.879 6.769 0.534 21 H ALA 4 H ALA 4 24.048 4.794 -0.750 22 HA ALA 4 HA ALA 4 23.297 3.637 1.780 23 HB1 ALA 4 HB3 ALA 4 21.114 3.343 0.695 24 HB2 ALA 4 HB1 ALA 4 21.762 4.950 0.318 25 HB3 ALA 4 HB2 ALA 4 21.824 3.656 -0.899 26 H GLN 5 H GLN 5 23.984 2.297 -1.444 27 HA GLN 5 HA GLN 5 23.502 -0.463 -0.716 28 HB2 GLN 5 HB2 GLN 5 23.383 0.627 -3.023 29 HB3 GLN 5 HB3 GLN 5 25.142 0.576 -3.068 30 HG2 GLN 5 HG2 GLN 5 23.725 -1.998 -2.392 31 HG3 GLN 5 HG3 GLN 5 23.478 -1.364 -4.010 32 HE21 GLN 5 HE22 GLN 5 24.968 -1.996 -5.565 33 HE22 GLN 5 HE21 GLN 5 26.444 -2.815 -5.068 34 H TRP 6 H TRP 6 26.444 1.587 -0.979 35 HA TRP 6 HA TRP 6 28.403 -0.319 -0.350 36 HD1 TRP 6 HD1 TRP 6 31.089 0.664 -1.236 37 HE1 TRP 6 HE1 TRP 6 33.260 0.677 0.173 38 HE3 TRP 6 HE3 TRP 6 29.301 2.915 3.009 39 HZ2 TRP 6 HZ2 TRP 6 34.044 1.398 2.816 40 HZ3 TRP 6 HZ3 TRP 6 30.804 3.282 4.950 41 HH2 TRP 6 HH2 TRP 6 33.168 2.531 4.870 42 HB2 TRP 6 HB2 TRP 6 28.789 2.073 -0.994 43 HB3 TRP 6 HB3 TRP 6 28.333 2.555 0.634 44 H LEU 7 H LEU 7 26.543 1.631 2.060 45 HA LEU 7 HA LEU 7 27.570 0.220 4.357 46 HG LEU 7 HG LEU 7 27.041 3.165 3.894 47 HB2 LEU 7 HB2 LEU 7 24.961 1.722 3.907 48 HB3 LEU 7 HB3 LEU 7 25.464 1.088 5.471 49 HD11 LEU 7 HD11 LEU 7 24.882 4.058 4.614 50 HD12 LEU 7 HD12 LEU 7 25.131 3.429 6.259 51 HD13 LEU 7 HD13 LEU 7 26.157 4.731 5.642 52 HD21 LEU 7 HD23 LEU 7 28.232 3.518 6.037 53 HD22 LEU 7 HD21 LEU 7 27.319 2.187 6.775 54 HD23 LEU 7 HD22 LEU 7 28.470 1.870 5.459 55 H LYS 8 H LYS 8 24.844 -0.529 2.200 56 HA LYS 8 HA LYS 8 23.558 -2.442 3.838 57 HB2 LYS 8 HB2 LYS 8 22.838 -1.247 1.642 58 HB3 LYS 8 HB3 LYS 8 23.593 -2.600 0.798 59 HG2 LYS 8 HG2 LYS 8 22.009 -4.143 1.635 60 HG3 LYS 8 HG3 LYS 8 21.597 -3.110 3.016 61 HD2 LYS 8 HD2 LYS 8 20.596 -1.434 1.381 62 HD3 LYS 8 HD3 LYS 8 20.864 -2.621 0.098 63 HE2 LYS 8 HE2 LYS 8 18.583 -2.836 0.803 64 HE3 LYS 8 HE3 LYS 8 19.455 -4.255 1.405 65 HZ1 LYS 8 HZ3 LYS 8 18.046 -3.321 3.123 66 HZ2 LYS 8 HZ1 LYS 8 19.620 -3.119 3.558 67 HZ3 LYS 8 HZ2 LYS 8 18.758 -1.844 2.986 68 H ASP 9 H ASP 9 26.258 -2.889 1.619 69 HA ASP 9 HA ASP 9 26.461 -5.775 2.141 70 HB2 ASP 9 HB2 ASP 9 27.971 -3.739 0.504 71 HB3 ASP 9 HB3 ASP 9 28.747 -5.267 0.901 72 H GLY 10 H GLY 10 27.028 -3.338 4.264 73 HA2 GLY 10 HA2 GLY 10 28.008 -3.670 6.376 74 HA3 GLY 10 HA3 GLY 10 29.089 -4.895 5.726 75 H GLY 11 H GLY 11 28.903 -2.000 3.840 76 HA2 GLY 11 HA2 GLY 11 30.253 -0.247 3.423 77 HA3 GLY 11 HA3 GLY 11 30.431 -0.098 5.160 78 HA PRO 12 HA PRO 12 34.809 -0.935 4.280 79 HB2 PRO 12 HB2 PRO 12 34.836 -1.875 7.144 80 HB3 PRO 12 HB3 PRO 12 35.963 -0.762 6.310 81 HG2 PRO 12 HG2 PRO 12 34.070 0.207 7.996 82 HG3 PRO 12 HG3 PRO 12 34.403 1.036 6.440 83 HD2 PRO 12 HD2 PRO 12 32.167 -0.900 7.093 84 HD3 PRO 12 HD3 PRO 12 32.093 0.665 6.230 85 H SER 13 H SER 13 32.626 -3.272 5.788 86 HA SER 13 HA SER 13 34.205 -5.602 5.817 87 HG SER 13 HG SER 13 31.332 -4.282 6.902 88 HB2 SER 13 HB2 SER 13 31.238 -5.594 5.173 89 HB3 SER 13 HB3 SER 13 32.180 -6.836 6.012 90 H SER 14 H SER 14 32.307 -4.194 3.111 91 HA SER 14 HA SER 14 32.637 -6.340 1.286 92 HG SER 14 HG SER 14 30.322 -3.229 1.129 93 HB2 SER 14 HB2 SER 14 32.305 -3.634 0.151 94 HB3 SER 14 HB3 SER 14 31.280 -5.066 -0.005 95 H GLY 15 H GLY 15 34.945 -4.004 2.368 96 HA2 GLY 15 HA2 GLY 15 37.018 -3.377 1.664 97 HA3 GLY 15 HA3 GLY 15 37.014 -4.784 0.603 98 H ARG 16 H ARG 16 34.451 -2.787 -0.241 99 HA ARG 16 HA ARG 16 35.722 -1.934 -2.727 100 HE ARG 16 HE ARG 16 31.399 0.763 -4.626 101 HB2 ARG 16 HB2 ARG 16 33.523 -2.820 -2.851 102 HB3 ARG 16 HB3 ARG 16 32.916 -1.750 -1.581 103 HG2 ARG 16 HG2 ARG 16 32.993 0.171 -3.003 104 HG3 ARG 16 HG3 ARG 16 33.880 -0.696 -4.273 105 HD2 ARG 16 HD2 ARG 16 32.035 -1.848 -5.011 106 HD3 ARG 16 HD3 ARG 16 31.288 -1.896 -3.405 107 HH11 ARG 16 HH11 ARG 16 29.424 -2.101 -4.241 108 HH12 ARG 16 HH12 ARG 16 27.916 -1.250 -4.280 109 HH21 ARG 16 HH21 ARG 16 29.442 1.841 -4.895 110 HH22 ARG 16 HH22 ARG 16 27.953 0.937 -4.835 111 HA PRO 17 HA PRO 17 37.056 2.151 -1.443 112 HB2 PRO 17 HB2 PRO 17 36.046 2.821 -4.218 113 HB3 PRO 17 HB3 PRO 17 37.509 3.425 -3.378 114 HG2 PRO 17 HG2 PRO 17 37.708 1.388 -5.143 115 HG3 PRO 17 HG3 PRO 17 38.589 1.299 -3.583 116 HD2 PRO 17 HD2 PRO 17 36.019 -0.053 -4.380 117 HD3 PRO 17 HD3 PRO 17 37.378 -0.682 -3.402 118 HA PRO 18 HA PRO 18 32.968 3.715 -0.171 119 HB2 PRO 18 HB2 PRO 18 33.826 5.778 1.461 120 HB3 PRO 18 HB3 PRO 18 33.730 4.070 1.951 121 HG2 PRO 18 HG2 PRO 18 36.148 5.607 1.003 122 HG3 PRO 18 HG3 PRO 18 36.027 4.449 2.365 123 HD2 PRO 18 HD2 PRO 18 37.030 3.757 -0.070 124 HD3 PRO 18 HD3 PRO 18 36.082 2.597 0.912 125 HA PRO 19 HA PRO 19 33.063 7.141 -3.184 126 HB2 PRO 19 HB2 PRO 19 30.376 7.491 -3.535 127 HB3 PRO 19 HB3 PRO 19 31.278 6.116 -4.240 128 HG2 PRO 19 HG2 PRO 19 29.542 6.144 -1.777 129 HG3 PRO 19 HG3 PRO 19 29.661 4.893 -3.043 130 HD2 PRO 19 HD2 PRO 19 30.988 4.814 -0.582 131 HD3 PRO 19 HD3 PRO 19 31.522 3.930 -2.043 132 H SER 20 H SER 20 32.576 9.457 -3.105 133 HA SER 20 HA SER 20 31.314 10.598 -0.741 134 HG SER 20 HG SER 20 35.269 11.451 -1.195 135 HB2 SER 20 HB2 SER 20 33.253 12.113 -0.379 136 HB3 SER 20 HB3 SER 20 33.570 10.423 0.060 Start of MODEL 7 1 HA ASP 1 HA ASP 1 22.254 7.744 -2.444 2 H1 ASP 1 H1 ASP 1 23.314 8.437 -4.440 3 H2 ASP 1 H2 ASP 1 22.325 7.481 -5.368 4 H3 ASP 1 H3 ASP 1 21.708 8.747 -4.526 5 HB2 ASP 1 HB2 ASP 1 20.070 7.454 -3.923 6 HB3 ASP 1 HB3 ASP 1 20.537 5.752 -3.889 7 H ALA 2 H ALA 2 24.721 6.935 -4.005 8 HA ALA 2 HA ALA 2 24.814 4.075 -4.089 9 HB1 ALA 2 HB3 ALA 2 27.439 4.966 -4.098 10 HB2 ALA 2 HB1 ALA 2 26.393 4.800 -5.509 11 HB3 ALA 2 HB2 ALA 2 26.567 6.377 -4.718 12 H TYR 3 H TYR 3 25.642 6.389 -1.529 13 HA TYR 3 HA TYR 3 27.281 4.692 0.028 14 HD1 TYR 3 HD2 TYR 3 26.367 5.213 3.296 15 HD2 TYR 3 HD1 TYR 3 28.905 7.715 0.859 16 HE1 TYR 3 HE2 TYR 3 28.134 5.160 5.052 17 HE2 TYR 3 HE1 TYR 3 30.648 7.660 2.597 18 HH TYR 3 HH TYR 3 31.081 7.100 4.815 19 HB2 TYR 3 HB2 TYR 3 26.727 7.269 0.149 20 HB3 TYR 3 HB3 TYR 3 25.499 6.768 1.296 21 H ALA 4 H ALA 4 23.728 4.901 -0.123 22 HA ALA 4 HA ALA 4 23.080 3.336 2.170 23 HB1 ALA 4 HB3 ALA 4 20.943 2.977 0.958 24 HB2 ALA 4 HB1 ALA 4 21.441 4.678 0.889 25 HB3 ALA 4 HB2 ALA 4 21.662 3.632 -0.525 26 H GLN 5 H GLN 5 23.824 2.409 -1.209 27 HA GLN 5 HA GLN 5 23.532 -0.423 -0.733 28 HB2 GLN 5 HB2 GLN 5 23.400 0.830 -2.960 29 HB3 GLN 5 HB3 GLN 5 25.170 0.849 -2.963 30 HG2 GLN 5 HG2 GLN 5 25.286 -1.537 -3.100 31 HG3 GLN 5 HG3 GLN 5 23.623 -1.745 -2.551 32 HE21 GLN 5 HE22 GLN 5 21.853 -1.460 -4.066 33 HE22 GLN 5 HE21 GLN 5 22.242 -1.324 -5.784 34 H TRP 6 H TRP 6 26.384 1.776 -0.827 35 HA TRP 6 HA TRP 6 28.419 -0.055 -0.247 36 HD1 TRP 6 HD1 TRP 6 31.091 1.216 -0.930 37 HE1 TRP 6 HE1 TRP 6 33.112 0.976 0.610 38 HE3 TRP 6 HE3 TRP 6 28.919 2.739 3.449 39 HZ2 TRP 6 HZ2 TRP 6 33.769 1.612 3.355 40 HZ3 TRP 6 HZ3 TRP 6 30.291 2.966 5.511 41 HH2 TRP 6 HH2 TRP 6 32.713 2.431 5.471 42 HB2 TRP 6 HB2 TRP 6 28.719 2.379 -0.696 43 HB3 TRP 6 HB3 TRP 6 28.149 2.732 0.932 44 H LEU 7 H LEU 7 26.339 1.562 2.210 45 HA LEU 7 HA LEU 7 27.360 0.122 4.464 46 HG LEU 7 HG LEU 7 26.634 2.925 4.169 47 HB2 LEU 7 HB2 LEU 7 24.633 1.343 3.900 48 HB3 LEU 7 HB3 LEU 7 25.066 0.650 5.459 49 HD11 LEU 7 HD11 LEU 7 24.330 3.647 4.593 50 HD12 LEU 7 HD12 LEU 7 24.422 3.033 6.260 51 HD13 LEU 7 HD13 LEU 7 25.438 4.401 5.752 52 HD21 LEU 7 HD23 LEU 7 27.456 3.279 6.488 53 HD22 LEU 7 HD21 LEU 7 26.566 1.840 7.020 54 HD23 LEU 7 HD22 LEU 7 27.918 1.689 5.877 55 H LYS 8 H LYS 8 24.663 -0.740 2.266 56 HA LYS 8 HA LYS 8 23.787 -3.064 3.616 57 HB2 LYS 8 HB2 LYS 8 22.700 -1.796 1.680 58 HB3 LYS 8 HB3 LYS 8 23.745 -2.718 0.586 59 HG2 LYS 8 HG2 LYS 8 22.754 -4.826 1.315 60 HG3 LYS 8 HG3 LYS 8 21.926 -4.017 2.647 61 HD2 LYS 8 HD2 LYS 8 20.162 -4.149 1.257 62 HD3 LYS 8 HD3 LYS 8 20.794 -2.610 0.668 63 HE2 LYS 8 HE2 LYS 8 21.970 -3.831 -1.174 64 HE3 LYS 8 HE3 LYS 8 21.350 -5.361 -0.537 65 HZ1 LYS 8 HZ3 LYS 8 19.946 -4.571 -2.322 66 HZ2 LYS 8 HZ1 LYS 8 19.100 -4.537 -0.914 67 HZ3 LYS 8 HZ2 LYS 8 19.676 -3.139 -1.551 68 H ASP 9 H ASP 9 26.514 -2.732 1.418 69 HA ASP 9 HA ASP 9 27.067 -5.605 1.297 70 HB2 ASP 9 HB2 ASP 9 28.803 -3.259 0.479 71 HB3 ASP 9 HB3 ASP 9 28.995 -4.949 -0.015 72 H GLY 10 H GLY 10 27.162 -4.035 3.980 73 HA2 GLY 10 HA2 GLY 10 28.205 -4.553 5.998 74 HA3 GLY 10 HA3 GLY 10 29.467 -5.448 5.147 75 H GLY 11 H GLY 11 28.564 -2.160 4.260 76 HA2 GLY 11 HA2 GLY 11 29.776 -0.237 4.053 77 HA3 GLY 11 HA3 GLY 11 30.399 -0.554 5.667 78 HA PRO 12 HA PRO 12 34.171 -0.931 3.200 79 HB2 PRO 12 HB2 PRO 12 36.048 -1.128 5.162 80 HB3 PRO 12 HB3 PRO 12 35.147 0.380 4.841 81 HG2 PRO 12 HG2 PRO 12 34.628 -1.681 6.992 82 HG3 PRO 12 HG3 PRO 12 34.626 0.106 7.127 83 HD2 PRO 12 HD2 PRO 12 32.348 -1.453 6.795 84 HD3 PRO 12 HD3 PRO 12 32.463 0.253 6.292 85 H SER 13 H SER 13 32.778 -3.445 5.052 86 HA SER 13 HA SER 13 34.758 -5.377 5.336 87 HG SER 13 HG SER 13 31.777 -4.653 6.401 88 HB2 SER 13 HB2 SER 13 31.844 -5.915 4.637 89 HB3 SER 13 HB3 SER 13 32.969 -7.032 5.431 90 H SER 14 H SER 14 32.841 -4.723 2.419 91 HA SER 14 HA SER 14 33.834 -6.985 0.893 92 HG SER 14 HG SER 14 30.869 -5.095 1.398 93 HB2 SER 14 HB2 SER 14 32.581 -5.245 -0.854 94 HB3 SER 14 HB3 SER 14 31.795 -6.556 0.023 95 H GLY 15 H GLY 15 35.358 -4.087 1.734 96 HA2 GLY 15 HA2 GLY 15 37.357 -3.240 1.023 97 HA3 GLY 15 HA3 GLY 15 37.402 -4.421 -0.284 98 H ARG 16 H ARG 16 34.586 -3.102 -0.924 99 HA ARG 16 HA ARG 16 35.326 -1.335 -3.027 100 HE ARG 16 HE ARG 16 29.133 -1.893 -1.467 101 HB2 ARG 16 HB2 ARG 16 32.918 -0.764 -3.137 102 HB3 ARG 16 HB3 ARG 16 33.292 -2.483 -3.152 103 HG2 ARG 16 HG2 ARG 16 32.775 -2.365 -0.563 104 HG3 ARG 16 HG3 ARG 16 31.948 -0.875 -0.961 105 HD2 ARG 16 HD2 ARG 16 31.345 -3.390 -2.564 106 HD3 ARG 16 HD3 ARG 16 30.772 -3.254 -0.921 107 HH11 ARG 16 HH11 ARG 16 30.988 -2.209 -4.399 108 HH12 ARG 16 HH12 ARG 16 29.595 -1.771 -5.367 109 HH21 ARG 16 HH21 ARG 16 27.577 -1.720 -2.663 110 HH22 ARG 16 HH22 ARG 16 27.637 -1.193 -4.341 111 HA PRO 17 HA PRO 17 36.476 2.189 -0.474 112 HB2 PRO 17 HB2 PRO 17 36.234 3.621 -3.124 113 HB3 PRO 17 HB3 PRO 17 37.521 3.748 -1.886 114 HG2 PRO 17 HG2 PRO 17 37.913 2.262 -4.118 115 HG3 PRO 17 HG3 PRO 17 38.445 1.640 -2.521 116 HD2 PRO 17 HD2 PRO 17 35.939 0.945 -4.068 117 HD3 PRO 17 HD3 PRO 17 37.078 -0.129 -3.196 118 HA PRO 18 HA PRO 18 32.356 3.896 0.120 119 HB2 PRO 18 HB2 PRO 18 32.953 6.020 1.840 120 HB3 PRO 18 HB3 PRO 18 32.690 4.328 2.314 121 HG2 PRO 18 HG2 PRO 18 35.293 5.774 1.840 122 HG3 PRO 18 HG3 PRO 18 34.896 4.576 3.114 123 HD2 PRO 18 HD2 PRO 18 36.321 3.928 0.880 124 HD3 PRO 18 HD3 PRO 18 35.180 2.772 1.631 125 HA PRO 19 HA PRO 19 32.423 7.230 -2.897 126 HB2 PRO 19 HB2 PRO 19 29.757 7.745 -3.117 127 HB3 PRO 19 HB3 PRO 19 30.513 6.251 -3.750 128 HG2 PRO 19 HG2 PRO 19 29.014 6.621 -1.149 129 HG3 PRO 19 HG3 PRO 19 28.870 5.289 -2.329 130 HD2 PRO 19 HD2 PRO 19 30.405 5.135 -0.048 131 HD3 PRO 19 HD3 PRO 19 30.800 4.245 -1.550 132 H SER 20 H SER 20 33.433 8.986 -2.038 133 HA SER 20 HA SER 20 31.932 11.032 -0.634 134 HG SER 20 HG SER 20 34.395 8.812 -0.073 135 HB2 SER 20 HB2 SER 20 33.763 11.262 1.112 136 HB3 SER 20 HB3 SER 20 32.648 9.899 1.331 Start of MODEL 8 1 HA ASP 1 HA ASP 1 23.139 7.691 -2.965 2 H1 ASP 1 H1 ASP 1 23.997 7.810 -5.273 3 H2 ASP 1 H2 ASP 1 22.682 6.880 -5.743 4 H3 ASP 1 H3 ASP 1 22.441 8.346 -5.124 5 HB2 ASP 1 HB2 ASP 1 21.309 6.036 -2.534 6 HB3 ASP 1 HB3 ASP 1 20.830 7.444 -3.466 7 H ALA 2 H ALA 2 25.424 6.547 -4.562 8 HA ALA 2 HA ALA 2 25.613 3.777 -4.256 9 HB1 ALA 2 HB3 ALA 2 28.027 4.192 -4.611 10 HB2 ALA 2 HB1 ALA 2 27.028 5.146 -5.722 11 HB3 ALA 2 HB2 ALA 2 27.778 5.926 -4.312 12 H TYR 3 H TYR 3 26.296 6.296 -1.843 13 HA TYR 3 HA TYR 3 27.775 4.710 -0.008 14 HD1 TYR 3 HD2 TYR 3 26.849 5.346 3.054 15 HD2 TYR 3 HD1 TYR 3 29.342 7.983 0.700 16 HE1 TYR 3 HE2 TYR 3 28.642 5.218 4.772 17 HE2 TYR 3 HE1 TYR 3 31.101 7.845 2.394 18 HH TYR 3 HH TYR 3 31.809 6.752 4.305 19 HB2 TYR 3 HB2 TYR 3 27.266 7.323 -0.160 20 HB3 TYR 3 HB3 TYR 3 25.990 6.930 0.977 21 H ALA 4 H ALA 4 24.248 5.076 -0.449 22 HA ALA 4 HA ALA 4 23.398 3.782 1.959 23 HB1 ALA 4 HB3 ALA 4 21.284 3.441 0.701 24 HB2 ALA 4 HB1 ALA 4 21.883 5.103 0.543 25 HB3 ALA 4 HB2 ALA 4 22.082 3.952 -0.795 26 H GLN 5 H GLN 5 24.098 2.517 -1.322 27 HA GLN 5 HA GLN 5 23.713 -0.233 -0.597 28 HB2 GLN 5 HB2 GLN 5 23.835 0.970 -2.975 29 HB3 GLN 5 HB3 GLN 5 25.543 0.557 -2.848 30 HG2 GLN 5 HG2 GLN 5 24.624 -1.289 -3.954 31 HG3 GLN 5 HG3 GLN 5 24.693 -1.868 -2.288 32 HE21 GLN 5 HE22 GLN 5 22.791 -2.300 -4.848 33 HE22 GLN 5 HE21 GLN 5 21.221 -2.152 -4.057 34 H TRP 6 H TRP 6 26.643 1.838 -0.645 35 HA TRP 6 HA TRP 6 28.602 -0.097 -0.030 36 HD1 TRP 6 HD1 TRP 6 31.448 1.486 -0.857 37 HE1 TRP 6 HE1 TRP 6 33.446 1.040 0.643 38 HE3 TRP 6 HE3 TRP 6 29.255 2.522 3.641 39 HZ2 TRP 6 HZ2 TRP 6 34.098 1.375 3.447 40 HZ3 TRP 6 HZ3 TRP 6 30.643 2.621 5.701 41 HH2 TRP 6 HH2 TRP 6 33.056 2.058 5.615 42 HB2 TRP 6 HB2 TRP 6 29.002 2.338 -0.546 43 HB3 TRP 6 HB3 TRP 6 28.478 2.735 1.082 44 H LEU 7 H LEU 7 26.587 1.743 2.314 45 HA LEU 7 HA LEU 7 27.462 0.250 4.620 46 HG LEU 7 HG LEU 7 27.085 3.123 4.210 47 HB2 LEU 7 HB2 LEU 7 24.899 1.788 4.045 48 HB3 LEU 7 HB3 LEU 7 25.287 1.107 5.623 49 HD11 LEU 7 HD11 LEU 7 24.907 4.148 4.623 50 HD12 LEU 7 HD12 LEU 7 24.940 3.600 6.314 51 HD13 LEU 7 HD13 LEU 7 26.115 4.803 5.740 52 HD21 LEU 7 HD23 LEU 7 28.026 3.467 6.465 53 HD22 LEU 7 HD21 LEU 7 26.931 2.239 7.128 54 HD23 LEU 7 HD22 LEU 7 28.207 1.777 5.985 55 H LYS 8 H LYS 8 24.664 -0.281 2.435 56 HA LYS 8 HA LYS 8 23.488 -2.428 3.810 57 HB2 LYS 8 HB2 LYS 8 23.120 -1.114 1.322 58 HB3 LYS 8 HB3 LYS 8 23.309 -2.813 0.908 59 HG2 LYS 8 HG2 LYS 8 21.520 -3.345 2.628 60 HG3 LYS 8 HG3 LYS 8 21.341 -1.596 2.893 61 HD2 LYS 8 HD2 LYS 8 20.965 -1.450 0.318 62 HD3 LYS 8 HD3 LYS 8 20.741 -3.211 0.389 63 HE2 LYS 8 HE2 LYS 8 18.968 -2.777 2.188 64 HE3 LYS 8 HE3 LYS 8 19.173 -1.048 1.858 65 HZ1 LYS 8 HZ3 LYS 8 17.382 -1.774 0.529 66 HZ2 LYS 8 HZ1 LYS 8 18.649 -1.626 -0.514 67 HZ3 LYS 8 HZ2 LYS 8 18.179 -3.114 0.000 68 H ASP 9 H ASP 9 26.158 -2.651 1.468 69 HA ASP 9 HA ASP 9 26.359 -5.557 1.640 70 HB2 ASP 9 HB2 ASP 9 28.117 -3.359 0.513 71 HB3 ASP 9 HB3 ASP 9 28.651 -5.041 0.550 72 H GLY 10 H GLY 10 26.833 -3.540 4.176 73 HA2 GLY 10 HA2 GLY 10 27.777 -4.158 6.238 74 HA3 GLY 10 HA3 GLY 10 28.788 -5.368 5.448 75 H GLY 11 H GLY 11 28.697 -2.176 4.046 76 HA2 GLY 11 HA2 GLY 11 30.203 -0.504 3.790 77 HA3 GLY 11 HA3 GLY 11 30.482 -0.657 5.511 78 HA PRO 12 HA PRO 12 34.712 -1.573 4.165 79 HB2 PRO 12 HB2 PRO 12 34.911 -2.820 6.900 80 HB3 PRO 12 HB3 PRO 12 36.014 -1.655 6.106 81 HG2 PRO 12 HG2 PRO 12 34.281 -0.843 8.035 82 HG3 PRO 12 HG3 PRO 12 34.551 0.163 6.573 83 HD2 PRO 12 HD2 PRO 12 32.273 -1.745 7.148 84 HD3 PRO 12 HD3 PRO 12 32.228 -0.092 6.472 85 H SER 13 H SER 13 32.544 -4.002 5.553 86 HA SER 13 HA SER 13 33.969 -6.389 5.277 87 HG SER 13 HG SER 13 31.148 -5.088 6.505 88 HB2 SER 13 HB2 SER 13 31.021 -6.075 4.586 89 HB3 SER 13 HB3 SER 13 31.844 -7.510 5.216 90 H SER 14 H SER 14 32.169 -4.611 2.836 91 HA SER 14 HA SER 14 32.390 -6.366 0.630 92 HG SER 14 HG SER 14 31.370 -3.088 1.957 93 HB2 SER 14 HB2 SER 14 32.351 -3.502 0.025 94 HB3 SER 14 HB3 SER 14 31.168 -4.747 -0.386 95 H GLY 15 H GLY 15 34.800 -4.207 1.993 96 HA2 GLY 15 HA2 GLY 15 36.828 -3.452 1.317 97 HA3 GLY 15 HA3 GLY 15 36.838 -4.718 0.097 98 H ARG 16 H ARG 16 34.210 -2.977 -0.823 99 HA ARG 16 HA ARG 16 35.527 -1.566 -2.940 100 HE ARG 16 HE ARG 16 29.828 -2.676 -2.446 101 HB2 ARG 16 HB2 ARG 16 33.264 -0.375 -3.220 102 HB3 ARG 16 HB3 ARG 16 33.385 -2.088 -3.569 103 HG2 ARG 16 HG2 ARG 16 32.024 -2.728 -1.879 104 HG3 ARG 16 HG3 ARG 16 32.546 -1.428 -0.789 105 HD2 ARG 16 HD2 ARG 16 30.638 -0.449 -1.113 106 HD3 ARG 16 HD3 ARG 16 31.146 -0.059 -2.766 107 HH11 ARG 16 HH11 ARG 16 29.222 0.744 -2.880 108 HH12 ARG 16 HH12 ARG 16 27.572 0.498 -3.375 109 HH21 ARG 16 HH21 ARG 16 27.517 -2.814 -2.722 110 HH22 ARG 16 HH22 ARG 16 26.778 -1.547 -3.618 111 HA PRO 17 HA PRO 17 36.847 2.207 -0.886 112 HB2 PRO 17 HB2 PRO 17 36.328 3.349 -3.637 113 HB3 PRO 17 HB3 PRO 17 37.713 3.634 -2.540 114 HG2 PRO 17 HG2 PRO 17 37.948 1.911 -4.616 115 HG3 PRO 17 HG3 PRO 17 38.625 1.477 -3.012 116 HD2 PRO 17 HD2 PRO 17 36.022 0.576 -4.261 117 HD3 PRO 17 HD3 PRO 17 37.242 -0.372 -3.352 118 HA PRO 18 HA PRO 18 32.668 3.821 -0.147 119 HB2 PRO 18 HB2 PRO 18 33.314 5.866 1.635 120 HB3 PRO 18 HB3 PRO 18 33.053 4.158 2.068 121 HG2 PRO 18 HG2 PRO 18 35.660 5.597 1.577 122 HG3 PRO 18 HG3 PRO 18 35.271 4.393 2.848 123 HD2 PRO 18 HD2 PRO 18 36.648 3.745 0.590 124 HD3 PRO 18 HD3 PRO 18 35.493 2.598 1.337 125 HA PRO 19 HA PRO 19 32.861 7.279 -3.011 126 HB2 PRO 19 HB2 PRO 19 30.227 7.990 -3.119 127 HB3 PRO 19 HB3 PRO 19 30.852 6.479 -3.850 128 HG2 PRO 19 HG2 PRO 19 29.453 6.834 -1.202 129 HG3 PRO 19 HG3 PRO 19 29.201 5.559 -2.427 130 HD2 PRO 19 HD2 PRO 19 30.772 5.247 -0.171 131 HD3 PRO 19 HD3 PRO 19 31.040 4.347 -1.696 132 H SER 20 H SER 20 32.796 9.536 -2.956 133 HA SER 20 HA SER 20 32.849 10.817 -0.300 134 HG SER 20 HG SER 20 33.930 12.614 -0.312 135 HB2 SER 20 HB2 SER 20 34.613 11.132 -2.177 136 HB3 SER 20 HB3 SER 20 33.381 12.100 -3.015 Start of MODEL 9 1 HA ASP 1 HA ASP 1 23.864 7.999 -3.676 2 H1 ASP 1 H1 ASP 1 24.562 8.246 -5.934 3 H2 ASP 1 H2 ASP 1 23.274 7.383 -6.480 4 H3 ASP 1 H3 ASP 1 23.035 8.861 -5.771 5 HB2 ASP 1 HB2 ASP 1 21.413 7.972 -4.335 6 HB3 ASP 1 HB3 ASP 1 21.609 6.262 -4.736 7 H ALA 2 H ALA 2 25.246 6.613 -2.806 8 HA ALA 2 HA ALA 2 25.532 3.868 -3.819 9 HB1 ALA 2 HB3 ALA 2 27.979 4.043 -4.114 10 HB2 ALA 2 HB1 ALA 2 27.111 5.100 -5.241 11 HB3 ALA 2 HB2 ALA 2 27.900 5.795 -3.808 12 H TYR 3 H TYR 3 26.480 6.319 -1.361 13 HA TYR 3 HA TYR 3 27.742 4.641 0.454 14 HD1 TYR 3 HD1 TYR 3 26.658 5.300 3.558 15 HD2 TYR 3 HD2 TYR 3 29.425 7.720 1.286 16 HE1 TYR 3 HE1 TYR 3 28.368 5.077 5.355 17 HE2 TYR 3 HE2 TYR 3 31.107 7.477 3.051 18 HH TYR 3 HH TYR 3 31.666 6.296 4.976 19 HB2 TYR 3 HB2 TYR 3 27.317 7.254 0.379 20 HB3 TYR 3 HB3 TYR 3 25.984 6.874 1.454 21 H ALA 4 H ALA 4 24.215 5.076 -0.006 22 HA ALA 4 HA ALA 4 23.294 3.710 2.295 23 HB1 ALA 4 HB3 ALA 4 21.228 3.469 1.023 24 HB2 ALA 4 HB1 ALA 4 21.922 5.064 0.674 25 HB3 ALA 4 HB2 ALA 4 22.079 3.754 -0.508 26 H GLN 5 H GLN 5 24.110 2.453 -0.961 27 HA GLN 5 HA GLN 5 23.702 -0.313 -0.239 28 HB2 GLN 5 HB2 GLN 5 23.698 0.896 -2.613 29 HB3 GLN 5 HB3 GLN 5 25.429 0.555 -2.564 30 HG2 GLN 5 HG2 GLN 5 24.425 -1.286 -3.695 31 HG3 GLN 5 HG3 GLN 5 24.786 -1.901 -2.083 32 HE21 GLN 5 HE22 GLN 5 22.190 -1.123 -4.390 33 HE22 GLN 5 HE21 GLN 5 20.929 -1.691 -3.284 34 H TRP 6 H TRP 6 26.553 1.830 -0.313 35 HA TRP 6 HA TRP 6 28.590 -0.043 0.235 36 HD1 TRP 6 HD1 TRP 6 31.249 1.436 -0.634 37 HE1 TRP 6 HE1 TRP 6 33.335 1.011 0.753 38 HE3 TRP 6 HE3 TRP 6 29.304 2.514 3.960 39 HZ2 TRP 6 HZ2 TRP 6 34.151 1.482 3.498 40 HZ3 TRP 6 HZ3 TRP 6 30.793 2.623 5.948 41 HH2 TRP 6 HH2 TRP 6 33.214 2.124 5.728 42 HB2 TRP 6 HB2 TRP 6 28.861 2.436 -0.180 43 HB3 TRP 6 HB3 TRP 6 28.396 2.708 1.495 44 H LEU 7 H LEU 7 26.570 1.671 2.680 45 HA LEU 7 HA LEU 7 27.482 0.052 4.884 46 HG LEU 7 HG LEU 7 27.089 2.956 4.629 47 HB2 LEU 7 HB2 LEU 7 24.913 1.623 4.466 48 HB3 LEU 7 HB3 LEU 7 25.351 0.854 5.992 49 HD11 LEU 7 HD11 LEU 7 24.927 3.930 5.221 50 HD12 LEU 7 HD12 LEU 7 25.047 3.266 6.866 51 HD13 LEU 7 HD13 LEU 7 26.181 4.520 6.323 52 HD21 LEU 7 HD23 LEU 7 28.139 3.157 6.858 53 HD22 LEU 7 HD21 LEU 7 27.089 1.871 7.485 54 HD23 LEU 7 HD22 LEU 7 28.313 1.510 6.251 55 H LYS 8 H LYS 8 24.590 -0.342 2.771 56 HA LYS 8 HA LYS 8 23.513 -2.582 4.087 57 HB2 LYS 8 HB2 LYS 8 22.552 -1.144 2.119 58 HB3 LYS 8 HB3 LYS 8 23.435 -2.253 1.067 59 HG2 LYS 8 HG2 LYS 8 21.219 -3.099 1.200 60 HG3 LYS 8 HG3 LYS 8 22.190 -4.164 2.210 61 HD2 LYS 8 HD2 LYS 8 21.296 -2.125 3.979 62 HD3 LYS 8 HD3 LYS 8 19.925 -2.392 2.916 63 HE2 LYS 8 HE2 LYS 8 21.419 -4.548 4.482 64 HE3 LYS 8 HE3 LYS 8 19.907 -3.784 4.996 65 HZ1 LYS 8 HZ3 LYS 8 19.487 -5.887 3.904 66 HZ2 LYS 8 HZ1 LYS 8 18.860 -4.666 2.993 67 HZ3 LYS 8 HZ2 LYS 8 20.265 -5.392 2.541 68 H ASP 9 H ASP 9 25.993 -2.583 1.553 69 HA ASP 9 HA ASP 9 26.331 -5.479 1.598 70 HB2 ASP 9 HB2 ASP 9 27.894 -3.260 0.245 71 HB3 ASP 9 HB3 ASP 9 28.145 -4.983 -0.023 72 H GLY 10 H GLY 10 26.798 -4.145 4.191 73 HA2 GLY 10 HA2 GLY 10 28.117 -4.757 6.001 74 HA3 GLY 10 HA3 GLY 10 29.209 -5.617 4.917 75 H GLY 11 H GLY 11 28.477 -2.209 4.377 76 HA2 GLY 11 HA2 GLY 11 29.777 -0.324 4.420 77 HA3 GLY 11 HA3 GLY 11 30.534 -0.945 5.881 78 HA PRO 12 HA PRO 12 33.987 -1.166 2.949 79 HB2 PRO 12 HB2 PRO 12 36.036 -1.781 4.645 80 HB3 PRO 12 HB3 PRO 12 35.272 -0.171 4.589 81 HG2 PRO 12 HG2 PRO 12 34.771 -2.403 6.561 82 HG3 PRO 12 HG3 PRO 12 34.952 -0.647 6.874 83 HD2 PRO 12 HD2 PRO 12 32.515 -1.959 6.656 84 HD3 PRO 12 HD3 PRO 12 32.739 -0.226 6.296 85 H SER 13 H SER 13 32.719 -3.879 4.796 86 HA SER 13 HA SER 13 34.630 -5.862 4.191 87 HG SER 13 HG SER 13 33.829 -6.576 6.364 88 HB2 SER 13 HB2 SER 13 31.628 -6.096 4.621 89 HB3 SER 13 HB3 SER 13 32.750 -7.467 4.594 90 H SER 14 H SER 14 32.203 -4.502 2.021 91 HA SER 14 HA SER 14 32.293 -6.683 0.110 92 HG SER 14 HG SER 14 30.096 -4.345 1.279 93 HB2 SER 14 HB2 SER 14 31.336 -4.477 -1.256 94 HB3 SER 14 HB3 SER 14 30.379 -5.678 -0.402 95 H GLY 15 H GLY 15 34.715 -4.460 0.885 96 HA2 GLY 15 HA2 GLY 15 36.773 -4.250 -0.156 97 HA3 GLY 15 HA3 GLY 15 36.193 -5.243 -1.491 98 H ARG 16 H ARG 16 34.155 -2.605 -0.955 99 HA ARG 16 HA ARG 16 35.277 -1.089 -3.256 100 HE ARG 16 HE ARG 16 30.489 -1.331 -4.163 101 HB2 ARG 16 HB2 ARG 16 33.024 0.074 -3.211 102 HB3 ARG 16 HB3 ARG 16 33.074 -1.594 -3.775 103 HG2 ARG 16 HG2 ARG 16 31.987 -2.442 -1.875 104 HG3 ARG 16 HG3 ARG 16 32.411 -1.060 -0.875 105 HD2 ARG 16 HD2 ARG 16 30.167 -0.779 -1.227 106 HD3 ARG 16 HD3 ARG 16 30.897 0.361 -2.355 107 HH11 ARG 16 HH11 ARG 16 28.485 -1.572 -1.266 108 HH12 ARG 16 HH12 ARG 16 27.367 -2.576 -2.131 109 HH21 ARG 16 HH21 ARG 16 28.658 -2.257 -5.212 110 HH22 ARG 16 HH22 ARG 16 27.320 -2.730 -4.181 111 HA PRO 17 HA PRO 17 36.755 2.019 -0.337 112 HB2 PRO 17 HB2 PRO 17 36.488 3.752 -2.802 113 HB3 PRO 17 HB3 PRO 17 37.823 3.691 -1.609 114 HG2 PRO 17 HG2 PRO 17 38.073 2.442 -4.000 115 HG3 PRO 17 HG3 PRO 17 38.624 1.624 -2.501 116 HD2 PRO 17 HD2 PRO 17 36.045 1.211 -4.028 117 HD3 PRO 17 HD3 PRO 17 37.147 -0.003 -3.305 118 HA PRO 18 HA PRO 18 32.777 3.915 0.646 119 HB2 PRO 18 HB2 PRO 18 33.620 5.926 2.386 120 HB3 PRO 18 HB3 PRO 18 33.312 4.230 2.825 121 HG2 PRO 18 HG2 PRO 18 35.940 5.568 2.194 122 HG3 PRO 18 HG3 PRO 18 35.584 4.349 3.459 123 HD2 PRO 18 HD2 PRO 18 36.795 3.711 1.100 124 HD3 PRO 18 HD3 PRO 18 35.662 2.584 1.904 125 HA PRO 19 HA PRO 19 33.019 7.412 -2.224 126 HB2 PRO 19 HB2 PRO 19 30.361 7.976 -2.485 127 HB3 PRO 19 HB3 PRO 19 31.122 6.533 -3.222 128 HG2 PRO 19 HG2 PRO 19 29.515 6.701 -0.677 129 HG3 PRO 19 HG3 PRO 19 29.437 5.460 -1.958 130 HD2 PRO 19 HD2 PRO 19 30.866 5.182 0.407 131 HD3 PRO 19 HD3 PRO 19 31.278 4.327 -1.110 132 H SER 20 H SER 20 32.655 9.734 -2.126 133 HA SER 20 HA SER 20 31.901 10.938 0.468 134 HG SER 20 HG SER 20 33.723 13.137 0.405 135 HB2 SER 20 HB2 SER 20 34.394 10.379 0.397 136 HB3 SER 20 HB3 SER 20 34.528 11.504 -0.969 Start of MODEL 10 1 HA ASP 1 HA ASP 1 23.791 8.033 -4.316 2 H1 ASP 1 H1 ASP 1 21.657 7.178 -4.819 3 H2 ASP 1 H2 ASP 1 21.292 6.954 -3.220 4 H3 ASP 1 H3 ASP 1 21.487 8.490 -3.807 5 HB2 ASP 1 HB2 ASP 1 22.738 7.973 -1.478 6 HB3 ASP 1 HB3 ASP 1 24.470 8.095 -1.851 7 H ALA 2 H ALA 2 25.520 6.714 -4.324 8 HA ALA 2 HA ALA 2 25.207 3.882 -4.191 9 HB1 ALA 2 HB3 ALA 2 27.662 3.928 -4.562 10 HB2 ALA 2 HB1 ALA 2 26.809 5.035 -5.653 11 HB3 ALA 2 HB2 ALA 2 27.675 5.678 -4.245 12 H TYR 3 H TYR 3 26.138 6.249 -1.721 13 HA TYR 3 HA TYR 3 27.503 4.573 0.073 14 HD1 TYR 3 HD2 TYR 3 26.435 5.164 3.197 15 HD2 TYR 3 HD1 TYR 3 29.072 7.674 0.889 16 HE1 TYR 3 HE2 TYR 3 28.104 5.145 5.051 17 HE2 TYR 3 HE1 TYR 3 30.720 7.658 2.723 18 HH TYR 3 HH TYR 3 31.038 7.109 4.967 19 HB2 TYR 3 HB2 TYR 3 26.988 7.178 0.032 20 HB3 TYR 3 HB3 TYR 3 25.682 6.735 1.113 21 H ALA 4 H ALA 4 24.008 4.962 -0.413 22 HA ALA 4 HA ALA 4 23.087 3.504 1.875 23 HB1 ALA 4 HB3 ALA 4 20.990 3.339 0.573 24 HB2 ALA 4 HB1 ALA 4 21.653 4.985 0.507 25 HB3 ALA 4 HB2 ALA 4 21.839 3.891 -0.886 26 H GLN 5 H GLN 5 24.328 2.452 -1.274 27 HA GLN 5 HA GLN 5 23.622 -0.366 -0.807 28 HB2 GLN 5 HB2 GLN 5 23.795 0.932 -3.096 29 HB3 GLN 5 HB3 GLN 5 25.521 0.631 -2.948 30 HG2 GLN 5 HG2 GLN 5 25.246 -1.489 -3.684 31 HG3 GLN 5 HG3 GLN 5 24.107 -1.858 -2.397 32 HE21 GLN 5 HE22 GLN 5 21.738 -1.465 -2.821 33 HE22 GLN 5 HE21 GLN 5 21.269 -1.336 -4.526 34 H TRP 6 H TRP 6 26.536 1.732 -0.816 35 HA TRP 6 HA TRP 6 28.528 -0.086 -0.162 36 HD1 TRP 6 HD1 TRP 6 31.156 1.265 -0.907 37 HE1 TRP 6 HE1 TRP 6 33.213 0.996 0.588 38 HE3 TRP 6 HE3 TRP 6 29.085 2.740 3.529 39 HZ2 TRP 6 HZ2 TRP 6 33.933 1.627 3.315 40 HZ3 TRP 6 HZ3 TRP 6 30.506 2.983 5.553 41 HH2 TRP 6 HH2 TRP 6 32.928 2.447 5.456 42 HB2 TRP 6 HB2 TRP 6 28.779 2.381 -0.591 43 HB3 TRP 6 HB3 TRP 6 28.236 2.684 1.057 44 H LEU 7 H LEU 7 26.465 1.586 2.278 45 HA LEU 7 HA LEU 7 27.422 0.062 4.521 46 HG LEU 7 HG LEU 7 26.871 2.934 4.241 47 HB2 LEU 7 HB2 LEU 7 24.788 1.488 4.009 48 HB3 LEU 7 HB3 LEU 7 25.199 0.753 5.558 49 HD11 LEU 7 HD11 LEU 7 24.643 3.786 4.801 50 HD12 LEU 7 HD12 LEU 7 24.780 3.126 6.447 51 HD13 LEU 7 HD13 LEU 7 25.850 4.441 5.919 52 HD21 LEU 7 HD23 LEU 7 27.833 3.183 6.524 53 HD22 LEU 7 HD21 LEU 7 26.879 1.792 7.074 54 HD23 LEU 7 HD22 LEU 7 28.162 1.582 5.864 55 H LYS 8 H LYS 8 24.874 -0.670 2.191 56 HA LYS 8 HA LYS 8 23.666 -2.887 3.535 57 HB2 LYS 8 HB2 LYS 8 23.064 -1.387 1.378 58 HB3 LYS 8 HB3 LYS 8 23.764 -2.745 0.518 59 HG2 LYS 8 HG2 LYS 8 22.093 -4.229 1.273 60 HG3 LYS 8 HG3 LYS 8 21.619 -3.191 2.624 61 HD2 LYS 8 HD2 LYS 8 21.234 -2.337 -0.276 62 HD3 LYS 8 HD3 LYS 8 20.025 -3.263 0.631 63 HE2 LYS 8 HE2 LYS 8 20.096 -1.473 2.422 64 HE3 LYS 8 HE3 LYS 8 21.111 -0.498 1.351 65 HZ1 LYS 8 HZ3 LYS 8 18.749 0.061 1.188 66 HZ2 LYS 8 HZ1 LYS 8 19.309 -0.492 -0.254 67 HZ3 LYS 8 HZ2 LYS 8 18.384 -1.463 0.699 68 H ASP 9 H ASP 9 26.327 -2.725 1.192 69 HA ASP 9 HA ASP 9 26.998 -5.561 1.306 70 HB2 ASP 9 HB2 ASP 9 28.431 -3.106 0.230 71 HB3 ASP 9 HB3 ASP 9 29.029 -4.748 0.049 72 H GLY 10 H GLY 10 26.906 -4.236 3.959 73 HA2 GLY 10 HA2 GLY 10 27.983 -4.496 5.975 74 HA3 GLY 10 HA3 GLY 10 29.250 -5.416 5.161 75 H GLY 11 H GLY 11 28.432 -2.132 4.207 76 HA2 GLY 11 HA2 GLY 11 29.670 -0.205 4.074 77 HA3 GLY 11 HA3 GLY 11 30.209 -0.542 5.712 78 HA PRO 12 HA PRO 12 34.079 -0.925 3.409 79 HB2 PRO 12 HB2 PRO 12 35.865 -1.107 5.456 80 HB3 PRO 12 HB3 PRO 12 34.992 0.403 5.069 81 HG2 PRO 12 HG2 PRO 12 34.357 -1.615 7.228 82 HG3 PRO 12 HG3 PRO 12 34.364 0.174 7.333 83 HD2 PRO 12 HD2 PRO 12 32.089 -1.368 6.924 84 HD3 PRO 12 HD3 PRO 12 32.245 0.326 6.388 85 H SER 13 H SER 13 32.607 -3.428 5.282 86 HA SER 13 HA SER 13 34.614 -5.353 5.553 87 HG SER 13 HG SER 13 33.609 -7.346 6.391 88 HB2 SER 13 HB2 SER 13 32.305 -5.441 6.515 89 HB3 SER 13 HB3 SER 13 31.681 -5.863 4.909 90 H SER 14 H SER 14 32.592 -4.754 2.699 91 HA SER 14 HA SER 14 33.611 -6.982 1.146 92 HG SER 14 HG SER 14 30.629 -5.649 1.468 93 HB2 SER 14 HB2 SER 14 32.131 -4.458 0.337 94 HB3 SER 14 HB3 SER 14 32.437 -5.854 -0.717 95 H GLY 15 H GLY 15 35.192 -4.034 1.930 96 HA2 GLY 15 HA2 GLY 15 37.218 -3.243 1.208 97 HA3 GLY 15 HA3 GLY 15 37.268 -4.486 -0.037 98 H ARG 16 H ARG 16 34.471 -3.141 -0.823 99 HA ARG 16 HA ARG 16 35.363 -1.503 -2.972 100 HE ARG 16 HE ARG 16 30.187 -1.668 -3.069 101 HB2 ARG 16 HB2 ARG 16 33.010 -0.794 -3.205 102 HB3 ARG 16 HB3 ARG 16 33.263 -2.528 -3.145 103 HG2 ARG 16 HG2 ARG 16 32.718 -1.888 -0.458 104 HG3 ARG 16 HG3 ARG 16 31.685 -0.784 -1.354 105 HD2 ARG 16 HD2 ARG 16 31.822 -3.776 -1.839 106 HD3 ARG 16 HD3 ARG 16 30.660 -2.998 -0.749 107 HH11 ARG 16 HH11 ARG 16 30.333 -5.069 -2.370 108 HH12 ARG 16 HH12 ARG 16 28.678 -5.251 -2.793 109 HH21 ARG 16 HH21 ARG 16 28.352 -2.209 -4.314 110 HH22 ARG 16 HH22 ARG 16 27.894 -3.888 -4.379 111 HA PRO 17 HA PRO 17 36.599 2.118 -0.646 112 HB2 PRO 17 HB2 PRO 17 36.194 3.474 -3.318 113 HB3 PRO 17 HB3 PRO 17 37.551 3.644 -2.161 114 HG2 PRO 17 HG2 PRO 17 37.820 2.083 -4.359 115 HG3 PRO 17 HG3 PRO 17 38.440 1.514 -2.775 116 HD2 PRO 17 HD2 PRO 17 35.860 0.762 -4.162 117 HD3 PRO 17 HD3 PRO 17 37.044 -0.275 -3.304 118 HA PRO 18 HA PRO 18 32.530 3.888 0.158 119 HB2 PRO 18 HB2 PRO 18 33.243 6.021 1.796 120 HB3 PRO 18 HB3 PRO 18 33.032 4.335 2.320 121 HG2 PRO 18 HG2 PRO 18 35.587 5.779 1.616 122 HG3 PRO 18 HG3 PRO 18 35.286 4.637 2.965 123 HD2 PRO 18 HD2 PRO 18 36.543 3.886 0.667 124 HD3 PRO 18 HD3 PRO 18 35.447 2.770 1.538 125 HA PRO 19 HA PRO 19 32.625 7.183 -2.943 126 HB2 PRO 19 HB2 PRO 19 29.953 7.619 -3.229 127 HB3 PRO 19 HB3 PRO 19 30.755 6.139 -3.837 128 HG2 PRO 19 HG2 PRO 19 29.184 6.486 -1.274 129 HG3 PRO 19 HG3 PRO 19 29.106 5.143 -2.454 130 HD2 PRO 19 HD2 PRO 19 30.587 5.062 -0.127 131 HD3 PRO 19 HD3 PRO 19 31.017 4.140 -1.600 132 H SER 20 H SER 20 33.097 9.315 -2.530 133 HA SER 20 HA SER 20 31.517 10.916 -0.707 134 HG SER 20 HG SER 20 34.600 9.571 -0.862 135 HB2 SER 20 HB2 SER 20 33.563 11.802 0.468 136 HB3 SER 20 HB3 SER 20 33.069 10.166 0.945 Start of MODEL 11 1 HA ASP 1 HA ASP 1 23.694 8.797 -3.506 2 H1 ASP 1 H1 ASP 1 26.061 8.978 -3.726 3 H2 ASP 1 H2 ASP 1 25.979 8.572 -5.348 4 H3 ASP 1 H3 ASP 1 25.363 9.965 -4.853 5 HB2 ASP 1 HB2 ASP 1 22.335 8.171 -5.566 6 HB3 ASP 1 HB3 ASP 1 23.007 9.793 -5.499 7 H ALA 2 H ALA 2 26.199 6.785 -3.635 8 HA ALA 2 HA ALA 2 24.574 4.300 -3.858 9 HB1 ALA 2 HB3 ALA 2 26.681 3.253 -4.569 10 HB2 ALA 2 HB1 ALA 2 26.191 4.583 -5.630 11 HB3 ALA 2 HB2 ALA 2 27.501 4.829 -4.464 12 H TYR 3 H TYR 3 25.415 6.160 -1.414 13 HA TYR 3 HA TYR 3 27.107 4.620 0.258 14 HD1 TYR 3 HD2 TYR 3 28.718 6.396 1.362 15 HD2 TYR 3 HD1 TYR 3 25.026 6.103 3.586 16 HE1 TYR 3 HE2 TYR 3 30.005 6.232 3.493 17 HE2 TYR 3 HE1 TYR 3 26.329 6.025 5.713 18 HH TYR 3 HH TYR 3 28.899 6.864 6.381 19 HB2 TYR 3 HB2 TYR 3 26.461 7.092 0.415 20 HB3 TYR 3 HB3 TYR 3 24.981 6.567 1.210 21 H ALA 4 H ALA 4 23.534 4.578 -0.015 22 HA ALA 4 HA ALA 4 22.990 2.860 2.183 23 HB1 ALA 4 HB3 ALA 4 20.857 2.502 1.115 24 HB2 ALA 4 HB1 ALA 4 21.320 4.185 0.812 25 HB3 ALA 4 HB2 ALA 4 21.492 2.971 -0.475 26 H GLN 5 H GLN 5 23.768 2.091 -1.227 27 HA GLN 5 HA GLN 5 23.705 -0.765 -0.913 28 HB2 GLN 5 HB2 GLN 5 23.646 0.694 -3.100 29 HB3 GLN 5 HB3 GLN 5 25.408 0.666 -2.956 30 HG2 GLN 5 HG2 GLN 5 25.010 -1.977 -2.666 31 HG3 GLN 5 HG3 GLN 5 23.469 -1.610 -3.439 32 HE21 GLN 5 HE22 GLN 5 26.742 -2.431 -4.025 33 HE22 GLN 5 HE21 GLN 5 26.738 -1.852 -5.705 34 H TRP 6 H TRP 6 26.297 1.698 -0.536 35 HA TRP 6 HA TRP 6 28.474 -0.124 -0.113 36 HD1 TRP 6 HD1 TRP 6 31.064 1.006 -0.677 37 HE1 TRP 6 HE1 TRP 6 33.098 1.009 0.863 38 HE3 TRP 6 HE3 TRP 6 28.824 2.840 3.547 39 HZ2 TRP 6 HZ2 TRP 6 33.707 1.862 3.559 40 HZ3 TRP 6 HZ3 TRP 6 30.163 3.246 5.594 41 HH2 TRP 6 HH2 TRP 6 32.603 2.779 5.612 42 HB2 TRP 6 HB2 TRP 6 28.679 2.318 -0.511 43 HB3 TRP 6 HB3 TRP 6 28.074 2.613 1.114 44 H LEU 7 H LEU 7 26.281 1.365 2.306 45 HA LEU 7 HA LEU 7 27.250 -0.131 4.537 46 HG LEU 7 HG LEU 7 26.402 2.717 4.117 47 HB2 LEU 7 HB2 LEU 7 24.491 1.012 3.978 48 HB3 LEU 7 HB3 LEU 7 25.016 0.402 5.546 49 HD11 LEU 7 HD11 LEU 7 24.145 3.392 4.547 50 HD12 LEU 7 HD12 LEU 7 24.159 2.665 6.173 51 HD13 LEU 7 HD13 LEU 7 25.141 4.096 5.830 52 HD21 LEU 7 HD23 LEU 7 27.362 3.209 6.292 53 HD22 LEU 7 HD21 LEU 7 26.501 1.840 7.032 54 HD23 LEU 7 HD22 LEU 7 27.790 1.559 5.839 55 H LYS 8 H LYS 8 24.563 -0.952 2.293 56 HA LYS 8 HA LYS 8 23.709 -3.373 3.451 57 HB2 LYS 8 HB2 LYS 8 23.815 -2.289 0.646 58 HB3 LYS 8 HB3 LYS 8 23.448 -3.980 0.825 59 HG2 LYS 8 HG2 LYS 8 21.819 -2.275 2.642 60 HG3 LYS 8 HG3 LYS 8 21.637 -1.873 0.936 61 HD2 LYS 8 HD2 LYS 8 19.964 -3.510 1.356 62 HD3 LYS 8 HD3 LYS 8 21.226 -4.312 0.439 63 HE2 LYS 8 HE2 LYS 8 20.883 -5.909 2.050 64 HE3 LYS 8 HE3 LYS 8 22.167 -4.983 2.833 65 HZ1 LYS 8 HZ3 LYS 8 20.342 -5.380 4.352 66 HZ2 LYS 8 HZ1 LYS 8 20.398 -3.766 4.028 67 HZ3 LYS 8 HZ2 LYS 8 19.254 -4.709 3.319 68 H ASP 9 H ASP 9 26.556 -2.934 1.389 69 HA ASP 9 HA ASP 9 27.256 -5.791 1.437 70 HB2 ASP 9 HB2 ASP 9 28.425 -3.281 0.216 71 HB3 ASP 9 HB3 ASP 9 29.300 -4.799 0.176 72 H GLY 10 H GLY 10 27.133 -4.295 4.050 73 HA2 GLY 10 HA2 GLY 10 28.243 -4.570 6.067 74 HA3 GLY 10 HA3 GLY 10 29.548 -5.421 5.237 75 H GLY 11 H GLY 11 28.541 -2.237 4.170 76 HA2 GLY 11 HA2 GLY 11 29.660 -0.249 3.958 77 HA3 GLY 11 HA3 GLY 11 30.175 -0.473 5.622 78 HA PRO 12 HA PRO 12 34.142 -0.723 3.477 79 HB2 PRO 12 HB2 PRO 12 35.854 -0.762 5.600 80 HB3 PRO 12 HB3 PRO 12 34.929 0.685 5.121 81 HG2 PRO 12 HG2 PRO 12 34.327 -1.249 7.354 82 HG3 PRO 12 HG3 PRO 12 34.196 0.538 7.342 83 HD2 PRO 12 HD2 PRO 12 32.077 -1.234 6.927 84 HD3 PRO 12 HD3 PRO 12 32.095 0.461 6.376 85 H SER 13 H SER 13 32.704 -3.270 5.308 86 HA SER 13 HA SER 13 34.840 -5.113 5.553 87 HG SER 13 HG SER 13 33.470 -7.523 5.194 88 HB2 SER 13 HB2 SER 13 32.588 -5.246 6.659 89 HB3 SER 13 HB3 SER 13 31.905 -5.771 5.107 90 H SER 14 H SER 14 32.703 -4.522 2.763 91 HA SER 14 HA SER 14 33.674 -6.835 1.273 92 HG SER 14 HG SER 14 30.695 -5.828 1.616 93 HB2 SER 14 HB2 SER 14 31.963 -4.454 0.499 94 HB3 SER 14 HB3 SER 14 32.407 -5.762 -0.620 95 H GLY 15 H GLY 15 35.391 -4.069 2.015 96 HA2 GLY 15 HA2 GLY 15 37.444 -3.399 1.218 97 HA3 GLY 15 HA3 GLY 15 37.366 -4.683 0.012 98 H ARG 16 H ARG 16 34.758 -2.476 -0.066 99 HA ARG 16 HA ARG 16 35.762 -1.212 -2.559 100 HE ARG 16 HE ARG 16 31.111 -0.489 -3.134 101 HB2 ARG 16 HB2 ARG 16 33.331 -0.590 -2.897 102 HB3 ARG 16 HB3 ARG 16 33.797 -2.278 -3.074 103 HG2 ARG 16 HG2 ARG 16 32.916 -2.767 -0.794 104 HG3 ARG 16 HG3 ARG 16 32.357 -1.100 -0.652 105 HD2 ARG 16 HD2 ARG 16 31.504 -3.050 -2.844 106 HD3 ARG 16 HD3 ARG 16 30.643 -2.818 -1.321 107 HH11 ARG 16 HH11 ARG 16 28.666 -2.734 -1.852 108 HH12 ARG 16 HH12 ARG 16 27.454 -1.594 -1.742 109 HH21 ARG 16 HH21 ARG 16 29.327 0.887 -3.470 110 HH22 ARG 16 HH22 ARG 16 27.756 0.327 -2.973 111 HA PRO 17 HA PRO 17 36.451 2.519 -0.151 112 HB2 PRO 17 HB2 PRO 17 36.230 3.784 -2.887 113 HB3 PRO 17 HB3 PRO 17 37.431 4.094 -1.596 114 HG2 PRO 17 HG2 PRO 17 38.071 2.533 -3.719 115 HG3 PRO 17 HG3 PRO 17 38.579 2.057 -2.066 116 HD2 PRO 17 HD2 PRO 17 36.245 1.025 -3.687 117 HD3 PRO 17 HD3 PRO 17 37.419 0.126 -2.674 118 HA PRO 18 HA PRO 18 32.183 3.882 0.174 119 HB2 PRO 18 HB2 PRO 18 32.514 6.208 1.682 120 HB3 PRO 18 HB3 PRO 18 32.433 4.549 2.325 121 HG2 PRO 18 HG2 PRO 18 34.878 6.209 1.705 122 HG3 PRO 18 HG3 PRO 18 34.577 5.150 3.122 123 HD2 PRO 18 HD2 PRO 18 36.106 4.353 1.022 124 HD3 PRO 18 HD3 PRO 18 35.027 3.201 1.868 125 HA PRO 19 HA PRO 19 32.083 6.968 -3.114 126 HB2 PRO 19 HB2 PRO 19 29.419 7.058 -3.610 127 HB3 PRO 19 HB3 PRO 19 30.410 5.616 -3.986 128 HG2 PRO 19 HG2 PRO 19 28.631 6.075 -1.574 129 HG3 PRO 19 HG3 PRO 19 28.771 4.609 -2.591 130 HD2 PRO 19 HD2 PRO 19 30.099 4.950 -0.192 131 HD3 PRO 19 HD3 PRO 19 30.698 3.913 -1.523 132 H SER 20 H SER 20 32.553 9.005 -2.608 133 HA SER 20 HA SER 20 30.962 10.668 -0.730 134 HG SER 20 HG SER 20 32.781 11.295 0.477 135 HB2 SER 20 HB2 SER 20 33.587 11.008 -2.237 136 HB3 SER 20 HB3 SER 20 32.743 12.398 -1.536 Start of MODEL 12 1 HA ASP 1 HA ASP 1 22.099 7.915 -2.806 2 H1 ASP 1 H1 ASP 1 21.516 7.750 -5.100 3 H2 ASP 1 H2 ASP 1 20.276 6.717 -4.771 4 H3 ASP 1 H3 ASP 1 20.203 8.286 -4.255 5 HB2 ASP 1 HB2 ASP 1 19.650 7.603 -2.119 6 HB3 ASP 1 HB3 ASP 1 19.946 5.869 -2.205 7 H ALA 2 H ALA 2 24.025 6.970 -3.137 8 HA ALA 2 HA ALA 2 24.139 4.090 -3.931 9 HB1 ALA 2 HB3 ALA 2 26.392 4.625 -4.725 10 HB2 ALA 2 HB1 ALA 2 25.201 5.708 -5.469 11 HB3 ALA 2 HB2 ALA 2 26.232 6.297 -4.143 12 H TYR 3 H TYR 3 25.091 6.402 -1.411 13 HA TYR 3 HA TYR 3 27.049 4.773 -0.126 14 HD1 TYR 3 HD2 TYR 3 28.992 6.825 0.640 15 HD2 TYR 3 HD1 TYR 3 25.821 6.031 3.457 16 HE1 TYR 3 HE2 TYR 3 30.675 6.509 2.442 17 HE2 TYR 3 HE1 TYR 3 27.502 5.807 5.270 18 HH TYR 3 HH TYR 3 29.722 5.809 5.809 19 HB2 TYR 3 HB2 TYR 3 26.638 7.292 0.096 20 HB3 TYR 3 HB3 TYR 3 25.324 6.893 1.197 21 H ALA 4 H ALA 4 23.458 4.998 0.263 22 HA ALA 4 HA ALA 4 23.167 3.229 2.437 23 HB1 ALA 4 HB3 ALA 4 20.946 2.764 1.427 24 HB2 ALA 4 HB1 ALA 4 21.326 4.497 1.434 25 HB3 ALA 4 HB2 ALA 4 21.465 3.568 -0.073 26 H GLN 5 H GLN 5 23.666 2.409 -1.053 27 HA GLN 5 HA GLN 5 23.421 -0.431 -0.603 28 HB2 GLN 5 HB2 GLN 5 23.250 0.900 -2.875 29 HB3 GLN 5 HB3 GLN 5 25.009 0.710 -2.905 30 HG2 GLN 5 HG2 GLN 5 24.260 -1.863 -2.253 31 HG3 GLN 5 HG3 GLN 5 22.830 -1.342 -3.136 32 HE21 GLN 5 HE22 GLN 5 25.993 -2.757 -3.469 33 HE22 GLN 5 HE21 GLN 5 25.983 -2.497 -5.229 34 H TRP 6 H TRP 6 26.230 1.792 -0.824 35 HA TRP 6 HA TRP 6 28.297 -0.126 -0.573 36 HD1 TRP 6 HD1 TRP 6 30.963 0.863 -1.385 37 HE1 TRP 6 HE1 TRP 6 33.167 0.841 -0.005 38 HE3 TRP 6 HE3 TRP 6 29.244 2.987 2.942 39 HZ2 TRP 6 HZ2 TRP 6 33.995 1.511 2.627 40 HZ3 TRP 6 HZ3 TRP 6 30.780 3.306 4.869 41 HH2 TRP 6 HH2 TRP 6 33.148 2.588 4.724 42 HB2 TRP 6 HB2 TRP 6 28.658 2.274 -1.060 43 HB3 TRP 6 HB3 TRP 6 28.221 2.681 0.594 44 H LEU 7 H LEU 7 26.509 1.513 2.098 45 HA LEU 7 HA LEU 7 27.714 -0.113 4.171 46 HG LEU 7 HG LEU 7 27.142 2.884 4.147 47 HB2 LEU 7 HB2 LEU 7 25.099 1.437 4.047 48 HB3 LEU 7 HB3 LEU 7 25.652 0.581 5.486 49 HD11 LEU 7 HD11 LEU 7 25.087 3.619 5.235 50 HD12 LEU 7 HD12 LEU 7 25.482 2.689 6.700 51 HD13 LEU 7 HD13 LEU 7 26.466 4.086 6.245 52 HD21 LEU 7 HD23 LEU 7 28.503 2.863 6.255 53 HD22 LEU 7 HD21 LEU 7 27.720 1.337 6.717 54 HD23 LEU 7 HD22 LEU 7 28.757 1.422 5.275 55 H LYS 8 H LYS 8 24.708 -0.600 2.260 56 HA LYS 8 HA LYS 8 23.749 -2.905 3.555 57 HB2 LYS 8 HB2 LYS 8 22.839 -1.469 1.502 58 HB3 LYS 8 HB3 LYS 8 23.652 -2.706 0.542 59 HG2 LYS 8 HG2 LYS 8 22.271 -4.404 1.986 60 HG3 LYS 8 HG3 LYS 8 21.356 -2.973 2.501 61 HD2 LYS 8 HD2 LYS 8 21.226 -2.502 -0.124 62 HD3 LYS 8 HD3 LYS 8 21.594 -4.235 -0.240 63 HE2 LYS 8 HE2 LYS 8 19.622 -4.680 1.273 64 HE3 LYS 8 HE3 LYS 8 19.274 -2.944 1.265 65 HZ1 LYS 8 HZ3 LYS 8 17.946 -4.067 -0.389 66 HZ2 LYS 8 HZ1 LYS 8 19.023 -3.088 -1.154 67 HZ3 LYS 8 HZ2 LYS 8 19.278 -4.710 -1.110 68 H ASP 9 H ASP 9 26.165 -2.747 0.947 69 HA ASP 9 HA ASP 9 26.728 -5.595 0.843 70 HB2 ASP 9 HB2 ASP 9 28.182 -3.096 -0.108 71 HB3 ASP 9 HB3 ASP 9 28.876 -4.698 -0.298 72 H GLY 10 H GLY 10 27.418 -3.451 3.398 73 HA2 GLY 10 HA2 GLY 10 28.491 -4.239 5.364 74 HA3 GLY 10 HA3 GLY 10 29.626 -5.183 4.409 75 H GLY 11 H GLY 11 29.389 -2.118 2.973 76 HA2 GLY 11 HA2 GLY 11 30.886 -0.476 2.691 77 HA3 GLY 11 HA3 GLY 11 30.707 -0.232 4.419 78 HA PRO 12 HA PRO 12 35.184 -0.892 4.448 79 HB2 PRO 12 HB2 PRO 12 34.748 -1.723 7.309 80 HB3 PRO 12 HB3 PRO 12 35.930 -0.559 6.634 81 HG2 PRO 12 HG2 PRO 12 33.700 0.321 7.908 82 HG3 PRO 12 HG3 PRO 12 34.263 1.123 6.405 83 HD2 PRO 12 HD2 PRO 12 32.075 -0.952 6.719 84 HD3 PRO 12 HD3 PRO 12 32.055 0.580 5.800 85 H SER 13 H SER 13 32.933 -3.386 5.750 86 HA SER 13 HA SER 13 34.835 -5.548 5.799 87 HG SER 13 HG SER 13 33.433 -5.838 7.820 88 HB2 SER 13 HB2 SER 13 31.803 -5.608 5.497 89 HB3 SER 13 HB3 SER 13 32.835 -6.978 5.936 90 H SER 14 H SER 14 32.832 -4.150 3.187 91 HA SER 14 HA SER 14 33.115 -6.410 1.406 92 HG SER 14 HG SER 14 30.437 -4.980 1.751 93 HB2 SER 14 HB2 SER 14 32.540 -3.651 0.392 94 HB3 SER 14 HB3 SER 14 31.772 -5.186 -0.034 95 H GLY 15 H GLY 15 35.190 -3.779 2.254 96 HA2 GLY 15 HA2 GLY 15 37.255 -3.112 1.493 97 HA3 GLY 15 HA3 GLY 15 37.281 -4.525 0.439 98 H ARG 16 H ARG 16 34.565 -2.631 -0.254 99 HA ARG 16 HA ARG 16 35.660 -1.738 -2.817 100 HE ARG 16 HE ARG 16 30.726 -1.877 -3.572 101 HB2 ARG 16 HB2 ARG 16 33.448 -2.696 -2.731 102 HB3 ARG 16 HB3 ARG 16 32.909 -1.530 -1.529 103 HG2 ARG 16 HG2 ARG 16 32.296 -0.042 -3.105 104 HG3 ARG 16 HG3 ARG 16 33.864 -0.091 -3.882 105 HD2 ARG 16 HD2 ARG 16 32.261 -0.715 -5.508 106 HD3 ARG 16 HD3 ARG 16 33.224 -2.144 -5.100 107 HH11 ARG 16 HH11 ARG 16 32.072 -3.199 -6.504 108 HH12 ARG 16 HH12 ARG 16 30.800 -4.372 -6.708 109 HH21 ARG 16 HH21 ARG 16 29.052 -3.392 -3.848 110 HH22 ARG 16 HH22 ARG 16 29.142 -4.471 -5.192 111 HA PRO 17 HA PRO 17 36.989 2.383 -1.552 112 HB2 PRO 17 HB2 PRO 17 35.844 2.968 -4.294 113 HB3 PRO 17 HB3 PRO 17 37.305 3.659 -3.519 114 HG2 PRO 17 HG2 PRO 17 37.536 1.598 -5.254 115 HG3 PRO 17 HG3 PRO 17 38.484 1.587 -3.731 116 HD2 PRO 17 HD2 PRO 17 35.984 0.067 -4.413 117 HD3 PRO 17 HD3 PRO 17 37.388 -0.441 -3.433 118 HA PRO 18 HA PRO 18 32.929 3.804 -0.091 119 HB2 PRO 18 HB2 PRO 18 33.784 5.923 1.487 120 HB3 PRO 18 HB3 PRO 18 33.763 4.214 1.983 121 HG2 PRO 18 HG2 PRO 18 36.083 5.823 0.922 122 HG3 PRO 18 HG3 PRO 18 36.061 4.658 2.285 123 HD2 PRO 18 HD2 PRO 18 36.977 3.995 -0.185 124 HD3 PRO 18 HD3 PRO 18 36.091 2.810 0.825 125 HA PRO 19 HA PRO 19 32.548 7.264 -3.014 126 HB2 PRO 19 HB2 PRO 19 29.857 7.349 -3.294 127 HB3 PRO 19 HB3 PRO 19 30.847 6.015 -3.955 128 HG2 PRO 19 HG2 PRO 19 29.224 6.039 -1.407 129 HG3 PRO 19 HG3 PRO 19 29.342 4.752 -2.636 130 HD2 PRO 19 HD2 PRO 19 30.823 4.818 -0.272 131 HD3 PRO 19 HD3 PRO 19 31.338 3.957 -1.753 132 H SER 20 H SER 20 33.478 8.716 -1.501 133 HA SER 20 HA SER 20 31.578 10.734 -0.441 134 HG SER 20 HG SER 20 34.646 10.109 0.344 135 HB2 SER 20 HB2 SER 20 32.768 10.892 1.676 136 HB3 SER 20 HB3 SER 20 32.251 9.195 1.481 Start of MODEL 13 1 HA ASP 1 HA ASP 1 24.017 8.131 -4.572 2 H1 ASP 1 H1 ASP 1 24.869 8.806 -2.455 3 H2 ASP 1 H2 ASP 1 26.366 9.064 -3.079 4 H3 ASP 1 H3 ASP 1 25.106 10.039 -3.532 5 HB2 ASP 1 HB2 ASP 1 25.590 9.770 -5.751 6 HB3 ASP 1 HB3 ASP 1 26.834 8.515 -5.640 7 H ALA 2 H ALA 2 24.049 5.876 -4.932 8 HA ALA 2 HA ALA 2 24.130 3.768 -4.175 9 HB1 ALA 2 HB3 ALA 2 26.151 2.651 -4.861 10 HB2 ALA 2 HB1 ALA 2 25.794 3.984 -5.975 11 HB3 ALA 2 HB2 ALA 2 27.074 4.170 -4.760 12 H TYR 3 H TYR 3 25.670 5.836 -2.044 13 HA TYR 3 HA TYR 3 27.058 4.361 -0.289 14 HD1 TYR 3 HD1 TYR 3 26.161 5.431 2.983 15 HD2 TYR 3 HD2 TYR 3 28.740 7.256 0.039 16 HE1 TYR 3 HE1 TYR 3 28.062 5.415 4.603 17 HE2 TYR 3 HE2 TYR 3 30.623 7.167 1.614 18 HH TYR 3 HH TYR 3 31.337 6.420 3.664 19 HB2 TYR 3 HB2 TYR 3 26.461 6.928 -0.450 20 HB3 TYR 3 HB3 TYR 3 25.280 6.552 0.796 21 H ALA 4 H ALA 4 23.510 4.539 -0.247 22 HA ALA 4 HA ALA 4 23.045 3.272 2.262 23 HB1 ALA 4 HB3 ALA 4 20.821 2.821 1.387 24 HB2 ALA 4 HB1 ALA 4 21.321 4.436 0.856 25 HB3 ALA 4 HB2 ALA 4 21.368 3.072 -0.284 26 H GLN 5 H GLN 5 23.579 1.891 -1.007 27 HA GLN 5 HA GLN 5 23.327 -0.857 -0.199 28 HB2 GLN 5 HB2 GLN 5 23.301 0.313 -2.621 29 HB3 GLN 5 HB3 GLN 5 25.026 -0.032 -2.546 30 HG2 GLN 5 HG2 GLN 5 24.279 -1.986 -3.511 31 HG3 GLN 5 HG3 GLN 5 24.170 -2.480 -1.823 32 HE21 GLN 5 HE22 GLN 5 21.862 -2.312 -0.788 33 HE22 GLN 5 HE21 GLN 5 20.540 -2.385 -1.969 34 H TRP 6 H TRP 6 26.121 1.334 -0.674 35 HA TRP 6 HA TRP 6 28.229 -0.400 -0.040 36 HD1 TRP 6 HD1 TRP 6 30.868 0.914 -1.093 37 HE1 TRP 6 HE1 TRP 6 33.015 0.976 0.300 38 HE3 TRP 6 HE3 TRP 6 28.936 2.866 3.223 39 HZ2 TRP 6 HZ2 TRP 6 33.804 1.876 2.916 40 HZ3 TRP 6 HZ3 TRP 6 30.433 3.386 5.136 41 HH2 TRP 6 HH2 TRP 6 32.861 2.904 4.996 42 HB2 TRP 6 HB2 TRP 6 28.450 1.970 -0.807 43 HB3 TRP 6 HB3 TRP 6 27.995 2.514 0.801 44 H LEU 7 H LEU 7 26.277 1.493 2.323 45 HA LEU 7 HA LEU 7 27.433 0.249 4.653 46 HG LEU 7 HG LEU 7 26.753 3.070 4.077 47 HB2 LEU 7 HB2 LEU 7 24.714 1.537 4.207 48 HB3 LEU 7 HB3 LEU 7 25.300 1.002 5.781 49 HD11 LEU 7 HD11 LEU 7 24.537 3.902 4.703 50 HD12 LEU 7 HD12 LEU 7 24.828 3.463 6.402 51 HD13 LEU 7 HD13 LEU 7 25.795 4.737 5.629 52 HD21 LEU 7 HD23 LEU 7 27.888 3.632 6.205 53 HD22 LEU 7 HD21 LEU 7 27.024 2.318 7.024 54 HD23 LEU 7 HD22 LEU 7 28.211 1.959 5.751 55 H LYS 8 H LYS 8 24.374 -0.592 2.906 56 HA LYS 8 HA LYS 8 23.641 -2.796 4.524 57 HB2 LYS 8 HB2 LYS 8 23.207 -2.324 1.543 58 HB3 LYS 8 HB3 LYS 8 22.550 -3.697 2.402 59 HG2 LYS 8 HG2 LYS 8 21.742 -1.511 3.995 60 HG3 LYS 8 HG3 LYS 8 21.614 -0.914 2.339 61 HD2 LYS 8 HD2 LYS 8 19.492 -1.874 2.805 62 HD3 LYS 8 HD3 LYS 8 20.322 -3.022 1.758 63 HE2 LYS 8 HE2 LYS 8 19.391 -4.392 3.429 64 HE3 LYS 8 HE3 LYS 8 21.080 -4.224 3.920 65 HZ1 LYS 8 HZ3 LYS 8 19.633 -3.874 5.795 66 HZ2 LYS 8 HZ1 LYS 8 20.349 -2.438 5.432 67 HZ3 LYS 8 HZ2 LYS 8 18.783 -2.706 5.010 68 H ASP 9 H ASP 9 25.920 -2.845 1.799 69 HA ASP 9 HA ASP 9 26.288 -5.702 1.807 70 HB2 ASP 9 HB2 ASP 9 28.086 -3.450 0.841 71 HB3 ASP 9 HB3 ASP 9 28.305 -5.165 0.466 72 H GLY 10 H GLY 10 27.334 -3.442 4.142 73 HA2 GLY 10 HA2 GLY 10 28.452 -4.371 6.134 74 HA3 GLY 10 HA3 GLY 10 29.563 -5.240 5.076 75 H GLY 11 H GLY 11 28.720 -1.920 4.225 76 HA2 GLY 11 HA2 GLY 11 29.993 -0.041 4.036 77 HA3 GLY 11 HA3 GLY 11 30.668 -0.436 5.612 78 HA PRO 12 HA PRO 12 34.249 -0.679 2.828 79 HB2 PRO 12 HB2 PRO 12 36.267 -0.712 4.662 80 HB3 PRO 12 HB3 PRO 12 35.311 0.755 4.311 81 HG2 PRO 12 HG2 PRO 12 34.962 -1.191 6.601 82 HG3 PRO 12 HG3 PRO 12 34.967 0.601 6.652 83 HD2 PRO 12 HD2 PRO 12 32.670 -0.925 6.572 84 HD3 PRO 12 HD3 PRO 12 32.762 0.716 5.882 85 H SER 13 H SER 13 33.188 -3.088 5.120 86 HA SER 13 HA SER 13 35.251 -5.042 4.806 87 HG SER 13 HG SER 13 33.992 -7.254 4.843 88 HB2 SER 13 HB2 SER 13 33.411 -5.070 6.553 89 HB3 SER 13 HB3 SER 13 32.296 -5.589 5.266 90 H SER 14 H SER 14 32.881 -3.967 2.586 91 HA SER 14 HA SER 14 32.632 -6.363 0.960 92 HG SER 14 HG SER 14 30.872 -3.551 1.843 93 HB2 SER 14 HB2 SER 14 32.153 -3.491 0.138 94 HB3 SER 14 HB3 SER 14 31.414 -4.958 -0.542 95 H GLY 15 H GLY 15 35.229 -4.113 1.299 96 HA2 GLY 15 HA2 GLY 15 37.201 -3.939 0.092 97 HA3 GLY 15 HA3 GLY 15 36.611 -5.146 -1.048 98 H ARG 16 H ARG 16 34.494 -2.478 -0.651 99 HA ARG 16 HA ARG 16 35.405 -1.238 -3.207 100 HE ARG 16 HE ARG 16 29.713 -3.187 -1.332 101 HB2 ARG 16 HB2 ARG 16 32.968 -0.296 -3.200 102 HB3 ARG 16 HB3 ARG 16 33.347 -1.896 -3.829 103 HG2 ARG 16 HG2 ARG 16 32.508 -3.001 -1.929 104 HG3 ARG 16 HG3 ARG 16 32.320 -1.496 -0.997 105 HD2 ARG 16 HD2 ARG 16 30.348 -0.953 -2.023 106 HD3 ARG 16 HD3 ARG 16 30.858 -1.569 -3.587 107 HH11 ARG 16 HH11 ARG 16 30.239 -2.913 -4.780 108 HH12 ARG 16 HH12 ARG 16 29.409 -4.414 -5.104 109 HH21 ARG 16 HH21 ARG 16 28.313 -4.676 -2.001 110 HH22 ARG 16 HH22 ARG 16 28.568 -5.611 -3.431 111 HA PRO 17 HA PRO 17 36.515 2.313 -0.703 112 HB2 PRO 17 HB2 PRO 17 36.089 3.713 -3.353 113 HB3 PRO 17 HB3 PRO 17 37.416 3.928 -2.169 114 HG2 PRO 17 HG2 PRO 17 37.802 2.426 -4.388 115 HG3 PRO 17 HG3 PRO 17 38.417 1.852 -2.803 116 HD2 PRO 17 HD2 PRO 17 35.908 1.010 -4.264 117 HD3 PRO 17 HD3 PRO 17 37.111 0.012 -3.388 118 HA PRO 18 HA PRO 18 32.422 3.984 0.181 119 HB2 PRO 18 HB2 PRO 18 33.146 6.244 1.661 120 HB3 PRO 18 HB3 PRO 18 32.988 4.589 2.287 121 HG2 PRO 18 HG2 PRO 18 35.478 6.054 1.431 122 HG3 PRO 18 HG3 PRO 18 35.256 4.946 2.823 123 HD2 PRO 18 HD2 PRO 18 36.454 4.172 0.500 124 HD3 PRO 18 HD3 PRO 18 35.442 3.046 1.453 125 HA PRO 19 HA PRO 19 32.316 7.209 -3.021 126 HB2 PRO 19 HB2 PRO 19 29.683 7.152 -3.670 127 HB3 PRO 19 HB3 PRO 19 30.798 5.814 -4.055 128 HG2 PRO 19 HG2 PRO 19 28.865 5.995 -1.741 129 HG3 PRO 19 HG3 PRO 19 29.143 4.624 -2.847 130 HD2 PRO 19 HD2 PRO 19 30.340 4.863 -0.351 131 HD3 PRO 19 HD3 PRO 19 31.067 3.965 -1.715 132 H SER 20 H SER 20 32.968 8.393 -0.891 133 HA SER 20 HA SER 20 31.329 10.831 -0.731 134 HG SER 20 HG SER 20 29.796 10.353 0.601 135 HB2 SER 20 HB2 SER 20 32.087 9.139 1.692 136 HB3 SER 20 HB3 SER 20 31.855 10.892 1.807 Start of MODEL 14 1 HA ASP 1 HA ASP 1 23.457 8.375 -4.239 2 H1 ASP 1 H1 ASP 1 21.554 7.200 -5.268 3 H2 ASP 1 H2 ASP 1 20.915 6.998 -3.753 4 H3 ASP 1 H3 ASP 1 21.085 8.518 -4.364 5 HB2 ASP 1 HB2 ASP 1 23.715 8.188 -1.818 6 HB3 ASP 1 HB3 ASP 1 22.176 8.989 -2.169 7 H ALA 2 H ALA 2 25.315 7.039 -3.326 8 HA ALA 2 HA ALA 2 24.937 4.113 -3.838 9 HB1 ALA 2 HB3 ALA 2 27.615 4.441 -3.948 10 HB2 ALA 2 HB1 ALA 2 26.548 4.626 -5.346 11 HB3 ALA 2 HB2 ALA 2 27.118 6.061 -4.470 12 H TYR 3 H TYR 3 25.539 6.379 -1.285 13 HA TYR 3 HA TYR 3 27.251 4.781 0.348 14 HD1 TYR 3 HD1 TYR 3 28.973 6.334 1.702 15 HD2 TYR 3 HD2 TYR 3 25.075 6.528 3.548 16 HE1 TYR 3 HE1 TYR 3 30.030 6.163 3.940 17 HE2 TYR 3 HE2 TYR 3 26.151 6.417 5.797 18 HH TYR 3 HH TYR 3 29.616 6.563 6.247 19 HB2 TYR 3 HB2 TYR 3 26.893 7.254 0.516 20 HB3 TYR 3 HB3 TYR 3 25.301 6.946 1.199 21 H ALA 4 H ALA 4 23.612 5.007 0.207 22 HA ALA 4 HA ALA 4 23.092 3.234 2.351 23 HB1 ALA 4 HB3 ALA 4 20.942 2.858 1.178 24 HB2 ALA 4 HB1 ALA 4 21.382 4.578 1.195 25 HB3 ALA 4 HB2 ALA 4 21.601 3.627 -0.285 26 H GLN 5 H GLN 5 23.846 2.474 -1.082 27 HA GLN 5 HA GLN 5 23.520 -0.376 -0.717 28 HB2 GLN 5 HB2 GLN 5 23.530 1.024 -2.960 29 HB3 GLN 5 HB3 GLN 5 25.284 0.792 -2.874 30 HG2 GLN 5 HG2 GLN 5 24.471 -1.771 -2.344 31 HG3 GLN 5 HG3 GLN 5 23.069 -1.213 -3.255 32 HE21 GLN 5 HE22 GLN 5 26.403 -2.382 -3.446 33 HE22 GLN 5 HE21 GLN 5 26.312 -2.239 -5.241 34 H TRP 6 H TRP 6 26.376 1.808 -0.725 35 HA TRP 6 HA TRP 6 28.405 -0.086 -0.276 36 HD1 TRP 6 HD1 TRP 6 31.081 1.230 -0.986 37 HE1 TRP 6 HE1 TRP 6 33.131 0.935 0.520 38 HE3 TRP 6 HE3 TRP 6 28.979 2.686 3.436 39 HZ2 TRP 6 HZ2 TRP 6 33.815 1.501 3.279 40 HZ3 TRP 6 HZ3 TRP 6 30.371 2.875 5.485 41 HH2 TRP 6 HH2 TRP 6 32.790 2.309 5.414 42 HB2 TRP 6 HB2 TRP 6 28.717 2.355 -0.693 43 HB3 TRP 6 HB3 TRP 6 28.165 2.693 0.944 44 H LEU 7 H LEU 7 26.353 1.518 2.217 45 HA LEU 7 HA LEU 7 27.344 -0.027 4.416 46 HG LEU 7 HG LEU 7 26.759 2.822 4.255 47 HB2 LEU 7 HB2 LEU 7 24.683 1.349 3.940 48 HB3 LEU 7 HB3 LEU 7 25.098 0.564 5.462 49 HD11 LEU 7 HD11 LEU 7 24.583 3.711 4.722 50 HD12 LEU 7 HD12 LEU 7 24.484 2.850 6.279 51 HD13 LEU 7 HD13 LEU 7 25.632 4.181 6.071 52 HD21 LEU 7 HD23 LEU 7 27.688 3.032 6.507 53 HD22 LEU 7 HD21 LEU 7 26.675 1.693 7.088 54 HD23 LEU 7 HD22 LEU 7 27.976 1.395 5.915 55 H LYS 8 H LYS 8 24.518 -0.747 2.258 56 HA LYS 8 HA LYS 8 23.761 -3.201 3.499 57 HB2 LYS 8 HB2 LYS 8 23.673 -2.409 0.556 58 HB3 LYS 8 HB3 LYS 8 23.130 -3.966 1.154 59 HG2 LYS 8 HG2 LYS 8 21.551 -2.646 2.726 60 HG3 LYS 8 HG3 LYS 8 21.914 -1.255 1.684 61 HD2 LYS 8 HD2 LYS 8 21.398 -3.165 -0.222 62 HD3 LYS 8 HD3 LYS 8 20.408 -3.792 1.103 63 HE2 LYS 8 HE2 LYS 8 19.283 -1.545 1.240 64 HE3 LYS 8 HE3 LYS 8 20.287 -0.999 -0.115 65 HZ1 LYS 8 HZ3 LYS 8 18.160 -1.744 -0.931 66 HZ2 LYS 8 HZ1 LYS 8 19.310 -2.802 -1.445 67 HZ3 LYS 8 HZ2 LYS 8 18.320 -3.210 -0.200 68 H ASP 9 H ASP 9 26.337 -2.672 1.106 69 HA ASP 9 HA ASP 9 27.052 -5.469 0.909 70 HB2 ASP 9 HB2 ASP 9 28.594 -2.976 0.098 71 HB3 ASP 9 HB3 ASP 9 28.973 -4.633 -0.382 72 H GLY 10 H GLY 10 27.099 -4.193 3.684 73 HA2 GLY 10 HA2 GLY 10 28.162 -4.756 5.649 74 HA3 GLY 10 HA3 GLY 10 29.461 -5.544 4.753 75 H GLY 11 H GLY 11 28.495 -2.230 4.067 76 HA2 GLY 11 HA2 GLY 11 29.702 -0.289 3.983 77 HA3 GLY 11 HA3 GLY 11 30.254 -0.665 5.611 78 HA PRO 12 HA PRO 12 34.124 -0.977 3.286 79 HB2 PRO 12 HB2 PRO 12 35.917 -1.205 5.325 80 HB3 PRO 12 HB3 PRO 12 35.039 0.308 4.966 81 HG2 PRO 12 HG2 PRO 12 34.424 -1.736 7.103 82 HG3 PRO 12 HG3 PRO 12 34.410 0.052 7.219 83 HD2 PRO 12 HD2 PRO 12 32.157 -1.532 6.794 84 HD3 PRO 12 HD3 PRO 12 32.280 0.180 6.310 85 H SER 13 H SER 13 32.628 -3.546 5.030 86 HA SER 13 HA SER 13 34.655 -5.480 5.223 87 HG SER 13 HG SER 13 33.444 -7.720 4.657 88 HB2 SER 13 HB2 SER 13 32.368 -5.631 6.237 89 HB3 SER 13 HB3 SER 13 31.720 -5.988 4.621 90 H SER 14 H SER 14 32.823 -4.591 2.309 91 HA SER 14 HA SER 14 33.721 -6.942 0.801 92 HG SER 14 HG SER 14 30.824 -4.837 1.162 93 HB2 SER 14 HB2 SER 14 32.543 -5.320 -1.019 94 HB3 SER 14 HB3 SER 14 31.660 -6.466 -0.013 95 H GLY 15 H GLY 15 35.234 -4.026 1.628 96 HA2 GLY 15 HA2 GLY 15 37.301 -3.272 0.963 97 HA3 GLY 15 HA3 GLY 15 37.322 -4.453 -0.343 98 H ARG 16 H ARG 16 34.577 -3.060 -1.084 99 HA ARG 16 HA ARG 16 35.463 -1.289 -3.134 100 HE ARG 16 HE ARG 16 29.833 -1.423 -2.817 101 HB2 ARG 16 HB2 ARG 16 33.085 -0.658 -3.353 102 HB3 ARG 16 HB3 ARG 16 33.391 -2.387 -3.360 103 HG2 ARG 16 HG2 ARG 16 32.816 -2.012 -0.688 104 HG3 ARG 16 HG3 ARG 16 31.860 -0.730 -1.406 105 HD2 ARG 16 HD2 ARG 16 31.760 -3.648 -2.236 106 HD3 ARG 16 HD3 ARG 16 30.678 -2.906 -1.055 107 HH11 ARG 16 HH11 ARG 16 30.989 -4.599 -3.696 108 HH12 ARG 16 HH12 ARG 16 29.913 -4.722 -5.061 109 HH21 ARG 16 HH21 ARG 16 28.436 -1.681 -4.479 110 HH22 ARG 16 HH22 ARG 16 28.615 -3.020 -5.582 111 HA PRO 17 HA PRO 17 36.614 2.187 -0.527 112 HB2 PRO 17 HB2 PRO 17 36.324 3.673 -3.144 113 HB3 PRO 17 HB3 PRO 17 37.620 3.797 -1.915 114 HG2 PRO 17 HG2 PRO 17 38.010 2.350 -4.172 115 HG3 PRO 17 HG3 PRO 17 38.563 1.710 -2.590 116 HD2 PRO 17 HD2 PRO 17 36.062 1.000 -4.136 117 HD3 PRO 17 HD3 PRO 17 37.210 -0.067 -3.268 118 HA PRO 18 HA PRO 18 32.484 3.818 0.188 119 HB2 PRO 18 HB2 PRO 18 33.131 5.936 1.924 120 HB3 PRO 18 HB3 PRO 18 32.812 4.250 2.378 121 HG2 PRO 18 HG2 PRO 18 35.453 5.628 1.953 122 HG3 PRO 18 HG3 PRO 18 35.022 4.389 3.175 123 HD2 PRO 18 HD2 PRO 18 36.446 3.809 0.922 124 HD3 PRO 18 HD3 PRO 18 35.286 2.642 1.625 125 HA PRO 19 HA PRO 19 32.420 7.315 -2.650 126 HB2 PRO 19 HB2 PRO 19 29.748 7.753 -2.828 127 HB3 PRO 19 HB3 PRO 19 30.523 6.285 -3.498 128 HG2 PRO 19 HG2 PRO 19 29.077 6.576 -0.846 129 HG3 PRO 19 HG3 PRO 19 28.896 5.286 -2.071 130 HD2 PRO 19 HD2 PRO 19 30.511 5.045 0.148 131 HD3 PRO 19 HD3 PRO 19 30.869 4.233 -1.406 132 H SER 20 H SER 20 33.375 9.049 -1.696 133 HA SER 20 HA SER 20 31.674 10.998 -0.263 134 HG SER 20 HG SER 20 34.880 10.660 -0.270 135 HB2 SER 20 HB2 SER 20 33.322 11.363 1.474 136 HB3 SER 20 HB3 SER 20 32.951 9.618 1.475 Start of MODEL 15 1 HA ASP 1 HA ASP 1 22.221 7.226 -3.247 2 H1 ASP 1 H1 ASP 1 23.968 8.527 -2.375 3 H2 ASP 1 H2 ASP 1 24.816 8.493 -3.803 4 H3 ASP 1 H3 ASP 1 23.385 9.277 -3.744 5 HB2 ASP 1 HB2 ASP 1 23.684 7.435 -5.898 6 HB3 ASP 1 HB3 ASP 1 22.259 6.425 -5.579 7 H ALA 2 H ALA 2 25.198 6.176 -4.984 8 HA ALA 2 HA ALA 2 25.149 3.562 -4.354 9 HB1 ALA 2 HB3 ALA 2 27.608 3.630 -4.820 10 HB2 ALA 2 HB1 ALA 2 26.655 4.580 -5.969 11 HB3 ALA 2 HB2 ALA 2 27.567 5.392 -4.674 12 H TYR 3 H TYR 3 26.223 5.995 -2.054 13 HA TYR 3 HA TYR 3 27.611 4.389 -0.187 14 HD1 TYR 3 HD2 TYR 3 26.173 5.710 2.978 15 HD2 TYR 3 HD1 TYR 3 29.466 6.923 0.475 16 HE1 TYR 3 HE2 TYR 3 27.708 5.756 4.960 17 HE2 TYR 3 HE1 TYR 3 30.977 6.918 2.415 18 HH TYR 3 HH TYR 3 31.090 6.757 4.709 19 HB2 TYR 3 HB2 TYR 3 27.262 6.978 -0.377 20 HB3 TYR 3 HB3 TYR 3 25.844 6.705 0.622 21 H ALA 4 H ALA 4 24.097 4.755 -0.727 22 HA ALA 4 HA ALA 4 23.194 3.605 1.745 23 HB1 ALA 4 HB3 ALA 4 21.084 3.291 0.512 24 HB2 ALA 4 HB1 ALA 4 21.757 4.899 0.183 25 HB3 ALA 4 HB2 ALA 4 21.907 3.609 -1.029 26 H GLN 5 H GLN 5 24.016 2.182 -1.435 27 HA GLN 5 HA GLN 5 23.491 -0.546 -0.604 28 HB2 GLN 5 HB2 GLN 5 23.608 0.417 -3.035 29 HB3 GLN 5 HB3 GLN 5 25.361 0.217 -2.856 30 HG2 GLN 5 HG2 GLN 5 24.667 -2.230 -2.012 31 HG3 GLN 5 HG3 GLN 5 23.161 -1.870 -2.847 32 HE21 GLN 5 HE22 GLN 5 26.400 -2.986 -3.178 33 HE22 GLN 5 HE21 GLN 5 26.289 -3.109 -4.956 34 H TRP 6 H TRP 6 26.448 1.488 -0.851 35 HA TRP 6 HA TRP 6 28.377 -0.393 -0.088 36 HD1 TRP 6 HD1 TRP 6 31.059 0.615 -1.030 37 HE1 TRP 6 HE1 TRP 6 33.226 0.717 0.345 38 HE3 TRP 6 HE3 TRP 6 29.201 2.880 3.169 39 HZ2 TRP 6 HZ2 TRP 6 34.001 1.568 2.988 40 HZ3 TRP 6 HZ3 TRP 6 30.682 3.329 5.108 41 HH2 TRP 6 HH2 TRP 6 33.078 2.676 5.034 42 HB2 TRP 6 HB2 TRP 6 28.742 1.989 -0.820 43 HB3 TRP 6 HB3 TRP 6 28.280 2.509 0.795 44 H LEU 7 H LEU 7 26.415 1.631 2.187 45 HA LEU 7 HA LEU 7 27.335 0.288 4.554 46 HG LEU 7 HG LEU 7 26.795 3.206 4.008 47 HB2 LEU 7 HB2 LEU 7 24.738 1.743 3.962 48 HB3 LEU 7 HB3 LEU 7 25.177 1.134 5.558 49 HD11 LEU 7 HD11 LEU 7 24.612 4.078 4.681 50 HD12 LEU 7 HD12 LEU 7 24.838 3.463 6.335 51 HD13 LEU 7 HD13 LEU 7 25.860 4.773 5.727 52 HD21 LEU 7 HD23 LEU 7 27.922 3.591 6.190 53 HD22 LEU 7 HD21 LEU 7 27.039 2.217 6.887 54 HD23 LEU 7 HD22 LEU 7 28.228 1.966 5.588 55 H LYS 8 H LYS 8 24.456 -0.471 2.512 56 HA LYS 8 HA LYS 8 23.510 -2.692 4.038 57 HB2 LYS 8 HB2 LYS 8 23.398 -2.095 1.061 58 HB3 LYS 8 HB3 LYS 8 22.668 -3.532 1.762 59 HG2 LYS 8 HG2 LYS 8 21.153 -2.225 3.123 60 HG3 LYS 8 HG3 LYS 8 21.976 -0.722 2.698 61 HD2 LYS 8 HD2 LYS 8 19.976 -0.825 1.384 62 HD3 LYS 8 HD3 LYS 8 21.344 -1.087 0.294 63 HE2 LYS 8 HE2 LYS 8 20.931 -3.590 0.518 64 HE3 LYS 8 HE3 LYS 8 19.485 -3.210 1.465 65 HZ1 LYS 8 HZ3 LYS 8 18.915 -3.562 -0.835 66 HZ2 LYS 8 HZ1 LYS 8 18.661 -1.976 -0.481 67 HZ3 LYS 8 HZ2 LYS 8 19.985 -2.427 -1.347 68 H ASP 9 H ASP 9 26.059 -2.632 1.564 69 HA ASP 9 HA ASP 9 26.582 -5.488 1.709 70 HB2 ASP 9 HB2 ASP 9 28.219 -3.233 0.494 71 HB3 ASP 9 HB3 ASP 9 28.467 -4.962 0.224 72 H GLY 10 H GLY 10 26.887 -3.746 4.247 73 HA2 GLY 10 HA2 GLY 10 28.020 -4.250 6.214 74 HA3 GLY 10 HA3 GLY 10 29.244 -5.147 5.318 75 H GLY 11 H GLY 11 28.416 -1.899 4.294 76 HA2 GLY 11 HA2 GLY 11 29.629 0.026 4.119 77 HA3 GLY 11 HA3 GLY 11 30.228 -0.272 5.747 78 HA PRO 12 HA PRO 12 34.006 -0.842 3.305 79 HB2 PRO 12 HB2 PRO 12 35.861 -1.009 5.295 80 HB3 PRO 12 HB3 PRO 12 35.036 0.517 4.866 81 HG2 PRO 12 HG2 PRO 12 34.390 -1.374 7.135 82 HG3 PRO 12 HG3 PRO 12 34.485 0.416 7.161 83 HD2 PRO 12 HD2 PRO 12 32.125 -1.017 6.907 84 HD3 PRO 12 HD3 PRO 12 32.348 0.632 6.258 85 H SER 13 H SER 13 32.506 -3.219 5.304 86 HA SER 13 HA SER 13 34.451 -5.238 5.499 87 HG SER 13 HG SER 13 33.424 -7.155 6.433 88 HB2 SER 13 HB2 SER 13 32.207 -5.186 6.618 89 HB3 SER 13 HB3 SER 13 31.463 -5.613 5.063 90 H SER 14 H SER 14 32.334 -4.495 2.707 91 HA SER 14 HA SER 14 33.072 -6.799 1.151 92 HG SER 14 HG SER 14 30.376 -4.733 1.642 93 HB2 SER 14 HB2 SER 14 32.152 -4.783 -0.579 94 HB3 SER 14 HB3 SER 14 31.217 -6.109 0.105 95 H GLY 15 H GLY 15 34.987 -4.095 1.956 96 HA2 GLY 15 HA2 GLY 15 37.040 -3.440 1.190 97 HA3 GLY 15 HA3 GLY 15 37.017 -4.783 0.050 98 H ARG 16 H ARG 16 34.308 -2.903 -0.521 99 HA ARG 16 HA ARG 16 35.330 -1.862 -3.027 100 HE ARG 16 HE ARG 16 30.883 1.003 -4.037 101 HB2 ARG 16 HB2 ARG 16 33.119 -2.715 -2.971 102 HB3 ARG 16 HB3 ARG 16 32.658 -1.702 -1.596 103 HG2 ARG 16 HG2 ARG 16 32.634 0.285 -2.915 104 HG3 ARG 16 HG3 ARG 16 33.427 -0.505 -4.291 105 HD2 ARG 16 HD2 ARG 16 31.543 -1.622 -4.966 106 HD3 ARG 16 HD3 ARG 16 30.859 -1.710 -3.330 107 HH11 ARG 16 HH11 ARG 16 29.295 -1.872 -5.229 108 HH12 ARG 16 HH12 ARG 16 27.779 -1.067 -5.535 109 HH21 ARG 16 HH21 ARG 16 28.907 2.005 -4.404 110 HH22 ARG 16 HH22 ARG 16 27.608 1.110 -5.145 111 HA PRO 17 HA PRO 17 36.912 2.098 -1.665 112 HB2 PRO 17 HB2 PRO 17 35.686 2.941 -4.304 113 HB3 PRO 17 HB3 PRO 17 37.238 3.454 -3.569 114 HG2 PRO 17 HG2 PRO 17 37.205 1.504 -5.441 115 HG3 PRO 17 HG3 PRO 17 38.220 1.310 -3.973 116 HD2 PRO 17 HD2 PRO 17 35.544 0.080 -4.596 117 HD3 PRO 17 HD3 PRO 17 36.961 -0.638 -3.775 118 HA PRO 18 HA PRO 18 33.011 3.749 0.044 119 HB2 PRO 18 HB2 PRO 18 34.111 5.693 1.680 120 HB3 PRO 18 HB3 PRO 18 33.975 3.972 2.099 121 HG2 PRO 18 HG2 PRO 18 36.375 5.438 1.019 122 HG3 PRO 18 HG3 PRO 18 36.308 4.211 2.325 123 HD2 PRO 18 HD2 PRO 18 37.065 3.615 -0.220 124 HD3 PRO 18 HD3 PRO 18 36.151 2.444 0.781 125 HA PRO 19 HA PRO 19 33.067 7.317 -2.824 126 HB2 PRO 19 HB2 PRO 19 30.365 7.654 -3.120 127 HB3 PRO 19 HB3 PRO 19 31.297 6.383 -3.964 128 HG2 PRO 19 HG2 PRO 19 29.529 6.110 -1.551 129 HG3 PRO 19 HG3 PRO 19 29.760 4.976 -2.906 130 HD2 PRO 19 HD2 PRO 19 31.016 4.808 -0.392 131 HD3 PRO 19 HD3 PRO 19 31.577 3.991 -1.879 132 H SER 20 H SER 20 32.789 9.599 -2.450 133 HA SER 20 HA SER 20 31.121 10.727 -0.407 134 HG SER 20 HG SER 20 32.250 9.091 0.883 135 HB2 SER 20 HB2 SER 20 34.126 10.538 0.075 136 HB3 SER 20 HB3 SER 20 33.090 11.768 0.837 Start of MODEL 16 1 HA ASP 1 HA ASP 1 25.120 8.835 -3.911 2 H1 ASP 1 H1 ASP 1 24.101 8.686 -6.048 3 H2 ASP 1 H2 ASP 1 22.607 8.554 -5.391 4 H3 ASP 1 H3 ASP 1 23.442 9.979 -5.244 5 HB2 ASP 1 HB2 ASP 1 23.029 10.041 -2.997 6 HB3 ASP 1 HB3 ASP 1 22.354 8.432 -2.724 7 H ALA 2 H ALA 2 25.617 6.871 -2.711 8 HA ALA 2 HA ALA 2 24.174 4.416 -3.453 9 HB1 ALA 2 HB3 ALA 2 26.215 3.236 -4.166 10 HB2 ALA 2 HB1 ALA 2 25.854 4.610 -5.224 11 HB3 ALA 2 HB2 ALA 2 27.150 4.740 -4.022 12 H TYR 3 H TYR 3 25.115 6.240 -0.941 13 HA TYR 3 HA TYR 3 26.910 4.657 0.581 14 HD1 TYR 3 HD1 TYR 3 28.555 6.526 1.755 15 HD2 TYR 3 HD2 TYR 3 24.893 5.985 3.970 16 HE1 TYR 3 HE1 TYR 3 29.867 6.282 3.850 17 HE2 TYR 3 HE2 TYR 3 26.216 5.813 6.085 18 HH TYR 3 HH TYR 3 29.755 5.659 6.081 19 HB2 TYR 3 HB2 TYR 3 26.305 7.120 0.815 20 HB3 TYR 3 HB3 TYR 3 24.831 6.612 1.625 21 H ALA 4 H ALA 4 23.350 4.714 0.524 22 HA ALA 4 HA ALA 4 22.804 2.891 2.621 23 HB1 ALA 4 HB3 ALA 4 20.666 2.546 1.470 24 HB2 ALA 4 HB1 ALA 4 21.110 4.261 1.402 25 HB3 ALA 4 HB2 ALA 4 21.323 3.230 -0.031 26 H GLN 5 H GLN 5 23.600 2.236 -0.809 27 HA GLN 5 HA GLN 5 23.366 -0.645 -0.529 28 HB2 GLN 5 HB2 GLN 5 23.089 0.808 -2.666 29 HB3 GLN 5 HB3 GLN 5 24.858 0.791 -2.747 30 HG2 GLN 5 HG2 GLN 5 24.807 -1.712 -2.737 31 HG3 GLN 5 HG3 GLN 5 23.041 -1.670 -2.635 32 HE21 GLN 5 HE22 GLN 5 21.820 -0.761 -4.519 33 HE22 GLN 5 HE21 GLN 5 22.644 -0.787 -6.077 34 H TRP 6 H TRP 6 26.092 1.700 -0.579 35 HA TRP 6 HA TRP 6 28.248 -0.081 -0.322 36 HD1 TRP 6 HD1 TRP 6 30.801 1.052 -0.922 37 HE1 TRP 6 HE1 TRP 6 32.920 1.007 0.545 38 HE3 TRP 6 HE3 TRP 6 28.832 2.859 3.462 39 HZ2 TRP 6 HZ2 TRP 6 33.711 1.912 3.116 40 HZ3 TRP 6 HZ3 TRP 6 30.315 3.243 5.419 41 HH2 TRP 6 HH2 TRP 6 32.760 2.821 5.249 42 HB2 TRP 6 HB2 TRP 6 28.419 2.384 -0.599 43 HB3 TRP 6 HB3 TRP 6 27.900 2.603 1.067 44 H LEU 7 H LEU 7 26.241 1.243 2.365 45 HA LEU 7 HA LEU 7 27.442 -0.339 4.430 46 HG LEU 7 HG LEU 7 26.456 2.516 4.284 47 HB2 LEU 7 HB2 LEU 7 24.617 0.747 4.163 48 HB3 LEU 7 HB3 LEU 7 25.276 0.046 5.639 49 HD11 LEU 7 HD11 LEU 7 24.185 2.983 5.014 50 HD12 LEU 7 HD12 LEU 7 24.496 2.237 6.601 51 HD13 LEU 7 HD13 LEU 7 25.319 3.736 6.144 52 HD21 LEU 7 HD23 LEU 7 27.574 2.882 6.427 53 HD22 LEU 7 HD21 LEU 7 26.885 1.377 7.075 54 HD23 LEU 7 HD22 LEU 7 28.067 1.329 5.745 55 H LYS 8 H LYS 8 24.684 -1.156 2.262 56 HA LYS 8 HA LYS 8 24.051 -3.678 3.459 57 HB2 LYS 8 HB2 LYS 8 23.733 -2.761 0.568 58 HB3 LYS 8 HB3 LYS 8 23.146 -4.286 1.190 59 HG2 LYS 8 HG2 LYS 8 22.212 -2.253 2.998 60 HG3 LYS 8 HG3 LYS 8 21.922 -1.659 1.365 61 HD2 LYS 8 HD2 LYS 8 21.067 -4.425 2.324 62 HD3 LYS 8 HD3 LYS 8 20.043 -2.982 2.421 63 HE2 LYS 8 HE2 LYS 8 20.272 -2.662 -0.042 64 HE3 LYS 8 HE3 LYS 8 21.213 -4.158 -0.142 65 HZ1 LYS 8 HZ3 LYS 8 18.844 -4.484 -0.642 66 HZ2 LYS 8 HZ1 LYS 8 19.300 -5.367 0.669 67 HZ3 LYS 8 HZ2 LYS 8 18.435 -3.984 0.870 68 H ASP 9 H ASP 9 26.551 -2.940 1.031 69 HA ASP 9 HA ASP 9 27.445 -5.703 0.819 70 HB2 ASP 9 HB2 ASP 9 28.776 -3.067 0.102 71 HB3 ASP 9 HB3 ASP 9 29.464 -4.650 -0.261 72 H GLY 10 H GLY 10 27.408 -4.223 3.685 73 HA2 GLY 10 HA2 GLY 10 28.635 -4.765 5.612 74 HA3 GLY 10 HA3 GLY 10 29.879 -5.540 4.629 75 H GLY 11 H GLY 11 28.874 -2.343 3.690 76 HA2 GLY 11 HA2 GLY 11 29.934 -0.326 3.597 77 HA3 GLY 11 HA3 GLY 11 30.411 -0.618 5.261 78 HA PRO 12 HA PRO 12 34.408 -0.529 3.139 79 HB2 PRO 12 HB2 PRO 12 36.080 -0.388 5.288 80 HB3 PRO 12 HB3 PRO 12 35.033 0.969 4.792 81 HG2 PRO 12 HG2 PRO 12 34.564 -1.032 7.007 82 HG3 PRO 12 HG3 PRO 12 34.305 0.742 7.022 83 HD2 PRO 12 HD2 PRO 12 32.314 -1.150 6.565 84 HD3 PRO 12 HD3 PRO 12 32.240 0.534 5.987 85 H SER 13 H SER 13 33.160 -3.148 5.006 86 HA SER 13 HA SER 13 35.582 -4.682 5.260 87 HG SER 13 HG SER 13 35.156 -6.242 6.870 88 HB2 SER 13 HB2 SER 13 33.409 -4.759 6.649 89 HB3 SER 13 HB3 SER 13 32.768 -5.805 5.371 90 H SER 14 H SER 14 33.385 -4.337 2.598 91 HA SER 14 HA SER 14 34.265 -6.843 1.282 92 HG SER 14 HG SER 14 30.995 -6.131 1.612 93 HB2 SER 14 HB2 SER 14 32.194 -4.750 0.569 94 HB3 SER 14 HB3 SER 14 32.627 -6.102 -0.502 95 H GLY 15 H GLY 15 36.060 -4.284 1.653 96 HA2 GLY 15 HA2 GLY 15 37.865 -3.456 0.430 97 HA3 GLY 15 HA3 GLY 15 37.493 -4.640 -0.823 98 H ARG 16 H ARG 16 34.903 -2.518 -0.052 99 HA ARG 16 HA ARG 16 35.176 -1.271 -2.721 100 HE ARG 16 HE ARG 16 29.944 -1.744 -2.392 101 HB2 ARG 16 HB2 ARG 16 33.250 -2.822 -2.067 102 HB3 ARG 16 HB3 ARG 16 32.618 -1.509 -1.068 103 HG2 ARG 16 HG2 ARG 16 32.161 -0.143 -2.988 104 HG3 ARG 16 HG3 ARG 16 33.344 -1.012 -3.959 105 HD2 ARG 16 HD2 ARG 16 31.545 -1.829 -4.928 106 HD3 ARG 16 HD3 ARG 16 31.761 -3.081 -3.721 107 HH11 ARG 16 HH11 ARG 16 29.942 -2.052 -5.886 108 HH12 ARG 16 HH12 ARG 16 28.213 -1.809 -5.988 109 HH21 ARG 16 HH21 ARG 16 27.624 -1.971 -2.753 110 HH22 ARG 16 HH22 ARG 16 27.017 -1.405 -4.257 111 HA PRO 17 HA PRO 17 36.000 2.478 -0.477 112 HB2 PRO 17 HB2 PRO 17 36.017 4.350 -2.485 113 HB3 PRO 17 HB3 PRO 17 37.304 3.127 -2.259 114 HG2 PRO 17 HG2 PRO 17 34.943 3.020 -4.154 115 HG3 PRO 17 HG3 PRO 17 36.663 2.653 -4.500 116 HD2 PRO 17 HD2 PRO 17 34.813 0.717 -3.945 117 HD3 PRO 17 HD3 PRO 17 36.525 0.555 -3.446 118 HA PRO 18 HA PRO 18 31.908 4.066 0.298 119 HB2 PRO 18 HB2 PRO 18 32.457 6.365 1.747 120 HB3 PRO 18 HB3 PRO 18 32.509 4.708 2.397 121 HG2 PRO 18 HG2 PRO 18 34.801 6.401 1.390 122 HG3 PRO 18 HG3 PRO 18 34.738 5.367 2.854 123 HD2 PRO 18 HD2 PRO 18 35.924 4.553 0.532 124 HD3 PRO 18 HD3 PRO 18 35.048 3.405 1.591 125 HA PRO 19 HA PRO 19 31.503 7.163 -2.972 126 HB2 PRO 19 HB2 PRO 19 28.812 7.243 -3.227 127 HB3 PRO 19 HB3 PRO 19 29.743 5.767 -3.616 128 HG2 PRO 19 HG2 PRO 19 28.285 6.397 -1.021 129 HG3 PRO 19 HG3 PRO 19 28.185 4.906 -2.011 130 HD2 PRO 19 HD2 PRO 19 29.842 5.128 0.154 131 HD3 PRO 19 HD3 PRO 19 30.250 4.136 -1.279 132 H SER 20 H SER 20 32.547 8.601 -1.241 133 HA SER 20 HA SER 20 30.830 10.952 -0.802 134 HG SER 20 HG SER 20 29.702 10.837 0.959 135 HB2 SER 20 HB2 SER 20 31.268 9.110 1.313 136 HB3 SER 20 HB3 SER 20 32.431 10.414 1.607 Start of MODEL 17 1 HA ASP 1 HA ASP 1 25.439 8.237 -4.767 2 H1 ASP 1 H1 ASP 1 23.353 8.348 -5.840 3 H2 ASP 1 H2 ASP 1 22.539 8.460 -4.406 4 H3 ASP 1 H3 ASP 1 23.527 9.702 -4.880 5 HB2 ASP 1 HB2 ASP 1 23.803 8.966 -2.329 6 HB3 ASP 1 HB3 ASP 1 25.439 8.274 -2.206 7 H ALA 2 H ALA 2 26.374 6.356 -4.071 8 HA ALA 2 HA ALA 2 24.594 3.999 -3.897 9 HB1 ALA 2 HB3 ALA 2 26.670 2.767 -4.438 10 HB2 ALA 2 HB1 ALA 2 26.311 4.030 -5.628 11 HB3 ALA 2 HB2 ALA 2 27.582 4.290 -4.425 12 H TYR 3 H TYR 3 25.865 6.059 -1.649 13 HA TYR 3 HA TYR 3 27.337 4.559 0.164 14 HD1 TYR 3 HD1 TYR 3 29.031 6.119 1.333 15 HD2 TYR 3 HD2 TYR 3 25.199 6.701 3.235 16 HE1 TYR 3 HE1 TYR 3 30.130 6.083 3.571 17 HE2 TYR 3 HE2 TYR 3 26.316 6.728 5.460 18 HH TYR 3 HH TYR 3 28.772 5.515 6.317 19 HB2 TYR 3 HB2 TYR 3 26.948 7.048 0.121 20 HB3 TYR 3 HB3 TYR 3 25.369 6.776 0.845 21 H ALA 4 H ALA 4 23.777 4.856 0.064 22 HA ALA 4 HA ALA 4 23.119 3.353 2.369 23 HB1 ALA 4 HB3 ALA 4 20.948 3.000 1.197 24 HB2 ALA 4 HB1 ALA 4 21.489 4.686 1.109 25 HB3 ALA 4 HB2 ALA 4 21.661 3.622 -0.305 26 H GLN 5 H GLN 5 23.681 2.209 -0.998 27 HA GLN 5 HA GLN 5 23.280 -0.570 -0.334 28 HB2 GLN 5 HB2 GLN 5 23.164 0.613 -2.677 29 HB3 GLN 5 HB3 GLN 5 24.915 0.380 -2.695 30 HG2 GLN 5 HG2 GLN 5 23.979 -2.138 -1.893 31 HG3 GLN 5 HG3 GLN 5 22.695 -1.585 -2.962 32 HE21 GLN 5 HE22 GLN 5 25.805 -3.084 -2.813 33 HE22 GLN 5 HE21 GLN 5 26.072 -2.989 -4.567 34 H TRP 6 H TRP 6 26.193 1.503 -0.712 35 HA TRP 6 HA TRP 6 28.207 -0.395 -0.313 36 HD1 TRP 6 HD1 TRP 6 30.827 0.733 -1.346 37 HE1 TRP 6 HE1 TRP 6 33.091 0.727 -0.067 38 HE3 TRP 6 HE3 TRP 6 29.263 2.652 3.138 39 HZ2 TRP 6 HZ2 TRP 6 34.018 1.280 2.552 40 HZ3 TRP 6 HZ3 TRP 6 30.883 2.937 5.004 41 HH2 TRP 6 HH2 TRP 6 33.255 2.267 4.721 42 HB2 TRP 6 HB2 TRP 6 28.519 2.022 -0.882 43 HB3 TRP 6 HB3 TRP 6 28.160 2.441 0.786 44 H LEU 7 H LEU 7 26.485 1.414 2.282 45 HA LEU 7 HA LEU 7 27.647 -0.066 4.463 46 HG LEU 7 HG LEU 7 27.077 2.865 4.101 47 HB2 LEU 7 HB2 LEU 7 24.993 1.402 4.199 48 HB3 LEU 7 HB3 LEU 7 25.598 0.737 5.715 49 HD11 LEU 7 HD11 LEU 7 24.994 3.795 4.868 50 HD12 LEU 7 HD12 LEU 7 25.182 3.062 6.479 51 HD13 LEU 7 HD13 LEU 7 26.263 4.366 5.966 52 HD21 LEU 7 HD23 LEU 7 28.364 3.201 6.157 53 HD22 LEU 7 HD21 LEU 7 27.458 1.910 6.975 54 HD23 LEU 7 HD22 LEU 7 28.546 1.533 5.622 55 H LYS 8 H LYS 8 24.642 -0.664 2.593 56 HA LYS 8 HA LYS 8 23.681 -2.863 4.105 57 HB2 LYS 8 HB2 LYS 8 22.435 -1.550 2.396 58 HB3 LYS 8 HB3 LYS 8 23.378 -2.337 1.122 59 HG2 LYS 8 HG2 LYS 8 22.445 -4.484 1.612 60 HG3 LYS 8 HG3 LYS 8 21.659 -3.890 3.088 61 HD2 LYS 8 HD2 LYS 8 20.035 -2.689 1.940 62 HD3 LYS 8 HD3 LYS 8 20.997 -2.518 0.470 63 HE2 LYS 8 HE2 LYS 8 19.946 -5.210 1.417 64 HE3 LYS 8 HE3 LYS 8 18.990 -4.126 0.394 65 HZ1 LYS 8 HZ3 LYS 8 20.249 -5.725 -0.927 66 HZ2 LYS 8 HZ1 LYS 8 20.744 -4.191 -1.253 67 HZ3 LYS 8 HZ2 LYS 8 21.671 -5.166 -0.313 68 H ASP 9 H ASP 9 26.078 -2.893 1.462 69 HA ASP 9 HA ASP 9 26.445 -5.788 1.535 70 HB2 ASP 9 HB2 ASP 9 28.071 -3.497 0.377 71 HB3 ASP 9 HB3 ASP 9 28.557 -5.187 0.244 72 H GLY 10 H GLY 10 27.262 -3.550 3.933 73 HA2 GLY 10 HA2 GLY 10 28.365 -4.258 5.930 74 HA3 GLY 10 HA3 GLY 10 29.432 -5.306 5.003 75 H GLY 11 H GLY 11 29.056 -2.228 3.515 76 HA2 GLY 11 HA2 GLY 11 30.420 -0.484 3.156 77 HA3 GLY 11 HA3 GLY 11 30.551 -0.396 4.902 78 HA PRO 12 HA PRO 12 34.958 -0.990 4.067 79 HB2 PRO 12 HB2 PRO 12 35.024 -2.036 6.891 80 HB3 PRO 12 HB3 PRO 12 36.080 -0.820 6.109 81 HG2 PRO 12 HG2 PRO 12 34.113 -0.052 7.817 82 HG3 PRO 12 HG3 PRO 12 34.418 0.868 6.308 83 HD2 PRO 12 HD2 PRO 12 32.285 -1.217 6.838 84 HD3 PRO 12 HD3 PRO 12 32.140 0.375 6.036 85 H SER 13 H SER 13 32.917 -3.554 5.466 86 HA SER 13 HA SER 13 34.694 -5.769 5.303 87 HG SER 13 HG SER 13 31.880 -7.849 5.656 88 HB2 SER 13 HB2 SER 13 32.433 -5.670 6.439 89 HB3 SER 13 HB3 SER 13 31.691 -5.795 4.829 90 H SER 14 H SER 14 32.567 -4.303 2.804 91 HA SER 14 HA SER 14 32.936 -6.270 0.804 92 HG SER 14 HG SER 14 30.288 -3.605 0.908 93 HB2 SER 14 HB2 SER 14 32.408 -3.373 0.162 94 HB3 SER 14 HB3 SER 14 31.676 -4.834 -0.525 95 H GLY 15 H GLY 15 35.144 -3.833 1.908 96 HA2 GLY 15 HA2 GLY 15 37.132 -3.019 1.137 97 HA3 GLY 15 HA3 GLY 15 37.184 -4.388 0.030 98 H ARG 16 H ARG 16 34.446 -2.572 -0.667 99 HA ARG 16 HA ARG 16 35.525 -1.481 -3.148 100 HE ARG 16 HE ARG 16 30.758 -1.381 -4.857 101 HB2 ARG 16 HB2 ARG 16 33.252 -2.448 -3.020 102 HB3 ARG 16 HB3 ARG 16 32.806 -1.278 -1.791 103 HG2 ARG 16 HG2 ARG 16 31.892 -0.118 -3.470 104 HG3 ARG 16 HG3 ARG 16 33.496 0.458 -3.797 105 HD2 ARG 16 HD2 ARG 16 33.290 -0.308 -5.866 106 HD3 ARG 16 HD3 ARG 16 33.384 -1.961 -5.243 107 HH11 ARG 16 HH11 ARG 16 32.681 -1.082 -7.763 108 HH12 ARG 16 HH12 ARG 16 31.292 -1.098 -8.817 109 HH21 ARG 16 HH21 ARG 16 29.001 -1.381 -6.229 110 HH22 ARG 16 HH22 ARG 16 29.247 -1.297 -7.943 111 HA PRO 17 HA PRO 17 36.659 2.661 -1.619 112 HB2 PRO 17 HB2 PRO 17 35.575 3.346 -4.361 113 HB3 PRO 17 HB3 PRO 17 37.006 4.013 -3.516 114 HG2 PRO 17 HG2 PRO 17 37.307 2.079 -5.382 115 HG3 PRO 17 HG3 PRO 17 38.232 1.985 -3.847 116 HD2 PRO 17 HD2 PRO 17 35.731 0.492 -4.638 117 HD3 PRO 17 HD3 PRO 17 37.169 -0.092 -3.747 118 HA PRO 18 HA PRO 18 32.415 3.752 -0.369 119 HB2 PRO 18 HB2 PRO 18 33.023 5.766 1.439 120 HB3 PRO 18 HB3 PRO 18 33.061 4.028 1.799 121 HG2 PRO 18 HG2 PRO 18 35.359 5.840 1.067 122 HG3 PRO 18 HG3 PRO 18 35.303 4.561 2.323 123 HD2 PRO 18 HD2 PRO 18 36.442 4.181 -0.128 124 HD3 PRO 18 HD3 PRO 18 35.592 2.857 0.729 125 HA PRO 19 HA PRO 19 32.041 7.515 -2.933 126 HB2 PRO 19 HB2 PRO 19 29.359 7.611 -3.220 127 HB3 PRO 19 HB3 PRO 19 30.328 6.309 -3.975 128 HG2 PRO 19 HG2 PRO 19 28.780 6.187 -1.365 129 HG3 PRO 19 HG3 PRO 19 28.774 5.009 -2.707 130 HD2 PRO 19 HD2 PRO 19 30.350 4.755 -0.458 131 HD3 PRO 19 HD3 PRO 19 30.813 4.095 -2.056 132 H SER 20 H SER 20 32.996 8.612 -1.084 133 HA SER 20 HA SER 20 31.170 9.887 0.879 134 HG SER 20 HG SER 20 32.467 11.720 1.529 135 HB2 SER 20 HB2 SER 20 33.414 9.080 1.652 136 HB3 SER 20 HB3 SER 20 34.167 10.273 0.547 Start of MODEL 18 1 HA ASP 1 HA ASP 1 24.395 8.667 -3.564 2 H1 ASP 1 H1 ASP 1 24.124 8.607 -5.914 3 H2 ASP 1 H2 ASP 1 22.530 8.238 -5.785 4 H3 ASP 1 H3 ASP 1 23.072 9.729 -5.306 5 HB2 ASP 1 HB2 ASP 1 22.016 9.548 -3.258 6 HB3 ASP 1 HB3 ASP 1 21.474 7.873 -3.343 7 H ALA 2 H ALA 2 25.241 6.823 -2.775 8 HA ALA 2 HA ALA 2 24.135 4.200 -3.450 9 HB1 ALA 2 HB3 ALA 2 26.269 3.326 -4.336 10 HB2 ALA 2 HB1 ALA 2 25.643 4.644 -5.341 11 HB3 ALA 2 HB2 ALA 2 26.989 4.950 -4.221 12 H TYR 3 H TYR 3 24.983 6.151 -1.016 13 HA TYR 3 HA TYR 3 27.134 4.643 0.271 14 HD1 TYR 3 HD1 TYR 3 26.386 5.229 3.698 15 HD2 TYR 3 HD2 TYR 3 28.771 7.525 0.937 16 HE1 TYR 3 HE1 TYR 3 28.297 5.205 5.304 17 HE2 TYR 3 HE2 TYR 3 30.668 7.489 2.521 18 HH TYR 3 HH TYR 3 31.291 6.994 4.696 19 HB2 TYR 3 HB2 TYR 3 26.515 7.180 0.463 20 HB3 TYR 3 HB3 TYR 3 25.384 6.652 1.697 21 H ALA 4 H ALA 4 23.610 4.794 0.589 22 HA ALA 4 HA ALA 4 23.229 3.176 2.877 23 HB1 ALA 4 HB3 ALA 4 21.023 2.685 1.886 24 HB2 ALA 4 HB1 ALA 4 21.428 4.402 1.697 25 HB3 ALA 4 HB2 ALA 4 21.570 3.299 0.311 26 H GLN 5 H GLN 5 23.652 2.190 -0.540 27 HA GLN 5 HA GLN 5 23.578 -0.627 -0.021 28 HB2 GLN 5 HB2 GLN 5 23.311 0.802 -2.272 29 HB3 GLN 5 HB3 GLN 5 25.050 0.534 -2.394 30 HG2 GLN 5 HG2 GLN 5 23.902 -1.224 -3.607 31 HG3 GLN 5 HG3 GLN 5 24.615 -1.943 -2.168 32 HE21 GLN 5 HE22 GLN 5 21.469 -0.683 -3.525 33 HE22 GLN 5 HE21 GLN 5 20.548 -1.716 -2.418 34 H TRP 6 H TRP 6 26.305 1.704 -0.280 35 HA TRP 6 HA TRP 6 28.460 -0.106 0.007 36 HD1 TRP 6 HD1 TRP 6 31.077 1.379 -0.866 37 HE1 TRP 6 HE1 TRP 6 33.227 1.124 0.450 38 HE3 TRP 6 HE3 TRP 6 29.263 2.692 3.715 39 HZ2 TRP 6 HZ2 TRP 6 34.111 1.749 3.132 40 HZ3 TRP 6 HZ3 TRP 6 30.823 2.978 5.630 41 HH2 TRP 6 HH2 TRP 6 33.242 2.504 5.357 42 HB2 TRP 6 HB2 TRP 6 28.666 2.369 -0.373 43 HB3 TRP 6 HB3 TRP 6 28.238 2.637 1.310 44 H LEU 7 H LEU 7 26.556 1.401 2.665 45 HA LEU 7 HA LEU 7 27.758 -0.222 4.734 46 HG LEU 7 HG LEU 7 27.122 2.693 4.576 47 HB2 LEU 7 HB2 LEU 7 25.069 1.189 4.606 48 HB3 LEU 7 HB3 LEU 7 25.718 0.422 6.054 49 HD11 LEU 7 HD11 LEU 7 24.986 3.467 5.474 50 HD12 LEU 7 HD12 LEU 7 25.378 2.776 7.067 51 HD13 LEU 7 HD13 LEU 7 26.330 4.128 6.418 52 HD21 LEU 7 HD23 LEU 7 28.416 2.916 6.675 53 HD22 LEU 7 HD21 LEU 7 27.577 1.506 7.354 54 HD23 LEU 7 HD22 LEU 7 28.663 1.321 5.961 55 H LYS 8 H LYS 8 24.702 -0.699 2.888 56 HA LYS 8 HA LYS 8 23.853 -2.991 4.246 57 HB2 LYS 8 HB2 LYS 8 22.777 -1.460 2.278 58 HB3 LYS 8 HB3 LYS 8 23.311 -2.808 1.291 59 HG2 LYS 8 HG2 LYS 8 21.031 -3.175 1.889 60 HG3 LYS 8 HG3 LYS 8 21.979 -4.338 2.830 61 HD2 LYS 8 HD2 LYS 8 21.754 -2.942 4.848 62 HD3 LYS 8 HD3 LYS 8 21.061 -1.624 3.901 63 HE2 LYS 8 HE2 LYS 8 19.312 -2.743 5.134 64 HE3 LYS 8 HE3 LYS 8 19.074 -2.975 3.398 65 HZ1 LYS 8 HZ3 LYS 8 18.763 -5.030 4.669 66 HZ2 LYS 8 HZ1 LYS 8 20.017 -5.177 3.611 67 HZ3 LYS 8 HZ2 LYS 8 20.317 -4.963 5.210 68 H ASP 9 H ASP 9 26.060 -2.947 1.445 69 HA ASP 9 HA ASP 9 26.313 -5.817 1.257 70 HB2 ASP 9 HB2 ASP 9 27.891 -3.442 0.229 71 HB3 ASP 9 HB3 ASP 9 28.498 -5.081 0.028 72 H GLY 10 H GLY 10 27.389 -3.880 3.814 73 HA2 GLY 10 HA2 GLY 10 28.583 -5.033 5.644 74 HA3 GLY 10 HA3 GLY 10 29.665 -5.751 4.454 75 H GLY 11 H GLY 11 28.750 -2.376 4.065 76 HA2 GLY 11 HA2 GLY 11 29.986 -0.440 4.100 77 HA3 GLY 11 HA3 GLY 11 30.715 -1.048 5.572 78 HA PRO 12 HA PRO 12 34.226 -0.687 2.740 79 HB2 PRO 12 HB2 PRO 12 36.282 -1.056 4.511 80 HB3 PRO 12 HB3 PRO 12 35.302 0.434 4.470 81 HG2 PRO 12 HG2 PRO 12 34.998 -1.937 6.321 82 HG3 PRO 12 HG3 PRO 12 34.986 -0.191 6.732 83 HD2 PRO 12 HD2 PRO 12 32.702 -1.673 6.388 84 HD3 PRO 12 HD3 PRO 12 32.781 0.063 5.976 85 H SER 13 H SER 13 33.325 -3.579 4.480 86 HA SER 13 HA SER 13 35.461 -5.293 3.594 87 HG SER 13 HG SER 13 35.127 -5.762 5.886 88 HB2 SER 13 HB2 SER 13 32.632 -5.937 4.522 89 HB3 SER 13 HB3 SER 13 33.969 -7.095 4.379 90 H SER 14 H SER 14 33.188 -3.811 1.740 91 HA SER 14 HA SER 14 32.382 -6.040 0.047 92 HG SER 14 HG SER 14 31.118 -3.121 1.596 93 HB2 SER 14 HB2 SER 14 31.760 -3.142 -0.479 94 HB3 SER 14 HB3 SER 14 30.794 -4.580 -0.826 95 H GLY 15 H GLY 15 35.258 -4.561 0.019 96 HA2 GLY 15 HA2 GLY 15 36.950 -4.397 -1.565 97 HA3 GLY 15 HA3 GLY 15 35.874 -5.144 -2.743 98 H ARG 16 H ARG 16 34.623 -2.300 -1.323 99 HA ARG 16 HA ARG 16 35.342 -0.617 -3.676 100 HE ARG 16 HE ARG 16 30.290 -2.189 -3.845 101 HB2 ARG 16 HB2 ARG 16 32.987 0.310 -3.485 102 HB3 ARG 16 HB3 ARG 16 33.201 -1.265 -4.243 103 HG2 ARG 16 HG2 ARG 16 32.196 -2.436 -2.518 104 HG3 ARG 16 HG3 ARG 16 32.611 -1.231 -1.300 105 HD2 ARG 16 HD2 ARG 16 30.397 -0.890 -1.382 106 HD3 ARG 16 HD3 ARG 16 30.939 0.307 -2.583 107 HH11 ARG 16 HH11 ARG 16 28.746 0.558 -2.327 108 HH12 ARG 16 HH12 ARG 16 27.260 0.388 -3.211 109 HH21 ARG 16 HH21 ARG 16 28.323 -2.427 -4.942 110 HH22 ARG 16 HH22 ARG 16 27.034 -1.303 -4.656 111 HA PRO 17 HA PRO 17 36.746 2.130 -0.414 112 HB2 PRO 17 HB2 PRO 17 36.439 4.163 -2.637 113 HB3 PRO 17 HB3 PRO 17 37.790 3.966 -1.477 114 HG2 PRO 17 HG2 PRO 17 38.014 3.030 -4.009 115 HG3 PRO 17 HG3 PRO 17 38.599 2.040 -2.632 116 HD2 PRO 17 HD2 PRO 17 36.014 1.778 -4.175 117 HD3 PRO 17 HD3 PRO 17 37.135 0.506 -3.595 118 HA PRO 18 HA PRO 18 32.971 4.065 1.065 119 HB2 PRO 18 HB2 PRO 18 33.999 6.122 2.642 120 HB3 PRO 18 HB3 PRO 18 33.824 4.424 3.127 121 HG2 PRO 18 HG2 PRO 18 36.276 5.833 2.089 122 HG3 PRO 18 HG3 PRO 18 36.153 4.629 3.412 123 HD2 PRO 18 HD2 PRO 18 37.016 3.963 0.924 124 HD3 PRO 18 HD3 PRO 18 36.018 2.838 1.891 125 HA PRO 19 HA PRO 19 32.820 7.474 -1.966 126 HB2 PRO 19 HB2 PRO 19 30.205 7.367 -2.646 127 HB3 PRO 19 HB3 PRO 19 31.349 6.076 -3.107 128 HG2 PRO 19 HG2 PRO 19 29.407 6.080 -0.779 129 HG3 PRO 19 HG3 PRO 19 29.702 4.786 -1.977 130 HD2 PRO 19 HD2 PRO 19 30.899 4.895 0.526 131 HD3 PRO 19 HD3 PRO 19 31.629 4.088 -0.890 132 H SER 20 H SER 20 33.399 8.515 0.206 133 HA SER 20 HA SER 20 31.389 9.828 1.815 134 HG SER 20 HG SER 20 32.392 11.854 2.407 135 HB2 SER 20 HB2 SER 20 33.731 9.396 2.629 136 HB3 SER 20 HB3 SER 20 34.299 10.648 1.481 Start of MODEL 19 1 HA ASP 1 HA ASP 1 24.139 8.406 -5.018 2 H1 ASP 1 H1 ASP 1 25.045 9.130 -2.960 3 H2 ASP 1 H2 ASP 1 26.590 8.755 -3.438 4 H3 ASP 1 H3 ASP 1 25.757 9.923 -4.241 5 HB2 ASP 1 HB2 ASP 1 27.038 8.015 -5.748 6 HB3 ASP 1 HB3 ASP 1 25.723 7.199 -6.622 7 H ALA 2 H ALA 2 26.792 6.043 -4.495 8 HA ALA 2 HA ALA 2 24.672 4.112 -4.034 9 HB1 ALA 2 HB3 ALA 2 26.327 2.487 -4.583 10 HB2 ALA 2 HB1 ALA 2 26.539 3.860 -5.679 11 HB3 ALA 2 HB2 ALA 2 27.658 3.629 -4.323 12 H TYR 3 H TYR 3 25.665 5.998 -1.754 13 HA TYR 3 HA TYR 3 27.139 4.584 0.159 14 HD1 TYR 3 HD2 TYR 3 28.746 6.381 1.233 15 HD2 TYR 3 HD1 TYR 3 24.896 6.511 3.189 16 HE1 TYR 3 HE2 TYR 3 29.870 6.439 3.456 17 HE2 TYR 3 HE1 TYR 3 26.037 6.639 5.401 18 HH TYR 3 HH TYR 3 28.638 5.699 6.208 19 HB2 TYR 3 HB2 TYR 3 26.594 7.066 0.049 20 HB3 TYR 3 HB3 TYR 3 25.041 6.691 0.784 21 H ALA 4 H ALA 4 23.577 4.742 -0.127 22 HA ALA 4 HA ALA 4 22.872 3.185 2.135 23 HB1 ALA 4 HB3 ALA 4 20.780 2.747 0.817 24 HB2 ALA 4 HB1 ALA 4 21.238 4.459 0.853 25 HB3 ALA 4 HB2 ALA 4 21.548 3.488 -0.603 26 H GLN 5 H GLN 5 23.773 2.144 -1.171 27 HA GLN 5 HA GLN 5 23.366 -0.671 -0.633 28 HB2 GLN 5 HB2 GLN 5 23.420 0.763 -2.900 29 HB3 GLN 5 HB3 GLN 5 25.120 0.332 -2.887 30 HG2 GLN 5 HG2 GLN 5 24.684 -1.815 -3.508 31 HG3 GLN 5 HG3 GLN 5 23.398 -2.015 -2.325 32 HE21 GLN 5 HE22 GLN 5 21.244 -0.638 -2.937 33 HE22 GLN 5 HE21 GLN 5 20.873 -0.826 -4.658 34 H TRP 6 H TRP 6 26.210 1.481 -0.803 35 HA TRP 6 HA TRP 6 28.294 -0.306 -0.280 36 HD1 TRP 6 HD1 TRP 6 30.879 0.943 -1.044 37 HE1 TRP 6 HE1 TRP 6 32.983 0.885 0.439 38 HE3 TRP 6 HE3 TRP 6 28.883 2.931 3.219 39 HZ2 TRP 6 HZ2 TRP 6 33.702 1.666 3.110 40 HZ3 TRP 6 HZ3 TRP 6 30.326 3.342 5.202 41 HH2 TRP 6 HH2 TRP 6 32.729 2.726 5.157 42 HB2 TRP 6 HB2 TRP 6 28.508 2.126 -0.815 43 HB3 TRP 6 HB3 TRP 6 27.967 2.521 0.811 44 H LEU 7 H LEU 7 26.286 1.388 2.178 45 HA LEU 7 HA LEU 7 27.375 -0.018 4.439 46 HG LEU 7 HG LEU 7 26.679 2.855 3.986 47 HB2 LEU 7 HB2 LEU 7 24.661 1.282 3.981 48 HB3 LEU 7 HB3 LEU 7 25.210 0.679 5.544 49 HD11 LEU 7 HD11 LEU 7 24.511 3.710 4.519 50 HD12 LEU 7 HD12 LEU 7 24.556 3.014 6.158 51 HD13 LEU 7 HD13 LEU 7 25.629 4.357 5.733 52 HD21 LEU 7 HD23 LEU 7 27.772 3.331 6.112 53 HD22 LEU 7 HD21 LEU 7 26.868 2.027 6.912 54 HD23 LEU 7 HD22 LEU 7 28.080 1.653 5.665 55 H LYS 8 H LYS 8 24.542 -0.789 2.367 56 HA LYS 8 HA LYS 8 23.609 -3.052 3.780 57 HB2 LYS 8 HB2 LYS 8 22.609 -1.757 1.736 58 HB3 LYS 8 HB3 LYS 8 23.570 -2.871 0.752 59 HG2 LYS 8 HG2 LYS 8 22.386 -4.782 1.979 60 HG3 LYS 8 HG3 LYS 8 21.367 -3.548 2.734 61 HD2 LYS 8 HD2 LYS 8 21.312 -2.941 -0.041 62 HD3 LYS 8 HD3 LYS 8 21.257 -4.698 0.014 63 HE2 LYS 8 HE2 LYS 8 19.418 -2.838 1.591 64 HE3 LYS 8 HE3 LYS 8 19.019 -3.506 0.003 65 HZ1 LYS 8 HZ3 LYS 8 18.078 -4.830 1.795 66 HZ2 LYS 8 HZ1 LYS 8 19.166 -5.718 0.939 67 HZ3 LYS 8 HZ2 LYS 8 19.575 -5.124 2.416 68 H ASP 9 H ASP 9 26.108 -2.924 1.238 69 HA ASP 9 HA ASP 9 26.730 -5.754 1.259 70 HB2 ASP 9 HB2 ASP 9 28.293 -3.291 0.376 71 HB3 ASP 9 HB3 ASP 9 28.896 -4.933 0.186 72 H GLY 10 H GLY 10 27.288 -3.503 3.775 73 HA2 GLY 10 HA2 GLY 10 28.323 -4.161 5.809 74 HA3 GLY 10 HA3 GLY 10 29.454 -5.191 4.942 75 H GLY 11 H GLY 11 29.202 -2.136 3.392 76 HA2 GLY 11 HA2 GLY 11 30.639 -0.444 3.097 77 HA3 GLY 11 HA3 GLY 11 30.539 -0.256 4.838 78 HA PRO 12 HA PRO 12 35.026 -0.843 4.622 79 HB2 PRO 12 HB2 PRO 12 34.770 -1.703 7.491 80 HB3 PRO 12 HB3 PRO 12 35.869 -0.492 6.765 81 HG2 PRO 12 HG2 PRO 12 33.679 0.273 8.189 82 HG3 PRO 12 HG3 PRO 12 34.154 1.146 6.696 83 HD2 PRO 12 HD2 PRO 12 32.016 -0.971 7.037 84 HD3 PRO 12 HD3 PRO 12 31.948 0.577 6.148 85 H SER 13 H SER 13 32.813 -3.348 5.838 86 HA SER 13 HA SER 13 34.748 -5.507 5.948 87 HG SER 13 HG SER 13 33.044 -7.598 5.355 88 HB2 SER 13 HB2 SER 13 32.535 -5.450 7.152 89 HB3 SER 13 HB3 SER 13 31.728 -5.651 5.584 90 H SER 14 H SER 14 32.714 -4.145 3.345 91 HA SER 14 HA SER 14 32.959 -6.425 1.585 92 HG SER 14 HG SER 14 30.320 -5.051 2.117 93 HB2 SER 14 HB2 SER 14 32.306 -3.670 0.629 94 HB3 SER 14 HB3 SER 14 31.533 -5.207 0.204 95 H GLY 15 H GLY 15 34.884 -3.615 2.226 96 HA2 GLY 15 HA2 GLY 15 37.013 -3.071 1.525 97 HA3 GLY 15 HA3 GLY 15 36.984 -4.418 0.390 98 H ARG 16 H ARG 16 34.349 -3.007 -0.650 99 HA ARG 16 HA ARG 16 35.505 -1.522 -2.818 100 HE ARG 16 HE ARG 16 29.610 -2.588 -2.941 101 HB2 ARG 16 HB2 ARG 16 33.166 -0.773 -3.297 102 HB3 ARG 16 HB3 ARG 16 33.457 -2.498 -3.270 103 HG2 ARG 16 HG2 ARG 16 32.567 -1.784 -0.629 104 HG3 ARG 16 HG3 ARG 16 31.540 -0.931 -1.763 105 HD2 ARG 16 HD2 ARG 16 32.048 -3.925 -1.925 106 HD3 ARG 16 HD3 ARG 16 30.721 -3.194 -1.027 107 HH11 ARG 16 HH11 ARG 16 32.472 -4.398 -3.831 108 HH12 ARG 16 HH12 ARG 16 31.961 -4.605 -5.484 109 HH21 ARG 16 HH21 ARG 16 29.023 -2.818 -5.052 110 HH22 ARG 16 HH22 ARG 16 30.033 -3.696 -6.164 111 HA PRO 17 HA PRO 17 36.411 2.317 -0.713 112 HB2 PRO 17 HB2 PRO 17 35.976 3.503 -3.457 113 HB3 PRO 17 HB3 PRO 17 37.301 3.807 -2.293 114 HG2 PRO 17 HG2 PRO 17 37.680 2.162 -4.418 115 HG3 PRO 17 HG3 PRO 17 38.338 1.726 -2.808 116 HD2 PRO 17 HD2 PRO 17 35.833 0.704 -4.157 117 HD3 PRO 17 HD3 PRO 17 37.077 -0.185 -3.220 118 HA PRO 18 HA PRO 18 32.197 3.782 -0.078 119 HB2 PRO 18 HB2 PRO 18 32.722 6.077 1.436 120 HB3 PRO 18 HB3 PRO 18 32.576 4.417 2.057 121 HG2 PRO 18 HG2 PRO 18 35.073 5.957 1.364 122 HG3 PRO 18 HG3 PRO 18 34.787 4.861 2.754 123 HD2 PRO 18 HD2 PRO 18 36.174 4.084 0.545 124 HD3 PRO 18 HD3 PRO 18 35.104 2.945 1.419 125 HA PRO 19 HA PRO 19 32.006 6.940 -3.299 126 HB2 PRO 19 HB2 PRO 19 29.328 7.068 -3.683 127 HB3 PRO 19 HB3 PRO 19 30.278 5.613 -4.120 128 HG2 PRO 19 HG2 PRO 19 28.631 6.074 -1.611 129 HG3 PRO 19 HG3 PRO 19 28.669 4.631 -2.661 130 HD2 PRO 19 HD2 PRO 19 30.135 4.860 -0.341 131 HD3 PRO 19 HD3 PRO 19 30.649 3.864 -1.737 132 H SER 20 H SER 20 32.582 8.940 -2.682 133 HA SER 20 HA SER 20 30.838 10.573 -0.887 134 HG SER 20 HG SER 20 33.854 9.791 0.860 135 HB2 SER 20 HB2 SER 20 33.861 10.607 -1.202 136 HB3 SER 20 HB3 SER 20 32.911 11.742 -0.222 Start of MODEL 20 1 HA ASP 1 HA ASP 1 23.344 8.177 -4.943 2 H1 ASP 1 H1 ASP 1 24.559 8.742 -2.962 3 H2 ASP 1 H2 ASP 1 26.000 8.569 -3.754 4 H3 ASP 1 H3 ASP 1 24.948 9.746 -4.214 5 HB2 ASP 1 HB2 ASP 1 25.161 9.008 -6.457 6 HB3 ASP 1 HB3 ASP 1 26.052 7.514 -6.152 7 H ALA 2 H ALA 2 26.023 5.867 -5.113 8 HA ALA 2 HA ALA 2 24.351 3.790 -4.150 9 HB1 ALA 2 HB3 ALA 2 26.294 2.394 -4.704 10 HB2 ALA 2 HB1 ALA 2 25.978 3.597 -5.964 11 HB3 ALA 2 HB2 ALA 2 27.321 3.847 -4.823 12 H TYR 3 H TYR 3 25.565 5.914 -2.057 13 HA TYR 3 HA TYR 3 27.233 4.474 -0.276 14 HD1 TYR 3 HD2 TYR 3 26.234 5.615 2.975 15 HD2 TYR 3 HD1 TYR 3 28.932 7.290 0.050 16 HE1 TYR 3 HE2 TYR 3 28.013 5.788 4.701 17 HE2 TYR 3 HE1 TYR 3 30.705 7.428 1.765 18 HH TYR 3 HH TYR 3 30.087 6.845 5.173 19 HB2 TYR 3 HB2 TYR 3 26.661 7.040 -0.487 20 HB3 TYR 3 HB3 TYR 3 25.436 6.683 0.718 21 H ALA 4 H ALA 4 23.676 4.775 -0.298 22 HA ALA 4 HA ALA 4 23.125 3.492 2.185 23 HB1 ALA 4 HB3 ALA 4 20.906 3.069 1.191 24 HB2 ALA 4 HB1 ALA 4 21.449 4.718 0.830 25 HB3 ALA 4 HB2 ALA 4 21.532 3.462 -0.426 26 H GLN 5 H GLN 5 23.678 2.132 -1.083 27 HA GLN 5 HA GLN 5 23.352 -0.610 -0.241 28 HB2 GLN 5 HB2 GLN 5 23.209 0.484 -2.655 29 HB3 GLN 5 HB3 GLN 5 24.947 0.131 -2.688 30 HG2 GLN 5 HG2 GLN 5 24.387 -2.252 -2.013 31 HG3 GLN 5 HG3 GLN 5 22.671 -1.835 -2.131 32 HE21 GLN 5 HE22 GLN 5 24.452 -3.795 -3.700 33 HE22 GLN 5 HE21 GLN 5 24.056 -3.314 -5.361 34 H TRP 6 H TRP 6 26.191 1.516 -0.731 35 HA TRP 6 HA TRP 6 28.244 -0.300 -0.123 36 HD1 TRP 6 HD1 TRP 6 30.867 0.850 -1.153 37 HE1 TRP 6 HE1 TRP 6 33.026 0.829 0.272 38 HE3 TRP 6 HE3 TRP 6 29.043 2.858 3.200 39 HZ2 TRP 6 HZ2 TRP 6 33.881 1.755 2.795 40 HZ3 TRP 6 HZ3 TRP 6 30.580 3.282 5.111 41 HH2 TRP 6 HH2 TRP 6 32.999 2.759 4.916 42 HB2 TRP 6 HB2 TRP 6 28.508 2.085 -0.847 43 HB3 TRP 6 HB3 TRP 6 28.082 2.597 0.781 44 H LEU 7 H LEU 7 26.299 1.559 2.281 45 HA LEU 7 HA LEU 7 27.487 0.280 4.570 46 HG LEU 7 HG LEU 7 26.834 3.113 4.047 47 HB2 LEU 7 HB2 LEU 7 24.779 1.600 4.179 48 HB3 LEU 7 HB3 LEU 7 25.371 1.038 5.741 49 HD11 LEU 7 HD11 LEU 7 24.645 3.967 4.721 50 HD12 LEU 7 HD12 LEU 7 24.939 3.470 6.403 51 HD13 LEU 7 HD13 LEU 7 25.920 4.755 5.668 52 HD21 LEU 7 HD23 LEU 7 28.011 3.620 6.164 53 HD22 LEU 7 HD21 LEU 7 27.142 2.302 6.976 54 HD23 LEU 7 HD22 LEU 7 28.303 1.950 5.680 55 H LYS 8 H LYS 8 24.562 -0.650 2.705 56 HA LYS 8 HA LYS 8 23.687 -2.819 4.326 57 HB2 LYS 8 HB2 LYS 8 23.574 -2.333 1.343 58 HB3 LYS 8 HB3 LYS 8 22.852 -3.759 2.055 59 HG2 LYS 8 HG2 LYS 8 21.162 -2.612 3.128 60 HG3 LYS 8 HG3 LYS 8 22.054 -1.091 3.210 61 HD2 LYS 8 HD2 LYS 8 21.196 -0.360 1.261 62 HD3 LYS 8 HD3 LYS 8 21.683 -1.831 0.420 63 HE2 LYS 8 HE2 LYS 8 19.569 -2.880 1.580 64 HE3 LYS 8 HE3 LYS 8 19.058 -1.189 1.730 65 HZ1 LYS 8 HZ3 LYS 8 18.299 -2.141 -0.361 66 HZ2 LYS 8 HZ1 LYS 8 19.425 -0.984 -0.688 67 HZ3 LYS 8 HZ2 LYS 8 19.828 -2.572 -0.778 68 H ASP 9 H ASP 9 26.203 -2.859 1.794 69 HA ASP 9 HA ASP 9 26.772 -5.696 2.128 70 HB2 ASP 9 HB2 ASP 9 28.250 -3.452 0.708 71 HB3 ASP 9 HB3 ASP 9 28.720 -5.156 0.664 72 H GLY 10 H GLY 10 27.065 -3.750 4.589 73 HA2 GLY 10 HA2 GLY 10 28.302 -4.031 6.550 74 HA3 GLY 10 HA3 GLY 10 29.422 -5.107 5.711 75 H GLY 11 H GLY 11 28.618 -1.946 4.430 76 HA2 GLY 11 HA2 GLY 11 29.835 -0.060 3.986 77 HA3 GLY 11 HA3 GLY 11 30.589 -0.271 5.555 78 HA PRO 12 HA PRO 12 34.118 -0.870 2.795 79 HB2 PRO 12 HB2 PRO 12 36.154 -0.903 4.610 80 HB3 PRO 12 HB3 PRO 12 35.245 0.576 4.204 81 HG2 PRO 12 HG2 PRO 12 34.905 -1.221 6.605 82 HG3 PRO 12 HG3 PRO 12 34.890 0.570 6.528 83 HD2 PRO 12 HD2 PRO 12 32.619 -1.045 6.563 84 HD3 PRO 12 HD3 PRO 12 32.660 0.607 5.896 85 H SER 13 H SER 13 32.855 -3.192 4.955 86 HA SER 13 HA SER 13 34.836 -5.148 5.169 87 HG SER 13 HG SER 13 31.983 -4.278 6.520 88 HB2 SER 13 HB2 SER 13 31.854 -5.672 4.867 89 HB3 SER 13 HB3 SER 13 33.061 -6.733 5.618 90 H SER 14 H SER 14 32.577 -4.675 2.434 91 HA SER 14 HA SER 14 33.335 -6.927 0.902 92 HG SER 14 HG SER 14 31.428 -3.672 0.803 93 HB2 SER 14 HB2 SER 14 32.586 -4.653 -0.765 94 HB3 SER 14 HB3 SER 14 31.745 -6.171 -0.460 95 H GLY 15 H GLY 15 35.378 -4.304 1.661 96 HA2 GLY 15 HA2 GLY 15 37.470 -3.776 0.828 97 HA3 GLY 15 HA3 GLY 15 37.249 -4.912 -0.503 98 H ARG 16 H ARG 16 34.585 -2.853 -0.391 99 HA ARG 16 HA ARG 16 35.549 -1.375 -2.757 100 HE ARG 16 HE ARG 16 30.311 -1.394 -3.049 101 HB2 ARG 16 HB2 ARG 16 33.342 -2.653 -2.646 102 HB3 ARG 16 HB3 ARG 16 32.720 -1.374 -1.594 103 HG2 ARG 16 HG2 ARG 16 32.937 0.278 -3.366 104 HG3 ARG 16 HG3 ARG 16 33.969 -0.807 -4.308 105 HD2 ARG 16 HD2 ARG 16 32.013 -0.958 -5.467 106 HD3 ARG 16 HD3 ARG 16 31.977 -2.398 -4.476 107 HH11 ARG 16 HH11 ARG 16 30.865 0.472 -5.964 108 HH12 ARG 16 HH12 ARG 16 29.278 1.182 -5.951 109 HH21 ARG 16 HH21 ARG 16 28.275 -0.455 -3.061 110 HH22 ARG 16 HH22 ARG 16 27.865 0.688 -4.299 111 HA PRO 17 HA PRO 17 36.200 2.194 -0.156 112 HB2 PRO 17 HB2 PRO 17 36.605 4.190 -2.004 113 HB3 PRO 17 HB3 PRO 17 37.790 2.894 -1.658 114 HG2 PRO 17 HG2 PRO 17 35.780 3.036 -3.917 115 HG3 PRO 17 HG3 PRO 17 37.511 2.575 -3.991 116 HD2 PRO 17 HD2 PRO 17 35.469 0.753 -3.884 117 HD3 PRO 17 HD3 PRO 17 37.071 0.427 -3.160 118 HA PRO 18 HA PRO 18 32.211 4.102 0.254 119 HB2 PRO 18 HB2 PRO 18 32.780 6.389 1.689 120 HB3 PRO 18 HB3 PRO 18 32.769 4.739 2.364 121 HG2 PRO 18 HG2 PRO 18 35.134 6.365 1.408 122 HG3 PRO 18 HG3 PRO 18 34.990 5.378 2.898 123 HD2 PRO 18 HD2 PRO 18 36.238 4.466 0.647 124 HD3 PRO 18 HD3 PRO 18 35.301 3.376 1.711 125 HA PRO 19 HA PRO 19 32.344 7.024 -3.214 126 HB2 PRO 19 HB2 PRO 19 29.771 6.907 -4.041 127 HB3 PRO 19 HB3 PRO 19 30.883 5.516 -4.197 128 HG2 PRO 19 HG2 PRO 19 28.820 6.000 -2.022 129 HG3 PRO 19 HG3 PRO 19 29.099 4.508 -2.970 130 HD2 PRO 19 HD2 PRO 19 30.177 4.937 -0.465 131 HD3 PRO 19 HD3 PRO 19 30.985 3.942 -1.712 132 H SER 20 H SER 20 32.915 8.824 -1.898 133 HA SER 20 HA SER 20 30.697 10.725 -1.241 134 HG SER 20 HG SER 20 31.854 9.832 1.954 135 HB2 SER 20 HB2 SER 20 33.326 10.284 0.223 136 HB3 SER 20 HB3 SER 20 32.183 11.605 0.536 Start of MODEL 21 1 HA ASP 1 HA ASP 1 24.341 8.578 -4.150 2 H1 ASP 1 H1 ASP 1 23.294 8.080 -6.227 3 H2 ASP 1 H2 ASP 1 21.890 7.673 -5.479 4 H3 ASP 1 H3 ASP 1 22.409 9.246 -5.453 5 HB2 ASP 1 HB2 ASP 1 22.103 9.358 -3.168 6 HB3 ASP 1 HB3 ASP 1 21.763 7.657 -2.830 7 H ALA 2 H ALA 2 25.622 6.896 -3.408 8 HA ALA 2 HA ALA 2 24.684 4.097 -3.876 9 HB1 ALA 2 HB3 ALA 2 27.038 3.569 -4.480 10 HB2 ALA 2 HB1 ALA 2 26.269 4.706 -5.602 11 HB3 ALA 2 HB2 ALA 2 27.429 5.302 -4.401 12 H TYR 3 H TYR 3 25.234 6.217 -1.390 13 HA TYR 3 HA TYR 3 27.187 4.805 0.204 14 HD1 TYR 3 HD2 TYR 3 26.235 5.317 3.383 15 HD2 TYR 3 HD1 TYR 3 28.413 8.036 0.829 16 HE1 TYR 3 HE2 TYR 3 28.056 5.474 5.081 17 HE2 TYR 3 HE1 TYR 3 30.219 8.182 2.515 18 HH TYR 3 HH TYR 3 31.096 6.609 4.435 19 HB2 TYR 3 HB2 TYR 3 26.282 7.325 0.194 20 HB3 TYR 3 HB3 TYR 3 25.150 6.694 1.374 21 H ALA 4 H ALA 4 23.625 4.885 0.091 22 HA ALA 4 HA ALA 4 23.078 3.171 2.294 23 HB1 ALA 4 HB3 ALA 4 20.931 2.738 1.130 24 HB2 ALA 4 HB1 ALA 4 21.345 4.463 1.120 25 HB3 ALA 4 HB2 ALA 4 21.575 3.485 -0.348 26 H GLN 5 H GLN 5 23.824 2.334 -1.114 27 HA GLN 5 HA GLN 5 23.571 -0.511 -0.759 28 HB2 GLN 5 HB2 GLN 5 23.539 0.846 -2.957 29 HB3 GLN 5 HB3 GLN 5 25.299 0.860 -2.841 30 HG2 GLN 5 HG2 GLN 5 24.487 -1.866 -2.402 31 HG3 GLN 5 HG3 GLN 5 23.487 -1.263 -3.717 32 HE21 GLN 5 HE22 GLN 5 24.570 -0.634 -5.781 33 HE22 GLN 5 HE21 GLN 5 26.249 -1.183 -5.956 34 H TRP 6 H TRP 6 26.410 1.724 -0.704 35 HA TRP 6 HA TRP 6 28.424 -0.148 -0.158 36 HD1 TRP 6 HD1 TRP 6 31.069 1.018 -0.869 37 HE1 TRP 6 HE1 TRP 6 33.169 0.914 0.645 38 HE3 TRP 6 HE3 TRP 6 29.010 2.702 3.505 39 HZ2 TRP 6 HZ2 TRP 6 33.874 1.653 3.298 40 HZ3 TRP 6 HZ3 TRP 6 30.430 2.981 5.529 41 HH2 TRP 6 HH2 TRP 6 32.863 2.488 5.432 42 HB2 TRP 6 HB2 TRP 6 28.717 2.296 -0.607 43 HB3 TRP 6 HB3 TRP 6 28.177 2.641 1.030 44 H LEU 7 H LEU 7 26.297 1.447 2.275 45 HA LEU 7 HA LEU 7 27.340 -0.022 4.520 46 HG LEU 7 HG LEU 7 26.620 2.830 4.158 47 HB2 LEU 7 HB2 LEU 7 24.612 1.235 4.053 48 HB3 LEU 7 HB3 LEU 7 25.144 0.584 5.602 49 HD11 LEU 7 HD11 LEU 7 24.355 3.564 4.694 50 HD12 LEU 7 HD12 LEU 7 24.522 2.966 6.361 51 HD13 LEU 7 HD13 LEU 7 25.512 4.330 5.796 52 HD21 LEU 7 HD23 LEU 7 27.627 3.249 6.356 53 HD22 LEU 7 HD21 LEU 7 26.729 1.887 7.056 54 HD23 LEU 7 HD22 LEU 7 27.989 1.602 5.835 55 H LYS 8 H LYS 8 24.699 -0.866 2.254 56 HA LYS 8 HA LYS 8 23.724 -3.177 3.614 57 HB2 LYS 8 HB2 LYS 8 23.553 -2.099 0.835 58 HB3 LYS 8 HB3 LYS 8 23.468 -3.846 0.935 59 HG2 LYS 8 HG2 LYS 8 21.240 -3.135 1.052 60 HG3 LYS 8 HG3 LYS 8 21.667 -3.590 2.703 61 HD2 LYS 8 HD2 LYS 8 22.149 -1.063 3.083 62 HD3 LYS 8 HD3 LYS 8 21.378 -0.804 1.509 63 HE2 LYS 8 HE2 LYS 8 19.669 -2.553 2.995 64 HE3 LYS 8 HE3 LYS 8 20.209 -1.324 4.142 65 HZ1 LYS 8 HZ3 LYS 8 18.207 -0.624 3.015 66 HZ2 LYS 8 HZ1 LYS 8 19.443 0.365 2.565 67 HZ3 LYS 8 HZ2 LYS 8 18.905 -0.802 1.537 68 H ASP 9 H ASP 9 26.451 -2.949 1.357 69 HA ASP 9 HA ASP 9 27.093 -5.779 1.572 70 HB2 ASP 9 HB2 ASP 9 28.404 -3.392 0.237 71 HB3 ASP 9 HB3 ASP 9 29.109 -5.011 0.212 72 H GLY 10 H GLY 10 27.123 -4.210 4.102 73 HA2 GLY 10 HA2 GLY 10 28.205 -4.500 6.121 74 HA3 GLY 10 HA3 GLY 10 29.463 -5.443 5.316 75 H GLY 11 H GLY 11 28.619 -2.211 4.223 76 HA2 GLY 11 HA2 GLY 11 29.791 -0.260 4.050 77 HA3 GLY 11 HA3 GLY 11 30.415 -0.564 5.665 78 HA PRO 12 HA PRO 12 34.185 -0.996 3.195 79 HB2 PRO 12 HB2 PRO 12 36.059 -1.114 5.168 80 HB3 PRO 12 HB3 PRO 12 35.159 0.376 4.776 81 HG2 PRO 12 HG2 PRO 12 34.658 -1.564 7.034 82 HG3 PRO 12 HG3 PRO 12 34.615 0.228 7.057 83 HD2 PRO 12 HD2 PRO 12 32.383 -1.431 6.802 84 HD3 PRO 12 HD3 PRO 12 32.441 0.268 6.266 85 H SER 13 H SER 13 32.741 -3.454 5.056 86 HA SER 13 HA SER 13 34.727 -5.408 5.370 87 HG SER 13 HG SER 13 31.784 -4.632 6.489 88 HB2 SER 13 HB2 SER 13 31.794 -5.917 4.734 89 HB3 SER 13 HB3 SER 13 32.924 -7.037 5.516 90 H SER 14 H SER 14 32.823 -4.695 2.455 91 HA SER 14 HA SER 14 33.714 -6.977 0.918 92 HG SER 14 HG SER 14 30.933 -4.924 1.346 93 HB2 SER 14 HB2 SER 14 32.738 -5.049 -0.841 94 HB3 SER 14 HB3 SER 14 31.811 -6.353 -0.106 95 H GLY 15 H GLY 15 35.475 -4.253 1.899 96 HA2 GLY 15 HA2 GLY 15 37.535 -3.492 1.213 97 HA3 GLY 15 HA3 GLY 15 37.530 -4.658 -0.110 98 H ARG 16 H ARG 16 34.749 -2.728 -0.148 99 HA ARG 16 HA ARG 16 35.568 -1.302 -2.576 100 HE ARG 16 HE ARG 16 31.927 0.899 -4.852 101 HB2 ARG 16 HB2 ARG 16 33.372 -2.481 -2.346 102 HB3 ARG 16 HB3 ARG 16 32.953 -1.422 -1.010 103 HG2 ARG 16 HG2 ARG 16 31.776 -0.461 -2.716 104 HG3 ARG 16 HG3 ARG 16 33.228 0.533 -2.760 105 HD2 ARG 16 HD2 ARG 16 34.086 -0.790 -4.668 106 HD3 ARG 16 HD3 ARG 16 32.692 -1.884 -4.530 107 HH11 ARG 16 HH11 ARG 16 32.811 -1.933 -6.692 108 HH12 ARG 16 HH12 ARG 16 31.889 -1.464 -8.096 109 HH21 ARG 16 HH21 ARG 16 30.727 1.472 -6.659 110 HH22 ARG 16 HH22 ARG 16 30.739 0.451 -8.063 111 HA PRO 17 HA PRO 17 36.373 2.444 -0.154 112 HB2 PRO 17 HB2 PRO 17 36.618 4.292 -2.185 113 HB3 PRO 17 HB3 PRO 17 37.894 3.128 -1.720 114 HG2 PRO 17 HG2 PRO 17 35.917 2.933 -3.995 115 HG3 PRO 17 HG3 PRO 17 37.663 2.530 -3.990 116 HD2 PRO 17 HD2 PRO 17 35.652 0.663 -3.729 117 HD3 PRO 17 HD3 PRO 17 37.273 0.446 -3.002 118 HA PRO 18 HA PRO 18 32.155 3.919 0.046 119 HB2 PRO 18 HB2 PRO 18 32.455 6.168 1.649 120 HB3 PRO 18 HB3 PRO 18 32.418 4.486 2.241 121 HG2 PRO 18 HG2 PRO 18 34.826 6.218 1.651 122 HG3 PRO 18 HG3 PRO 18 34.545 5.143 3.059 123 HD2 PRO 18 HD2 PRO 18 36.081 4.389 0.941 124 HD3 PRO 18 HD3 PRO 18 35.035 3.214 1.794 125 HA PRO 19 HA PRO 19 32.106 7.148 -3.085 126 HB2 PRO 19 HB2 PRO 19 29.436 7.532 -3.391 127 HB3 PRO 19 HB3 PRO 19 30.252 6.016 -3.881 128 HG2 PRO 19 HG2 PRO 19 28.688 6.547 -1.341 129 HG3 PRO 19 HG3 PRO 19 28.618 5.119 -2.418 130 HD2 PRO 19 HD2 PRO 19 30.119 5.222 -0.102 131 HD3 PRO 19 HD3 PRO 19 30.535 4.198 -1.510 132 H SER 20 H SER 20 32.900 9.070 -2.501 133 HA SER 20 HA SER 20 31.319 10.980 -0.862 134 HG SER 20 HG SER 20 32.236 11.269 1.142 135 HB2 SER 20 HB2 SER 20 34.172 10.057 -0.551 136 HB3 SER 20 HB3 SER 20 33.862 11.792 -0.391 Start of MODEL 22 1 HA ASP 1 HA ASP 1 22.968 7.973 -4.138 2 H1 ASP 1 H1 ASP 1 20.963 6.649 -4.081 3 H2 ASP 1 H2 ASP 1 20.956 6.674 -2.439 4 H3 ASP 1 H3 ASP 1 20.736 8.085 -3.266 5 HB2 ASP 1 HB2 ASP 1 22.494 7.931 -1.149 6 HB3 ASP 1 HB3 ASP 1 24.124 8.167 -1.812 7 H ALA 2 H ALA 2 25.049 7.002 -4.124 8 HA ALA 2 HA ALA 2 25.084 4.148 -4.220 9 HB1 ALA 2 HB3 ALA 2 27.510 4.495 -4.571 10 HB2 ALA 2 HB1 ALA 2 26.546 5.586 -5.575 11 HB3 ALA 2 HB2 ALA 2 27.329 6.206 -4.108 12 H TYR 3 H TYR 3 25.826 6.421 -1.598 13 HA TYR 3 HA TYR 3 27.272 4.720 0.117 14 HD1 TYR 3 HD2 TYR 3 28.966 6.455 1.326 15 HD2 TYR 3 HD1 TYR 3 25.189 6.145 3.393 16 HE1 TYR 3 HE2 TYR 3 30.170 6.169 3.493 17 HE2 TYR 3 HE1 TYR 3 26.410 5.923 5.562 18 HH TYR 3 HH TYR 3 29.106 4.945 6.083 19 HB2 TYR 3 HB2 TYR 3 26.792 7.240 0.315 20 HB3 TYR 3 HB3 TYR 3 25.258 6.791 1.051 21 H ALA 4 H ALA 4 23.761 4.905 -0.438 22 HA ALA 4 HA ALA 4 22.899 3.333 1.783 23 HB1 ALA 4 HB3 ALA 4 20.823 3.199 0.619 24 HB2 ALA 4 HB1 ALA 4 21.497 4.775 0.158 25 HB3 ALA 4 HB2 ALA 4 21.591 3.403 -0.968 26 H GLN 5 H GLN 5 24.059 2.456 -1.471 27 HA GLN 5 HA GLN 5 23.564 -0.386 -1.116 28 HB2 GLN 5 HB2 GLN 5 23.826 1.051 -3.347 29 HB3 GLN 5 HB3 GLN 5 25.540 0.701 -3.126 30 HG2 GLN 5 HG2 GLN 5 24.105 -1.779 -2.695 31 HG3 GLN 5 HG3 GLN 5 23.397 -1.004 -4.106 32 HE21 GLN 5 HE22 GLN 5 26.439 -2.606 -2.807 33 HE22 GLN 5 HE21 GLN 5 27.068 -2.649 -4.426 34 H TRP 6 H TRP 6 26.404 1.786 -0.871 35 HA TRP 6 HA TRP 6 28.402 -0.121 -0.334 36 HD1 TRP 6 HD1 TRP 6 31.040 0.960 -0.914 37 HE1 TRP 6 HE1 TRP 6 33.130 0.919 0.629 38 HE3 TRP 6 HE3 TRP 6 28.914 2.810 3.353 39 HZ2 TRP 6 HZ2 TRP 6 33.762 1.668 3.295 40 HZ3 TRP 6 HZ3 TRP 6 30.287 3.088 5.413 41 HH2 TRP 6 HH2 TRP 6 32.706 2.547 5.392 42 HB2 TRP 6 HB2 TRP 6 28.692 2.361 -0.708 43 HB3 TRP 6 HB3 TRP 6 28.121 2.635 0.931 44 H LEU 7 H LEU 7 26.182 1.428 2.023 45 HA LEU 7 HA LEU 7 27.156 0.030 4.336 46 HG LEU 7 HG LEU 7 26.304 2.827 3.885 47 HB2 LEU 7 HB2 LEU 7 24.387 1.111 3.668 48 HB3 LEU 7 HB3 LEU 7 24.856 0.528 5.265 49 HD11 LEU 7 HD11 LEU 7 24.054 3.562 4.124 50 HD12 LEU 7 HD12 LEU 7 23.876 2.787 5.716 51 HD13 LEU 7 HD13 LEU 7 24.905 4.215 5.534 52 HD21 LEU 7 HD23 LEU 7 27.198 3.325 6.032 53 HD22 LEU 7 HD21 LEU 7 26.151 2.136 6.838 54 HD23 LEU 7 HD22 LEU 7 27.478 1.600 5.787 55 H LYS 8 H LYS 8 24.767 -0.917 1.905 56 HA LYS 8 HA LYS 8 23.712 -3.257 3.168 57 HB2 LYS 8 HB2 LYS 8 23.432 -1.880 0.689 58 HB3 LYS 8 HB3 LYS 8 23.966 -3.497 0.251 59 HG2 LYS 8 HG2 LYS 8 22.093 -4.510 1.375 60 HG3 LYS 8 HG3 LYS 8 21.632 -2.981 2.146 61 HD2 LYS 8 HD2 LYS 8 21.787 -3.174 -0.879 62 HD3 LYS 8 HD3 LYS 8 20.358 -3.774 -0.040 63 HE2 LYS 8 HE2 LYS 8 21.372 -1.049 0.744 64 HE3 LYS 8 HE3 LYS 8 20.640 -1.184 -0.857 65 HZ1 LYS 8 HZ3 LYS 8 19.234 -0.804 1.377 66 HZ2 LYS 8 HZ1 LYS 8 18.612 -1.506 0.024 67 HZ3 LYS 8 HZ2 LYS 8 19.144 -2.441 1.265 68 H ASP 9 H ASP 9 26.708 -2.715 1.428 69 HA ASP 9 HA ASP 9 27.362 -5.564 1.299 70 HB2 ASP 9 HB2 ASP 9 29.203 -3.252 0.650 71 HB3 ASP 9 HB3 ASP 9 29.247 -4.923 0.069 72 H GLY 10 H GLY 10 27.064 -4.109 3.994 73 HA2 GLY 10 HA2 GLY 10 27.965 -4.311 6.100 74 HA3 GLY 10 HA3 GLY 10 29.263 -5.312 5.462 75 H GLY 11 H GLY 11 28.575 -2.117 4.148 76 HA2 GLY 11 HA2 GLY 11 29.752 -0.145 4.105 77 HA3 GLY 11 HA3 GLY 11 30.299 -0.508 5.740 78 HA PRO 12 HA PRO 12 34.162 -0.948 3.396 79 HB2 PRO 12 HB2 PRO 12 35.967 -0.760 5.412 80 HB3 PRO 12 HB3 PRO 12 34.963 0.620 4.905 81 HG2 PRO 12 HG2 PRO 12 34.567 -1.191 7.281 82 HG3 PRO 12 HG3 PRO 12 34.362 0.586 7.166 83 HD2 PRO 12 HD2 PRO 12 32.312 -1.334 6.952 84 HD3 PRO 12 HD3 PRO 12 32.202 0.361 6.400 85 H SER 13 H SER 13 32.606 -3.439 4.973 86 HA SER 13 HA SER 13 34.798 -5.221 5.547 87 HG SER 13 HG SER 13 31.622 -6.540 4.140 88 HB2 SER 13 HB2 SER 13 33.096 -6.943 5.772 89 HB3 SER 13 HB3 SER 13 32.579 -5.449 6.578 90 H SER 14 H SER 14 32.858 -4.665 2.592 91 HA SER 14 HA SER 14 33.882 -6.953 1.164 92 HG SER 14 HG SER 14 31.094 -5.275 1.376 93 HB2 SER 14 HB2 SER 14 33.100 -4.820 -0.611 94 HB3 SER 14 HB3 SER 14 32.293 -6.355 -0.313 95 H GLY 15 H GLY 15 35.468 -4.099 2.096 96 HA2 GLY 15 HA2 GLY 15 37.581 -3.322 1.549 97 HA3 GLY 15 HA3 GLY 15 37.719 -4.572 0.310 98 H ARG 16 H ARG 16 34.924 -2.541 0.116 99 HA ARG 16 HA ARG 16 35.904 -1.323 -2.389 100 HE ARG 16 HE ARG 16 31.189 0.046 -4.414 101 HB2 ARG 16 HB2 ARG 16 33.760 -2.478 -2.422 102 HB3 ARG 16 HB3 ARG 16 33.173 -1.525 -1.075 103 HG2 ARG 16 HG2 ARG 16 32.186 -0.213 -2.551 104 HG3 ARG 16 HG3 ARG 16 33.727 0.499 -2.908 105 HD2 ARG 16 HD2 ARG 16 33.836 -0.395 -4.978 106 HD3 ARG 16 HD3 ARG 16 33.275 -1.983 -4.432 107 HH11 ARG 16 HH11 ARG 16 32.730 -2.354 -6.396 108 HH12 ARG 16 HH12 ARG 16 31.349 -2.587 -7.436 109 HH21 ARG 16 HH21 ARG 16 29.395 -0.263 -5.727 110 HH22 ARG 16 HH22 ARG 16 29.478 -1.389 -7.042 111 HA PRO 17 HA PRO 17 36.549 2.532 -0.241 112 HB2 PRO 17 HB2 PRO 17 36.745 4.263 -2.407 113 HB3 PRO 17 HB3 PRO 17 38.053 3.217 -1.784 114 HG2 PRO 17 HG2 PRO 17 36.304 2.804 -4.183 115 HG3 PRO 17 HG3 PRO 17 38.008 2.325 -3.926 116 HD2 PRO 17 HD2 PRO 17 35.785 0.649 -3.716 117 HD3 PRO 17 HD3 PRO 17 37.383 0.308 -3.002 118 HA PRO 18 HA PRO 18 32.301 3.943 0.012 119 HB2 PRO 18 HB2 PRO 18 32.720 6.332 1.424 120 HB3 PRO 18 HB3 PRO 18 32.545 4.698 2.127 121 HG2 PRO 18 HG2 PRO 18 35.079 6.210 1.461 122 HG3 PRO 18 HG3 PRO 18 34.715 5.232 2.921 123 HD2 PRO 18 HD2 PRO 18 36.214 4.257 0.909 124 HD3 PRO 18 HD3 PRO 18 35.021 3.204 1.733 125 HA PRO 19 HA PRO 19 32.254 6.882 -3.408 126 HB2 PRO 19 HB2 PRO 19 29.621 6.894 -4.001 127 HB3 PRO 19 HB3 PRO 19 30.613 5.423 -4.203 128 HG2 PRO 19 HG2 PRO 19 28.777 6.123 -1.887 129 HG3 PRO 19 HG3 PRO 19 28.923 4.565 -2.760 130 HD2 PRO 19 HD2 PRO 19 30.195 5.129 -0.372 131 HD3 PRO 19 HD3 PRO 19 30.795 3.949 -1.578 132 H SER 20 H SER 20 33.034 8.616 -1.974 133 HA SER 20 HA SER 20 30.988 10.734 -1.545 134 HG SER 20 HG SER 20 31.206 9.436 1.755 135 HB2 SER 20 HB2 SER 20 33.081 9.880 0.489 136 HB3 SER 20 HB3 SER 20 32.016 11.296 0.618 Start of MODEL 23 1 HA ASP 1 HA ASP 1 25.572 8.444 -4.282 2 H1 ASP 1 H1 ASP 1 25.221 8.347 -6.604 3 H2 ASP 1 H2 ASP 1 23.593 8.112 -6.420 4 H3 ASP 1 H3 ASP 1 24.261 9.565 -5.989 5 HB2 ASP 1 HB2 ASP 1 22.538 8.474 -4.165 6 HB3 ASP 1 HB3 ASP 1 23.578 8.212 -2.753 7 H ALA 2 H ALA 2 26.222 6.574 -3.372 8 HA ALA 2 HA ALA 2 24.642 4.084 -3.787 9 HB1 ALA 2 HB3 ALA 2 26.696 2.873 -4.380 10 HB2 ALA 2 HB1 ALA 2 26.367 4.178 -5.530 11 HB3 ALA 2 HB2 ALA 2 27.630 4.384 -4.301 12 H TYR 3 H TYR 3 25.730 6.119 -1.478 13 HA TYR 3 HA TYR 3 27.335 4.562 0.236 14 HD1 TYR 3 HD1 TYR 3 26.413 5.299 3.416 15 HD2 TYR 3 HD2 TYR 3 28.902 7.659 0.798 16 HE1 TYR 3 HE1 TYR 3 28.255 5.243 5.094 17 HE2 TYR 3 HE2 TYR 3 30.721 7.613 2.480 18 HH TYR 3 HH TYR 3 31.488 6.363 4.365 19 HB2 TYR 3 HB2 TYR 3 26.728 7.147 0.136 20 HB3 TYR 3 HB3 TYR 3 25.516 6.705 1.326 21 H ALA 4 H ALA 4 23.783 4.877 0.120 22 HA ALA 4 HA ALA 4 23.132 3.467 2.489 23 HB1 ALA 4 HB3 ALA 4 20.948 3.143 1.430 24 HB2 ALA 4 HB1 ALA 4 21.537 4.780 1.093 25 HB3 ALA 4 HB2 ALA 4 21.621 3.529 -0.168 26 H GLN 5 H GLN 5 23.713 2.232 -0.827 27 HA GLN 5 HA GLN 5 23.379 -0.541 -0.142 28 HB2 GLN 5 HB2 GLN 5 23.392 0.746 -2.507 29 HB3 GLN 5 HB3 GLN 5 25.104 0.326 -2.457 30 HG2 GLN 5 HG2 GLN 5 24.155 -1.498 -3.562 31 HG3 GLN 5 HG3 GLN 5 24.257 -2.108 -1.910 32 HE21 GLN 5 HE22 GLN 5 22.244 -2.347 -4.466 33 HE22 GLN 5 HE21 GLN 5 20.711 -2.232 -3.589 34 H TRP 6 H TRP 6 26.255 1.586 -0.441 35 HA TRP 6 HA TRP 6 28.295 -0.258 0.075 36 HD1 TRP 6 HD1 TRP 6 30.919 1.013 -0.866 37 HE1 TRP 6 HE1 TRP 6 33.098 0.925 0.512 38 HE3 TRP 6 HE3 TRP 6 29.098 2.599 3.649 39 HZ2 TRP 6 HZ2 TRP 6 33.949 1.600 3.143 40 HZ3 TRP 6 HZ3 TRP 6 30.630 2.854 5.591 41 HH2 TRP 6 HH2 TRP 6 33.053 2.372 5.350 42 HB2 TRP 6 HB2 TRP 6 28.562 2.182 -0.469 43 HB3 TRP 6 HB3 TRP 6 28.130 2.569 1.189 44 H LEU 7 H LEU 7 26.398 1.509 2.579 45 HA LEU 7 HA LEU 7 27.495 0.053 4.811 46 HG LEU 7 HG LEU 7 26.904 2.919 4.431 47 HB2 LEU 7 HB2 LEU 7 24.813 1.437 4.428 48 HB3 LEU 7 HB3 LEU 7 25.362 0.784 5.970 49 HD11 LEU 7 HD11 LEU 7 24.700 3.782 5.034 50 HD12 LEU 7 HD12 LEU 7 24.908 3.221 6.709 51 HD13 LEU 7 HD13 LEU 7 25.943 4.513 6.064 52 HD21 LEU 7 HD23 LEU 7 28.007 3.313 6.602 53 HD22 LEU 7 HD21 LEU 7 27.056 2.011 7.344 54 HD23 LEU 7 HD22 LEU 7 28.261 1.643 6.092 55 H LYS 8 H LYS 8 24.616 -0.617 2.789 56 HA LYS 8 HA LYS 8 23.637 -2.866 4.184 57 HB2 LYS 8 HB2 LYS 8 22.818 -1.484 1.970 58 HB3 LYS 8 HB3 LYS 8 23.531 -2.877 1.171 59 HG2 LYS 8 HG2 LYS 8 21.250 -3.401 1.447 60 HG3 LYS 8 HG3 LYS 8 22.067 -4.337 2.710 61 HD2 LYS 8 HD2 LYS 8 21.481 -2.557 4.372 62 HD3 LYS 8 HD3 LYS 8 20.702 -1.621 3.080 63 HE2 LYS 8 HE2 LYS 8 19.098 -3.459 2.703 64 HE3 LYS 8 HE3 LYS 8 19.895 -4.428 3.954 65 HZ1 LYS 8 HZ3 LYS 8 17.946 -3.276 4.821 66 HZ2 LYS 8 HZ1 LYS 8 19.307 -2.725 5.565 67 HZ3 LYS 8 HZ2 LYS 8 18.579 -1.813 4.408 68 H ASP 9 H ASP 9 26.137 -2.770 1.692 69 HA ASP 9 HA ASP 9 26.606 -5.625 1.660 70 HB2 ASP 9 HB2 ASP 9 28.370 -3.351 0.681 71 HB3 ASP 9 HB3 ASP 9 28.509 -5.062 0.251 72 H GLY 10 H GLY 10 27.003 -3.954 4.347 73 HA2 GLY 10 HA2 GLY 10 28.223 -4.526 6.267 74 HA3 GLY 10 HA3 GLY 10 29.314 -5.525 5.304 75 H GLY 11 H GLY 11 28.593 -2.218 4.373 76 HA2 GLY 11 HA2 GLY 11 29.828 -0.311 4.194 77 HA3 GLY 11 HA3 GLY 11 30.608 -0.742 5.705 78 HA PRO 12 HA PRO 12 34.075 -1.095 2.816 79 HB2 PRO 12 HB2 PRO 12 36.133 -1.450 4.568 80 HB3 PRO 12 HB3 PRO 12 35.276 0.106 4.384 81 HG2 PRO 12 HG2 PRO 12 34.877 -2.002 6.514 82 HG3 PRO 12 HG3 PRO 12 34.974 -0.222 6.703 83 HD2 PRO 12 HD2 PRO 12 32.604 -1.657 6.565 84 HD3 PRO 12 HD3 PRO 12 32.751 0.054 6.080 85 H SER 13 H SER 13 32.757 -3.633 4.686 86 HA SER 13 HA SER 13 34.636 -5.686 4.611 87 HG SER 13 HG SER 13 31.858 -4.900 6.108 88 HB2 SER 13 HB2 SER 13 31.630 -6.006 4.253 89 HB3 SER 13 HB3 SER 13 32.775 -7.241 4.810 90 H SER 14 H SER 14 32.430 -4.730 1.955 91 HA SER 14 HA SER 14 33.020 -6.792 0.140 92 HG SER 14 HG SER 14 30.842 -3.573 0.256 93 HB2 SER 14 HB2 SER 14 32.425 -4.137 -1.029 94 HB3 SER 14 HB3 SER 14 31.553 -5.668 -1.172 95 H GLY 15 H GLY 15 35.222 -4.390 1.199 96 HA2 GLY 15 HA2 GLY 15 37.314 -3.816 0.408 97 HA3 GLY 15 HA3 GLY 15 37.084 -4.868 -0.990 98 H ARG 16 H ARG 16 34.529 -2.630 -0.640 99 HA ARG 16 HA ARG 16 35.514 -1.033 -2.937 100 HE ARG 16 HE ARG 16 30.343 0.092 -3.534 101 HB2 ARG 16 HB2 ARG 16 33.337 -2.055 -3.187 102 HB3 ARG 16 HB3 ARG 16 32.738 -1.320 -1.700 103 HG2 ARG 16 HG2 ARG 16 32.365 0.731 -2.687 104 HG3 ARG 16 HG3 ARG 16 33.812 0.639 -3.663 105 HD2 ARG 16 HD2 ARG 16 32.343 0.559 -5.333 106 HD3 ARG 16 HD3 ARG 16 32.514 -1.174 -5.044 107 HH11 ARG 16 HH11 ARG 16 31.108 -1.386 -6.598 108 HH12 ARG 16 HH12 ARG 16 29.441 -1.621 -7.049 109 HH21 ARG 16 HH21 ARG 16 28.194 -0.263 -4.104 110 HH22 ARG 16 HH22 ARG 16 27.827 -0.969 -5.644 111 HA PRO 17 HA PRO 17 36.337 2.323 -0.046 112 HB2 PRO 17 HB2 PRO 17 36.685 4.419 -1.829 113 HB3 PRO 17 HB3 PRO 17 37.921 3.184 -1.448 114 HG2 PRO 17 HG2 PRO 17 36.001 3.245 -3.788 115 HG3 PRO 17 HG3 PRO 17 37.760 2.896 -3.800 116 HD2 PRO 17 HD2 PRO 17 35.918 0.917 -3.839 117 HD3 PRO 17 HD3 PRO 17 37.429 0.731 -2.913 118 HA PRO 18 HA PRO 18 32.290 4.065 0.443 119 HB2 PRO 18 HB2 PRO 18 32.779 6.262 2.049 120 HB3 PRO 18 HB3 PRO 18 32.791 4.566 2.607 121 HG2 PRO 18 HG2 PRO 18 35.144 6.292 1.794 122 HG3 PRO 18 HG3 PRO 18 34.992 5.220 3.224 123 HD2 PRO 18 HD2 PRO 18 36.297 4.436 0.972 124 HD3 PRO 18 HD3 PRO 18 35.307 3.283 1.916 125 HA PRO 19 HA PRO 19 32.300 7.221 -2.802 126 HB2 PRO 19 HB2 PRO 19 29.663 7.281 -3.424 127 HB3 PRO 19 HB3 PRO 19 30.685 5.853 -3.761 128 HG2 PRO 19 HG2 PRO 19 28.824 6.283 -1.401 129 HG3 PRO 19 HG3 PRO 19 28.962 4.843 -2.454 130 HD2 PRO 19 HD2 PRO 19 30.234 5.067 -0.023 131 HD3 PRO 19 HD3 PRO 19 30.900 4.116 -1.385 132 H SER 20 H SER 20 33.052 8.940 -1.472 133 HA SER 20 HA SER 20 30.964 10.803 -0.395 134 HG SER 20 HG SER 20 32.250 8.836 0.893 135 HB2 SER 20 HB2 SER 20 33.840 10.586 0.563 136 HB3 SER 20 HB3 SER 20 32.536 11.580 1.257 Start of MODEL 24 1 HA ASP 1 HA ASP 1 22.709 7.848 -5.310 2 H1 ASP 1 H1 ASP 1 22.592 8.340 -3.018 3 H2 ASP 1 H2 ASP 1 24.220 8.668 -2.931 4 H3 ASP 1 H3 ASP 1 23.254 9.634 -3.838 5 HB2 ASP 1 HB2 ASP 1 25.608 8.688 -5.060 6 HB3 ASP 1 HB3 ASP 1 24.923 7.851 -6.469 7 H ALA 2 H ALA 2 25.910 6.653 -4.254 8 HA ALA 2 HA ALA 2 24.689 3.949 -4.214 9 HB1 ALA 2 HB3 ALA 2 26.967 3.229 -4.812 10 HB2 ALA 2 HB1 ALA 2 26.326 4.445 -5.927 11 HB3 ALA 2 HB2 ALA 2 27.527 4.915 -4.710 12 H TYR 3 H TYR 3 25.521 6.083 -1.846 13 HA TYR 3 HA TYR 3 27.207 4.607 -0.118 14 HD1 TYR 3 HD2 TYR 3 26.196 5.325 3.097 15 HD2 TYR 3 HD1 TYR 3 28.608 7.689 0.399 16 HE1 TYR 3 HE2 TYR 3 28.004 5.463 4.808 17 HE2 TYR 3 HE1 TYR 3 30.395 7.815 2.102 18 HH TYR 3 HH TYR 3 30.210 7.534 5.020 19 HB2 TYR 3 HB2 TYR 3 26.402 7.150 -0.192 20 HB3 TYR 3 HB3 TYR 3 25.234 6.591 0.993 21 H ALA 4 H ALA 4 23.638 4.687 -0.280 22 HA ALA 4 HA ALA 4 23.066 3.143 2.040 23 HB1 ALA 4 HB3 ALA 4 20.924 2.685 0.897 24 HB2 ALA 4 HB1 ALA 4 21.371 4.392 0.738 25 HB3 ALA 4 HB2 ALA 4 21.591 3.283 -0.635 26 H GLN 5 H GLN 5 23.805 2.136 -1.318 27 HA GLN 5 HA GLN 5 23.600 -0.676 -0.794 28 HB2 GLN 5 HB2 GLN 5 23.594 0.673 -3.072 29 HB3 GLN 5 HB3 GLN 5 25.346 0.407 -2.998 30 HG2 GLN 5 HG2 GLN 5 24.830 -2.072 -2.616 31 HG3 GLN 5 HG3 GLN 5 23.128 -1.695 -2.920 32 HE21 GLN 5 HE22 GLN 5 25.360 -3.318 -4.449 33 HE22 GLN 5 HE21 GLN 5 25.110 -2.657 -6.077 34 H TRP 6 H TRP 6 26.370 1.623 -0.802 35 HA TRP 6 HA TRP 6 28.440 -0.215 -0.229 36 HD1 TRP 6 HD1 TRP 6 31.079 0.917 -0.962 37 HE1 TRP 6 HE1 TRP 6 33.165 0.903 0.574 38 HE3 TRP 6 HE3 TRP 6 28.991 2.833 3.310 39 HZ2 TRP 6 HZ2 TRP 6 33.858 1.784 3.174 40 HZ3 TRP 6 HZ3 TRP 6 30.406 3.232 5.315 41 HH2 TRP 6 HH2 TRP 6 32.839 2.740 5.253 42 HB2 TRP 6 HB2 TRP 6 28.706 2.216 -0.765 43 HB3 TRP 6 HB3 TRP 6 28.162 2.609 0.860 44 H LEU 7 H LEU 7 26.323 1.474 2.161 45 HA LEU 7 HA LEU 7 27.353 0.036 4.433 46 HG LEU 7 HG LEU 7 26.706 2.909 4.039 47 HB2 LEU 7 HB2 LEU 7 24.668 1.374 3.959 48 HB3 LEU 7 HB3 LEU 7 25.176 0.720 5.515 49 HD11 LEU 7 HD11 LEU 7 24.473 3.699 4.651 50 HD12 LEU 7 HD12 LEU 7 24.691 3.105 6.313 51 HD13 LEU 7 HD13 LEU 7 25.692 4.439 5.703 52 HD21 LEU 7 HD23 LEU 7 27.763 3.296 6.241 53 HD22 LEU 7 HD21 LEU 7 26.872 1.922 6.924 54 HD23 LEU 7 HD22 LEU 7 28.104 1.663 5.670 55 H LYS 8 H LYS 8 24.622 -0.783 2.248 56 HA LYS 8 HA LYS 8 23.647 -3.060 3.610 57 HB2 LYS 8 HB2 LYS 8 23.689 -2.155 0.750 58 HB3 LYS 8 HB3 LYS 8 23.310 -3.839 1.014 59 HG2 LYS 8 HG2 LYS 8 21.865 -1.571 2.433 60 HG3 LYS 8 HG3 LYS 8 21.353 -2.230 0.882 61 HD2 LYS 8 HD2 LYS 8 21.779 -4.424 2.796 62 HD3 LYS 8 HD3 LYS 8 20.728 -3.194 3.488 63 HE2 LYS 8 HE2 LYS 8 19.243 -4.653 2.411 64 HE3 LYS 8 HE3 LYS 8 19.377 -3.269 1.319 65 HZ1 LYS 8 HZ3 LYS 8 19.548 -5.331 0.098 66 HZ2 LYS 8 HZ1 LYS 8 21.009 -4.577 0.036 67 HZ3 LYS 8 HZ2 LYS 8 20.790 -5.861 1.036 68 H ASP 9 H ASP 9 26.491 -2.924 1.494 69 HA ASP 9 HA ASP 9 27.016 -5.796 1.733 70 HB2 ASP 9 HB2 ASP 9 28.516 -3.444 0.532 71 HB3 ASP 9 HB3 ASP 9 29.185 -5.075 0.582 72 H GLY 10 H GLY 10 27.084 -3.759 4.234 73 HA2 GLY 10 HA2 GLY 10 28.096 -4.123 6.324 74 HA3 GLY 10 HA3 GLY 10 29.325 -5.152 5.586 75 H GLY 11 H GLY 11 28.596 -2.030 4.183 76 HA2 GLY 11 HA2 GLY 11 29.779 -0.101 3.909 77 HA3 GLY 11 HA3 GLY 11 30.311 -0.272 5.574 78 HA PRO 12 HA PRO 12 34.210 -0.849 3.368 79 HB2 PRO 12 HB2 PRO 12 35.974 -0.763 5.437 80 HB3 PRO 12 HB3 PRO 12 35.058 0.668 4.887 81 HG2 PRO 12 HG2 PRO 12 34.483 -1.111 7.258 82 HG3 PRO 12 HG3 PRO 12 34.402 0.676 7.143 83 HD2 PRO 12 HD2 PRO 12 32.221 -1.053 6.893 84 HD3 PRO 12 HD3 PRO 12 32.273 0.605 6.241 85 H SER 13 H SER 13 32.700 -3.204 5.346 86 HA SER 13 HA SER 13 34.722 -5.084 5.846 87 HG SER 13 HG SER 13 33.712 -6.969 6.858 88 HB2 SER 13 HB2 SER 13 32.380 -5.100 6.738 89 HB3 SER 13 HB3 SER 13 31.816 -5.685 5.160 90 H SER 14 H SER 14 32.741 -4.775 2.850 91 HA SER 14 HA SER 14 33.801 -6.953 1.408 92 HG SER 14 HG SER 14 31.463 -3.793 0.548 93 HB2 SER 14 HB2 SER 14 32.997 -4.950 -0.414 94 HB3 SER 14 HB3 SER 14 32.018 -6.279 0.211 95 H GLY 15 H GLY 15 35.577 -4.190 2.359 96 HA2 GLY 15 HA2 GLY 15 37.640 -3.427 1.662 97 HA3 GLY 15 HA3 GLY 15 37.682 -4.689 0.430 98 H ARG 16 H ARG 16 34.891 -2.722 0.240 99 HA ARG 16 HA ARG 16 35.841 -1.506 -2.284 100 HE ARG 16 HE ARG 16 31.368 0.710 -3.899 101 HB2 ARG 16 HB2 ARG 16 33.728 -2.777 -2.232 102 HB3 ARG 16 HB3 ARG 16 33.074 -1.675 -1.010 103 HG2 ARG 16 HG2 ARG 16 33.118 0.185 -2.591 104 HG3 ARG 16 HG3 ARG 16 33.908 -0.821 -3.822 105 HD2 ARG 16 HD2 ARG 16 32.001 -1.932 -4.375 106 HD3 ARG 16 HD3 ARG 16 31.388 -1.937 -2.712 107 HH11 ARG 16 HH11 ARG 16 29.509 -2.256 -3.692 108 HH12 ARG 16 HH12 ARG 16 27.981 -1.475 -3.928 109 HH21 ARG 16 HH21 ARG 16 29.370 1.711 -4.197 110 HH22 ARG 16 HH22 ARG 16 27.921 0.749 -4.227 111 HA PRO 17 HA PRO 17 36.361 2.388 -0.138 112 HB2 PRO 17 HB2 PRO 17 36.587 4.150 -2.246 113 HB3 PRO 17 HB3 PRO 17 37.878 3.026 -1.727 114 HG2 PRO 17 HG2 PRO 17 35.899 2.686 -3.987 115 HG3 PRO 17 HG3 PRO 17 37.658 2.341 -3.979 116 HD2 PRO 17 HD2 PRO 17 35.738 0.415 -3.630 117 HD3 PRO 17 HD3 PRO 17 37.349 0.303 -2.865 118 HA PRO 18 HA PRO 18 32.151 3.907 -0.022 119 HB2 PRO 18 HB2 PRO 18 32.466 6.253 1.412 120 HB3 PRO 18 HB3 PRO 18 32.477 4.620 2.131 121 HG2 PRO 18 HG2 PRO 18 34.839 6.339 1.342 122 HG3 PRO 18 HG3 PRO 18 34.609 5.381 2.841 123 HD2 PRO 18 HD2 PRO 18 36.100 4.478 0.743 124 HD3 PRO 18 HD3 PRO 18 35.111 3.364 1.735 125 HA PRO 19 HA PRO 19 32.157 6.874 -3.409 126 HB2 PRO 19 HB2 PRO 19 29.489 7.271 -3.752 127 HB3 PRO 19 HB3 PRO 19 30.284 5.714 -4.135 128 HG2 PRO 19 HG2 PRO 19 28.723 6.447 -1.647 129 HG3 PRO 19 HG3 PRO 19 28.632 4.946 -2.617 130 HD2 PRO 19 HD2 PRO 19 30.128 5.191 -0.304 131 HD3 PRO 19 HD3 PRO 19 30.539 4.064 -1.633 132 H SER 20 H SER 20 32.619 8.988 -3.344 133 HA SER 20 HA SER 20 31.371 10.823 -1.351 134 HG SER 20 HG SER 20 33.373 11.301 -3.834 135 HB2 SER 20 HB2 SER 20 33.420 12.134 -1.569 136 HB3 SER 20 HB3 SER 20 33.893 10.450 -1.205 Start of MODEL 25 1 HA ASP 1 HA ASP 1 23.333 8.479 -4.225 2 H1 ASP 1 H1 ASP 1 25.219 8.775 -2.668 3 H2 ASP 1 H2 ASP 1 26.239 8.646 -3.980 4 H3 ASP 1 H3 ASP 1 25.173 9.895 -3.885 5 HB2 ASP 1 HB2 ASP 1 23.810 7.645 -6.456 6 HB3 ASP 1 HB3 ASP 1 24.541 9.235 -6.223 7 H ALA 2 H ALA 2 26.170 6.279 -4.597 8 HA ALA 2 HA ALA 2 24.530 3.969 -4.082 9 HB1 ALA 2 HB3 ALA 2 26.666 2.791 -4.564 10 HB2 ALA 2 HB1 ALA 2 26.290 4.043 -5.763 11 HB3 ALA 2 HB2 ALA 2 27.522 4.352 -4.530 12 H TYR 3 H TYR 3 25.501 5.989 -1.767 13 HA TYR 3 HA TYR 3 27.111 4.531 0.029 14 HD1 TYR 3 HD2 TYR 3 25.922 5.320 3.212 15 HD2 TYR 3 HD1 TYR 3 28.545 7.582 0.628 16 HE1 TYR 3 HE2 TYR 3 27.582 5.542 5.062 17 HE2 TYR 3 HE1 TYR 3 30.176 7.804 2.467 18 HH TYR 3 HH TYR 3 30.511 7.504 4.744 19 HB2 TYR 3 HB2 TYR 3 26.377 7.068 -0.095 20 HB3 TYR 3 HB3 TYR 3 25.123 6.568 1.024 21 H ALA 4 H ALA 4 23.551 4.630 -0.199 22 HA ALA 4 HA ALA 4 22.920 3.126 2.138 23 HB1 ALA 4 HB3 ALA 4 20.798 2.663 0.952 24 HB2 ALA 4 HB1 ALA 4 21.260 4.367 0.788 25 HB3 ALA 4 HB2 ALA 4 21.503 3.246 -0.570 26 H GLN 5 H GLN 5 23.732 2.065 -1.182 27 HA GLN 5 HA GLN 5 23.456 -0.747 -0.606 28 HB2 GLN 5 HB2 GLN 5 23.222 0.395 -2.849 29 HB3 GLN 5 HB3 GLN 5 24.987 0.495 -2.919 30 HG2 GLN 5 HG2 GLN 5 25.223 -1.854 -3.080 31 HG3 GLN 5 HG3 GLN 5 23.658 -2.167 -2.323 32 HE21 GLN 5 HE22 GLN 5 22.198 -3.043 -3.794 33 HE22 GLN 5 HE21 GLN 5 22.117 -2.459 -5.462 34 H TRP 6 H TRP 6 26.236 1.511 -0.781 35 HA TRP 6 HA TRP 6 28.348 -0.252 -0.192 36 HD1 TRP 6 HD1 TRP 6 30.970 0.899 -0.865 37 HE1 TRP 6 HE1 TRP 6 33.020 0.959 0.682 38 HE3 TRP 6 HE3 TRP 6 28.806 2.978 3.299 39 HZ2 TRP 6 HZ2 TRP 6 33.690 2.013 3.246 40 HZ3 TRP 6 HZ3 TRP 6 30.200 3.510 5.286 41 HH2 TRP 6 HH2 TRP 6 32.639 3.050 5.270 42 HB2 TRP 6 HB2 TRP 6 28.562 2.178 -0.736 43 HB3 TRP 6 HB3 TRP 6 27.987 2.570 0.877 44 H LEU 7 H LEU 7 26.270 1.429 2.246 45 HA LEU 7 HA LEU 7 27.344 0.015 4.501 46 HG LEU 7 HG LEU 7 26.552 2.875 4.104 47 HB2 LEU 7 HB2 LEU 7 24.601 1.240 4.044 48 HB3 LEU 7 HB3 LEU 7 25.151 0.612 5.596 49 HD11 LEU 7 HD11 LEU 7 24.282 3.530 4.763 50 HD12 LEU 7 HD12 LEU 7 24.576 2.957 6.420 51 HD13 LEU 7 HD13 LEU 7 25.480 4.346 5.782 52 HD21 LEU 7 HD23 LEU 7 27.622 3.307 6.293 53 HD22 LEU 7 HD21 LEU 7 26.823 1.877 6.976 54 HD23 LEU 7 HD22 LEU 7 28.044 1.702 5.696 55 H LYS 8 H LYS 8 24.531 -0.838 2.423 56 HA LYS 8 HA LYS 8 23.748 -3.209 3.769 57 HB2 LYS 8 HB2 LYS 8 23.338 -2.038 1.088 58 HB3 LYS 8 HB3 LYS 8 23.435 -3.790 1.036 59 HG2 LYS 8 HG2 LYS 8 21.709 -3.794 2.955 60 HG3 LYS 8 HG3 LYS 8 21.470 -2.071 2.582 61 HD2 LYS 8 HD2 LYS 8 20.943 -2.706 0.209 62 HD3 LYS 8 HD3 LYS 8 21.187 -4.414 0.640 63 HE2 LYS 8 HE2 LYS 8 19.388 -4.101 2.425 64 HE3 LYS 8 HE3 LYS 8 19.047 -2.524 1.697 65 HZ1 LYS 8 HZ3 LYS 8 17.595 -4.229 0.799 66 HZ2 LYS 8 HZ1 LYS 8 18.592 -3.696 -0.397 67 HZ3 LYS 8 HZ2 LYS 8 18.874 -5.146 0.325 68 H ASP 9 H ASP 9 26.263 -2.877 1.270 69 HA ASP 9 HA ASP 9 27.059 -5.661 1.341 70 HB2 ASP 9 HB2 ASP 9 28.373 -3.138 0.265 71 HB3 ASP 9 HB3 ASP 9 29.072 -4.746 0.078 72 H GLY 10 H GLY 10 27.132 -4.029 4.052 73 HA2 GLY 10 HA2 GLY 10 28.361 -4.507 5.988 74 HA3 GLY 10 HA3 GLY 10 29.599 -5.317 5.028 75 H GLY 11 H GLY 11 28.626 -2.137 4.017 76 HA2 GLY 11 HA2 GLY 11 29.713 -0.135 3.863 77 HA3 GLY 11 HA3 GLY 11 30.190 -0.383 5.534 78 HA PRO 12 HA PRO 12 34.186 -0.425 3.406 79 HB2 PRO 12 HB2 PRO 12 35.862 -0.286 5.559 80 HB3 PRO 12 HB3 PRO 12 34.868 1.090 5.011 81 HG2 PRO 12 HG2 PRO 12 34.319 -0.811 7.291 82 HG3 PRO 12 HG3 PRO 12 34.116 0.969 7.237 83 HD2 PRO 12 HD2 PRO 12 32.067 -0.870 6.844 84 HD3 PRO 12 HD3 PRO 12 32.053 0.790 6.191 85 H SER 13 H SER 13 32.868 -2.985 5.293 86 HA SER 13 HA SER 13 35.258 -4.588 5.541 87 HG SER 13 HG SER 13 33.441 -6.936 7.246 88 HB2 SER 13 HB2 SER 13 33.091 -4.549 6.973 89 HB3 SER 13 HB3 SER 13 32.447 -5.668 5.754 90 H SER 14 H SER 14 33.199 -4.115 2.848 91 HA SER 14 HA SER 14 33.818 -6.763 1.633 92 HG SER 14 HG SER 14 30.655 -5.979 1.893 93 HB2 SER 14 HB2 SER 14 31.885 -4.552 0.943 94 HB3 SER 14 HB3 SER 14 32.295 -5.824 -0.230 95 H GLY 15 H GLY 15 35.841 -4.405 1.972 96 HA2 GLY 15 HA2 GLY 15 37.747 -3.796 0.776 97 HA3 GLY 15 HA3 GLY 15 37.300 -5.004 -0.430 98 H ARG 16 H ARG 16 34.944 -2.563 0.178 99 HA ARG 16 HA ARG 16 35.457 -1.423 -2.518 100 HE ARG 16 HE ARG 16 29.897 -1.233 -2.638 101 HB2 ARG 16 HB2 ARG 16 33.452 -2.905 -2.105 102 HB3 ARG 16 HB3 ARG 16 32.778 -1.631 -1.078 103 HG2 ARG 16 HG2 ARG 16 32.696 -0.082 -2.979 104 HG3 ARG 16 HG3 ARG 16 33.648 -1.197 -3.966 105 HD2 ARG 16 HD2 ARG 16 31.755 -2.019 -4.786 106 HD3 ARG 16 HD3 ARG 16 31.509 -2.806 -3.244 107 HH11 ARG 16 HH11 ARG 16 31.175 -0.394 -5.786 108 HH12 ARG 16 HH12 ARG 16 29.825 0.627 -6.195 109 HH21 ARG 16 HH21 ARG 16 28.186 0.104 -3.185 110 HH22 ARG 16 HH22 ARG 16 28.183 0.917 -4.720 111 HA PRO 17 HA PRO 17 36.124 2.332 -0.250 112 HB2 PRO 17 HB2 PRO 17 36.357 4.174 -2.273 113 HB3 PRO 17 HB3 PRO 17 37.594 2.932 -1.913 114 HG2 PRO 17 HG2 PRO 17 35.417 2.837 -4.018 115 HG3 PRO 17 HG3 PRO 17 37.155 2.434 -4.196 116 HD2 PRO 17 HD2 PRO 17 35.222 0.541 -3.785 117 HD3 PRO 17 HD3 PRO 17 36.879 0.357 -3.135 118 HA PRO 18 HA PRO 18 32.031 4.035 0.180 119 HB2 PRO 18 HB2 PRO 18 32.531 6.368 1.587 120 HB3 PRO 18 HB3 PRO 18 32.521 4.733 2.290 121 HG2 PRO 18 HG2 PRO 18 34.893 6.362 1.363 122 HG3 PRO 18 HG3 PRO 18 34.729 5.383 2.856 123 HD2 PRO 18 HD2 PRO 18 36.036 4.467 0.644 124 HD3 PRO 18 HD3 PRO 18 35.075 3.373 1.683 125 HA PRO 19 HA PRO 19 31.918 6.963 -3.274 126 HB2 PRO 19 HB2 PRO 19 29.236 7.149 -3.653 127 HB3 PRO 19 HB3 PRO 19 30.158 5.665 -4.040 128 HG2 PRO 19 HG2 PRO 19 28.532 6.245 -1.549 129 HG3 PRO 19 HG3 PRO 19 28.543 4.759 -2.544 130 HD2 PRO 19 HD2 PRO 19 30.005 5.045 -0.233 131 HD3 PRO 19 HD3 PRO 19 30.525 4.003 -1.593 132 H SER 20 H SER 20 32.781 8.762 -2.379 133 HA SER 20 HA SER 20 31.238 10.592 -0.609 134 HG SER 20 HG SER 20 33.451 9.107 -0.194 135 HB2 SER 20 HB2 SER 20 34.054 10.825 -1.755 136 HB3 SER 20 HB3 SER 20 33.315 11.903 -0.551 Start of MODEL 26 1 HA ASP 1 HA ASP 1 21.727 7.323 -4.892 2 H1 ASP 1 H1 ASP 1 21.106 6.704 -2.690 3 H2 ASP 1 H2 ASP 1 22.247 7.703 -2.036 4 H3 ASP 1 H3 ASP 1 20.992 8.342 -2.892 5 HB2 ASP 1 HB2 ASP 1 22.536 9.604 -4.135 6 HB3 ASP 1 HB3 ASP 1 24.056 8.837 -3.667 7 H ALA 2 H ALA 2 24.969 7.168 -3.591 8 HA ALA 2 HA ALA 2 25.002 4.268 -4.135 9 HB1 ALA 2 HB3 ALA 2 27.405 4.665 -4.420 10 HB2 ALA 2 HB1 ALA 2 26.446 5.814 -5.372 11 HB3 ALA 2 HB2 ALA 2 27.204 6.347 -3.861 12 H TYR 3 H TYR 3 25.839 6.460 -1.419 13 HA TYR 3 HA TYR 3 27.252 4.683 0.180 14 HD1 TYR 3 HD1 TYR 3 29.047 6.459 1.361 15 HD2 TYR 3 HD2 TYR 3 25.378 6.010 3.593 16 HE1 TYR 3 HE1 TYR 3 30.354 6.149 3.466 17 HE2 TYR 3 HE2 TYR 3 26.698 5.772 5.697 18 HH TYR 3 HH TYR 3 29.157 6.528 6.463 19 HB2 TYR 3 HB2 TYR 3 26.845 7.191 0.458 20 HB3 TYR 3 HB3 TYR 3 25.340 6.775 1.267 21 H ALA 4 H ALA 4 23.735 4.949 -0.079 22 HA ALA 4 HA ALA 4 22.918 3.235 2.028 23 HB1 ALA 4 HB3 ALA 4 20.858 2.998 0.700 24 HB2 ALA 4 HB1 ALA 4 21.407 4.684 0.686 25 HB3 ALA 4 HB2 ALA 4 21.676 3.646 -0.735 26 H GLN 5 H GLN 5 24.034 2.455 -1.292 27 HA GLN 5 HA GLN 5 23.553 -0.397 -0.959 28 HB2 GLN 5 HB2 GLN 5 23.629 1.078 -3.178 29 HB3 GLN 5 HB3 GLN 5 25.365 0.790 -3.071 30 HG2 GLN 5 HG2 GLN 5 24.559 -0.935 -4.461 31 HG3 GLN 5 HG3 GLN 5 24.759 -1.732 -2.900 32 HE21 GLN 5 HE22 GLN 5 22.592 -1.428 -5.498 33 HE22 GLN 5 HE21 GLN 5 21.129 -1.775 -4.579 34 H TRP 6 H TRP 6 26.361 1.807 -0.796 35 HA TRP 6 HA TRP 6 28.401 -0.094 -0.353 36 HD1 TRP 6 HD1 TRP 6 31.024 0.873 -0.913 37 HE1 TRP 6 HE1 TRP 6 33.125 0.852 0.610 38 HE3 TRP 6 HE3 TRP 6 29.021 2.980 3.313 39 HZ2 TRP 6 HZ2 TRP 6 33.850 1.754 3.192 40 HZ3 TRP 6 HZ3 TRP 6 30.455 3.377 5.299 41 HH2 TRP 6 HH2 TRP 6 32.868 2.796 5.248 42 HB2 TRP 6 HB2 TRP 6 28.706 2.357 -0.720 43 HB3 TRP 6 HB3 TRP 6 28.147 2.655 0.920 44 H LEU 7 H LEU 7 26.301 1.434 2.149 45 HA LEU 7 HA LEU 7 27.324 -0.039 4.375 46 HG LEU 7 HG LEU 7 26.388 2.793 4.019 47 HB2 LEU 7 HB2 LEU 7 24.534 1.038 3.819 48 HB3 LEU 7 HB3 LEU 7 25.051 0.413 5.382 49 HD11 LEU 7 HD11 LEU 7 24.053 3.311 4.481 50 HD12 LEU 7 HD12 LEU 7 24.194 2.664 6.131 51 HD13 LEU 7 HD13 LEU 7 25.071 4.134 5.672 52 HD21 LEU 7 HD23 LEU 7 27.299 3.255 6.239 53 HD22 LEU 7 HD21 LEU 7 26.499 1.813 6.901 54 HD23 LEU 7 HD22 LEU 7 27.809 1.654 5.708 55 H LYS 8 H LYS 8 24.833 -0.963 2.011 56 HA LYS 8 HA LYS 8 23.900 -3.340 3.286 57 HB2 LYS 8 HB2 LYS 8 23.530 -1.944 0.774 58 HB3 LYS 8 HB3 LYS 8 23.890 -3.610 0.396 59 HG2 LYS 8 HG2 LYS 8 21.906 -3.372 2.574 60 HG3 LYS 8 HG3 LYS 8 21.412 -2.458 1.166 61 HD2 LYS 8 HD2 LYS 8 22.294 -5.363 0.914 62 HD3 LYS 8 HD3 LYS 8 20.669 -4.921 1.424 63 HE2 LYS 8 HE2 LYS 8 20.575 -5.355 -0.911 64 HE3 LYS 8 HE3 LYS 8 20.310 -3.628 -0.651 65 HZ1 LYS 8 HZ3 LYS 8 21.859 -4.251 -2.502 66 HZ2 LYS 8 HZ1 LYS 8 22.395 -3.123 -1.489 67 HZ3 LYS 8 HZ2 LYS 8 22.985 -4.677 -1.368 68 H ASP 9 H ASP 9 26.703 -2.830 1.218 69 HA ASP 9 HA ASP 9 27.527 -5.648 1.286 70 HB2 ASP 9 HB2 ASP 9 28.653 -3.090 0.099 71 HB3 ASP 9 HB3 ASP 9 29.560 -4.601 0.092 72 H GLY 10 H GLY 10 27.267 -4.114 3.903 73 HA2 GLY 10 HA2 GLY 10 28.339 -4.278 5.948 74 HA3 GLY 10 HA3 GLY 10 29.631 -5.211 5.184 75 H GLY 11 H GLY 11 28.796 -2.081 3.879 76 HA2 GLY 11 HA2 GLY 11 29.947 -0.140 3.613 77 HA3 GLY 11 HA3 GLY 11 30.441 -0.276 5.294 78 HA PRO 12 HA PRO 12 34.423 -0.812 3.241 79 HB2 PRO 12 HB2 PRO 12 36.102 -0.884 5.383 80 HB3 PRO 12 HB3 PRO 12 35.241 0.598 4.877 81 HG2 PRO 12 HG2 PRO 12 34.506 -1.313 7.102 82 HG3 PRO 12 HG3 PRO 12 34.503 0.480 7.116 83 HD2 PRO 12 HD2 PRO 12 32.260 -1.094 6.672 84 HD3 PRO 12 HD3 PRO 12 32.435 0.570 6.064 85 H SER 13 H SER 13 32.851 -3.225 5.154 86 HA SER 13 HA SER 13 34.872 -5.139 5.523 87 HG SER 13 HG SER 13 33.903 -7.008 6.583 88 HB2 SER 13 HB2 SER 13 32.571 -5.138 6.525 89 HB3 SER 13 HB3 SER 13 31.939 -5.716 4.970 90 H SER 14 H SER 14 32.709 -4.826 2.651 91 HA SER 14 HA SER 14 33.922 -6.985 1.190 92 HG SER 14 HG SER 14 30.658 -6.223 0.411 93 HB2 SER 14 HB2 SER 14 32.159 -4.648 0.417 94 HB3 SER 14 HB3 SER 14 32.761 -5.810 -0.784 95 H GLY 15 H GLY 15 35.625 -4.266 2.082 96 HA2 GLY 15 HA2 GLY 15 37.669 -3.514 1.333 97 HA3 GLY 15 HA3 GLY 15 37.609 -4.699 0.029 98 H ARG 16 H ARG 16 34.899 -2.682 0.050 99 HA ARG 16 HA ARG 16 35.723 -1.286 -2.416 100 HE ARG 16 HE ARG 16 31.756 0.413 -4.802 101 HB2 ARG 16 HB2 ARG 16 33.563 -2.547 -2.228 102 HB3 ARG 16 HB3 ARG 16 33.070 -1.483 -0.919 103 HG2 ARG 16 HG2 ARG 16 31.910 -0.697 -2.763 104 HG3 ARG 16 HG3 ARG 16 33.227 0.463 -2.603 105 HD2 ARG 16 HD2 ARG 16 34.428 -0.596 -4.463 106 HD3 ARG 16 HD3 ARG 16 33.245 -1.917 -4.511 107 HH11 ARG 16 HH11 ARG 16 34.287 -1.073 -6.690 108 HH12 ARG 16 HH12 ARG 16 33.653 -0.506 -8.212 109 HH21 ARG 16 HH21 ARG 16 30.927 1.087 -6.755 110 HH22 ARG 16 HH22 ARG 16 31.757 0.698 -8.228 111 HA PRO 17 HA PRO 17 36.438 2.406 0.106 112 HB2 PRO 17 HB2 PRO 17 36.747 4.310 -1.862 113 HB3 PRO 17 HB3 PRO 17 38.004 3.116 -1.419 114 HG2 PRO 17 HG2 PRO 17 36.021 2.983 -3.702 115 HG3 PRO 17 HG3 PRO 17 37.778 2.628 -3.731 116 HD2 PRO 17 HD2 PRO 17 35.868 0.683 -3.531 117 HD3 PRO 17 HD3 PRO 17 37.461 0.521 -2.732 118 HA PRO 18 HA PRO 18 32.286 3.967 0.320 119 HB2 PRO 18 HB2 PRO 18 32.615 6.330 1.732 120 HB3 PRO 18 HB3 PRO 18 32.629 4.697 2.446 121 HG2 PRO 18 HG2 PRO 18 34.987 6.407 1.630 122 HG3 PRO 18 HG3 PRO 18 34.776 5.442 3.127 123 HD2 PRO 18 HD2 PRO 18 36.237 4.536 1.015 124 HD3 PRO 18 HD3 PRO 18 35.236 3.424 1.998 125 HA PRO 19 HA PRO 19 32.212 6.939 -3.096 126 HB2 PRO 19 HB2 PRO 19 29.564 6.959 -3.649 127 HB3 PRO 19 HB3 PRO 19 30.593 5.531 -3.973 128 HG2 PRO 19 HG2 PRO 19 28.769 6.000 -1.596 129 HG3 PRO 19 HG3 PRO 19 28.934 4.523 -2.595 130 HD2 PRO 19 HD2 PRO 19 30.228 4.892 -0.187 131 HD3 PRO 19 HD3 PRO 19 30.885 3.880 -1.510 132 H SER 20 H SER 20 32.887 8.819 -2.148 133 HA SER 20 HA SER 20 31.128 10.600 -0.590 134 HG SER 20 HG SER 20 32.953 10.544 0.703 135 HB2 SER 20 HB2 SER 20 33.840 11.013 -1.945 136 HB3 SER 20 HB3 SER 20 32.994 12.237 -0.980 Start of MODEL 27 1 HA ASP 1 HA ASP 1 25.151 8.619 -3.535 2 H1 ASP 1 H1 ASP 1 25.904 8.785 -5.775 3 H2 ASP 1 H2 ASP 1 24.356 8.676 -6.357 4 H3 ASP 1 H3 ASP 1 24.799 9.986 -5.449 5 HB2 ASP 1 HB2 ASP 1 22.456 8.862 -4.866 6 HB3 ASP 1 HB3 ASP 1 22.624 8.134 -3.253 7 H ALA 2 H ALA 2 26.061 6.742 -3.123 8 HA ALA 2 HA ALA 2 24.505 4.294 -3.734 9 HB1 ALA 2 HB3 ALA 2 26.561 3.084 -4.371 10 HB2 ALA 2 HB1 ALA 2 26.202 4.420 -5.476 11 HB3 ALA 2 HB2 ALA 2 27.488 4.600 -4.272 12 H TYR 3 H TYR 3 25.502 6.178 -1.306 13 HA TYR 3 HA TYR 3 27.128 4.617 0.370 14 HD1 TYR 3 HD1 TYR 3 26.130 5.050 3.532 15 HD2 TYR 3 HD2 TYR 3 28.377 7.859 1.137 16 HE1 TYR 3 HE1 TYR 3 27.851 5.233 5.330 17 HE2 TYR 3 HE2 TYR 3 30.062 8.048 2.926 18 HH TYR 3 HH TYR 3 30.471 7.587 5.185 19 HB2 TYR 3 HB2 TYR 3 26.288 7.153 0.397 20 HB3 TYR 3 HB3 TYR 3 25.107 6.525 1.528 21 H ALA 4 H ALA 4 23.564 4.718 0.156 22 HA ALA 4 HA ALA 4 22.969 3.047 2.378 23 HB1 ALA 4 HB3 ALA 4 20.781 2.844 1.358 24 HB2 ALA 4 HB1 ALA 4 21.355 4.498 1.078 25 HB3 ALA 4 HB2 ALA 4 21.415 3.300 -0.237 26 H GLN 5 H GLN 5 23.981 2.238 -0.927 27 HA GLN 5 HA GLN 5 23.529 -0.638 -0.593 28 HB2 GLN 5 HB2 GLN 5 23.506 0.729 -2.828 29 HB3 GLN 5 HB3 GLN 5 25.266 0.644 -2.716 30 HG2 GLN 5 HG2 GLN 5 24.463 -2.011 -2.219 31 HG3 GLN 5 HG3 GLN 5 23.275 -1.447 -3.389 32 HE21 GLN 5 HE22 GLN 5 26.468 -2.729 -2.990 33 HE22 GLN 5 HE21 GLN 5 26.947 -2.402 -4.667 34 H TRP 6 H TRP 6 26.333 1.637 -0.592 35 HA TRP 6 HA TRP 6 28.405 -0.173 -0.094 36 HD1 TRP 6 HD1 TRP 6 30.947 0.971 -0.809 37 HE1 TRP 6 HE1 TRP 6 33.105 0.889 0.625 38 HE3 TRP 6 HE3 TRP 6 29.072 2.771 3.602 39 HZ2 TRP 6 HZ2 TRP 6 33.914 1.659 3.232 40 HZ3 TRP 6 HZ3 TRP 6 30.573 3.084 5.557 41 HH2 TRP 6 HH2 TRP 6 32.993 2.552 5.383 42 HB2 TRP 6 HB2 TRP 6 28.608 2.304 -0.465 43 HB3 TRP 6 HB3 TRP 6 28.105 2.565 1.199 44 H LEU 7 H LEU 7 26.347 1.362 2.435 45 HA LEU 7 HA LEU 7 27.387 -0.216 4.603 46 HG LEU 7 HG LEU 7 26.667 2.691 4.333 47 HB2 LEU 7 HB2 LEU 7 24.677 1.109 4.220 48 HB3 LEU 7 HB3 LEU 7 25.223 0.397 5.739 49 HD11 LEU 7 HD11 LEU 7 24.430 3.383 5.059 50 HD12 LEU 7 HD12 LEU 7 24.727 2.719 6.682 51 HD13 LEU 7 HD13 LEU 7 25.666 4.109 6.099 52 HD21 LEU 7 HD23 LEU 7 27.778 2.992 6.525 53 HD22 LEU 7 HD21 LEU 7 26.958 1.546 7.147 54 HD23 LEU 7 HD22 LEU 7 28.154 1.412 5.839 55 H LYS 8 H LYS 8 24.779 -0.963 2.291 56 HA LYS 8 HA LYS 8 23.736 -3.284 3.593 57 HB2 LYS 8 HB2 LYS 8 22.807 -1.953 1.547 58 HB3 LYS 8 HB3 LYS 8 23.915 -2.902 0.578 59 HG2 LYS 8 HG2 LYS 8 21.867 -4.021 0.392 60 HG3 LYS 8 HG3 LYS 8 22.855 -4.996 1.463 61 HD2 LYS 8 HD2 LYS 8 20.839 -5.062 2.544 62 HD3 LYS 8 HD3 LYS 8 21.573 -3.721 3.407 63 HE2 LYS 8 HE2 LYS 8 19.634 -3.502 1.050 64 HE3 LYS 8 HE3 LYS 8 19.174 -3.386 2.750 65 HZ1 LYS 8 HZ3 LYS 8 19.427 -1.200 1.821 66 HZ2 LYS 8 HZ1 LYS 8 20.623 -1.429 2.929 67 HZ3 LYS 8 HZ2 LYS 8 20.966 -1.504 1.331 68 H ASP 9 H ASP 9 26.405 -2.952 1.272 69 HA ASP 9 HA ASP 9 27.107 -5.787 1.326 70 HB2 ASP 9 HB2 ASP 9 28.526 -3.335 0.222 71 HB3 ASP 9 HB3 ASP 9 29.061 -5.004 -0.016 72 H GLY 10 H GLY 10 27.199 -4.099 3.937 73 HA2 GLY 10 HA2 GLY 10 28.312 -4.549 5.920 74 HA3 GLY 10 HA3 GLY 10 29.572 -5.422 5.045 75 H GLY 11 H GLY 11 28.770 -2.199 3.930 76 HA2 GLY 11 HA2 GLY 11 29.901 -0.227 3.911 77 HA3 GLY 11 HA3 GLY 11 30.483 -0.580 5.534 78 HA PRO 12 HA PRO 12 34.294 -0.981 3.128 79 HB2 PRO 12 HB2 PRO 12 36.136 -1.129 5.124 80 HB3 PRO 12 HB3 PRO 12 35.244 0.371 4.740 81 HG2 PRO 12 HG2 PRO 12 34.690 -1.616 6.951 82 HG3 PRO 12 HG3 PRO 12 34.678 0.176 7.022 83 HD2 PRO 12 HD2 PRO 12 32.415 -1.415 6.701 84 HD3 PRO 12 HD3 PRO 12 32.526 0.281 6.159 85 H SER 13 H SER 13 32.918 -3.503 5.120 86 HA SER 13 HA SER 13 34.974 -5.407 5.184 87 HG SER 13 HG SER 13 32.248 -6.105 7.217 88 HB2 SER 13 HB2 SER 13 31.964 -5.755 4.994 89 HB3 SER 13 HB3 SER 13 33.093 -7.094 5.282 90 H SER 14 H SER 14 32.878 -4.621 2.417 91 HA SER 14 HA SER 14 33.688 -6.906 0.823 92 HG SER 14 HG SER 14 30.878 -4.911 1.343 93 HB2 SER 14 HB2 SER 14 32.629 -4.975 -0.884 94 HB3 SER 14 HB3 SER 14 31.753 -6.303 -0.129 95 H GLY 15 H GLY 15 35.506 -4.224 1.760 96 HA2 GLY 15 HA2 GLY 15 37.556 -3.494 1.018 97 HA3 GLY 15 HA3 GLY 15 37.482 -4.632 -0.327 98 H ARG 16 H ARG 16 34.731 -2.712 -0.272 99 HA ARG 16 HA ARG 16 35.485 -1.201 -2.671 100 HE ARG 16 HE ARG 16 31.270 0.890 -4.471 101 HB2 ARG 16 HB2 ARG 16 33.326 -2.415 -2.470 102 HB3 ARG 16 HB3 ARG 16 32.925 -1.478 -1.043 103 HG2 ARG 16 HG2 ARG 16 31.683 -0.322 -2.491 104 HG3 ARG 16 HG3 ARG 16 33.159 0.598 -2.753 105 HD2 ARG 16 HD2 ARG 16 33.612 -0.639 -4.808 106 HD3 ARG 16 HD3 ARG 16 32.285 -1.770 -4.450 107 HH11 ARG 16 HH11 ARG 16 32.377 -1.476 -6.777 108 HH12 ARG 16 HH12 ARG 16 31.277 -0.959 -8.029 109 HH21 ARG 16 HH21 ARG 16 29.823 1.511 -6.066 110 HH22 ARG 16 HH22 ARG 16 29.854 0.721 -7.610 111 HA PRO 17 HA PRO 17 36.330 2.452 -0.122 112 HB2 PRO 17 HB2 PRO 17 36.508 4.381 -2.089 113 HB3 PRO 17 HB3 PRO 17 37.804 3.211 -1.702 114 HG2 PRO 17 HG2 PRO 17 35.746 3.062 -3.914 115 HG3 PRO 17 HG3 PRO 17 37.502 2.714 -3.997 116 HD2 PRO 17 HD2 PRO 17 35.597 0.759 -3.744 117 HD3 PRO 17 HD3 PRO 17 37.224 0.599 -3.014 118 HA PRO 18 HA PRO 18 32.153 3.967 0.294 119 HB2 PRO 18 HB2 PRO 18 32.529 6.223 1.855 120 HB3 PRO 18 HB3 PRO 18 32.561 4.547 2.461 121 HG2 PRO 18 HG2 PRO 18 34.898 6.308 1.696 122 HG3 PRO 18 HG3 PRO 18 34.725 5.248 3.133 123 HD2 PRO 18 HD2 PRO 18 36.127 4.486 0.923 124 HD3 PRO 18 HD3 PRO 18 35.163 3.309 1.866 125 HA PRO 19 HA PRO 19 32.053 7.121 -2.944 126 HB2 PRO 19 HB2 PRO 19 29.374 7.305 -3.356 127 HB3 PRO 19 HB3 PRO 19 30.312 5.849 -3.810 128 HG2 PRO 19 HG2 PRO 19 28.631 6.281 -1.324 129 HG3 PRO 19 HG3 PRO 19 28.681 4.848 -2.394 130 HD2 PRO 19 HD2 PRO 19 30.097 5.044 -0.038 131 HD3 PRO 19 HD3 PRO 19 30.636 4.057 -1.432 132 H SER 20 H SER 20 32.296 9.251 -2.712 133 HA SER 20 HA SER 20 31.245 10.737 -0.399 134 HG SER 20 HG SER 20 31.402 12.953 -1.120 135 HB2 SER 20 HB2 SER 20 33.562 11.170 -1.327 136 HB3 SER 20 HB3 SER 20 32.773 11.800 -2.804 Start of MODEL 28 1 HA ASP 1 HA ASP 1 24.567 8.482 -4.034 2 H1 ASP 1 H1 ASP 1 26.672 9.070 -3.051 3 H2 ASP 1 H2 ASP 1 27.433 8.927 -4.490 4 H3 ASP 1 H3 ASP 1 26.287 10.101 -4.291 5 HB2 ASP 1 HB2 ASP 1 25.780 9.193 -6.428 6 HB3 ASP 1 HB3 ASP 1 25.713 7.424 -6.529 7 H ALA 2 H ALA 2 24.105 6.080 -4.820 8 HA ALA 2 HA ALA 2 24.158 3.886 -4.159 9 HB1 ALA 2 HB3 ALA 2 26.100 2.674 -4.834 10 HB2 ALA 2 HB1 ALA 2 25.938 4.070 -5.916 11 HB3 ALA 2 HB2 ALA 2 27.148 4.090 -4.615 12 H TYR 3 H TYR 3 25.235 5.957 -1.925 13 HA TYR 3 HA TYR 3 26.845 4.611 -0.132 14 HD1 TYR 3 HD2 TYR 3 28.382 6.221 1.132 15 HD2 TYR 3 HD1 TYR 3 24.468 6.703 2.892 16 HE1 TYR 3 HE2 TYR 3 29.408 6.280 3.395 17 HE2 TYR 3 HE1 TYR 3 25.513 6.842 5.151 18 HH TYR 3 HH TYR 3 28.897 6.074 5.705 19 HB2 TYR 3 HB2 TYR 3 26.260 7.041 -0.169 20 HB3 TYR 3 HB3 TYR 3 24.692 6.654 0.530 21 H ALA 4 H ALA 4 23.261 4.541 -0.148 22 HA ALA 4 HA ALA 4 22.845 3.005 2.199 23 HB1 ALA 4 HB3 ALA 4 20.684 2.428 1.143 24 HB2 ALA 4 HB1 ALA 4 21.052 4.150 0.935 25 HB3 ALA 4 HB2 ALA 4 21.273 3.024 -0.423 26 H GLN 5 H GLN 5 23.534 1.944 -1.150 27 HA GLN 5 HA GLN 5 23.362 -0.862 -0.555 28 HB2 GLN 5 HB2 GLN 5 23.132 0.430 -2.809 29 HB3 GLN 5 HB3 GLN 5 24.890 0.246 -2.918 30 HG2 GLN 5 HG2 GLN 5 24.698 -2.178 -2.820 31 HG3 GLN 5 HG3 GLN 5 22.989 -2.087 -2.375 32 HE21 GLN 5 HE22 GLN 5 24.216 -3.517 -4.742 33 HE22 GLN 5 HE21 GLN 5 23.334 -2.746 -6.073 34 H TRP 6 H TRP 6 26.082 1.465 -0.786 35 HA TRP 6 HA TRP 6 28.220 -0.308 -0.229 36 HD1 TRP 6 HD1 TRP 6 30.765 0.786 -1.096 37 HE1 TRP 6 HE1 TRP 6 32.911 0.836 0.357 38 HE3 TRP 6 HE3 TRP 6 28.883 2.964 3.153 39 HZ2 TRP 6 HZ2 TRP 6 33.732 1.867 2.839 40 HZ3 TRP 6 HZ3 TRP 6 30.399 3.455 5.066 41 HH2 TRP 6 HH2 TRP 6 32.825 2.946 4.910 42 HB2 TRP 6 HB2 TRP 6 28.407 2.108 -0.866 43 HB3 TRP 6 HB3 TRP 6 27.918 2.553 0.762 44 H LEU 7 H LEU 7 26.193 1.460 2.180 45 HA LEU 7 HA LEU 7 27.319 0.197 4.492 46 HG LEU 7 HG LEU 7 26.413 3.000 3.869 47 HB2 LEU 7 HB2 LEU 7 24.519 1.274 4.000 48 HB3 LEU 7 HB3 LEU 7 25.142 0.815 5.581 49 HD11 LEU 7 HD11 LEU 7 24.174 3.697 4.375 50 HD12 LEU 7 HD12 LEU 7 24.298 3.119 6.056 51 HD13 LEU 7 HD13 LEU 7 25.243 4.517 5.526 52 HD21 LEU 7 HD23 LEU 7 27.476 3.701 5.937 53 HD22 LEU 7 HD21 LEU 7 26.684 2.394 6.840 54 HD23 LEU 7 HD22 LEU 7 27.912 2.021 5.608 55 H LYS 8 H LYS 8 24.577 -0.843 2.440 56 HA LYS 8 HA LYS 8 23.834 -3.154 3.917 57 HB2 LYS 8 HB2 LYS 8 23.436 -2.101 1.157 58 HB3 LYS 8 HB3 LYS 8 23.260 -3.824 1.275 59 HG2 LYS 8 HG2 LYS 8 21.774 -1.815 3.019 60 HG3 LYS 8 HG3 LYS 8 21.143 -2.515 1.529 61 HD2 LYS 8 HD2 LYS 8 21.797 -4.061 4.086 62 HD3 LYS 8 HD3 LYS 8 20.210 -3.644 3.457 63 HE2 LYS 8 HE2 LYS 8 20.230 -5.693 2.532 64 HE3 LYS 8 HE3 LYS 8 21.185 -4.914 1.271 65 HZ1 LYS 8 HZ3 LYS 8 22.321 -6.879 1.964 66 HZ2 LYS 8 HZ1 LYS 8 23.213 -5.651 2.595 67 HZ3 LYS 8 HZ2 LYS 8 22.204 -6.502 3.558 68 H ASP 9 H ASP 9 26.631 -2.764 1.939 69 HA ASP 9 HA ASP 9 27.268 -5.668 1.936 70 HB2 ASP 9 HB2 ASP 9 28.397 -3.201 0.564 71 HB3 ASP 9 HB3 ASP 9 29.312 -4.699 0.636 72 H GLY 10 H GLY 10 27.229 -3.786 4.439 73 HA2 GLY 10 HA2 GLY 10 28.404 -3.912 6.449 74 HA3 GLY 10 HA3 GLY 10 29.646 -4.902 5.679 75 H GLY 11 H GLY 11 28.720 -1.880 4.172 76 HA2 GLY 11 HA2 GLY 11 29.859 0.040 3.724 77 HA3 GLY 11 HA3 GLY 11 30.513 -0.025 5.357 78 HA PRO 12 HA PRO 12 34.231 -0.733 2.912 79 HB2 PRO 12 HB2 PRO 12 36.152 -0.621 4.840 80 HB3 PRO 12 HB3 PRO 12 35.226 0.806 4.302 81 HG2 PRO 12 HG2 PRO 12 34.809 -0.856 6.784 82 HG3 PRO 12 HG3 PRO 12 34.726 0.923 6.590 83 HD2 PRO 12 HD2 PRO 12 32.533 -0.811 6.589 84 HD3 PRO 12 HD3 PRO 12 32.530 0.820 5.879 85 H SER 13 H SER 13 32.935 -3.026 5.187 86 HA SER 13 HA SER 13 35.014 -4.899 5.377 87 HG SER 13 HG SER 13 33.925 -5.241 7.477 88 HB2 SER 13 HB2 SER 13 32.002 -5.300 5.373 89 HB3 SER 13 HB3 SER 13 33.172 -6.562 5.803 90 H SER 14 H SER 14 32.714 -4.550 2.666 91 HA SER 14 HA SER 14 33.668 -6.977 1.343 92 HG SER 14 HG SER 14 30.344 -6.307 0.860 93 HB2 SER 14 HB2 SER 14 31.820 -4.729 0.518 94 HB3 SER 14 HB3 SER 14 32.305 -6.019 -0.606 95 H GLY 15 H GLY 15 35.557 -4.421 1.907 96 HA2 GLY 15 HA2 GLY 15 37.562 -3.820 0.921 97 HA3 GLY 15 HA3 GLY 15 37.264 -5.005 -0.352 98 H ARG 16 H ARG 16 34.821 -2.605 0.133 99 HA ARG 16 HA ARG 16 35.542 -1.387 -2.483 100 HE ARG 16 HE ARG 16 30.482 -1.511 -3.215 101 HB2 ARG 16 HB2 ARG 16 33.422 -2.837 -2.117 102 HB3 ARG 16 HB3 ARG 16 32.743 -1.447 -1.273 103 HG2 ARG 16 HG2 ARG 16 32.560 -0.190 -3.251 104 HG3 ARG 16 HG3 ARG 16 33.986 -0.947 -3.962 105 HD2 ARG 16 HD2 ARG 16 32.300 -1.718 -5.302 106 HD3 ARG 16 HD3 ARG 16 32.711 -3.074 -4.247 107 HH11 ARG 16 HH11 ARG 16 31.263 -3.983 -5.544 108 HH12 ARG 16 HH12 ARG 16 29.631 -4.593 -5.638 109 HH21 ARG 16 HH21 ARG 16 28.383 -2.458 -3.217 110 HH22 ARG 16 HH22 ARG 16 28.058 -3.732 -4.309 111 HA PRO 17 HA PRO 17 36.138 2.300 -0.092 112 HB2 PRO 17 HB2 PRO 17 36.418 4.224 -2.035 113 HB3 PRO 17 HB3 PRO 17 37.651 2.973 -1.688 114 HG2 PRO 17 HG2 PRO 17 35.564 2.990 -3.875 115 HG3 PRO 17 HG3 PRO 17 37.294 2.537 -3.985 116 HD2 PRO 17 HD2 PRO 17 35.239 0.736 -3.723 117 HD3 PRO 17 HD3 PRO 17 36.885 0.411 -3.101 118 HA PRO 18 HA PRO 18 32.098 4.083 0.364 119 HB2 PRO 18 HB2 PRO 18 32.617 6.446 1.685 120 HB3 PRO 18 HB3 PRO 18 32.671 4.831 2.435 121 HG2 PRO 18 HG2 PRO 18 34.971 6.473 1.361 122 HG3 PRO 18 HG3 PRO 18 34.883 5.550 2.896 123 HD2 PRO 18 HD2 PRO 18 36.115 4.572 0.662 124 HD3 PRO 18 HD3 PRO 18 35.227 3.503 1.789 125 HA PRO 19 HA PRO 19 32.030 6.959 -3.151 126 HB2 PRO 19 HB2 PRO 19 29.443 6.749 -3.869 127 HB3 PRO 19 HB3 PRO 19 30.591 5.396 -4.084 128 HG2 PRO 19 HG2 PRO 19 28.606 5.780 -1.812 129 HG3 PRO 19 HG3 PRO 19 28.903 4.310 -2.788 130 HD2 PRO 19 HD2 PRO 19 30.048 4.808 -0.322 131 HD3 PRO 19 HD3 PRO 19 30.839 3.812 -1.583 132 H SER 20 H SER 20 32.354 9.019 -2.503 133 HA SER 20 HA SER 20 30.082 10.615 -1.413 134 HG SER 20 HG SER 20 33.225 11.270 -1.733 135 HB2 SER 20 HB2 SER 20 31.640 11.836 0.001 136 HB3 SER 20 HB3 SER 20 31.805 10.101 0.391
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