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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8797 |
1mvi ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 2H CYS 1 14.709 28.651 28.651 2 2H CYS 1 1H CYS 1 13.895 27.565 27.565 3 3H CYS 1 3H CYS 1 15.555 27.849 27.849 4 HA CYS 1 HA CYS 1 16.045 26.845 26.845 5 1HB CYS 1 2HB CYS 1 15.871 24.668 24.668 6 2HB CYS 1 1HB CYS 1 15.519 25.494 25.494 7 H LYS 2 H LYS 2 14.700 24.759 24.759 8 HA LYS 2 HA LYS 2 12.236 25.916 25.916 9 1HB LYS 2 2HB LYS 2 14.791 25.018 25.018 10 2HB LYS 2 1HB LYS 2 13.305 24.627 24.627 11 1HG LYS 2 2HG LYS 2 12.637 27.090 27.090 12 2HG LYS 2 1HG LYS 2 14.252 27.393 27.393 13 1HD LYS 2 2HD LYS 2 15.238 27.184 27.184 14 2HD LYS 2 1HD LYS 2 14.143 25.931 25.931 15 1HE LYS 2 2HE LYS 2 12.731 27.464 27.464 16 2HE LYS 2 1HE LYS 2 12.862 28.597 28.597 17 1HZ LYS 2 1HZ LYS 2 15.144 28.180 28.180 18 2HZ LYS 2 3HZ LYS 2 13.865 29.192 29.192 19 3HZ LYS 2 2HZ LYS 2 14.748 29.534 29.534 20 H GLY 3 H GLY 3 10.629 24.621 24.621 21 1HA GLY 3 2HA GLY 3 10.648 21.970 21.970 22 2HA GLY 3 1HA GLY 3 9.256 22.769 22.769 23 H LYS 4 H LYS 4 9.929 20.049 20.049 24 HA LYS 4 HA LYS 4 11.260 19.486 19.486 25 1HB LYS 4 2HB LYS 4 9.252 17.924 17.924 26 2HB LYS 4 1HB LYS 4 9.974 17.264 17.264 27 1HG LYS 4 2HG LYS 4 11.629 16.519 16.519 28 2HG LYS 4 1HG LYS 4 12.245 18.147 18.147 29 1HD LYS 4 2HD LYS 4 12.162 18.066 18.066 30 2HD LYS 4 1HD LYS 4 10.501 18.557 18.557 31 1HE LYS 4 2HE LYS 4 11.361 15.635 15.635 32 2HE LYS 4 1HE LYS 4 10.797 16.567 16.567 33 1HZ LYS 4 2HZ LYS 4 9.262 16.084 16.084 34 2HZ LYS 4 1HZ LYS 4 9.026 15.290 15.290 35 3HZ LYS 4 3HZ LYS 4 8.720 16.956 16.956 36 H GLY 5 H GLY 5 10.563 20.765 20.765 37 1HA GLY 5 2HA GLY 5 9.046 20.297 20.297 38 2HA GLY 5 1HA GLY 5 7.735 20.715 20.715 39 H ALA 6 H ALA 6 10.711 22.257 22.257 40 HA ALA 6 HA ALA 6 9.631 24.874 24.874 41 1HB ALA 6 3HB ALA 6 11.983 24.126 24.126 42 2HB ALA 6 2HB ALA 6 11.478 25.780 25.780 43 3HB ALA 6 1HB ALA 6 10.424 24.699 24.699 44 H LYS 7 H LYS 7 11.010 26.365 26.365 45 HA LYS 7 HA LYS 7 12.461 25.131 25.131 46 1HB LYS 7 2HB LYS 7 11.014 27.145 27.145 47 2HB LYS 7 1HB LYS 7 12.087 28.061 28.061 48 1HG LYS 7 2HG LYS 7 13.789 26.933 26.933 49 2HG LYS 7 1HG LYS 7 12.344 27.388 27.388 50 1HD LYS 7 2HD LYS 7 13.751 29.300 29.300 51 2HD LYS 7 1HD LYS 7 14.203 29.177 29.177 52 1HE LYS 7 2HE LYS 7 11.366 29.804 29.804 53 2HE LYS 7 1HE LYS 7 12.535 31.017 31.017 54 1HZ LYS 7 1HZ LYS 7 12.707 29.714 29.714 55 2HZ LYS 7 3HZ LYS 7 11.306 28.895 28.895 56 3HZ LYS 7 2HZ LYS 7 11.265 30.575 30.575 57 H CYS 8 H CYS 8 14.123 24.082 24.082 58 HA CYS 8 HA CYS 8 16.060 25.651 25.651 59 1HB CYS 8 2HB CYS 8 17.026 23.653 23.653 60 2HB CYS 8 1HB CYS 8 15.360 23.227 23.227 61 H SER 9 H SER 9 18.464 24.344 24.344 62 HA SER 9 HA SER 9 18.799 24.840 24.840 63 1HB SER 9 2HB SER 9 20.779 26.541 26.541 64 2HB SER 9 1HB SER 9 19.846 26.919 26.919 65 HG SER 9 HG SER 9 18.076 27.360 27.360 66 H ARG 10 H ARG 10 20.827 24.122 24.122 67 HA ARG 10 HA ARG 10 21.884 21.837 21.837 68 1HB ARG 10 2HB ARG 10 22.974 23.630 23.630 69 2HB ARG 10 1HB ARG 10 23.870 22.225 22.225 70 1HG ARG 10 2HG ARG 10 21.925 20.777 20.777 71 2HG ARG 10 1HG ARG 10 21.023 22.180 22.180 72 1HD ARG 10 2HD ARG 10 21.900 21.220 21.220 73 2HD ARG 10 1HD ARG 10 23.020 22.542 22.542 74 HE ARG 10 HE ARG 10 24.157 20.423 20.423 75 1HH1 ARG 10 2HH1 ARG 10 23.005 20.909 20.909 76 2HH1 ARG 10 1HH1 ARG 10 24.135 19.792 19.792 77 1HH2 ARG 10 1HH2 ARG 10 25.599 19.012 19.012 78 2HH2 ARG 10 2HH2 ARG 10 25.625 18.704 18.704 79 H LEU 11 H LEU 11 22.920 25.145 25.145 80 HA LEU 11 HA LEU 11 25.199 24.558 24.558 81 1HB LEU 11 2HB LEU 11 25.133 26.164 26.164 82 2HB LEU 11 1HB LEU 11 24.549 27.330 27.330 83 HG LEU 11 HG LEU 11 26.644 26.598 26.598 84 1HD1 LEU 11 2HD1 LEU 11 27.212 24.610 24.610 85 2HD1 LEU 11 1HD1 LEU 11 27.529 25.685 25.685 86 3HD1 LEU 11 3HD1 LEU 11 28.539 25.753 25.753 87 1HD2 LEU 11 1HD2 LEU 11 26.968 28.163 28.163 88 2HD2 LEU 11 3HD2 LEU 11 26.430 28.822 28.822 89 3HD2 LEU 11 2HD2 LEU 11 28.074 28.232 28.232 90 H MET 12 H MET 12 22.224 24.662 24.662 91 HA MET 12 HA MET 12 22.616 26.031 26.031 92 1HB MET 12 2HB MET 12 20.517 26.898 26.898 93 2HB MET 12 1HB MET 12 20.308 27.182 27.182 94 1HG MET 12 2HG MET 12 22.772 28.199 28.199 95 2HG MET 12 1HG MET 12 22.231 28.454 28.454 96 1HE MET 12 2HE MET 12 19.461 29.342 29.342 97 2HE MET 12 1HE MET 12 19.507 31.053 31.053 98 3HE MET 12 3HE MET 12 20.760 30.368 30.368 99 H TYR 13 H TYR 13 22.435 24.193 24.193 100 HA TYR 13 HA TYR 13 20.073 22.414 22.414 101 1HB TYR 13 2HB TYR 13 22.560 22.262 22.262 102 2HB TYR 13 1HB TYR 13 21.315 21.019 21.019 103 HD1 TYR 13 HD2 TYR 13 24.001 22.678 22.678 104 HD2 TYR 13 HD1 TYR 13 21.100 19.557 19.557 105 HE1 TYR 13 HE2 TYR 13 25.065 21.707 21.707 106 HE2 TYR 13 HE1 TYR 13 22.166 18.591 18.591 107 HH TYR 13 HH TYR 13 24.980 20.127 20.127 108 H ASP 14 H ASP 14 19.344 24.775 24.775 109 HA ASP 14 HA ASP 14 19.132 25.875 25.875 110 1HB ASP 14 2HB ASP 14 16.920 26.845 26.845 111 2HB ASP 14 1HB ASP 14 18.486 27.269 27.269 112 H CYS 15 H CYS 15 17.531 23.151 23.151 113 HA CYS 15 HA CYS 15 15.170 23.157 23.157 114 1HB CYS 15 2HB CYS 15 16.617 20.619 20.619 115 2HB CYS 15 1HB CYS 15 14.911 20.951 20.951 116 H CYS 16 H CYS 16 14.649 22.298 22.298 117 HA CYS 16 HA CYS 16 16.455 22.637 22.637 118 1HB CYS 16 2HB CYS 16 13.854 21.249 21.249 119 2HB CYS 16 1HB CYS 16 14.732 20.886 20.886 120 H THR 17 H THR 17 15.676 19.740 19.740 121 HA THR 17 HA THR 17 17.886 18.312 18.312 122 HB THR 17 HB THR 17 15.591 17.382 17.382 123 HG1 THR 17 HG1 THR 17 16.153 15.263 15.263 124 1HG2 THR 17 1HG2 THR 17 15.540 16.727 16.727 125 2HG2 THR 17 3HG2 THR 17 14.368 16.191 16.191 126 3HG2 THR 17 2HG2 THR 17 14.487 17.892 17.892 127 H GLY 18 H GLY 18 18.474 19.861 19.861 128 1HA GLY 18 2HA GLY 18 19.508 19.835 19.835 129 2HA GLY 18 1HA GLY 18 20.298 18.413 18.413 130 H SER 19 H SER 19 16.993 18.949 18.949 131 HA SER 19 HA SER 19 16.646 16.485 16.485 132 1HB SER 19 2HB SER 19 15.068 18.374 18.374 133 2HB SER 19 1HB SER 19 14.348 18.258 18.258 134 HG SER 19 HG SER 19 13.831 16.589 16.589 135 H CYS 20 H CYS 20 17.544 19.571 19.571 136 HA CYS 20 HA CYS 20 16.399 20.221 20.221 137 1HB CYS 20 2HB CYS 20 18.158 21.558 21.558 138 2HB CYS 20 1HB CYS 20 19.354 20.398 20.398 139 H ARG 21 H ARG 21 16.223 19.465 19.465 140 HA ARG 21 HA ARG 21 18.022 17.281 17.281 141 1HB ARG 21 2HB ARG 21 15.040 17.704 17.704 142 2HB ARG 21 1HB ARG 21 16.030 16.511 16.511 143 1HG ARG 21 2HG ARG 21 16.063 15.083 15.083 144 2HG ARG 21 1HG ARG 21 16.240 16.355 16.355 145 1HD ARG 21 2HD ARG 21 14.030 15.093 15.093 146 2HD ARG 21 1HD ARG 21 13.849 16.829 16.829 147 HE ARG 21 HE ARG 21 13.793 15.009 15.009 148 1HH1 ARG 21 1HH2 ARG 21 12.260 17.456 17.456 149 2HH1 ARG 21 2HH2 ARG 21 10.993 17.697 17.697 150 1HH2 ARG 21 2HH1 ARG 21 12.198 15.327 15.327 151 2HH2 ARG 21 1HH1 ARG 21 10.951 16.490 16.490 152 H SER 22 H SER 22 19.182 19.221 19.221 153 HA SER 22 HA SER 22 20.038 20.791 20.791 154 1HB SER 22 2HB SER 22 18.698 18.875 18.875 155 2HB SER 22 1HB SER 22 19.958 20.041 20.041 156 HG SER 22 HG SER 22 20.168 18.093 18.093 157 H GLY 23 H GLY 23 17.417 21.310 21.310 158 1HA GLY 23 2HA GLY 23 16.687 23.740 23.740 159 2HA GLY 23 1HA GLY 23 16.143 22.902 22.902 160 H LYS 24 H LYS 24 15.436 20.593 20.593 161 HA LYS 24 HA LYS 24 12.853 21.792 21.792 162 1HB LYS 24 2HB LYS 24 12.825 20.277 20.277 163 2HB LYS 24 1HB LYS 24 13.112 18.949 18.949 164 1HG LYS 24 2HG LYS 24 10.744 19.054 19.054 165 2HG LYS 24 1HG LYS 24 11.047 19.731 19.731 166 1HD LYS 24 2HD LYS 24 11.167 21.797 21.797 167 2HD LYS 24 1HD LYS 24 9.640 20.945 20.945 168 1HE LYS 24 2HE LYS 24 8.937 21.879 21.879 169 2HE LYS 24 1HE LYS 24 10.504 21.705 21.705 170 1HZ LYS 24 2HZ LYS 24 9.883 23.749 23.749 171 2HZ LYS 24 1HZ LYS 24 9.865 24.017 24.017 172 3HZ LYS 24 3HZ LYS 24 11.314 23.599 23.599 173 H CYS 25 H CYS 25 12.802 21.703 21.703 174 HA CYS 25 HA CYS 25 14.562 19.904 19.904 175 1HB CYS 25 2HB CYS 25 12.324 21.769 21.769 176 2HB CYS 25 1HB CYS 25 13.046 20.720 20.720 177 1HN NH2 26 1HT CYS 25 14.121 17.889 17.889 178 2HN NH2 26 2HT CYS 25 12.663 17.045 17.045 Start of MODEL 2 1 1H CYS 1 2H CYS 1 14.270 27.513 27.513 2 2H CYS 1 1H CYS 1 15.934 27.843 27.843 3 3H CYS 1 3H CYS 1 14.965 28.680 28.680 4 HA CYS 1 HA CYS 1 16.244 27.013 27.013 5 1HB CYS 1 2HB CYS 1 15.833 24.629 24.629 6 2HB CYS 1 1HB CYS 1 16.595 25.503 25.503 7 H LYS 2 H LYS 2 14.949 24.947 24.947 8 HA LYS 2 HA LYS 2 12.310 26.088 26.088 9 1HB LYS 2 2HB LYS 2 14.657 25.102 25.102 10 2HB LYS 2 1HB LYS 2 13.066 24.805 24.805 11 1HG LYS 2 2HG LYS 2 13.984 27.553 27.553 12 2HG LYS 2 1HG LYS 2 14.162 27.003 27.003 13 1HD LYS 2 2HD LYS 2 12.009 27.539 27.539 14 2HD LYS 2 1HD LYS 2 11.415 26.518 26.518 15 1HE LYS 2 2HE LYS 2 11.880 28.391 28.391 16 2HE LYS 2 1HE LYS 2 12.324 29.409 29.409 17 1HZ LYS 2 2HZ LYS 2 10.125 29.071 29.071 18 2HZ LYS 2 1HZ LYS 2 9.701 28.098 28.098 19 3HZ LYS 2 3HZ LYS 2 10.043 29.745 29.745 20 H GLY 3 H GLY 3 10.717 24.734 24.734 21 1HA GLY 3 2HA GLY 3 10.689 22.101 22.101 22 2HA GLY 3 1HA GLY 3 9.300 22.952 22.952 23 H LYS 4 H LYS 4 9.224 20.472 20.472 24 HA LYS 4 HA LYS 4 10.661 19.366 19.366 25 1HB LYS 4 2HB LYS 4 8.669 17.824 17.824 26 2HB LYS 4 1HB LYS 4 9.297 17.947 17.947 27 1HG LYS 4 2HG LYS 4 7.501 19.552 19.552 28 2HG LYS 4 1HG LYS 4 6.880 19.500 19.500 29 1HD LYS 4 2HD LYS 4 6.311 17.148 17.148 30 2HD LYS 4 1HD LYS 4 7.129 17.024 17.024 31 1HE LYS 4 2HE LYS 4 5.501 18.583 18.583 32 2HE LYS 4 1HE LYS 4 4.703 18.793 18.793 33 1HZ LYS 4 3HZ LYS 4 5.036 16.109 16.109 34 2HZ LYS 4 2HZ LYS 4 3.768 17.116 17.116 35 3HZ LYS 4 1HZ LYS 4 3.885 16.665 16.665 36 H GLY 5 H GLY 5 10.404 19.288 19.288 37 1HA GLY 5 2HA GLY 5 9.796 19.896 19.896 38 2HA GLY 5 1HA GLY 5 8.195 20.252 20.252 39 H ALA 6 H ALA 6 10.645 21.983 21.983 40 HA ALA 6 HA ALA 6 9.693 24.505 24.505 41 1HB ALA 6 1HB ALA 6 11.956 23.908 23.908 42 2HB ALA 6 3HB ALA 6 11.340 25.511 25.511 43 3HB ALA 6 2HB ALA 6 10.309 24.345 24.345 44 H LYS 7 H LYS 7 11.070 26.108 26.108 45 HA LYS 7 HA LYS 7 12.687 25.085 25.085 46 1HB LYS 7 2HB LYS 7 12.010 27.859 27.859 47 2HB LYS 7 1HB LYS 7 13.182 27.670 27.670 48 1HG LYS 7 2HG LYS 7 10.361 26.515 26.515 49 2HG LYS 7 1HG LYS 7 10.807 28.064 28.064 50 1HD LYS 7 2HD LYS 7 12.722 26.558 26.558 51 2HD LYS 7 1HD LYS 7 11.543 25.291 25.291 52 1HE LYS 7 2HE LYS 7 10.984 26.141 26.141 53 2HE LYS 7 1HE LYS 7 9.814 26.916 26.916 54 1HZ LYS 7 2HZ LYS 7 11.314 28.840 28.840 55 2HZ LYS 7 1HZ LYS 7 12.340 28.087 28.087 56 3HZ LYS 7 3HZ LYS 7 10.761 28.521 28.521 57 H CYS 8 H CYS 8 14.311 23.917 23.917 58 HA CYS 8 HA CYS 8 16.212 25.215 25.215 59 1HB CYS 8 2HB CYS 8 16.994 23.156 23.156 60 2HB CYS 8 1HB CYS 8 15.393 22.752 22.752 61 H SER 9 H SER 9 18.593 24.132 24.132 62 HA SER 9 HA SER 9 19.179 24.726 24.726 63 1HB SER 9 2HB SER 9 21.034 26.490 26.490 64 2HB SER 9 1HB SER 9 19.713 26.966 26.966 65 HG SER 9 HG SER 9 19.677 27.809 27.809 66 H ARG 10 H ARG 10 21.089 23.890 23.890 67 HA ARG 10 HA ARG 10 22.283 21.816 21.816 68 1HB ARG 10 2HB ARG 10 23.370 23.246 23.246 69 2HB ARG 10 1HB ARG 10 23.979 21.723 21.723 70 1HG ARG 10 2HG ARG 10 21.734 20.692 20.692 71 2HG ARG 10 1HG ARG 10 21.141 22.211 22.211 72 1HD ARG 10 2HD ARG 10 23.261 21.923 21.923 73 2HD ARG 10 1HD ARG 10 23.024 20.224 20.224 74 HE ARG 10 HE ARG 10 20.516 21.457 21.457 75 1HH1 ARG 10 2HH1 ARG 10 23.473 20.257 20.257 76 2HH1 ARG 10 1HH1 ARG 10 22.755 19.876 19.876 77 1HH2 ARG 10 1HH2 ARG 10 19.584 20.986 20.986 78 2HH2 ARG 10 2HH2 ARG 10 20.518 20.299 20.299 79 H LEU 11 H LEU 11 22.973 25.153 25.153 80 HA LEU 11 HA LEU 11 25.534 24.992 24.992 81 1HB LEU 11 2HB LEU 11 25.781 27.386 27.386 82 2HB LEU 11 1HB LEU 11 25.541 26.361 26.361 83 HG LEU 11 HG LEU 11 22.982 27.406 27.406 84 1HD1 LEU 11 2HD1 LEU 11 24.974 29.336 29.336 85 2HD1 LEU 11 1HD1 LEU 11 23.286 29.691 29.691 86 3HD1 LEU 11 3HD1 LEU 11 24.393 29.379 29.379 87 1HD2 LEU 11 1HD2 LEU 11 23.175 26.184 26.184 88 2HD2 LEU 11 3HD2 LEU 11 22.458 27.775 27.775 89 3HD2 LEU 11 2HD2 LEU 11 24.134 27.516 27.516 90 H MET 12 H MET 12 22.312 25.441 25.441 91 HA MET 12 HA MET 12 22.873 26.430 26.430 92 1HB MET 12 2HB MET 12 21.595 28.016 28.016 93 2HB MET 12 1HB MET 12 20.498 27.817 27.817 94 1HG MET 12 2HG MET 12 23.312 28.899 28.899 95 2HG MET 12 1HG MET 12 21.844 29.815 29.815 96 1HE MET 12 3HE MET 12 20.013 28.798 28.798 97 2HE MET 12 2HE MET 12 20.591 29.126 29.126 98 3HE MET 12 1HE MET 12 20.746 30.372 30.372 99 H TYR 13 H TYR 13 22.441 24.464 24.464 100 HA TYR 13 HA TYR 13 19.909 23.060 23.060 101 1HB TYR 13 2HB TYR 13 21.787 22.284 22.284 102 2HB TYR 13 1HB TYR 13 20.814 21.245 21.245 103 HD1 TYR 13 HD1 TYR 13 21.640 20.571 20.571 104 HD2 TYR 13 HD2 TYR 13 23.959 23.106 23.106 105 HE1 TYR 13 HE1 TYR 13 23.613 20.147 20.147 106 HE2 TYR 13 HE2 TYR 13 25.929 22.679 22.679 107 HH TYR 13 HH TYR 13 25.735 20.662 20.662 108 H ASP 14 H ASP 14 19.011 25.240 25.240 109 HA ASP 14 HA ASP 14 18.820 26.218 26.218 110 1HB ASP 14 2HB ASP 14 17.797 27.004 27.004 111 2HB ASP 14 1HB ASP 14 16.415 26.200 26.200 112 H CYS 15 H CYS 15 17.328 23.455 23.455 113 HA CYS 15 HA CYS 15 15.117 22.973 22.973 114 1HB CYS 15 2HB CYS 15 17.009 20.740 20.740 115 2HB CYS 15 1HB CYS 15 15.267 20.744 20.744 116 H CYS 16 H CYS 16 14.721 22.318 22.318 117 HA CYS 16 HA CYS 16 16.542 22.671 22.671 118 1HB CYS 16 2HB CYS 16 14.041 20.970 20.970 119 2HB CYS 16 1HB CYS 16 14.775 21.723 21.723 120 H THR 17 H THR 17 15.396 19.738 19.738 121 HA THR 17 HA THR 17 17.479 18.161 18.161 122 HB THR 17 HB THR 17 15.030 17.426 17.426 123 HG1 THR 17 HG1 THR 17 15.554 15.284 15.284 124 1HG2 THR 17 3HG2 THR 17 14.574 18.022 18.022 125 2HG2 THR 17 2HG2 THR 17 15.264 16.436 16.436 126 3HG2 THR 17 1HG2 THR 17 13.823 16.590 16.590 127 H GLY 18 H GLY 18 18.101 19.832 19.832 128 1HA GLY 18 2HA GLY 18 19.162 19.922 19.922 129 2HA GLY 18 1HA GLY 18 20.092 18.612 18.612 130 H SER 19 H SER 19 16.768 18.764 18.764 131 HA SER 19 HA SER 19 16.908 16.231 16.231 132 1HB SER 19 2HB SER 19 14.874 17.983 17.983 133 2HB SER 19 1HB SER 19 14.432 17.516 17.516 134 HG SER 19 HG SER 19 14.063 16.029 16.029 135 H CYS 20 H CYS 20 17.425 19.391 19.391 136 HA CYS 20 HA CYS 20 16.572 20.130 20.130 137 1HB CYS 20 2HB CYS 20 18.542 21.047 21.047 138 2HB CYS 20 1HB CYS 20 19.541 19.866 19.866 139 H ARG 21 H ARG 21 16.089 19.350 19.350 140 HA ARG 21 HA ARG 21 17.698 17.152 17.152 141 1HB ARG 21 2HB ARG 21 15.224 16.683 16.683 142 2HB ARG 21 1HB ARG 21 14.740 17.578 17.578 143 1HG ARG 21 2HG ARG 21 16.112 16.022 16.022 144 2HG ARG 21 1HG ARG 21 16.538 15.120 15.120 145 1HD ARG 21 2HD ARG 21 14.086 14.683 14.683 146 2HD ARG 21 1HD ARG 21 13.731 15.491 15.491 147 HE ARG 21 HE ARG 21 15.688 13.509 13.509 148 1HH1 ARG 21 2HH1 ARG 21 12.392 13.764 13.764 149 2HH1 ARG 21 1HH1 ARG 21 11.947 12.227 12.227 150 1HH2 ARG 21 1HH2 ARG 21 15.146 11.565 11.565 151 2HH2 ARG 21 2HH2 ARG 21 13.527 10.964 10.964 152 H SER 22 H SER 22 18.772 19.197 19.197 153 HA SER 22 HA SER 22 19.467 20.820 20.820 154 1HB SER 22 2HB SER 22 18.204 18.688 18.688 155 2HB SER 22 1HB SER 22 19.100 20.055 20.055 156 HG SER 22 HG SER 22 20.892 19.409 19.409 157 H GLY 23 H GLY 23 16.952 21.264 21.264 158 1HA GLY 23 2HA GLY 23 16.050 23.647 23.647 159 2HA GLY 23 1HA GLY 23 15.414 22.756 22.756 160 H LYS 24 H LYS 24 14.951 20.422 20.422 161 HA LYS 24 HA LYS 24 12.505 21.588 21.588 162 1HB LYS 24 2HB LYS 24 12.758 19.354 19.354 163 2HB LYS 24 1HB LYS 24 11.813 18.943 18.943 164 1HG LYS 24 2HG LYS 24 10.608 21.244 21.244 165 2HG LYS 24 1HG LYS 24 11.311 21.151 21.151 166 1HD LYS 24 2HD LYS 24 10.076 19.216 19.216 167 2HD LYS 24 1HD LYS 24 9.781 18.770 18.770 168 1HE LYS 24 2HE LYS 24 8.592 21.240 21.240 169 2HE LYS 24 1HE LYS 24 7.741 19.719 19.719 170 1HZ LYS 24 2HZ LYS 24 8.890 20.537 20.537 171 2HZ LYS 24 1HZ LYS 24 7.954 21.796 21.796 172 3HZ LYS 24 3HZ LYS 24 7.258 20.268 20.268 173 H CYS 25 H CYS 25 12.682 21.371 21.371 174 HA CYS 25 HA CYS 25 14.710 19.775 19.775 175 1HB CYS 25 2HB CYS 25 12.293 21.246 21.246 176 2HB CYS 25 1HB CYS 25 13.302 20.361 20.361 177 1HN NH2 26 1HT CYS 25 14.309 17.585 17.585 178 2HN NH2 26 2HT CYS 25 13.131 16.592 16.592 Start of MODEL 3 1 1H CYS 1 2H CYS 1 14.270 27.513 27.513 2 2H CYS 1 1H CYS 1 15.934 27.843 27.843 3 3H CYS 1 3H CYS 1 14.965 28.680 28.680 4 HA CYS 1 HA CYS 1 16.244 27.013 27.013 5 1HB CYS 1 2HB CYS 1 15.833 24.629 24.629 6 2HB CYS 1 1HB CYS 1 16.595 25.503 25.503 7 H LYS 2 H LYS 2 14.949 24.947 24.947 8 HA LYS 2 HA LYS 2 12.310 26.088 26.088 9 1HB LYS 2 2HB LYS 2 14.657 25.102 25.102 10 2HB LYS 2 1HB LYS 2 13.066 24.805 24.805 11 1HG LYS 2 2HG LYS 2 13.984 27.553 27.553 12 2HG LYS 2 1HG LYS 2 14.162 27.003 27.003 13 1HD LYS 2 2HD LYS 2 12.009 27.539 27.539 14 2HD LYS 2 1HD LYS 2 11.415 26.518 26.518 15 1HE LYS 2 2HE LYS 2 11.880 28.391 28.391 16 2HE LYS 2 1HE LYS 2 12.324 29.409 29.409 17 1HZ LYS 2 2HZ LYS 2 10.125 29.071 29.071 18 2HZ LYS 2 1HZ LYS 2 9.701 28.098 28.098 19 3HZ LYS 2 3HZ LYS 2 10.043 29.745 29.745 20 H GLY 3 H GLY 3 10.717 24.734 24.734 21 1HA GLY 3 2HA GLY 3 10.689 22.101 22.101 22 2HA GLY 3 1HA GLY 3 9.300 22.952 22.952 23 H LYS 4 H LYS 4 9.224 20.472 20.472 24 HA LYS 4 HA LYS 4 10.661 19.366 19.366 25 1HB LYS 4 2HB LYS 4 8.669 17.824 17.824 26 2HB LYS 4 1HB LYS 4 9.297 17.947 17.947 27 1HG LYS 4 2HG LYS 4 7.501 19.552 19.552 28 2HG LYS 4 1HG LYS 4 6.880 19.500 19.500 29 1HD LYS 4 2HD LYS 4 6.311 17.148 17.148 30 2HD LYS 4 1HD LYS 4 7.129 17.024 17.024 31 1HE LYS 4 2HE LYS 4 5.501 18.583 18.583 32 2HE LYS 4 1HE LYS 4 4.703 18.793 18.793 33 1HZ LYS 4 3HZ LYS 4 5.036 16.109 16.109 34 2HZ LYS 4 2HZ LYS 4 3.768 17.116 17.116 35 3HZ LYS 4 1HZ LYS 4 3.885 16.665 16.665 36 H GLY 5 H GLY 5 10.404 19.288 19.288 37 1HA GLY 5 2HA GLY 5 9.796 19.896 19.896 38 2HA GLY 5 1HA GLY 5 8.195 20.252 20.252 39 H ALA 6 H ALA 6 10.645 21.983 21.983 40 HA ALA 6 HA ALA 6 9.693 24.505 24.505 41 1HB ALA 6 1HB ALA 6 11.956 23.908 23.908 42 2HB ALA 6 3HB ALA 6 11.340 25.511 25.511 43 3HB ALA 6 2HB ALA 6 10.309 24.345 24.345 44 H LYS 7 H LYS 7 11.070 26.108 26.108 45 HA LYS 7 HA LYS 7 12.687 25.085 25.085 46 1HB LYS 7 2HB LYS 7 12.010 27.859 27.859 47 2HB LYS 7 1HB LYS 7 13.182 27.670 27.670 48 1HG LYS 7 2HG LYS 7 10.361 26.515 26.515 49 2HG LYS 7 1HG LYS 7 10.807 28.064 28.064 50 1HD LYS 7 2HD LYS 7 12.722 26.558 26.558 51 2HD LYS 7 1HD LYS 7 11.543 25.291 25.291 52 1HE LYS 7 2HE LYS 7 10.984 26.141 26.141 53 2HE LYS 7 1HE LYS 7 9.814 26.916 26.916 54 1HZ LYS 7 2HZ LYS 7 11.314 28.840 28.840 55 2HZ LYS 7 1HZ LYS 7 12.340 28.087 28.087 56 3HZ LYS 7 3HZ LYS 7 10.761 28.521 28.521 57 H CYS 8 H CYS 8 14.311 23.917 23.917 58 HA CYS 8 HA CYS 8 16.212 25.215 25.215 59 1HB CYS 8 2HB CYS 8 16.994 23.156 23.156 60 2HB CYS 8 1HB CYS 8 15.393 22.752 22.752 61 H SER 9 H SER 9 18.593 24.132 24.132 62 HA SER 9 HA SER 9 19.179 24.726 24.726 63 1HB SER 9 2HB SER 9 21.034 26.490 26.490 64 2HB SER 9 1HB SER 9 19.713 26.966 26.966 65 HG SER 9 HG SER 9 19.677 27.809 27.809 66 H ARG 10 H ARG 10 21.089 23.890 23.890 67 HA ARG 10 HA ARG 10 22.283 21.816 21.816 68 1HB ARG 10 2HB ARG 10 23.370 23.246 23.246 69 2HB ARG 10 1HB ARG 10 23.979 21.723 21.723 70 1HG ARG 10 2HG ARG 10 21.734 20.692 20.692 71 2HG ARG 10 1HG ARG 10 21.141 22.211 22.211 72 1HD ARG 10 2HD ARG 10 23.261 21.923 21.923 73 2HD ARG 10 1HD ARG 10 23.024 20.224 20.224 74 HE ARG 10 HE ARG 10 20.516 21.457 21.457 75 1HH1 ARG 10 2HH1 ARG 10 23.473 20.257 20.257 76 2HH1 ARG 10 1HH1 ARG 10 22.755 19.876 19.876 77 1HH2 ARG 10 1HH2 ARG 10 19.584 20.986 20.986 78 2HH2 ARG 10 2HH2 ARG 10 20.518 20.299 20.299 79 H LEU 11 H LEU 11 22.973 25.153 25.153 80 HA LEU 11 HA LEU 11 25.534 24.992 24.992 81 1HB LEU 11 2HB LEU 11 25.781 27.386 27.386 82 2HB LEU 11 1HB LEU 11 25.541 26.361 26.361 83 HG LEU 11 HG LEU 11 22.982 27.406 27.406 84 1HD1 LEU 11 2HD1 LEU 11 24.974 29.336 29.336 85 2HD1 LEU 11 1HD1 LEU 11 23.286 29.691 29.691 86 3HD1 LEU 11 3HD1 LEU 11 24.393 29.379 29.379 87 1HD2 LEU 11 1HD2 LEU 11 23.175 26.184 26.184 88 2HD2 LEU 11 3HD2 LEU 11 22.458 27.775 27.775 89 3HD2 LEU 11 2HD2 LEU 11 24.134 27.516 27.516 90 H MET 12 H MET 12 22.312 25.441 25.441 91 HA MET 12 HA MET 12 22.873 26.430 26.430 92 1HB MET 12 2HB MET 12 21.595 28.016 28.016 93 2HB MET 12 1HB MET 12 20.498 27.817 27.817 94 1HG MET 12 2HG MET 12 23.312 28.899 28.899 95 2HG MET 12 1HG MET 12 21.844 29.815 29.815 96 1HE MET 12 3HE MET 12 20.013 28.798 28.798 97 2HE MET 12 2HE MET 12 20.591 29.126 29.126 98 3HE MET 12 1HE MET 12 20.746 30.372 30.372 99 H TYR 13 H TYR 13 22.441 24.464 24.464 100 HA TYR 13 HA TYR 13 19.909 23.060 23.060 101 1HB TYR 13 2HB TYR 13 21.787 22.284 22.284 102 2HB TYR 13 1HB TYR 13 20.814 21.245 21.245 103 HD1 TYR 13 HD1 TYR 13 21.640 20.571 20.571 104 HD2 TYR 13 HD2 TYR 13 23.959 23.106 23.106 105 HE1 TYR 13 HE1 TYR 13 23.613 20.147 20.147 106 HE2 TYR 13 HE2 TYR 13 25.929 22.679 22.679 107 HH TYR 13 HH TYR 13 25.735 20.662 20.662 108 H ASP 14 H ASP 14 19.011 25.240 25.240 109 HA ASP 14 HA ASP 14 18.820 26.218 26.218 110 1HB ASP 14 2HB ASP 14 17.797 27.004 27.004 111 2HB ASP 14 1HB ASP 14 16.415 26.200 26.200 112 H CYS 15 H CYS 15 17.328 23.455 23.455 113 HA CYS 15 HA CYS 15 15.117 22.973 22.973 114 1HB CYS 15 2HB CYS 15 17.009 20.740 20.740 115 2HB CYS 15 1HB CYS 15 15.267 20.744 20.744 116 H CYS 16 H CYS 16 14.721 22.318 22.318 117 HA CYS 16 HA CYS 16 16.542 22.671 22.671 118 1HB CYS 16 2HB CYS 16 14.041 20.970 20.970 119 2HB CYS 16 1HB CYS 16 14.775 21.723 21.723 120 H THR 17 H THR 17 15.396 19.738 19.738 121 HA THR 17 HA THR 17 17.479 18.161 18.161 122 HB THR 17 HB THR 17 15.030 17.426 17.426 123 HG1 THR 17 HG1 THR 17 15.554 15.284 15.284 124 1HG2 THR 17 3HG2 THR 17 14.574 18.022 18.022 125 2HG2 THR 17 2HG2 THR 17 15.264 16.436 16.436 126 3HG2 THR 17 1HG2 THR 17 13.823 16.590 16.590 127 H GLY 18 H GLY 18 18.101 19.832 19.832 128 1HA GLY 18 2HA GLY 18 19.162 19.922 19.922 129 2HA GLY 18 1HA GLY 18 20.092 18.612 18.612 130 H SER 19 H SER 19 16.768 18.764 18.764 131 HA SER 19 HA SER 19 16.908 16.231 16.231 132 1HB SER 19 2HB SER 19 14.874 17.983 17.983 133 2HB SER 19 1HB SER 19 14.432 17.516 17.516 134 HG SER 19 HG SER 19 14.063 16.029 16.029 135 H CYS 20 H CYS 20 17.425 19.391 19.391 136 HA CYS 20 HA CYS 20 16.572 20.130 20.130 137 1HB CYS 20 2HB CYS 20 18.542 21.047 21.047 138 2HB CYS 20 1HB CYS 20 19.541 19.866 19.866 139 H ARG 21 H ARG 21 16.089 19.350 19.350 140 HA ARG 21 HA ARG 21 17.698 17.152 17.152 141 1HB ARG 21 2HB ARG 21 15.224 16.683 16.683 142 2HB ARG 21 1HB ARG 21 14.740 17.578 17.578 143 1HG ARG 21 2HG ARG 21 16.112 16.022 16.022 144 2HG ARG 21 1HG ARG 21 16.538 15.120 15.120 145 1HD ARG 21 2HD ARG 21 14.086 14.683 14.683 146 2HD ARG 21 1HD ARG 21 13.731 15.491 15.491 147 HE ARG 21 HE ARG 21 15.688 13.509 13.509 148 1HH1 ARG 21 2HH1 ARG 21 12.392 13.764 13.764 149 2HH1 ARG 21 1HH1 ARG 21 11.947 12.227 12.227 150 1HH2 ARG 21 1HH2 ARG 21 15.146 11.565 11.565 151 2HH2 ARG 21 2HH2 ARG 21 13.527 10.964 10.964 152 H SER 22 H SER 22 18.772 19.197 19.197 153 HA SER 22 HA SER 22 19.467 20.820 20.820 154 1HB SER 22 2HB SER 22 18.204 18.688 18.688 155 2HB SER 22 1HB SER 22 19.100 20.055 20.055 156 HG SER 22 HG SER 22 20.892 19.409 19.409 157 H GLY 23 H GLY 23 16.952 21.264 21.264 158 1HA GLY 23 2HA GLY 23 16.050 23.647 23.647 159 2HA GLY 23 1HA GLY 23 15.414 22.756 22.756 160 H LYS 24 H LYS 24 14.951 20.422 20.422 161 HA LYS 24 HA LYS 24 12.505 21.588 21.588 162 1HB LYS 24 2HB LYS 24 12.758 19.354 19.354 163 2HB LYS 24 1HB LYS 24 11.813 18.943 18.943 164 1HG LYS 24 2HG LYS 24 10.608 21.244 21.244 165 2HG LYS 24 1HG LYS 24 11.311 21.151 21.151 166 1HD LYS 24 2HD LYS 24 10.076 19.216 19.216 167 2HD LYS 24 1HD LYS 24 9.781 18.770 18.770 168 1HE LYS 24 2HE LYS 24 8.592 21.240 21.240 169 2HE LYS 24 1HE LYS 24 7.741 19.719 19.719 170 1HZ LYS 24 2HZ LYS 24 8.890 20.537 20.537 171 2HZ LYS 24 1HZ LYS 24 7.954 21.796 21.796 172 3HZ LYS 24 3HZ LYS 24 7.258 20.268 20.268 173 H CYS 25 H CYS 25 12.682 21.371 21.371 174 HA CYS 25 HA CYS 25 14.710 19.775 19.775 175 1HB CYS 25 2HB CYS 25 12.293 21.246 21.246 176 2HB CYS 25 1HB CYS 25 13.302 20.361 20.361 177 1HN NH2 26 1HT CYS 25 14.309 17.585 17.585 178 2HN NH2 26 2HT CYS 25 13.131 16.592 16.592 Start of MODEL 4 1 1H CYS 1 2H CYS 1 13.916 27.505 27.505 2 2H CYS 1 1H CYS 1 15.558 27.888 27.888 3 3H CYS 1 3H CYS 1 14.646 28.677 28.677 4 HA CYS 1 HA CYS 1 16.018 27.057 27.057 5 1HB CYS 1 2HB CYS 1 15.714 24.656 24.656 6 2HB CYS 1 1HB CYS 1 16.431 25.612 25.612 7 H LYS 2 H LYS 2 15.007 24.999 24.999 8 HA LYS 2 HA LYS 2 12.341 25.923 25.923 9 1HB LYS 2 2HB LYS 2 14.783 24.838 24.838 10 2HB LYS 2 1HB LYS 2 13.246 24.379 24.379 11 1HG LYS 2 2HG LYS 2 12.614 26.743 26.743 12 2HG LYS 2 1HG LYS 2 14.071 27.252 27.252 13 1HD LYS 2 2HD LYS 2 15.203 25.733 25.733 14 2HD LYS 2 1HD LYS 2 13.705 26.139 26.139 15 1HE LYS 2 2HE LYS 2 15.370 28.319 28.319 16 2HE LYS 2 1HE LYS 2 15.737 27.749 27.749 17 1HZ LYS 2 2HZ LYS 2 13.415 28.211 28.211 18 2HZ LYS 2 1HZ LYS 2 13.173 28.889 28.889 19 3HZ LYS 2 3HZ LYS 2 14.280 29.598 29.598 20 H GLY 3 H GLY 3 10.728 24.579 24.579 21 1HA GLY 3 2HA GLY 3 10.720 21.993 21.993 22 2HA GLY 3 1HA GLY 3 9.311 22.855 22.855 23 H LYS 4 H LYS 4 9.222 20.316 20.316 24 HA LYS 4 HA LYS 4 10.555 19.282 19.282 25 1HB LYS 4 2HB LYS 4 7.888 18.624 18.624 26 2HB LYS 4 1HB LYS 4 8.459 17.727 17.727 27 1HG LYS 4 2HG LYS 4 10.139 18.071 18.071 28 2HG LYS 4 1HG LYS 4 9.030 16.735 16.735 29 1HD LYS 4 2HD LYS 4 10.313 16.339 16.339 30 2HD LYS 4 1HD LYS 4 11.551 17.367 17.367 31 1HE LYS 4 2HE LYS 4 11.880 15.856 15.856 32 2HE LYS 4 1HE LYS 4 10.467 14.904 14.904 33 1HZ LYS 4 1HZ LYS 4 12.618 15.252 15.252 34 2HZ LYS 4 3HZ LYS 4 12.827 14.148 14.148 35 3HZ LYS 4 2HZ LYS 4 11.527 13.965 13.965 36 H GLY 5 H GLY 5 10.296 19.497 19.497 37 1HA GLY 5 2HA GLY 5 9.362 20.024 20.024 38 2HA GLY 5 1HA GLY 5 7.839 20.386 20.386 39 H ALA 6 H ALA 6 10.601 21.954 21.954 40 HA ALA 6 HA ALA 6 9.595 24.566 24.566 41 1HB ALA 6 2HB ALA 6 11.887 23.799 23.799 42 2HB ALA 6 1HB ALA 6 11.369 25.453 25.453 43 3HB ALA 6 3HB ALA 6 10.290 24.328 24.328 44 H LYS 7 H LYS 7 11.043 26.158 26.158 45 HA LYS 7 HA LYS 7 12.563 25.135 25.135 46 1HB LYS 7 2HB LYS 7 11.123 27.172 27.172 47 2HB LYS 7 1HB LYS 7 12.204 27.996 27.996 48 1HG LYS 7 2HG LYS 7 13.796 28.372 28.372 49 2HG LYS 7 1HG LYS 7 13.608 26.784 26.784 50 1HD LYS 7 2HD LYS 7 11.564 27.500 27.500 51 2HD LYS 7 1HD LYS 7 11.639 29.073 29.073 52 1HE LYS 7 2HE LYS 7 13.849 29.495 29.495 53 2HE LYS 7 1HE LYS 7 13.725 27.936 27.936 54 1HZ LYS 7 2HZ LYS 7 11.681 28.689 28.689 55 2HZ LYS 7 1HZ LYS 7 11.839 30.201 30.201 56 3HZ LYS 7 3HZ LYS 7 12.990 29.699 29.699 57 H CYS 8 H CYS 8 14.152 23.972 23.972 58 HA CYS 8 HA CYS 8 16.093 25.374 25.374 59 1HB CYS 8 2HB CYS 8 16.887 23.310 23.310 60 2HB CYS 8 1HB CYS 8 15.290 22.877 22.877 61 H SER 9 H SER 9 18.460 24.144 24.144 62 HA SER 9 HA SER 9 18.910 24.813 24.813 63 1HB SER 9 2HB SER 9 20.912 26.450 26.450 64 2HB SER 9 1HB SER 9 19.589 26.997 26.997 65 HG SER 9 HG SER 9 19.513 27.881 27.881 66 H ARG 10 H ARG 10 20.664 23.826 23.826 67 HA ARG 10 HA ARG 10 21.879 21.703 21.703 68 1HB ARG 10 2HB ARG 10 23.475 21.588 21.588 69 2HB ARG 10 1HB ARG 10 21.794 21.568 21.568 70 1HG ARG 10 2HG ARG 10 22.022 23.430 23.430 71 2HG ARG 10 1HG ARG 10 22.668 24.348 24.348 72 1HD ARG 10 2HD ARG 10 24.932 23.306 23.306 73 2HD ARG 10 1HD ARG 10 24.241 22.552 22.552 74 HE ARG 10 HE ARG 10 23.671 25.346 25.346 75 1HH1 ARG 10 1HH1 ARG 10 27.234 24.146 24.146 76 2HH1 ARG 10 2HH1 ARG 10 26.304 23.112 23.112 77 1HH2 ARG 10 1HH2 ARG 10 24.828 26.675 26.675 78 2HH2 ARG 10 2HH2 ARG 10 26.386 26.196 26.196 79 H LEU 11 H LEU 11 22.717 25.012 25.012 80 HA LEU 11 HA LEU 11 25.367 24.666 24.666 81 1HB LEU 11 2HB LEU 11 24.315 26.448 26.448 82 2HB LEU 11 1HB LEU 11 24.642 27.451 27.451 83 HG LEU 11 HG LEU 11 26.594 27.409 27.409 84 1HD1 LEU 11 2HD1 LEU 11 26.925 27.386 27.386 85 2HD1 LEU 11 1HD1 LEU 11 27.301 25.674 25.674 86 3HD1 LEU 11 3HD1 LEU 11 28.307 26.861 26.861 87 1HD2 LEU 11 1HD2 LEU 11 26.137 25.216 25.216 88 2HD2 LEU 11 3HD2 LEU 11 27.802 25.362 25.362 89 3HD2 LEU 11 2HD2 LEU 11 26.676 24.381 24.381 90 H MET 12 H MET 12 22.212 25.383 25.383 91 HA MET 12 HA MET 12 23.043 26.210 26.210 92 1HB MET 12 2HB MET 12 21.413 27.820 27.820 93 2HB MET 12 1HB MET 12 20.850 27.822 27.822 94 1HG MET 12 2HG MET 12 23.633 28.556 28.556 95 2HG MET 12 1HG MET 12 22.395 29.680 29.680 96 1HE MET 12 3HE MET 12 21.201 29.297 29.297 97 2HE MET 12 2HE MET 12 22.390 29.801 29.801 98 3HE MET 12 1HE MET 12 22.226 30.723 30.723 99 H TYR 13 H TYR 13 22.548 24.279 24.279 100 HA TYR 13 HA TYR 13 19.934 22.985 22.985 101 1HB TYR 13 2HB TYR 13 21.884 22.051 22.051 102 2HB TYR 13 1HB TYR 13 20.888 21.095 21.095 103 HD1 TYR 13 HD2 TYR 13 24.011 23.047 23.047 104 HD2 TYR 13 HD1 TYR 13 21.728 20.439 20.439 105 HE1 TYR 13 HE2 TYR 13 25.956 22.719 22.719 106 HE2 TYR 13 HE1 TYR 13 23.675 20.113 20.113 107 HH TYR 13 HH TYR 13 25.772 20.689 20.689 108 H ASP 14 H ASP 14 19.170 25.176 25.176 109 HA ASP 14 HA ASP 14 19.181 26.032 26.032 110 1HB ASP 14 2HB ASP 14 18.359 27.227 27.227 111 2HB ASP 14 1HB ASP 14 16.908 26.292 26.292 112 H CYS 15 H CYS 15 17.563 23.368 23.368 113 HA CYS 15 HA CYS 15 15.258 23.064 23.064 114 1HB CYS 15 2HB CYS 15 17.064 20.756 20.756 115 2HB CYS 15 1HB CYS 15 15.322 20.788 20.788 116 H CYS 16 H CYS 16 14.765 22.386 22.386 117 HA CYS 16 HA CYS 16 16.464 22.719 22.719 118 1HB CYS 16 2HB CYS 16 14.000 20.979 20.979 119 2HB CYS 16 1HB CYS 16 14.648 21.753 21.753 120 H THR 17 H THR 17 15.449 19.794 19.794 121 HA THR 17 HA THR 17 17.522 18.243 18.243 122 HB THR 17 HB THR 17 15.121 17.024 17.024 123 HG1 THR 17 HG1 THR 17 15.404 18.233 18.233 124 1HG2 THR 17 3HG2 THR 17 16.771 16.161 16.161 125 2HG2 THR 17 2HG2 THR 17 15.395 15.281 15.281 126 3HG2 THR 17 1HG2 THR 17 16.875 15.399 15.399 127 H GLY 18 H GLY 18 18.207 19.826 19.826 128 1HA GLY 18 2HA GLY 18 19.233 19.844 19.844 129 2HA GLY 18 1HA GLY 18 20.098 18.486 18.486 130 H SER 19 H SER 19 16.768 18.821 18.821 131 HA SER 19 HA SER 19 16.749 16.282 16.282 132 1HB SER 19 2HB SER 19 14.831 18.127 18.127 133 2HB SER 19 1HB SER 19 14.340 17.742 17.742 134 HG SER 19 HG SER 19 13.694 16.190 16.190 135 H CYS 20 H CYS 20 17.433 19.426 19.426 136 HA CYS 20 HA CYS 20 16.573 20.140 20.140 137 1HB CYS 20 2HB CYS 20 18.507 21.094 21.094 138 2HB CYS 20 1HB CYS 20 19.535 19.974 19.974 139 H ARG 21 H ARG 21 16.391 19.550 19.550 140 HA ARG 21 HA ARG 21 17.997 17.308 17.308 141 1HB ARG 21 2HB ARG 21 15.493 16.835 16.835 142 2HB ARG 21 1HB ARG 21 15.070 17.822 17.822 143 1HG ARG 21 2HG ARG 21 16.370 16.312 16.312 144 2HG ARG 21 1HG ARG 21 16.850 15.350 15.350 145 1HD ARG 21 2HD ARG 21 14.380 14.937 14.937 146 2HD ARG 21 1HD ARG 21 14.019 15.723 15.723 147 HE ARG 21 HE ARG 21 15.950 13.751 13.751 148 1HH1 ARG 21 2HH1 ARG 21 12.717 13.958 13.958 149 2HH1 ARG 21 1HH1 ARG 21 12.266 12.399 12.399 150 1HH2 ARG 21 1HH2 ARG 21 15.401 11.772 11.772 151 2HH2 ARG 21 2HH2 ARG 21 13.807 11.141 11.141 152 H SER 22 H SER 22 19.099 19.401 19.401 153 HA SER 22 HA SER 22 19.864 21.118 21.118 154 1HB SER 22 2HB SER 22 18.749 19.226 19.226 155 2HB SER 22 1HB SER 22 19.995 20.459 20.459 156 HG SER 22 HG SER 22 20.080 18.244 18.244 157 H GLY 23 H GLY 23 17.310 21.487 21.487 158 1HA GLY 23 2HA GLY 23 16.371 23.848 23.848 159 2HA GLY 23 1HA GLY 23 15.817 22.942 22.942 160 H LYS 24 H LYS 24 15.289 20.567 20.567 161 HA LYS 24 HA LYS 24 12.746 21.647 21.647 162 1HB LYS 24 2HB LYS 24 12.498 20.237 20.237 163 2HB LYS 24 1HB LYS 24 13.083 18.869 18.869 164 1HG LYS 24 2HG LYS 24 11.234 19.142 19.142 165 2HG LYS 24 1HG LYS 24 10.663 20.566 20.566 166 1HD LYS 24 2HD LYS 24 10.929 17.892 17.892 167 2HD LYS 24 1HD LYS 24 9.501 18.277 18.277 168 1HE LYS 24 2HE LYS 24 9.228 20.389 20.389 169 2HE LYS 24 1HE LYS 24 10.558 19.841 19.841 170 1HZ LYS 24 2HZ LYS 24 9.129 17.693 17.693 171 2HZ LYS 24 1HZ LYS 24 7.862 18.749 18.749 172 3HZ LYS 24 3HZ LYS 24 8.785 19.026 19.026 173 H CYS 25 H CYS 25 12.719 21.419 21.419 174 HA CYS 25 HA CYS 25 14.714 19.830 19.830 175 1HB CYS 25 2HB CYS 25 12.271 21.342 21.342 176 2HB CYS 25 1HB CYS 25 13.170 20.419 20.419 177 1HN NH2 26 1HT CYS 25 14.377 17.650 17.650 178 2HN NH2 26 2HT CYS 25 13.110 16.681 16.681 Start of MODEL 5 1 1H CYS 1 1H CYS 1 13.811 27.455 27.455 2 2H CYS 1 3H CYS 1 15.445 27.876 27.876 3 3H CYS 1 2H CYS 1 14.504 28.657 28.657 4 HA CYS 1 HA CYS 1 15.929 27.076 27.076 5 1HB CYS 1 2HB CYS 1 15.662 24.668 24.668 6 2HB CYS 1 1HB CYS 1 16.307 25.599 25.599 7 H LYS 2 H LYS 2 14.910 24.985 24.985 8 HA LYS 2 HA LYS 2 12.260 25.930 25.930 9 1HB LYS 2 2HB LYS 2 14.753 24.970 24.970 10 2HB LYS 2 1HB LYS 2 13.249 24.497 24.497 11 1HG LYS 2 2HG LYS 2 12.533 26.911 26.911 12 2HG LYS 2 1HG LYS 2 14.078 27.344 27.344 13 1HD LYS 2 2HD LYS 2 14.936 25.919 25.919 14 2HD LYS 2 1HD LYS 2 13.381 26.446 26.446 15 1HE LYS 2 2HE LYS 2 14.086 28.591 28.591 16 2HE LYS 2 1HE LYS 2 14.842 28.673 28.673 17 1HZ LYS 2 2HZ LYS 2 16.357 26.951 26.951 18 2HZ LYS 2 1HZ LYS 2 16.053 28.355 28.355 19 3HZ LYS 2 3HZ LYS 2 16.784 28.469 28.469 20 H GLY 3 H GLY 3 10.640 24.635 24.635 21 1HA GLY 3 2HA GLY 3 10.644 22.015 22.015 22 2HA GLY 3 1HA GLY 3 9.242 22.864 22.864 23 H LYS 4 H LYS 4 8.840 20.557 20.557 24 HA LYS 4 HA LYS 4 10.237 19.183 19.183 25 1HB LYS 4 2HB LYS 4 8.174 17.856 17.856 26 2HB LYS 4 1HB LYS 4 8.547 18.136 18.136 27 1HG LYS 4 2HG LYS 4 6.911 20.164 20.164 28 2HG LYS 4 1HG LYS 4 6.395 19.472 19.472 29 1HD LYS 4 2HD LYS 4 5.933 17.293 17.293 30 2HD LYS 4 1HD LYS 4 6.271 18.131 18.131 31 1HE LYS 4 2HE LYS 4 4.129 18.994 18.994 32 2HE LYS 4 1HE LYS 4 3.817 18.066 18.066 33 1HZ LYS 4 3HZ LYS 4 4.823 19.893 19.893 34 2HZ LYS 4 2HZ LYS 4 4.940 20.798 20.798 35 3HZ LYS 4 1HZ LYS 4 3.415 20.346 20.346 36 H GLY 5 H GLY 5 10.295 19.218 19.218 37 1HA GLY 5 2HA GLY 5 10.009 19.850 19.850 38 2HA GLY 5 1HA GLY 5 8.337 20.202 20.202 39 H ALA 6 H ALA 6 10.547 21.931 21.931 40 HA ALA 6 HA ALA 6 9.715 24.472 24.472 41 1HB ALA 6 3HB ALA 6 11.924 23.771 23.771 42 2HB ALA 6 2HB ALA 6 11.357 25.410 25.410 43 3HB ALA 6 1HB ALA 6 10.287 24.228 24.228 44 H LYS 7 H LYS 7 11.016 26.050 26.050 45 HA LYS 7 HA LYS 7 12.677 25.067 25.067 46 1HB LYS 7 2HB LYS 7 11.561 27.659 27.659 47 2HB LYS 7 1HB LYS 7 13.160 27.860 27.860 48 1HG LYS 7 2HG LYS 7 11.670 28.045 28.045 49 2HG LYS 7 1HG LYS 7 12.406 26.462 26.462 50 1HD LYS 7 2HD LYS 7 10.365 25.485 25.485 51 2HD LYS 7 1HD LYS 7 9.640 27.083 27.083 52 1HE LYS 7 2HE LYS 7 9.893 27.057 27.057 53 2HE LYS 7 1HE LYS 7 10.478 25.403 25.403 54 1HZ LYS 7 1HZ LYS 7 8.384 24.826 24.826 55 2HZ LYS 7 3HZ LYS 7 7.823 26.406 26.406 56 3HZ LYS 7 2HZ LYS 7 8.167 25.388 25.388 57 H CYS 8 H CYS 8 14.359 23.932 23.932 58 HA CYS 8 HA CYS 8 16.306 25.239 25.239 59 1HB CYS 8 2HB CYS 8 17.051 23.172 23.172 60 2HB CYS 8 1HB CYS 8 15.421 22.794 22.794 61 H SER 9 H SER 9 18.628 24.111 24.111 62 HA SER 9 HA SER 9 19.249 24.507 24.507 63 1HB SER 9 2HB SER 9 21.014 26.348 26.348 64 2HB SER 9 1HB SER 9 20.155 26.645 26.645 65 HG SER 9 HG SER 9 19.433 27.873 27.873 66 H ARG 10 H ARG 10 21.172 23.584 23.584 67 HA ARG 10 HA ARG 10 22.309 21.637 21.637 68 1HB ARG 10 2HB ARG 10 23.419 22.794 22.794 69 2HB ARG 10 1HB ARG 10 24.037 21.359 21.359 70 1HG ARG 10 2HG ARG 10 21.701 20.346 20.346 71 2HG ARG 10 1HG ARG 10 21.261 21.741 21.741 72 1HD ARG 10 2HD ARG 10 23.700 20.108 20.108 73 2HD ARG 10 1HD ARG 10 22.089 19.585 19.585 74 HE ARG 10 HE ARG 10 22.435 22.364 22.364 75 1HH1 ARG 10 2HH1 ARG 10 23.377 19.175 19.175 76 2HH1 ARG 10 1HH1 ARG 10 23.621 19.628 19.628 77 1HH2 ARG 10 1HH2 ARG 10 22.737 22.961 22.961 78 2HH2 ARG 10 2HH2 ARG 10 23.253 21.801 21.801 79 H LEU 11 H LEU 11 23.036 24.925 24.925 80 HA LEU 11 HA LEU 11 25.612 24.838 24.838 81 1HB LEU 11 2HB LEU 11 25.000 26.164 26.164 82 2HB LEU 11 1HB LEU 11 24.458 27.380 27.380 83 HG LEU 11 HG LEU 11 26.839 26.984 26.984 84 1HD1 LEU 11 2HD1 LEU 11 27.421 25.011 25.011 85 2HD1 LEU 11 1HD1 LEU 11 27.344 26.031 26.031 86 3HD1 LEU 11 3HD1 LEU 11 28.575 26.315 26.315 87 1HD2 LEU 11 1HD2 LEU 11 26.515 28.443 28.443 88 2HD2 LEU 11 3HD2 LEU 11 26.165 29.105 29.105 89 3HD2 LEU 11 2HD2 LEU 11 27.817 28.714 28.714 90 H MET 12 H MET 12 22.397 25.343 25.343 91 HA MET 12 HA MET 12 23.017 26.569 26.569 92 1HB MET 12 2HB MET 12 20.828 27.576 27.576 93 2HB MET 12 1HB MET 12 21.054 28.112 28.112 94 1HG MET 12 2HG MET 12 23.351 28.886 28.886 95 2HG MET 12 1HG MET 12 23.042 28.439 28.439 96 1HE MET 12 2HE MET 12 20.696 29.391 29.391 97 2HE MET 12 1HE MET 12 20.939 31.097 31.097 98 3HE MET 12 3HE MET 12 22.271 29.986 29.986 99 H TYR 13 H TYR 13 22.700 24.664 24.664 100 HA TYR 13 HA TYR 13 20.298 23.020 23.020 101 1HB TYR 13 2HB TYR 13 22.629 22.857 22.857 102 2HB TYR 13 1HB TYR 13 21.357 21.649 21.649 103 HD1 TYR 13 HD2 TYR 13 21.036 20.398 20.398 104 HD2 TYR 13 HD1 TYR 13 24.443 22.847 22.847 105 HE1 TYR 13 HE2 TYR 13 22.216 19.275 19.275 106 HE2 TYR 13 HE1 TYR 13 25.624 21.725 21.725 107 HH TYR 13 HH TYR 13 24.062 19.177 19.177 108 H ASP 14 H ASP 14 19.229 25.202 25.202 109 HA ASP 14 HA ASP 14 18.877 26.291 26.291 110 1HB ASP 14 2HB ASP 14 18.030 26.971 26.971 111 2HB ASP 14 1HB ASP 14 16.633 26.097 26.097 112 H CYS 15 H CYS 15 17.521 23.436 23.436 113 HA CYS 15 HA CYS 15 15.248 22.967 22.967 114 1HB CYS 15 2HB CYS 15 17.226 20.788 20.788 115 2HB CYS 15 1HB CYS 15 15.486 20.699 20.699 116 H CYS 16 H CYS 16 14.763 22.331 22.331 117 HA CYS 16 HA CYS 16 16.406 22.759 22.759 118 1HB CYS 16 2HB CYS 16 14.020 20.916 20.916 119 2HB CYS 16 1HB CYS 16 14.616 21.665 21.665 120 H THR 17 H THR 17 15.626 19.792 19.792 121 HA THR 17 HA THR 17 17.793 18.381 18.381 122 HB THR 17 HB THR 17 15.368 17.013 17.013 123 HG1 THR 17 HG1 THR 17 14.729 18.548 18.548 124 1HG2 THR 17 2HG2 THR 17 17.269 16.266 16.266 125 2HG2 THR 17 1HG2 THR 17 15.849 15.337 15.337 126 3HG2 THR 17 3HG2 THR 17 17.207 15.448 15.448 127 H GLY 18 H GLY 18 18.363 19.903 19.903 128 1HA GLY 18 2HA GLY 18 19.311 19.885 19.885 129 2HA GLY 18 1HA GLY 18 20.222 18.561 18.561 130 H SER 19 H SER 19 16.859 18.801 18.801 131 HA SER 19 HA SER 19 16.845 16.236 16.236 132 1HB SER 19 2HB SER 19 14.941 18.070 18.070 133 2HB SER 19 1HB SER 19 14.401 17.621 17.621 134 HG SER 19 HG SER 19 13.943 16.135 16.135 135 H CYS 20 H CYS 20 17.483 19.323 19.323 136 HA CYS 20 HA CYS 20 16.545 20.087 20.087 137 1HB CYS 20 2HB CYS 20 18.622 20.923 20.923 138 2HB CYS 20 1HB CYS 20 19.515 19.715 19.715 139 H ARG 21 H ARG 21 16.269 19.607 19.607 140 HA ARG 21 HA ARG 21 17.648 17.311 17.311 141 1HB ARG 21 2HB ARG 21 15.227 16.917 16.917 142 2HB ARG 21 1HB ARG 21 14.687 17.894 17.894 143 1HG ARG 21 2HG ARG 21 15.850 16.302 16.302 144 2HG ARG 21 1HG ARG 21 16.291 15.312 15.312 145 1HD ARG 21 2HD ARG 21 13.403 16.010 16.010 146 2HD ARG 21 1HD ARG 21 14.201 14.495 14.495 147 HE ARG 21 HE ARG 21 14.155 13.883 13.883 148 1HH1 ARG 21 2HH1 ARG 21 12.859 17.071 17.071 149 2HH1 ARG 21 1HH1 ARG 21 12.143 17.139 17.139 150 1HH2 ARG 21 1HH2 ARG 21 13.251 13.972 13.972 151 2HH2 ARG 21 2HH2 ARG 21 12.367 15.375 15.375 152 H SER 22 H SER 22 18.684 19.497 19.497 153 HA SER 22 HA SER 22 19.277 21.300 21.300 154 1HB SER 22 2HB SER 22 19.509 20.614 20.614 155 2HB SER 22 1HB SER 22 19.889 19.242 19.242 156 HG SER 22 HG SER 22 17.296 19.767 19.767 157 H GLY 23 H GLY 23 16.823 21.566 21.566 158 1HA GLY 23 2HA GLY 23 15.682 23.820 23.820 159 2HA GLY 23 1HA GLY 23 15.115 22.798 22.798 160 H LYS 24 H LYS 24 14.932 20.549 20.549 161 HA LYS 24 HA LYS 24 12.422 21.559 21.559 162 1HB LYS 24 2HB LYS 24 12.820 19.166 19.166 163 2HB LYS 24 1HB LYS 24 11.759 18.956 18.956 164 1HG LYS 24 2HG LYS 24 10.603 21.157 21.157 165 2HG LYS 24 1HG LYS 24 11.454 20.923 20.923 166 1HD LYS 24 2HD LYS 24 9.760 18.714 18.714 167 2HD LYS 24 1HD LYS 24 9.045 19.941 19.941 168 1HE LYS 24 2HE LYS 24 11.410 18.254 18.254 169 2HE LYS 24 1HE LYS 24 9.739 17.788 17.788 170 1HZ LYS 24 2HZ LYS 24 9.393 19.919 19.919 171 2HZ LYS 24 1HZ LYS 24 11.045 20.271 20.271 172 3HZ LYS 24 3HZ LYS 24 10.557 18.949 18.949 173 H CYS 25 H CYS 25 12.541 21.338 21.338 174 HA CYS 25 HA CYS 25 14.687 19.812 19.812 175 1HB CYS 25 2HB CYS 25 12.384 21.453 21.453 176 2HB CYS 25 1HB CYS 25 13.320 20.539 20.539 177 1HN NH2 26 1HT CYS 25 14.024 17.654 17.654 178 2HN NH2 26 2HT CYS 25 12.877 16.725 16.725 Start of MODEL 6 1 1H CYS 1 2H CYS 1 14.784 28.824 28.824 2 2H CYS 1 1H CYS 1 14.285 27.687 27.687 3 3H CYS 1 3H CYS 1 15.918 28.144 28.144 4 HA CYS 1 HA CYS 1 16.106 27.161 27.161 5 1HB CYS 1 2HB CYS 1 15.904 24.811 24.811 6 2HB CYS 1 1HB CYS 1 16.661 25.811 25.811 7 H LYS 2 H LYS 2 14.845 24.936 24.936 8 HA LYS 2 HA LYS 2 12.075 25.824 25.824 9 1HB LYS 2 2HB LYS 2 14.385 25.133 25.133 10 2HB LYS 2 1HB LYS 2 12.808 24.590 24.590 11 1HG LYS 2 2HG LYS 2 11.934 26.907 26.907 12 2HG LYS 2 1HG LYS 2 13.509 27.460 27.460 13 1HD LYS 2 2HD LYS 2 14.468 26.631 26.631 14 2HD LYS 2 1HD LYS 2 12.850 26.218 26.218 15 1HE LYS 2 2HE LYS 2 12.646 28.345 28.345 16 2HE LYS 2 1HE LYS 2 12.630 28.904 28.904 17 1HZ LYS 2 3HZ LYS 2 15.132 28.402 28.402 18 2HZ LYS 2 2HZ LYS 2 14.343 29.907 29.907 19 3HZ LYS 2 1HZ LYS 2 14.930 29.245 29.245 20 H GLY 3 H GLY 3 10.581 24.355 24.355 21 1HA GLY 3 2HA GLY 3 10.973 21.656 21.656 22 2HA GLY 3 1HA GLY 3 9.429 22.437 22.437 23 H LYS 4 H LYS 4 9.665 19.915 19.915 24 HA LYS 4 HA LYS 4 10.706 19.217 19.217 25 1HB LYS 4 2HB LYS 4 9.003 17.421 17.421 26 2HB LYS 4 1HB LYS 4 9.702 17.610 17.610 27 1HG LYS 4 2HG LYS 4 7.642 19.214 19.214 28 2HG LYS 4 1HG LYS 4 6.946 18.436 18.436 29 1HD LYS 4 2HD LYS 4 7.247 16.210 16.210 30 2HD LYS 4 1HD LYS 4 7.944 16.990 16.990 31 1HE LYS 4 2HE LYS 4 5.795 18.283 18.283 32 2HE LYS 4 1HE LYS 4 5.107 17.372 17.372 33 1HZ LYS 4 1HZ LYS 4 5.565 15.333 15.333 34 2HZ LYS 4 3HZ LYS 4 6.111 16.267 16.267 35 3HZ LYS 4 2HZ LYS 4 4.491 16.371 16.371 36 H GLY 5 H GLY 5 10.135 19.455 19.455 37 1HA GLY 5 2HA GLY 5 8.920 20.075 20.075 38 2HA GLY 5 1HA GLY 5 7.533 20.416 20.416 39 H ALA 6 H ALA 6 10.376 22.004 22.004 40 HA ALA 6 HA ALA 6 9.298 24.588 24.588 41 1HB ALA 6 2HB ALA 6 9.832 24.297 24.297 42 2HB ALA 6 1HB ALA 6 11.513 24.029 24.029 43 3HB ALA 6 3HB ALA 6 10.757 25.593 25.593 44 H LYS 7 H LYS 7 10.894 26.237 26.237 45 HA LYS 7 HA LYS 7 12.539 25.255 25.255 46 1HB LYS 7 2HB LYS 7 11.580 27.921 27.921 47 2HB LYS 7 1HB LYS 7 13.102 27.967 27.967 48 1HG LYS 7 2HG LYS 7 11.457 28.297 28.297 49 2HG LYS 7 1HG LYS 7 12.004 26.649 26.649 50 1HD LYS 7 2HD LYS 7 9.703 26.310 26.310 51 2HD LYS 7 1HD LYS 7 9.965 26.094 26.094 52 1HE LYS 7 2HE LYS 7 9.355 28.468 28.468 53 2HE LYS 7 1HE LYS 7 9.092 28.693 28.693 54 1HZ LYS 7 1HZ LYS 7 7.457 26.843 26.843 55 2HZ LYS 7 3HZ LYS 7 7.604 26.925 26.925 56 3HZ LYS 7 2HZ LYS 7 7.017 28.263 28.263 57 H CYS 8 H CYS 8 14.058 24.035 24.035 58 HA CYS 8 HA CYS 8 15.934 25.185 25.185 59 1HB CYS 8 2HB CYS 8 16.700 23.047 23.047 60 2HB CYS 8 1HB CYS 8 15.008 22.835 22.835 61 H SER 9 H SER 9 18.247 24.133 24.133 62 HA SER 9 HA SER 9 19.239 24.590 24.590 63 1HB SER 9 2HB SER 9 20.967 26.264 26.264 64 2HB SER 9 1HB SER 9 19.962 26.710 26.710 65 HG SER 9 HG SER 9 18.924 26.399 26.399 66 H ARG 10 H ARG 10 20.738 23.246 23.246 67 HA ARG 10 HA ARG 10 21.825 21.611 21.611 68 1HB ARG 10 2HB ARG 10 22.174 21.674 21.674 69 2HB ARG 10 1HB ARG 10 23.246 20.682 20.682 70 1HG ARG 10 2HG ARG 10 21.260 19.566 19.566 71 2HG ARG 10 1HG ARG 10 20.202 20.525 20.525 72 1HD ARG 10 2HD ARG 10 20.477 18.397 18.397 73 2HD ARG 10 1HD ARG 10 21.470 19.541 19.541 74 HE ARG 10 HE ARG 10 23.380 18.399 18.399 75 1HH1 ARG 10 1HH1 ARG 10 21.482 16.227 16.227 76 2HH1 ARG 10 2HH1 ARG 10 20.633 17.494 17.494 77 1HH2 ARG 10 1HH2 ARG 10 24.469 16.802 16.802 78 2HH2 ARG 10 2HH2 ARG 10 23.689 15.828 15.828 79 H LEU 11 H LEU 11 22.641 24.548 24.548 80 HA LEU 11 HA LEU 11 25.545 24.351 24.351 81 1HB LEU 11 2HB LEU 11 24.495 25.571 25.571 82 2HB LEU 11 1HB LEU 11 23.968 26.786 26.786 83 HG LEU 11 HG LEU 11 26.544 26.783 26.783 84 1HD1 LEU 11 3HD1 LEU 11 27.158 24.838 24.838 85 2HD1 LEU 11 2HD1 LEU 11 26.707 25.774 25.774 86 3HD1 LEU 11 1HD1 LEU 11 28.063 26.280 26.280 87 1HD2 LEU 11 3HD2 LEU 11 25.572 28.049 28.049 88 2HD2 LEU 11 2HD2 LEU 11 25.394 28.728 28.728 89 3HD2 LEU 11 1HD2 LEU 11 26.990 28.553 28.553 90 H MET 12 H MET 12 22.567 25.404 25.404 91 HA MET 12 HA MET 12 23.985 26.278 26.278 92 1HB MET 12 2HB MET 12 22.017 27.983 27.983 93 2HB MET 12 1HB MET 12 22.387 28.327 28.327 94 1HG MET 12 2HG MET 12 24.333 28.328 28.328 95 2HG MET 12 1HG MET 12 23.763 29.707 29.707 96 1HE MET 12 2HE MET 12 24.074 29.750 29.750 97 2HE MET 12 1HE MET 12 25.771 29.922 29.922 98 3HE MET 12 3HE MET 12 25.104 30.861 30.861 99 H TYR 13 H TYR 13 22.666 23.958 23.958 100 HA TYR 13 HA TYR 13 20.365 22.988 22.988 101 1HB TYR 13 2HB TYR 13 22.588 22.750 22.750 102 2HB TYR 13 1HB TYR 13 21.120 21.796 21.796 103 HD1 TYR 13 HD2 TYR 13 20.397 20.293 20.293 104 HD2 TYR 13 HD1 TYR 13 24.220 22.169 22.169 105 HE1 TYR 13 HE2 TYR 13 21.189 18.719 18.719 106 HE2 TYR 13 HE1 TYR 13 25.004 20.592 20.592 107 HH TYR 13 HH TYR 13 24.497 18.886 18.886 108 H ASP 14 H ASP 14 19.305 24.982 24.982 109 HA ASP 14 HA ASP 14 18.516 26.512 26.512 110 1HB ASP 14 2HB ASP 14 17.786 26.413 26.413 111 2HB ASP 14 1HB ASP 14 16.381 25.765 25.765 112 H CYS 15 H CYS 15 17.476 23.350 23.350 113 HA CYS 15 HA CYS 15 15.195 23.125 23.125 114 1HB CYS 15 2HB CYS 15 17.026 20.839 20.839 115 2HB CYS 15 1HB CYS 15 15.296 20.820 20.820 116 H CYS 16 H CYS 16 14.909 22.403 22.403 117 HA CYS 16 HA CYS 16 16.788 22.979 22.979 118 1HB CYS 16 2HB CYS 16 14.433 21.088 21.088 119 2HB CYS 16 1HB CYS 16 15.151 21.956 21.956 120 H THR 17 H THR 17 15.817 19.920 19.920 121 HA THR 17 HA THR 17 18.102 18.564 18.564 122 HB THR 17 HB THR 17 15.757 17.147 17.147 123 HG1 THR 17 HG1 THR 17 16.014 18.312 18.312 124 1HG2 THR 17 1HG2 THR 17 17.525 16.437 16.437 125 2HG2 THR 17 3HG2 THR 17 16.216 15.441 15.441 126 3HG2 THR 17 2HG2 THR 17 17.661 15.682 15.682 127 H GLY 18 H GLY 18 18.420 20.199 20.199 128 1HA GLY 18 2HA GLY 18 19.266 20.293 20.293 129 2HA GLY 18 1HA GLY 18 20.441 19.209 19.209 130 H SER 19 H SER 19 17.078 18.678 18.678 131 HA SER 19 HA SER 19 17.622 16.144 16.144 132 1HB SER 19 2HB SER 19 15.360 17.507 17.507 133 2HB SER 19 1HB SER 19 14.897 16.891 16.891 134 HG SER 19 HG SER 19 14.802 15.358 15.358 135 H CYS 20 H CYS 20 17.455 19.277 19.277 136 HA CYS 20 HA CYS 20 16.361 19.864 19.864 137 1HB CYS 20 2HB CYS 20 18.360 20.973 20.973 138 2HB CYS 20 1HB CYS 20 19.360 19.917 19.917 139 H ARG 21 H ARG 21 15.846 19.196 19.196 140 HA ARG 21 HA ARG 21 17.366 17.022 17.022 141 1HB ARG 21 2HB ARG 21 14.412 17.728 17.728 142 2HB ARG 21 1HB ARG 21 15.256 16.339 16.339 143 1HG ARG 21 2HG ARG 21 15.396 15.250 15.250 144 2HG ARG 21 1HG ARG 21 15.109 16.722 16.722 145 1HD ARG 21 2HD ARG 21 12.776 16.785 16.785 146 2HD ARG 21 1HD ARG 21 13.086 15.126 15.126 147 HE ARG 21 HE ARG 21 13.643 14.963 14.963 148 1HH1 ARG 21 2HH1 ARG 21 10.994 16.423 16.423 149 2HH1 ARG 21 1HH1 ARG 21 9.877 16.160 16.160 150 1HH2 ARG 21 1HH2 ARG 21 12.237 14.628 14.628 151 2HH2 ARG 21 2HH2 ARG 21 10.587 15.134 15.134 152 H SER 22 H SER 22 18.583 19.035 19.035 153 HA SER 22 HA SER 22 19.345 20.683 20.683 154 1HB SER 22 2HB SER 22 19.142 18.512 18.512 155 2HB SER 22 1HB SER 22 17.730 19.288 19.288 156 HG SER 22 HG SER 22 19.319 20.147 20.147 157 H GLY 23 H GLY 23 16.858 21.197 21.197 158 1HA GLY 23 2HA GLY 23 16.124 23.691 23.691 159 2HA GLY 23 1HA GLY 23 15.414 22.975 22.975 160 H LYS 24 H LYS 24 14.794 20.513 20.513 161 HA LYS 24 HA LYS 24 12.394 21.723 21.723 162 1HB LYS 24 2HB LYS 24 12.671 19.281 19.281 163 2HB LYS 24 1HB LYS 24 11.404 19.307 19.307 164 1HG LYS 24 2HG LYS 24 11.805 21.504 21.504 165 2HG LYS 24 1HG LYS 24 10.711 20.157 20.157 166 1HD LYS 24 2HD LYS 24 9.097 21.302 21.302 167 2HD LYS 24 1HD LYS 24 10.047 21.213 21.213 168 1HE LYS 24 2HE LYS 24 11.221 23.322 23.322 169 2HE LYS 24 1HE LYS 24 10.271 23.398 23.398 170 1HZ LYS 24 2HZ LYS 24 8.382 23.109 23.109 171 2HZ LYS 24 1HZ LYS 24 9.541 24.042 24.042 172 3HZ LYS 24 3HZ LYS 24 8.889 24.590 24.590 173 H CYS 25 H CYS 25 12.600 21.502 21.502 174 HA CYS 25 HA CYS 25 14.540 19.898 19.898 175 1HB CYS 25 2HB CYS 25 11.985 21.134 21.134 176 2HB CYS 25 1HB CYS 25 12.991 20.230 20.230 177 1HN NH2 26 1HT CYS 25 14.723 17.720 17.720 178 2HN NH2 26 2HT CYS 25 13.446 16.612 16.612 Start of MODEL 7 1 1H CYS 1 3H CYS 1 14.508 28.728 28.728 2 2H CYS 1 2H CYS 1 13.914 27.545 27.545 3 3H CYS 1 1H CYS 1 15.540 28.026 28.026 4 HA CYS 1 HA CYS 1 15.970 27.118 27.118 5 1HB CYS 1 2HB CYS 1 15.679 24.735 24.735 6 2HB CYS 1 1HB CYS 1 16.313 25.674 25.674 7 H LYS 2 H LYS 2 14.936 25.050 25.050 8 HA LYS 2 HA LYS 2 12.279 26.003 26.003 9 1HB LYS 2 2HB LYS 2 14.726 24.910 24.910 10 2HB LYS 2 1HB LYS 2 13.180 24.530 24.530 11 1HG LYS 2 2HG LYS 2 13.873 26.535 26.535 12 2HG LYS 2 1HG LYS 2 12.629 27.025 27.025 13 1HD LYS 2 2HD LYS 2 14.100 28.166 28.166 14 2HD LYS 2 1HD LYS 2 15.417 27.046 27.046 15 1HE LYS 2 2HE LYS 2 15.616 28.021 28.021 16 2HE LYS 2 1HE LYS 2 14.461 29.248 29.248 17 1HZ LYS 2 1HZ LYS 2 16.248 29.309 29.309 18 2HZ LYS 2 3HZ LYS 2 17.238 28.954 28.954 19 3HZ LYS 2 2HZ LYS 2 16.258 30.341 30.341 20 H GLY 3 H GLY 3 10.619 24.731 24.731 21 1HA GLY 3 2HA GLY 3 10.720 22.122 22.122 22 2HA GLY 3 1HA GLY 3 9.276 22.937 22.937 23 H LYS 4 H LYS 4 9.288 20.355 20.355 24 HA LYS 4 HA LYS 4 10.619 19.341 19.341 25 1HB LYS 4 2HB LYS 4 8.805 17.635 17.635 26 2HB LYS 4 1HB LYS 4 9.428 17.885 17.885 27 1HG LYS 4 2HG LYS 4 7.503 19.344 19.344 28 2HG LYS 4 1HG LYS 4 6.867 19.174 19.174 29 1HD LYS 4 2HD LYS 4 7.410 16.737 16.737 30 2HD LYS 4 1HD LYS 4 5.910 17.631 17.631 31 1HE LYS 4 2HE LYS 4 6.936 16.418 16.418 32 2HE LYS 4 1HE LYS 4 5.705 15.704 15.704 33 1HZ LYS 4 2HZ LYS 4 4.569 17.986 17.986 34 2HZ LYS 4 1HZ LYS 4 5.561 18.118 18.118 35 3HZ LYS 4 3HZ LYS 4 4.464 16.829 16.829 36 H GLY 5 H GLY 5 10.175 19.235 19.235 37 1HA GLY 5 2HA GLY 5 9.286 19.791 19.791 38 2HA GLY 5 1HA GLY 5 7.767 20.150 20.150 39 H ALA 6 H ALA 6 10.398 21.888 21.888 40 HA ALA 6 HA ALA 6 9.335 24.399 24.399 41 1HB ALA 6 3HB ALA 6 11.655 23.829 23.829 42 2HB ALA 6 2HB ALA 6 11.056 25.437 25.437 43 3HB ALA 6 1HB ALA 6 10.031 24.295 24.295 44 H LYS 7 H LYS 7 10.643 25.984 25.984 45 HA LYS 7 HA LYS 7 12.258 24.944 24.944 46 1HB LYS 7 2HB LYS 7 10.669 26.993 26.993 47 2HB LYS 7 1HB LYS 7 11.911 27.882 27.882 48 1HG LYS 7 2HG LYS 7 12.448 28.362 28.362 49 2HG LYS 7 1HG LYS 7 13.508 27.003 27.003 50 1HD LYS 7 2HD LYS 7 11.699 25.475 25.475 51 2HD LYS 7 1HD LYS 7 10.788 26.914 26.914 52 1HE LYS 7 2HE LYS 7 12.659 27.685 27.685 53 2HE LYS 7 1HE LYS 7 13.604 26.274 26.274 54 1HZ LYS 7 2HZ LYS 7 10.943 26.090 26.090 55 2HZ LYS 7 1HZ LYS 7 12.399 26.113 26.113 56 3HZ LYS 7 3HZ LYS 7 12.085 24.852 24.852 57 H CYS 8 H CYS 8 13.888 23.941 23.941 58 HA CYS 8 HA CYS 8 15.678 25.447 25.447 59 1HB CYS 8 2HB CYS 8 16.547 23.437 23.437 60 2HB CYS 8 1HB CYS 8 14.968 22.950 22.950 61 H SER 9 H SER 9 18.114 24.396 24.396 62 HA SER 9 HA SER 9 18.911 24.873 24.873 63 1HB SER 9 2HB SER 9 20.617 26.642 26.642 64 2HB SER 9 1HB SER 9 19.597 27.038 27.038 65 HG SER 9 HG SER 9 19.114 27.315 27.315 66 H ARG 10 H ARG 10 20.501 23.659 23.659 67 HA ARG 10 HA ARG 10 21.732 21.949 21.949 68 1HB ARG 10 2HB ARG 10 23.190 21.230 21.230 69 2HB ARG 10 1HB ARG 10 21.474 20.945 20.945 70 1HG ARG 10 2HG ARG 10 21.201 22.443 22.443 71 2HG ARG 10 1HG ARG 10 22.274 23.629 23.629 72 1HD ARG 10 2HD ARG 10 23.997 21.498 21.498 73 2HD ARG 10 1HD ARG 10 22.828 21.650 21.650 74 HE ARG 10 HE ARG 10 23.737 23.735 23.735 75 1HH1 ARG 10 2HH1 ARG 10 24.752 22.758 22.758 76 2HH1 ARG 10 1HH1 ARG 10 25.883 24.059 24.059 77 1HH2 ARG 10 1HH2 ARG 10 25.154 25.388 25.388 78 2HH2 ARG 10 2HH2 ARG 10 26.112 25.574 25.574 79 H LEU 11 H LEU 11 22.527 25.031 25.031 80 HA LEU 11 HA LEU 11 25.412 24.815 24.815 81 1HB LEU 11 2HB LEU 11 25.426 27.250 27.250 82 2HB LEU 11 1HB LEU 11 24.581 26.386 26.386 83 HG LEU 11 HG LEU 11 22.692 27.155 27.155 84 1HD1 LEU 11 1HD1 LEU 11 24.305 29.008 29.008 85 2HD1 LEU 11 3HD1 LEU 11 24.235 29.428 29.428 86 3HD1 LEU 11 2HD1 LEU 11 22.809 29.608 29.608 87 1HD2 LEU 11 1HD2 LEU 11 22.931 27.895 27.895 88 2HD2 LEU 11 3HD2 LEU 11 22.008 26.554 26.554 89 3HD2 LEU 11 2HD2 LEU 11 21.521 28.205 28.205 90 H MET 12 H MET 12 22.744 25.077 25.077 91 HA MET 12 HA MET 12 24.433 25.508 25.508 92 1HB MET 12 2HB MET 12 23.277 27.645 27.645 93 2HB MET 12 1HB MET 12 24.215 27.868 27.868 94 1HG MET 12 2HG MET 12 22.392 28.353 28.353 95 2HG MET 12 1HG MET 12 21.453 27.045 27.045 96 1HE MET 12 3HE MET 12 22.959 30.488 30.488 97 2HE MET 12 2HE MET 12 21.877 30.757 30.757 98 3HE MET 12 1HE MET 12 21.478 31.403 31.403 99 H TYR 13 H TYR 13 22.713 23.521 23.521 100 HA TYR 13 HA TYR 13 20.382 22.721 22.721 101 1HB TYR 13 2HB TYR 13 22.306 21.716 21.716 102 2HB TYR 13 1HB TYR 13 21.070 20.819 20.819 103 HD1 TYR 13 HD1 TYR 13 21.445 20.224 20.224 104 HD2 TYR 13 HD2 TYR 13 24.491 22.057 22.057 105 HE1 TYR 13 HE1 TYR 13 23.111 19.575 19.575 106 HE2 TYR 13 HE2 TYR 13 26.159 21.404 21.404 107 HH TYR 13 HH TYR 13 26.527 20.471 20.471 108 H ASP 14 H ASP 14 19.696 24.838 24.838 109 HA ASP 14 HA ASP 14 19.475 25.823 25.823 110 1HB ASP 14 2HB ASP 14 17.484 27.055 27.055 111 2HB ASP 14 1HB ASP 14 18.994 27.204 27.204 112 H CYS 15 H CYS 15 17.884 23.149 23.149 113 HA CYS 15 HA CYS 15 15.430 23.153 23.153 114 1HB CYS 15 2HB CYS 15 17.149 20.776 20.776 115 2HB CYS 15 1HB CYS 15 15.422 20.771 20.771 116 H CYS 16 H CYS 16 14.793 22.409 22.409 117 HA CYS 16 HA CYS 16 16.363 22.796 22.796 118 1HB CYS 16 2HB CYS 16 13.937 21.020 21.020 119 2HB CYS 16 1HB CYS 16 14.491 21.782 21.782 120 H THR 17 H THR 17 15.518 19.830 19.830 121 HA THR 17 HA THR 17 17.556 18.360 18.360 122 HB THR 17 HB THR 17 15.228 17.062 17.062 123 HG1 THR 17 HG1 THR 17 14.052 17.403 17.403 124 1HG2 THR 17 2HG2 THR 17 16.899 16.260 16.260 125 2HG2 THR 17 1HG2 THR 17 15.510 15.357 15.357 126 3HG2 THR 17 3HG2 THR 17 16.963 15.457 15.457 127 H GLY 18 H GLY 18 18.273 19.917 19.917 128 1HA GLY 18 2HA GLY 18 19.410 19.929 19.929 129 2HA GLY 18 1HA GLY 18 20.229 18.555 18.555 130 H SER 19 H SER 19 16.910 18.817 18.817 131 HA SER 19 HA SER 19 16.970 16.347 16.347 132 1HB SER 19 2HB SER 19 15.009 18.028 18.028 133 2HB SER 19 1HB SER 19 14.478 17.709 17.709 134 HG SER 19 HG SER 19 13.872 15.938 15.938 135 H CYS 20 H CYS 20 17.475 19.554 19.554 136 HA CYS 20 HA CYS 20 16.461 20.262 20.262 137 1HB CYS 20 2HB CYS 20 18.301 21.444 21.444 138 2HB CYS 20 1HB CYS 20 19.430 20.373 20.373 139 H ARG 21 H ARG 21 16.128 19.449 19.449 140 HA ARG 21 HA ARG 21 17.942 17.409 17.409 141 1HB ARG 21 2HB ARG 21 15.508 16.776 16.776 142 2HB ARG 21 1HB ARG 21 14.976 17.687 17.687 143 1HG ARG 21 2HG ARG 21 16.382 16.249 16.249 144 2HG ARG 21 1HG ARG 21 16.908 15.334 15.334 145 1HD ARG 21 2HD ARG 21 15.013 14.185 14.185 146 2HD ARG 21 1HD ARG 21 14.566 14.644 14.644 147 HE ARG 21 HE ARG 21 13.024 16.169 16.169 148 1HH1 ARG 21 1HH2 ARG 21 15.244 15.164 15.164 149 2HH1 ARG 21 2HH2 ARG 21 14.362 15.956 15.956 150 1HH2 ARG 21 2HH1 ARG 21 11.900 17.168 17.168 151 2HH2 ARG 21 1HH1 ARG 21 12.444 17.102 17.102 152 H SER 22 H SER 22 18.907 19.531 19.531 153 HA SER 22 HA SER 22 19.530 21.216 21.216 154 1HB SER 22 2HB SER 22 18.355 19.221 19.221 155 2HB SER 22 1HB SER 22 19.543 20.483 20.483 156 HG SER 22 HG SER 22 19.815 18.384 18.384 157 H GLY 23 H GLY 23 16.947 21.457 21.457 158 1HA GLY 23 2HA GLY 23 15.901 23.780 23.780 159 2HA GLY 23 1HA GLY 23 15.369 22.869 22.869 160 H LYS 24 H LYS 24 14.994 20.478 20.478 161 HA LYS 24 HA LYS 24 12.388 21.442 21.442 162 1HB LYS 24 2HB LYS 24 12.188 19.969 19.969 163 2HB LYS 24 1HB LYS 24 12.916 18.669 18.669 164 1HG LYS 24 2HG LYS 24 11.056 19.100 19.100 165 2HG LYS 24 1HG LYS 24 10.278 20.085 20.085 166 1HD LYS 24 2HD LYS 24 10.290 18.107 18.107 167 2HD LYS 24 1HD LYS 24 11.011 17.135 17.135 168 1HE LYS 24 2HE LYS 24 8.337 18.580 18.580 169 2HE LYS 24 1HE LYS 24 8.495 16.891 16.891 170 1HZ LYS 24 1HZ LYS 24 9.938 17.680 17.680 171 2HZ LYS 24 3HZ LYS 24 8.244 17.731 17.731 172 3HZ LYS 24 2HZ LYS 24 9.025 16.285 16.285 173 H CYS 25 H CYS 25 12.473 21.304 21.304 174 HA CYS 25 HA CYS 25 14.575 19.839 19.839 175 1HB CYS 25 2HB CYS 25 12.098 21.278 21.278 176 2HB CYS 25 1HB CYS 25 13.029 20.397 20.397 177 1HN NH2 26 1HT CYS 25 14.326 17.622 17.622 178 2HN NH2 26 2HT CYS 25 13.132 16.601 16.601 Start of MODEL 8 1 1H CYS 1 3H CYS 1 13.915 27.449 27.449 2 2H CYS 1 2H CYS 1 15.539 27.931 27.931 3 3H CYS 1 1H CYS 1 14.530 28.653 28.653 4 HA CYS 1 HA CYS 1 15.991 27.084 27.084 5 1HB CYS 1 2HB CYS 1 15.722 24.668 24.668 6 2HB CYS 1 1HB CYS 1 16.428 25.625 25.625 7 H LYS 2 H LYS 2 15.002 25.012 25.012 8 HA LYS 2 HA LYS 2 12.340 25.924 25.924 9 1HB LYS 2 2HB LYS 2 14.795 24.844 24.844 10 2HB LYS 2 1HB LYS 2 13.263 24.376 24.376 11 1HG LYS 2 2HG LYS 2 12.625 26.772 26.772 12 2HG LYS 2 1HG LYS 2 14.137 27.241 27.241 13 1HD LYS 2 2HD LYS 2 15.159 25.740 25.740 14 2HD LYS 2 1HD LYS 2 13.613 26.093 26.093 15 1HE LYS 2 2HE LYS 2 15.203 28.383 28.383 16 2HE LYS 2 1HE LYS 2 15.654 27.739 27.739 17 1HZ LYS 2 3HZ LYS 2 13.265 28.017 28.017 18 2HZ LYS 2 2HZ LYS 2 13.065 28.909 28.909 19 3HZ LYS 2 1HZ LYS 2 14.143 29.450 29.450 20 H GLY 3 H GLY 3 10.733 24.573 24.573 21 1HA GLY 3 2HA GLY 3 10.755 21.972 21.972 22 2HA GLY 3 1HA GLY 3 9.331 22.848 22.848 23 H LYS 4 H LYS 4 9.083 20.404 20.404 24 HA LYS 4 HA LYS 4 10.374 19.242 19.242 25 1HB LYS 4 2HB LYS 4 8.300 17.819 17.819 26 2HB LYS 4 1HB LYS 4 8.971 17.903 17.903 27 1HG LYS 4 2HG LYS 4 7.271 19.693 19.693 28 2HG LYS 4 1HG LYS 4 6.563 19.480 19.480 29 1HD LYS 4 2HD LYS 4 5.992 17.164 17.164 30 2HD LYS 4 1HD LYS 4 6.882 17.202 17.202 31 1HE LYS 4 2HE LYS 4 5.317 18.901 18.901 32 2HE LYS 4 1HE LYS 4 4.430 18.906 18.906 33 1HZ LYS 4 1HZ LYS 4 4.847 16.419 16.419 34 2HZ LYS 4 3HZ LYS 4 3.564 17.474 17.474 35 3HZ LYS 4 2HZ LYS 4 3.677 16.763 16.763 36 H GLY 5 H GLY 5 10.207 19.380 19.380 37 1HA GLY 5 2HA GLY 5 9.533 20.025 20.025 38 2HA GLY 5 1HA GLY 5 7.955 20.414 20.414 39 H ALA 6 H ALA 6 10.565 21.985 21.985 40 HA ALA 6 HA ALA 6 9.655 24.586 24.586 41 1HB ALA 6 3HB ALA 6 11.940 23.810 23.810 42 2HB ALA 6 2HB ALA 6 11.408 25.463 25.463 43 3HB ALA 6 1HB ALA 6 10.338 24.320 24.320 44 H LYS 7 H LYS 7 10.995 26.115 26.115 45 HA LYS 7 HA LYS 7 12.574 25.064 25.064 46 1HB LYS 7 2HB LYS 7 11.631 27.774 27.774 47 2HB LYS 7 1HB LYS 7 12.977 27.740 27.740 48 1HG LYS 7 2HG LYS 7 10.889 27.892 27.892 49 2HG LYS 7 1HG LYS 7 11.663 26.355 26.355 50 1HD LYS 7 2HD LYS 7 10.131 25.213 25.213 51 2HD LYS 7 1HD LYS 7 9.404 26.751 26.751 52 1HE LYS 7 2HE LYS 7 8.471 27.021 27.021 53 2HE LYS 7 1HE LYS 7 9.415 25.674 25.674 54 1HZ LYS 7 2HZ LYS 7 8.213 24.251 24.251 55 2HZ LYS 7 1HZ LYS 7 7.186 25.569 25.569 56 3HZ LYS 7 3HZ LYS 7 7.257 24.889 24.889 57 H CYS 8 H CYS 8 14.159 23.955 23.955 58 HA CYS 8 HA CYS 8 16.093 25.323 25.323 59 1HB CYS 8 2HB CYS 8 16.926 23.245 23.245 60 2HB CYS 8 1HB CYS 8 15.263 22.905 22.905 61 H SER 9 H SER 9 18.462 24.143 24.143 62 HA SER 9 HA SER 9 19.087 24.704 24.704 63 1HB SER 9 2HB SER 9 20.947 26.402 26.402 64 2HB SER 9 1HB SER 9 19.865 26.884 26.884 65 HG SER 9 HG SER 9 19.361 27.929 27.929 66 H ARG 10 H ARG 10 20.946 23.711 23.711 67 HA ARG 10 HA ARG 10 22.049 21.704 21.704 68 1HB ARG 10 2HB ARG 10 22.422 22.607 22.607 69 2HB ARG 10 1HB ARG 10 23.891 21.972 21.972 70 1HG ARG 10 2HG ARG 10 21.386 20.370 20.370 71 2HG ARG 10 1HG ARG 10 22.019 20.403 20.403 72 1HD ARG 10 2HD ARG 10 24.275 19.703 19.703 73 2HD ARG 10 1HD ARG 10 23.476 19.495 19.495 74 HE ARG 10 HE ARG 10 21.943 18.073 18.073 75 1HH1 ARG 10 1HH2 ARG 10 25.147 18.039 18.039 76 2HH1 ARG 10 2HH2 ARG 10 25.341 16.333 16.333 77 1HH2 ARG 10 2HH1 ARG 10 22.160 15.915 15.915 78 2HH2 ARG 10 1HH1 ARG 10 23.620 15.108 15.108 79 H LEU 11 H LEU 11 22.849 24.949 24.949 80 HA LEU 11 HA LEU 11 25.515 24.777 24.777 81 1HB LEU 11 2HB LEU 11 25.706 27.182 27.182 82 2HB LEU 11 1HB LEU 11 25.434 26.102 26.102 83 HG LEU 11 HG LEU 11 22.924 27.212 27.212 84 1HD1 LEU 11 3HD1 LEU 11 24.435 29.196 29.196 85 2HD1 LEU 11 2HD1 LEU 11 24.790 29.005 29.005 86 3HD1 LEU 11 1HD1 LEU 11 23.162 29.407 29.407 87 1HD2 LEU 11 1HD2 LEU 11 23.014 25.793 25.793 88 2HD2 LEU 11 3HD2 LEU 11 22.224 27.344 27.344 89 3HD2 LEU 11 2HD2 LEU 11 23.869 27.110 27.110 90 H MET 12 H MET 12 22.332 25.375 25.375 91 HA MET 12 HA MET 12 23.064 26.393 26.393 92 1HB MET 12 2HB MET 12 21.018 27.681 27.681 93 2HB MET 12 1HB MET 12 21.097 28.019 28.019 94 1HG MET 12 2HG MET 12 23.567 28.619 28.619 95 2HG MET 12 1HG MET 12 23.162 28.620 28.620 96 1HE MET 12 1HE MET 12 20.937 29.828 29.828 97 2HE MET 12 3HE MET 12 20.872 31.555 31.555 98 3HE MET 12 2HE MET 12 22.305 30.847 30.847 99 H TYR 13 H TYR 13 22.645 24.423 24.423 100 HA TYR 13 HA TYR 13 20.107 23.004 23.004 101 1HB TYR 13 2HB TYR 13 22.691 22.500 22.500 102 2HB TYR 13 1HB TYR 13 21.277 21.648 21.648 103 HD1 TYR 13 HD1 TYR 13 22.945 22.374 22.374 104 HD2 TYR 13 HD2 TYR 13 20.865 19.567 19.567 105 HE1 TYR 13 HE1 TYR 13 23.192 20.652 20.652 106 HE2 TYR 13 HE2 TYR 13 21.114 17.865 17.865 107 HH TYR 13 HH TYR 13 21.839 17.407 17.407 108 H ASP 14 H ASP 14 19.217 25.178 25.178 109 HA ASP 14 HA ASP 14 19.073 26.158 26.158 110 1HB ASP 14 2HB ASP 14 18.240 27.136 27.136 111 2HB ASP 14 1HB ASP 14 16.800 26.246 26.246 112 H CYS 15 H CYS 15 17.547 23.415 23.415 113 HA CYS 15 HA CYS 15 15.251 23.070 23.070 114 1HB CYS 15 2HB CYS 15 17.079 20.779 20.779 115 2HB CYS 15 1HB CYS 15 15.337 20.805 20.805 116 H CYS 16 H CYS 16 14.792 22.397 22.397 117 HA CYS 16 HA CYS 16 16.510 22.746 22.746 118 1HB CYS 16 2HB CYS 16 14.088 20.942 20.942 119 2HB CYS 16 1HB CYS 16 14.734 21.717 21.717 120 H THR 17 H THR 17 15.566 19.822 19.822 121 HA THR 17 HA THR 17 17.695 18.297 18.297 122 HB THR 17 HB THR 17 15.284 17.492 17.492 123 HG1 THR 17 HG1 THR 17 15.850 15.350 15.350 124 1HG2 THR 17 1HG2 THR 17 14.727 18.042 18.042 125 2HG2 THR 17 3HG2 THR 17 15.425 16.458 16.458 126 3HG2 THR 17 2HG2 THR 17 14.021 16.620 16.620 127 H GLY 18 H GLY 18 18.229 19.945 19.945 128 1HA GLY 18 2HA GLY 18 19.218 20.027 20.027 129 2HA GLY 18 1HA GLY 18 20.199 18.753 18.753 130 H SER 19 H SER 19 16.843 18.797 18.797 131 HA SER 19 HA SER 19 17.022 16.252 16.252 132 1HB SER 19 2HB SER 19 14.977 17.947 17.947 133 2HB SER 19 1HB SER 19 14.493 17.475 17.475 134 HG SER 19 HG SER 19 15.009 15.320 15.320 135 H CYS 20 H CYS 20 17.425 19.413 19.413 136 HA CYS 20 HA CYS 20 16.459 20.031 20.031 137 1HB CYS 20 2HB CYS 20 18.417 21.096 21.096 138 2HB CYS 20 1HB CYS 20 19.437 19.958 19.958 139 H ARG 21 H ARG 21 16.193 19.420 19.420 140 HA ARG 21 HA ARG 21 17.805 17.210 17.210 141 1HB ARG 21 2HB ARG 21 14.810 17.695 17.695 142 2HB ARG 21 1HB ARG 21 15.757 16.361 16.361 143 1HG ARG 21 2HG ARG 21 15.269 16.861 16.861 144 2HG ARG 21 1HG ARG 21 14.290 15.792 15.792 145 1HD ARG 21 2HD ARG 21 16.110 14.258 14.258 146 2HD ARG 21 1HD ARG 21 17.301 15.436 15.436 147 HE ARG 21 HE ARG 21 15.232 14.720 14.720 148 1HH1 ARG 21 2HH1 ARG 21 18.427 14.140 14.140 149 2HH1 ARG 21 1HH1 ARG 21 18.973 13.410 13.410 150 1HH2 ARG 21 1HH2 ARG 21 15.908 13.797 13.797 151 2HH2 ARG 21 2HH2 ARG 21 17.529 13.209 13.209 152 H SER 22 H SER 22 18.875 19.278 19.278 153 HA SER 22 HA SER 22 19.566 21.003 21.003 154 1HB SER 22 2HB SER 22 18.300 19.203 19.203 155 2HB SER 22 1HB SER 22 19.659 20.315 20.315 156 HG SER 22 HG SER 22 20.930 18.932 18.932 157 H GLY 23 H GLY 23 17.067 21.362 21.362 158 1HA GLY 23 2HA GLY 23 16.098 23.728 23.728 159 2HA GLY 23 1HA GLY 23 15.474 22.838 22.838 160 H LYS 24 H LYS 24 15.043 20.453 20.453 161 HA LYS 24 HA LYS 24 12.555 21.565 21.565 162 1HB LYS 24 2HB LYS 24 12.953 18.958 18.958 163 2HB LYS 24 1HB LYS 24 11.560 19.261 19.261 164 1HG LYS 24 2HG LYS 24 11.251 21.450 21.450 165 2HG LYS 24 1HG LYS 24 12.391 20.751 20.751 166 1HD LYS 24 2HD LYS 24 10.919 18.782 18.782 167 2HD LYS 24 1HD LYS 24 9.798 19.414 19.414 168 1HE LYS 24 2HE LYS 24 10.532 20.897 20.897 169 2HE LYS 24 1HE LYS 24 9.104 19.889 19.889 170 1HZ LYS 24 2HZ LYS 24 8.477 21.307 21.307 171 2HZ LYS 24 1HZ LYS 24 9.756 22.347 22.347 172 3HZ LYS 24 3HZ LYS 24 8.477 22.104 22.104 173 H CYS 25 H CYS 25 12.637 21.373 21.373 174 HA CYS 25 HA CYS 25 14.672 19.802 19.802 175 1HB CYS 25 2HB CYS 25 12.275 21.349 21.349 176 2HB CYS 25 1HB CYS 25 13.191 20.435 20.435 177 1HN NH2 26 1HT CYS 25 14.337 17.607 17.607 178 2HN NH2 26 2HT CYS 25 13.084 16.645 16.645 Start of MODEL 9 1 1H CYS 1 2H CYS 1 15.081 28.774 28.774 2 2H CYS 1 1H CYS 1 14.415 27.645 27.645 3 3H CYS 1 3H CYS 1 16.080 27.982 27.982 4 HA CYS 1 HA CYS 1 16.355 27.041 27.041 5 1HB CYS 1 2HB CYS 1 15.940 24.707 24.707 6 2HB CYS 1 1HB CYS 1 16.659 25.614 25.614 7 H LYS 2 H LYS 2 14.979 24.931 24.931 8 HA LYS 2 HA LYS 2 12.377 26.117 26.117 9 1HB LYS 2 2HB LYS 2 14.664 24.977 24.977 10 2HB LYS 2 1HB LYS 2 13.045 24.816 24.816 11 1HG LYS 2 2HG LYS 2 14.115 27.479 27.479 12 2HG LYS 2 1HG LYS 2 14.391 26.921 26.921 13 1HD LYS 2 2HD LYS 2 11.595 26.574 26.574 14 2HD LYS 2 1HD LYS 2 11.993 28.101 28.101 15 1HE LYS 2 2HE LYS 2 12.630 27.352 27.352 16 2HE LYS 2 1HE LYS 2 11.375 28.465 28.465 17 1HZ LYS 2 3HZ LYS 2 13.125 29.827 29.827 18 2HZ LYS 2 2HZ LYS 2 14.296 28.799 28.799 19 3HZ LYS 2 1HZ LYS 2 13.275 29.700 29.700 20 H GLY 3 H GLY 3 10.744 24.877 24.877 21 1HA GLY 3 2HA GLY 3 10.534 22.317 22.317 22 2HA GLY 3 1HA GLY 3 9.237 23.145 23.145 23 H LYS 4 H LYS 4 9.478 20.454 20.454 24 HA LYS 4 HA LYS 4 11.013 19.498 19.498 25 1HB LYS 4 2HB LYS 4 8.475 18.436 18.436 26 2HB LYS 4 1HB LYS 4 9.380 17.552 17.552 27 1HG LYS 4 2HG LYS 4 11.402 17.599 17.599 28 2HG LYS 4 1HG LYS 4 10.532 18.519 18.519 29 1HD LYS 4 2HD LYS 4 8.872 16.614 16.614 30 2HD LYS 4 1HD LYS 4 9.884 15.691 15.691 31 1HE LYS 4 2HE LYS 4 11.792 15.894 15.894 32 2HE LYS 4 1HE LYS 4 10.756 16.792 16.792 33 1HZ LYS 4 1HZ LYS 4 9.338 14.539 14.539 34 2HZ LYS 4 3HZ LYS 4 10.936 13.991 13.991 35 3HZ LYS 4 2HZ LYS 4 10.199 14.847 14.847 36 H GLY 5 H GLY 5 10.749 19.685 19.685 37 1HA GLY 5 2HA GLY 5 9.649 19.731 19.731 38 2HA GLY 5 1HA GLY 5 8.116 20.020 20.020 39 H ALA 6 H ALA 6 10.522 22.011 22.011 40 HA ALA 6 HA ALA 6 9.375 24.363 24.363 41 1HB ALA 6 3HB ALA 6 9.788 24.270 24.270 42 2HB ALA 6 2HB ALA 6 11.511 24.278 24.278 43 3HB ALA 6 1HB ALA 6 10.512 25.650 25.650 44 H LYS 7 H LYS 7 10.766 26.028 26.028 45 HA LYS 7 HA LYS 7 12.573 25.148 25.148 46 1HB LYS 7 2HB LYS 7 12.027 27.903 27.903 47 2HB LYS 7 1HB LYS 7 13.059 27.651 27.651 48 1HG LYS 7 2HG LYS 7 10.614 26.204 26.204 49 2HG LYS 7 1HG LYS 7 10.144 27.760 27.760 50 1HD LYS 7 2HD LYS 7 12.190 27.518 27.518 51 2HD LYS 7 1HD LYS 7 10.469 27.580 27.580 52 1HE LYS 7 2HE LYS 7 10.280 29.768 29.768 53 2HE LYS 7 1HE LYS 7 11.966 29.708 29.708 54 1HZ LYS 7 2HZ LYS 7 11.065 29.646 29.646 55 2HZ LYS 7 1HZ LYS 7 11.561 31.048 31.048 56 3HZ LYS 7 3HZ LYS 7 12.662 29.780 29.780 57 H CYS 8 H CYS 8 14.163 23.950 23.950 58 HA CYS 8 HA CYS 8 15.951 25.082 25.082 59 1HB CYS 8 2HB CYS 8 16.741 22.992 22.992 60 2HB CYS 8 1HB CYS 8 15.115 22.656 22.656 61 H SER 9 H SER 9 18.310 24.168 24.168 62 HA SER 9 HA SER 9 19.270 24.739 24.739 63 1HB SER 9 2HB SER 9 20.852 26.501 26.501 64 2HB SER 9 1HB SER 9 19.900 26.913 26.913 65 HG SER 9 HG SER 9 19.275 27.114 27.114 66 H ARG 10 H ARG 10 20.943 23.589 23.589 67 HA ARG 10 HA ARG 10 22.171 21.927 21.927 68 1HB ARG 10 2HB ARG 10 22.933 22.336 22.336 69 2HB ARG 10 1HB ARG 10 23.583 21.079 21.079 70 1HG ARG 10 2HG ARG 10 21.065 20.425 20.425 71 2HG ARG 10 1HG ARG 10 20.750 21.424 21.424 72 1HD ARG 10 2HD ARG 10 22.709 19.081 19.081 73 2HD ARG 10 1HD ARG 10 21.065 18.992 18.992 74 HE ARG 10 HE ARG 10 22.183 21.143 21.143 75 1HH1 ARG 10 2HH1 ARG 10 22.992 17.801 17.801 76 2HH1 ARG 10 1HH1 ARG 10 23.788 17.669 17.669 77 1HH2 ARG 10 1HH2 ARG 10 23.183 20.989 20.989 78 2HH2 ARG 10 2HH2 ARG 10 23.897 19.493 19.493 79 H LEU 11 H LEU 11 22.760 25.031 25.031 80 HA LEU 11 HA LEU 11 25.646 25.022 25.022 81 1HB LEU 11 2HB LEU 11 25.595 27.354 27.354 82 2HB LEU 11 1HB LEU 11 24.915 26.262 26.262 83 HG LEU 11 HG LEU 11 22.679 27.042 27.042 84 1HD1 LEU 11 2HD1 LEU 11 24.141 28.879 28.879 85 2HD1 LEU 11 1HD1 LEU 11 24.339 29.497 29.497 86 3HD1 LEU 11 3HD1 LEU 11 22.750 29.482 29.482 87 1HD2 LEU 11 2HD2 LEU 11 23.618 28.112 28.112 88 2HD2 LEU 11 1HD2 LEU 11 22.651 26.666 26.666 89 3HD2 LEU 11 3HD2 LEU 11 21.982 28.245 28.245 90 H MET 12 H MET 12 22.684 25.515 25.515 91 HA MET 12 HA MET 12 24.105 26.392 26.392 92 1HB MET 12 2HB MET 12 22.820 28.502 28.502 93 2HB MET 12 1HB MET 12 23.722 28.540 28.540 94 1HG MET 12 2HG MET 12 21.794 28.105 28.105 95 2HG MET 12 1HG MET 12 20.820 27.671 27.671 96 1HE MET 12 1HE MET 12 20.265 28.994 28.994 97 2HE MET 12 3HE MET 12 20.656 30.688 30.688 98 3HE MET 12 2HE MET 12 19.121 30.210 30.210 99 H TYR 13 H TYR 13 22.684 24.148 24.148 100 HA TYR 13 HA TYR 13 20.431 23.157 23.157 101 1HB TYR 13 2HB TYR 13 22.563 22.793 22.793 102 2HB TYR 13 1HB TYR 13 21.199 21.705 21.705 103 HD1 TYR 13 HD1 TYR 13 20.930 20.500 20.500 104 HD2 TYR 13 HD2 TYR 13 24.460 22.692 22.692 105 HE1 TYR 13 HE1 TYR 13 22.127 19.331 19.331 106 HE2 TYR 13 HE2 TYR 13 25.656 21.523 21.523 107 HH TYR 13 HH TYR 13 25.529 20.053 20.053 108 H ASP 14 H ASP 14 19.393 25.225 25.225 109 HA ASP 14 HA ASP 14 18.755 26.441 26.441 110 1HB ASP 14 2HB ASP 14 17.942 26.880 26.880 111 2HB ASP 14 1HB ASP 14 16.555 26.051 26.051 112 H CYS 15 H CYS 15 17.542 23.476 23.476 113 HA CYS 15 HA CYS 15 15.263 23.012 23.012 114 1HB CYS 15 2HB CYS 15 17.275 20.898 20.898 115 2HB CYS 15 1HB CYS 15 15.562 20.706 20.706 116 H CYS 16 H CYS 16 14.827 22.423 22.423 117 HA CYS 16 HA CYS 16 16.577 22.803 22.803 118 1HB CYS 16 2HB CYS 16 14.079 21.102 21.102 119 2HB CYS 16 1HB CYS 16 14.772 21.845 21.845 120 H THR 17 H THR 17 15.528 19.849 19.849 121 HA THR 17 HA THR 17 17.621 18.338 18.338 122 HB THR 17 HB THR 17 15.198 17.099 17.099 123 HG1 THR 17 HG1 THR 17 14.673 18.723 18.723 124 1HG2 THR 17 3HG2 THR 17 16.909 16.236 16.236 125 2HG2 THR 17 2HG2 THR 17 15.498 15.369 15.369 126 3HG2 THR 17 1HG2 THR 17 16.941 15.452 15.452 127 H GLY 18 H GLY 18 18.261 19.895 19.895 128 1HA GLY 18 2HA GLY 18 19.287 19.880 19.880 129 2HA GLY 18 1HA GLY 18 20.173 18.558 18.558 130 H SER 19 H SER 19 16.822 18.732 18.732 131 HA SER 19 HA SER 19 16.919 16.182 16.182 132 1HB SER 19 2HB SER 19 14.910 17.935 17.935 133 2HB SER 19 1HB SER 19 14.415 17.443 17.443 134 HG SER 19 HG SER 19 13.956 15.936 15.936 135 H CYS 20 H CYS 20 17.367 19.346 19.346 136 HA CYS 20 HA CYS 20 16.434 20.060 20.060 137 1HB CYS 20 2HB CYS 20 18.514 20.911 20.911 138 2HB CYS 20 1HB CYS 20 19.424 19.793 19.793 139 H ARG 21 H ARG 21 15.742 19.126 19.126 140 HA ARG 21 HA ARG 21 17.295 16.955 16.955 141 1HB ARG 21 2HB ARG 21 14.820 16.662 16.662 142 2HB ARG 21 1HB ARG 21 14.338 17.456 17.456 143 1HG ARG 21 2HG ARG 21 14.712 15.608 15.608 144 2HG ARG 21 1HG ARG 21 16.287 15.324 15.324 145 1HD ARG 21 2HD ARG 21 15.381 14.027 14.027 146 2HD ARG 21 1HD ARG 21 13.767 14.680 14.680 147 HE ARG 21 HE ARG 21 13.379 13.095 13.095 148 1HH1 ARG 21 1HH1 ARG 21 17.186 11.996 11.996 149 2HH1 ARG 21 2HH1 ARG 21 16.768 13.356 13.356 150 1HH2 ARG 21 1HH2 ARG 21 13.878 11.364 11.364 151 2HH2 ARG 21 2HH2 ARG 21 15.523 10.850 10.850 152 H SER 22 H SER 22 18.441 18.902 18.902 153 HA SER 22 HA SER 22 19.163 20.473 20.473 154 1HB SER 22 2HB SER 22 18.861 18.207 18.207 155 2HB SER 22 1HB SER 22 17.524 19.052 19.052 156 HG SER 22 HG SER 22 18.920 20.682 20.682 157 H GLY 23 H GLY 23 16.698 21.046 21.046 158 1HA GLY 23 2HA GLY 23 15.961 23.515 23.515 159 2HA GLY 23 1HA GLY 23 15.234 22.750 22.750 160 H LYS 24 H LYS 24 14.668 20.380 20.380 161 HA LYS 24 HA LYS 24 12.299 21.648 21.648 162 1HB LYS 24 2HB LYS 24 12.426 19.147 19.147 163 2HB LYS 24 1HB LYS 24 11.156 19.355 19.355 164 1HG LYS 24 2HG LYS 24 11.382 21.813 21.813 165 2HG LYS 24 1HG LYS 24 11.310 20.460 20.460 166 1HD LYS 24 2HD LYS 24 9.230 19.661 19.661 167 2HD LYS 24 1HD LYS 24 9.329 20.856 20.856 168 1HE LYS 24 2HE LYS 24 9.207 21.642 21.642 169 2HE LYS 24 1HE LYS 24 7.766 21.445 21.445 170 1HZ LYS 24 3HZ LYS 24 8.831 23.045 23.045 171 2HZ LYS 24 2HZ LYS 24 9.965 23.375 23.375 172 3HZ LYS 24 1HZ LYS 24 8.317 23.690 23.690 173 H CYS 25 H CYS 25 12.617 21.363 21.363 174 HA CYS 25 HA CYS 25 14.572 19.644 19.644 175 1HB CYS 25 2HB CYS 25 12.131 20.943 20.943 176 2HB CYS 25 1HB CYS 25 13.293 20.103 20.103 177 1HN NH2 26 1HT CYS 25 14.277 17.482 17.482 178 2HN NH2 26 2HT CYS 25 13.097 16.438 16.438 Start of MODEL 10 1 1H CYS 1 2H CYS 1 13.928 27.482 27.482 2 2H CYS 1 1H CYS 1 15.577 27.830 27.830 3 3H CYS 1 3H CYS 1 14.683 28.656 28.656 4 HA CYS 1 HA CYS 1 16.048 27.014 27.014 5 1HB CYS 1 2HB CYS 1 15.641 24.614 24.614 6 2HB CYS 1 1HB CYS 1 16.345 25.511 25.511 7 H LYS 2 H LYS 2 14.963 24.998 24.998 8 HA LYS 2 HA LYS 2 12.359 26.073 26.073 9 1HB LYS 2 2HB LYS 2 14.794 24.957 24.957 10 2HB LYS 2 1HB LYS 2 13.249 24.607 24.607 11 1HG LYS 2 2HG LYS 2 12.866 27.242 27.242 12 2HG LYS 2 1HG LYS 2 14.612 27.269 27.269 13 1HD LYS 2 2HD LYS 2 14.830 26.876 26.876 14 2HD LYS 2 1HD LYS 2 13.562 25.675 25.675 15 1HE LYS 2 2HE LYS 2 12.501 27.346 27.346 16 2HE LYS 2 1HE LYS 2 12.017 27.888 27.888 17 1HZ LYS 2 3HZ LYS 2 14.422 28.808 28.808 18 2HZ LYS 2 2HZ LYS 2 12.958 29.659 29.659 19 3HZ LYS 2 1HZ LYS 2 13.896 29.366 29.366 20 H GLY 3 H GLY 3 10.676 24.827 24.827 21 1HA GLY 3 2HA GLY 3 10.555 22.265 22.265 22 2HA GLY 3 1HA GLY 3 9.221 23.069 23.069 23 H LYS 4 H LYS 4 9.760 20.315 20.315 24 HA LYS 4 HA LYS 4 11.166 19.521 19.521 25 1HB LYS 4 2HB LYS 4 9.152 18.263 18.263 26 2HB LYS 4 1HB LYS 4 9.380 17.496 17.496 27 1HG LYS 4 2HG LYS 4 11.825 17.352 17.352 28 2HG LYS 4 1HG LYS 4 11.622 18.131 18.131 29 1HD LYS 4 2HD LYS 4 10.268 16.283 16.283 30 2HD LYS 4 1HD LYS 4 10.209 15.545 15.545 31 1HE LYS 4 2HE LYS 4 12.589 15.062 15.062 32 2HE LYS 4 1HE LYS 4 12.807 15.989 15.989 33 1HZ LYS 4 2HZ LYS 4 11.235 14.415 14.415 34 2HZ LYS 4 1HZ LYS 4 11.300 13.471 13.471 35 3HZ LYS 4 3HZ LYS 4 12.707 13.723 13.723 36 H GLY 5 H GLY 5 10.741 20.210 20.210 37 1HA GLY 5 2HA GLY 5 9.402 19.928 19.928 38 2HA GLY 5 1HA GLY 5 7.951 20.256 20.256 39 H ALA 6 H ALA 6 10.701 22.114 22.114 40 HA ALA 6 HA ALA 6 9.452 24.552 24.552 41 1HB ALA 6 3HB ALA 6 10.092 24.513 24.513 42 2HB ALA 6 2HB ALA 6 11.761 24.220 24.220 43 3HB ALA 6 1HB ALA 6 10.985 25.742 25.742 44 H LYS 7 H LYS 7 10.924 26.184 26.184 45 HA LYS 7 HA LYS 7 12.490 25.102 25.102 46 1HB LYS 7 2HB LYS 7 12.067 27.977 27.977 47 2HB LYS 7 1HB LYS 7 12.827 27.518 27.518 48 1HG LYS 7 2HG LYS 7 10.734 27.614 27.614 49 2HG LYS 7 1HG LYS 7 10.472 26.062 26.062 50 1HD LYS 7 2HD LYS 7 8.643 27.284 27.284 51 2HD LYS 7 1HD LYS 7 9.782 27.480 27.480 52 1HE LYS 7 2HE LYS 7 10.521 29.675 29.675 53 2HE LYS 7 1HE LYS 7 9.209 29.480 29.480 54 1HZ LYS 7 2HZ LYS 7 7.650 29.424 29.424 55 2HZ LYS 7 1HZ LYS 7 8.921 29.623 29.623 56 3HZ LYS 7 3HZ LYS 7 8.555 30.861 30.861 57 H CYS 8 H CYS 8 14.120 23.971 23.971 58 HA CYS 8 HA CYS 8 15.968 25.424 25.424 59 1HB CYS 8 2HB CYS 8 16.830 23.399 23.399 60 2HB CYS 8 1HB CYS 8 15.241 22.933 22.933 61 H SER 9 H SER 9 18.420 24.187 24.187 62 HA SER 9 HA SER 9 18.925 24.969 24.969 63 1HB SER 9 2HB SER 9 20.879 26.393 26.393 64 2HB SER 9 1HB SER 9 19.964 27.034 27.034 65 HG SER 9 HG SER 9 18.172 27.235 27.235 66 H ARG 10 H ARG 10 20.684 23.899 23.899 67 HA ARG 10 HA ARG 10 21.713 21.667 21.667 68 1HB ARG 10 2HB ARG 10 23.360 21.475 21.475 69 2HB ARG 10 1HB ARG 10 21.729 21.712 21.712 70 1HG ARG 10 2HG ARG 10 22.248 24.210 24.210 71 2HG ARG 10 1HG ARG 10 23.919 23.825 23.825 72 1HD ARG 10 2HD ARG 10 24.017 22.306 22.306 73 2HD ARG 10 1HD ARG 10 22.339 22.702 22.702 74 HE ARG 10 HE ARG 10 23.776 25.137 25.137 75 1HH1 ARG 10 2HH1 ARG 10 23.616 22.310 22.310 76 2HH1 ARG 10 1HH1 ARG 10 24.148 23.143 23.143 77 1HH2 ARG 10 1HH2 ARG 10 24.451 26.213 26.213 78 2HH2 ARG 10 2HH2 ARG 10 24.628 25.388 25.388 79 H LEU 11 H LEU 11 22.810 24.900 24.900 80 HA LEU 11 HA LEU 11 25.318 24.404 24.404 81 1HB LEU 11 2HB LEU 11 24.456 26.289 26.289 82 2HB LEU 11 1HB LEU 11 25.117 27.177 27.177 83 HG LEU 11 HG LEU 11 26.582 24.784 24.784 84 1HD1 LEU 11 2HD1 LEU 11 26.832 27.716 27.716 85 2HD1 LEU 11 1HD1 LEU 11 27.905 26.428 26.428 86 3HD1 LEU 11 3HD1 LEU 11 26.221 26.420 26.420 87 1HD2 LEU 11 1HD2 LEU 11 27.506 27.203 27.203 88 2HD2 LEU 11 3HD2 LEU 11 27.322 25.571 25.571 89 3HD2 LEU 11 2HD2 LEU 11 28.549 25.916 25.916 90 H MET 12 H MET 12 22.335 24.802 24.802 91 HA MET 12 HA MET 12 23.025 26.081 26.081 92 1HB MET 12 2HB MET 12 21.948 27.718 27.718 93 2HB MET 12 1HB MET 12 20.476 27.123 27.123 94 1HG MET 12 2HG MET 12 21.205 27.859 27.859 95 2HG MET 12 1HG MET 12 22.751 28.341 28.341 96 1HE MET 12 2HE MET 12 18.940 28.896 28.896 97 2HE MET 12 1HE MET 12 19.232 29.400 29.400 98 3HE MET 12 3HE MET 12 18.796 30.578 30.578 99 H TYR 13 H TYR 13 22.713 24.223 24.223 100 HA TYR 13 HA TYR 13 20.275 22.592 22.592 101 1HB TYR 13 2HB TYR 13 22.517 22.312 22.312 102 2HB TYR 13 1HB TYR 13 21.376 21.067 21.067 103 HD1 TYR 13 HD1 TYR 13 24.362 22.971 22.971 104 HD2 TYR 13 HD2 TYR 13 21.632 19.911 19.911 105 HE1 TYR 13 HE1 TYR 13 25.887 22.283 22.283 106 HE2 TYR 13 HE2 TYR 13 23.161 19.226 19.226 107 HH TYR 13 HH TYR 13 26.260 20.891 20.891 108 H ASP 14 H ASP 14 19.400 24.877 24.877 109 HA ASP 14 HA ASP 14 19.177 25.958 25.958 110 1HB ASP 14 2HB ASP 14 16.973 26.907 26.907 111 2HB ASP 14 1HB ASP 14 18.522 27.326 27.326 112 H CYS 15 H CYS 15 17.584 23.245 23.245 113 HA CYS 15 HA CYS 15 15.223 23.110 23.110 114 1HB CYS 15 2HB CYS 15 16.906 20.708 20.708 115 2HB CYS 15 1HB CYS 15 15.165 20.830 20.830 116 H CYS 16 H CYS 16 14.653 22.375 22.375 117 HA CYS 16 HA CYS 16 16.286 22.679 22.679 118 1HB CYS 16 2HB CYS 16 13.809 20.967 20.967 119 2HB CYS 16 1HB CYS 16 14.417 21.703 21.703 120 H THR 17 H THR 17 15.324 19.774 19.774 121 HA THR 17 HA THR 17 17.333 18.199 18.199 122 HB THR 17 HB THR 17 15.006 17.000 17.000 123 HG1 THR 17 HG1 THR 17 15.171 18.091 18.091 124 1HG2 THR 17 2HG2 THR 17 16.547 16.104 16.104 125 2HG2 THR 17 1HG2 THR 17 15.206 15.227 15.227 126 3HG2 THR 17 3HG2 THR 17 16.724 15.366 15.366 127 H GLY 18 H GLY 18 18.100 19.827 19.827 128 1HA GLY 18 2HA GLY 18 19.220 19.906 19.906 129 2HA GLY 18 1HA GLY 18 20.062 18.537 18.537 130 H SER 19 H SER 19 16.761 18.800 18.800 131 HA SER 19 HA SER 19 16.883 16.337 16.337 132 1HB SER 19 2HB SER 19 14.860 18.033 18.033 133 2HB SER 19 1HB SER 19 14.409 17.696 17.696 134 HG SER 19 HG SER 19 14.580 16.015 16.015 135 H CYS 20 H CYS 20 17.411 19.557 19.557 136 HA CYS 20 HA CYS 20 16.524 20.290 20.290 137 1HB CYS 20 2HB CYS 20 18.283 21.501 21.501 138 2HB CYS 20 1HB CYS 20 19.463 20.350 20.350 139 H ARG 21 H ARG 21 16.260 19.549 19.549 140 HA ARG 21 HA ARG 21 18.070 17.474 17.474 141 1HB ARG 21 2HB ARG 21 15.604 16.841 16.841 142 2HB ARG 21 1HB ARG 21 15.141 17.890 17.890 143 1HG ARG 21 2HG ARG 21 16.768 16.511 16.511 144 2HG ARG 21 1HG ARG 21 16.822 15.365 15.365 145 1HD ARG 21 2HD ARG 21 14.412 14.989 14.989 146 2HD ARG 21 1HD ARG 21 14.229 16.298 16.298 147 HE ARG 21 HE ARG 21 16.106 14.367 14.367 148 1HH1 ARG 21 1HH2 ARG 21 12.731 14.881 14.881 149 2HH1 ARG 21 2HH2 ARG 21 12.230 13.806 13.806 150 1HH2 ARG 21 2HH1 ARG 21 15.498 13.000 13.000 151 2HH2 ARG 21 1HH1 ARG 21 13.819 12.725 12.725 152 H SER 22 H SER 22 19.129 19.566 19.566 153 HA SER 22 HA SER 22 19.854 21.320 21.320 154 1HB SER 22 2HB SER 22 20.131 20.628 20.628 155 2HB SER 22 1HB SER 22 20.461 19.260 19.260 156 HG SER 22 HG SER 22 17.904 19.824 19.824 157 H GLY 23 H GLY 23 17.289 21.618 21.618 158 1HA GLY 23 2HA GLY 23 16.291 23.932 23.932 159 2HA GLY 23 1HA GLY 23 15.812 22.981 22.981 160 H LYS 24 H LYS 24 15.336 20.672 20.672 161 HA LYS 24 HA LYS 24 12.728 21.705 21.705 162 1HB LYS 24 2HB LYS 24 12.567 20.308 20.308 163 2HB LYS 24 1HB LYS 24 13.069 18.934 18.934 164 1HG LYS 24 2HG LYS 24 11.104 19.646 19.646 165 2HG LYS 24 1HG LYS 24 10.553 20.615 20.615 166 1HD LYS 24 2HD LYS 24 10.808 18.374 18.374 167 2HD LYS 24 1HD LYS 24 10.820 17.599 17.599 168 1HE LYS 24 2HE LYS 24 8.612 19.395 19.395 169 2HE LYS 24 1HE LYS 24 8.520 17.655 17.655 170 1HZ LYS 24 3HZ LYS 24 9.138 18.276 18.276 171 2HZ LYS 24 2HZ LYS 24 8.488 19.784 19.784 172 3HZ LYS 24 1HZ LYS 24 7.533 18.384 18.384 173 H CYS 25 H CYS 25 12.771 21.513 21.513 174 HA CYS 25 HA CYS 25 14.689 19.867 19.867 175 1HB CYS 25 2HB CYS 25 12.223 21.362 21.362 176 2HB CYS 25 1HB CYS 25 13.140 20.436 20.436 177 1HN NH2 26 1HT CYS 25 14.468 17.683 17.683 178 2HN NH2 26 2HT CYS 25 13.158 16.704 16.704 Start of MODEL 11 1 1H CYS 1 2H CYS 1 14.709 28.651 28.651 2 2H CYS 1 1H CYS 1 13.895 27.565 27.565 3 3H CYS 1 3H CYS 1 15.555 27.849 27.849 4 HA CYS 1 HA CYS 1 16.045 26.845 26.845 5 1HB CYS 1 2HB CYS 1 15.871 24.668 24.668 6 2HB CYS 1 1HB CYS 1 15.519 25.494 25.494 7 H LYS 2 H LYS 2 14.700 24.759 24.759 8 HA LYS 2 HA LYS 2 12.236 25.916 25.916 9 1HB LYS 2 2HB LYS 2 14.791 25.018 25.018 10 2HB LYS 2 1HB LYS 2 13.305 24.627 24.627 11 1HG LYS 2 2HG LYS 2 12.637 27.090 27.090 12 2HG LYS 2 1HG LYS 2 14.252 27.393 27.393 13 1HD LYS 2 2HD LYS 2 15.238 27.184 27.184 14 2HD LYS 2 1HD LYS 2 14.143 25.931 25.931 15 1HE LYS 2 2HE LYS 2 12.731 27.464 27.464 16 2HE LYS 2 1HE LYS 2 12.862 28.597 28.597 17 1HZ LYS 2 1HZ LYS 2 15.144 28.180 28.180 18 2HZ LYS 2 3HZ LYS 2 13.865 29.192 29.192 19 3HZ LYS 2 2HZ LYS 2 14.748 29.534 29.534 20 H GLY 3 H GLY 3 10.629 24.621 24.621 21 1HA GLY 3 2HA GLY 3 10.648 21.970 21.970 22 2HA GLY 3 1HA GLY 3 9.256 22.769 22.769 23 H LYS 4 H LYS 4 9.929 20.049 20.049 24 HA LYS 4 HA LYS 4 11.260 19.486 19.486 25 1HB LYS 4 2HB LYS 4 9.252 17.924 17.924 26 2HB LYS 4 1HB LYS 4 9.974 17.264 17.264 27 1HG LYS 4 2HG LYS 4 11.629 16.519 16.519 28 2HG LYS 4 1HG LYS 4 12.245 18.147 18.147 29 1HD LYS 4 2HD LYS 4 12.162 18.066 18.066 30 2HD LYS 4 1HD LYS 4 10.501 18.557 18.557 31 1HE LYS 4 2HE LYS 4 11.361 15.635 15.635 32 2HE LYS 4 1HE LYS 4 10.797 16.567 16.567 33 1HZ LYS 4 2HZ LYS 4 9.262 16.084 16.084 34 2HZ LYS 4 1HZ LYS 4 9.026 15.290 15.290 35 3HZ LYS 4 3HZ LYS 4 8.720 16.956 16.956 36 H GLY 5 H GLY 5 10.563 20.765 20.765 37 1HA GLY 5 2HA GLY 5 9.046 20.297 20.297 38 2HA GLY 5 1HA GLY 5 7.735 20.715 20.715 39 H ALA 6 H ALA 6 10.711 22.257 22.257 40 HA ALA 6 HA ALA 6 9.631 24.874 24.874 41 1HB ALA 6 3HB ALA 6 11.983 24.126 24.126 42 2HB ALA 6 2HB ALA 6 11.478 25.780 25.780 43 3HB ALA 6 1HB ALA 6 10.424 24.699 24.699 44 H LYS 7 H LYS 7 11.010 26.365 26.365 45 HA LYS 7 HA LYS 7 12.461 25.131 25.131 46 1HB LYS 7 2HB LYS 7 11.014 27.145 27.145 47 2HB LYS 7 1HB LYS 7 12.087 28.061 28.061 48 1HG LYS 7 2HG LYS 7 13.789 26.933 26.933 49 2HG LYS 7 1HG LYS 7 12.344 27.388 27.388 50 1HD LYS 7 2HD LYS 7 13.751 29.300 29.300 51 2HD LYS 7 1HD LYS 7 14.203 29.177 29.177 52 1HE LYS 7 2HE LYS 7 11.366 29.804 29.804 53 2HE LYS 7 1HE LYS 7 12.535 31.017 31.017 54 1HZ LYS 7 1HZ LYS 7 12.707 29.714 29.714 55 2HZ LYS 7 3HZ LYS 7 11.306 28.895 28.895 56 3HZ LYS 7 2HZ LYS 7 11.265 30.575 30.575 57 H CYS 8 H CYS 8 14.123 24.082 24.082 58 HA CYS 8 HA CYS 8 16.060 25.651 25.651 59 1HB CYS 8 2HB CYS 8 17.026 23.653 23.653 60 2HB CYS 8 1HB CYS 8 15.360 23.227 23.227 61 H SER 9 H SER 9 18.464 24.344 24.344 62 HA SER 9 HA SER 9 18.799 24.840 24.840 63 1HB SER 9 2HB SER 9 20.779 26.541 26.541 64 2HB SER 9 1HB SER 9 19.846 26.919 26.919 65 HG SER 9 HG SER 9 18.076 27.360 27.360 66 H ARG 10 H ARG 10 20.827 24.122 24.122 67 HA ARG 10 HA ARG 10 21.884 21.837 21.837 68 1HB ARG 10 2HB ARG 10 22.974 23.630 23.630 69 2HB ARG 10 1HB ARG 10 23.870 22.225 22.225 70 1HG ARG 10 2HG ARG 10 21.925 20.777 20.777 71 2HG ARG 10 1HG ARG 10 21.023 22.180 22.180 72 1HD ARG 10 2HD ARG 10 21.900 21.220 21.220 73 2HD ARG 10 1HD ARG 10 23.020 22.542 22.542 74 HE ARG 10 HE ARG 10 24.157 20.423 20.423 75 1HH1 ARG 10 2HH1 ARG 10 23.005 20.909 20.909 76 2HH1 ARG 10 1HH1 ARG 10 24.135 19.792 19.792 77 1HH2 ARG 10 1HH2 ARG 10 25.599 19.012 19.012 78 2HH2 ARG 10 2HH2 ARG 10 25.625 18.704 18.704 79 H LEU 11 H LEU 11 22.920 25.145 25.145 80 HA LEU 11 HA LEU 11 25.199 24.558 24.558 81 1HB LEU 11 2HB LEU 11 25.133 26.164 26.164 82 2HB LEU 11 1HB LEU 11 24.549 27.330 27.330 83 HG LEU 11 HG LEU 11 26.644 26.598 26.598 84 1HD1 LEU 11 2HD1 LEU 11 27.212 24.610 24.610 85 2HD1 LEU 11 1HD1 LEU 11 27.529 25.685 25.685 86 3HD1 LEU 11 3HD1 LEU 11 28.539 25.753 25.753 87 1HD2 LEU 11 1HD2 LEU 11 26.968 28.163 28.163 88 2HD2 LEU 11 3HD2 LEU 11 26.430 28.822 28.822 89 3HD2 LEU 11 2HD2 LEU 11 28.074 28.232 28.232 90 H MET 12 H MET 12 22.224 24.662 24.662 91 HA MET 12 HA MET 12 22.616 26.031 26.031 92 1HB MET 12 2HB MET 12 20.517 26.898 26.898 93 2HB MET 12 1HB MET 12 20.308 27.182 27.182 94 1HG MET 12 2HG MET 12 22.772 28.199 28.199 95 2HG MET 12 1HG MET 12 22.231 28.454 28.454 96 1HE MET 12 2HE MET 12 19.461 29.342 29.342 97 2HE MET 12 1HE MET 12 19.507 31.053 31.053 98 3HE MET 12 3HE MET 12 20.760 30.368 30.368 99 H TYR 13 H TYR 13 22.435 24.193 24.193 100 HA TYR 13 HA TYR 13 20.073 22.414 22.414 101 1HB TYR 13 2HB TYR 13 22.560 22.262 22.262 102 2HB TYR 13 1HB TYR 13 21.315 21.019 21.019 103 HD1 TYR 13 HD2 TYR 13 24.001 22.678 22.678 104 HD2 TYR 13 HD1 TYR 13 21.100 19.557 19.557 105 HE1 TYR 13 HE2 TYR 13 25.065 21.707 21.707 106 HE2 TYR 13 HE1 TYR 13 22.166 18.591 18.591 107 HH TYR 13 HH TYR 13 24.980 20.127 20.127 108 H ASP 14 H ASP 14 19.344 24.775 24.775 109 HA ASP 14 HA ASP 14 19.132 25.875 25.875 110 1HB ASP 14 2HB ASP 14 16.920 26.845 26.845 111 2HB ASP 14 1HB ASP 14 18.486 27.269 27.269 112 H CYS 15 H CYS 15 17.531 23.151 23.151 113 HA CYS 15 HA CYS 15 15.170 23.157 23.157 114 1HB CYS 15 2HB CYS 15 16.617 20.619 20.619 115 2HB CYS 15 1HB CYS 15 14.911 20.951 20.951 116 H CYS 16 H CYS 16 14.649 22.298 22.298 117 HA CYS 16 HA CYS 16 16.455 22.637 22.637 118 1HB CYS 16 2HB CYS 16 13.854 21.249 21.249 119 2HB CYS 16 1HB CYS 16 14.732 20.886 20.886 120 H THR 17 H THR 17 15.676 19.740 19.740 121 HA THR 17 HA THR 17 17.886 18.312 18.312 122 HB THR 17 HB THR 17 15.591 17.382 17.382 123 HG1 THR 17 HG1 THR 17 16.153 15.263 15.263 124 1HG2 THR 17 1HG2 THR 17 15.540 16.727 16.727 125 2HG2 THR 17 3HG2 THR 17 14.368 16.191 16.191 126 3HG2 THR 17 2HG2 THR 17 14.487 17.892 17.892 127 H GLY 18 H GLY 18 18.474 19.861 19.861 128 1HA GLY 18 2HA GLY 18 19.508 19.835 19.835 129 2HA GLY 18 1HA GLY 18 20.298 18.413 18.413 130 H SER 19 H SER 19 16.993 18.949 18.949 131 HA SER 19 HA SER 19 16.646 16.485 16.485 132 1HB SER 19 2HB SER 19 15.068 18.374 18.374 133 2HB SER 19 1HB SER 19 14.348 18.258 18.258 134 HG SER 19 HG SER 19 13.831 16.589 16.589 135 H CYS 20 H CYS 20 17.544 19.571 19.571 136 HA CYS 20 HA CYS 20 16.399 20.221 20.221 137 1HB CYS 20 2HB CYS 20 18.158 21.558 21.558 138 2HB CYS 20 1HB CYS 20 19.354 20.398 20.398 139 H ARG 21 H ARG 21 16.223 19.465 19.465 140 HA ARG 21 HA ARG 21 18.022 17.281 17.281 141 1HB ARG 21 2HB ARG 21 15.040 17.704 17.704 142 2HB ARG 21 1HB ARG 21 16.030 16.511 16.511 143 1HG ARG 21 2HG ARG 21 16.063 15.083 15.083 144 2HG ARG 21 1HG ARG 21 16.240 16.355 16.355 145 1HD ARG 21 2HD ARG 21 14.030 15.093 15.093 146 2HD ARG 21 1HD ARG 21 13.849 16.829 16.829 147 HE ARG 21 HE ARG 21 13.793 15.009 15.009 148 1HH1 ARG 21 1HH2 ARG 21 12.260 17.456 17.456 149 2HH1 ARG 21 2HH2 ARG 21 10.993 17.697 17.697 150 1HH2 ARG 21 2HH1 ARG 21 12.198 15.327 15.327 151 2HH2 ARG 21 1HH1 ARG 21 10.951 16.490 16.490 152 H SER 22 H SER 22 19.182 19.221 19.221 153 HA SER 22 HA SER 22 20.038 20.791 20.791 154 1HB SER 22 2HB SER 22 18.698 18.875 18.875 155 2HB SER 22 1HB SER 22 19.958 20.041 20.041 156 HG SER 22 HG SER 22 20.168 18.093 18.093 157 H GLY 23 H GLY 23 17.417 21.310 21.310 158 1HA GLY 23 2HA GLY 23 16.687 23.740 23.740 159 2HA GLY 23 1HA GLY 23 16.143 22.902 22.902 160 H LYS 24 H LYS 24 15.436 20.593 20.593 161 HA LYS 24 HA LYS 24 12.853 21.792 21.792 162 1HB LYS 24 2HB LYS 24 12.825 20.277 20.277 163 2HB LYS 24 1HB LYS 24 13.112 18.949 18.949 164 1HG LYS 24 2HG LYS 24 10.744 19.054 19.054 165 2HG LYS 24 1HG LYS 24 11.047 19.731 19.731 166 1HD LYS 24 2HD LYS 24 11.167 21.797 21.797 167 2HD LYS 24 1HD LYS 24 9.640 20.945 20.945 168 1HE LYS 24 2HE LYS 24 8.937 21.879 21.879 169 2HE LYS 24 1HE LYS 24 10.504 21.705 21.705 170 1HZ LYS 24 2HZ LYS 24 9.883 23.749 23.749 171 2HZ LYS 24 1HZ LYS 24 9.865 24.017 24.017 172 3HZ LYS 24 3HZ LYS 24 11.314 23.599 23.599 173 H CYS 25 H CYS 25 12.802 21.703 21.703 174 HA CYS 25 HA CYS 25 14.562 19.904 19.904 175 1HB CYS 25 2HB CYS 25 12.324 21.769 21.769 176 2HB CYS 25 1HB CYS 25 13.046 20.720 20.720 177 1HN NH2 26 1HT CYS 25 14.121 17.889 17.889 178 2HN NH2 26 2HT CYS 25 12.663 17.045 17.045 Start of MODEL 12 1 1H CYS 1 1H CYS 1 14.043 27.659 27.659 2 2H CYS 1 3H CYS 1 15.681 28.094 28.094 3 3H CYS 1 2H CYS 1 14.677 28.830 28.830 4 HA CYS 1 HA CYS 1 16.057 27.209 27.209 5 1HB CYS 1 2HB CYS 1 15.829 24.832 24.832 6 2HB CYS 1 1HB CYS 1 16.515 25.811 25.811 7 H LYS 2 H LYS 2 14.981 25.073 25.073 8 HA LYS 2 HA LYS 2 12.293 25.978 25.978 9 1HB LYS 2 2HB LYS 2 14.725 24.929 24.929 10 2HB LYS 2 1HB LYS 2 13.180 24.463 24.463 11 1HG LYS 2 2HG LYS 2 13.811 26.465 26.465 12 2HG LYS 2 1HG LYS 2 12.522 26.912 26.912 13 1HD LYS 2 2HD LYS 2 15.150 27.181 27.181 14 2HD LYS 2 1HD LYS 2 15.118 28.057 28.057 15 1HE LYS 2 2HE LYS 2 12.780 28.395 28.395 16 2HE LYS 2 1HE LYS 2 14.282 29.242 29.242 17 1HZ LYS 2 3HZ LYS 2 14.215 30.159 30.159 18 2HZ LYS 2 2HZ LYS 2 12.750 29.355 29.355 19 3HZ LYS 2 1HZ LYS 2 12.825 30.571 30.571 20 H GLY 3 H GLY 3 10.658 24.711 24.711 21 1HA GLY 3 2HA GLY 3 10.831 22.109 22.109 22 2HA GLY 3 1HA GLY 3 9.356 22.923 22.923 23 H LYS 4 H LYS 4 9.101 20.475 20.475 24 HA LYS 4 HA LYS 4 10.349 19.231 19.231 25 1HB LYS 4 2HB LYS 4 8.543 17.662 17.662 26 2HB LYS 4 1HB LYS 4 8.785 18.179 18.179 27 1HG LYS 4 2HG LYS 4 6.588 19.230 19.230 28 2HG LYS 4 1HG LYS 4 6.380 18.021 18.021 29 1HD LYS 4 2HD LYS 4 7.271 19.782 19.782 30 2HD LYS 4 1HD LYS 4 7.050 20.958 20.958 31 1HE LYS 4 2HE LYS 4 5.002 21.042 21.042 32 2HE LYS 4 1HE LYS 4 4.619 20.017 20.017 33 1HZ LYS 4 1HZ LYS 4 5.231 18.102 18.102 34 2HZ LYS 4 3HZ LYS 4 5.204 19.206 19.206 35 3HZ LYS 4 2HZ LYS 4 3.796 18.925 18.925 36 H GLY 5 H GLY 5 10.112 19.179 19.179 37 1HA GLY 5 2HA GLY 5 9.567 19.772 19.772 38 2HA GLY 5 1HA GLY 5 7.938 20.078 20.078 39 H ALA 6 H ALA 6 10.368 21.884 21.884 40 HA ALA 6 HA ALA 6 9.351 24.367 24.367 41 1HB ALA 6 1HB ALA 6 11.432 23.891 23.891 42 2HB ALA 6 3HB ALA 6 10.803 25.468 25.468 43 3HB ALA 6 2HB ALA 6 9.740 24.273 24.273 44 H LYS 7 H LYS 7 10.633 25.919 25.919 45 HA LYS 7 HA LYS 7 12.487 25.004 25.004 46 1HB LYS 7 2HB LYS 7 11.839 27.810 27.810 47 2HB LYS 7 1HB LYS 7 12.841 27.482 27.482 48 1HG LYS 7 2HG LYS 7 10.670 25.936 25.936 49 2HG LYS 7 1HG LYS 7 9.879 27.145 27.145 50 1HD LYS 7 2HD LYS 7 10.818 28.947 28.947 51 2HD LYS 7 1HD LYS 7 11.660 27.752 27.752 52 1HE LYS 7 2HE LYS 7 9.430 26.718 26.718 53 2HE LYS 7 1HE LYS 7 8.640 28.024 28.024 54 1HZ LYS 7 2HZ LYS 7 9.993 29.541 29.541 55 2HZ LYS 7 1HZ LYS 7 10.240 28.166 28.166 56 3HZ LYS 7 3HZ LYS 7 8.664 28.730 28.730 57 H CYS 8 H CYS 8 14.147 23.979 23.979 58 HA CYS 8 HA CYS 8 15.858 25.218 25.218 59 1HB CYS 8 2HB CYS 8 16.757 23.153 23.153 60 2HB CYS 8 1HB CYS 8 15.100 22.815 22.815 61 H SER 9 H SER 9 18.263 24.319 24.319 62 HA SER 9 HA SER 9 19.256 24.865 24.865 63 1HB SER 9 2HB SER 9 20.845 26.622 26.622 64 2HB SER 9 1HB SER 9 19.872 27.023 27.023 65 HG SER 9 HG SER 9 18.809 26.684 26.684 66 H ARG 10 H ARG 10 20.825 23.620 23.620 67 HA ARG 10 HA ARG 10 22.007 22.037 22.037 68 1HB ARG 10 2HB ARG 10 22.470 22.164 22.164 69 2HB ARG 10 1HB ARG 10 23.451 21.138 21.138 70 1HG ARG 10 2HG ARG 10 21.356 20.037 20.037 71 2HG ARG 10 1HG ARG 10 20.415 21.014 21.014 72 1HD ARG 10 2HD ARG 10 21.512 19.993 19.993 73 2HD ARG 10 1HD ARG 10 22.657 19.144 19.144 74 HE ARG 10 HE ARG 10 20.135 18.346 18.346 75 1HH1 ARG 10 2HH1 ARG 10 21.919 18.284 18.284 76 2HH1 ARG 10 1HH1 ARG 10 21.151 16.838 16.838 77 1HH2 ARG 10 1HH2 ARG 10 19.145 16.519 16.519 78 2HH2 ARG 10 2HH2 ARG 10 19.556 15.823 15.823 79 H LEU 11 H LEU 11 22.695 24.962 24.962 80 HA LEU 11 HA LEU 11 25.578 25.003 25.003 81 1HB LEU 11 2HB LEU 11 23.478 27.098 27.098 82 2HB LEU 11 1HB LEU 11 25.130 27.565 27.565 83 HG LEU 11 HG LEU 11 25.890 25.923 25.923 84 1HD1 LEU 11 1HD1 LEU 11 22.874 25.785 25.785 85 2HD1 LEU 11 3HD1 LEU 11 23.978 25.493 25.493 86 3HD1 LEU 11 2HD1 LEU 11 24.025 24.461 24.461 87 1HD2 LEU 11 3HD2 LEU 11 25.740 28.383 28.383 88 2HD2 LEU 11 2HD2 LEU 11 25.335 27.500 27.500 89 3HD2 LEU 11 1HD2 LEU 11 24.061 28.212 28.212 90 H MET 12 H MET 12 22.835 25.358 25.358 91 HA MET 12 HA MET 12 24.421 25.866 25.866 92 1HB MET 12 2HB MET 12 23.099 28.051 28.051 93 2HB MET 12 1HB MET 12 24.362 28.181 28.181 94 1HG MET 12 2HG MET 12 22.740 28.028 28.028 95 2HG MET 12 1HG MET 12 21.454 27.683 27.683 96 1HE MET 12 2HE MET 12 24.157 30.218 30.218 97 2HE MET 12 1HE MET 12 22.932 30.252 30.252 98 3HE MET 12 3HE MET 12 23.204 31.663 31.663 99 H TYR 13 H TYR 13 22.964 23.795 23.795 100 HA TYR 13 HA TYR 13 20.630 22.894 22.894 101 1HB TYR 13 2HB TYR 13 22.628 22.444 22.444 102 2HB TYR 13 1HB TYR 13 21.228 21.413 21.413 103 HD1 TYR 13 HD1 TYR 13 21.027 20.166 20.166 104 HD2 TYR 13 HD2 TYR 13 24.546 22.358 22.358 105 HE1 TYR 13 HE1 TYR 13 22.246 18.984 18.984 106 HE2 TYR 13 HE2 TYR 13 25.764 21.176 21.176 107 HH TYR 13 HH TYR 13 25.681 19.635 19.635 108 H ASP 14 H ASP 14 19.654 24.942 24.942 109 HA ASP 14 HA ASP 14 18.898 26.342 26.342 110 1HB ASP 14 2HB ASP 14 17.863 25.907 25.907 111 2HB ASP 14 1HB ASP 14 16.623 26.427 26.427 112 H CYS 15 H CYS 15 17.779 23.267 23.267 113 HA CYS 15 HA CYS 15 15.378 23.048 23.048 114 1HB CYS 15 2HB CYS 15 17.321 20.847 20.847 115 2HB CYS 15 1HB CYS 15 15.622 20.667 20.667 116 H CYS 16 H CYS 16 14.909 22.424 22.424 117 HA CYS 16 HA CYS 16 16.599 22.950 22.950 118 1HB CYS 16 2HB CYS 16 14.204 21.109 21.109 119 2HB CYS 16 1HB CYS 16 14.836 21.934 21.934 120 H THR 17 H THR 17 15.739 19.901 19.901 121 HA THR 17 HA THR 17 17.939 18.559 18.559 122 HB THR 17 HB THR 17 15.489 17.148 17.148 123 HG1 THR 17 HG1 THR 17 14.490 17.605 17.605 124 1HG2 THR 17 1HG2 THR 17 17.417 16.458 16.458 125 2HG2 THR 17 3HG2 THR 17 16.011 15.506 15.506 126 3HG2 THR 17 2HG2 THR 17 17.371 15.614 15.614 127 H GLY 18 H GLY 18 18.436 20.015 20.015 128 1HA GLY 18 2HA GLY 18 19.367 19.946 19.946 129 2HA GLY 18 1HA GLY 18 20.297 18.646 18.646 130 H SER 19 H SER 19 16.906 18.796 18.796 131 HA SER 19 HA SER 19 16.936 16.214 16.214 132 1HB SER 19 2HB SER 19 14.991 18.015 18.015 133 2HB SER 19 1HB SER 19 14.436 17.493 17.493 134 HG SER 19 HG SER 19 14.757 15.372 15.372 135 H CYS 20 H CYS 20 17.438 19.323 19.323 136 HA CYS 20 HA CYS 20 16.399 20.000 20.000 137 1HB CYS 20 2HB CYS 20 18.449 20.947 20.947 138 2HB CYS 20 1HB CYS 20 19.403 19.882 19.882 139 H ARG 21 H ARG 21 15.895 19.208 19.208 140 HA ARG 21 HA ARG 21 17.526 17.057 17.057 141 1HB ARG 21 2HB ARG 21 14.492 17.497 17.497 142 2HB ARG 21 1HB ARG 21 15.413 16.276 16.276 143 1HG ARG 21 2HG ARG 21 16.217 15.650 15.650 144 2HG ARG 21 1HG ARG 21 14.689 16.402 16.402 145 1HD ARG 21 2HD ARG 21 14.982 14.148 14.148 146 2HD ARG 21 1HD ARG 21 14.468 13.936 13.936 147 HE ARG 21 HE ARG 21 12.805 15.919 15.919 148 1HH1 ARG 21 1HH2 ARG 21 13.532 12.545 12.545 149 2HH1 ARG 21 2HH2 ARG 21 11.949 12.139 12.139 150 1HH2 ARG 21 2HH1 ARG 21 10.788 15.425 15.425 151 2HH2 ARG 21 1HH1 ARG 21 10.371 13.793 13.793 152 H SER 22 H SER 22 18.593 19.036 19.036 153 HA SER 22 HA SER 22 19.258 20.667 20.667 154 1HB SER 22 2HB SER 22 18.665 18.386 18.386 155 2HB SER 22 1HB SER 22 17.589 19.533 19.533 156 HG SER 22 HG SER 22 19.442 20.980 20.980 157 H GLY 23 H GLY 23 16.735 21.064 21.064 158 1HA GLY 23 2HA GLY 23 15.954 23.556 23.556 159 2HA GLY 23 1HA GLY 23 15.253 22.896 22.896 160 H LYS 24 H LYS 24 14.789 20.360 20.360 161 HA LYS 24 HA LYS 24 12.319 21.497 21.497 162 1HB LYS 24 2HB LYS 24 12.650 18.946 18.946 163 2HB LYS 24 1HB LYS 24 11.283 19.174 19.174 164 1HG LYS 24 2HG LYS 24 12.006 21.197 21.197 165 2HG LYS 24 1HG LYS 24 10.932 19.849 19.849 166 1HD LYS 24 2HD LYS 24 9.250 20.644 20.644 167 2HD LYS 24 1HD LYS 24 10.343 21.658 21.658 168 1HE LYS 24 2HE LYS 24 9.659 22.190 22.190 169 2HE LYS 24 1HE LYS 24 8.817 22.933 22.933 170 1HZ LYS 24 3HZ LYS 24 11.019 23.737 23.737 171 2HZ LYS 24 2HZ LYS 24 11.676 23.205 23.205 172 3HZ LYS 24 1HZ LYS 24 10.484 24.415 24.415 173 H CYS 25 H CYS 25 12.429 21.229 21.229 174 HA CYS 25 HA CYS 25 14.467 19.621 19.621 175 1HB CYS 25 2HB CYS 25 12.047 21.071 21.071 176 2HB CYS 25 1HB CYS 25 13.095 20.218 20.218 177 1HN NH2 26 1HT CYS 25 14.110 17.448 17.448 178 2HN NH2 26 2HT CYS 25 12.914 16.446 16.446 Start of MODEL 13 1 1H CYS 1 2H CYS 1 13.953 27.487 27.487 2 2H CYS 1 1H CYS 1 15.603 27.781 27.781 3 3H CYS 1 3H CYS 1 14.771 28.671 28.671 4 HA CYS 1 HA CYS 1 16.112 27.036 27.036 5 1HB CYS 1 2HB CYS 1 15.630 24.625 24.625 6 2HB CYS 1 1HB CYS 1 16.370 25.462 25.462 7 H LYS 2 H LYS 2 15.015 25.090 25.090 8 HA LYS 2 HA LYS 2 12.479 26.273 26.273 9 1HB LYS 2 2HB LYS 2 14.877 25.009 25.009 10 2HB LYS 2 1HB LYS 2 13.340 24.724 24.724 11 1HG LYS 2 2HG LYS 2 13.948 27.557 27.557 12 2HG LYS 2 1HG LYS 2 14.872 26.906 26.906 13 1HD LYS 2 2HD LYS 2 12.826 26.375 26.375 14 2HD LYS 2 1HD LYS 2 11.838 26.845 26.845 15 1HE LYS 2 2HE LYS 2 11.832 28.718 28.718 16 2HE LYS 2 1HE LYS 2 12.868 29.183 29.183 17 1HZ LYS 2 1HZ LYS 2 14.553 27.934 27.934 18 2HZ LYS 2 3HZ LYS 2 13.509 28.792 28.792 19 3HZ LYS 2 2HZ LYS 2 14.373 29.612 29.612 20 H GLY 3 H GLY 3 10.755 25.099 25.099 21 1HA GLY 3 2HA GLY 3 10.317 22.665 22.665 22 2HA GLY 3 1HA GLY 3 9.158 23.443 23.443 23 H LYS 4 H LYS 4 9.449 20.681 20.681 24 HA LYS 4 HA LYS 4 11.127 19.644 19.644 25 1HB LYS 4 2HB LYS 4 8.769 18.499 18.499 26 2HB LYS 4 1HB LYS 4 9.568 17.573 17.573 27 1HG LYS 4 2HG LYS 4 11.063 18.796 18.796 28 2HG LYS 4 1HG LYS 4 10.403 17.178 17.178 29 1HD LYS 4 2HD LYS 4 12.342 18.051 18.051 30 2HD LYS 4 1HD LYS 4 12.893 17.422 17.422 31 1HE LYS 4 2HE LYS 4 12.426 15.277 15.277 32 2HE LYS 4 1HE LYS 4 10.816 15.676 15.676 33 1HZ LYS 4 2HZ LYS 4 12.672 16.733 16.733 34 2HZ LYS 4 1HZ LYS 4 13.096 15.122 15.122 35 3HZ LYS 4 3HZ LYS 4 11.537 15.495 15.495 36 H GLY 5 H GLY 5 10.883 20.114 20.114 37 1HA GLY 5 2HA GLY 5 9.796 19.726 19.726 38 2HA GLY 5 1HA GLY 5 8.226 19.971 19.971 39 H ALA 6 H ALA 6 10.703 22.066 22.066 40 HA ALA 6 HA ALA 6 9.439 24.354 24.354 41 1HB ALA 6 1HB ALA 6 9.826 24.345 24.345 42 2HB ALA 6 3HB ALA 6 11.552 24.387 24.387 43 3HB ALA 6 2HB ALA 6 10.524 25.720 25.720 44 H LYS 7 H LYS 7 10.858 26.039 26.039 45 HA LYS 7 HA LYS 7 12.680 25.020 25.020 46 1HB LYS 7 2HB LYS 7 12.011 27.819 27.819 47 2HB LYS 7 1HB LYS 7 13.234 27.558 27.558 48 1HG LYS 7 2HG LYS 7 11.414 26.139 26.139 49 2HG LYS 7 1HG LYS 7 10.273 26.901 26.901 50 1HD LYS 7 2HD LYS 7 10.948 29.134 29.134 51 2HD LYS 7 1HD LYS 7 12.203 28.437 28.437 52 1HE LYS 7 2HE LYS 7 9.228 27.847 27.847 53 2HE LYS 7 1HE LYS 7 10.126 29.004 29.004 54 1HZ LYS 7 3HZ LYS 7 11.621 27.158 27.158 55 2HZ LYS 7 2HZ LYS 7 10.570 26.085 26.085 56 3HZ LYS 7 1HZ LYS 7 10.022 26.975 26.975 57 H CYS 8 H CYS 8 14.470 24.059 24.059 58 HA CYS 8 HA CYS 8 16.198 25.278 25.278 59 1HB CYS 8 2HB CYS 8 16.984 23.214 23.214 60 2HB CYS 8 1HB CYS 8 15.370 22.839 22.839 61 H SER 9 H SER 9 18.610 24.101 24.101 62 HA SER 9 HA SER 9 19.269 24.786 24.786 63 1HB SER 9 2HB SER 9 21.172 26.413 26.413 64 2HB SER 9 1HB SER 9 19.883 26.984 26.984 65 HG SER 9 HG SER 9 19.739 27.805 27.805 66 H ARG 10 H ARG 10 21.114 23.849 23.849 67 HA ARG 10 HA ARG 10 22.210 21.712 21.712 68 1HB ARG 10 2HB ARG 10 23.258 23.071 23.071 69 2HB ARG 10 1HB ARG 10 23.979 21.630 21.630 70 1HG ARG 10 2HG ARG 10 21.571 20.618 20.618 71 2HG ARG 10 1HG ARG 10 21.223 21.963 21.963 72 1HD ARG 10 2HD ARG 10 23.722 20.458 20.458 73 2HD ARG 10 1HD ARG 10 22.229 19.541 19.541 74 HE ARG 10 HE ARG 10 21.904 22.124 22.124 75 1HH1 ARG 10 2HH1 ARG 10 23.450 19.056 19.056 76 2HH1 ARG 10 1HH1 ARG 10 23.447 19.159 19.159 77 1HH2 ARG 10 1HH2 ARG 10 21.894 22.286 22.286 78 2HH2 ARG 10 2HH2 ARG 10 22.556 21.019 21.019 79 H LEU 11 H LEU 11 23.037 25.001 25.001 80 HA LEU 11 HA LEU 11 25.610 24.758 24.758 81 1HB LEU 11 2HB LEU 11 24.674 26.422 26.422 82 2HB LEU 11 1HB LEU 11 24.842 27.501 27.501 83 HG LEU 11 HG LEU 11 27.047 25.586 25.586 84 1HD1 LEU 11 3HD1 LEU 11 26.685 28.547 28.547 85 2HD1 LEU 11 2HD1 LEU 11 28.099 27.584 27.584 86 3HD1 LEU 11 1HD1 LEU 11 26.555 27.225 27.225 87 1HD2 LEU 11 3HD2 LEU 11 26.959 27.960 27.960 88 2HD2 LEU 11 2HD2 LEU 11 27.349 26.293 26.293 89 3HD2 LEU 11 1HD2 LEU 11 28.457 27.246 27.246 90 H MET 12 H MET 12 22.414 25.276 25.276 91 HA MET 12 HA MET 12 23.081 26.278 26.278 92 1HB MET 12 2HB MET 12 21.697 27.836 27.836 93 2HB MET 12 1HB MET 12 20.711 27.704 27.704 94 1HG MET 12 2HG MET 12 23.617 28.499 28.499 95 2HG MET 12 1HG MET 12 22.383 29.654 29.654 96 1HE MET 12 2HE MET 12 24.381 27.911 27.911 97 2HE MET 12 1HE MET 12 23.715 28.228 28.228 98 3HE MET 12 3HE MET 12 23.057 26.902 26.902 99 H TYR 13 H TYR 13 22.656 24.346 24.346 100 HA TYR 13 HA TYR 13 20.108 22.939 22.939 101 1HB TYR 13 2HB TYR 13 22.683 22.416 22.416 102 2HB TYR 13 1HB TYR 13 21.261 21.562 21.562 103 HD1 TYR 13 HD1 TYR 13 22.780 22.375 22.375 104 HD2 TYR 13 HD2 TYR 13 21.025 19.436 19.436 105 HE1 TYR 13 HE1 TYR 13 23.041 20.681 20.681 106 HE2 TYR 13 HE2 TYR 13 21.289 17.757 17.757 107 HH TYR 13 HH TYR 13 22.719 18.585 18.585 108 H ASP 14 H ASP 14 19.268 25.194 25.194 109 HA ASP 14 HA ASP 14 19.126 26.068 26.068 110 1HB ASP 14 2HB ASP 14 18.368 27.193 27.193 111 2HB ASP 14 1HB ASP 14 16.906 26.280 26.280 112 H CYS 15 H CYS 15 17.514 23.457 23.457 113 HA CYS 15 HA CYS 15 15.183 23.077 23.077 114 1HB CYS 15 2HB CYS 15 17.054 20.803 20.803 115 2HB CYS 15 1HB CYS 15 15.313 20.806 20.806 116 H CYS 16 H CYS 16 14.592 22.457 22.457 117 HA CYS 16 HA CYS 16 16.177 22.694 22.694 118 1HB CYS 16 2HB CYS 16 13.677 21.047 21.047 119 2HB CYS 16 1HB CYS 16 14.275 21.626 21.626 120 H THR 17 H THR 17 15.312 19.859 19.859 121 HA THR 17 HA THR 17 17.253 18.228 18.228 122 HB THR 17 HB THR 17 14.920 17.119 17.119 123 HG1 THR 17 HG1 THR 17 14.327 18.631 18.631 124 1HG2 THR 17 2HG2 THR 17 16.480 16.058 16.058 125 2HG2 THR 17 1HG2 THR 17 15.101 15.254 15.254 126 3HG2 THR 17 3HG2 THR 17 16.605 15.395 15.395 127 H GLY 18 H GLY 18 18.073 19.888 19.888 128 1HA GLY 18 2HA GLY 18 19.210 19.983 19.983 129 2HA GLY 18 1HA GLY 18 20.092 18.665 18.665 130 H SER 19 H SER 19 16.819 18.743 18.743 131 HA SER 19 HA SER 19 17.075 16.265 16.265 132 1HB SER 19 2HB SER 19 14.975 17.931 17.931 133 2HB SER 19 1HB SER 19 14.561 17.418 17.418 134 HG SER 19 HG SER 19 14.347 15.951 15.951 135 H CYS 20 H CYS 20 17.485 19.440 19.440 136 HA CYS 20 HA CYS 20 16.583 20.187 20.187 137 1HB CYS 20 2HB CYS 20 18.541 21.169 21.169 138 2HB CYS 20 1HB CYS 20 19.552 19.995 19.995 139 H ARG 21 H ARG 21 16.118 19.441 19.441 140 HA ARG 21 HA ARG 21 17.744 17.291 17.291 141 1HB ARG 21 2HB ARG 21 15.337 16.719 16.719 142 2HB ARG 21 1HB ARG 21 14.778 17.776 17.776 143 1HG ARG 21 2HG ARG 21 15.923 16.386 16.386 144 2HG ARG 21 1HG ARG 21 16.574 15.356 15.356 145 1HD ARG 21 2HD ARG 21 14.453 14.464 14.464 146 2HD ARG 21 1HD ARG 21 14.365 14.557 14.557 147 HE ARG 21 HE ARG 21 13.415 16.982 16.982 148 1HH1 ARG 21 1HH2 ARG 21 12.568 13.772 13.772 149 2HH1 ARG 21 2HH2 ARG 21 10.878 14.135 14.135 150 1HH2 ARG 21 2HH1 ARG 21 11.305 17.462 17.462 151 2HH2 ARG 21 1HH1 ARG 21 10.144 16.266 16.266 152 H SER 22 H SER 22 18.797 19.381 19.381 153 HA SER 22 HA SER 22 19.454 21.049 21.049 154 1HB SER 22 2HB SER 22 19.555 18.866 18.866 155 2HB SER 22 1HB SER 22 18.034 19.379 19.379 156 HG SER 22 HG SER 22 19.630 21.484 21.484 157 H GLY 23 H GLY 23 16.871 21.348 21.348 158 1HA GLY 23 2HA GLY 23 15.943 23.761 23.761 159 2HA GLY 23 1HA GLY 23 15.370 22.978 22.978 160 H LYS 24 H LYS 24 15.063 20.553 20.553 161 HA LYS 24 HA LYS 24 12.446 21.500 21.500 162 1HB LYS 24 2HB LYS 24 13.048 19.068 19.068 163 2HB LYS 24 1HB LYS 24 11.740 18.992 18.992 164 1HG LYS 24 2HG LYS 24 11.353 21.478 21.478 165 2HG LYS 24 1HG LYS 24 11.888 20.389 20.389 166 1HD LYS 24 2HD LYS 24 9.493 20.247 20.247 167 2HD LYS 24 1HD LYS 24 10.084 18.751 18.751 168 1HE LYS 24 2HE LYS 24 9.696 20.900 20.900 169 2HE LYS 24 1HE LYS 24 8.221 20.420 20.420 170 1HZ LYS 24 1HZ LYS 24 8.889 18.073 18.073 171 2HZ LYS 24 3HZ LYS 24 10.075 18.718 18.718 172 3HZ LYS 24 2HZ LYS 24 8.432 19.030 19.030 173 H CYS 25 H CYS 25 12.691 21.385 21.385 174 HA CYS 25 HA CYS 25 14.719 19.800 19.800 175 1HB CYS 25 2HB CYS 25 12.315 21.318 21.318 176 2HB CYS 25 1HB CYS 25 13.298 20.432 20.432 177 1HN NH2 26 1HT CYS 25 14.385 17.595 17.595 178 2HN NH2 26 2HT CYS 25 13.161 16.620 16.620 Start of MODEL 14 1 1H CYS 1 3H CYS 1 14.422 27.631 27.631 2 2H CYS 1 2H CYS 1 16.102 27.884 27.884 3 3H CYS 1 1H CYS 1 15.107 28.702 28.702 4 HA CYS 1 HA CYS 1 16.216 26.930 26.930 5 1HB CYS 1 2HB CYS 1 15.787 24.594 24.594 6 2HB CYS 1 1HB CYS 1 16.670 25.506 25.506 7 H LYS 2 H LYS 2 14.886 24.953 24.953 8 HA LYS 2 HA LYS 2 12.134 26.007 26.007 9 1HB LYS 2 2HB LYS 2 14.339 25.144 25.144 10 2HB LYS 2 1HB LYS 2 12.709 24.785 24.785 11 1HG LYS 2 2HG LYS 2 13.571 27.573 27.573 12 2HG LYS 2 1HG LYS 2 13.611 27.039 27.039 13 1HD LYS 2 2HD LYS 2 11.002 26.369 26.369 14 2HD LYS 2 1HD LYS 2 11.311 27.834 27.834 15 1HE LYS 2 2HE LYS 2 11.732 27.595 27.595 16 2HE LYS 2 1HE LYS 2 10.297 28.271 28.271 17 1HZ LYS 2 3HZ LYS 2 12.854 29.340 29.340 18 2HZ LYS 2 2HZ LYS 2 12.367 29.723 29.723 19 3HZ LYS 2 1HZ LYS 2 11.370 30.125 30.125 20 H GLY 3 H GLY 3 10.569 24.629 24.629 21 1HA GLY 3 2HA GLY 3 10.605 21.989 21.989 22 2HA GLY 3 1HA GLY 3 9.194 22.823 22.823 23 H LYS 4 H LYS 4 9.102 20.353 20.353 24 HA LYS 4 HA LYS 4 10.539 19.281 19.281 25 1HB LYS 4 2HB LYS 4 8.540 18.406 18.406 26 2HB LYS 4 1HB LYS 4 7.672 18.481 18.481 27 1HG LYS 4 2HG LYS 4 9.194 16.961 16.961 28 2HG LYS 4 1HG LYS 4 10.380 17.108 17.108 29 1HD LYS 4 2HD LYS 4 8.818 16.050 16.050 30 2HD LYS 4 1HD LYS 4 7.600 15.921 15.921 31 1HE LYS 4 2HE LYS 4 9.194 14.483 14.483 32 2HE LYS 4 1HE LYS 4 10.332 14.557 14.557 33 1HZ LYS 4 2HZ LYS 4 8.605 13.585 13.585 34 2HZ LYS 4 1HZ LYS 4 7.600 13.421 13.421 35 3HZ LYS 4 3HZ LYS 4 9.064 12.566 12.566 36 H GLY 5 H GLY 5 10.362 19.253 19.253 37 1HA GLY 5 2HA GLY 5 9.753 19.839 19.839 38 2HA GLY 5 1HA GLY 5 8.142 20.182 20.182 39 H ALA 6 H ALA 6 10.573 21.929 21.929 40 HA ALA 6 HA ALA 6 9.599 24.454 24.454 41 1HB ALA 6 2HB ALA 6 11.917 23.749 23.749 42 2HB ALA 6 1HB ALA 6 11.434 25.396 25.396 43 3HB ALA 6 3HB ALA 6 10.332 24.329 24.329 44 H LYS 7 H LYS 7 11.044 26.117 26.117 45 HA LYS 7 HA LYS 7 12.527 25.098 25.098 46 1HB LYS 7 2HB LYS 7 12.811 27.599 27.599 47 2HB LYS 7 1HB LYS 7 11.171 27.011 27.011 48 1HG LYS 7 2HG LYS 7 12.256 28.017 28.017 49 2HG LYS 7 1HG LYS 7 12.081 29.222 29.222 50 1HD LYS 7 2HD LYS 7 9.637 28.004 28.004 51 2HD LYS 7 1HD LYS 7 9.967 27.653 27.653 52 1HE LYS 7 2HE LYS 7 10.076 30.442 30.442 53 2HE LYS 7 1HE LYS 7 8.727 29.799 29.799 54 1HZ LYS 7 1HZ LYS 7 11.413 29.739 29.739 55 2HZ LYS 7 3HZ LYS 7 10.541 31.195 31.195 56 3HZ LYS 7 2HZ LYS 7 9.900 29.828 29.828 57 H CYS 8 H CYS 8 14.153 24.001 24.001 58 HA CYS 8 HA CYS 8 16.131 25.556 25.556 59 1HB CYS 8 2HB CYS 8 16.952 23.559 23.559 60 2HB CYS 8 1HB CYS 8 15.347 23.078 23.078 61 H SER 9 H SER 9 18.484 24.206 24.206 62 HA SER 9 HA SER 9 18.732 24.625 24.625 63 1HB SER 9 2HB SER 9 18.948 26.970 26.970 64 2HB SER 9 1HB SER 9 20.252 26.531 26.531 65 HG SER 9 HG SER 9 21.511 26.015 26.015 66 H ARG 10 H ARG 10 20.731 24.204 24.204 67 HA ARG 10 HA ARG 10 21.962 21.853 21.853 68 1HB ARG 10 2HB ARG 10 23.589 22.055 22.055 69 2HB ARG 10 1HB ARG 10 21.924 22.141 22.141 70 1HG ARG 10 2HG ARG 10 22.489 24.027 24.027 71 2HG ARG 10 1HG ARG 10 22.483 24.844 24.844 72 1HD ARG 10 2HD ARG 10 24.614 25.323 25.323 73 2HD ARG 10 1HD ARG 10 24.954 24.123 24.123 74 HE ARG 10 HE ARG 10 24.429 22.620 22.620 75 1HH1 ARG 10 1HH2 ARG 10 26.618 25.171 25.171 76 2HH1 ARG 10 2HH2 ARG 10 27.845 24.632 24.632 77 1HH2 ARG 10 2HH1 ARG 10 25.966 21.926 21.926 78 2HH2 ARG 10 1HH1 ARG 10 27.471 22.771 22.771 79 H LEU 11 H LEU 11 22.732 25.218 25.218 80 HA LEU 11 HA LEU 11 25.250 24.817 24.817 81 1HB LEU 11 2HB LEU 11 24.521 26.604 26.604 82 2HB LEU 11 1HB LEU 11 24.461 27.613 27.613 83 HG LEU 11 HG LEU 11 26.677 27.746 27.746 84 1HD1 LEU 11 2HD1 LEU 11 26.547 27.814 27.814 85 2HD1 LEU 11 1HD1 LEU 11 26.922 26.097 26.097 86 3HD1 LEU 11 3HD1 LEU 11 28.092 27.237 27.237 87 1HD2 LEU 11 3HD2 LEU 11 26.649 25.516 25.516 88 2HD2 LEU 11 2HD2 LEU 11 28.152 25.828 25.828 89 3HD2 LEU 11 1HD2 LEU 11 26.968 24.739 24.739 90 H MET 12 H MET 12 22.092 25.048 25.048 91 HA MET 12 HA MET 12 22.710 26.157 26.157 92 1HB MET 12 2HB MET 12 20.181 27.074 27.074 93 2HB MET 12 1HB MET 12 20.872 27.688 27.688 94 1HG MET 12 2HG MET 12 22.843 28.520 28.520 95 2HG MET 12 1HG MET 12 22.082 27.975 27.975 96 1HE MET 12 3HE MET 12 21.291 30.136 30.136 97 2HE MET 12 2HE MET 12 22.703 30.825 30.825 98 3HE MET 12 1HE MET 12 21.190 31.709 31.709 99 H TYR 13 H TYR 13 22.565 24.215 24.215 100 HA TYR 13 HA TYR 13 20.128 22.540 22.540 101 1HB TYR 13 2HB TYR 13 22.581 22.159 22.159 102 2HB TYR 13 1HB TYR 13 21.387 20.936 20.936 103 HD1 TYR 13 HD1 TYR 13 24.148 22.993 22.993 104 HD2 TYR 13 HD2 TYR 13 21.551 19.682 19.682 105 HE1 TYR 13 HE1 TYR 13 25.493 22.322 22.322 106 HE2 TYR 13 HE2 TYR 13 22.898 19.016 19.016 107 HH TYR 13 HH TYR 13 24.645 19.473 19.473 108 H ASP 14 H ASP 14 19.373 24.829 24.829 109 HA ASP 14 HA ASP 14 19.491 25.631 25.631 110 1HB ASP 14 2HB ASP 14 18.487 27.454 27.454 111 2HB ASP 14 1HB ASP 14 18.699 26.680 26.680 112 H CYS 15 H CYS 15 17.695 23.125 23.125 113 HA CYS 15 HA CYS 15 15.281 23.165 23.165 114 1HB CYS 15 2HB CYS 15 16.801 20.638 20.638 115 2HB CYS 15 1HB CYS 15 15.077 20.905 20.905 116 H CYS 16 H CYS 16 14.663 22.404 22.404 117 HA CYS 16 HA CYS 16 16.384 22.662 22.662 118 1HB CYS 16 2HB CYS 16 13.805 21.102 21.102 119 2HB CYS 16 1HB CYS 16 14.509 21.766 21.766 120 H THR 17 H THR 17 15.230 19.791 19.791 121 HA THR 17 HA THR 17 17.156 18.127 18.127 122 HB THR 17 HB THR 17 14.673 17.495 17.495 123 HG1 THR 17 HG1 THR 17 16.155 15.576 15.576 124 1HG2 THR 17 1HG2 THR 17 14.341 18.089 18.089 125 2HG2 THR 17 3HG2 THR 17 15.024 16.498 16.498 126 3HG2 THR 17 2HG2 THR 17 13.542 16.660 16.660 127 H GLY 18 H GLY 18 17.981 19.752 19.752 128 1HA GLY 18 2HA GLY 18 19.182 19.787 19.787 129 2HA GLY 18 1HA GLY 18 19.960 18.393 18.393 130 H SER 19 H SER 19 16.690 18.738 18.738 131 HA SER 19 HA SER 19 16.760 16.279 16.279 132 1HB SER 19 2HB SER 19 14.782 18.036 18.036 133 2HB SER 19 1HB SER 19 14.340 17.696 17.696 134 HG SER 19 HG SER 19 14.615 15.496 15.496 135 H CYS 20 H CYS 20 17.420 19.457 19.457 136 HA CYS 20 HA CYS 20 16.552 20.217 20.217 137 1HB CYS 20 2HB CYS 20 18.323 21.364 21.364 138 2HB CYS 20 1HB CYS 20 19.477 20.219 20.219 139 H ARG 21 H ARG 21 16.533 19.716 19.716 140 HA ARG 21 HA ARG 21 18.283 17.587 17.587 141 1HB ARG 21 2HB ARG 21 15.852 16.846 16.846 142 2HB ARG 21 1HB ARG 21 15.324 17.917 17.917 143 1HG ARG 21 2HG ARG 21 16.668 16.684 16.684 144 2HG ARG 21 1HG ARG 21 17.353 15.681 15.681 145 1HD ARG 21 2HD ARG 21 14.356 15.723 15.723 146 2HD ARG 21 1HD ARG 21 15.146 14.959 14.959 147 HE ARG 21 HE ARG 21 15.089 13.969 13.969 148 1HH1 ARG 21 2HH1 ARG 21 16.794 13.943 13.943 149 2HH1 ARG 21 1HH1 ARG 21 17.537 12.410 12.410 150 1HH2 ARG 21 1HH2 ARG 21 16.022 12.035 12.035 151 2HH2 ARG 21 2HH2 ARG 21 17.097 11.312 11.312 152 H SER 22 H SER 22 19.209 19.804 19.804 153 HA SER 22 HA SER 22 19.820 21.617 21.617 154 1HB SER 22 2HB SER 22 19.267 19.394 19.394 155 2HB SER 22 1HB SER 22 20.118 20.890 20.890 156 HG SER 22 HG SER 22 20.784 19.120 19.120 157 H GLY 23 H GLY 23 17.303 21.804 21.804 158 1HA GLY 23 2HA GLY 23 16.112 23.951 23.951 159 2HA GLY 23 1HA GLY 23 15.687 22.827 22.827 160 H LYS 24 H LYS 24 15.296 20.600 20.600 161 HA LYS 24 HA LYS 24 12.718 21.590 21.590 162 1HB LYS 24 2HB LYS 24 13.318 18.961 18.961 163 2HB LYS 24 1HB LYS 24 11.881 19.197 19.197 164 1HG LYS 24 2HG LYS 24 12.628 20.995 20.995 165 2HG LYS 24 1HG LYS 24 11.564 19.610 19.610 166 1HD LYS 24 2HD LYS 24 10.065 20.656 20.656 167 2HD LYS 24 1HD LYS 24 11.079 22.088 22.088 168 1HE LYS 24 2HE LYS 24 10.626 22.258 22.258 169 2HE LYS 24 1HE LYS 24 9.470 20.942 20.942 170 1HZ LYS 24 2HZ LYS 24 8.310 22.295 22.295 171 2HZ LYS 24 1HZ LYS 24 9.375 23.578 23.578 172 3HZ LYS 24 3HZ LYS 24 8.335 23.007 23.007 173 H CYS 25 H CYS 25 12.594 21.362 21.362 174 HA CYS 25 HA CYS 25 14.716 19.966 19.966 175 1HB CYS 25 2HB CYS 25 12.316 21.589 21.589 176 2HB CYS 25 1HB CYS 25 13.085 20.653 20.653 177 1HN NH2 26 1HT CYS 25 14.178 17.775 17.775 178 2HN NH2 26 2HT CYS 25 13.041 16.801 16.801 Start of MODEL 15 1 1H CYS 1 2H CYS 1 13.356 27.344 27.344 2 2H CYS 1 1H CYS 1 14.939 27.629 27.629 3 3H CYS 1 3H CYS 1 14.292 28.568 28.568 4 HA CYS 1 HA CYS 1 15.751 27.034 27.034 5 1HB CYS 1 2HB CYS 1 15.423 24.585 24.585 6 2HB CYS 1 1HB CYS 1 15.947 25.454 25.454 7 H LYS 2 H LYS 2 14.872 24.962 24.962 8 HA LYS 2 HA LYS 2 12.390 26.024 26.024 9 1HB LYS 2 2HB LYS 2 14.985 24.915 24.915 10 2HB LYS 2 1HB LYS 2 13.544 24.573 24.573 11 1HG LYS 2 2HG LYS 2 13.051 27.105 27.105 12 2HG LYS 2 1HG LYS 2 14.659 27.294 27.294 13 1HD LYS 2 2HD LYS 2 15.375 25.830 25.830 14 2HD LYS 2 1HD LYS 2 13.845 26.386 26.386 15 1HE LYS 2 2HE LYS 2 15.960 28.287 28.287 16 2HE LYS 2 1HE LYS 2 15.845 27.854 27.854 17 1HZ LYS 2 3HZ LYS 2 13.507 28.648 28.648 18 2HZ LYS 2 2HZ LYS 2 13.820 29.251 29.251 19 3HZ LYS 2 1HZ LYS 2 14.682 29.854 29.854 20 H GLY 3 H GLY 3 10.683 24.824 24.824 21 1HA GLY 3 2HA GLY 3 10.583 22.227 22.227 22 2HA GLY 3 1HA GLY 3 9.240 23.050 23.050 23 H LYS 4 H LYS 4 9.373 20.402 20.402 24 HA LYS 4 HA LYS 4 10.805 19.355 19.355 25 1HB LYS 4 2HB LYS 4 8.990 17.529 17.529 26 2HB LYS 4 1HB LYS 4 9.968 17.746 17.746 27 1HG LYS 4 2HG LYS 4 8.226 18.486 18.486 28 2HG LYS 4 1HG LYS 4 7.474 19.390 19.390 29 1HD LYS 4 2HD LYS 4 6.180 17.620 17.620 30 2HD LYS 4 1HD LYS 4 7.411 16.421 16.421 31 1HE LYS 4 2HE LYS 4 6.928 16.779 16.779 32 2HE LYS 4 1HE LYS 4 5.531 17.729 17.729 33 1HZ LYS 4 2HZ LYS 4 6.060 14.921 14.921 34 2HZ LYS 4 1HZ LYS 4 4.971 15.425 15.425 35 3HZ LYS 4 3HZ LYS 4 4.693 15.833 15.833 36 H GLY 5 H GLY 5 10.651 20.258 20.258 37 1HA GLY 5 2HA GLY 5 9.515 20.173 20.173 38 2HA GLY 5 1HA GLY 5 7.990 20.510 20.510 39 H ALA 6 H ALA 6 10.810 22.154 22.154 40 HA ALA 6 HA ALA 6 9.734 24.745 24.745 41 1HB ALA 6 1HB ALA 6 11.896 23.932 23.932 42 2HB ALA 6 3HB ALA 6 11.652 25.611 25.611 43 3HB ALA 6 2HB ALA 6 10.373 24.729 24.729 44 H LYS 7 H LYS 7 11.023 26.208 26.208 45 HA LYS 7 HA LYS 7 12.613 25.046 25.046 46 1HB LYS 7 2HB LYS 7 11.108 27.304 27.304 47 2HB LYS 7 1HB LYS 7 12.665 28.030 28.030 48 1HG LYS 7 2HG LYS 7 12.485 28.146 28.146 49 2HG LYS 7 1HG LYS 7 13.479 26.723 26.723 50 1HD LYS 7 2HD LYS 7 11.175 25.410 25.410 51 2HD LYS 7 1HD LYS 7 10.530 26.880 26.880 52 1HE LYS 7 2HE LYS 7 12.262 26.731 26.731 53 2HE LYS 7 1HE LYS 7 12.824 25.215 25.215 54 1HZ LYS 7 3HZ LYS 7 10.620 24.294 24.294 55 2HZ LYS 7 2HZ LYS 7 10.094 25.752 25.752 56 3HZ LYS 7 1HZ LYS 7 11.289 24.827 24.827 57 H CYS 8 H CYS 8 14.209 23.992 23.992 58 HA CYS 8 HA CYS 8 16.107 25.392 25.392 59 1HB CYS 8 2HB CYS 8 16.909 23.331 23.331 60 2HB CYS 8 1HB CYS 8 15.295 22.931 22.931 61 H SER 9 H SER 9 18.505 24.145 24.145 62 HA SER 9 HA SER 9 19.032 24.841 24.841 63 1HB SER 9 2HB SER 9 21.009 26.456 26.456 64 2HB SER 9 1HB SER 9 19.589 27.055 27.055 65 HG SER 9 HG SER 9 18.445 26.993 26.993 66 H ARG 10 H ARG 10 20.829 23.964 23.964 67 HA ARG 10 HA ARG 10 22.004 21.768 21.768 68 1HB ARG 10 2HB ARG 10 23.569 21.665 21.665 69 2HB ARG 10 1HB ARG 10 21.906 21.839 21.839 70 1HG ARG 10 2HG ARG 10 22.242 24.272 24.272 71 2HG ARG 10 1HG ARG 10 23.882 24.165 24.165 72 1HD ARG 10 2HD ARG 10 24.673 23.014 23.014 73 2HD ARG 10 1HD ARG 10 23.084 22.380 22.380 74 HE ARG 10 HE ARG 10 22.716 24.284 24.284 75 1HH1 ARG 10 2HH1 ARG 10 25.189 24.928 24.928 76 2HH1 ARG 10 1HH1 ARG 10 25.520 26.509 26.509 77 1HH2 ARG 10 1HH2 ARG 10 23.127 26.276 26.276 78 2HH2 ARG 10 2HH2 ARG 10 24.345 27.281 27.281 79 H LEU 11 H LEU 11 22.842 25.083 25.083 80 HA LEU 11 HA LEU 11 25.433 24.727 24.727 81 1HB LEU 11 2HB LEU 11 24.593 26.426 26.426 82 2HB LEU 11 1HB LEU 11 24.736 27.497 27.497 83 HG LEU 11 HG LEU 11 27.064 26.324 26.324 84 1HD1 LEU 11 1HD1 LEU 11 26.636 24.476 24.476 85 2HD1 LEU 11 3HD1 LEU 11 26.606 25.671 25.671 86 3HD1 LEU 11 2HD1 LEU 11 28.085 25.389 25.389 87 1HD2 LEU 11 2HD2 LEU 11 26.796 28.680 28.680 88 2HD2 LEU 11 1HD2 LEU 11 28.165 27.903 27.903 89 3HD2 LEU 11 3HD2 LEU 11 26.666 28.124 28.124 90 H MET 12 H MET 12 22.340 25.174 25.174 91 HA MET 12 HA MET 12 23.090 26.242 26.242 92 1HB MET 12 2HB MET 12 21.615 27.766 27.766 93 2HB MET 12 1HB MET 12 20.674 27.622 27.622 94 1HG MET 12 2HG MET 12 23.557 28.440 28.440 95 2HG MET 12 1HG MET 12 22.336 29.603 29.603 96 1HE MET 12 1HE MET 12 21.176 31.044 31.044 97 2HE MET 12 3HE MET 12 20.014 29.701 29.701 98 3HE MET 12 2HE MET 12 20.581 30.525 30.525 99 H TYR 13 H TYR 13 22.698 24.313 24.313 100 HA TYR 13 HA TYR 13 20.150 22.883 22.883 101 1HB TYR 13 2HB TYR 13 22.285 22.254 22.254 102 2HB TYR 13 1HB TYR 13 21.139 21.149 21.149 103 HD1 TYR 13 HD1 TYR 13 21.345 21.002 21.002 104 HD2 TYR 13 HD2 TYR 13 24.487 22.199 22.199 105 HE1 TYR 13 HE1 TYR 13 22.992 20.400 20.400 106 HE2 TYR 13 HE2 TYR 13 26.133 21.597 21.597 107 HH TYR 13 HH TYR 13 25.173 20.601 20.601 108 H ASP 14 H ASP 14 19.300 25.117 25.117 109 HA ASP 14 HA ASP 14 19.215 25.975 25.975 110 1HB ASP 14 2HB ASP 14 18.439 27.060 27.060 111 2HB ASP 14 1HB ASP 14 16.929 26.385 26.385 112 H CYS 15 H CYS 15 17.742 23.272 23.272 113 HA CYS 15 HA CYS 15 15.308 23.080 23.080 114 1HB CYS 15 2HB CYS 15 17.081 20.726 20.726 115 2HB CYS 15 1HB CYS 15 15.340 20.789 20.789 116 H CYS 16 H CYS 16 14.678 22.296 22.296 117 HA CYS 16 HA CYS 16 16.127 22.663 22.663 118 1HB CYS 16 2HB CYS 16 13.830 20.758 20.758 119 2HB CYS 16 1HB CYS 16 14.273 21.504 21.504 120 H THR 17 H THR 17 15.574 19.749 19.749 121 HA THR 17 HA THR 17 17.700 18.354 18.354 122 HB THR 17 HB THR 17 15.410 16.876 16.876 123 HG1 THR 17 HG1 THR 17 15.539 18.268 18.268 124 1HG2 THR 17 3HG2 THR 17 17.432 15.592 15.592 125 2HG2 THR 17 2HG2 THR 17 16.903 16.252 16.252 126 3HG2 THR 17 1HG2 THR 17 15.855 15.169 15.169 127 H GLY 18 H GLY 18 18.182 19.936 19.936 128 1HA GLY 18 2HA GLY 18 19.190 20.001 20.001 129 2HA GLY 18 1HA GLY 18 20.158 18.717 18.717 130 H SER 19 H SER 19 16.803 18.814 18.814 131 HA SER 19 HA SER 19 16.941 16.256 16.256 132 1HB SER 19 2HB SER 19 14.918 17.972 17.972 133 2HB SER 19 1HB SER 19 14.434 17.563 17.563 134 HG SER 19 HG SER 19 14.109 15.612 15.612 135 H CYS 20 H CYS 20 17.410 19.415 19.415 136 HA CYS 20 HA CYS 20 16.527 20.120 20.120 137 1HB CYS 20 2HB CYS 20 18.448 21.101 21.101 138 2HB CYS 20 1HB CYS 20 19.487 19.962 19.962 139 H ARG 21 H ARG 21 16.091 19.327 19.327 140 HA ARG 21 HA ARG 21 17.764 17.168 17.168 141 1HB ARG 21 2HB ARG 21 15.263 16.710 16.710 142 2HB ARG 21 1HB ARG 21 14.834 17.654 17.654 143 1HG ARG 21 2HG ARG 21 16.068 16.111 16.111 144 2HG ARG 21 1HG ARG 21 16.658 15.205 15.205 145 1HD ARG 21 2HD ARG 21 13.674 15.577 15.577 146 2HD ARG 21 1HD ARG 21 14.566 14.275 14.275 147 HE ARG 21 HE ARG 21 15.151 14.283 14.283 148 1HH1 ARG 21 2HH1 ARG 21 12.653 13.552 13.552 149 2HH1 ARG 21 1HH1 ARG 21 11.914 12.361 12.361 150 1HH2 ARG 21 1HH2 ARG 21 14.253 12.781 12.781 151 2HH2 ARG 21 2HH2 ARG 21 12.838 11.911 11.911 152 H SER 22 H SER 22 18.911 19.173 19.173 153 HA SER 22 HA SER 22 19.702 20.803 20.803 154 1HB SER 22 2HB SER 22 18.255 19.016 19.016 155 2HB SER 22 1HB SER 22 19.557 20.154 20.154 156 HG SER 22 HG SER 22 20.762 19.009 19.009 157 H GLY 23 H GLY 23 17.117 21.266 21.266 158 1HA GLY 23 2HA GLY 23 16.330 23.719 23.719 159 2HA GLY 23 1HA GLY 23 15.728 22.925 22.925 160 H LYS 24 H LYS 24 15.182 20.533 20.533 161 HA LYS 24 HA LYS 24 12.643 21.672 21.672 162 1HB LYS 24 2HB LYS 24 12.463 20.246 20.246 163 2HB LYS 24 1HB LYS 24 12.808 18.876 18.876 164 1HG LYS 24 2HG LYS 24 10.506 18.855 18.855 165 2HG LYS 24 1HG LYS 24 10.846 19.948 19.948 166 1HD LYS 24 2HD LYS 24 10.461 21.903 21.903 167 2HD LYS 24 1HD LYS 24 10.212 20.832 20.832 168 1HE LYS 24 2HE LYS 24 8.249 19.806 19.806 169 2HE LYS 24 1HE LYS 24 8.464 20.976 20.976 170 1HZ LYS 24 3HZ LYS 24 8.201 22.741 22.741 171 2HZ LYS 24 2HZ LYS 24 7.845 21.557 21.557 172 3HZ LYS 24 1HZ LYS 24 6.822 21.765 21.765 173 H CYS 25 H CYS 25 12.871 21.532 21.532 174 HA CYS 25 HA CYS 25 14.717 19.798 19.798 175 1HB CYS 25 2HB CYS 25 12.336 21.379 21.379 176 2HB CYS 25 1HB CYS 25 13.245 20.429 20.429 177 1HN NH2 26 1HT CYS 25 14.442 17.597 17.597 178 2HN NH2 26 2HT CYS 25 13.083 16.687 16.687
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