NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
535308 | 2lo7 | 17987 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 16.059 19.755 38.248 2 H2 GLY 1 H2 GLY 1 17.156 19.009 37.279 3 H3 GLY 1 H3 GLY 1 16.131 20.114 36.639 4 HA2 GLY 1 HA2 GLY 1 18.119 20.755 38.709 5 HA3 GLY 1 HA3 GLY 1 18.426 20.928 36.964 6 H SER 2 H SER 2 18.750 23.247 38.139 7 HA SER 2 HA SER 2 16.342 24.790 38.518 8 HB2 SER 2 HB2 SER 2 17.831 26.660 38.808 9 HB3 SER 2 HB3 SER 2 18.525 25.238 39.611 10 HG SER 2 HG SER 2 20.204 25.842 38.475 11 H GLY 3 H GLY 3 17.503 23.651 35.656 12 HA2 GLY 3 HA2 GLY 3 16.682 24.263 33.454 13 HA3 GLY 3 HA3 GLY 3 16.553 25.938 33.987 14 H CYS 4 H CYS 4 19.996 24.845 32.311 15 HA CYS 4 HA CYS 4 18.125 22.680 33.015 16 HB2 CYS 4 HB2 CYS 4 19.932 22.971 31.004 17 HB3 CYS 4 HB3 CYS 4 20.943 22.130 32.175 18 H MET 5 H MET 5 21.538 23.457 33.764 19 HA MET 5 HA MET 5 20.771 24.045 36.495 20 HB2 MET 5 HB2 MET 5 23.224 22.307 35.944 21 HB3 MET 5 HB3 MET 5 22.837 23.100 37.472 22 HG2 MET 5 HG2 MET 5 20.717 21.772 37.572 23 HG3 MET 5 HG3 MET 5 21.237 20.894 36.132 24 HE1 MET 5 HE1 MET 5 20.694 18.735 37.730 25 HE2 MET 5 HE2 MET 5 21.581 18.398 39.236 26 HE3 MET 5 HE3 MET 5 20.443 19.763 39.164 27 H LYS 6 H LYS 6 21.935 25.969 37.156 28 HA LYS 6 HA LYS 6 23.050 27.509 34.992 29 HB2 LYS 6 HB2 LYS 6 21.802 28.410 36.985 30 HB3 LYS 6 HB3 LYS 6 23.245 28.099 37.966 31 HG2 LYS 6 HG2 LYS 6 24.544 29.684 36.657 32 HG3 LYS 6 HG3 LYS 6 23.261 29.816 35.447 33 HD2 LYS 6 HD2 LYS 6 23.406 31.784 36.900 34 HD3 LYS 6 HD3 LYS 6 21.826 31.005 36.989 35 HE2 LYS 6 HE2 LYS 6 22.304 30.048 39.146 36 HE3 LYS 6 HE3 LYS 6 24.026 30.438 39.012 37 HZ1 LYS 6 HZ1 LYS 6 23.433 32.797 39.072 38 HZ2 LYS 6 HZ2 LYS 6 21.845 32.439 39.211 39 HZ3 LYS 6 HZ3 LYS 6 22.902 32.025 40.422 40 H GLU 7 H GLU 7 24.534 25.427 37.326 41 HA GLU 7 HA GLU 7 27.299 26.132 36.864 42 HB2 GLU 7 HB2 GLU 7 26.016 23.472 37.693 43 HB3 GLU 7 HB3 GLU 7 27.720 23.871 37.813 44 HG2 GLU 7 HG2 GLU 7 26.747 23.970 39.995 45 HG3 GLU 7 HG3 GLU 7 27.217 25.591 39.520 46 H TYR 8 H TYR 8 25.332 23.415 35.582 47 HA TYR 8 HA TYR 8 27.107 22.400 33.653 48 HB2 TYR 8 HB2 TYR 8 25.049 21.293 34.337 49 HB3 TYR 8 HB3 TYR 8 24.069 22.596 33.728 50 HD1 TYR 8 HD1 TYR 8 26.150 19.699 32.739 51 HD2 TYR 8 HD2 TYR 8 23.502 22.829 31.394 52 HE1 TYR 8 HE1 TYR 8 25.825 18.497 30.554 53 HE2 TYR 8 HE2 TYR 8 23.170 21.626 29.229 54 HH TYR 8 HH TYR 8 24.540 18.398 28.622 55 H CYS 9 H CYS 9 24.605 24.941 33.233 56 HA CYS 9 HA CYS 9 25.091 25.310 30.471 57 HB2 CYS 9 HB2 CYS 9 23.817 27.064 32.581 58 HB3 CYS 9 HB3 CYS 9 23.869 27.513 30.882 59 H ALA 10 H ALA 10 26.838 26.860 33.218 60 HA ALA 10 HA ALA 10 28.334 28.554 31.330 61 HB1 ALA 10 HB1 ALA 10 28.710 28.018 34.297 62 HB2 ALA 10 HB2 ALA 10 29.550 29.263 33.347 63 HB3 ALA 10 HB3 ALA 10 27.794 29.367 33.569 64 H GLY 11 H GLY 11 28.725 25.391 32.789 65 HA2 GLY 11 HA2 GLY 11 31.499 24.969 32.050 66 HA3 GLY 11 HA3 GLY 11 30.311 23.755 32.535 67 H GLN 12 H GLN 12 28.591 24.968 30.161 68 HA GLN 12 HA GLN 12 29.989 23.545 27.913 69 HB2 GLN 12 HB2 GLN 12 27.012 23.823 28.464 70 HB3 GLN 12 HB3 GLN 12 27.731 23.002 27.082 71 HG2 GLN 12 HG2 GLN 12 28.028 22.158 29.998 72 HG3 GLN 12 HG3 GLN 12 26.955 21.433 28.817 73 HE21 GLN 12 HE22 GLN 12 28.823 19.925 30.265 74 HE22 GLN 12 HE21 GLN 12 29.979 19.291 29.112 75 H CYS 13 H CYS 13 27.963 26.432 28.663 76 HA CYS 13 HA CYS 13 28.447 27.422 25.881 77 HB2 CYS 13 HB2 CYS 13 26.159 26.386 26.457 78 HB3 CYS 13 HB3 CYS 13 25.936 27.787 27.512 79 H ARG 14 H ARG 14 28.505 29.689 25.615 80 HA ARG 14 HA ARG 14 29.319 31.156 28.102 81 HB2 ARG 14 HB2 ARG 14 30.567 31.170 25.340 82 HB3 ARG 14 HB3 ARG 14 31.188 32.026 26.730 83 HG2 ARG 14 HG2 ARG 14 31.161 28.999 26.301 84 HG3 ARG 14 HG3 ARG 14 32.554 30.064 26.259 85 HD2 ARG 14 HD2 ARG 14 30.922 29.292 28.698 86 HD3 ARG 14 HD3 ARG 14 32.596 28.865 28.325 87 HE ARG 14 HE ARG 14 32.666 31.621 28.334 88 HH11 ARG 14 HH11 ARG 14 31.730 29.280 30.821 89 HH12 ARG 14 HH12 ARG 14 32.312 30.387 32.048 90 HH21 ARG 14 HH21 ARG 14 32.974 32.966 29.945 91 HH22 ARG 14 HH22 ARG 14 32.618 32.468 31.609 92 H GLY 15 H GLY 15 29.077 33.187 28.418 93 HA2 GLY 15 HA2 GLY 15 28.485 35.425 28.014 94 HA3 GLY 15 HA3 GLY 15 27.897 35.000 26.400 95 H LYS 16 H LYS 16 26.482 36.590 28.275 96 HA LYS 16 HA LYS 16 24.851 35.242 30.146 97 HB2 LYS 16 HB2 LYS 16 25.332 37.664 30.176 98 HB3 LYS 16 HB3 LYS 16 24.378 37.892 28.703 99 HG2 LYS 16 HG2 LYS 16 22.340 37.122 29.908 100 HG3 LYS 16 HG3 LYS 16 23.300 36.902 31.381 101 HD2 LYS 16 HD2 LYS 16 23.747 39.325 31.483 102 HD3 LYS 16 HD3 LYS 16 22.918 39.555 29.924 103 HE2 LYS 16 HE2 LYS 16 20.839 38.575 30.930 104 HE3 LYS 16 HE3 LYS 16 21.649 38.509 32.500 105 HZ1 LYS 16 HZ1 LYS 16 21.765 40.915 32.487 106 HZ2 LYS 16 HZ2 LYS 16 21.167 41.011 30.955 107 HZ3 LYS 16 HZ3 LYS 16 20.231 40.477 32.192 108 H VAL 17 H VAL 17 24.129 36.019 26.757 109 HA VAL 17 HA VAL 17 21.335 35.186 26.965 110 HB VAL 17 HB VAL 17 22.976 35.888 24.509 111 HG11 VAL 17 HG11 VAL 17 20.753 36.418 23.506 112 HG12 VAL 17 HG12 VAL 17 20.890 34.705 23.900 113 HG13 VAL 17 HG13 VAL 17 19.949 35.776 24.953 114 HG21 VAL 17 HG21 VAL 17 22.924 37.752 26.110 115 HG22 VAL 17 HG22 VAL 17 21.887 38.113 24.725 116 HG23 VAL 17 HG23 VAL 17 21.168 37.597 26.271 117 H SER 18 H SER 18 24.356 33.809 25.616 118 HA SER 18 HA SER 18 23.254 31.453 24.506 119 HB2 SER 18 HB2 SER 18 25.950 31.646 25.858 120 HB3 SER 18 HB3 SER 18 25.505 30.777 24.378 121 HG SER 18 HG SER 18 26.701 32.963 24.479 122 H GLN 19 H GLN 19 24.842 32.007 27.711 123 HA GLN 19 HA GLN 19 24.022 29.570 28.929 124 HB2 GLN 19 HB2 GLN 19 24.595 32.354 30.020 125 HB3 GLN 19 HB3 GLN 19 24.274 30.965 31.061 126 HG2 GLN 19 HG2 GLN 19 26.149 29.743 30.201 127 HG3 GLN 19 HG3 GLN 19 26.395 30.865 28.867 128 HE21 GLN 19 HE22 GLN 19 28.562 30.290 30.088 129 HE22 GLN 19 HE21 GLN 19 29.062 31.535 31.256 130 H ASP 20 H ASP 20 22.106 32.640 28.665 131 HA ASP 20 HA ASP 20 19.873 31.719 30.179 132 HB2 ASP 20 HB2 ASP 20 20.210 34.062 29.691 133 HB3 ASP 20 HB3 ASP 20 20.062 33.768 27.951 134 H TYR 21 H TYR 21 20.606 31.384 26.663 135 HA TYR 21 HA TYR 21 18.189 30.041 25.969 136 HB2 TYR 21 HB2 TYR 21 20.086 30.936 24.475 137 HB3 TYR 21 HB3 TYR 21 20.905 29.416 24.788 138 HD1 TYR 21 HD2 TYR 21 19.909 27.251 23.857 139 HD2 TYR 21 HD1 TYR 21 18.151 31.129 23.092 140 HE1 TYR 21 HE2 TYR 21 18.531 26.283 22.025 141 HE2 TYR 21 HE1 TYR 21 16.777 30.142 21.260 142 HH TYR 21 HH TYR 21 16.195 28.240 20.130 143 H CYS 22 H CYS 22 21.198 28.790 27.431 144 HA CYS 22 HA CYS 22 20.373 26.002 27.362 145 HB2 CYS 22 HB2 CYS 22 22.691 26.618 27.449 146 HB3 CYS 22 HB3 CYS 22 22.478 27.485 28.963 147 H LEU 23 H LEU 23 19.947 28.598 29.736 148 HA LEU 23 HA LEU 23 18.651 27.100 31.770 149 HB2 LEU 23 HB2 LEU 23 19.040 29.916 30.961 150 HB3 LEU 23 HB3 LEU 23 17.529 29.633 31.810 151 HG LEU 23 HG LEU 23 18.745 28.715 33.722 152 HD11 LEU 23 HD11 LEU 23 21.313 29.454 32.250 153 HD12 LEU 23 HD12 LEU 23 21.190 28.853 33.913 154 HD13 LEU 23 HD13 LEU 23 20.777 27.793 32.558 155 HD21 LEU 23 HD21 LEU 23 19.874 30.799 34.426 156 HD22 LEU 23 HD22 LEU 23 19.817 31.367 32.735 157 HD23 LEU 23 HD23 LEU 23 18.303 31.083 33.653 158 H LYS 24 H LYS 24 17.451 28.062 28.684 159 HA LYS 24 HA LYS 24 14.603 27.445 29.371 160 HB2 LYS 24 HB2 LYS 24 15.968 28.758 26.994 161 HB3 LYS 24 HB3 LYS 24 14.231 28.394 27.056 162 HG2 LYS 24 HG2 LYS 24 13.929 29.834 28.968 163 HG3 LYS 24 HG3 LYS 24 15.683 30.091 29.110 164 HD2 LYS 24 HD2 LYS 24 15.774 31.334 27.052 165 HD3 LYS 24 HD3 LYS 24 14.088 30.927 26.671 166 HE2 LYS 24 HE2 LYS 24 14.264 33.226 27.525 167 HE3 LYS 24 HE3 LYS 24 13.273 32.202 28.570 168 HZ1 LYS 24 HZ1 LYS 24 16.088 33.016 29.091 169 HZ2 LYS 24 HZ2 LYS 24 14.750 33.513 29.914 170 HZ3 LYS 24 HZ3 LYS 24 15.233 31.972 30.043 171 H HIS 25 H HIS 25 17.224 26.318 27.328 172 HA HIS 25 HA HIS 25 15.477 24.136 26.199 173 HB2 HIS 25 HB2 HIS 25 17.623 25.835 24.880 174 HB3 HIS 25 HB3 HIS 25 16.715 24.562 24.099 175 HD2 HIS 25 HD2 HIS 25 16.529 28.244 24.827 176 HE1 HIS 25 HE1 HIS 25 12.669 27.188 23.354 177 HE2 HIS 25 HE2 HIS 25 14.248 29.122 23.820 178 H CYS 26 H CYS 26 18.049 24.298 28.269 179 HA CYS 26 HA CYS 26 19.781 22.991 28.833 180 HB2 CYS 26 HB2 CYS 26 17.942 20.892 27.682 181 HB3 CYS 26 HB3 CYS 26 19.411 20.503 28.563 182 H LYS 27 H LYS 27 20.045 24.230 26.193 183 HA LYS 27 HA LYS 27 22.438 22.776 25.299 184 HB2 LYS 27 HB2 LYS 27 21.808 22.803 22.963 185 HB3 LYS 27 HB3 LYS 27 20.632 21.869 23.866 186 HG2 LYS 27 HG2 LYS 27 19.083 23.843 23.851 187 HG3 LYS 27 HG3 LYS 27 20.264 24.753 22.903 188 HD2 LYS 27 HD2 LYS 27 18.861 22.198 22.059 189 HD3 LYS 27 HD3 LYS 27 18.463 23.809 21.501 190 HE2 LYS 27 HE2 LYS 27 21.112 22.370 21.000 191 HE3 LYS 27 HE3 LYS 27 19.789 22.511 19.850 192 HZ1 LYS 27 HZ1 LYS 27 21.362 24.800 20.910 193 HZ2 LYS 27 HZ2 LYS 27 21.423 24.197 19.397 194 HZ3 LYS 27 HZ3 LYS 27 20.054 24.925 19.911 195 H CYS 28 H CYS 28 23.720 24.064 23.791 196 HA CYS 28 HA CYS 28 23.734 26.868 24.527 197 HB2 CYS 28 HB2 CYS 28 25.730 25.279 24.049 198 HB3 CYS 28 HB3 CYS 28 25.420 25.635 22.348 199 H ILE 29 H ILE 29 23.861 28.603 22.903 200 HA ILE 29 HA ILE 29 21.323 28.588 21.499 201 HB ILE 29 HB ILE 29 22.054 30.401 22.961 202 HG12 ILE 29 HG12 ILE 29 21.538 31.395 20.133 203 HG13 ILE 29 HG13 ILE 29 20.318 30.746 21.237 204 HG21 ILE 29 HG21 ILE 29 24.468 30.450 22.303 205 HG22 ILE 29 HG22 ILE 29 23.998 31.243 20.783 206 HG23 ILE 29 HG23 ILE 29 23.708 32.041 22.335 207 HD11 ILE 29 HD11 ILE 29 20.180 33.118 21.355 208 HD12 ILE 29 HD12 ILE 29 20.870 32.541 22.885 209 HD13 ILE 29 HD13 ILE 29 21.919 33.286 21.650 210 HA PRO 30 HA PRO 30 23.092 27.738 17.495 211 HB2 PRO 30 HB2 PRO 30 20.990 28.289 15.834 212 HB3 PRO 30 HB3 PRO 30 21.024 26.883 16.944 213 HG2 PRO 30 HG2 PRO 30 19.746 29.602 17.412 214 HG3 PRO 30 HG3 PRO 30 18.998 27.983 17.610 215 HD2 PRO 30 HD2 PRO 30 20.046 29.313 19.706 216 HD3 PRO 30 HD3 PRO 30 20.260 27.554 19.575 217 H ARG 31 H ARG 31 23.595 28.736 15.407 218 HA ARG 31 HA ARG 31 23.870 31.727 15.468 219 HB2 ARG 31 HB2 ARG 31 25.837 29.747 14.263 220 HB3 ARG 31 HB3 ARG 31 26.041 31.486 14.411 221 HG2 ARG 31 HG2 ARG 31 25.967 29.474 16.703 222 HG3 ARG 31 HG3 ARG 31 27.406 30.237 16.036 223 HD2 ARG 31 HD2 ARG 31 26.716 32.426 16.823 224 HD3 ARG 31 HD3 ARG 31 25.146 31.791 17.349 225 HE ARG 31 HE ARG 31 27.084 30.259 18.676 226 HH11 ARG 31 HH21 ARG 31 25.969 33.597 18.729 227 HH12 ARG 31 HH22 ARG 31 26.194 33.721 20.459 228 HH21 ARG 31 HH11 ARG 31 27.588 30.618 20.818 229 HH22 ARG 31 HH12 ARG 31 27.264 32.196 21.531 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 9.188 21.939 34.371 2 H2 GLY 1 H2 GLY 1 9.147 21.627 35.986 3 H3 GLY 1 H3 GLY 1 10.579 21.574 35.193 4 HA2 GLY 1 HA2 GLY 1 8.957 24.025 35.406 5 HA3 GLY 1 HA3 GLY 1 10.261 23.596 36.551 6 H SER 2 H SER 2 11.455 25.475 35.950 7 HA SER 2 HA SER 2 13.001 25.055 33.443 8 HB2 SER 2 HB2 SER 2 13.676 27.305 33.475 9 HB3 SER 2 HB3 SER 2 11.933 27.332 33.772 10 HG SER 2 HG SER 2 12.374 27.595 35.986 11 H GLY 3 H GLY 3 16.134 24.865 35.282 12 HA2 GLY 3 HA2 GLY 3 14.835 25.265 32.592 13 HA3 GLY 3 HA3 GLY 3 16.279 26.112 33.142 14 H CYS 4 H CYS 4 18.080 24.693 33.915 15 HA CYS 4 HA CYS 4 18.189 21.932 32.889 16 HB2 CYS 4 HB2 CYS 4 18.951 23.521 31.091 17 HB3 CYS 4 HB3 CYS 4 20.227 24.065 32.141 18 H MET 5 H MET 5 21.098 23.577 33.746 19 HA MET 5 HA MET 5 20.708 23.782 36.585 20 HB2 MET 5 HB2 MET 5 22.905 21.915 35.594 21 HB3 MET 5 HB3 MET 5 22.793 22.575 37.218 22 HG2 MET 5 HG2 MET 5 20.644 21.351 37.520 23 HG3 MET 5 HG3 MET 5 20.868 20.636 35.914 24 HE1 MET 5 HE1 MET 5 20.315 18.867 38.339 25 HE2 MET 5 HE2 MET 5 20.736 18.144 36.768 26 HE3 MET 5 HE3 MET 5 21.554 17.595 38.249 27 H LYS 6 H LYS 6 22.030 25.489 37.332 28 HA LYS 6 HA LYS 6 22.888 27.346 35.354 29 HB2 LYS 6 HB2 LYS 6 22.001 27.884 37.591 30 HB3 LYS 6 HB3 LYS 6 23.464 27.253 38.345 31 HG2 LYS 6 HG2 LYS 6 24.839 28.981 37.304 32 HG3 LYS 6 HG3 LYS 6 23.444 29.575 36.382 33 HD2 LYS 6 HD2 LYS 6 23.680 29.628 39.430 34 HD3 LYS 6 HD3 LYS 6 24.009 30.973 38.348 35 HE2 LYS 6 HE2 LYS 6 21.574 30.476 37.428 36 HE3 LYS 6 HE3 LYS 6 21.353 29.662 38.996 37 HZ1 LYS 6 HZ1 LYS 6 22.097 32.481 38.538 38 HZ2 LYS 6 HZ2 LYS 6 20.646 31.936 39.106 39 HZ3 LYS 6 HZ3 LYS 6 22.035 31.825 40.030 40 H GLU 7 H GLU 7 24.864 25.272 37.461 41 HA GLU 7 HA GLU 7 27.429 26.320 36.596 42 HB2 GLU 7 HB2 GLU 7 26.653 23.692 37.928 43 HB3 GLU 7 HB3 GLU 7 28.310 24.238 37.692 44 HG2 GLU 7 HG2 GLU 7 27.868 26.261 39.044 45 HG3 GLU 7 HG3 GLU 7 26.204 25.731 39.342 46 H TYR 8 H TYR 8 25.527 23.465 35.706 47 HA TYR 8 HA TYR 8 27.295 22.199 33.876 48 HB2 TYR 8 HB2 TYR 8 25.266 21.167 34.810 49 HB3 TYR 8 HB3 TYR 8 24.269 22.388 34.029 50 HD1 TYR 8 HD2 TYR 8 26.300 19.369 33.437 51 HD2 TYR 8 HD1 TYR 8 23.666 22.322 31.718 52 HE1 TYR 8 HE2 TYR 8 26.050 17.957 31.374 53 HE2 TYR 8 HE1 TYR 8 23.455 20.947 29.659 54 HH TYR 8 HH TYR 8 24.110 19.083 28.580 55 H CYS 9 H CYS 9 24.762 24.672 33.344 56 HA CYS 9 HA CYS 9 25.144 24.965 30.533 57 HB2 CYS 9 HB2 CYS 9 23.935 26.701 32.712 58 HB3 CYS 9 HB3 CYS 9 23.999 27.232 31.035 59 H ALA 10 H ALA 10 26.598 26.840 33.269 60 HA ALA 10 HA ALA 10 28.257 28.466 31.571 61 HB1 ALA 10 HB1 ALA 10 27.778 29.020 33.909 62 HB2 ALA 10 HB2 ALA 10 28.625 27.560 34.459 63 HB3 ALA 10 HB3 ALA 10 29.524 28.863 33.652 64 H GLY 11 H GLY 11 28.606 25.127 32.724 65 HA2 GLY 11 HA2 GLY 11 31.292 24.711 31.785 66 HA3 GLY 11 HA3 GLY 11 30.095 23.482 32.185 67 H GLN 12 H GLN 12 28.402 25.067 29.870 68 HA GLN 12 HA GLN 12 29.910 23.930 27.569 69 HB2 GLN 12 HB2 GLN 12 28.012 22.926 26.568 70 HB3 GLN 12 HB3 GLN 12 28.366 22.211 28.137 71 HG2 GLN 12 HG2 GLN 12 26.490 23.197 29.147 72 HG3 GLN 12 HG3 GLN 12 26.328 24.415 27.882 73 HE21 GLN 12 HE22 GLN 12 26.169 20.747 28.162 74 HE22 GLN 12 HE21 GLN 12 24.732 20.687 27.144 75 H CYS 13 H CYS 13 28.240 26.721 28.628 76 HA CYS 13 HA CYS 13 28.381 27.815 25.864 77 HB2 CYS 13 HB2 CYS 13 26.067 26.774 26.735 78 HB3 CYS 13 HB3 CYS 13 25.931 28.339 27.524 79 H ARG 14 H ARG 14 28.418 30.179 25.771 80 HA ARG 14 HA ARG 14 28.806 31.688 28.281 81 HB2 ARG 14 HB2 ARG 14 31.075 32.396 27.663 82 HB3 ARG 14 HB3 ARG 14 30.897 30.710 28.120 83 HG2 ARG 14 HG2 ARG 14 30.906 30.110 25.624 84 HG3 ARG 14 HG3 ARG 14 31.274 31.804 25.292 85 HD2 ARG 14 HD2 ARG 14 33.283 30.444 25.245 86 HD3 ARG 14 HD3 ARG 14 33.377 31.591 26.592 87 HE ARG 14 HE ARG 14 32.306 29.297 27.738 88 HH11 ARG 14 HH11 ARG 14 35.271 29.563 25.825 89 HH12 ARG 14 HH12 ARG 14 36.034 28.373 26.868 90 HH21 ARG 14 HH21 ARG 14 33.346 27.812 28.827 91 HH22 ARG 14 HH22 ARG 14 35.010 27.422 28.455 92 H GLY 15 H GLY 15 29.010 33.872 28.176 93 HA2 GLY 15 HA2 GLY 15 28.255 35.970 27.258 94 HA3 GLY 15 HA3 GLY 15 27.616 35.123 25.837 95 H LYS 16 H LYS 16 26.315 36.845 28.054 96 HA LYS 16 HA LYS 16 24.908 35.121 29.833 97 HB2 LYS 16 HB2 LYS 16 25.456 37.510 30.173 98 HB3 LYS 16 HB3 LYS 16 24.220 37.983 29.019 99 HG2 LYS 16 HG2 LYS 16 23.525 36.277 31.450 100 HG3 LYS 16 HG3 LYS 16 23.787 38.016 31.614 101 HD2 LYS 16 HD2 LYS 16 22.031 38.432 29.880 102 HD3 LYS 16 HD3 LYS 16 21.631 36.716 29.887 103 HE2 LYS 16 HE2 LYS 16 21.529 38.562 32.313 104 HE3 LYS 16 HE3 LYS 16 20.145 38.139 31.301 105 HZ1 LYS 16 HZ1 LYS 16 20.522 35.794 31.913 106 HZ2 LYS 16 HZ2 LYS 16 21.709 36.236 32.973 107 HZ3 LYS 16 HZ3 LYS 16 20.165 36.727 33.201 108 H VAL 17 H VAL 17 23.931 36.331 26.653 109 HA VAL 17 HA VAL 17 21.221 35.284 26.808 110 HB VAL 17 HB VAL 17 21.912 37.129 25.318 111 HG11 VAL 17 HG11 VAL 17 23.097 35.018 23.483 112 HG12 VAL 17 HG12 VAL 17 22.925 36.753 23.174 113 HG13 VAL 17 HG13 VAL 17 24.042 36.192 24.427 114 HG21 VAL 17 HG21 VAL 17 20.621 34.802 23.854 115 HG22 VAL 17 HG22 VAL 17 19.794 35.893 24.990 116 HG23 VAL 17 HG23 VAL 17 20.459 36.526 23.472 117 H SER 18 H SER 18 24.323 33.984 25.665 118 HA SER 18 HA SER 18 23.360 31.609 24.494 119 HB2 SER 18 HB2 SER 18 26.078 32.031 25.769 120 HB3 SER 18 HB3 SER 18 25.667 31.140 24.309 121 HG SER 18 HG SER 18 26.491 33.047 23.570 122 H GLN 19 H GLN 19 24.757 32.304 27.732 123 HA GLN 19 HA GLN 19 24.101 29.759 28.911 124 HB2 GLN 19 HB2 GLN 19 24.622 32.537 30.034 125 HB3 GLN 19 HB3 GLN 19 24.343 31.121 31.061 126 HG2 GLN 19 HG2 GLN 19 26.235 29.956 30.246 127 HG3 GLN 19 HG3 GLN 19 26.440 31.035 28.874 128 HE21 GLN 19 HE22 GLN 19 28.609 30.431 30.228 129 HE22 GLN 19 HE21 GLN 19 29.200 31.896 30.996 130 H ASP 20 H ASP 20 22.092 32.719 28.514 131 HA ASP 20 HA ASP 20 19.831 31.766 30.005 132 HB2 ASP 20 HB2 ASP 20 20.063 34.114 29.387 133 HB3 ASP 20 HB3 ASP 20 19.987 33.702 27.674 134 H TYR 21 H TYR 21 20.680 31.403 26.499 135 HA TYR 21 HA TYR 21 18.434 29.847 25.764 136 HB2 TYR 21 HB2 TYR 21 20.459 30.686 24.364 137 HB3 TYR 21 HB3 TYR 21 21.225 29.175 24.812 138 HD1 TYR 21 HD2 TYR 21 20.112 26.924 23.975 139 HD2 TYR 21 HD1 TYR 21 18.745 30.854 22.757 140 HE1 TYR 21 HE2 TYR 21 18.904 25.930 22.080 141 HE2 TYR 21 HE1 TYR 21 17.524 29.817 20.853 142 HH TYR 21 HH TYR 21 17.639 26.305 20.218 143 H CYS 22 H CYS 22 21.361 28.805 27.569 144 HA CYS 22 HA CYS 22 20.548 26.001 27.521 145 HB2 CYS 22 HB2 CYS 22 22.865 26.717 27.659 146 HB3 CYS 22 HB3 CYS 22 22.579 27.433 29.243 147 H LEU 23 H LEU 23 19.982 28.668 29.781 148 HA LEU 23 HA LEU 23 18.480 27.088 31.698 149 HB2 LEU 23 HB2 LEU 23 19.099 29.948 31.105 150 HB3 LEU 23 HB3 LEU 23 17.603 29.651 31.984 151 HG LEU 23 HG LEU 23 18.779 28.483 33.767 152 HD11 LEU 23 HD11 LEU 23 21.345 29.035 32.212 153 HD12 LEU 23 HD12 LEU 23 21.258 28.450 33.884 154 HD13 LEU 23 HD13 LEU 23 20.653 27.435 32.573 155 HD21 LEU 23 HD21 LEU 23 20.116 31.105 32.997 156 HD22 LEU 23 HD22 LEU 23 18.578 30.931 33.872 157 HD23 LEU 23 HD23 LEU 23 20.090 30.401 34.631 158 H LYS 24 H LYS 24 17.580 28.423 28.582 159 HA LYS 24 HA LYS 24 14.693 27.825 29.080 160 HB2 LYS 24 HB2 LYS 24 16.177 29.271 26.849 161 HB3 LYS 24 HB3 LYS 24 14.441 28.906 26.802 162 HG2 LYS 24 HG2 LYS 24 14.141 30.143 28.928 163 HG3 LYS 24 HG3 LYS 24 15.865 30.571 28.901 164 HD2 LYS 24 HD2 LYS 24 15.591 31.871 26.882 165 HD3 LYS 24 HD3 LYS 24 13.973 31.228 26.607 166 HE2 LYS 24 HE2 LYS 24 13.852 33.523 27.404 167 HE3 LYS 24 HE3 LYS 24 13.069 32.397 28.519 168 HZ1 LYS 24 HZ1 LYS 24 14.504 34.136 29.554 169 HZ2 LYS 24 HZ2 LYS 24 14.897 32.607 30.026 170 HZ3 LYS 24 HZ3 LYS 24 15.838 33.403 28.952 171 H HIS 25 H HIS 25 17.344 26.331 27.539 172 HA HIS 25 HA HIS 25 15.511 24.339 26.208 173 HB2 HIS 25 HB2 HIS 25 18.014 25.593 25.018 174 HB3 HIS 25 HB3 HIS 25 16.997 24.389 24.264 175 HD2 HIS 25 HD2 HIS 25 17.005 28.145 25.119 176 HE1 HIS 25 HE1 HIS 25 14.054 27.522 22.140 177 HE2 HIS 25 HE2 HIS 25 15.373 29.281 23.447 178 H CYS 26 H CYS 26 18.162 24.522 28.373 179 HA CYS 26 HA CYS 26 19.816 23.207 28.993 180 HB2 CYS 26 HB2 CYS 26 17.662 21.945 29.537 181 HB3 CYS 26 HB3 CYS 26 18.119 20.818 28.280 182 H LYS 27 H LYS 27 20.108 24.166 26.477 183 HA LYS 27 HA LYS 27 22.163 22.421 25.222 184 HB2 LYS 27 HB2 LYS 27 19.968 23.996 23.801 185 HB3 LYS 27 HB3 LYS 27 21.301 23.177 22.996 186 HG2 LYS 27 HG2 LYS 27 20.440 21.016 23.481 187 HG3 LYS 27 HG3 LYS 27 19.298 21.639 24.681 188 HD2 LYS 27 HD2 LYS 27 18.127 22.932 22.868 189 HD3 LYS 27 HD3 LYS 27 19.212 22.185 21.691 190 HE2 LYS 27 HE2 LYS 27 17.230 20.827 21.678 191 HE3 LYS 27 HE3 LYS 27 18.494 19.919 22.523 192 HZ1 LYS 27 HZ1 LYS 27 16.151 21.275 23.710 193 HZ2 LYS 27 HZ2 LYS 27 16.614 19.687 23.829 194 HZ3 LYS 27 HZ3 LYS 27 17.442 20.850 24.630 195 H CYS 28 H CYS 28 23.712 23.748 23.970 196 HA CYS 28 HA CYS 28 23.804 26.580 24.777 197 HB2 CYS 28 HB2 CYS 28 25.847 25.132 24.549 198 HB3 CYS 28 HB3 CYS 28 25.605 25.196 22.804 199 H ILE 29 H ILE 29 24.100 28.242 23.080 200 HA ILE 29 HA ILE 29 21.614 28.348 21.599 201 HB ILE 29 HB ILE 29 22.455 30.162 22.999 202 HG12 ILE 29 HG12 ILE 29 22.238 31.162 20.144 203 HG13 ILE 29 HG13 ILE 29 20.866 30.580 21.088 204 HG21 ILE 29 HG21 ILE 29 24.867 29.966 22.526 205 HG22 ILE 29 HG22 ILE 29 24.604 30.598 20.890 206 HG23 ILE 29 HG23 ILE 29 24.295 31.617 22.299 207 HD11 ILE 29 HD11 ILE 29 22.597 32.979 21.782 208 HD12 ILE 29 HD12 ILE 29 20.919 32.981 21.220 209 HD13 ILE 29 HD13 ILE 29 21.312 32.318 22.817 210 HA PRO 30 HA PRO 30 23.661 27.866 17.562 211 HB2 PRO 30 HB2 PRO 30 21.555 27.805 15.911 212 HB3 PRO 30 HB3 PRO 30 21.805 26.517 17.133 213 HG2 PRO 30 HG2 PRO 30 19.992 28.939 17.307 214 HG3 PRO 30 HG3 PRO 30 19.600 27.237 17.698 215 HD2 PRO 30 HD2 PRO 30 20.357 29.121 19.573 216 HD3 PRO 30 HD3 PRO 30 20.639 27.366 19.766 217 H ARG 31 H ARG 31 24.070 28.998 15.651 218 HA ARG 31 HA ARG 31 23.334 31.899 15.523 219 HB2 ARG 31 HB2 ARG 31 25.600 30.446 14.101 220 HB3 ARG 31 HB3 ARG 31 25.187 32.157 13.982 221 HG2 ARG 31 HG2 ARG 31 25.616 32.319 16.514 222 HG3 ARG 31 HG3 ARG 31 26.259 30.673 16.418 223 HD2 ARG 31 HD2 ARG 31 28.099 32.243 16.308 224 HD3 ARG 31 HD3 ARG 31 27.916 31.461 14.724 225 HE ARG 31 HE ARG 31 26.460 33.999 15.018 226 HH11 ARG 31 HH11 ARG 31 29.590 32.740 13.971 227 HH12 ARG 31 HH12 ARG 31 29.734 34.022 12.789 228 HH21 ARG 31 HH21 ARG 31 26.731 35.488 13.602 229 HH22 ARG 31 HH22 ARG 31 28.220 35.647 12.683 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 12.441 25.858 28.455 2 H2 GLY 1 H2 GLY 1 10.889 26.392 28.522 3 H3 GLY 1 H3 GLY 1 11.224 24.772 28.579 4 HA2 GLY 1 HA2 GLY 1 10.659 25.588 30.781 5 HA3 GLY 1 HA3 GLY 1 12.311 24.949 30.665 6 H SER 2 H SER 2 12.545 26.311 32.634 7 HA SER 2 HA SER 2 13.580 28.997 31.834 8 HB2 SER 2 HB2 SER 2 12.787 30.055 33.804 9 HB3 SER 2 HB3 SER 2 11.409 29.282 33.015 10 HG SER 2 HG SER 2 11.508 27.602 34.522 11 H GLY 3 H GLY 3 14.329 26.005 33.267 12 HA2 GLY 3 HA2 GLY 3 17.060 26.868 33.425 13 HA3 GLY 3 HA3 GLY 3 16.448 26.457 35.033 14 H CYS 4 H CYS 4 18.542 25.093 33.976 15 HA CYS 4 HA CYS 4 17.414 22.364 33.817 16 HB2 CYS 4 HB2 CYS 4 18.245 23.131 31.509 17 HB3 CYS 4 HB3 CYS 4 19.865 23.086 32.174 18 H MET 5 H MET 5 20.828 23.366 33.809 19 HA MET 5 HA MET 5 20.895 23.647 36.706 20 HB2 MET 5 HB2 MET 5 22.725 21.664 35.278 21 HB3 MET 5 HB3 MET 5 23.106 22.406 36.830 22 HG2 MET 5 HG2 MET 5 20.948 21.453 37.741 23 HG3 MET 5 HG3 MET 5 20.772 20.578 36.215 24 HE1 MET 5 HE1 MET 5 22.505 20.816 39.667 25 HE2 MET 5 HE2 MET 5 23.885 19.710 39.539 26 HE3 MET 5 HE3 MET 5 23.916 21.264 38.682 27 H LYS 6 H LYS 6 22.075 25.484 37.135 28 HA LYS 6 HA LYS 6 22.977 27.018 34.903 29 HB2 LYS 6 HB2 LYS 6 22.022 27.839 37.142 30 HB3 LYS 6 HB3 LYS 6 23.666 27.657 37.793 31 HG2 LYS 6 HG2 LYS 6 24.507 29.216 36.018 32 HG3 LYS 6 HG3 LYS 6 22.888 29.299 35.335 33 HD2 LYS 6 HD2 LYS 6 22.997 31.268 36.552 34 HD3 LYS 6 HD3 LYS 6 22.102 30.191 37.609 35 HE2 LYS 6 HE2 LYS 6 23.673 31.446 38.918 36 HE3 LYS 6 HE3 LYS 6 24.223 29.763 38.909 37 HZ1 LYS 6 HZ1 LYS 6 25.882 31.671 38.450 38 HZ2 LYS 6 HZ2 LYS 6 25.994 30.335 37.495 39 HZ3 LYS 6 HZ3 LYS 6 25.278 31.694 36.930 40 H GLU 7 H GLU 7 24.800 25.070 37.221 41 HA GLU 7 HA GLU 7 27.429 25.926 36.382 42 HB2 GLU 7 HB2 GLU 7 26.392 23.360 37.643 43 HB3 GLU 7 HB3 GLU 7 28.104 23.730 37.445 44 HG2 GLU 7 HG2 GLU 7 27.990 25.665 38.881 45 HG3 GLU 7 HG3 GLU 7 26.238 25.666 38.905 46 H TYR 8 H TYR 8 25.219 23.472 35.103 47 HA TYR 8 HA TYR 8 27.108 22.296 33.216 48 HB2 TYR 8 HB2 TYR 8 25.107 21.099 33.945 49 HB3 TYR 8 HB3 TYR 8 24.070 22.378 33.337 50 HD1 TYR 8 HD2 TYR 8 26.586 19.856 32.290 51 HD2 TYR 8 HD1 TYR 8 23.283 22.347 31.107 52 HE1 TYR 8 HE2 TYR 8 26.437 18.638 30.091 53 HE2 TYR 8 HE1 TYR 8 23.139 21.149 28.918 54 HH TYR 8 HH TYR 8 24.017 19.472 27.586 55 H CYS 9 H CYS 9 24.442 24.702 32.938 56 HA CYS 9 HA CYS 9 24.981 25.325 30.239 57 HB2 CYS 9 HB2 CYS 9 23.511 26.773 32.463 58 HB3 CYS 9 HB3 CYS 9 23.521 27.348 30.802 59 H ALA 10 H ALA 10 26.253 27.033 33.147 60 HA ALA 10 HA ALA 10 27.676 28.983 31.557 61 HB1 ALA 10 HB1 ALA 10 26.915 29.408 33.868 62 HB2 ALA 10 HB2 ALA 10 28.005 28.135 34.457 63 HB3 ALA 10 HB3 ALA 10 28.675 29.604 33.717 64 H GLY 11 H GLY 11 28.378 25.695 32.376 65 HA2 GLY 11 HA2 GLY 11 31.284 25.889 31.926 66 HA3 GLY 11 HA3 GLY 11 30.315 24.433 32.147 67 H GLN 12 H GLN 12 28.464 24.473 30.190 68 HA GLN 12 HA GLN 12 30.046 23.800 27.835 69 HB2 GLN 12 HB2 GLN 12 27.036 23.689 28.255 70 HB3 GLN 12 HB3 GLN 12 27.951 22.861 26.998 71 HG2 GLN 12 HG2 GLN 12 28.140 22.291 29.986 72 HG3 GLN 12 HG3 GLN 12 27.235 21.361 28.807 73 HE21 GLN 12 HE22 GLN 12 28.349 19.764 27.600 74 HE22 GLN 12 HE21 GLN 12 30.066 19.461 27.841 75 H CYS 13 H CYS 13 28.194 26.626 28.688 76 HA CYS 13 HA CYS 13 28.319 27.620 25.877 77 HB2 CYS 13 HB2 CYS 13 26.069 26.570 26.795 78 HB3 CYS 13 HB3 CYS 13 25.938 28.106 27.652 79 H ARG 14 H ARG 14 28.480 29.899 25.636 80 HA ARG 14 HA ARG 14 29.041 31.500 28.107 81 HB2 ARG 14 HB2 ARG 14 30.962 31.435 25.785 82 HB3 ARG 14 HB3 ARG 14 31.137 32.187 27.371 83 HG2 ARG 14 HG2 ARG 14 32.515 30.357 27.653 84 HG3 ARG 14 HG3 ARG 14 31.012 29.696 28.279 85 HD2 ARG 14 HD2 ARG 14 30.675 28.898 25.747 86 HD3 ARG 14 HD3 ARG 14 32.395 29.235 25.623 87 HE ARG 14 HE ARG 14 31.942 27.548 27.896 88 HH11 ARG 14 HH11 ARG 14 32.405 27.418 24.437 89 HH12 ARG 14 HH12 ARG 14 32.734 25.696 24.523 90 HH21 ARG 14 HH21 ARG 14 32.092 25.326 27.798 91 HH22 ARG 14 HH22 ARG 14 32.291 24.531 26.245 92 H GLY 15 H GLY 15 29.165 33.700 27.899 93 HA2 GLY 15 HA2 GLY 15 28.368 35.782 27.013 94 HA3 GLY 15 HA3 GLY 15 27.572 34.924 25.677 95 H LYS 16 H LYS 16 26.544 36.756 27.938 96 HA LYS 16 HA LYS 16 25.265 35.238 29.957 97 HB2 LYS 16 HB2 LYS 16 25.701 37.663 30.086 98 HB3 LYS 16 HB3 LYS 16 24.481 37.973 28.844 99 HG2 LYS 16 HG2 LYS 16 22.690 37.104 30.296 100 HG3 LYS 16 HG3 LYS 16 23.898 36.644 31.513 101 HD2 LYS 16 HD2 LYS 16 24.530 39.005 31.835 102 HD3 LYS 16 HD3 LYS 16 23.325 39.489 30.634 103 HE2 LYS 16 HE2 LYS 16 22.599 37.873 33.113 104 HE3 LYS 16 HE3 LYS 16 22.696 39.637 33.138 105 HZ1 LYS 16 HZ1 LYS 16 20.441 38.921 32.724 106 HZ2 LYS 16 HZ2 LYS 16 21.018 39.751 31.444 107 HZ3 LYS 16 HZ3 LYS 16 20.849 38.118 31.353 108 H VAL 17 H VAL 17 24.021 36.153 26.763 109 HA VAL 17 HA VAL 17 21.355 35.102 27.362 110 HB VAL 17 HB VAL 17 22.477 36.211 24.775 111 HG11 VAL 17 HG11 VAL 17 19.601 35.664 25.685 112 HG12 VAL 17 HG12 VAL 17 20.066 36.573 24.224 113 HG13 VAL 17 HG13 VAL 17 20.463 34.864 24.343 114 HG21 VAL 17 HG21 VAL 17 21.198 38.252 25.450 115 HG22 VAL 17 HG22 VAL 17 20.828 37.489 27.016 116 HG23 VAL 17 HG23 VAL 17 22.498 37.893 26.574 117 H SER 18 H SER 18 24.293 33.925 25.726 118 HA SER 18 HA SER 18 23.194 31.546 24.612 119 HB2 SER 18 HB2 SER 18 25.932 31.821 25.863 120 HB3 SER 18 HB3 SER 18 25.453 30.892 24.458 121 HG SER 18 HG SER 18 26.675 32.859 24.159 122 H GLN 19 H GLN 19 24.857 32.183 27.783 123 HA GLN 19 HA GLN 19 24.243 29.681 28.981 124 HB2 GLN 19 HB2 GLN 19 24.679 32.463 30.145 125 HB3 GLN 19 HB3 GLN 19 24.498 31.005 31.148 126 HG2 GLN 19 HG2 GLN 19 26.364 29.926 30.016 127 HG3 GLN 19 HG3 GLN 19 26.559 31.277 28.912 128 HE21 GLN 19 HE22 GLN 19 28.742 30.496 30.063 129 HE22 GLN 19 HE21 GLN 19 29.284 31.748 31.173 130 H ASP 20 H ASP 20 22.198 32.646 28.865 131 HA ASP 20 HA ASP 20 20.050 31.538 30.387 132 HB2 ASP 20 HB2 ASP 20 20.299 33.936 29.962 133 HB3 ASP 20 HB3 ASP 20 19.985 33.672 28.240 134 H TYR 21 H TYR 21 20.640 31.426 26.799 135 HA TYR 21 HA TYR 21 18.238 30.090 26.085 136 HB2 TYR 21 HB2 TYR 21 20.084 31.006 24.584 137 HB3 TYR 21 HB3 TYR 21 20.986 29.544 24.916 138 HD1 TYR 21 HD2 TYR 21 19.847 27.216 24.198 139 HD2 TYR 21 HD1 TYR 21 18.459 31.110 22.905 140 HE1 TYR 21 HE2 TYR 21 18.792 26.207 22.211 141 HE2 TYR 21 HE1 TYR 21 17.364 30.049 20.939 142 HH TYR 21 HH TYR 21 17.083 28.112 19.731 143 H CYS 22 H CYS 22 21.209 28.784 27.555 144 HA CYS 22 HA CYS 22 20.316 26.005 27.324 145 HB2 CYS 22 HB2 CYS 22 22.652 26.553 27.276 146 HB3 CYS 22 HB3 CYS 22 22.568 27.333 28.842 147 H LEU 23 H LEU 23 20.009 28.525 29.821 148 HA LEU 23 HA LEU 23 18.660 26.809 31.735 149 HB2 LEU 23 HB2 LEU 23 19.073 29.723 31.233 150 HB3 LEU 23 HB3 LEU 23 17.621 29.308 32.139 151 HG LEU 23 HG LEU 23 18.886 28.227 33.863 152 HD11 LEU 23 HD11 LEU 23 20.726 27.182 32.643 153 HD12 LEU 23 HD12 LEU 23 21.400 28.783 32.244 154 HD13 LEU 23 HD13 LEU 23 21.346 28.213 33.926 155 HD21 LEU 23 HD21 LEU 23 18.688 30.693 33.935 156 HD22 LEU 23 HD22 LEU 23 20.165 30.130 34.727 157 HD23 LEU 23 HD23 LEU 23 20.247 30.845 33.097 158 H LYS 24 H LYS 24 17.443 28.823 29.010 159 HA LYS 24 HA LYS 24 14.688 28.104 29.326 160 HB2 LYS 24 HB2 LYS 24 16.206 28.985 26.843 161 HB3 LYS 24 HB3 LYS 24 14.458 28.910 26.974 162 HG2 LYS 24 HG2 LYS 24 16.240 30.748 28.635 163 HG3 LYS 24 HG3 LYS 24 15.368 31.196 27.180 164 HD2 LYS 24 HD2 LYS 24 13.238 30.541 28.373 165 HD3 LYS 24 HD3 LYS 24 14.178 30.363 29.855 166 HE2 LYS 24 HE2 LYS 24 13.979 32.917 28.183 167 HE3 LYS 24 HE3 LYS 24 13.021 32.573 29.628 168 HZ1 LYS 24 HZ1 LYS 24 14.871 33.902 30.299 169 HZ2 LYS 24 HZ2 LYS 24 15.156 32.394 30.859 170 HZ3 LYS 24 HZ3 LYS 24 15.976 32.959 29.557 171 H HIS 25 H HIS 25 17.221 26.459 27.470 172 HA HIS 25 HA HIS 25 15.243 24.396 26.558 173 HB2 HIS 25 HB2 HIS 25 17.541 25.766 25.113 174 HB3 HIS 25 HB3 HIS 25 16.592 24.491 24.410 175 HD2 HIS 25 HD2 HIS 25 16.768 28.088 24.349 176 HE1 HIS 25 HE1 HIS 25 12.575 27.457 23.992 177 HE2 HIS 25 HE2 HIS 25 14.458 29.160 23.725 178 H CYS 26 H CYS 26 18.002 24.453 28.494 179 HA CYS 26 HA CYS 26 19.752 23.160 28.872 180 HB2 CYS 26 HB2 CYS 26 17.680 21.829 29.607 181 HB3 CYS 26 HB3 CYS 26 18.124 20.703 28.323 182 H LYS 27 H LYS 27 19.858 24.105 26.260 183 HA LYS 27 HA LYS 27 22.137 22.464 25.374 184 HB2 LYS 27 HB2 LYS 27 21.525 22.843 22.955 185 HB3 LYS 27 HB3 LYS 27 20.575 21.609 23.778 186 HG2 LYS 27 HG2 LYS 27 18.631 22.959 23.830 187 HG3 LYS 27 HG3 LYS 27 19.539 24.453 23.619 188 HD2 LYS 27 HD2 LYS 27 18.298 23.970 21.638 189 HD3 LYS 27 HD3 LYS 27 20.028 23.900 21.285 190 HE2 LYS 27 HE2 LYS 27 19.997 21.487 21.157 191 HE3 LYS 27 HE3 LYS 27 18.406 21.418 21.932 192 HZ1 LYS 27 HZ1 LYS 27 17.455 22.495 19.998 193 HZ2 LYS 27 HZ2 LYS 27 18.908 22.459 19.191 194 HZ3 LYS 27 HZ3 LYS 27 18.159 21.063 19.595 195 H CYS 28 H CYS 28 23.692 23.736 24.125 196 HA CYS 28 HA CYS 28 23.626 26.575 24.768 197 HB2 CYS 28 HB2 CYS 28 25.679 25.090 24.594 198 HB3 CYS 28 HB3 CYS 28 25.480 25.173 22.843 199 H ILE 29 H ILE 29 23.955 28.233 23.058 200 HA ILE 29 HA ILE 29 21.489 28.244 21.556 201 HB ILE 29 HB ILE 29 22.204 30.080 22.972 202 HG12 ILE 29 HG12 ILE 29 21.929 31.037 20.100 203 HG13 ILE 29 HG13 ILE 29 20.601 30.422 21.082 204 HG21 ILE 29 HG21 ILE 29 24.648 30.031 22.483 205 HG22 ILE 29 HG22 ILE 29 24.316 30.736 20.888 206 HG23 ILE 29 HG23 ILE 29 23.955 31.646 22.360 207 HD11 ILE 29 HD11 ILE 29 20.538 32.821 21.175 208 HD12 ILE 29 HD12 ILE 29 21.061 32.241 22.767 209 HD13 ILE 29 HD13 ILE 29 22.242 32.925 21.625 210 HA PRO 30 HA PRO 30 23.179 27.469 17.447 211 HB2 PRO 30 HB2 PRO 30 20.899 29.215 16.533 212 HB3 PRO 30 HB3 PRO 30 21.415 27.617 15.907 213 HG2 PRO 30 HG2 PRO 30 19.261 27.802 17.531 214 HG3 PRO 30 HG3 PRO 30 20.461 26.494 17.799 215 HD2 PRO 30 HD2 PRO 30 20.221 29.148 19.240 216 HD3 PRO 30 HD3 PRO 30 20.438 27.502 19.916 217 H ARG 31 H ARG 31 23.937 28.669 15.464 218 HA ARG 31 HA ARG 31 25.450 30.994 15.954 219 HB2 ARG 31 HB2 ARG 31 25.995 29.241 14.328 220 HB3 ARG 31 HB3 ARG 31 24.575 29.668 13.353 221 HG2 ARG 31 HG2 ARG 31 25.471 31.844 12.875 222 HG3 ARG 31 HG3 ARG 31 26.754 31.637 14.079 223 HD2 ARG 31 HD2 ARG 31 27.696 31.448 11.864 224 HD3 ARG 31 HD3 ARG 31 27.800 29.886 12.690 225 HE ARG 31 HE ARG 31 25.403 29.841 11.198 226 HH11 ARG 31 HH21 ARG 31 28.760 30.469 10.171 227 HH12 ARG 31 HH22 ARG 31 28.411 29.668 8.647 228 HH21 ARG 31 HH11 ARG 31 25.394 28.471 9.386 229 HH22 ARG 31 HH12 ARG 31 26.737 28.656 8.258 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 8.871 25.792 37.480 2 H2 GLY 1 H2 GLY 1 9.136 24.862 38.811 3 H3 GLY 1 H3 GLY 1 9.724 24.388 37.343 4 HA2 GLY 1 HA2 GLY 1 10.580 26.729 38.906 5 HA3 GLY 1 HA3 GLY 1 11.522 25.248 38.642 6 H SER 2 H SER 2 12.939 27.236 37.958 7 HA SER 2 HA SER 2 12.706 27.693 35.002 8 HB2 SER 2 HB2 SER 2 13.785 29.499 37.198 9 HB3 SER 2 HB3 SER 2 13.936 29.827 35.464 10 HG SER 2 HG SER 2 11.772 30.010 35.264 11 H GLY 3 H GLY 3 14.681 27.807 33.776 12 HA2 GLY 3 HA2 GLY 3 16.926 27.381 33.306 13 HA3 GLY 3 HA3 GLY 3 17.226 27.075 35.007 14 H CYS 4 H CYS 4 18.637 25.409 33.872 15 HA CYS 4 HA CYS 4 17.144 22.829 33.850 16 HB2 CYS 4 HB2 CYS 4 17.910 23.372 31.520 17 HB3 CYS 4 HB3 CYS 4 19.580 23.292 32.082 18 H MET 5 H MET 5 20.639 23.564 33.715 19 HA MET 5 HA MET 5 20.974 23.107 36.591 20 HB2 MET 5 HB2 MET 5 22.453 21.610 34.404 21 HB3 MET 5 HB3 MET 5 23.070 21.763 36.055 22 HG2 MET 5 HG2 MET 5 21.136 20.541 36.905 23 HG3 MET 5 HG3 MET 5 20.392 20.513 35.308 24 HE1 MET 5 HE1 MET 5 24.137 18.009 36.440 25 HE2 MET 5 HE2 MET 5 24.257 19.764 36.234 26 HE3 MET 5 HE3 MET 5 23.286 19.087 37.564 27 H LYS 6 H LYS 6 21.815 24.946 37.230 28 HA LYS 6 HA LYS 6 22.641 27.028 35.601 29 HB2 LYS 6 HB2 LYS 6 21.756 27.133 37.915 30 HB3 LYS 6 HB3 LYS 6 23.295 26.513 38.533 31 HG2 LYS 6 HG2 LYS 6 24.457 28.519 37.800 32 HG3 LYS 6 HG3 LYS 6 23.037 29.085 36.926 33 HD2 LYS 6 HD2 LYS 6 23.317 30.303 39.043 34 HD3 LYS 6 HD3 LYS 6 21.805 29.418 38.972 35 HE2 LYS 6 HE2 LYS 6 22.695 29.225 41.190 36 HE3 LYS 6 HE3 LYS 6 22.746 27.634 40.418 37 HZ1 LYS 6 HZ1 LYS 6 25.113 27.947 40.041 38 HZ2 LYS 6 HZ2 LYS 6 25.071 29.471 40.664 39 HZ3 LYS 6 HZ3 LYS 6 24.786 28.159 41.621 40 H GLU 7 H GLU 7 24.769 24.716 37.274 41 HA GLU 7 HA GLU 7 27.227 26.100 36.539 42 HB2 GLU 7 HB2 GLU 7 26.618 23.333 37.627 43 HB3 GLU 7 HB3 GLU 7 28.238 23.810 37.183 44 HG2 GLU 7 HG2 GLU 7 27.873 24.082 39.603 45 HG3 GLU 7 HG3 GLU 7 28.316 25.592 38.799 46 H TYR 8 H TYR 8 25.511 23.275 35.243 47 HA TYR 8 HA TYR 8 27.293 22.467 33.196 48 HB2 TYR 8 HB2 TYR 8 25.315 21.168 33.934 49 HB3 TYR 8 HB3 TYR 8 24.262 22.458 33.410 50 HD1 TYR 8 HD2 TYR 8 26.809 20.091 32.055 51 HD2 TYR 8 HD1 TYR 8 23.287 22.466 31.299 52 HE1 TYR 8 HE2 TYR 8 26.632 19.104 29.755 53 HE2 TYR 8 HE1 TYR 8 23.151 21.532 28.997 54 HH TYR 8 HH TYR 8 25.354 18.979 27.812 55 H CYS 9 H CYS 9 24.494 24.718 33.009 56 HA CYS 9 HA CYS 9 24.976 25.448 30.288 57 HB2 CYS 9 HB2 CYS 9 23.359 26.665 32.555 58 HB3 CYS 9 HB3 CYS 9 23.377 27.349 30.930 59 H ALA 10 H ALA 10 26.039 27.019 33.346 60 HA ALA 10 HA ALA 10 27.249 29.274 32.061 61 HB1 ALA 10 HB1 ALA 10 27.789 27.953 34.755 62 HB2 ALA 10 HB2 ALA 10 28.273 29.594 34.289 63 HB3 ALA 10 HB3 ALA 10 26.557 29.192 34.426 64 H GLY 11 H GLY 11 28.407 25.987 32.552 65 HA2 GLY 11 HA2 GLY 11 31.225 26.647 32.011 66 HA3 GLY 11 HA3 GLY 11 30.536 25.088 32.444 67 H GLN 12 H GLN 12 28.619 24.748 30.338 68 HA GLN 12 HA GLN 12 30.435 24.219 28.070 69 HB2 GLN 12 HB2 GLN 12 27.491 23.549 28.486 70 HB3 GLN 12 HB3 GLN 12 28.468 23.028 27.109 71 HG2 GLN 12 HG2 GLN 12 28.932 22.314 30.013 72 HG3 GLN 12 HG3 GLN 12 28.293 21.239 28.769 73 HE21 GLN 12 HE22 GLN 12 31.074 21.991 30.448 74 HE22 GLN 12 HE21 GLN 12 32.285 21.497 29.277 75 H CYS 13 H CYS 13 28.164 26.679 28.848 76 HA CYS 13 HA CYS 13 28.296 27.719 26.043 77 HB2 CYS 13 HB2 CYS 13 26.073 26.647 27.041 78 HB3 CYS 13 HB3 CYS 13 25.928 28.228 27.804 79 H ARG 14 H ARG 14 28.487 29.965 25.759 80 HA ARG 14 HA ARG 14 29.038 31.617 28.192 81 HB2 ARG 14 HB2 ARG 14 30.890 31.035 25.867 82 HB3 ARG 14 HB3 ARG 14 31.126 32.393 26.972 83 HG2 ARG 14 HG2 ARG 14 31.075 29.481 27.881 84 HG3 ARG 14 HG3 ARG 14 32.545 30.370 27.506 85 HD2 ARG 14 HD2 ARG 14 32.255 31.901 29.302 86 HD3 ARG 14 HD3 ARG 14 30.567 31.486 29.513 87 HE ARG 14 HE ARG 14 31.084 29.513 30.646 88 HH11 ARG 14 HH11 ARG 14 34.152 31.060 29.710 89 HH12 ARG 14 HH12 ARG 14 34.967 30.284 31.052 90 HH21 ARG 14 HH21 ARG 14 32.229 28.770 32.378 91 HH22 ARG 14 HH22 ARG 14 33.931 29.122 32.492 92 H GLY 15 H GLY 15 29.120 33.745 28.046 93 HA2 GLY 15 HA2 GLY 15 28.347 35.840 27.211 94 HA3 GLY 15 HA3 GLY 15 27.644 35.045 25.797 95 H LYS 16 H LYS 16 26.428 36.791 27.847 96 HA LYS 16 HA LYS 16 24.923 35.504 29.867 97 HB2 LYS 16 HB2 LYS 16 25.296 37.921 29.710 98 HB3 LYS 16 HB3 LYS 16 24.419 37.994 28.186 99 HG2 LYS 16 HG2 LYS 16 23.038 38.911 29.855 100 HG3 LYS 16 HG3 LYS 16 22.312 37.383 29.376 101 HD2 LYS 16 HD2 LYS 16 22.884 36.337 31.445 102 HD3 LYS 16 HD3 LYS 16 24.126 37.549 31.802 103 HE2 LYS 16 HE2 LYS 16 22.246 38.007 33.232 104 HE3 LYS 16 HE3 LYS 16 22.406 39.302 32.047 105 HZ1 LYS 16 HZ1 LYS 16 20.596 38.235 30.769 106 HZ2 LYS 16 HZ2 LYS 16 20.407 37.110 31.986 107 HZ3 LYS 16 HZ3 LYS 16 20.142 38.724 32.250 108 H VAL 17 H VAL 17 23.998 36.168 26.493 109 HA VAL 17 HA VAL 17 21.270 35.189 26.826 110 HB VAL 17 HB VAL 17 22.764 35.889 24.275 111 HG11 VAL 17 HG11 VAL 17 20.664 34.679 23.833 112 HG12 VAL 17 HG12 VAL 17 19.781 35.767 24.930 113 HG13 VAL 17 HG13 VAL 17 20.477 36.382 23.417 114 HG21 VAL 17 HG21 VAL 17 21.647 38.116 24.493 115 HG22 VAL 17 HG22 VAL 17 21.111 37.657 26.128 116 HG23 VAL 17 HG23 VAL 17 22.841 37.827 25.753 117 H SER 18 H SER 18 24.330 33.906 25.427 118 HA SER 18 HA SER 18 23.328 31.473 24.419 119 HB2 SER 18 HB2 SER 18 25.976 31.837 25.824 120 HB3 SER 18 HB3 SER 18 25.608 30.826 24.442 121 HG SER 18 HG SER 18 26.803 32.909 24.268 122 H GLN 19 H GLN 19 24.800 32.210 27.637 123 HA GLN 19 HA GLN 19 24.145 29.725 28.884 124 HB2 GLN 19 HB2 GLN 19 24.497 32.542 29.989 125 HB3 GLN 19 HB3 GLN 19 24.255 31.118 31.025 126 HG2 GLN 19 HG2 GLN 19 26.216 30.026 30.111 127 HG3 GLN 19 HG3 GLN 19 26.462 31.304 28.931 128 HE21 GLN 19 HE22 GLN 19 28.572 30.735 30.248 129 HE22 GLN 19 HE21 GLN 19 28.959 32.148 31.247 130 H ASP 20 H ASP 20 22.127 32.710 28.659 131 HA ASP 20 HA ASP 20 19.949 31.701 30.176 132 HB2 ASP 20 HB2 ASP 20 20.315 34.074 29.640 133 HB3 ASP 20 HB3 ASP 20 19.978 33.741 27.936 134 H TYR 21 H TYR 21 20.560 31.481 26.613 135 HA TYR 21 HA TYR 21 18.217 30.072 25.868 136 HB2 TYR 21 HB2 TYR 21 20.151 30.945 24.431 137 HB3 TYR 21 HB3 TYR 21 21.011 29.474 24.834 138 HD1 TYR 21 HD2 TYR 21 19.989 27.187 24.066 139 HD2 TYR 21 HD1 TYR 21 18.538 31.030 22.721 140 HE1 TYR 21 HE2 TYR 21 19.046 26.128 22.041 141 HE2 TYR 21 HE1 TYR 21 17.552 29.942 20.715 142 HH TYR 21 HH TYR 21 17.364 28.003 19.501 143 H CYS 22 H CYS 22 21.183 28.839 27.465 144 HA CYS 22 HA CYS 22 20.281 26.055 27.352 145 HB2 CYS 22 HB2 CYS 22 22.633 26.676 27.282 146 HB3 CYS 22 HB3 CYS 22 22.524 27.407 28.877 147 H LEU 23 H LEU 23 19.937 28.686 29.695 148 HA LEU 23 HA LEU 23 18.674 26.996 31.697 149 HB2 LEU 23 HB2 LEU 23 19.164 29.881 31.176 150 HB3 LEU 23 HB3 LEU 23 17.710 29.533 32.105 151 HG LEU 23 HG LEU 23 18.937 28.416 33.828 152 HD11 LEU 23 HD11 LEU 23 21.412 28.211 33.845 153 HD12 LEU 23 HD12 LEU 23 20.663 27.185 32.639 154 HD13 LEU 23 HD13 LEU 23 21.448 28.709 32.135 155 HD21 LEU 23 HD21 LEU 23 20.506 30.897 33.037 156 HD22 LEU 23 HD22 LEU 23 18.954 30.879 33.913 157 HD23 LEU 23 HD23 LEU 23 20.394 30.172 34.659 158 H LYS 24 H LYS 24 17.350 28.829 28.890 159 HA LYS 24 HA LYS 24 14.607 27.983 29.403 160 HB2 LYS 24 HB2 LYS 24 15.919 28.852 26.792 161 HB3 LYS 24 HB3 LYS 24 14.190 28.712 27.078 162 HG2 LYS 24 HG2 LYS 24 16.088 30.741 28.309 163 HG3 LYS 24 HG3 LYS 24 14.824 31.014 27.124 164 HD2 LYS 24 HD2 LYS 24 13.136 30.290 28.856 165 HD3 LYS 24 HD3 LYS 24 14.437 30.242 30.059 166 HE2 LYS 24 HE2 LYS 24 13.909 32.694 28.339 167 HE3 LYS 24 HE3 LYS 24 12.982 32.410 29.812 168 HZ1 LYS 24 HZ1 LYS 24 15.005 33.842 30.061 169 HZ2 LYS 24 HZ2 LYS 24 14.926 32.595 31.120 170 HZ3 LYS 24 HZ3 LYS 24 15.964 32.562 29.845 171 H HIS 25 H HIS 25 17.185 26.554 27.477 172 HA HIS 25 HA HIS 25 15.323 24.411 26.516 173 HB2 HIS 25 HB2 HIS 25 17.673 25.787 25.164 174 HB3 HIS 25 HB3 HIS 25 16.700 24.547 24.438 175 HD2 HIS 25 HD2 HIS 25 16.969 28.095 24.175 176 HE1 HIS 25 HE1 HIS 25 12.761 27.557 23.866 177 HE2 HIS 25 HE2 HIS 25 14.682 29.117 23.331 178 H CYS 26 H CYS 26 17.974 24.573 28.583 179 HA CYS 26 HA CYS 26 19.641 23.263 29.210 180 HB2 CYS 26 HB2 CYS 26 17.529 21.907 29.657 181 HB3 CYS 26 HB3 CYS 26 18.112 20.823 28.382 182 H LYS 27 H LYS 27 19.606 23.981 26.276 183 HA LYS 27 HA LYS 27 22.087 22.500 25.581 184 HB2 LYS 27 HB2 LYS 27 21.461 22.663 23.175 185 HB3 LYS 27 HB3 LYS 27 20.502 21.500 24.090 186 HG2 LYS 27 HG2 LYS 27 18.568 22.927 24.060 187 HG3 LYS 27 HG3 LYS 27 19.512 24.330 23.573 188 HD2 LYS 27 HD2 LYS 27 18.196 23.497 21.704 189 HD3 LYS 27 HD3 LYS 27 19.924 23.408 21.387 190 HE2 LYS 27 HE2 LYS 27 18.887 21.437 20.505 191 HE3 LYS 27 HE3 LYS 27 19.895 20.959 21.869 192 HZ1 LYS 27 HZ1 LYS 27 17.933 20.695 23.208 193 HZ2 LYS 27 HZ2 LYS 27 16.960 21.405 22.093 194 HZ3 LYS 27 HZ3 LYS 27 17.623 19.948 21.789 195 H CYS 28 H CYS 28 23.516 23.724 24.210 196 HA CYS 28 HA CYS 28 23.486 26.581 24.851 197 HB2 CYS 28 HB2 CYS 28 25.509 25.109 24.949 198 HB3 CYS 28 HB3 CYS 28 25.455 25.005 23.195 199 H ILE 29 H ILE 29 24.055 28.115 23.067 200 HA ILE 29 HA ILE 29 21.615 28.213 21.513 201 HB ILE 29 HB ILE 29 22.434 29.985 22.975 202 HG12 ILE 29 HG12 ILE 29 22.186 31.063 20.177 203 HG13 ILE 29 HG13 ILE 29 20.823 30.439 21.119 204 HG21 ILE 29 HG21 ILE 29 24.589 30.471 20.918 205 HG22 ILE 29 HG22 ILE 29 24.248 31.504 22.292 206 HG23 ILE 29 HG23 ILE 29 24.843 29.853 22.541 207 HD11 ILE 29 HD11 ILE 29 22.543 32.863 21.816 208 HD12 ILE 29 HD12 ILE 29 20.839 32.824 21.332 209 HD13 ILE 29 HD13 ILE 29 21.324 32.155 22.881 210 HA PRO 30 HA PRO 30 23.400 27.745 17.345 211 HB2 PRO 30 HB2 PRO 30 21.192 29.629 16.531 212 HB3 PRO 30 HB3 PRO 30 21.670 28.062 15.809 213 HG2 PRO 30 HG2 PRO 30 19.501 28.203 17.384 214 HG3 PRO 30 HG3 PRO 30 20.663 26.850 17.599 215 HD2 PRO 30 HD2 PRO 30 20.502 29.464 19.145 216 HD3 PRO 30 HD3 PRO 30 20.575 27.792 19.775 217 H ARG 31 H ARG 31 24.611 29.793 19.007 218 HA ARG 31 HA ARG 31 25.516 31.798 17.008 219 HB2 ARG 31 HB2 ARG 31 24.565 32.568 19.793 220 HB3 ARG 31 HB3 ARG 31 25.308 33.641 18.608 221 HG2 ARG 31 HG2 ARG 31 23.347 33.375 17.109 222 HG3 ARG 31 HG3 ARG 31 22.616 32.254 18.268 223 HD2 ARG 31 HD2 ARG 31 22.863 34.166 19.997 224 HD3 ARG 31 HD3 ARG 31 23.102 35.227 18.603 225 HE ARG 31 HE ARG 31 20.760 33.805 18.032 226 HH11 ARG 31 HH11 ARG 31 21.687 35.846 20.786 227 HH12 ARG 31 HH12 ARG 31 19.978 36.175 21.126 228 HH21 ARG 31 HH21 ARG 31 18.632 34.439 18.609 229 HH22 ARG 31 HH22 ARG 31 18.462 35.489 20.002 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 15.560 19.793 38.005 2 H2 GLY 1 H2 GLY 1 16.567 18.745 37.241 3 H3 GLY 1 H3 GLY 1 15.816 19.939 36.383 4 HA2 GLY 1 HA2 GLY 1 17.825 20.371 38.500 5 HA3 GLY 1 HA3 GLY 1 18.133 20.500 36.751 6 H SER 2 H SER 2 18.748 22.666 38.219 7 HA SER 2 HA SER 2 16.647 24.531 38.673 8 HB2 SER 2 HB2 SER 2 18.443 26.058 39.240 9 HB3 SER 2 HB3 SER 2 18.802 24.457 39.881 10 HG SER 2 HG SER 2 20.668 25.103 38.875 11 H GLY 3 H GLY 3 17.641 23.629 35.691 12 HA2 GLY 3 HA2 GLY 3 16.740 24.594 33.668 13 HA3 GLY 3 HA3 GLY 3 16.894 26.196 34.375 14 H CYS 4 H CYS 4 19.955 24.808 32.208 15 HA CYS 4 HA CYS 4 17.880 22.853 32.887 16 HB2 CYS 4 HB2 CYS 4 19.381 23.041 30.812 17 HB3 CYS 4 HB3 CYS 4 20.679 22.375 31.797 18 H MET 5 H MET 5 21.351 23.283 33.646 19 HA MET 5 HA MET 5 20.544 23.693 36.366 20 HB2 MET 5 HB2 MET 5 22.954 21.921 35.778 21 HB3 MET 5 HB3 MET 5 22.625 22.683 37.335 22 HG2 MET 5 HG2 MET 5 20.542 21.400 37.537 23 HG3 MET 5 HG3 MET 5 20.834 20.645 35.968 24 HE1 MET 5 HE1 MET 5 20.222 19.099 38.713 25 HE2 MET 5 HE2 MET 5 20.440 18.275 37.149 26 HE3 MET 5 HE3 MET 5 21.352 17.740 38.576 27 H LYS 6 H LYS 6 21.503 25.640 37.040 28 HA LYS 6 HA LYS 6 22.540 27.306 35.037 29 HB2 LYS 6 HB2 LYS 6 21.347 28.047 37.091 30 HB3 LYS 6 HB3 LYS 6 22.812 27.706 38.045 31 HG2 LYS 6 HG2 LYS 6 24.042 29.409 36.611 32 HG3 LYS 6 HG3 LYS 6 22.535 29.722 35.766 33 HD2 LYS 6 HD2 LYS 6 22.746 31.482 37.335 34 HD3 LYS 6 HD3 LYS 6 21.523 30.392 37.994 35 HE2 LYS 6 HE2 LYS 6 22.888 30.949 39.837 36 HE3 LYS 6 HE3 LYS 6 23.393 29.320 39.383 37 HZ1 LYS 6 HZ1 LYS 6 24.832 31.842 38.711 38 HZ2 LYS 6 HZ2 LYS 6 25.310 30.695 39.778 39 HZ3 LYS 6 HZ3 LYS 6 25.307 30.374 38.181 40 H GLU 7 H GLU 7 24.374 25.659 37.586 41 HA GLU 7 HA GLU 7 26.952 26.759 36.880 42 HB2 GLU 7 HB2 GLU 7 26.094 24.264 38.402 43 HB3 GLU 7 HB3 GLU 7 27.782 24.615 38.064 44 HG2 GLU 7 HG2 GLU 7 27.413 25.440 40.230 45 HG3 GLU 7 HG3 GLU 7 27.524 26.852 39.186 46 H TYR 8 H TYR 8 25.375 23.679 35.925 47 HA TYR 8 HA TYR 8 27.426 22.660 34.273 48 HB2 TYR 8 HB2 TYR 8 25.459 21.416 35.132 49 HB3 TYR 8 HB3 TYR 8 24.409 22.363 34.093 50 HD1 TYR 8 HD2 TYR 8 27.371 20.046 33.898 51 HD2 TYR 8 HD1 TYR 8 23.770 21.505 32.019 52 HE1 TYR 8 HE2 TYR 8 27.591 18.315 32.120 53 HE2 TYR 8 HE1 TYR 8 23.984 19.754 30.260 54 HH TYR 8 HH TYR 8 26.642 17.364 30.266 55 H CYS 9 H CYS 9 24.657 24.762 33.440 56 HA CYS 9 HA CYS 9 25.136 24.980 30.662 57 HB2 CYS 9 HB2 CYS 9 23.757 26.721 32.718 58 HB3 CYS 9 HB3 CYS 9 23.939 27.280 31.058 59 H ALA 10 H ALA 10 26.933 26.587 33.279 60 HA ALA 10 HA ALA 10 28.098 28.575 31.526 61 HB1 ALA 10 HB1 ALA 10 29.496 29.107 33.446 62 HB2 ALA 10 HB2 ALA 10 27.819 28.883 33.977 63 HB3 ALA 10 HB3 ALA 10 29.024 27.603 34.254 64 H GLY 11 H GLY 11 28.752 25.229 31.933 65 HA2 GLY 11 HA2 GLY 11 31.424 25.417 30.598 66 HA3 GLY 11 HA3 GLY 11 30.701 23.976 31.309 67 H GLN 12 H GLN 12 28.089 24.133 30.073 68 HA GLN 12 HA GLN 12 28.650 23.115 27.427 69 HB2 GLN 12 HB2 GLN 12 25.998 23.954 28.665 70 HB3 GLN 12 HB3 GLN 12 26.186 23.022 27.183 71 HG2 GLN 12 HG2 GLN 12 26.983 22.132 29.970 72 HG3 GLN 12 HG3 GLN 12 25.586 21.593 29.054 73 HE21 GLN 12 HE22 GLN 12 28.843 20.877 29.782 74 HE22 GLN 12 HE21 GLN 12 29.080 19.641 28.550 75 H CYS 13 H CYS 13 27.870 26.363 28.543 76 HA CYS 13 HA CYS 13 27.985 27.362 25.760 77 HB2 CYS 13 HB2 CYS 13 25.600 26.658 26.618 78 HB3 CYS 13 HB3 CYS 13 25.696 28.141 27.581 79 H ARG 14 H ARG 14 28.383 29.595 25.511 80 HA ARG 14 HA ARG 14 29.167 31.133 27.976 81 HB2 ARG 14 HB2 ARG 14 30.636 31.041 25.332 82 HB3 ARG 14 HB3 ARG 14 31.152 31.858 26.800 83 HG2 ARG 14 HG2 ARG 14 30.997 28.828 26.392 84 HG3 ARG 14 HG3 ARG 14 32.458 29.791 26.305 85 HD2 ARG 14 HD2 ARG 14 30.766 29.425 28.793 86 HD3 ARG 14 HD3 ARG 14 32.270 28.577 28.427 87 HE ARG 14 HE ARG 14 33.055 31.180 28.227 88 HH11 ARG 14 HH11 ARG 14 31.436 29.414 30.807 89 HH12 ARG 14 HH12 ARG 14 31.621 30.758 31.914 90 HH21 ARG 14 HH21 ARG 14 33.696 32.570 29.845 91 HH22 ARG 14 HH22 ARG 14 33.243 32.265 31.494 92 H GLY 15 H GLY 15 29.197 33.336 27.920 93 HA2 GLY 15 HA2 GLY 15 28.512 35.475 27.176 94 HA3 GLY 15 HA3 GLY 15 27.693 34.764 25.783 95 H LYS 16 H LYS 16 26.631 36.613 27.911 96 HA LYS 16 HA LYS 16 25.239 35.192 29.944 97 HB2 LYS 16 HB2 LYS 16 25.808 37.645 29.905 98 HB3 LYS 16 HB3 LYS 16 24.501 37.890 28.733 99 HG2 LYS 16 HG2 LYS 16 22.887 36.976 30.450 100 HG3 LYS 16 HG3 LYS 16 24.228 36.871 31.604 101 HD2 LYS 16 HD2 LYS 16 24.602 39.341 31.311 102 HD3 LYS 16 HD3 LYS 16 23.200 39.409 30.239 103 HE2 LYS 16 HE2 LYS 16 23.188 38.647 33.199 104 HE3 LYS 16 HE3 LYS 16 22.651 40.181 32.496 105 HZ1 LYS 16 HZ1 LYS 16 20.692 38.953 32.766 106 HZ2 LYS 16 HZ2 LYS 16 21.030 38.710 31.175 107 HZ3 LYS 16 HZ3 LYS 16 21.345 37.540 32.268 108 H VAL 17 H VAL 17 24.111 36.184 26.723 109 HA VAL 17 HA VAL 17 21.343 35.376 27.202 110 HB VAL 17 HB VAL 17 22.708 36.113 24.589 111 HG11 VAL 17 HG11 VAL 17 20.562 34.968 24.202 112 HG12 VAL 17 HG12 VAL 17 19.756 36.033 25.379 113 HG13 VAL 17 HG13 VAL 17 20.401 36.686 23.859 114 HG21 VAL 17 HG21 VAL 17 22.899 37.946 26.197 115 HG22 VAL 17 HG22 VAL 17 21.675 38.347 24.990 116 HG23 VAL 17 HG23 VAL 17 21.178 37.808 26.614 117 H SER 18 H SER 18 24.204 34.006 25.562 118 HA SER 18 HA SER 18 23.024 31.648 24.518 119 HB2 SER 18 HB2 SER 18 25.787 31.983 25.703 120 HB3 SER 18 HB3 SER 18 25.306 30.962 24.353 121 HG SER 18 HG SER 18 26.416 32.941 23.803 122 H GLN 19 H GLN 19 24.810 32.163 27.697 123 HA GLN 19 HA GLN 19 23.942 29.697 28.833 124 HB2 GLN 19 HB2 GLN 19 24.649 32.370 30.087 125 HB3 GLN 19 HB3 GLN 19 24.279 30.919 31.040 126 HG2 GLN 19 HG2 GLN 19 26.066 29.660 29.972 127 HG3 GLN 19 HG3 GLN 19 26.418 30.990 28.870 128 HE21 GLN 19 HE22 GLN 19 28.568 30.260 29.963 129 HE22 GLN 19 HE21 GLN 19 29.037 31.333 31.305 130 H ASP 20 H ASP 20 22.087 32.800 28.731 131 HA ASP 20 HA ASP 20 19.864 31.861 30.278 132 HB2 ASP 20 HB2 ASP 20 20.258 34.208 29.825 133 HB3 ASP 20 HB3 ASP 20 20.032 33.944 28.098 134 H TYR 21 H TYR 21 20.574 31.552 26.761 135 HA TYR 21 HA TYR 21 18.213 30.130 26.042 136 HB2 TYR 21 HB2 TYR 21 20.158 31.050 24.591 137 HB3 TYR 21 HB3 TYR 21 20.959 29.525 24.902 138 HD1 TYR 21 HD1 TYR 21 18.175 31.230 23.257 139 HD2 TYR 21 HD2 TYR 21 20.037 27.356 23.880 140 HE1 TYR 21 HE1 TYR 21 16.972 30.323 21.292 141 HE2 TYR 21 HE2 TYR 21 18.846 26.494 21.879 142 HH TYR 21 HH TYR 21 16.666 28.551 19.930 143 H CYS 22 H CYS 22 21.267 28.926 27.483 144 HA CYS 22 HA CYS 22 20.479 26.124 27.384 145 HB2 CYS 22 HB2 CYS 22 22.794 26.849 27.475 146 HB3 CYS 22 HB3 CYS 22 22.555 27.565 29.070 147 H LEU 23 H LEU 23 20.022 28.700 29.764 148 HA LEU 23 HA LEU 23 18.775 27.147 31.816 149 HB2 LEU 23 HB2 LEU 23 19.086 29.990 31.045 150 HB3 LEU 23 HB3 LEU 23 17.611 29.645 31.925 151 HG LEU 23 HG LEU 23 18.884 28.725 33.805 152 HD11 LEU 23 HD11 LEU 23 21.386 29.479 32.204 153 HD12 LEU 23 HD12 LEU 23 21.343 28.932 33.902 154 HD13 LEU 23 HD13 LEU 23 20.887 27.836 32.606 155 HD21 LEU 23 HD21 LEU 23 18.407 31.130 33.716 156 HD22 LEU 23 HD22 LEU 23 19.964 30.846 34.501 157 HD23 LEU 23 HD23 LEU 23 19.900 31.424 32.806 158 H LYS 24 H LYS 24 17.457 28.469 28.805 159 HA LYS 24 HA LYS 24 14.693 27.627 29.398 160 HB2 LYS 24 HB2 LYS 24 16.049 28.421 26.800 161 HB3 LYS 24 HB3 LYS 24 14.324 28.110 26.990 162 HG2 LYS 24 HG2 LYS 24 14.135 30.092 28.471 163 HG3 LYS 24 HG3 LYS 24 15.870 30.394 28.268 164 HD2 LYS 24 HD2 LYS 24 15.523 30.481 25.769 165 HD3 LYS 24 HD3 LYS 24 13.780 30.325 26.059 166 HE2 LYS 24 HE2 LYS 24 13.905 32.450 27.424 167 HE3 LYS 24 HE3 LYS 24 15.598 32.613 26.929 168 HZ1 LYS 24 HZ1 LYS 24 14.101 33.855 25.466 169 HZ2 LYS 24 HZ2 LYS 24 14.797 32.636 24.596 170 HZ3 LYS 24 HZ3 LYS 24 13.254 32.496 25.122 171 H HIS 25 H HIS 25 17.351 26.426 27.395 172 HA HIS 25 HA HIS 25 15.611 24.199 26.415 173 HB2 HIS 25 HB2 HIS 25 17.777 25.866 25.068 174 HB3 HIS 25 HB3 HIS 25 16.930 24.554 24.291 175 HD2 HIS 25 HD2 HIS 25 16.781 28.145 24.409 176 HE1 HIS 25 HE1 HIS 25 12.715 27.056 23.759 177 HE2 HIS 25 HE2 HIS 25 14.406 28.978 23.675 178 H CYS 26 H CYS 26 18.317 24.257 28.384 179 HA CYS 26 HA CYS 26 19.975 22.811 28.860 180 HB2 CYS 26 HB2 CYS 26 18.190 20.798 27.464 181 HB3 CYS 26 HB3 CYS 26 19.555 20.398 28.499 182 H LYS 27 H LYS 27 19.982 24.025 25.995 183 HA LYS 27 HA LYS 27 22.504 22.703 25.138 184 HB2 LYS 27 HB2 LYS 27 21.792 22.886 22.792 185 HB3 LYS 27 HB3 LYS 27 20.735 21.809 23.723 186 HG2 LYS 27 HG2 LYS 27 19.033 23.614 23.845 187 HG3 LYS 27 HG3 LYS 27 20.116 24.721 23.005 188 HD2 LYS 27 HD2 LYS 27 18.426 23.848 21.494 189 HD3 LYS 27 HD3 LYS 27 20.048 23.323 20.996 190 HE2 LYS 27 HE2 LYS 27 19.646 21.109 22.076 191 HE3 LYS 27 HE3 LYS 27 18.033 21.644 22.568 192 HZ1 LYS 27 HZ1 LYS 27 17.973 20.344 20.518 193 HZ2 LYS 27 HZ2 LYS 27 17.460 21.882 20.239 194 HZ3 LYS 27 HZ3 LYS 27 18.956 21.398 19.752 195 H CYS 28 H CYS 28 23.680 24.093 23.492 196 HA CYS 28 HA CYS 28 23.594 26.905 24.385 197 HB2 CYS 28 HB2 CYS 28 25.720 25.477 24.285 198 HB3 CYS 28 HB3 CYS 28 25.630 25.687 22.535 199 H ILE 29 H ILE 29 23.907 28.624 22.805 200 HA ILE 29 HA ILE 29 21.599 28.472 21.054 201 HB ILE 29 HB ILE 29 22.000 30.238 22.737 202 HG12 ILE 29 HG12 ILE 29 21.553 31.281 19.927 203 HG13 ILE 29 HG13 ILE 29 20.350 30.454 20.931 204 HG21 ILE 29 HG21 ILE 29 24.441 30.624 22.229 205 HG22 ILE 29 HG22 ILE 29 23.937 31.491 20.763 206 HG23 ILE 29 HG23 ILE 29 23.460 32.092 22.349 207 HD11 ILE 29 HD11 ILE 29 21.620 33.170 21.477 208 HD12 ILE 29 HD12 ILE 29 19.928 32.807 21.093 209 HD13 ILE 29 HD13 ILE 29 20.607 32.287 22.646 210 HA PRO 30 HA PRO 30 24.113 28.076 17.345 211 HB2 PRO 30 HB2 PRO 30 22.208 28.105 15.411 212 HB3 PRO 30 HB3 PRO 30 22.345 26.742 16.564 213 HG2 PRO 30 HG2 PRO 30 20.485 29.139 16.730 214 HG3 PRO 30 HG3 PRO 30 20.066 27.404 16.897 215 HD2 PRO 30 HD2 PRO 30 20.509 29.002 19.061 216 HD3 PRO 30 HD3 PRO 30 21.021 27.289 19.052 217 H ARG 31 H ARG 31 24.679 30.937 15.511 218 HA ARG 31 HA ARG 31 24.684 28.044 15.224 219 HB2 ARG 31 HB2 ARG 31 25.746 28.256 13.296 220 HB3 ARG 31 HB3 ARG 31 24.889 29.774 13.331 221 HG2 ARG 31 HG2 ARG 31 27.854 29.411 13.997 222 HG3 ARG 31 HG3 ARG 31 27.209 29.803 12.421 223 HD2 ARG 31 HD2 ARG 31 28.021 31.796 13.325 224 HD3 ARG 31 HD3 ARG 31 26.256 31.919 13.314 225 HE ARG 31 HE ARG 31 27.039 30.972 15.871 226 HH11 ARG 31 HH11 ARG 31 27.707 33.915 14.004 227 HH12 ARG 31 HH12 ARG 31 27.710 34.883 15.482 228 HH21 ARG 31 HH21 ARG 31 27.005 32.394 17.636 229 HH22 ARG 31 HH22 ARG 31 27.445 34.072 17.362 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 16.705 22.591 39.583 2 H2 GLY 1 H2 GLY 1 17.399 23.743 40.516 3 H3 GLY 1 H3 GLY 1 17.922 22.177 40.625 4 HA2 GLY 1 HA2 GLY 1 19.480 23.588 39.398 5 HA3 GLY 1 HA3 GLY 1 18.847 22.224 38.453 6 H SER 2 H SER 2 19.503 25.472 38.214 7 HA SER 2 HA SER 2 17.115 26.546 37.169 8 HB2 SER 2 HB2 SER 2 19.869 27.561 36.442 9 HB3 SER 2 HB3 SER 2 18.364 28.470 36.691 10 HG SER 2 HG SER 2 19.482 28.702 38.594 11 H GLY 3 H GLY 3 16.063 25.837 35.404 12 HA2 GLY 3 HA2 GLY 3 15.553 25.287 33.212 13 HA3 GLY 3 HA3 GLY 3 17.163 25.796 32.737 14 H CYS 4 H CYS 4 18.869 24.247 33.740 15 HA CYS 4 HA CYS 4 18.084 21.417 33.881 16 HB2 CYS 4 HB2 CYS 4 19.563 22.485 31.636 17 HB3 CYS 4 HB3 CYS 4 20.652 21.473 32.578 18 H MET 5 H MET 5 21.205 23.170 33.887 19 HA MET 5 HA MET 5 20.915 23.843 36.663 20 HB2 MET 5 HB2 MET 5 23.332 22.164 35.831 21 HB3 MET 5 HB3 MET 5 23.261 23.170 37.276 22 HG2 MET 5 HG2 MET 5 21.241 21.861 38.036 23 HG3 MET 5 HG3 MET 5 21.575 20.742 36.695 24 HE1 MET 5 HE1 MET 5 22.615 18.587 39.721 25 HE2 MET 5 HE2 MET 5 21.241 19.710 39.567 26 HE3 MET 5 HE3 MET 5 21.700 18.673 38.207 27 H LYS 6 H LYS 6 21.905 25.780 37.072 28 HA LYS 6 HA LYS 6 22.785 27.555 35.011 29 HB2 LYS 6 HB2 LYS 6 21.922 28.251 37.224 30 HB3 LYS 6 HB3 LYS 6 23.312 27.516 38.021 31 HG2 LYS 6 HG2 LYS 6 24.816 29.135 36.860 32 HG3 LYS 6 HG3 LYS 6 23.395 29.880 36.102 33 HD2 LYS 6 HD2 LYS 6 22.518 30.492 38.325 34 HD3 LYS 6 HD3 LYS 6 23.879 29.667 39.107 35 HE2 LYS 6 HE2 LYS 6 25.464 31.208 37.965 36 HE3 LYS 6 HE3 LYS 6 24.110 32.035 37.188 37 HZ1 LYS 6 HZ1 LYS 6 23.313 32.683 39.374 38 HZ2 LYS 6 HZ2 LYS 6 24.545 31.893 40.122 39 HZ3 LYS 6 HZ3 LYS 6 24.857 33.204 39.179 40 H GLU 7 H GLU 7 24.608 25.506 37.230 41 HA GLU 7 HA GLU 7 27.260 26.257 36.557 42 HB2 GLU 7 HB2 GLU 7 26.083 23.643 37.620 43 HB3 GLU 7 HB3 GLU 7 27.803 23.990 37.522 44 HG2 GLU 7 HG2 GLU 7 27.134 24.424 39.756 45 HG3 GLU 7 HG3 GLU 7 27.517 25.965 38.987 46 H TYR 8 H TYR 8 25.388 23.435 35.389 47 HA TYR 8 HA TYR 8 27.204 22.440 33.452 48 HB2 TYR 8 HB2 TYR 8 25.259 21.201 34.265 49 HB3 TYR 8 HB3 TYR 8 24.163 22.417 33.644 50 HD1 TYR 8 HD2 TYR 8 26.428 19.642 32.695 51 HD2 TYR 8 HD1 TYR 8 23.483 22.483 31.332 52 HE1 TYR 8 HE2 TYR 8 26.114 18.316 30.601 53 HE2 TYR 8 HE1 TYR 8 23.177 21.160 29.235 54 HH TYR 8 HH TYR 8 24.880 18.063 28.680 55 H CYS 9 H CYS 9 24.470 24.757 33.069 56 HA CYS 9 HA CYS 9 24.906 25.270 30.319 57 HB2 CYS 9 HB2 CYS 9 23.612 26.866 32.556 58 HB3 CYS 9 HB3 CYS 9 23.645 27.437 30.890 59 H ALA 10 H ALA 10 26.550 26.754 33.128 60 HA ALA 10 HA ALA 10 27.994 28.609 31.408 61 HB1 ALA 10 HB1 ALA 10 29.134 29.228 33.520 62 HB2 ALA 10 HB2 ALA 10 27.368 29.233 33.682 63 HB3 ALA 10 HB3 ALA 10 28.312 27.882 34.342 64 H GLY 11 H GLY 11 28.584 25.325 32.448 65 HA2 GLY 11 HA2 GLY 11 31.426 25.292 31.713 66 HA3 GLY 11 HA3 GLY 11 30.383 23.912 32.069 67 H GLN 12 H GLN 12 28.346 24.496 30.116 68 HA GLN 12 HA GLN 12 29.727 23.529 27.678 69 HB2 GLN 12 HB2 GLN 12 26.785 23.488 28.426 70 HB3 GLN 12 HB3 GLN 12 27.539 22.631 27.078 71 HG2 GLN 12 HG2 GLN 12 28.084 22.119 30.034 72 HG3 GLN 12 HG3 GLN 12 27.050 21.156 28.992 73 HE21 GLN 12 HE22 GLN 12 28.088 19.851 27.250 74 HE22 GLN 12 HE21 GLN 12 29.761 19.364 27.547 75 H CYS 13 H CYS 13 28.273 26.459 28.687 76 HA CYS 13 HA CYS 13 28.392 27.511 25.923 77 HB2 CYS 13 HB2 CYS 13 26.020 26.640 26.736 78 HB3 CYS 13 HB3 CYS 13 25.992 28.151 27.641 79 H ARG 14 H ARG 14 28.724 29.799 25.792 80 HA ARG 14 HA ARG 14 29.041 31.329 28.355 81 HB2 ARG 14 HB2 ARG 14 31.086 31.012 26.169 82 HB3 ARG 14 HB3 ARG 14 31.148 32.244 27.438 83 HG2 ARG 14 HG2 ARG 14 31.302 30.558 29.194 84 HG3 ARG 14 HG3 ARG 14 31.184 29.246 28.012 85 HD2 ARG 14 HD2 ARG 14 33.395 31.335 28.007 86 HD3 ARG 14 HD3 ARG 14 33.527 29.763 28.793 87 HE ARG 14 HE ARG 14 33.447 30.293 25.868 88 HH11 ARG 14 HH11 ARG 14 33.537 27.722 28.340 89 HH12 ARG 14 HH12 ARG 14 34.305 26.659 27.162 90 HH21 ARG 14 HH21 ARG 14 34.061 28.754 24.518 91 HH22 ARG 14 HH22 ARG 14 34.333 27.106 25.093 92 H GLY 15 H GLY 15 29.197 33.508 28.264 93 HA2 GLY 15 HA2 GLY 15 28.494 35.641 27.420 94 HA3 GLY 15 HA3 GLY 15 27.774 34.860 26.008 95 H LYS 16 H LYS 16 26.646 36.626 28.212 96 HA LYS 16 HA LYS 16 25.216 35.113 30.125 97 HB2 LYS 16 HB2 LYS 16 25.922 37.593 30.032 98 HB3 LYS 16 HB3 LYS 16 24.431 37.873 29.125 99 HG2 LYS 16 HG2 LYS 16 23.157 36.874 31.079 100 HG3 LYS 16 HG3 LYS 16 24.690 36.745 31.950 101 HD2 LYS 16 HD2 LYS 16 23.317 39.290 30.992 102 HD3 LYS 16 HD3 LYS 16 23.501 38.742 32.659 103 HE2 LYS 16 HE2 LYS 16 25.984 38.988 32.464 104 HE3 LYS 16 HE3 LYS 16 25.775 39.568 30.803 105 HZ1 LYS 16 HZ1 LYS 16 24.807 40.916 33.258 106 HZ2 LYS 16 HZ2 LYS 16 25.977 41.444 32.207 107 HZ3 LYS 16 HZ3 LYS 16 24.422 41.407 31.735 108 H VAL 17 H VAL 17 24.174 36.232 26.932 109 HA VAL 17 HA VAL 17 21.398 35.324 27.222 110 HB VAL 17 HB VAL 17 22.926 36.165 24.736 111 HG11 VAL 17 HG11 VAL 17 20.690 36.698 23.807 112 HG12 VAL 17 HG12 VAL 17 20.876 34.978 24.115 113 HG13 VAL 17 HG13 VAL 17 19.930 35.986 25.245 114 HG21 VAL 17 HG21 VAL 17 21.180 37.780 26.628 115 HG22 VAL 17 HG22 VAL 17 22.927 37.969 26.354 116 HG23 VAL 17 HG23 VAL 17 21.800 38.357 25.056 117 H SER 18 H SER 18 24.420 34.059 25.786 118 HA SER 18 HA SER 18 23.356 31.790 24.492 119 HB2 SER 18 HB2 SER 18 26.020 32.040 25.901 120 HB3 SER 18 HB3 SER 18 25.645 31.081 24.486 121 HG SER 18 HG SER 18 26.807 33.094 24.170 122 H GLN 19 H GLN 19 24.817 32.165 27.769 123 HA GLN 19 HA GLN 19 23.942 29.640 28.788 124 HB2 GLN 19 HB2 GLN 19 24.563 32.307 30.100 125 HB3 GLN 19 HB3 GLN 19 24.220 30.828 31.020 126 HG2 GLN 19 HG2 GLN 19 26.083 29.666 30.004 127 HG3 GLN 19 HG3 GLN 19 26.399 30.978 28.879 128 HE21 GLN 19 HE22 GLN 19 28.549 30.234 30.134 129 HE22 GLN 19 HE21 GLN 19 28.955 31.411 31.403 130 H ASP 20 H ASP 20 22.079 32.735 28.586 131 HA ASP 20 HA ASP 20 19.896 31.751 30.176 132 HB2 ASP 20 HB2 ASP 20 20.381 34.146 29.758 133 HB3 ASP 20 HB3 ASP 20 19.855 33.939 28.084 134 H TYR 21 H TYR 21 20.500 31.577 26.604 135 HA TYR 21 HA TYR 21 18.101 30.167 25.936 136 HB2 TYR 21 HB2 TYR 21 19.795 30.943 24.286 137 HB3 TYR 21 HB3 TYR 21 20.900 29.708 24.846 138 HD1 TYR 21 HD2 TYR 21 17.753 30.282 22.968 139 HD2 TYR 21 HD1 TYR 21 20.630 27.332 24.243 140 HE1 TYR 21 HE2 TYR 21 16.778 28.616 21.380 141 HE2 TYR 21 HE1 TYR 21 19.688 25.702 22.642 142 HH TYR 21 HH TYR 21 18.201 25.366 20.909 143 H CYS 22 H CYS 22 21.110 28.919 27.447 144 HA CYS 22 HA CYS 22 20.268 26.138 27.306 145 HB2 CYS 22 HB2 CYS 22 22.602 26.802 27.433 146 HB3 CYS 22 HB3 CYS 22 22.352 27.532 29.013 147 H LEU 23 H LEU 23 19.829 28.692 29.732 148 HA LEU 23 HA LEU 23 18.449 27.107 31.685 149 HB2 LEU 23 HB2 LEU 23 18.906 29.962 31.018 150 HB3 LEU 23 HB3 LEU 23 17.391 29.650 31.846 151 HG LEU 23 HG LEU 23 18.543 28.633 33.733 152 HD11 LEU 23 HD11 LEU 23 20.485 27.566 32.673 153 HD12 LEU 23 HD12 LEU 23 21.137 29.158 32.210 154 HD13 LEU 23 HD13 LEU 23 21.020 28.695 33.920 155 HD21 LEU 23 HD21 LEU 23 19.768 30.643 34.501 156 HD22 LEU 23 HD22 LEU 23 19.833 31.248 32.835 157 HD23 LEU 23 HD23 LEU 23 18.263 31.077 33.664 158 H LYS 24 H LYS 24 17.397 28.228 28.549 159 HA LYS 24 HA LYS 24 14.532 27.617 29.135 160 HB2 LYS 24 HB2 LYS 24 15.892 28.599 26.607 161 HB3 LYS 24 HB3 LYS 24 14.148 28.388 26.822 162 HG2 LYS 24 HG2 LYS 24 14.167 30.135 28.563 163 HG3 LYS 24 HG3 LYS 24 15.915 30.322 28.389 164 HD2 LYS 24 HD2 LYS 24 15.474 30.827 25.900 165 HD3 LYS 24 HD3 LYS 24 13.763 30.962 26.363 166 HE2 LYS 24 HE2 LYS 24 14.446 32.679 28.100 167 HE3 LYS 24 HE3 LYS 24 16.077 32.615 27.417 168 HZ1 LYS 24 HZ1 LYS 24 15.124 33.277 25.272 169 HZ2 LYS 24 HZ2 LYS 24 13.620 33.340 25.899 170 HZ3 LYS 24 HZ3 LYS 24 14.779 34.416 26.399 171 H HIS 25 H HIS 25 17.277 26.212 27.458 172 HA HIS 25 HA HIS 25 15.590 23.925 26.481 173 HB2 HIS 25 HB2 HIS 25 17.559 25.592 24.875 174 HB3 HIS 25 HB3 HIS 25 16.690 24.181 24.282 175 HD2 HIS 25 HD2 HIS 25 16.384 27.868 24.497 176 HE1 HIS 25 HE1 HIS 25 12.492 26.509 23.412 177 HE2 HIS 25 HE2 HIS 25 14.006 28.538 23.541 178 H CYS 26 H CYS 26 18.196 24.243 28.461 179 HA CYS 26 HA CYS 26 19.949 22.960 29.012 180 HB2 CYS 26 HB2 CYS 26 17.880 21.606 29.423 181 HB3 CYS 26 HB3 CYS 26 18.255 20.688 27.976 182 H LYS 27 H LYS 27 20.249 23.995 26.347 183 HA LYS 27 HA LYS 27 22.526 22.374 25.327 184 HB2 LYS 27 HB2 LYS 27 20.227 23.483 23.650 185 HB3 LYS 27 HB3 LYS 27 21.721 22.804 22.996 186 HG2 LYS 27 HG2 LYS 27 21.178 20.592 23.893 187 HG3 LYS 27 HG3 LYS 27 19.727 21.225 24.676 188 HD2 LYS 27 HD2 LYS 27 18.794 21.889 22.508 189 HD3 LYS 27 HD3 LYS 27 20.234 21.228 21.692 190 HE2 LYS 27 HE2 LYS 27 19.745 18.985 22.749 191 HE3 LYS 27 HE3 LYS 27 18.259 19.660 23.427 192 HZ1 LYS 27 HZ1 LYS 27 17.800 18.472 21.392 193 HZ2 LYS 27 HZ2 LYS 27 17.521 20.086 21.125 194 HZ3 LYS 27 HZ3 LYS 27 18.890 19.341 20.562 195 H CYS 28 H CYS 28 23.955 23.791 23.891 196 HA CYS 28 HA CYS 28 23.912 26.572 24.862 197 HB2 CYS 28 HB2 CYS 28 26.028 25.206 24.501 198 HB3 CYS 28 HB3 CYS 28 25.707 25.405 22.770 199 H ILE 29 H ILE 29 23.988 28.361 23.349 200 HA ILE 29 HA ILE 29 21.519 28.393 21.969 201 HB ILE 29 HB ILE 29 22.443 30.248 23.228 202 HG12 ILE 29 HG12 ILE 29 21.782 31.047 20.370 203 HG13 ILE 29 HG13 ILE 29 20.615 30.595 21.620 204 HG21 ILE 29 HG21 ILE 29 24.152 31.737 22.350 205 HG22 ILE 29 HG22 ILE 29 24.797 30.105 22.472 206 HG23 ILE 29 HG23 ILE 29 24.314 30.763 20.885 207 HD11 ILE 29 HD11 ILE 29 20.654 32.973 21.513 208 HD12 ILE 29 HD12 ILE 29 21.434 32.504 23.032 209 HD13 ILE 29 HD13 ILE 29 22.419 33.040 21.646 210 HA PRO 30 HA PRO 30 22.814 27.129 17.896 211 HB2 PRO 30 HB2 PRO 30 20.615 27.764 16.409 212 HB3 PRO 30 HB3 PRO 30 20.666 26.390 17.552 213 HG2 PRO 30 HG2 PRO 30 19.572 29.175 18.071 214 HG3 PRO 30 HG3 PRO 30 18.786 27.597 18.403 215 HD2 PRO 30 HD2 PRO 30 20.091 28.913 20.347 216 HD3 PRO 30 HD3 PRO 30 20.254 27.141 20.198 217 H ARG 31 H ARG 31 24.440 28.264 17.101 218 HA ARG 31 HA ARG 31 24.110 30.825 15.736 219 HB2 ARG 31 HB2 ARG 31 24.545 31.325 18.113 220 HB3 ARG 31 HB3 ARG 31 25.932 30.217 18.127 221 HG2 ARG 31 HG2 ARG 31 27.149 31.539 16.588 222 HG3 ARG 31 HG3 ARG 31 25.753 32.576 16.243 223 HD2 ARG 31 HD2 ARG 31 27.227 32.404 18.910 224 HD3 ARG 31 HD3 ARG 31 27.388 33.717 17.731 225 HE ARG 31 HE ARG 31 24.635 33.518 18.334 226 HH11 ARG 31 HH11 ARG 31 27.547 34.444 20.143 227 HH12 ARG 31 HH12 ARG 31 26.616 35.606 21.040 228 HH21 ARG 31 HH21 ARG 31 23.588 34.750 19.746 229 HH22 ARG 31 HH22 ARG 31 24.447 35.447 21.124 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 10.236 24.815 35.483 2 H2 GLY 1 H2 GLY 1 10.248 23.192 35.767 3 H3 GLY 1 H3 GLY 1 11.027 23.814 34.457 4 HA2 GLY 1 HA2 GLY 1 11.773 24.307 37.271 5 HA3 GLY 1 HA3 GLY 1 12.612 23.207 36.162 6 H SER 2 H SER 2 14.301 24.980 37.150 7 HA SER 2 HA SER 2 14.437 27.452 35.608 8 HB2 SER 2 HB2 SER 2 16.432 26.200 37.508 9 HB3 SER 2 HB3 SER 2 16.546 27.816 36.788 10 HG SER 2 HG SER 2 14.451 28.253 37.750 11 H GLY 3 H GLY 3 14.223 25.600 33.708 12 HA2 GLY 3 HA2 GLY 3 15.131 25.114 31.636 13 HA3 GLY 3 HA3 GLY 3 16.596 25.978 32.117 14 H CYS 4 H CYS 4 18.127 24.854 33.487 15 HA CYS 4 HA CYS 4 17.928 21.994 33.882 16 HB2 CYS 4 HB2 CYS 4 19.557 23.046 31.657 17 HB3 CYS 4 HB3 CYS 4 20.475 22.040 32.777 18 H MET 5 H MET 5 21.036 23.732 33.856 19 HA MET 5 HA MET 5 20.783 24.628 36.608 20 HB2 MET 5 HB2 MET 5 22.871 22.536 35.853 21 HB3 MET 5 HB3 MET 5 22.913 23.521 37.316 22 HG2 MET 5 HG2 MET 5 20.740 22.530 38.022 23 HG3 MET 5 HG3 MET 5 20.784 21.488 36.596 24 HE1 MET 5 HE1 MET 5 20.297 20.267 39.366 25 HE2 MET 5 HE2 MET 5 20.519 19.260 37.917 26 HE3 MET 5 HE3 MET 5 21.422 18.893 39.403 27 H LYS 6 H LYS 6 22.275 26.272 37.070 28 HA LYS 6 HA LYS 6 23.403 27.780 34.891 29 HB2 LYS 6 HB2 LYS 6 24.074 27.835 37.870 30 HB3 LYS 6 HB3 LYS 6 24.550 29.052 36.683 31 HG2 LYS 6 HG2 LYS 6 22.135 29.539 36.241 32 HG3 LYS 6 HG3 LYS 6 21.681 28.418 37.532 33 HD2 LYS 6 HD2 LYS 6 23.530 30.812 37.918 34 HD3 LYS 6 HD3 LYS 6 21.795 30.892 38.188 35 HE2 LYS 6 HE2 LYS 6 23.356 28.721 39.610 36 HE3 LYS 6 HE3 LYS 6 23.554 30.383 40.166 37 HZ1 LYS 6 HZ1 LYS 6 21.727 29.152 41.286 38 HZ2 LYS 6 HZ2 LYS 6 21.274 30.570 40.599 39 HZ3 LYS 6 HZ3 LYS 6 20.868 29.155 39.877 40 H GLU 7 H GLU 7 24.933 25.663 37.313 41 HA GLU 7 HA GLU 7 27.617 26.014 36.442 42 HB2 GLU 7 HB2 GLU 7 26.337 23.628 37.853 43 HB3 GLU 7 HB3 GLU 7 28.055 23.919 37.677 44 HG2 GLU 7 HG2 GLU 7 27.733 24.707 39.795 45 HG3 GLU 7 HG3 GLU 7 27.651 26.196 38.866 46 H TYR 8 H TYR 8 25.225 23.542 35.500 47 HA TYR 8 HA TYR 8 26.795 21.870 33.907 48 HB2 TYR 8 HB2 TYR 8 24.493 21.389 34.558 49 HB3 TYR 8 HB3 TYR 8 23.897 22.718 33.574 50 HD1 TYR 8 HD2 TYR 8 25.865 19.534 33.299 51 HD2 TYR 8 HD1 TYR 8 23.213 22.316 31.349 52 HE1 TYR 8 HE2 TYR 8 25.685 17.995 31.335 53 HE2 TYR 8 HE1 TYR 8 23.026 20.783 29.402 54 HH TYR 8 HH TYR 8 23.577 18.727 28.535 55 H CYS 9 H CYS 9 25.045 24.806 32.892 56 HA CYS 9 HA CYS 9 26.190 24.568 30.195 57 HB2 CYS 9 HB2 CYS 9 23.968 26.092 31.437 58 HB3 CYS 9 HB3 CYS 9 24.756 26.829 30.034 59 H ALA 10 H ALA 10 27.015 26.535 33.053 60 HA ALA 10 HA ALA 10 28.982 28.130 31.652 61 HB1 ALA 10 HB1 ALA 10 28.868 27.011 34.488 62 HB2 ALA 10 HB2 ALA 10 30.041 28.211 33.918 63 HB3 ALA 10 HB3 ALA 10 28.312 28.607 33.943 64 H GLY 11 H GLY 11 28.864 24.739 32.574 65 HA2 GLY 11 HA2 GLY 11 31.593 24.064 31.756 66 HA3 GLY 11 HA3 GLY 11 30.285 22.958 32.191 67 H GLN 12 H GLN 12 29.115 25.111 29.857 68 HA GLN 12 HA GLN 12 29.972 23.434 27.531 69 HB2 GLN 12 HB2 GLN 12 27.246 24.697 28.036 70 HB3 GLN 12 HB3 GLN 12 27.741 23.908 26.547 71 HG2 GLN 12 HG2 GLN 12 27.679 22.454 29.211 72 HG3 GLN 12 HG3 GLN 12 26.285 22.575 28.162 73 HE21 GLN 12 HE22 GLN 12 28.524 20.411 29.015 74 HE22 GLN 12 HE21 GLN 12 28.749 19.561 27.484 75 H CYS 13 H CYS 13 28.561 26.658 28.395 76 HA CYS 13 HA CYS 13 30.240 28.013 26.369 77 HB2 CYS 13 HB2 CYS 13 27.204 27.836 26.269 78 HB3 CYS 13 HB3 CYS 13 28.120 29.050 25.403 79 H ARG 14 H ARG 14 29.903 30.315 26.300 80 HA ARG 14 HA ARG 14 28.711 31.584 28.735 81 HB2 ARG 14 HB2 ARG 14 31.352 32.403 27.538 82 HB3 ARG 14 HB3 ARG 14 30.520 33.088 28.944 83 HG2 ARG 14 HG2 ARG 14 30.893 31.031 30.230 84 HG3 ARG 14 HG3 ARG 14 31.677 30.273 28.838 85 HD2 ARG 14 HD2 ARG 14 33.383 31.022 30.326 86 HD3 ARG 14 HD3 ARG 14 33.455 32.006 28.873 87 HE ARG 14 HE ARG 14 32.745 32.825 31.609 88 HH11 ARG 14 HH11 ARG 14 33.024 34.000 28.288 89 HH12 ARG 14 HH12 ARG 14 32.869 35.657 28.803 90 HH21 ARG 14 HH21 ARG 14 32.424 34.912 32.139 91 HH22 ARG 14 HH22 ARG 14 32.401 36.140 30.902 92 H GLY 15 H GLY 15 28.898 34.060 28.381 93 HA2 GLY 15 HA2 GLY 15 28.066 35.888 27.057 94 HA3 GLY 15 HA3 GLY 15 27.548 34.747 25.803 95 H LYS 16 H LYS 16 26.345 36.669 28.067 96 HA LYS 16 HA LYS 16 24.755 35.196 29.847 97 HB2 LYS 16 HB2 LYS 16 25.333 37.709 29.703 98 HB3 LYS 16 HB3 LYS 16 23.968 37.854 28.595 99 HG2 LYS 16 HG2 LYS 16 22.446 37.014 30.383 100 HG3 LYS 16 HG3 LYS 16 23.857 36.783 31.433 101 HD2 LYS 16 HD2 LYS 16 24.335 39.308 31.080 102 HD3 LYS 16 HD3 LYS 16 22.725 39.401 30.369 103 HE2 LYS 16 HE2 LYS 16 22.632 40.086 32.679 104 HE3 LYS 16 HE3 LYS 16 21.749 38.564 32.509 105 HZ1 LYS 16 HZ1 LYS 16 24.563 38.752 33.472 106 HZ2 LYS 16 HZ2 LYS 16 23.253 38.637 34.466 107 HZ3 LYS 16 HZ3 LYS 16 23.631 37.406 33.458 108 H VAL 17 H VAL 17 24.046 36.070 26.502 109 HA VAL 17 HA VAL 17 21.316 35.088 26.587 110 HB VAL 17 HB VAL 17 22.180 36.909 25.091 111 HG11 VAL 17 HG11 VAL 17 24.209 35.719 24.199 112 HG12 VAL 17 HG12 VAL 17 23.129 34.646 23.280 113 HG13 VAL 17 HG13 VAL 17 23.149 36.385 22.953 114 HG21 VAL 17 HG21 VAL 17 19.972 35.877 24.831 115 HG22 VAL 17 HG22 VAL 17 20.664 36.345 23.267 116 HG23 VAL 17 HG23 VAL 17 20.667 34.637 23.758 117 H SER 18 H SER 18 24.408 33.555 25.854 118 HA SER 18 HA SER 18 23.193 31.177 24.639 119 HB2 SER 18 HB2 SER 18 25.575 31.924 24.213 120 HB3 SER 18 HB3 SER 18 25.967 31.395 25.867 121 HG SER 18 HG SER 18 26.080 29.899 23.844 122 H GLN 19 H GLN 19 24.589 32.042 27.869 123 HA GLN 19 HA GLN 19 23.608 29.671 29.148 124 HB2 GLN 19 HB2 GLN 19 24.208 32.447 30.233 125 HB3 GLN 19 HB3 GLN 19 23.830 31.031 31.247 126 HG2 GLN 19 HG2 GLN 19 25.710 29.776 30.222 127 HG3 GLN 19 HG3 GLN 19 26.112 31.160 29.211 128 HE21 GLN 19 HE22 GLN 19 28.163 30.321 30.464 129 HE22 GLN 19 HE21 GLN 19 28.535 31.355 31.838 130 H ASP 20 H ASP 20 21.851 32.812 28.649 131 HA ASP 20 HA ASP 20 19.526 31.940 30.053 132 HB2 ASP 20 HB2 ASP 20 20.008 34.282 29.602 133 HB3 ASP 20 HB3 ASP 20 19.799 34.013 27.862 134 H TYR 21 H TYR 21 20.390 31.531 26.560 135 HA TYR 21 HA TYR 21 17.952 30.239 25.797 136 HB2 TYR 21 HB2 TYR 21 19.780 31.032 24.279 137 HB3 TYR 21 HB3 TYR 21 20.759 29.664 24.791 138 HD1 TYR 21 HD1 TYR 21 17.816 30.754 22.856 139 HD2 TYR 21 HD2 TYR 21 20.231 27.343 23.995 140 HE1 TYR 21 HE1 TYR 21 16.751 29.390 21.058 141 HE2 TYR 21 HE2 TYR 21 19.176 26.017 22.186 142 HH TYR 21 HH TYR 21 16.690 27.341 19.989 143 H CYS 22 H CYS 22 20.931 28.925 27.310 144 HA CYS 22 HA CYS 22 20.060 26.179 27.334 145 HB2 CYS 22 HB2 CYS 22 22.375 26.755 27.783 146 HB3 CYS 22 HB3 CYS 22 21.923 27.668 29.224 147 H LEU 23 H LEU 23 19.420 28.856 29.548 148 HA LEU 23 HA LEU 23 17.915 27.338 31.445 149 HB2 LEU 23 HB2 LEU 23 18.656 30.122 30.867 150 HB3 LEU 23 HB3 LEU 23 17.104 29.932 31.680 151 HG LEU 23 HG LEU 23 18.124 28.752 33.540 152 HD11 LEU 23 HD11 LEU 23 20.555 28.397 33.754 153 HD12 LEU 23 HD12 LEU 23 19.910 27.445 32.420 154 HD13 LEU 23 HD13 LEU 23 20.800 28.943 32.083 155 HD21 LEU 23 HD21 LEU 23 19.779 31.175 32.711 156 HD22 LEU 23 HD22 LEU 23 18.224 31.193 33.569 157 HD23 LEU 23 HD23 LEU 23 19.655 30.521 34.366 158 H LYS 24 H LYS 24 17.047 28.070 28.283 159 HA LYS 24 HA LYS 24 14.196 27.308 28.861 160 HB2 LYS 24 HB2 LYS 24 15.474 28.567 26.399 161 HB3 LYS 24 HB3 LYS 24 13.806 28.008 26.460 162 HG2 LYS 24 HG2 LYS 24 14.987 30.197 28.190 163 HG3 LYS 24 HG3 LYS 24 14.067 30.453 26.717 164 HD2 LYS 24 HD2 LYS 24 12.116 29.278 27.750 165 HD3 LYS 24 HD3 LYS 24 12.999 29.177 29.279 166 HE2 LYS 24 HE2 LYS 24 12.470 31.812 27.837 167 HE3 LYS 24 HE3 LYS 24 11.312 31.094 28.962 168 HZ1 LYS 24 HZ1 LYS 24 12.950 31.182 30.696 169 HZ2 LYS 24 HZ2 LYS 24 14.087 31.839 29.732 170 HZ3 LYS 24 HZ3 LYS 24 12.706 32.680 30.100 171 H HIS 25 H HIS 25 17.139 26.244 27.383 172 HA HIS 25 HA HIS 25 15.741 23.902 26.081 173 HB2 HIS 25 HB2 HIS 25 17.849 25.778 24.956 174 HB3 HIS 25 HB3 HIS 25 17.327 24.310 24.154 175 HD2 HIS 25 HD2 HIS 25 16.467 27.903 24.353 176 HE1 HIS 25 HE1 HIS 25 12.961 26.078 22.762 177 HE2 HIS 25 HE2 HIS 25 14.115 28.290 23.214 178 H CYS 26 H CYS 26 18.169 24.379 28.333 179 HA CYS 26 HA CYS 26 19.873 23.213 29.120 180 HB2 CYS 26 HB2 CYS 26 17.909 21.556 29.155 181 HB3 CYS 26 HB3 CYS 26 18.771 20.713 27.877 182 H LYS 27 H LYS 27 20.269 24.257 26.315 183 HA LYS 27 HA LYS 27 22.944 23.061 25.910 184 HB2 LYS 27 HB2 LYS 27 22.610 23.115 23.442 185 HB3 LYS 27 HB3 LYS 27 21.656 21.865 24.250 186 HG2 LYS 27 HG2 LYS 27 19.620 23.091 23.952 187 HG3 LYS 27 HG3 LYS 27 20.477 24.585 23.554 188 HD2 LYS 27 HD2 LYS 27 19.475 23.580 21.584 189 HD3 LYS 27 HD3 LYS 27 21.233 23.666 21.437 190 HE2 LYS 27 HE2 LYS 27 21.458 21.279 21.941 191 HE3 LYS 27 HE3 LYS 27 19.738 21.171 22.347 192 HZ1 LYS 27 HZ1 LYS 27 20.824 21.745 19.640 193 HZ2 LYS 27 HZ2 LYS 27 20.145 20.344 20.141 194 HZ3 LYS 27 HZ3 LYS 27 19.221 21.701 20.038 195 H CYS 28 H CYS 28 24.316 24.474 24.517 196 HA CYS 28 HA CYS 28 24.158 27.287 25.036 197 HB2 CYS 28 HB2 CYS 28 25.426 25.932 22.628 198 HB3 CYS 28 HB3 CYS 28 25.845 27.491 23.321 199 H ILE 29 H ILE 29 23.632 29.038 23.568 200 HA ILE 29 HA ILE 29 21.357 28.633 21.835 201 HB ILE 29 HB ILE 29 21.904 30.733 23.031 202 HG12 ILE 29 HG12 ILE 29 21.499 31.238 20.083 203 HG13 ILE 29 HG13 ILE 29 20.263 30.549 21.150 204 HG21 ILE 29 HG21 ILE 29 24.347 30.768 22.366 205 HG22 ILE 29 HG22 ILE 29 23.836 31.361 20.779 206 HG23 ILE 29 HG23 ILE 29 23.494 32.310 22.244 207 HD11 ILE 29 HD11 ILE 29 19.881 32.928 20.952 208 HD12 ILE 29 HD12 ILE 29 20.391 32.548 22.609 209 HD13 ILE 29 HD13 ILE 29 21.538 33.292 21.468 210 HA PRO 30 HA PRO 30 22.774 26.240 19.080 211 HB2 PRO 30 HB2 PRO 30 21.857 27.857 16.688 212 HB3 PRO 30 HB3 PRO 30 21.703 26.090 16.986 213 HG2 PRO 30 HG2 PRO 30 19.629 27.688 17.621 214 HG3 PRO 30 HG3 PRO 30 20.172 26.466 18.815 215 HD2 PRO 30 HD2 PRO 30 20.778 29.423 18.739 216 HD3 PRO 30 HD3 PRO 30 20.315 28.393 20.121 217 H ARG 31 H ARG 31 24.688 25.550 18.737 218 HA ARG 31 HA ARG 31 26.819 27.102 17.381 219 HB2 ARG 31 HB2 ARG 31 27.053 27.070 19.809 220 HB3 ARG 31 HB3 ARG 31 26.730 25.332 19.875 221 HG2 ARG 31 HG2 ARG 31 28.796 24.848 18.704 222 HG3 ARG 31 HG3 ARG 31 29.103 26.576 18.462 223 HD2 ARG 31 HD2 ARG 31 30.514 25.857 20.238 224 HD3 ARG 31 HD3 ARG 31 29.241 26.840 20.966 225 HE ARG 31 HE ARG 31 28.122 24.528 21.474 226 HH11 ARG 31 HH11 ARG 31 31.659 25.029 21.718 227 HH12 ARG 31 HH12 ARG 31 31.751 23.628 22.765 228 HH21 ARG 31 HH21 ARG 31 28.462 22.944 22.844 229 HH22 ARG 31 HH22 ARG 31 30.105 22.562 23.414 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 10.893 26.694 26.251 2 H2 GLY 1 H2 GLY 1 11.314 25.571 25.100 3 H3 GLY 1 H3 GLY 1 12.439 26.167 26.164 4 HA2 GLY 1 HA2 GLY 1 10.123 24.520 26.892 5 HA3 GLY 1 HA3 GLY 1 11.792 23.931 26.740 6 H SER 2 H SER 2 12.650 23.615 28.702 7 HA SER 2 HA SER 2 12.548 25.809 30.703 8 HB2 SER 2 HB2 SER 2 12.223 24.332 32.539 9 HB3 SER 2 HB3 SER 2 10.924 24.034 31.355 10 HG SER 2 HG SER 2 11.659 22.100 32.028 11 H GLY 3 H GLY 3 14.270 25.497 32.435 12 HA2 GLY 3 HA2 GLY 3 16.823 25.268 31.020 13 HA3 GLY 3 HA3 GLY 3 16.564 25.903 32.644 14 H CYS 4 H CYS 4 18.723 24.445 32.341 15 HA CYS 4 HA CYS 4 18.109 21.725 33.411 16 HB2 CYS 4 HB2 CYS 4 20.001 22.645 31.351 17 HB3 CYS 4 HB3 CYS 4 20.702 21.572 32.551 18 H MET 5 H MET 5 21.254 23.356 33.766 19 HA MET 5 HA MET 5 20.703 24.191 36.507 20 HB2 MET 5 HB2 MET 5 22.784 22.054 35.855 21 HB3 MET 5 HB3 MET 5 22.867 23.082 37.286 22 HG2 MET 5 HG2 MET 5 20.630 22.276 37.994 23 HG3 MET 5 HG3 MET 5 20.633 21.131 36.644 24 HE1 MET 5 HE1 MET 5 21.830 18.897 36.583 25 HE2 MET 5 HE2 MET 5 23.354 19.768 36.404 26 HE3 MET 5 HE3 MET 5 23.213 18.465 37.583 27 H LYS 6 H LYS 6 22.236 25.794 37.177 28 HA LYS 6 HA LYS 6 23.263 27.441 35.033 29 HB2 LYS 6 HB2 LYS 6 23.788 27.522 38.034 30 HB3 LYS 6 HB3 LYS 6 24.286 28.762 36.876 31 HG2 LYS 6 HG2 LYS 6 21.892 29.096 36.227 32 HG3 LYS 6 HG3 LYS 6 21.403 27.968 37.503 33 HD2 LYS 6 HD2 LYS 6 23.000 30.523 37.941 34 HD3 LYS 6 HD3 LYS 6 21.251 30.394 38.141 35 HE2 LYS 6 HE2 LYS 6 21.507 28.759 39.937 36 HE3 LYS 6 HE3 LYS 6 23.260 28.713 39.713 37 HZ1 LYS 6 HZ1 LYS 6 23.392 30.996 40.423 38 HZ2 LYS 6 HZ2 LYS 6 21.756 31.139 40.504 39 HZ3 LYS 6 HZ3 LYS 6 22.546 30.166 41.560 40 H GLU 7 H GLU 7 24.928 25.385 37.431 41 HA GLU 7 HA GLU 7 27.592 25.936 36.547 42 HB2 GLU 7 HB2 GLU 7 26.414 23.470 37.909 43 HB3 GLU 7 HB3 GLU 7 28.130 23.752 37.664 44 HG2 GLU 7 HG2 GLU 7 27.710 24.379 39.896 45 HG3 GLU 7 HG3 GLU 7 27.960 25.873 38.999 46 H TYR 8 H TYR 8 25.300 23.399 35.538 47 HA TYR 8 HA TYR 8 27.023 22.010 33.733 48 HB2 TYR 8 HB2 TYR 8 24.918 21.103 34.597 49 HB3 TYR 8 HB3 TYR 8 24.000 22.350 33.763 50 HD1 TYR 8 HD2 TYR 8 25.951 19.260 33.373 51 HD2 TYR 8 HD1 TYR 8 23.694 22.295 31.307 52 HE1 TYR 8 HE2 TYR 8 25.744 17.757 31.389 53 HE2 TYR 8 HE1 TYR 8 23.546 20.833 29.302 54 HH TYR 8 HH TYR 8 24.906 17.498 29.294 55 H CYS 9 H CYS 9 24.614 24.607 33.134 56 HA CYS 9 HA CYS 9 25.123 24.846 30.332 57 HB2 CYS 9 HB2 CYS 9 23.863 26.645 32.423 58 HB3 CYS 9 HB3 CYS 9 23.988 27.122 30.732 59 H ALA 10 H ALA 10 26.541 26.674 33.121 60 HA ALA 10 HA ALA 10 28.119 28.439 31.539 61 HB1 ALA 10 HB1 ALA 10 29.356 28.779 33.649 62 HB2 ALA 10 HB2 ALA 10 27.602 28.776 33.928 63 HB3 ALA 10 HB3 ALA 10 28.574 27.347 34.352 64 H GLY 11 H GLY 11 28.761 25.071 32.566 65 HA2 GLY 11 HA2 GLY 11 31.510 24.992 31.749 66 HA3 GLY 11 HA3 GLY 11 30.429 23.606 31.924 67 H GLN 12 H GLN 12 28.552 24.827 29.817 68 HA GLN 12 HA GLN 12 30.178 24.085 27.421 69 HB2 GLN 12 HB2 GLN 12 28.382 22.950 26.465 70 HB3 GLN 12 HB3 GLN 12 28.720 22.279 28.059 71 HG2 GLN 12 HG2 GLN 12 26.751 23.076 28.975 72 HG3 GLN 12 HG3 GLN 12 26.597 24.395 27.829 73 HE21 GLN 12 HE22 GLN 12 25.773 21.014 28.375 74 HE22 GLN 12 HE21 GLN 12 24.819 20.891 26.897 75 H CYS 13 H CYS 13 28.652 26.766 28.656 76 HA CYS 13 HA CYS 13 28.482 28.010 25.983 77 HB2 CYS 13 HB2 CYS 13 26.258 26.797 26.969 78 HB3 CYS 13 HB3 CYS 13 26.100 28.357 27.761 79 H ARG 14 H ARG 14 28.733 30.234 25.988 80 HA ARG 14 HA ARG 14 29.091 31.676 28.597 81 HB2 ARG 14 HB2 ARG 14 31.006 31.526 26.260 82 HB3 ARG 14 HB3 ARG 14 31.199 32.592 27.647 83 HG2 ARG 14 HG2 ARG 14 31.225 29.543 27.796 84 HG3 ARG 14 HG3 ARG 14 32.667 30.554 27.726 85 HD2 ARG 14 HD2 ARG 14 32.271 31.514 29.871 86 HD3 ARG 14 HD3 ARG 14 30.601 30.984 29.896 87 HE ARG 14 HE ARG 14 31.191 28.822 30.491 88 HH11 ARG 14 HH11 ARG 14 34.210 30.563 29.935 89 HH12 ARG 14 HH12 ARG 14 35.111 29.313 30.741 90 HH21 ARG 14 HH21 ARG 14 32.343 27.536 31.727 91 HH22 ARG 14 HH22 ARG 14 34.060 27.762 31.929 92 H GLY 15 H GLY 15 29.280 33.930 28.524 93 HA2 GLY 15 HA2 GLY 15 28.415 36.016 27.883 94 HA3 GLY 15 HA3 GLY 15 27.891 35.360 26.330 95 H LYS 16 H LYS 16 26.369 36.967 28.265 96 HA LYS 16 HA LYS 16 24.747 35.481 30.051 97 HB2 LYS 16 HB2 LYS 16 24.387 38.152 28.631 98 HB3 LYS 16 HB3 LYS 16 23.158 37.503 29.726 99 HG2 LYS 16 HG2 LYS 16 24.752 37.402 31.570 100 HG3 LYS 16 HG3 LYS 16 26.040 38.048 30.533 101 HD2 LYS 16 HD2 LYS 16 24.702 40.105 30.145 102 HD3 LYS 16 HD3 LYS 16 23.411 39.465 31.165 103 HE2 LYS 16 HE2 LYS 16 26.242 40.131 32.082 104 HE3 LYS 16 HE3 LYS 16 24.803 41.136 32.319 105 HZ1 LYS 16 HZ1 LYS 16 25.181 39.924 34.289 106 HZ2 LYS 16 HZ2 LYS 16 23.841 39.238 33.601 107 HZ3 LYS 16 HZ3 LYS 16 25.292 38.473 33.519 108 H VAL 17 H VAL 17 24.125 36.287 26.635 109 HA VAL 17 HA VAL 17 21.393 35.285 26.787 110 HB VAL 17 HB VAL 17 22.137 37.156 25.323 111 HG11 VAL 17 HG11 VAL 17 23.016 36.735 23.117 112 HG12 VAL 17 HG12 VAL 17 24.163 36.074 24.290 113 HG13 VAL 17 HG13 VAL 17 23.077 34.987 23.399 114 HG21 VAL 17 HG21 VAL 17 20.555 36.634 23.558 115 HG22 VAL 17 HG22 VAL 17 20.655 34.899 23.922 116 HG23 VAL 17 HG23 VAL 17 19.948 36.024 25.105 117 H SER 18 H SER 18 24.460 33.905 25.564 118 HA SER 18 HA SER 18 23.407 31.529 24.453 119 HB2 SER 18 HB2 SER 18 26.051 31.636 25.887 120 HB3 SER 18 HB3 SER 18 25.654 30.935 24.320 121 HG SER 18 HG SER 18 26.943 32.991 24.609 122 H GLN 19 H GLN 19 24.798 32.227 27.729 123 HA GLN 19 HA GLN 19 23.952 29.772 28.934 124 HB2 GLN 19 HB2 GLN 19 24.429 32.557 30.055 125 HB3 GLN 19 HB3 GLN 19 24.084 31.150 31.078 126 HG2 GLN 19 HG2 GLN 19 26.018 29.949 30.248 127 HG3 GLN 19 HG3 GLN 19 26.345 31.182 29.030 128 HE21 GLN 19 HE22 GLN 19 28.413 30.545 30.430 129 HE22 GLN 19 HE21 GLN 19 28.805 31.843 31.575 130 H ASP 20 H ASP 20 22.059 32.838 28.614 131 HA ASP 20 HA ASP 20 19.761 31.980 30.043 132 HB2 ASP 20 HB2 ASP 20 20.149 34.294 29.409 133 HB3 ASP 20 HB3 ASP 20 20.041 33.882 27.695 134 H TYR 21 H TYR 21 20.561 31.563 26.543 135 HA TYR 21 HA TYR 21 18.189 30.177 25.819 136 HB2 TYR 21 HB2 TYR 21 20.074 31.009 24.321 137 HB3 TYR 21 HB3 TYR 21 20.977 29.578 24.781 138 HD1 TYR 21 HD2 TYR 21 20.211 27.296 24.023 139 HD2 TYR 21 HD1 TYR 21 18.148 30.910 22.844 140 HE1 TYR 21 HE2 TYR 21 19.039 26.066 22.210 141 HE2 TYR 21 HE1 TYR 21 16.969 29.640 21.053 142 HH TYR 21 HH TYR 21 16.717 27.583 20.002 143 H CYS 22 H CYS 22 21.166 28.898 27.395 144 HA CYS 22 HA CYS 22 20.275 26.129 27.293 145 HB2 CYS 22 HB2 CYS 22 22.623 26.865 27.406 146 HB3 CYS 22 HB3 CYS 22 22.360 27.496 29.033 147 H LEU 23 H LEU 23 19.749 28.776 29.534 148 HA LEU 23 HA LEU 23 18.298 27.168 31.498 149 HB2 LEU 23 HB2 LEU 23 19.138 29.994 31.068 150 HB3 LEU 23 HB3 LEU 23 17.646 29.762 31.972 151 HG LEU 23 HG LEU 23 18.764 28.371 33.628 152 HD11 LEU 23 HD11 LEU 23 21.321 28.772 32.020 153 HD12 LEU 23 HD12 LEU 23 21.225 28.087 33.660 154 HD13 LEU 23 HD13 LEU 23 20.486 27.229 32.308 155 HD21 LEU 23 HD21 LEU 23 20.233 30.074 34.604 156 HD22 LEU 23 HD22 LEU 23 20.382 30.880 33.021 157 HD23 LEU 23 HD23 LEU 23 18.817 30.824 33.865 158 H LYS 24 H LYS 24 17.412 28.280 28.405 159 HA LYS 24 HA LYS 24 14.494 27.886 29.009 160 HB2 LYS 24 HB2 LYS 24 15.994 29.131 26.673 161 HB3 LYS 24 HB3 LYS 24 14.254 28.803 26.651 162 HG2 LYS 24 HG2 LYS 24 13.905 30.268 28.556 163 HG3 LYS 24 HG3 LYS 24 15.656 30.546 28.703 164 HD2 LYS 24 HD2 LYS 24 15.753 31.724 26.607 165 HD3 LYS 24 HD3 LYS 24 14.106 31.231 26.184 166 HE2 LYS 24 HE2 LYS 24 14.109 33.557 26.880 167 HE3 LYS 24 HE3 LYS 24 13.169 32.569 28.000 168 HZ1 LYS 24 HZ1 LYS 24 15.961 33.476 28.480 169 HZ2 LYS 24 HZ2 LYS 24 14.630 34.165 29.135 170 HZ3 LYS 24 HZ3 LYS 24 15.028 32.635 29.550 171 H HIS 25 H HIS 25 17.190 26.354 27.562 172 HA HIS 25 HA HIS 25 15.452 24.312 26.194 173 HB2 HIS 25 HB2 HIS 25 17.787 25.891 25.046 174 HB3 HIS 25 HB3 HIS 25 17.000 24.567 24.228 175 HD2 HIS 25 HD2 HIS 25 16.668 28.273 24.713 176 HE1 HIS 25 HE1 HIS 25 13.113 27.050 22.715 177 HE2 HIS 25 HE2 HIS 25 14.551 29.046 23.336 178 H CYS 26 H CYS 26 18.078 24.368 28.422 179 HA CYS 26 HA CYS 26 19.619 22.890 29.030 180 HB2 CYS 26 HB2 CYS 26 17.682 20.980 27.723 181 HB3 CYS 26 HB3 CYS 26 19.137 20.430 28.526 182 H LYS 27 H LYS 27 19.919 24.074 26.200 183 HA LYS 27 HA LYS 27 22.411 22.596 25.546 184 HB2 LYS 27 HB2 LYS 27 21.876 22.865 23.101 185 HB3 LYS 27 HB3 LYS 27 20.899 21.662 23.942 186 HG2 LYS 27 HG2 LYS 27 18.971 23.107 23.965 187 HG3 LYS 27 HG3 LYS 27 19.935 24.511 23.520 188 HD2 LYS 27 HD2 LYS 27 18.627 23.845 21.634 189 HD3 LYS 27 HD3 LYS 27 20.333 23.534 21.278 190 HE2 LYS 27 HE2 LYS 27 19.973 21.119 21.789 191 HE3 LYS 27 HE3 LYS 27 18.280 21.451 22.184 192 HZ1 LYS 27 HZ1 LYS 27 19.537 21.966 19.542 193 HZ2 LYS 27 HZ2 LYS 27 18.562 20.698 19.867 194 HZ3 LYS 27 HZ3 LYS 27 17.951 22.228 19.909 195 H CYS 28 H CYS 28 23.981 23.828 24.407 196 HA CYS 28 HA CYS 28 23.860 26.696 24.859 197 HB2 CYS 28 HB2 CYS 28 25.972 25.261 24.817 198 HB3 CYS 28 HB3 CYS 28 25.805 25.265 23.052 199 H ILE 29 H ILE 29 24.127 28.288 23.123 200 HA ILE 29 HA ILE 29 21.668 28.097 21.687 201 HB ILE 29 HB ILE 29 22.287 30.056 22.910 202 HG12 ILE 29 HG12 ILE 29 21.917 30.704 19.968 203 HG13 ILE 29 HG13 ILE 29 20.639 30.125 21.048 204 HG21 ILE 29 HG21 ILE 29 24.304 30.779 20.769 205 HG22 ILE 29 HG22 ILE 29 23.930 31.669 22.246 206 HG23 ILE 29 HG23 ILE 29 24.744 30.103 22.346 207 HD11 ILE 29 HD11 ILE 29 20.464 32.528 20.817 208 HD12 ILE 29 HD12 ILE 29 20.957 32.151 22.476 209 HD13 ILE 29 HD13 ILE 29 22.151 32.758 21.308 210 HA PRO 30 HA PRO 30 23.487 26.991 17.714 211 HB2 PRO 30 HB2 PRO 30 21.219 26.570 16.272 212 HB3 PRO 30 HB3 PRO 30 21.783 25.438 17.547 213 HG2 PRO 30 HG2 PRO 30 19.654 27.589 17.761 214 HG3 PRO 30 HG3 PRO 30 19.592 25.899 18.348 215 HD2 PRO 30 HD2 PRO 30 20.249 28.051 19.939 216 HD3 PRO 30 HD3 PRO 30 20.883 26.406 20.225 217 H ARG 31 H ARG 31 24.425 28.520 16.563 218 HA ARG 31 HA ARG 31 22.799 30.652 15.246 219 HB2 ARG 31 HB2 ARG 31 25.622 31.013 16.310 220 HB3 ARG 31 HB3 ARG 31 24.725 32.157 15.298 221 HG2 ARG 31 HG2 ARG 31 22.953 32.232 17.150 222 HG3 ARG 31 HG3 ARG 31 24.112 31.353 18.167 223 HD2 ARG 31 HD2 ARG 31 25.801 33.193 17.594 224 HD3 ARG 31 HD3 ARG 31 24.484 34.087 16.847 225 HE ARG 31 HE ARG 31 24.957 33.630 19.721 226 HH11 ARG 31 HH12 ARG 31 22.648 35.038 17.395 227 HH12 ARG 31 HH11 ARG 31 21.810 35.831 18.693 228 HH21 ARG 31 HH21 ARG 31 23.876 34.749 21.179 229 HH22 ARG 31 HH22 ARG 31 22.445 35.688 20.701 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 9.541 26.590 35.663 2 H2 GLY 1 H2 GLY 1 10.215 25.543 36.735 3 H3 GLY 1 H3 GLY 1 9.116 24.996 35.638 4 HA2 GLY 1 HA2 GLY 1 11.356 24.356 35.036 5 HA3 GLY 1 HA3 GLY 1 10.591 25.402 33.827 6 H SER 2 H SER 2 13.789 27.097 34.211 7 HA SER 2 HA SER 2 12.586 24.693 32.899 8 HB2 SER 2 HB2 SER 2 13.041 27.355 31.498 9 HB3 SER 2 HB3 SER 2 12.430 25.860 30.759 10 HG SER 2 HG SER 2 11.021 27.742 31.838 11 H GLY 3 H GLY 3 15.296 25.776 34.161 12 HA2 GLY 3 HA2 GLY 3 17.182 25.154 31.966 13 HA3 GLY 3 HA3 GLY 3 17.589 25.788 33.555 14 H CYS 4 H CYS 4 18.932 23.706 32.326 15 HA CYS 4 HA CYS 4 17.992 21.120 33.396 16 HB2 CYS 4 HB2 CYS 4 19.592 22.114 31.193 17 HB3 CYS 4 HB3 CYS 4 20.538 20.961 32.084 18 H MET 5 H MET 5 20.978 23.035 33.529 19 HA MET 5 HA MET 5 21.121 23.112 36.358 20 HB2 MET 5 HB2 MET 5 23.107 21.360 34.856 21 HB3 MET 5 HB3 MET 5 23.638 22.308 36.256 22 HG2 MET 5 HG2 MET 5 21.792 21.203 37.559 23 HG3 MET 5 HG3 MET 5 21.594 20.080 36.214 24 HE1 MET 5 HE1 MET 5 23.033 18.054 35.707 25 HE2 MET 5 HE2 MET 5 24.257 19.181 35.081 26 HE3 MET 5 HE3 MET 5 24.732 17.877 36.191 27 H LYS 6 H LYS 6 21.947 25.040 36.830 28 HA LYS 6 HA LYS 6 22.812 26.929 34.837 29 HB2 LYS 6 HB2 LYS 6 23.136 26.972 37.866 30 HB3 LYS 6 HB3 LYS 6 23.335 28.366 36.798 31 HG2 LYS 6 HG2 LYS 6 20.966 28.204 36.102 32 HG3 LYS 6 HG3 LYS 6 20.733 26.796 37.133 33 HD2 LYS 6 HD2 LYS 6 21.368 29.624 38.043 34 HD3 LYS 6 HD3 LYS 6 19.827 28.781 38.193 35 HE2 LYS 6 HE2 LYS 6 22.429 28.131 39.641 36 HE3 LYS 6 HE3 LYS 6 20.955 28.810 40.333 37 HZ1 LYS 6 HZ1 LYS 6 21.242 26.065 39.238 38 HZ2 LYS 6 HZ2 LYS 6 21.080 26.469 40.794 39 HZ3 LYS 6 HZ3 LYS 6 19.819 26.687 39.747 40 H GLU 7 H GLU 7 24.636 25.019 37.238 41 HA GLU 7 HA GLU 7 27.205 26.147 36.649 42 HB2 GLU 7 HB2 GLU 7 26.513 23.371 37.745 43 HB3 GLU 7 HB3 GLU 7 28.103 24.098 37.727 44 HG2 GLU 7 HG2 GLU 7 27.386 24.390 39.906 45 HG3 GLU 7 HG3 GLU 7 27.208 25.980 39.173 46 H TYR 8 H TYR 8 25.568 23.295 35.361 47 HA TYR 8 HA TYR 8 27.608 22.174 33.749 48 HB2 TYR 8 HB2 TYR 8 25.501 21.085 34.439 49 HB3 TYR 8 HB3 TYR 8 24.583 22.242 33.489 50 HD1 TYR 8 HD2 TYR 8 27.368 19.757 32.922 51 HD2 TYR 8 HD1 TYR 8 23.659 21.464 31.518 52 HE1 TYR 8 HE2 TYR 8 27.327 18.142 31.024 53 HE2 TYR 8 HE1 TYR 8 23.601 19.837 29.647 54 HH TYR 8 HH TYR 8 24.736 18.159 28.565 55 H CYS 9 H CYS 9 25.123 24.625 32.984 56 HA CYS 9 HA CYS 9 26.042 24.960 30.227 57 HB2 CYS 9 HB2 CYS 9 23.739 25.394 30.775 58 HB3 CYS 9 HB3 CYS 9 24.190 26.590 31.999 59 H ALA 10 H ALA 10 26.328 27.071 33.190 60 HA ALA 10 HA ALA 10 27.794 29.058 31.831 61 HB1 ALA 10 HB1 ALA 10 26.561 29.394 33.946 62 HB2 ALA 10 HB2 ALA 10 27.742 28.380 34.806 63 HB3 ALA 10 HB3 ALA 10 28.248 29.927 34.094 64 H GLY 11 H GLY 11 29.028 26.129 33.439 65 HA2 GLY 11 HA2 GLY 11 31.809 26.918 33.357 66 HA3 GLY 11 HA3 GLY 11 31.167 25.290 33.608 67 H GLN 12 H GLN 12 29.694 25.704 30.847 68 HA GLN 12 HA GLN 12 32.045 24.829 29.187 69 HB2 GLN 12 HB2 GLN 12 29.115 24.010 29.056 70 HB3 GLN 12 HB3 GLN 12 30.385 23.439 27.983 71 HG2 GLN 12 HG2 GLN 12 30.250 22.958 30.997 72 HG3 GLN 12 HG3 GLN 12 29.857 21.789 29.746 73 HE21 GLN 12 HE22 GLN 12 31.932 21.664 31.893 74 HE22 GLN 12 HE21 GLN 12 33.420 21.322 31.002 75 H CYS 13 H CYS 13 29.151 26.877 29.200 76 HA CYS 13 HA CYS 13 29.842 27.916 26.495 77 HB2 CYS 13 HB2 CYS 13 27.123 27.293 27.675 78 HB3 CYS 13 HB3 CYS 13 27.410 28.038 26.099 79 H ARG 14 H ARG 14 29.761 30.073 26.206 80 HA ARG 14 HA ARG 14 29.080 31.802 28.560 81 HB2 ARG 14 HB2 ARG 14 31.583 32.036 26.893 82 HB3 ARG 14 HB3 ARG 14 31.117 32.958 28.334 83 HG2 ARG 14 HG2 ARG 14 31.193 30.813 29.661 84 HG3 ARG 14 HG3 ARG 14 31.887 30.001 28.254 85 HD2 ARG 14 HD2 ARG 14 33.115 32.408 29.666 86 HD3 ARG 14 HD3 ARG 14 33.551 30.739 29.991 87 HE ARG 14 HE ARG 14 34.325 32.361 27.653 88 HH11 ARG 14 HH11 ARG 14 34.373 29.046 28.944 89 HH12 ARG 14 HH12 ARG 14 35.704 28.635 27.887 90 HH21 ARG 14 HH21 ARG 14 35.980 31.766 26.527 91 HH22 ARG 14 HH22 ARG 14 36.678 30.153 26.665 92 H GLY 15 H GLY 15 29.324 34.115 28.099 93 HA2 GLY 15 HA2 GLY 15 28.463 35.978 26.931 94 HA3 GLY 15 HA3 GLY 15 27.892 34.937 25.620 95 H LYS 16 H LYS 16 26.618 36.902 27.643 96 HA LYS 16 HA LYS 16 24.922 35.619 29.503 97 HB2 LYS 16 HB2 LYS 16 25.475 38.078 29.273 98 HB3 LYS 16 HB3 LYS 16 24.340 38.158 27.923 99 HG2 LYS 16 HG2 LYS 16 22.502 37.431 29.504 100 HG3 LYS 16 HG3 LYS 16 23.692 37.458 30.827 101 HD2 LYS 16 HD2 LYS 16 24.125 39.879 30.305 102 HD3 LYS 16 HD3 LYS 16 22.845 39.803 29.074 103 HE2 LYS 16 HE2 LYS 16 21.217 39.170 30.863 104 HE3 LYS 16 HE3 LYS 16 22.500 39.377 32.068 105 HZ1 LYS 16 HZ1 LYS 16 21.412 41.495 30.277 106 HZ2 LYS 16 HZ2 LYS 16 21.172 41.401 31.881 107 HZ3 LYS 16 HZ3 LYS 16 22.667 41.739 31.294 108 H VAL 17 H VAL 17 24.470 36.000 26.020 109 HA VAL 17 HA VAL 17 21.670 35.215 26.081 110 HB VAL 17 HB VAL 17 22.713 36.684 24.353 111 HG11 VAL 17 HG11 VAL 17 23.822 35.803 22.446 112 HG12 VAL 17 HG12 VAL 17 24.729 35.218 23.847 113 HG13 VAL 17 HG13 VAL 17 23.628 34.128 22.982 114 HG21 VAL 17 HG21 VAL 17 21.117 34.261 23.459 115 HG22 VAL 17 HG22 VAL 17 20.499 35.809 24.039 116 HG23 VAL 17 HG23 VAL 17 21.355 35.722 22.486 117 H SER 18 H SER 18 24.719 33.389 25.515 118 HA SER 18 HA SER 18 23.284 30.935 24.822 119 HB2 SER 18 HB2 SER 18 25.720 31.475 24.240 120 HB3 SER 18 HB3 SER 18 26.118 31.086 25.923 121 HG SER 18 HG SER 18 26.116 29.376 24.145 122 H GLN 19 H GLN 19 24.942 32.191 27.798 123 HA GLN 19 HA GLN 19 23.889 30.264 29.592 124 HB2 GLN 19 HB2 GLN 19 24.842 33.121 29.916 125 HB3 GLN 19 HB3 GLN 19 24.309 32.130 31.274 126 HG2 GLN 19 HG2 GLN 19 25.963 30.371 30.684 127 HG3 GLN 19 HG3 GLN 19 26.486 31.320 29.292 128 HE21 GLN 19 HE22 GLN 19 28.583 30.849 30.466 129 HE22 GLN 19 HE21 GLN 19 29.100 32.153 31.549 130 H ASP 20 H ASP 20 22.007 32.698 28.063 131 HA ASP 20 HA ASP 20 19.745 32.368 29.973 132 HB2 ASP 20 HB2 ASP 20 19.958 34.547 29.203 133 HB3 ASP 20 HB3 ASP 20 20.212 34.055 27.524 134 H TYR 21 H TYR 21 20.484 31.657 26.515 135 HA TYR 21 HA TYR 21 18.081 30.340 25.891 136 HB2 TYR 21 HB2 TYR 21 20.061 31.050 24.403 137 HB3 TYR 21 HB3 TYR 21 20.802 29.506 24.817 138 HD1 TYR 21 HD2 TYR 21 19.557 27.354 24.145 139 HD2 TYR 21 HD1 TYR 21 18.373 31.251 22.784 140 HE1 TYR 21 HE2 TYR 21 18.133 26.308 22.392 141 HE2 TYR 21 HE1 TYR 21 17.011 30.213 20.991 142 HH TYR 21 HH TYR 21 16.559 26.676 20.783 143 H CYS 22 H CYS 22 21.029 28.973 27.455 144 HA CYS 22 HA CYS 22 20.055 26.246 27.400 145 HB2 CYS 22 HB2 CYS 22 21.884 25.776 28.902 146 HB3 CYS 22 HB3 CYS 22 22.421 26.847 27.603 147 H LEU 23 H LEU 23 19.483 28.944 29.580 148 HA LEU 23 HA LEU 23 18.214 27.297 31.656 149 HB2 LEU 23 HB2 LEU 23 19.022 30.113 31.177 150 HB3 LEU 23 HB3 LEU 23 17.531 29.923 32.097 151 HG LEU 23 HG LEU 23 18.625 28.588 33.792 152 HD11 LEU 23 HD11 LEU 23 21.193 28.878 32.172 153 HD12 LEU 23 HD12 LEU 23 21.066 28.209 33.811 154 HD13 LEU 23 HD13 LEU 23 20.318 27.353 32.476 155 HD21 LEU 23 HD21 LEU 23 20.185 30.296 34.663 156 HD22 LEU 23 HD22 LEU 23 20.268 31.045 33.047 157 HD23 LEU 23 HD23 LEU 23 18.741 31.049 33.957 158 H LYS 24 H LYS 24 17.201 28.335 28.628 159 HA LYS 24 HA LYS 24 14.286 28.002 29.265 160 HB2 LYS 24 HB2 LYS 24 15.813 29.258 26.964 161 HB3 LYS 24 HB3 LYS 24 14.068 28.968 26.911 162 HG2 LYS 24 HG2 LYS 24 13.644 30.509 28.665 163 HG3 LYS 24 HG3 LYS 24 15.341 30.548 29.157 164 HD2 LYS 24 HD2 LYS 24 15.996 31.705 27.152 165 HD3 LYS 24 HD3 LYS 24 14.360 31.575 26.471 166 HE2 LYS 24 HE2 LYS 24 13.461 33.035 28.207 167 HE3 LYS 24 HE3 LYS 24 15.018 33.073 29.044 168 HZ1 LYS 24 HZ1 LYS 24 14.678 34.096 26.275 169 HZ2 LYS 24 HZ2 LYS 24 14.592 35.061 27.581 170 HZ3 LYS 24 HZ3 LYS 24 15.990 34.247 27.249 171 H HIS 25 H HIS 25 16.972 26.487 27.760 172 HA HIS 25 HA HIS 25 15.254 24.416 26.411 173 HB2 HIS 25 HB2 HIS 25 17.508 26.038 25.205 174 HB3 HIS 25 HB3 HIS 25 16.803 24.622 24.450 175 HD2 HIS 25 HD2 HIS 25 16.070 28.308 25.013 176 HE1 HIS 25 HE1 HIS 25 12.645 26.694 23.053 177 HE2 HIS 25 HE2 HIS 25 13.739 28.831 23.893 178 H CYS 26 H CYS 26 17.915 24.474 28.599 179 HA CYS 26 HA CYS 26 19.476 22.996 29.168 180 HB2 CYS 26 HB2 CYS 26 17.513 21.373 28.907 181 HB3 CYS 26 HB3 CYS 26 18.239 20.914 27.370 182 H LYS 27 H LYS 27 19.399 24.192 26.090 183 HA LYS 27 HA LYS 27 21.882 22.803 25.140 184 HB2 LYS 27 HB2 LYS 27 19.917 24.448 23.542 185 HB3 LYS 27 HB3 LYS 27 21.203 23.444 22.901 186 HG2 LYS 27 HG2 LYS 27 20.024 21.414 23.358 187 HG3 LYS 27 HG3 LYS 27 18.868 22.219 24.419 188 HD2 LYS 27 HD2 LYS 27 18.173 23.649 22.404 189 HD3 LYS 27 HD3 LYS 27 19.116 22.513 21.422 190 HE2 LYS 27 HE2 LYS 27 17.671 20.665 22.157 191 HE3 LYS 27 HE3 LYS 27 16.811 21.741 23.276 192 HZ1 LYS 27 HZ1 LYS 27 16.039 23.026 21.367 193 HZ2 LYS 27 HZ2 LYS 27 16.897 22.104 20.336 194 HZ3 LYS 27 HZ3 LYS 27 15.627 21.428 21.150 195 H CYS 28 H CYS 28 23.597 24.004 24.387 196 HA CYS 28 HA CYS 28 23.714 26.886 25.005 197 HB2 CYS 28 HB2 CYS 28 25.735 25.184 23.528 198 HB3 CYS 28 HB3 CYS 28 25.962 26.809 24.180 199 H ILE 29 H ILE 29 23.854 28.552 23.450 200 HA ILE 29 HA ILE 29 21.626 28.232 21.820 201 HB ILE 29 HB ILE 29 22.164 30.232 23.023 202 HG12 ILE 29 HG12 ILE 29 21.804 30.796 20.059 203 HG13 ILE 29 HG13 ILE 29 20.551 30.195 21.154 204 HG21 ILE 29 HG21 ILE 29 24.116 31.050 20.854 205 HG22 ILE 29 HG22 ILE 29 23.761 31.856 22.397 206 HG23 ILE 29 HG23 ILE 29 24.640 30.326 22.378 207 HD11 ILE 29 HD11 ILE 29 20.787 32.244 22.531 208 HD12 ILE 29 HD12 ILE 29 21.946 32.892 21.339 209 HD13 ILE 29 HD13 ILE 29 20.268 32.574 20.869 210 HA PRO 30 HA PRO 30 23.521 27.569 17.739 211 HB2 PRO 30 HB2 PRO 30 21.365 26.699 16.383 212 HB3 PRO 30 HB3 PRO 30 22.164 25.698 17.630 213 HG2 PRO 30 HG2 PRO 30 19.646 27.340 17.867 214 HG3 PRO 30 HG3 PRO 30 19.964 25.700 18.505 215 HD2 PRO 30 HD2 PRO 30 20.173 28.086 19.969 216 HD3 PRO 30 HD3 PRO 30 21.003 26.558 20.386 217 H ARG 31 H ARG 31 23.906 29.006 16.173 218 HA ARG 31 HA ARG 31 22.028 30.902 15.042 219 HB2 ARG 31 HB2 ARG 31 23.376 32.927 15.794 220 HB3 ARG 31 HB3 ARG 31 22.301 32.201 16.978 221 HG2 ARG 31 HG2 ARG 31 24.197 31.049 18.058 222 HG3 ARG 31 HG3 ARG 31 25.319 31.768 16.881 223 HD2 ARG 31 HD2 ARG 31 24.730 34.011 17.703 224 HD3 ARG 31 HD3 ARG 31 23.531 33.298 18.809 225 HE ARG 31 HE ARG 31 25.969 32.046 19.394 226 HH11 ARG 31 HH11 ARG 31 24.730 35.336 19.620 227 HH12 ARG 31 HH12 ARG 31 25.880 35.710 20.928 228 HH21 ARG 31 HH21 ARG 31 27.333 32.663 21.055 229 HH22 ARG 31 HH22 ARG 31 27.253 34.331 21.632 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 11.325 25.975 25.974 2 H2 GLY 1 H2 GLY 1 11.812 24.774 24.959 3 H3 GLY 1 H3 GLY 1 12.821 25.268 26.165 4 HA2 GLY 1 HA2 GLY 1 10.199 23.968 26.563 5 HA3 GLY 1 HA3 GLY 1 11.754 23.125 26.634 6 H SER 2 H SER 2 12.822 23.053 28.554 7 HA SER 2 HA SER 2 12.549 25.243 30.488 8 HB2 SER 2 HB2 SER 2 12.090 23.840 32.417 9 HB3 SER 2 HB3 SER 2 10.774 23.769 31.246 10 HG SER 2 HG SER 2 10.988 21.742 31.426 11 H GLY 3 H GLY 3 14.140 25.180 32.209 12 HA2 GLY 3 HA2 GLY 3 16.695 24.787 30.963 13 HA3 GLY 3 HA3 GLY 3 16.394 25.498 32.536 14 H CYS 4 H CYS 4 18.573 23.889 31.855 15 HA CYS 4 HA CYS 4 18.124 21.275 33.192 16 HB2 CYS 4 HB2 CYS 4 19.968 22.211 31.084 17 HB3 CYS 4 HB3 CYS 4 20.654 21.112 32.275 18 H MET 5 H MET 5 21.174 23.126 33.374 19 HA MET 5 HA MET 5 20.711 23.819 36.186 20 HB2 MET 5 HB2 MET 5 22.852 21.803 35.372 21 HB3 MET 5 HB3 MET 5 22.967 22.798 36.830 22 HG2 MET 5 HG2 MET 5 20.740 21.900 37.558 23 HG3 MET 5 HG3 MET 5 20.824 20.741 36.233 24 HE1 MET 5 HE1 MET 5 23.778 19.668 36.100 25 HE2 MET 5 HE2 MET 5 23.647 18.329 37.265 26 HE3 MET 5 HE3 MET 5 22.310 18.661 36.160 27 H LYS 6 H LYS 6 21.762 25.612 36.736 28 HA LYS 6 HA LYS 6 22.934 27.359 34.863 29 HB2 LYS 6 HB2 LYS 6 21.895 27.785 37.183 30 HB3 LYS 6 HB3 LYS 6 23.465 27.349 37.861 31 HG2 LYS 6 HG2 LYS 6 24.454 29.231 36.407 32 HG3 LYS 6 HG3 LYS 6 22.777 29.681 36.012 33 HD2 LYS 6 HD2 LYS 6 22.392 29.770 38.574 34 HD3 LYS 6 HD3 LYS 6 24.133 29.598 38.741 35 HE2 LYS 6 HE2 LYS 6 23.809 31.884 38.909 36 HE3 LYS 6 HE3 LYS 6 24.354 31.684 37.239 37 HZ1 LYS 6 HZ1 LYS 6 22.411 33.176 37.640 38 HZ2 LYS 6 HZ2 LYS 6 22.081 32.035 36.503 39 HZ3 LYS 6 HZ3 LYS 6 21.488 31.870 38.029 40 H GLU 7 H GLU 7 24.589 25.164 37.155 41 HA GLU 7 HA GLU 7 27.263 25.875 36.475 42 HB2 GLU 7 HB2 GLU 7 26.132 23.229 37.513 43 HB3 GLU 7 HB3 GLU 7 27.834 23.665 37.429 44 HG2 GLU 7 HG2 GLU 7 27.460 24.185 39.588 45 HG3 GLU 7 HG3 GLU 7 27.150 25.756 38.860 46 H TYR 8 H TYR 8 25.066 23.511 34.908 47 HA TYR 8 HA TYR 8 27.155 22.475 33.137 48 HB2 TYR 8 HB2 TYR 8 25.085 21.207 33.742 49 HB3 TYR 8 HB3 TYR 8 24.128 22.365 32.828 50 HD1 TYR 8 HD2 TYR 8 27.000 19.975 32.513 51 HD2 TYR 8 HD1 TYR 8 23.827 22.044 30.455 52 HE1 TYR 8 HE2 TYR 8 27.470 18.647 30.459 53 HE2 TYR 8 HE1 TYR 8 24.305 20.718 28.401 54 HH TYR 8 HH TYR 8 26.877 18.207 28.309 55 H CYS 9 H CYS 9 24.536 24.891 32.860 56 HA CYS 9 HA CYS 9 25.076 25.681 30.186 57 HB2 CYS 9 HB2 CYS 9 23.873 27.256 32.491 58 HB3 CYS 9 HB3 CYS 9 23.762 27.687 30.791 59 H ALA 10 H ALA 10 26.472 26.989 33.253 60 HA ALA 10 HA ALA 10 28.231 28.854 31.884 61 HB1 ALA 10 HB1 ALA 10 28.346 27.647 34.686 62 HB2 ALA 10 HB2 ALA 10 29.293 29.034 34.103 63 HB3 ALA 10 HB3 ALA 10 27.534 29.163 34.229 64 H GLY 11 H GLY 11 28.485 25.422 32.780 65 HA2 GLY 11 HA2 GLY 11 31.268 25.063 32.351 66 HA3 GLY 11 HA3 GLY 11 30.014 23.823 32.213 67 H GLN 12 H GLN 12 28.502 24.681 30.101 68 HA GLN 12 HA GLN 12 30.302 24.085 27.835 69 HB2 GLN 12 HB2 GLN 12 27.269 24.103 28.127 70 HB3 GLN 12 HB3 GLN 12 28.149 23.545 26.711 71 HG2 GLN 12 HG2 GLN 12 28.180 22.270 29.475 72 HG3 GLN 12 HG3 GLN 12 27.384 21.670 28.024 73 HE21 GLN 12 HE22 GLN 12 29.119 21.562 26.019 74 HE22 GLN 12 HE21 GLN 12 30.523 20.619 26.495 75 H CYS 13 H CYS 13 27.882 26.633 28.651 76 HA CYS 13 HA CYS 13 28.174 27.719 25.919 77 HB2 CYS 13 HB2 CYS 13 26.163 28.640 27.939 78 HB3 CYS 13 HB3 CYS 13 26.086 28.685 26.181 79 H ARG 14 H ARG 14 28.503 29.995 25.507 80 HA ARG 14 HA ARG 14 29.449 31.654 27.817 81 HB2 ARG 14 HB2 ARG 14 30.826 31.179 25.155 82 HB3 ARG 14 HB3 ARG 14 31.203 32.496 26.264 83 HG2 ARG 14 HG2 ARG 14 32.818 31.070 26.872 84 HG3 ARG 14 HG3 ARG 14 31.582 30.639 28.044 85 HD2 ARG 14 HD2 ARG 14 31.040 28.629 26.571 86 HD3 ARG 14 HD3 ARG 14 32.358 29.129 25.512 87 HE ARG 14 HE ARG 14 33.870 28.202 26.976 88 HH11 ARG 14 HH21 ARG 14 30.875 28.623 28.802 89 HH12 ARG 14 HH22 ARG 14 31.532 27.890 30.225 90 HH21 ARG 14 HH11 ARG 14 34.724 27.556 28.946 91 HH22 ARG 14 HH12 ARG 14 33.651 27.322 30.302 92 H GLY 15 H GLY 15 29.257 33.758 27.742 93 HA2 GLY 15 HA2 GLY 15 28.392 35.835 26.962 94 HA3 GLY 15 HA3 GLY 15 27.557 35.011 25.643 95 H LYS 16 H LYS 16 26.643 36.766 27.923 96 HA LYS 16 HA LYS 16 25.289 35.265 29.920 97 HB2 LYS 16 HB2 LYS 16 25.766 38.013 29.294 98 HB3 LYS 16 HB3 LYS 16 24.021 37.862 29.390 99 HG2 LYS 16 HG2 LYS 16 26.023 37.048 31.540 100 HG3 LYS 16 HG3 LYS 16 25.040 38.515 31.524 101 HD2 LYS 16 HD2 LYS 16 22.976 37.091 31.573 102 HD3 LYS 16 HD3 LYS 16 23.993 35.659 31.786 103 HE2 LYS 16 HE2 LYS 16 23.814 38.063 33.663 104 HE3 LYS 16 HE3 LYS 16 23.080 36.480 33.916 105 HZ1 LYS 16 HZ1 LYS 16 25.964 37.142 33.971 106 HZ2 LYS 16 HZ2 LYS 16 25.064 36.517 35.145 107 HZ3 LYS 16 HZ3 LYS 16 25.425 35.568 33.862 108 H VAL 17 H VAL 17 24.297 35.922 26.656 109 HA VAL 17 HA VAL 17 21.454 35.252 27.152 110 HB VAL 17 HB VAL 17 22.880 35.709 24.511 111 HG11 VAL 17 HG11 VAL 17 20.587 36.250 23.704 112 HG12 VAL 17 HG12 VAL 17 20.708 34.573 24.241 113 HG13 VAL 17 HG13 VAL 17 19.929 35.782 25.286 114 HG21 VAL 17 HG21 VAL 17 21.417 37.650 26.340 115 HG22 VAL 17 HG22 VAL 17 23.128 37.711 25.865 116 HG23 VAL 17 HG23 VAL 17 21.878 38.001 24.653 117 H SER 18 H SER 18 24.357 33.738 25.622 118 HA SER 18 HA SER 18 23.151 31.351 24.741 119 HB2 SER 18 HB2 SER 18 25.962 31.591 25.848 120 HB3 SER 18 HB3 SER 18 25.393 30.642 24.477 121 HG SER 18 HG SER 18 26.588 32.803 24.295 122 H GLN 19 H GLN 19 25.001 32.042 27.785 123 HA GLN 19 HA GLN 19 24.354 29.614 29.128 124 HB2 GLN 19 HB2 GLN 19 24.900 32.424 30.168 125 HB3 GLN 19 HB3 GLN 19 24.809 30.983 31.198 126 HG2 GLN 19 HG2 GLN 19 26.626 29.912 29.952 127 HG3 GLN 19 HG3 GLN 19 26.738 31.279 28.848 128 HE21 GLN 19 HE22 GLN 19 29.018 30.588 29.938 129 HE22 GLN 19 HE21 GLN 19 29.474 31.801 31.143 130 H ASP 20 H ASP 20 22.270 32.468 28.710 131 HA ASP 20 HA ASP 20 20.238 31.491 30.582 132 HB2 ASP 20 HB2 ASP 20 20.586 33.851 30.328 133 HB3 ASP 20 HB3 ASP 20 20.343 33.763 28.585 134 H TYR 21 H TYR 21 20.645 31.429 26.998 135 HA TYR 21 HA TYR 21 18.137 30.261 26.346 136 HB2 TYR 21 HB2 TYR 21 19.772 31.168 24.741 137 HB3 TYR 21 HB3 TYR 21 20.880 29.859 25.101 138 HD1 TYR 21 HD1 TYR 21 20.487 27.569 24.250 139 HD2 TYR 21 HD2 TYR 21 17.801 30.814 23.290 140 HE1 TYR 21 HE1 TYR 21 19.579 26.272 22.353 141 HE2 TYR 21 HE2 TYR 21 16.873 29.472 21.404 142 HH TYR 21 HH TYR 21 16.977 27.436 20.227 143 H CYS 22 H CYS 22 21.077 28.785 27.671 144 HA CYS 22 HA CYS 22 20.153 26.024 27.428 145 HB2 CYS 22 HB2 CYS 22 22.463 26.513 27.501 146 HB3 CYS 22 HB3 CYS 22 22.323 27.454 28.976 147 H LEU 23 H LEU 23 19.558 28.546 29.766 148 HA LEU 23 HA LEU 23 18.174 26.853 31.715 149 HB2 LEU 23 HB2 LEU 23 19.115 29.621 31.411 150 HB3 LEU 23 HB3 LEU 23 17.472 29.569 32.015 151 HG LEU 23 HG LEU 23 18.152 28.164 33.905 152 HD11 LEU 23 HD11 LEU 23 20.043 26.891 32.964 153 HD12 LEU 23 HD12 LEU 23 20.970 28.393 32.739 154 HD13 LEU 23 HD13 LEU 23 20.578 27.806 34.372 155 HD21 LEU 23 HD21 LEU 23 19.578 29.895 34.989 156 HD22 LEU 23 HD22 LEU 23 19.875 30.603 33.377 157 HD23 LEU 23 HD23 LEU 23 18.233 30.591 34.059 158 H LYS 24 H LYS 24 17.321 28.159 28.668 159 HA LYS 24 HA LYS 24 14.392 27.792 29.193 160 HB2 LYS 24 HB2 LYS 24 15.938 28.973 26.864 161 HB3 LYS 24 HB3 LYS 24 14.183 28.741 26.883 162 HG2 LYS 24 HG2 LYS 24 13.961 30.299 28.745 163 HG3 LYS 24 HG3 LYS 24 15.731 30.466 28.856 164 HD2 LYS 24 HD2 LYS 24 15.878 31.525 26.719 165 HD3 LYS 24 HD3 LYS 24 14.204 31.122 26.324 166 HE2 LYS 24 HE2 LYS 24 14.345 33.472 26.819 167 HE3 LYS 24 HE3 LYS 24 13.367 32.650 28.037 168 HZ1 LYS 24 HZ1 LYS 24 15.273 32.739 29.547 169 HZ2 LYS 24 HZ2 LYS 24 16.205 33.500 28.433 170 HZ3 LYS 24 HZ3 LYS 24 14.889 34.246 29.017 171 H HIS 25 H HIS 25 17.112 26.332 27.549 172 HA HIS 25 HA HIS 25 15.323 24.291 26.284 173 HB2 HIS 25 HB2 HIS 25 17.595 25.874 25.035 174 HB3 HIS 25 HB3 HIS 25 16.671 24.623 24.227 175 HD2 HIS 25 HD2 HIS 25 16.643 28.291 24.817 176 HE1 HIS 25 HE1 HIS 25 12.784 27.394 23.260 177 HE2 HIS 25 HE2 HIS 25 14.442 29.268 23.767 178 H CYS 26 H CYS 26 17.935 24.187 28.438 179 HA CYS 26 HA CYS 26 19.421 22.616 28.972 180 HB2 CYS 26 HB2 CYS 26 17.374 20.941 27.549 181 HB3 CYS 26 HB3 CYS 26 18.833 20.205 28.172 182 H LYS 27 H LYS 27 19.636 23.816 26.021 183 HA LYS 27 HA LYS 27 22.275 22.538 25.596 184 HB2 LYS 27 HB2 LYS 27 21.980 22.497 23.206 185 HB3 LYS 27 HB3 LYS 27 20.758 21.493 23.978 186 HG2 LYS 27 HG2 LYS 27 19.054 23.298 23.605 187 HG3 LYS 27 HG3 LYS 27 20.330 24.315 22.903 188 HD2 LYS 27 HD2 LYS 27 20.755 22.479 21.231 189 HD3 LYS 27 HD3 LYS 27 19.282 21.689 21.800 190 HE2 LYS 27 HE2 LYS 27 17.885 23.260 20.806 191 HE3 LYS 27 HE3 LYS 27 19.050 24.582 20.998 192 HZ1 LYS 27 HZ1 LYS 27 20.354 23.709 19.225 193 HZ2 LYS 27 HZ2 LYS 27 19.433 22.365 19.081 194 HZ3 LYS 27 HZ3 LYS 27 18.806 23.821 18.639 195 H CYS 28 H CYS 28 23.725 23.855 24.314 196 HA CYS 28 HA CYS 28 23.522 26.711 24.937 197 HB2 CYS 28 HB2 CYS 28 25.556 25.218 23.262 198 HB3 CYS 28 HB3 CYS 28 25.687 26.894 23.798 199 H ILE 29 H ILE 29 23.732 28.428 23.355 200 HA ILE 29 HA ILE 29 21.526 28.190 21.584 201 HB ILE 29 HB ILE 29 22.016 30.077 23.068 202 HG12 ILE 29 HG12 ILE 29 21.570 30.885 20.177 203 HG13 ILE 29 HG13 ILE 29 20.355 30.186 21.256 204 HG21 ILE 29 HG21 ILE 29 24.474 30.294 22.438 205 HG22 ILE 29 HG22 ILE 29 23.918 31.115 20.963 206 HG23 ILE 29 HG23 ILE 29 23.559 31.805 22.548 207 HD11 ILE 29 HD11 ILE 29 20.668 32.136 22.812 208 HD12 ILE 29 HD12 ILE 29 21.722 32.883 21.588 209 HD13 ILE 29 HD13 ILE 29 20.022 32.564 21.214 210 HA PRO 30 HA PRO 30 23.521 27.200 17.712 211 HB2 PRO 30 HB2 PRO 30 21.220 28.754 16.522 212 HB3 PRO 30 HB3 PRO 30 21.873 27.158 16.047 213 HG2 PRO 30 HG2 PRO 30 19.624 27.303 17.536 214 HG3 PRO 30 HG3 PRO 30 20.894 26.107 17.963 215 HD2 PRO 30 HD2 PRO 30 20.372 28.828 19.194 216 HD3 PRO 30 HD3 PRO 30 20.688 27.253 19.987 217 H ARG 31 H ARG 31 24.297 28.164 15.675 218 HA ARG 31 HA ARG 31 25.009 31.057 15.741 219 HB2 ARG 31 HB2 ARG 31 27.406 30.418 15.315 220 HB3 ARG 31 HB3 ARG 31 26.831 30.105 16.946 221 HG2 ARG 31 HG2 ARG 31 26.611 27.722 16.500 222 HG3 ARG 31 HG3 ARG 31 27.030 27.944 14.790 223 HD2 ARG 31 HD2 ARG 31 29.269 28.461 15.269 224 HD3 ARG 31 HD3 ARG 31 28.905 28.901 16.938 225 HE ARG 31 HE ARG 31 28.877 26.102 15.873 226 HH11 ARG 31 HH21 ARG 31 29.667 28.251 18.563 227 HH12 ARG 31 HH22 ARG 31 29.869 26.902 19.660 228 HH21 ARG 31 HH11 ARG 31 29.396 24.501 17.251 229 HH22 ARG 31 HH12 ARG 31 29.722 24.831 18.928 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 14.171 31.072 37.803 2 H2 GLY 1 H2 GLY 1 15.477 30.998 36.799 3 H3 GLY 1 H3 GLY 1 15.673 30.829 38.429 4 HA2 GLY 1 HA2 GLY 1 14.493 28.777 38.459 5 HA3 GLY 1 HA3 GLY 1 14.181 28.949 36.722 6 H SER 2 H SER 2 15.572 26.744 38.004 7 HA SER 2 HA SER 2 18.436 27.095 37.568 8 HB2 SER 2 HB2 SER 2 18.547 24.688 38.160 9 HB3 SER 2 HB3 SER 2 17.704 25.684 39.354 10 HG SER 2 HG SER 2 16.504 23.872 39.047 11 H GLY 3 H GLY 3 15.853 26.320 35.421 12 HA2 GLY 3 HA2 GLY 3 15.810 25.635 33.199 13 HA3 GLY 3 HA3 GLY 3 17.475 26.196 33.130 14 H CYS 4 H CYS 4 18.653 24.658 32.182 15 HA CYS 4 HA CYS 4 18.352 21.827 32.619 16 HB2 CYS 4 HB2 CYS 4 19.474 23.177 30.691 17 HB3 CYS 4 HB3 CYS 4 20.924 23.133 31.696 18 H MET 5 H MET 5 21.250 23.716 33.545 19 HA MET 5 HA MET 5 20.741 23.668 36.341 20 HB2 MET 5 HB2 MET 5 23.248 22.160 35.431 21 HB3 MET 5 HB3 MET 5 22.887 22.686 37.064 22 HG2 MET 5 HG2 MET 5 20.860 21.170 37.012 23 HG3 MET 5 HG3 MET 5 21.466 20.554 35.465 24 HE1 MET 5 HE1 MET 5 21.849 20.725 39.285 25 HE2 MET 5 HE2 MET 5 23.320 19.784 39.611 26 HE3 MET 5 HE3 MET 5 23.438 21.409 38.903 27 H LYS 6 H LYS 6 21.952 25.464 37.262 28 HA LYS 6 HA LYS 6 22.911 27.406 35.392 29 HB2 LYS 6 HB2 LYS 6 23.353 27.193 38.399 30 HB3 LYS 6 HB3 LYS 6 23.865 28.560 37.401 31 HG2 LYS 6 HG2 LYS 6 21.466 28.869 36.679 32 HG3 LYS 6 HG3 LYS 6 20.999 27.655 37.886 33 HD2 LYS 6 HD2 LYS 6 22.035 29.062 39.678 34 HD3 LYS 6 HD3 LYS 6 22.544 30.230 38.450 35 HE2 LYS 6 HE2 LYS 6 20.101 30.494 37.811 36 HE3 LYS 6 HE3 LYS 6 19.678 29.542 39.245 37 HZ1 LYS 6 HZ1 LYS 6 20.608 31.278 40.637 38 HZ2 LYS 6 HZ2 LYS 6 21.352 31.991 39.372 39 HZ3 LYS 6 HZ3 LYS 6 19.733 32.064 39.494 40 H GLU 7 H GLU 7 24.819 25.219 37.468 41 HA GLU 7 HA GLU 7 27.396 26.115 36.600 42 HB2 GLU 7 HB2 GLU 7 26.297 23.690 38.019 43 HB3 GLU 7 HB3 GLU 7 27.875 23.554 37.300 44 HG2 GLU 7 HG2 GLU 7 28.282 24.121 39.490 45 HG3 GLU 7 HG3 GLU 7 28.674 25.528 38.534 46 H TYR 8 H TYR 8 25.272 23.573 35.286 47 HA TYR 8 HA TYR 8 27.164 22.467 33.409 48 HB2 TYR 8 HB2 TYR 8 25.106 21.295 34.100 49 HB3 TYR 8 HB3 TYR 8 24.118 22.546 33.352 50 HD1 TYR 8 HD1 TYR 8 26.768 20.026 32.534 51 HD2 TYR 8 HD2 TYR 8 23.376 22.272 31.111 52 HE1 TYR 8 HE1 TYR 8 26.796 18.729 30.418 53 HE2 TYR 8 HE2 TYR 8 23.391 20.954 28.998 54 HH TYR 8 HH TYR 8 25.875 18.430 28.367 55 H CYS 9 H CYS 9 24.568 24.928 33.051 56 HA CYS 9 HA CYS 9 25.188 25.545 30.323 57 HB2 CYS 9 HB2 CYS 9 23.748 27.110 32.495 58 HB3 CYS 9 HB3 CYS 9 23.796 27.580 30.799 59 H ALA 10 H ALA 10 26.400 27.028 33.393 60 HA ALA 10 HA ALA 10 28.017 29.020 32.114 61 HB1 ALA 10 HB1 ALA 10 28.332 27.631 34.810 62 HB2 ALA 10 HB2 ALA 10 29.114 29.147 34.316 63 HB3 ALA 10 HB3 ALA 10 27.353 29.078 34.490 64 H GLY 11 H GLY 11 28.668 25.606 32.905 65 HA2 GLY 11 HA2 GLY 11 31.476 25.641 32.250 66 HA3 GLY 11 HA3 GLY 11 30.434 24.223 32.444 67 H GLN 12 H GLN 12 28.587 24.468 30.407 68 HA GLN 12 HA GLN 12 30.214 23.785 28.074 69 HB2 GLN 12 HB2 GLN 12 27.217 23.827 28.604 70 HB3 GLN 12 HB3 GLN 12 27.917 23.315 27.073 71 HG2 GLN 12 HG2 GLN 12 28.568 22.013 29.756 72 HG3 GLN 12 HG3 GLN 12 27.334 21.446 28.640 73 HE21 GLN 12 HE22 GLN 12 29.337 19.666 29.365 74 HE22 GLN 12 HE21 GLN 12 30.300 19.382 27.920 75 H CYS 13 H CYS 13 27.958 26.454 28.855 76 HA CYS 13 HA CYS 13 28.369 27.561 26.136 77 HB2 CYS 13 HB2 CYS 13 26.112 28.177 28.035 78 HB3 CYS 13 HB3 CYS 13 26.207 28.518 26.319 79 H ARG 14 H ARG 14 28.151 29.983 25.955 80 HA ARG 14 HA ARG 14 29.424 31.482 28.226 81 HB2 ARG 14 HB2 ARG 14 30.346 31.392 25.327 82 HB3 ARG 14 HB3 ARG 14 30.988 32.489 26.545 83 HG2 ARG 14 HG2 ARG 14 31.240 29.472 26.663 84 HG3 ARG 14 HG3 ARG 14 32.481 30.611 26.153 85 HD2 ARG 14 HD2 ARG 14 32.478 31.674 28.382 86 HD3 ARG 14 HD3 ARG 14 31.252 30.545 28.954 87 HE ARG 14 HE ARG 14 34.096 30.083 28.675 88 HH11 ARG 14 HH11 ARG 14 31.010 28.388 28.903 89 HH12 ARG 14 HH12 ARG 14 31.808 26.862 29.203 90 HH21 ARG 14 HH21 ARG 14 34.965 28.104 29.231 91 HH22 ARG 14 HH22 ARG 14 33.981 26.669 29.177 92 H GLY 15 H GLY 15 29.832 33.879 27.151 93 HA2 GLY 15 HA2 GLY 15 29.000 35.863 26.448 94 HA3 GLY 15 HA3 GLY 15 27.935 34.934 25.408 95 H LYS 16 H LYS 16 27.253 34.225 28.534 96 HA LYS 16 HA LYS 16 25.577 34.379 29.965 97 HB2 LYS 16 HB2 LYS 16 26.534 36.647 30.287 98 HB3 LYS 16 HB3 LYS 16 25.292 37.286 29.216 99 HG2 LYS 16 HG2 LYS 16 23.529 36.517 30.784 100 HG3 LYS 16 HG3 LYS 16 24.736 35.647 31.745 101 HD2 LYS 16 HD2 LYS 16 25.862 37.873 32.205 102 HD3 LYS 16 HD3 LYS 16 24.463 38.672 31.482 103 HE2 LYS 16 HE2 LYS 16 24.287 36.682 33.792 104 HE3 LYS 16 HE3 LYS 16 24.516 38.413 34.046 105 HZ1 LYS 16 HZ1 LYS 16 22.169 37.756 34.178 106 HZ2 LYS 16 HZ2 LYS 16 22.420 38.836 32.962 107 HZ3 LYS 16 HZ3 LYS 16 22.184 37.263 32.620 108 H VAL 17 H VAL 17 24.860 35.586 26.808 109 HA VAL 17 HA VAL 17 22.029 35.016 26.773 110 HB VAL 17 HB VAL 17 24.099 35.422 24.588 111 HG11 VAL 17 HG11 VAL 17 22.155 36.008 23.133 112 HG12 VAL 17 HG12 VAL 17 22.142 34.304 23.599 113 HG13 VAL 17 HG13 VAL 17 21.055 35.455 24.408 114 HG21 VAL 17 HG21 VAL 17 23.822 37.407 26.057 115 HG22 VAL 17 HG22 VAL 17 23.134 37.703 24.459 116 HG23 VAL 17 HG23 VAL 17 22.063 37.331 25.818 117 H SER 18 H SER 18 24.911 33.105 25.585 118 HA SER 18 HA SER 18 23.194 30.952 24.624 119 HB2 SER 18 HB2 SER 18 25.532 31.417 23.820 120 HB3 SER 18 HB3 SER 18 26.131 30.817 25.372 121 HG SER 18 HG SER 18 26.157 29.130 24.077 122 H GLN 19 H GLN 19 25.005 31.581 27.643 123 HA GLN 19 HA GLN 19 24.139 29.333 29.169 124 HB2 GLN 19 HB2 GLN 19 24.781 32.217 29.870 125 HB3 GLN 19 HB3 GLN 19 24.420 31.005 31.105 126 HG2 GLN 19 HG2 GLN 19 26.324 29.737 30.656 127 HG3 GLN 19 HG3 GLN 19 26.551 30.403 29.044 128 HE21 GLN 19 HE22 GLN 19 28.833 30.359 30.156 129 HE22 GLN 19 HE21 GLN 19 29.281 31.967 30.725 130 H ASP 20 H ASP 20 22.401 32.456 28.569 131 HA ASP 20 HA ASP 20 20.133 31.832 30.202 132 HB2 ASP 20 HB2 ASP 20 20.687 34.106 29.578 133 HB3 ASP 20 HB3 ASP 20 20.490 33.746 27.864 134 H TYR 21 H TYR 21 20.670 31.451 26.651 135 HA TYR 21 HA TYR 21 18.206 30.160 26.092 136 HB2 TYR 21 HB2 TYR 21 20.129 30.996 24.543 137 HB3 TYR 21 HB3 TYR 21 20.805 29.388 24.745 138 HD1 TYR 21 HD1 TYR 21 17.940 31.386 23.551 139 HD2 TYR 21 HD2 TYR 21 19.723 27.458 23.570 140 HE1 TYR 21 HE1 TYR 21 16.375 30.682 21.755 141 HE2 TYR 21 HE2 TYR 21 18.149 26.757 21.748 142 HH TYR 21 HH TYR 21 15.731 29.038 20.389 143 H CYS 22 H CYS 22 21.266 28.754 27.328 144 HA CYS 22 HA CYS 22 20.360 26.011 27.278 145 HB2 CYS 22 HB2 CYS 22 22.677 26.596 27.310 146 HB3 CYS 22 HB3 CYS 22 22.520 27.477 28.817 147 H LEU 23 H LEU 23 19.963 28.612 29.622 148 HA LEU 23 HA LEU 23 18.623 27.035 31.634 149 HB2 LEU 23 HB2 LEU 23 19.507 29.784 31.130 150 HB3 LEU 23 HB3 LEU 23 17.915 29.774 31.829 151 HG LEU 23 HG LEU 23 18.688 28.554 33.793 152 HD11 LEU 23 HD11 LEU 23 21.418 28.508 32.431 153 HD12 LEU 23 HD12 LEU 23 21.116 28.110 34.138 154 HD13 LEU 23 HD13 LEU 23 20.433 27.093 32.876 155 HD21 LEU 23 HD21 LEU 23 20.563 30.819 32.979 156 HD22 LEU 23 HD22 LEU 23 18.946 31.005 33.701 157 HD23 LEU 23 HD23 LEU 23 20.257 30.281 34.652 158 H LYS 24 H LYS 24 17.552 28.126 28.597 159 HA LYS 24 HA LYS 24 14.660 27.746 29.291 160 HB2 LYS 24 HB2 LYS 24 16.064 28.966 26.884 161 HB3 LYS 24 HB3 LYS 24 14.320 28.699 26.991 162 HG2 LYS 24 HG2 LYS 24 14.182 30.212 28.914 163 HG3 LYS 24 HG3 LYS 24 15.938 30.462 28.865 164 HD2 LYS 24 HD2 LYS 24 15.837 31.529 26.713 165 HD3 LYS 24 HD3 LYS 24 14.160 31.036 26.473 166 HE2 LYS 24 HE2 LYS 24 14.150 33.357 26.975 167 HE3 LYS 24 HE3 LYS 24 13.446 32.496 28.349 168 HZ1 LYS 24 HZ1 LYS 24 15.466 32.836 29.579 169 HZ2 LYS 24 HZ2 LYS 24 16.289 33.373 28.275 170 HZ3 LYS 24 HZ3 LYS 24 15.110 34.298 28.882 171 H HIS 25 H HIS 25 17.289 26.262 27.596 172 HA HIS 25 HA HIS 25 15.468 24.231 26.329 173 HB2 HIS 25 HB2 HIS 25 17.669 25.897 25.042 174 HB3 HIS 25 HB3 HIS 25 16.866 24.542 24.263 175 HD2 HIS 25 HD2 HIS 25 16.409 28.221 24.811 176 HE1 HIS 25 HE1 HIS 25 12.723 26.787 23.238 177 HE2 HIS 25 HE2 HIS 25 14.056 28.873 23.786 178 H CYS 26 H CYS 26 18.168 24.236 28.374 179 HA CYS 26 HA CYS 26 19.906 22.842 28.734 180 HB2 CYS 26 HB2 CYS 26 17.829 20.979 27.676 181 HB3 CYS 26 HB3 CYS 26 19.455 20.361 27.798 182 H LYS 27 H LYS 27 19.831 24.183 25.922 183 HA LYS 27 HA LYS 27 22.332 22.849 24.994 184 HB2 LYS 27 HB2 LYS 27 21.661 23.073 22.664 185 HB3 LYS 27 HB3 LYS 27 20.545 22.053 23.557 186 HG2 LYS 27 HG2 LYS 27 19.089 24.225 23.799 187 HG3 LYS 27 HG3 LYS 27 20.154 24.918 22.583 188 HD2 LYS 27 HD2 LYS 27 18.154 24.130 21.519 189 HD3 LYS 27 HD3 LYS 27 19.486 23.078 21.009 190 HE2 LYS 27 HE2 LYS 27 18.777 21.334 22.558 191 HE3 LYS 27 HE3 LYS 27 17.600 22.412 23.319 192 HZ1 LYS 27 HZ1 LYS 27 17.457 21.467 20.506 193 HZ2 LYS 27 HZ2 LYS 27 16.593 20.865 21.723 194 HZ3 LYS 27 HZ3 LYS 27 16.332 22.428 21.280 195 H CYS 28 H CYS 28 23.756 24.138 23.810 196 HA CYS 28 HA CYS 28 23.765 26.977 24.602 197 HB2 CYS 28 HB2 CYS 28 25.651 25.484 22.753 198 HB3 CYS 28 HB3 CYS 28 25.879 27.095 23.396 199 H ILE 29 H ILE 29 23.727 28.733 23.060 200 HA ILE 29 HA ILE 29 21.297 28.438 21.685 201 HB ILE 29 HB ILE 29 21.970 30.385 22.924 202 HG12 ILE 29 HG12 ILE 29 21.181 31.105 20.089 203 HG13 ILE 29 HG13 ILE 29 20.104 30.430 21.315 204 HG21 ILE 29 HG21 ILE 29 23.452 32.063 22.173 205 HG22 ILE 29 HG22 ILE 29 24.323 30.542 21.994 206 HG23 ILE 29 HG23 ILE 29 23.625 31.315 20.563 207 HD11 ILE 29 HD11 ILE 29 21.503 33.128 21.454 208 HD12 ILE 29 HD12 ILE 29 19.771 32.816 21.226 209 HD13 ILE 29 HD13 ILE 29 20.542 32.419 22.770 210 HA PRO 30 HA PRO 30 22.505 27.465 17.451 211 HB2 PRO 30 HB2 PRO 30 19.875 28.796 16.818 212 HB3 PRO 30 HB3 PRO 30 20.536 27.247 16.203 213 HG2 PRO 30 HG2 PRO 30 18.657 27.225 18.145 214 HG3 PRO 30 HG3 PRO 30 20.089 26.152 18.292 215 HD2 PRO 30 HD2 PRO 30 19.629 28.853 19.593 216 HD3 PRO 30 HD3 PRO 30 20.208 27.317 20.320 217 H ARG 31 H ARG 31 23.139 28.523 15.526 218 HA ARG 31 HA ARG 31 23.026 31.501 15.397 219 HB2 ARG 31 HB2 ARG 31 25.365 31.535 14.622 220 HB3 ARG 31 HB3 ARG 31 25.187 31.050 16.308 221 HG2 ARG 31 HG2 ARG 31 25.594 28.694 15.740 222 HG3 ARG 31 HG3 ARG 31 25.614 29.087 14.015 223 HD2 ARG 31 HD2 ARG 31 27.542 30.669 14.501 224 HD3 ARG 31 HD3 ARG 31 27.586 30.016 16.147 225 HE ARG 31 HE ARG 31 27.777 27.756 14.572 226 HH11 ARG 31 HH11 ARG 31 29.703 30.695 14.759 227 HH12 ARG 31 HH12 ARG 31 31.048 29.918 13.947 228 HH21 ARG 31 HH21 ARG 31 29.617 26.861 13.753 229 HH22 ARG 31 HH22 ARG 31 31.028 27.876 13.447 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 15.651 23.664 40.110 2 H2 GLY 1 H2 GLY 1 15.040 24.880 41.015 3 H3 GLY 1 H3 GLY 1 16.247 23.934 41.623 4 HA2 GLY 1 HA2 GLY 1 17.083 26.100 40.942 5 HA3 GLY 1 HA3 GLY 1 17.805 24.769 40.014 6 H SER 2 H SER 2 17.633 27.504 39.162 7 HA SER 2 HA SER 2 15.547 27.750 37.123 8 HB2 SER 2 HB2 SER 2 18.150 29.242 37.585 9 HB3 SER 2 HB3 SER 2 17.076 29.548 36.208 10 HG SER 2 HG SER 2 16.000 30.755 37.459 11 H GLY 3 H GLY 3 15.469 26.824 35.228 12 HA2 GLY 3 HA2 GLY 3 15.974 25.609 33.362 13 HA3 GLY 3 HA3 GLY 3 17.591 26.310 33.451 14 H CYS 4 H CYS 4 18.055 24.252 32.402 15 HA CYS 4 HA CYS 4 17.810 21.746 33.532 16 HB2 CYS 4 HB2 CYS 4 18.539 22.663 31.186 17 HB3 CYS 4 HB3 CYS 4 20.179 22.479 31.798 18 H MET 5 H MET 5 20.805 23.736 33.675 19 HA MET 5 HA MET 5 20.949 23.749 36.402 20 HB2 MET 5 HB2 MET 5 22.579 21.517 35.248 21 HB3 MET 5 HB3 MET 5 23.519 22.683 36.187 22 HG2 MET 5 HG2 MET 5 21.625 22.505 37.943 23 HG3 MET 5 HG3 MET 5 21.218 20.993 37.132 24 HE1 MET 5 HE1 MET 5 22.095 21.358 40.287 25 HE2 MET 5 HE2 MET 5 21.539 19.847 39.530 26 HE3 MET 5 HE3 MET 5 23.055 19.871 40.453 27 H LYS 6 H LYS 6 22.208 25.533 36.990 28 HA LYS 6 HA LYS 6 23.149 27.251 34.850 29 HB2 LYS 6 HB2 LYS 6 23.662 27.421 37.848 30 HB3 LYS 6 HB3 LYS 6 23.906 28.717 36.671 31 HG2 LYS 6 HG2 LYS 6 21.449 28.625 36.114 32 HG3 LYS 6 HG3 LYS 6 21.226 27.443 37.409 33 HD2 LYS 6 HD2 LYS 6 22.211 30.304 37.723 34 HD3 LYS 6 HD3 LYS 6 20.609 29.669 38.148 35 HE2 LYS 6 HE2 LYS 6 21.647 28.159 39.828 36 HE3 LYS 6 HE3 LYS 6 23.248 28.802 39.408 37 HZ1 LYS 6 HZ1 LYS 6 21.009 30.368 40.543 38 HZ2 LYS 6 HZ2 LYS 6 22.387 29.953 41.331 39 HZ3 LYS 6 HZ3 LYS 6 22.446 31.010 40.063 40 H GLU 7 H GLU 7 24.825 25.222 37.219 41 HA GLU 7 HA GLU 7 27.507 25.904 36.546 42 HB2 GLU 7 HB2 GLU 7 26.261 23.345 37.660 43 HB3 GLU 7 HB3 GLU 7 27.993 23.598 37.510 44 HG2 GLU 7 HG2 GLU 7 27.384 24.091 39.774 45 HG3 GLU 7 HG3 GLU 7 27.898 25.568 38.971 46 H TYR 8 H TYR 8 25.361 23.438 35.166 47 HA TYR 8 HA TYR 8 27.274 22.226 33.404 48 HB2 TYR 8 HB2 TYR 8 25.215 21.120 34.078 49 HB3 TYR 8 HB3 TYR 8 24.238 22.415 33.415 50 HD1 TYR 8 HD2 TYR 8 27.097 20.400 31.994 51 HD2 TYR 8 HD1 TYR 8 22.977 21.627 31.637 52 HE1 TYR 8 HE2 TYR 8 26.906 19.163 29.831 53 HE2 TYR 8 HE1 TYR 8 22.794 20.394 29.475 54 HH TYR 8 HH TYR 8 23.808 18.932 28.053 55 H CYS 9 H CYS 9 24.719 24.700 32.811 56 HA CYS 9 HA CYS 9 25.411 25.242 30.121 57 HB2 CYS 9 HB2 CYS 9 24.126 26.980 32.257 58 HB3 CYS 9 HB3 CYS 9 24.209 27.416 30.551 59 H ALA 10 H ALA 10 26.638 26.894 33.109 60 HA ALA 10 HA ALA 10 28.365 28.664 31.607 61 HB1 ALA 10 HB1 ALA 10 29.172 29.309 33.841 62 HB2 ALA 10 HB2 ALA 10 27.400 29.229 33.811 63 HB3 ALA 10 HB3 ALA 10 28.336 27.917 34.563 64 H GLY 11 H GLY 11 28.832 25.389 32.853 65 HA2 GLY 11 HA2 GLY 11 31.712 25.287 32.565 66 HA3 GLY 11 HA3 GLY 11 30.583 23.923 32.569 67 H GLN 12 H GLN 12 28.999 24.310 30.421 68 HA GLN 12 HA GLN 12 30.698 23.552 28.235 69 HB2 GLN 12 HB2 GLN 12 27.718 24.137 28.411 70 HB3 GLN 12 HB3 GLN 12 28.503 23.466 26.982 71 HG2 GLN 12 HG2 GLN 12 28.569 22.096 29.714 72 HG3 GLN 12 HG3 GLN 12 27.353 21.791 28.481 73 HE21 GLN 12 HE22 GLN 12 27.911 20.499 26.620 74 HE22 GLN 12 HE21 GLN 12 29.538 19.886 26.384 75 H CYS 13 H CYS 13 28.711 26.546 28.718 76 HA CYS 13 HA CYS 13 30.027 27.771 26.331 77 HB2 CYS 13 HB2 CYS 13 27.064 27.533 26.919 78 HB3 CYS 13 HB3 CYS 13 27.748 28.415 25.556 79 H ARG 14 H ARG 14 29.735 30.037 26.056 80 HA ARG 14 HA ARG 14 28.639 31.602 28.319 81 HB2 ARG 14 HB2 ARG 14 31.449 32.130 27.324 82 HB3 ARG 14 HB3 ARG 14 30.555 33.010 28.577 83 HG2 ARG 14 HG2 ARG 14 30.523 30.918 29.976 84 HG3 ARG 14 HG3 ARG 14 31.592 30.165 28.787 85 HD2 ARG 14 HD2 ARG 14 32.171 32.661 30.434 86 HD3 ARG 14 HD3 ARG 14 32.839 31.052 30.710 87 HE ARG 14 HE ARG 14 33.692 33.009 28.723 88 HH11 ARG 14 HH11 ARG 14 33.822 29.560 29.487 89 HH12 ARG 14 HH12 ARG 14 35.272 29.368 28.544 90 HH21 ARG 14 HH21 ARG 14 35.117 32.532 27.180 91 HH22 ARG 14 HH22 ARG 14 35.826 30.946 27.058 92 H GLY 15 H GLY 15 29.062 34.031 27.785 93 HA2 GLY 15 HA2 GLY 15 28.183 35.725 26.271 94 HA3 GLY 15 HA3 GLY 15 27.524 34.439 25.250 95 H LYS 16 H LYS 16 26.572 36.648 27.471 96 HA LYS 16 HA LYS 16 25.115 35.368 29.495 97 HB2 LYS 16 HB2 LYS 16 24.388 37.879 27.912 98 HB3 LYS 16 HB3 LYS 16 23.598 37.348 29.397 99 HG2 LYS 16 HG2 LYS 16 25.742 37.569 30.632 100 HG3 LYS 16 HG3 LYS 16 26.504 38.198 29.174 101 HD2 LYS 16 HD2 LYS 16 24.883 40.070 29.097 102 HD3 LYS 16 HD3 LYS 16 24.101 39.446 30.564 103 HE2 LYS 16 HE2 LYS 16 26.235 39.741 31.808 104 HE3 LYS 16 HE3 LYS 16 26.985 40.421 30.353 105 HZ1 LYS 16 HZ1 LYS 16 25.429 42.254 30.440 106 HZ2 LYS 16 HZ2 LYS 16 24.573 41.578 31.668 107 HZ3 LYS 16 HZ3 LYS 16 26.089 42.134 31.923 108 H VAL 17 H VAL 17 24.153 35.868 26.133 109 HA VAL 17 HA VAL 17 21.443 34.859 26.582 110 HB VAL 17 HB VAL 17 22.833 35.726 24.032 111 HG11 VAL 17 HG11 VAL 17 20.888 34.301 23.557 112 HG12 VAL 17 HG12 VAL 17 19.891 35.251 24.670 113 HG13 VAL 17 HG13 VAL 17 20.513 35.979 23.169 114 HG21 VAL 17 HG21 VAL 17 21.519 37.803 24.351 115 HG22 VAL 17 HG22 VAL 17 20.895 37.180 25.896 116 HG23 VAL 17 HG23 VAL 17 22.617 37.553 25.710 117 H SER 18 H SER 18 24.458 33.488 25.211 118 HA SER 18 HA SER 18 23.290 31.008 24.376 119 HB2 SER 18 HB2 SER 18 25.673 31.795 23.900 120 HB3 SER 18 HB3 SER 18 26.078 31.326 25.558 121 HG SER 18 HG SER 18 26.397 29.711 23.850 122 H GLN 19 H GLN 19 24.732 31.969 27.578 123 HA GLN 19 HA GLN 19 23.859 29.604 28.934 124 HB2 GLN 19 HB2 GLN 19 24.503 32.429 29.823 125 HB3 GLN 19 HB3 GLN 19 23.984 31.171 30.973 126 HG2 GLN 19 HG2 GLN 19 25.853 29.732 30.328 127 HG3 GLN 19 HG3 GLN 19 26.336 30.858 29.062 128 HE21 GLN 19 HE22 GLN 19 28.417 30.537 30.291 129 HE22 GLN 19 HE21 GLN 19 28.744 31.773 31.517 130 H ASP 20 H ASP 20 21.979 32.577 28.170 131 HA ASP 20 HA ASP 20 19.742 31.905 29.853 132 HB2 ASP 20 HB2 ASP 20 20.311 34.162 28.888 133 HB3 ASP 20 HB3 ASP 20 19.725 33.594 27.323 134 H TYR 21 H TYR 21 20.333 31.312 26.347 135 HA TYR 21 HA TYR 21 17.913 29.891 25.825 136 HB2 TYR 21 HB2 TYR 21 19.858 30.777 24.293 137 HB3 TYR 21 HB3 TYR 21 20.557 29.199 24.534 138 HD1 TYR 21 HD2 TYR 21 19.210 27.134 23.663 139 HD2 TYR 21 HD1 TYR 21 18.076 31.224 22.860 140 HE1 TYR 21 HE2 TYR 21 17.822 26.373 21.730 141 HE2 TYR 21 HE1 TYR 21 16.662 30.454 20.940 142 HH TYR 21 HH TYR 21 16.376 26.997 20.069 143 H CYS 22 H CYS 22 21.008 28.834 27.208 144 HA CYS 22 HA CYS 22 20.305 26.001 27.297 145 HB2 CYS 22 HB2 CYS 22 22.605 26.844 27.172 146 HB3 CYS 22 HB3 CYS 22 22.439 27.614 28.745 147 H LEU 23 H LEU 23 19.913 28.676 29.586 148 HA LEU 23 HA LEU 23 18.748 27.059 31.666 149 HB2 LEU 23 HB2 LEU 23 19.129 29.914 30.965 150 HB3 LEU 23 HB3 LEU 23 17.667 29.596 31.883 151 HG LEU 23 HG LEU 23 18.897 28.612 33.715 152 HD11 LEU 23 HD11 LEU 23 21.380 28.548 33.781 153 HD12 LEU 23 HD12 LEU 23 20.736 27.434 32.576 154 HD13 LEU 23 HD13 LEU 23 21.433 28.985 32.067 155 HD21 LEU 23 HD21 LEU 23 20.310 31.127 32.739 156 HD22 LEU 23 HD22 LEU 23 18.754 31.082 33.599 157 HD23 LEU 23 HD23 LEU 23 20.234 30.552 34.422 158 H LYS 24 H LYS 24 17.356 28.336 28.670 159 HA LYS 24 HA LYS 24 14.605 27.598 29.518 160 HB2 LYS 24 HB2 LYS 24 15.821 28.804 27.011 161 HB3 LYS 24 HB3 LYS 24 14.104 28.368 27.132 162 HG2 LYS 24 HG2 LYS 24 13.785 29.881 28.991 163 HG3 LYS 24 HG3 LYS 24 15.521 30.254 29.049 164 HD2 LYS 24 HD2 LYS 24 15.456 31.335 26.913 165 HD3 LYS 24 HD3 LYS 24 13.801 30.779 26.594 166 HE2 LYS 24 HE2 LYS 24 13.817 33.140 27.220 167 HE3 LYS 24 HE3 LYS 24 12.936 32.168 28.409 168 HZ1 LYS 24 HZ1 LYS 24 15.745 33.075 28.739 169 HZ2 LYS 24 HZ2 LYS 24 14.443 33.789 29.425 170 HZ3 LYS 24 HZ3 LYS 24 14.826 32.274 29.872 171 H HIS 25 H HIS 25 17.079 26.269 27.444 172 HA HIS 25 HA HIS 25 15.232 24.043 26.578 173 HB2 HIS 25 HB2 HIS 25 17.280 25.596 24.949 174 HB3 HIS 25 HB3 HIS 25 16.364 24.221 24.370 175 HD2 HIS 25 HD2 HIS 25 16.038 27.955 24.959 176 HE1 HIS 25 HE1 HIS 25 12.324 26.673 23.310 177 HE2 HIS 25 HE2 HIS 25 13.715 28.699 23.945 178 H CYS 26 H CYS 26 17.946 24.360 28.438 179 HA CYS 26 HA CYS 26 19.668 23.119 29.040 180 HB2 CYS 26 HB2 CYS 26 17.797 21.344 29.051 181 HB3 CYS 26 HB3 CYS 26 18.585 20.707 27.608 182 H LYS 27 H LYS 27 19.456 24.222 26.097 183 HA LYS 27 HA LYS 27 21.969 22.998 25.002 184 HB2 LYS 27 HB2 LYS 27 19.668 24.203 23.474 185 HB3 LYS 27 HB3 LYS 27 21.081 23.442 22.781 186 HG2 LYS 27 HG2 LYS 27 20.365 21.271 23.259 187 HG3 LYS 27 HG3 LYS 27 19.303 21.780 24.570 188 HD2 LYS 27 HD2 LYS 27 17.850 22.959 22.883 189 HD3 LYS 27 HD3 LYS 27 18.862 22.286 21.602 190 HE2 LYS 27 HE2 LYS 27 16.789 21.004 21.888 191 HE3 LYS 27 HE3 LYS 27 18.200 19.999 22.244 192 HZ1 LYS 27 HZ1 LYS 27 17.675 19.949 24.469 193 HZ2 LYS 27 HZ2 LYS 27 16.839 21.349 24.498 194 HZ3 LYS 27 HZ3 LYS 27 16.170 19.996 23.834 195 H CYS 28 H CYS 28 23.447 24.369 24.140 196 HA CYS 28 HA CYS 28 23.411 27.197 24.878 197 HB2 CYS 28 HB2 CYS 28 25.315 25.702 23.033 198 HB3 CYS 28 HB3 CYS 28 25.570 27.285 23.773 199 H ILE 29 H ILE 29 23.441 28.979 23.358 200 HA ILE 29 HA ILE 29 21.201 28.658 21.649 201 HB ILE 29 HB ILE 29 21.730 30.690 22.915 202 HG12 ILE 29 HG12 ILE 29 21.305 31.285 19.974 203 HG13 ILE 29 HG13 ILE 29 20.094 30.528 21.013 204 HG21 ILE 29 HG21 ILE 29 24.180 30.848 22.195 205 HG22 ILE 29 HG22 ILE 29 23.595 31.510 20.669 206 HG23 ILE 29 HG23 ILE 29 23.260 32.361 22.191 207 HD11 ILE 29 HD11 ILE 29 20.132 32.461 22.528 208 HD12 ILE 29 HD12 ILE 29 21.263 33.293 21.425 209 HD13 ILE 29 HD13 ILE 29 19.624 32.888 20.880 210 HA PRO 30 HA PRO 30 23.395 27.664 17.825 211 HB2 PRO 30 HB2 PRO 30 21.318 27.553 16.084 212 HB3 PRO 30 HB3 PRO 30 21.572 26.307 17.342 213 HG2 PRO 30 HG2 PRO 30 19.700 28.689 17.478 214 HG3 PRO 30 HG3 PRO 30 19.339 26.968 17.835 215 HD2 PRO 30 HD2 PRO 30 19.973 28.749 19.789 216 HD3 PRO 30 HD3 PRO 30 20.500 27.048 19.881 217 H ARG 31 H ARG 31 24.421 29.011 16.450 218 HA ARG 31 HA ARG 31 23.295 31.705 15.756 219 HB2 ARG 31 HB2 ARG 31 26.188 31.041 16.415 220 HB3 ARG 31 HB3 ARG 31 25.575 32.627 15.979 221 HG2 ARG 31 HG2 ARG 31 24.783 31.139 18.531 222 HG3 ARG 31 HG3 ARG 31 26.123 32.255 18.400 223 HD2 ARG 31 HD2 ARG 31 24.317 33.404 19.403 224 HD3 ARG 31 HD3 ARG 31 24.586 34.100 17.800 225 HE ARG 31 HE ARG 31 22.569 32.096 17.604 226 HH11 ARG 31 HH11 ARG 31 22.740 35.121 19.394 227 HH12 ARG 31 HH12 ARG 31 21.123 35.577 18.912 228 HH21 ARG 31 HH21 ARG 31 20.560 32.696 17.076 229 HH22 ARG 31 HH22 ARG 31 19.920 34.233 17.598 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 13.452 23.697 40.289 2 H2 GLY 1 H2 GLY 1 13.348 25.335 40.136 3 H3 GLY 1 H3 GLY 1 14.762 24.647 40.611 4 HA2 GLY 1 HA2 GLY 1 14.958 23.510 38.476 5 HA3 GLY 1 HA3 GLY 1 13.495 24.377 37.966 6 H SER 2 H SER 2 16.933 24.541 38.359 7 HA SER 2 HA SER 2 17.112 27.466 38.291 8 HB2 SER 2 HB2 SER 2 19.534 27.039 38.241 9 HB3 SER 2 HB3 SER 2 18.741 26.163 39.556 10 HG SER 2 HG SER 2 20.192 24.816 38.426 11 H GLY 3 H GLY 3 17.402 24.797 36.031 12 HA2 GLY 3 HA2 GLY 3 17.006 24.893 33.676 13 HA3 GLY 3 HA3 GLY 3 17.318 26.613 33.686 14 H CYS 4 H CYS 4 20.316 24.588 32.356 15 HA CYS 4 HA CYS 4 17.815 23.113 32.880 16 HB2 CYS 4 HB2 CYS 4 19.336 22.957 30.837 17 HB3 CYS 4 HB3 CYS 4 20.482 22.092 31.851 18 H MET 5 H MET 5 21.306 22.640 33.647 19 HA MET 5 HA MET 5 20.582 23.490 36.342 20 HB2 MET 5 HB2 MET 5 22.889 21.583 35.775 21 HB3 MET 5 HB3 MET 5 22.494 22.316 37.334 22 HG2 MET 5 HG2 MET 5 20.748 20.349 35.809 23 HG3 MET 5 HG3 MET 5 21.804 19.942 37.138 24 HE1 MET 5 HE1 MET 5 21.440 21.987 39.412 25 HE2 MET 5 HE2 MET 5 20.028 21.350 40.278 26 HE3 MET 5 HE3 MET 5 21.262 20.235 39.655 27 H LYS 6 H LYS 6 21.785 25.205 37.022 28 HA LYS 6 HA LYS 6 22.602 26.949 34.985 29 HB2 LYS 6 HB2 LYS 6 21.660 27.273 37.410 30 HB3 LYS 6 HB3 LYS 6 23.329 27.319 37.921 31 HG2 LYS 6 HG2 LYS 6 21.942 29.181 35.937 32 HG3 LYS 6 HG3 LYS 6 22.255 29.517 37.627 33 HD2 LYS 6 HD2 LYS 6 24.317 29.360 35.408 34 HD3 LYS 6 HD3 LYS 6 23.783 30.774 36.315 35 HE2 LYS 6 HE2 LYS 6 24.634 29.574 38.434 36 HE3 LYS 6 HE3 LYS 6 25.407 28.420 37.336 37 HZ1 LYS 6 HZ1 LYS 6 26.032 31.274 37.712 38 HZ2 LYS 6 HZ2 LYS 6 27.038 29.960 37.689 39 HZ3 LYS 6 HZ3 LYS 6 26.417 30.554 36.290 40 H GLU 7 H GLU 7 24.621 25.119 37.270 41 HA GLU 7 HA GLU 7 27.114 26.350 36.448 42 HB2 GLU 7 HB2 GLU 7 26.915 23.672 37.851 43 HB3 GLU 7 HB3 GLU 7 28.182 24.871 37.900 44 HG2 GLU 7 HG2 GLU 7 27.262 25.200 39.956 45 HG3 GLU 7 HG3 GLU 7 26.385 26.417 39.043 46 H TYR 8 H TYR 8 25.421 23.340 35.493 47 HA TYR 8 HA TYR 8 27.400 22.362 33.668 48 HB2 TYR 8 HB2 TYR 8 25.346 21.158 34.534 49 HB3 TYR 8 HB3 TYR 8 24.368 22.114 33.445 50 HD1 TYR 8 HD1 TYR 8 27.253 19.751 33.556 51 HD2 TYR 8 HD2 TYR 8 23.999 21.315 31.211 52 HE1 TYR 8 HE1 TYR 8 27.627 17.970 31.846 53 HE2 TYR 8 HE2 TYR 8 24.386 19.557 29.493 54 HH TYR 8 HH TYR 8 25.591 17.666 28.917 55 H CYS 9 H CYS 9 24.608 24.592 33.165 56 HA CYS 9 HA CYS 9 25.092 25.029 30.402 57 HB2 CYS 9 HB2 CYS 9 23.646 26.567 32.559 58 HB3 CYS 9 HB3 CYS 9 23.821 27.239 30.941 59 H ALA 10 H ALA 10 26.630 26.664 33.204 60 HA ALA 10 HA ALA 10 28.092 28.536 31.543 61 HB1 ALA 10 HB1 ALA 10 28.621 27.547 34.375 62 HB2 ALA 10 HB2 ALA 10 29.322 28.991 33.613 63 HB3 ALA 10 HB3 ALA 10 27.578 28.915 33.926 64 H GLY 11 H GLY 11 28.675 25.177 32.409 65 HA2 GLY 11 HA2 GLY 11 31.445 25.087 31.435 66 HA3 GLY 11 HA3 GLY 11 30.390 23.727 31.830 67 H GLN 12 H GLN 12 28.208 24.573 30.073 68 HA GLN 12 HA GLN 12 29.191 23.548 27.501 69 HB2 GLN 12 HB2 GLN 12 26.463 24.298 28.646 70 HB3 GLN 12 HB3 GLN 12 26.663 23.774 26.977 71 HG2 GLN 12 HG2 GLN 12 27.540 22.134 29.376 72 HG3 GLN 12 HG3 GLN 12 25.992 21.944 28.546 73 HE21 GLN 12 HE22 GLN 12 29.172 20.737 28.604 74 HE22 GLN 12 HE21 GLN 12 29.290 20.241 26.912 75 H CYS 13 H CYS 13 28.179 26.683 28.716 76 HA CYS 13 HA CYS 13 28.446 27.909 26.012 77 HB2 CYS 13 HB2 CYS 13 26.098 26.875 26.884 78 HB3 CYS 13 HB3 CYS 13 26.007 28.434 27.686 79 H ARG 14 H ARG 14 28.786 30.181 25.994 80 HA ARG 14 HA ARG 14 28.648 31.698 28.526 81 HB2 ARG 14 HB2 ARG 14 30.927 32.500 28.410 82 HB3 ARG 14 HB3 ARG 14 30.831 30.757 28.653 83 HG2 ARG 14 HG2 ARG 14 31.381 30.366 26.260 84 HG3 ARG 14 HG3 ARG 14 31.418 32.111 25.980 85 HD2 ARG 14 HD2 ARG 14 33.674 31.178 26.189 86 HD3 ARG 14 HD3 ARG 14 33.338 32.375 27.433 87 HE ARG 14 HE ARG 14 33.202 29.401 27.873 88 HH11 ARG 14 HH11 ARG 14 34.135 32.552 29.176 89 HH12 ARG 14 HH12 ARG 14 34.706 31.829 30.666 90 HH21 ARG 14 HH21 ARG 14 33.938 28.617 29.786 91 HH22 ARG 14 HH22 ARG 14 34.810 29.653 30.902 92 H GLY 15 H GLY 15 29.142 33.981 28.334 93 HA2 GLY 15 HA2 GLY 15 28.244 35.973 27.397 94 HA3 GLY 15 HA3 GLY 15 27.622 35.068 26.012 95 H LYS 16 H LYS 16 26.357 36.749 28.262 96 HA LYS 16 HA LYS 16 24.911 34.993 30.025 97 HB2 LYS 16 HB2 LYS 16 25.535 37.387 30.428 98 HB3 LYS 16 HB3 LYS 16 24.275 37.876 29.287 99 HG2 LYS 16 HG2 LYS 16 22.532 36.942 30.712 100 HG3 LYS 16 HG3 LYS 16 23.733 36.149 31.736 101 HD2 LYS 16 HD2 LYS 16 22.895 38.069 32.896 102 HD3 LYS 16 HD3 LYS 16 24.584 38.358 32.469 103 HE2 LYS 16 HE2 LYS 16 23.894 39.774 30.568 104 HE3 LYS 16 HE3 LYS 16 22.191 39.410 30.899 105 HZ1 LYS 16 HZ1 LYS 16 24.019 40.860 32.727 106 HZ2 LYS 16 HZ2 LYS 16 22.763 41.512 31.851 107 HZ3 LYS 16 HZ3 LYS 16 22.458 40.455 33.068 108 H VAL 17 H VAL 17 24.143 36.205 26.821 109 HA VAL 17 HA VAL 17 21.322 35.411 26.859 110 HB VAL 17 HB VAL 17 23.100 35.997 24.471 111 HG11 VAL 17 HG11 VAL 17 20.960 36.565 23.359 112 HG12 VAL 17 HG12 VAL 17 21.031 34.865 23.804 113 HG13 VAL 17 HG13 VAL 17 20.069 35.997 24.783 114 HG21 VAL 17 HG21 VAL 17 23.074 37.944 25.976 115 HG22 VAL 17 HG22 VAL 17 22.085 38.256 24.552 116 HG23 VAL 17 HG23 VAL 17 21.301 37.848 26.091 117 H SER 18 H SER 18 24.415 34.016 25.670 118 HA SER 18 HA SER 18 23.404 31.644 24.546 119 HB2 SER 18 HB2 SER 18 26.030 31.637 25.985 120 HB3 SER 18 HB3 SER 18 25.617 31.091 24.357 121 HG SER 18 HG SER 18 26.971 33.047 24.774 122 H GLN 19 H GLN 19 24.706 32.262 27.892 123 HA GLN 19 HA GLN 19 23.862 29.724 28.933 124 HB2 GLN 19 HB2 GLN 19 24.449 32.398 30.243 125 HB3 GLN 19 HB3 GLN 19 24.028 30.939 31.164 126 HG2 GLN 19 HG2 GLN 19 25.925 29.713 30.234 127 HG3 GLN 19 HG3 GLN 19 26.323 31.056 29.162 128 HE21 GLN 19 HE22 GLN 19 28.462 30.529 30.343 129 HE22 GLN 19 HE21 GLN 19 28.764 31.667 31.665 130 H ASP 20 H ASP 20 22.040 32.849 28.767 131 HA ASP 20 HA ASP 20 19.726 31.988 30.157 132 HB2 ASP 20 HB2 ASP 20 20.009 34.277 29.658 133 HB3 ASP 20 HB3 ASP 20 20.212 33.962 27.936 134 H TYR 21 H TYR 21 20.532 31.624 26.651 135 HA TYR 21 HA TYR 21 18.179 30.181 25.936 136 HB2 TYR 21 HB2 TYR 21 19.963 31.097 24.378 137 HB3 TYR 21 HB3 TYR 21 20.966 29.730 24.818 138 HD1 TYR 21 HD1 TYR 21 20.390 27.434 24.078 139 HD2 TYR 21 HD2 TYR 21 17.938 30.808 22.995 140 HE1 TYR 21 HE1 TYR 21 19.153 26.022 22.442 141 HE2 TYR 21 HE2 TYR 21 16.734 29.403 21.333 142 HH TYR 21 HH TYR 21 16.497 27.318 20.416 143 H CYS 22 H CYS 22 21.265 28.962 27.366 144 HA CYS 22 HA CYS 22 20.449 26.174 27.223 145 HB2 CYS 22 HB2 CYS 22 22.777 26.923 27.304 146 HB3 CYS 22 HB3 CYS 22 22.547 27.565 28.928 147 H LEU 23 H LEU 23 20.076 28.703 29.689 148 HA LEU 23 HA LEU 23 18.817 27.052 31.682 149 HB2 LEU 23 HB2 LEU 23 19.243 29.946 31.073 150 HB3 LEU 23 HB3 LEU 23 17.872 29.538 32.105 151 HG LEU 23 HG LEU 23 19.267 28.516 33.750 152 HD11 LEU 23 HD11 LEU 23 21.688 28.492 33.688 153 HD12 LEU 23 HD12 LEU 23 21.091 27.589 32.307 154 HD13 LEU 23 HD13 LEU 23 21.713 29.243 32.077 155 HD21 LEU 23 HD21 LEU 23 20.502 30.486 34.504 156 HD22 LEU 23 HD22 LEU 23 20.414 31.189 32.871 157 HD23 LEU 23 HD23 LEU 23 18.930 30.938 33.823 158 H LYS 24 H LYS 24 17.635 28.228 28.670 159 HA LYS 24 HA LYS 24 14.772 27.721 29.371 160 HB2 LYS 24 HB2 LYS 24 16.210 29.041 27.047 161 HB3 LYS 24 HB3 LYS 24 14.495 28.598 26.958 162 HG2 LYS 24 HG2 LYS 24 13.891 30.021 28.695 163 HG3 LYS 24 HG3 LYS 24 15.558 30.217 29.271 164 HD2 LYS 24 HD2 LYS 24 16.142 31.556 27.328 165 HD3 LYS 24 HD3 LYS 24 14.503 31.353 26.654 166 HE2 LYS 24 HE2 LYS 24 13.496 32.519 28.490 167 HE3 LYS 24 HE3 LYS 24 14.966 32.441 29.461 168 HZ1 LYS 24 HZ1 LYS 24 16.013 34.012 28.039 169 HZ2 LYS 24 HZ2 LYS 24 14.770 34.000 26.957 170 HZ3 LYS 24 HZ3 LYS 24 14.529 34.628 28.450 171 H HIS 25 H HIS 25 17.387 26.408 27.477 172 HA HIS 25 HA HIS 25 15.562 24.322 26.304 173 HB2 HIS 25 HB2 HIS 25 17.779 25.959 25.035 174 HB3 HIS 25 HB3 HIS 25 16.935 24.653 24.236 175 HD2 HIS 25 HD2 HIS 25 16.601 28.326 24.932 176 HE1 HIS 25 HE1 HIS 25 12.921 27.145 23.154 177 HE2 HIS 25 HE2 HIS 25 14.385 29.131 23.777 178 H CYS 26 H CYS 26 18.268 24.345 28.316 179 HA CYS 26 HA CYS 26 19.783 22.807 28.882 180 HB2 CYS 26 HB2 CYS 26 17.949 20.834 27.509 181 HB3 CYS 26 HB3 CYS 26 19.244 20.416 28.619 182 H LYS 27 H LYS 27 20.014 23.969 26.007 183 HA LYS 27 HA LYS 27 22.607 22.616 25.618 184 HB2 LYS 27 HB2 LYS 27 22.346 22.478 23.201 185 HB3 LYS 27 HB3 LYS 27 21.149 21.488 24.021 186 HG2 LYS 27 HG2 LYS 27 19.436 23.313 23.631 187 HG3 LYS 27 HG3 LYS 27 20.677 24.231 22.756 188 HD2 LYS 27 HD2 LYS 27 20.941 22.303 21.189 189 HD3 LYS 27 HD3 LYS 27 19.614 21.479 22.032 190 HE2 LYS 27 HE2 LYS 27 18.064 23.291 21.433 191 HE3 LYS 27 HE3 LYS 27 19.379 24.202 20.667 192 HZ1 LYS 27 HZ1 LYS 27 18.389 21.549 19.799 193 HZ2 LYS 27 HZ2 LYS 27 18.093 22.966 19.013 194 HZ3 LYS 27 HZ3 LYS 27 19.616 22.385 19.073 195 H CYS 28 H CYS 28 24.110 23.870 24.348 196 HA CYS 28 HA CYS 28 23.899 26.721 24.810 197 HB2 CYS 28 HB2 CYS 28 26.037 25.311 24.671 198 HB3 CYS 28 HB3 CYS 28 25.829 25.395 22.917 199 H ILE 29 H ILE 29 24.020 28.354 23.179 200 HA ILE 29 HA ILE 29 21.579 28.250 21.795 201 HB ILE 29 HB ILE 29 22.380 30.169 22.969 202 HG12 ILE 29 HG12 ILE 29 21.917 30.889 20.059 203 HG13 ILE 29 HG13 ILE 29 20.650 30.337 21.166 204 HG21 ILE 29 HG21 ILE 29 24.098 31.675 22.134 205 HG22 ILE 29 HG22 ILE 29 24.790 30.062 22.341 206 HG23 ILE 29 HG23 ILE 29 24.362 30.641 20.719 207 HD11 ILE 29 HD11 ILE 29 20.597 32.754 21.028 208 HD12 ILE 29 HD12 ILE 29 21.112 32.281 22.656 209 HD13 ILE 29 HD13 ILE 29 22.304 32.883 21.482 210 HA PRO 30 HA PRO 30 22.834 26.799 17.786 211 HB2 PRO 30 HB2 PRO 30 20.307 28.127 16.831 212 HB3 PRO 30 HB3 PRO 30 20.916 26.477 16.482 213 HG2 PRO 30 HG2 PRO 30 18.957 26.853 18.317 214 HG3 PRO 30 HG3 PRO 30 20.315 25.729 18.678 215 HD2 PRO 30 HD2 PRO 30 19.965 28.604 19.585 216 HD3 PRO 30 HD3 PRO 30 20.458 27.150 20.511 217 H ARG 31 H ARG 31 24.162 27.539 16.343 218 HA ARG 31 HA ARG 31 24.179 30.306 15.256 219 HB2 ARG 31 HB2 ARG 31 26.514 30.583 15.985 220 HB3 ARG 31 HB3 ARG 31 25.374 30.473 17.320 221 HG2 ARG 31 HG2 ARG 31 26.016 28.015 17.585 222 HG3 ARG 31 HG3 ARG 31 27.280 28.287 16.381 223 HD2 ARG 31 HD2 ARG 31 26.937 29.782 19.021 224 HD3 ARG 31 HD3 ARG 31 28.059 28.444 18.769 225 HE ARG 31 HE ARG 31 28.356 31.223 17.890 226 HH11 ARG 31 HH11 ARG 31 29.464 27.951 17.175 227 HH12 ARG 31 HH12 ARG 31 30.782 28.553 16.197 228 HH21 ARG 31 HH21 ARG 31 30.283 31.854 17.050 229 HH22 ARG 31 HH22 ARG 31 31.338 30.661 16.292 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 9.731 25.886 26.007 2 H2 GLY 1 H2 GLY 1 10.746 27.037 26.607 3 H3 GLY 1 H3 GLY 1 9.441 26.546 27.490 4 HA2 GLY 1 HA2 GLY 1 10.371 24.308 27.634 5 HA3 GLY 1 HA3 GLY 1 11.811 24.941 26.807 6 H SER 2 H SER 2 11.975 23.744 29.342 7 HA SER 2 HA SER 2 12.512 26.056 31.149 8 HB2 SER 2 HB2 SER 2 12.142 24.712 33.042 9 HB3 SER 2 HB3 SER 2 10.752 24.504 31.973 10 HG SER 2 HG SER 2 11.900 22.615 33.044 11 H GLY 3 H GLY 3 14.293 25.944 32.573 12 HA2 GLY 3 HA2 GLY 3 16.726 25.226 31.161 13 HA3 GLY 3 HA3 GLY 3 16.593 26.078 32.702 14 H CYS 4 H CYS 4 18.517 24.174 32.067 15 HA CYS 4 HA CYS 4 17.867 21.755 33.650 16 HB2 CYS 4 HB2 CYS 4 19.785 22.466 31.495 17 HB3 CYS 4 HB3 CYS 4 20.404 21.377 32.724 18 H MET 5 H MET 5 21.079 23.286 33.672 19 HA MET 5 HA MET 5 20.667 24.388 36.367 20 HB2 MET 5 HB2 MET 5 22.718 22.203 35.799 21 HB3 MET 5 HB3 MET 5 22.823 23.324 37.166 22 HG2 MET 5 HG2 MET 5 20.534 22.553 37.885 23 HG3 MET 5 HG3 MET 5 20.638 21.282 36.683 24 HE1 MET 5 HE1 MET 5 22.373 19.269 36.764 25 HE2 MET 5 HE2 MET 5 23.770 20.374 36.870 26 HE3 MET 5 HE3 MET 5 23.589 19.056 38.041 27 H LYS 6 H LYS 6 21.945 26.085 36.779 28 HA LYS 6 HA LYS 6 23.222 27.624 34.724 29 HB2 LYS 6 HB2 LYS 6 23.425 27.647 37.756 30 HB3 LYS 6 HB3 LYS 6 24.115 28.897 36.726 31 HG2 LYS 6 HG2 LYS 6 22.001 29.673 36.004 32 HG3 LYS 6 HG3 LYS 6 21.140 28.254 36.606 33 HD2 LYS 6 HD2 LYS 6 22.605 30.180 38.459 34 HD3 LYS 6 HD3 LYS 6 20.916 30.386 37.986 35 HE2 LYS 6 HE2 LYS 6 20.379 28.116 38.852 36 HE3 LYS 6 HE3 LYS 6 22.048 27.947 39.408 37 HZ1 LYS 6 HZ1 LYS 6 21.682 29.887 40.844 38 HZ2 LYS 6 HZ2 LYS 6 20.104 29.985 40.364 39 HZ3 LYS 6 HZ3 LYS 6 20.619 28.679 41.191 40 H GLU 7 H GLU 7 24.643 25.506 37.266 41 HA GLU 7 HA GLU 7 27.354 25.880 36.614 42 HB2 GLU 7 HB2 GLU 7 25.914 23.370 37.621 43 HB3 GLU 7 HB3 GLU 7 27.652 23.556 37.561 44 HG2 GLU 7 HG2 GLU 7 27.434 24.241 39.692 45 HG3 GLU 7 HG3 GLU 7 27.068 25.809 38.970 46 H TYR 8 H TYR 8 25.142 23.470 35.166 47 HA TYR 8 HA TYR 8 27.123 22.294 33.401 48 HB2 TYR 8 HB2 TYR 8 25.094 21.130 34.125 49 HB3 TYR 8 HB3 TYR 8 24.078 22.359 33.413 50 HD1 TYR 8 HD1 TYR 8 26.758 19.893 32.427 51 HD2 TYR 8 HD2 TYR 8 23.178 22.008 31.275 52 HE1 TYR 8 HE1 TYR 8 26.587 18.493 30.370 53 HE2 TYR 8 HE2 TYR 8 23.014 20.609 29.235 54 HH TYR 8 HH TYR 8 23.933 18.903 28.004 55 H CYS 9 H CYS 9 24.543 24.734 32.989 56 HA CYS 9 HA CYS 9 25.006 25.255 30.241 57 HB2 CYS 9 HB2 CYS 9 23.709 26.852 32.476 58 HB3 CYS 9 HB3 CYS 9 23.686 27.360 30.792 59 H ALA 10 H ALA 10 26.559 26.791 33.104 60 HA ALA 10 HA ALA 10 27.880 28.791 31.470 61 HB1 ALA 10 HB1 ALA 10 28.315 27.918 34.355 62 HB2 ALA 10 HB2 ALA 10 28.960 29.392 33.604 63 HB3 ALA 10 HB3 ALA 10 27.210 29.196 33.804 64 H GLY 11 H GLY 11 28.636 25.491 32.136 65 HA2 GLY 11 HA2 GLY 11 31.481 25.724 31.306 66 HA3 GLY 11 HA3 GLY 11 30.583 24.247 31.675 67 H GLN 12 H GLN 12 28.397 24.332 30.046 68 HA GLN 12 HA GLN 12 29.492 23.636 27.472 69 HB2 GLN 12 HB2 GLN 12 26.661 23.941 28.556 70 HB3 GLN 12 HB3 GLN 12 26.997 23.358 26.927 71 HG2 GLN 12 HG2 GLN 12 28.123 22.043 29.430 72 HG3 GLN 12 HG3 GLN 12 26.606 21.565 28.666 73 HE21 GLN 12 HE22 GLN 12 29.931 20.753 28.705 74 HE22 GLN 12 HE21 GLN 12 30.036 20.208 27.027 75 H CYS 13 H CYS 13 28.001 26.614 28.616 76 HA CYS 13 HA CYS 13 28.303 27.810 25.896 77 HB2 CYS 13 HB2 CYS 13 25.958 26.776 26.684 78 HB3 CYS 13 HB3 CYS 13 25.829 28.322 27.509 79 H ARG 14 H ARG 14 28.637 30.030 25.803 80 HA ARG 14 HA ARG 14 29.263 31.412 28.412 81 HB2 ARG 14 HB2 ARG 14 30.932 31.294 25.895 82 HB3 ARG 14 HB3 ARG 14 31.326 32.177 27.368 83 HG2 ARG 14 HG2 ARG 14 31.205 29.139 27.060 84 HG3 ARG 14 HG3 ARG 14 32.659 30.122 27.159 85 HD2 ARG 14 HD2 ARG 14 30.612 29.775 29.389 86 HD3 ARG 14 HD3 ARG 14 32.189 28.990 29.286 87 HE ARG 14 HE ARG 14 32.780 31.706 29.110 88 HH11 ARG 14 HH12 ARG 14 31.201 29.763 31.624 89 HH12 ARG 14 HH11 ARG 14 31.696 30.959 32.827 90 HH21 ARG 14 HH21 ARG 14 33.392 32.958 30.728 91 HH22 ARG 14 HH22 ARG 14 32.921 32.559 32.392 92 H GLY 15 H GLY 15 29.232 33.588 28.521 93 HA2 GLY 15 HA2 GLY 15 28.583 35.767 27.877 94 HA3 GLY 15 HA3 GLY 15 27.984 35.178 26.323 95 H LYS 16 H LYS 16 26.594 36.829 28.304 96 HA LYS 16 HA LYS 16 25.056 35.383 30.176 97 HB2 LYS 16 HB2 LYS 16 25.581 37.866 30.080 98 HB3 LYS 16 HB3 LYS 16 24.295 38.040 28.887 99 HG2 LYS 16 HG2 LYS 16 22.646 37.216 30.571 100 HG3 LYS 16 HG3 LYS 16 23.966 37.006 31.738 101 HD2 LYS 16 HD2 LYS 16 24.479 39.508 31.373 102 HD3 LYS 16 HD3 LYS 16 22.931 39.619 30.541 103 HE2 LYS 16 HE2 LYS 16 23.334 38.656 33.415 104 HE3 LYS 16 HE3 LYS 16 22.945 40.319 32.973 105 HZ1 LYS 16 HZ1 LYS 16 20.955 39.072 33.603 106 HZ2 LYS 16 HZ2 LYS 16 20.847 39.535 32.040 107 HZ3 LYS 16 HZ3 LYS 16 21.216 37.966 32.447 108 H VAL 17 H VAL 17 24.222 36.247 26.854 109 HA VAL 17 HA VAL 17 21.465 35.346 27.001 110 HB VAL 17 HB VAL 17 22.229 37.108 25.484 111 HG11 VAL 17 HG11 VAL 17 23.340 36.661 23.389 112 HG12 VAL 17 HG12 VAL 17 24.391 36.114 24.699 113 HG13 VAL 17 HG13 VAL 17 23.472 34.935 23.742 114 HG21 VAL 17 HG21 VAL 17 20.118 35.847 25.054 115 HG22 VAL 17 HG22 VAL 17 20.876 36.460 23.571 116 HG23 VAL 17 HG23 VAL 17 21.008 34.750 23.981 117 H SER 18 H SER 18 24.504 33.897 25.893 118 HA SER 18 HA SER 18 23.447 31.602 24.653 119 HB2 SER 18 HB2 SER 18 26.163 31.658 25.934 120 HB3 SER 18 HB3 SER 18 25.689 31.127 24.316 121 HG SER 18 HG SER 18 26.918 33.123 24.530 122 H GLN 19 H GLN 19 24.950 32.124 27.883 123 HA GLN 19 HA GLN 19 24.173 29.665 29.111 124 HB2 GLN 19 HB2 GLN 19 24.436 32.505 30.182 125 HB3 GLN 19 HB3 GLN 19 24.229 31.077 31.216 126 HG2 GLN 19 HG2 GLN 19 26.270 30.083 30.424 127 HG3 GLN 19 HG3 GLN 19 26.493 31.303 29.176 128 HE21 GLN 19 HE22 GLN 19 28.544 30.762 30.825 129 HE22 GLN 19 HE21 GLN 19 28.775 32.118 31.944 130 H ASP 20 H ASP 20 22.244 32.674 28.682 131 HA ASP 20 HA ASP 20 19.962 31.814 30.147 132 HB2 ASP 20 HB2 ASP 20 20.472 34.135 29.645 133 HB3 ASP 20 HB3 ASP 20 20.249 33.850 27.921 134 H TYR 21 H TYR 21 20.760 31.412 26.665 135 HA TYR 21 HA TYR 21 18.359 30.126 25.845 136 HB2 TYR 21 HB2 TYR 21 20.416 30.812 24.448 137 HB3 TYR 21 HB3 TYR 21 21.141 29.290 24.932 138 HD1 TYR 21 HD1 TYR 21 18.468 30.951 23.065 139 HD2 TYR 21 HD2 TYR 21 20.261 27.095 23.906 140 HE1 TYR 21 HE1 TYR 21 17.064 29.904 21.310 141 HE2 TYR 21 HE2 TYR 21 18.867 26.089 22.117 142 HH TYR 21 HH TYR 21 16.488 27.988 20.244 143 H CYS 22 H CYS 22 21.277 28.685 27.359 144 HA CYS 22 HA CYS 22 20.280 25.976 27.320 145 HB2 CYS 22 HB2 CYS 22 22.634 26.574 27.432 146 HB3 CYS 22 HB3 CYS 22 22.407 27.355 28.985 147 H LEU 23 H LEU 23 19.854 28.623 29.577 148 HA LEU 23 HA LEU 23 18.407 27.133 31.598 149 HB2 LEU 23 HB2 LEU 23 19.223 29.906 30.962 150 HB3 LEU 23 HB3 LEU 23 17.691 29.767 31.798 151 HG LEU 23 HG LEU 23 18.684 28.617 33.670 152 HD11 LEU 23 HD11 LEU 23 21.139 28.337 33.869 153 HD12 LEU 23 HD12 LEU 23 20.462 27.302 32.611 154 HD13 LEU 23 HD13 LEU 23 21.329 28.792 32.161 155 HD21 LEU 23 HD21 LEU 23 20.108 30.459 34.476 156 HD22 LEU 23 HD22 LEU 23 20.345 31.022 32.803 157 HD23 LEU 23 HD23 LEU 23 18.735 31.093 33.552 158 H LYS 24 H LYS 24 17.440 27.780 28.450 159 HA LYS 24 HA LYS 24 14.594 27.207 29.266 160 HB2 LYS 24 HB2 LYS 24 15.535 28.764 26.823 161 HB3 LYS 24 HB3 LYS 24 13.855 28.324 27.209 162 HG2 LYS 24 HG2 LYS 24 14.212 29.538 29.439 163 HG3 LYS 24 HG3 LYS 24 15.708 30.173 28.722 164 HD2 LYS 24 HD2 LYS 24 14.499 31.402 27.051 165 HD3 LYS 24 HD3 LYS 24 12.992 30.551 27.452 166 HE2 LYS 24 HE2 LYS 24 13.196 31.490 29.817 167 HE3 LYS 24 HE3 LYS 24 14.543 32.481 29.241 168 HZ1 LYS 24 HZ1 LYS 24 13.004 33.485 27.641 169 HZ2 LYS 24 HZ2 LYS 24 11.763 32.574 28.214 170 HZ3 LYS 24 HZ3 LYS 24 12.486 33.705 29.192 171 H HIS 25 H HIS 25 17.288 26.084 27.566 172 HA HIS 25 HA HIS 25 15.640 23.977 26.168 173 HB2 HIS 25 HB2 HIS 25 17.925 25.655 25.065 174 HB3 HIS 25 HB3 HIS 25 17.198 24.288 24.241 175 HD2 HIS 25 HD2 HIS 25 16.623 27.972 24.877 176 HE1 HIS 25 HE1 HIS 25 13.705 26.642 22.085 177 HE2 HIS 25 HE2 HIS 25 14.765 28.691 23.160 178 H CYS 26 H CYS 26 18.132 24.185 28.451 179 HA CYS 26 HA CYS 26 19.751 22.855 29.161 180 HB2 CYS 26 HB2 CYS 26 17.709 21.266 28.987 181 HB3 CYS 26 HB3 CYS 26 18.578 20.537 27.643 182 H LYS 27 H LYS 27 19.912 23.851 26.131 183 HA LYS 27 HA LYS 27 22.535 22.543 25.532 184 HB2 LYS 27 HB2 LYS 27 22.030 22.527 23.188 185 HB3 LYS 27 HB3 LYS 27 20.796 21.603 24.040 186 HG2 LYS 27 HG2 LYS 27 19.245 23.521 23.854 187 HG3 LYS 27 HG3 LYS 27 20.479 24.475 23.048 188 HD2 LYS 27 HD2 LYS 27 19.147 21.973 22.003 189 HD3 LYS 27 HD3 LYS 27 18.905 23.618 21.439 190 HE2 LYS 27 HE2 LYS 27 21.543 22.077 21.226 191 HE3 LYS 27 HE3 LYS 27 20.331 22.165 19.947 192 HZ1 LYS 27 HZ1 LYS 27 22.064 23.797 19.579 193 HZ2 LYS 27 HZ2 LYS 27 20.625 24.544 19.865 194 HZ3 LYS 27 HZ3 LYS 27 21.754 24.550 21.014 195 H CYS 28 H CYS 28 23.854 23.818 23.960 196 HA CYS 28 HA CYS 28 23.834 26.637 24.732 197 HB2 CYS 28 HB2 CYS 28 25.887 25.190 24.365 198 HB3 CYS 28 HB3 CYS 28 25.589 25.359 22.635 199 H ILE 29 H ILE 29 24.037 28.348 23.064 200 HA ILE 29 HA ILE 29 21.477 28.556 21.810 201 HB ILE 29 HB ILE 29 22.549 30.281 23.130 202 HG12 ILE 29 HG12 ILE 29 22.089 31.366 20.335 203 HG13 ILE 29 HG13 ILE 29 20.809 30.909 21.475 204 HG21 ILE 29 HG21 ILE 29 24.883 29.938 22.411 205 HG22 ILE 29 HG22 ILE 29 24.501 30.646 20.829 206 HG23 ILE 29 HG23 ILE 29 24.417 31.625 22.309 207 HD11 ILE 29 HD11 ILE 29 21.693 32.583 23.105 208 HD12 ILE 29 HD12 ILE 29 22.827 33.142 21.849 209 HD13 ILE 29 HD13 ILE 29 21.085 33.282 21.589 210 HA PRO 30 HA PRO 30 21.904 27.044 17.912 211 HB2 PRO 30 HB2 PRO 30 20.701 29.528 16.694 212 HB3 PRO 30 HB3 PRO 30 20.321 27.804 16.363 213 HG2 PRO 30 HG2 PRO 30 18.755 29.180 18.056 214 HG3 PRO 30 HG3 PRO 30 19.320 27.544 18.533 215 HD2 PRO 30 HD2 PRO 30 20.442 30.231 19.314 216 HD3 PRO 30 HD3 PRO 30 20.070 28.828 20.359 217 H ARG 31 H ARG 31 23.610 26.586 16.757 218 HA ARG 31 HA ARG 31 24.843 28.452 14.896 219 HB2 ARG 31 HB2 ARG 31 27.158 28.161 15.712 220 HB3 ARG 31 HB3 ARG 31 26.126 29.100 16.776 221 HG2 ARG 31 HG2 ARG 31 25.835 26.981 18.202 222 HG3 ARG 31 HG3 ARG 31 27.119 26.266 17.214 223 HD2 ARG 31 HD2 ARG 31 28.587 28.222 17.857 224 HD3 ARG 31 HD3 ARG 31 27.280 28.786 18.917 225 HE ARG 31 HE ARG 31 28.335 26.029 19.279 226 HH11 ARG 31 HH21 ARG 31 28.201 29.255 20.669 227 HH12 ARG 31 HH22 ARG 31 28.792 28.674 22.210 228 HH21 ARG 31 HH11 ARG 31 29.084 25.418 21.150 229 HH22 ARG 31 HH12 ARG 31 29.476 26.567 22.424 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 17.712 19.445 37.859 2 H2 GLY 1 H2 GLY 1 17.813 20.362 36.493 3 H3 GLY 1 H3 GLY 1 16.395 20.267 37.322 4 HA2 GLY 1 HA2 GLY 1 17.370 21.379 39.223 5 HA3 GLY 1 HA3 GLY 1 18.877 21.493 38.285 6 H SER 2 H SER 2 18.775 23.782 38.493 7 HA SER 2 HA SER 2 16.546 25.364 37.583 8 HB2 SER 2 HB2 SER 2 19.455 26.102 38.041 9 HB3 SER 2 HB3 SER 2 18.133 27.251 37.741 10 HG SER 2 HG SER 2 18.433 27.039 39.923 11 H GLY 3 H GLY 3 15.870 25.407 35.540 12 HA2 GLY 3 HA2 GLY 3 15.865 25.626 33.205 13 HA3 GLY 3 HA3 GLY 3 17.582 26.043 33.262 14 H CYS 4 H CYS 4 19.059 24.283 33.681 15 HA CYS 4 HA CYS 4 18.051 21.538 33.402 16 HB2 CYS 4 HB2 CYS 4 19.190 22.485 31.218 17 HB3 CYS 4 HB3 CYS 4 20.689 22.119 32.066 18 H MET 5 H MET 5 21.275 23.030 33.786 19 HA MET 5 HA MET 5 20.772 23.453 36.588 20 HB2 MET 5 HB2 MET 5 23.384 22.065 35.837 21 HB3 MET 5 HB3 MET 5 22.929 22.676 37.421 22 HG2 MET 5 HG2 MET 5 21.111 20.987 37.538 23 HG3 MET 5 HG3 MET 5 21.615 20.364 35.959 24 HE1 MET 5 HE1 MET 5 21.771 17.982 36.825 25 HE2 MET 5 HE2 MET 5 22.672 17.472 38.268 26 HE3 MET 5 HE3 MET 5 21.243 18.514 38.439 27 H LYS 6 H LYS 6 21.958 25.370 37.264 28 HA LYS 6 HA LYS 6 22.844 27.135 35.166 29 HB2 LYS 6 HB2 LYS 6 21.954 27.898 37.357 30 HB3 LYS 6 HB3 LYS 6 23.412 27.281 38.157 31 HG2 LYS 6 HG2 LYS 6 24.817 28.866 36.901 32 HG3 LYS 6 HG3 LYS 6 23.426 29.380 35.937 33 HD2 LYS 6 HD2 LYS 6 23.946 31.045 37.614 34 HD3 LYS 6 HD3 LYS 6 22.359 30.334 37.947 35 HE2 LYS 6 HE2 LYS 6 23.404 28.875 39.681 36 HE3 LYS 6 HE3 LYS 6 24.983 29.604 39.339 37 HZ1 LYS 6 HZ1 LYS 6 24.123 31.728 40.071 38 HZ2 LYS 6 HZ2 LYS 6 22.608 31.100 40.316 39 HZ3 LYS 6 HZ3 LYS 6 23.867 30.620 41.243 40 H GLU 7 H GLU 7 24.703 25.104 37.457 41 HA GLU 7 HA GLU 7 27.306 25.871 36.598 42 HB2 GLU 7 HB2 GLU 7 26.292 23.229 37.749 43 HB3 GLU 7 HB3 GLU 7 27.979 23.697 37.590 44 HG2 GLU 7 HG2 GLU 7 27.573 24.194 39.797 45 HG3 GLU 7 HG3 GLU 7 27.416 25.766 39.026 46 H TYR 8 H TYR 8 25.212 23.226 35.409 47 HA TYR 8 HA TYR 8 26.974 22.138 33.453 48 HB2 TYR 8 HB2 TYR 8 24.911 21.085 34.308 49 HB3 TYR 8 HB3 TYR 8 23.932 22.316 33.533 50 HD1 TYR 8 HD1 TYR 8 23.602 22.330 31.071 51 HD2 TYR 8 HD2 TYR 8 25.867 19.251 33.072 52 HE1 TYR 8 HE1 TYR 8 23.284 20.827 29.110 53 HE2 TYR 8 HE2 TYR 8 25.534 17.744 31.101 54 HH TYR 8 HH TYR 8 23.655 18.725 28.207 55 H CYS 9 H CYS 9 24.379 24.629 33.083 56 HA CYS 9 HA CYS 9 24.968 25.174 30.340 57 HB2 CYS 9 HB2 CYS 9 23.486 26.666 32.527 58 HB3 CYS 9 HB3 CYS 9 23.615 27.291 30.883 59 H ALA 10 H ALA 10 26.241 26.738 33.316 60 HA ALA 10 HA ALA 10 27.628 28.825 31.936 61 HB1 ALA 10 HB1 ALA 10 28.144 27.553 34.664 62 HB2 ALA 10 HB2 ALA 10 28.795 29.107 34.096 63 HB3 ALA 10 HB3 ALA 10 27.050 28.917 34.327 64 H GLY 11 H GLY 11 28.627 25.509 32.835 65 HA2 GLY 11 HA2 GLY 11 31.364 25.752 31.934 66 HA3 GLY 11 HA3 GLY 11 30.465 24.254 32.210 67 H GLN 12 H GLN 12 28.458 24.243 30.422 68 HA GLN 12 HA GLN 12 29.750 23.513 27.987 69 HB2 GLN 12 HB2 GLN 12 26.825 23.966 28.691 70 HB3 GLN 12 HB3 GLN 12 27.352 23.247 27.181 71 HG2 GLN 12 HG2 GLN 12 28.109 22.042 29.888 72 HG3 GLN 12 HG3 GLN 12 26.596 21.678 29.070 73 HE21 GLN 12 HE22 GLN 12 27.902 19.499 29.510 74 HE22 GLN 12 HE21 GLN 12 28.611 18.881 28.025 75 H CYS 13 H CYS 13 27.882 26.479 28.799 76 HA CYS 13 HA CYS 13 28.403 27.541 26.046 77 HB2 CYS 13 HB2 CYS 13 25.989 28.114 27.768 78 HB3 CYS 13 HB3 CYS 13 26.189 28.402 26.045 79 H ARG 14 H ARG 14 28.610 29.876 25.831 80 HA ARG 14 HA ARG 14 28.723 31.524 28.249 81 HB2 ARG 14 HB2 ARG 14 31.053 32.227 27.965 82 HB3 ARG 14 HB3 ARG 14 30.830 30.561 28.469 83 HG2 ARG 14 HG2 ARG 14 31.350 29.754 26.194 84 HG3 ARG 14 HG3 ARG 14 31.474 31.416 25.610 85 HD2 ARG 14 HD2 ARG 14 33.679 30.412 25.973 86 HD3 ARG 14 HD3 ARG 14 33.421 31.825 27.006 87 HE ARG 14 HE ARG 14 32.755 29.342 28.383 88 HH11 ARG 14 HH11 ARG 14 35.618 31.152 27.332 89 HH12 ARG 14 HH12 ARG 14 36.482 30.704 28.793 90 HH21 ARG 14 HH21 ARG 14 34.125 28.785 30.202 91 HH22 ARG 14 HH22 ARG 14 35.761 29.429 30.162 92 H GLY 15 H GLY 15 29.300 33.681 27.982 93 HA2 GLY 15 HA2 GLY 15 28.545 35.725 27.001 94 HA3 GLY 15 HA3 GLY 15 27.832 34.826 25.649 95 H LYS 16 H LYS 16 26.717 36.612 27.961 96 HA LYS 16 HA LYS 16 25.335 34.937 29.798 97 HB2 LYS 16 HB2 LYS 16 25.822 37.352 30.151 98 HB3 LYS 16 HB3 LYS 16 24.652 37.771 28.902 99 HG2 LYS 16 HG2 LYS 16 23.688 38.117 31.086 100 HG3 LYS 16 HG3 LYS 16 22.816 36.819 30.275 101 HD2 LYS 16 HD2 LYS 16 24.114 35.138 31.615 102 HD3 LYS 16 HD3 LYS 16 24.951 36.459 32.437 103 HE2 LYS 16 HE2 LYS 16 21.957 35.839 32.520 104 HE3 LYS 16 HE3 LYS 16 23.136 35.516 33.797 105 HZ1 LYS 16 HZ1 LYS 16 22.065 37.528 34.369 106 HZ2 LYS 16 HZ2 LYS 16 23.541 37.971 33.847 107 HZ3 LYS 16 HZ3 LYS 16 22.219 38.171 32.865 108 H VAL 17 H VAL 17 24.278 36.138 26.633 109 HA VAL 17 HA VAL 17 21.528 35.205 26.911 110 HB VAL 17 HB VAL 17 23.092 35.934 24.408 111 HG11 VAL 17 HG11 VAL 17 21.119 34.660 23.786 112 HG12 VAL 17 HG12 VAL 17 20.115 35.608 24.906 113 HG13 VAL 17 HG13 VAL 17 20.812 36.362 23.454 114 HG21 VAL 17 HG21 VAL 17 22.944 37.821 26.004 115 HG22 VAL 17 HG22 VAL 17 21.895 38.098 24.611 116 HG23 VAL 17 HG23 VAL 17 21.192 37.557 26.154 117 H SER 18 H SER 18 24.552 33.778 25.617 118 HA SER 18 HA SER 18 23.428 31.428 24.525 119 HB2 SER 18 HB2 SER 18 26.125 31.554 25.875 120 HB3 SER 18 HB3 SER 18 25.643 30.722 24.399 121 HG SER 18 HG SER 18 26.974 32.694 24.302 122 H GLN 19 H GLN 19 24.741 32.129 27.813 123 HA GLN 19 HA GLN 19 23.957 29.595 28.944 124 HB2 GLN 19 HB2 GLN 19 24.555 32.339 30.105 125 HB3 GLN 19 HB3 GLN 19 24.213 30.908 31.107 126 HG2 GLN 19 HG2 GLN 19 26.101 29.711 30.236 127 HG3 GLN 19 HG3 GLN 19 26.385 30.898 28.970 128 HE21 GLN 19 HE22 GLN 19 28.538 30.285 30.294 129 HE22 GLN 19 HE21 GLN 19 28.994 31.601 31.385 130 H ASP 20 H ASP 20 22.180 32.741 28.834 131 HA ASP 20 HA ASP 20 19.918 31.903 30.323 132 HB2 ASP 20 HB2 ASP 20 20.573 34.216 29.825 133 HB3 ASP 20 HB3 ASP 20 20.185 33.970 28.117 134 H TYR 21 H TYR 21 20.570 31.576 26.812 135 HA TYR 21 HA TYR 21 18.086 30.310 26.112 136 HB2 TYR 21 HB2 TYR 21 19.840 31.176 24.538 137 HB3 TYR 21 HB3 TYR 21 20.869 29.824 24.984 138 HD1 TYR 21 HD2 TYR 21 17.812 30.864 23.235 139 HD2 TYR 21 HD1 TYR 21 20.343 27.514 24.178 140 HE1 TYR 21 HE2 TYR 21 16.735 29.552 21.419 141 HE2 TYR 21 HE1 TYR 21 19.255 26.186 22.387 142 HH TYR 21 HH TYR 21 16.725 27.611 20.271 143 H CYS 22 H CYS 22 21.136 28.964 27.475 144 HA CYS 22 HA CYS 22 20.280 26.199 27.238 145 HB2 CYS 22 HB2 CYS 22 22.616 26.850 27.315 146 HB3 CYS 22 HB3 CYS 22 22.426 27.525 28.929 147 H LEU 23 H LEU 23 19.876 28.704 29.719 148 HA LEU 23 HA LEU 23 18.581 27.036 31.658 149 HB2 LEU 23 HB2 LEU 23 19.027 29.916 31.112 150 HB3 LEU 23 HB3 LEU 23 17.522 29.572 31.948 151 HG LEU 23 HG LEU 23 18.694 28.436 33.760 152 HD11 LEU 23 HD11 LEU 23 20.598 27.404 32.595 153 HD12 LEU 23 HD12 LEU 23 21.270 29.009 32.231 154 HD13 LEU 23 HD13 LEU 23 21.173 28.431 33.908 155 HD21 LEU 23 HD21 LEU 23 20.063 31.058 33.032 156 HD22 LEU 23 HD22 LEU 23 18.484 30.904 33.836 157 HD23 LEU 23 HD23 LEU 23 19.954 30.348 34.662 158 H LYS 24 H LYS 24 17.407 27.987 28.563 159 HA LYS 24 HA LYS 24 14.624 27.125 29.308 160 HB2 LYS 24 HB2 LYS 24 15.724 28.506 26.835 161 HB3 LYS 24 HB3 LYS 24 14.076 27.927 26.997 162 HG2 LYS 24 HG2 LYS 24 15.355 30.012 28.814 163 HG3 LYS 24 HG3 LYS 24 14.366 30.380 27.400 164 HD2 LYS 24 HD2 LYS 24 12.444 29.176 28.432 165 HD3 LYS 24 HD3 LYS 24 13.425 28.877 29.879 166 HE2 LYS 24 HE2 LYS 24 13.699 31.308 30.216 167 HE3 LYS 24 HE3 LYS 24 12.701 31.623 28.778 168 HZ1 LYS 24 HZ1 LYS 24 11.401 31.725 30.859 169 HZ2 LYS 24 HZ2 LYS 24 10.861 30.483 29.903 170 HZ3 LYS 24 HZ3 LYS 24 11.794 30.164 31.189 171 H HIS 25 H HIS 25 17.431 26.177 27.497 172 HA HIS 25 HA HIS 25 15.890 23.908 26.264 173 HB2 HIS 25 HB2 HIS 25 18.041 25.764 25.193 174 HB3 HIS 25 HB3 HIS 25 17.579 24.288 24.368 175 HD2 HIS 25 HD2 HIS 25 16.528 27.863 24.671 176 HE1 HIS 25 HE1 HIS 25 13.196 25.900 22.881 177 HE2 HIS 25 HE2 HIS 25 14.200 28.159 23.444 178 H CYS 26 H CYS 26 18.424 24.160 28.493 179 HA CYS 26 HA CYS 26 20.194 22.923 29.069 180 HB2 CYS 26 HB2 CYS 26 18.263 21.223 29.154 181 HB3 CYS 26 HB3 CYS 26 18.974 20.524 27.704 182 H LYS 27 H LYS 27 20.119 24.019 26.149 183 HA LYS 27 HA LYS 27 22.582 22.646 25.119 184 HB2 LYS 27 HB2 LYS 27 20.205 23.660 23.514 185 HB3 LYS 27 HB3 LYS 27 21.677 22.972 22.831 186 HG2 LYS 27 HG2 LYS 27 21.146 20.766 23.696 187 HG3 LYS 27 HG3 LYS 27 19.795 21.396 24.631 188 HD2 LYS 27 HD2 LYS 27 18.968 22.280 22.226 189 HD3 LYS 27 HD3 LYS 27 20.028 20.990 21.656 190 HE2 LYS 27 HE2 LYS 27 17.856 20.019 21.844 191 HE3 LYS 27 HE3 LYS 27 18.774 19.416 23.230 192 HZ1 LYS 27 HZ1 LYS 27 16.633 20.137 23.996 193 HZ2 LYS 27 HZ2 LYS 27 17.705 21.236 24.552 194 HZ3 LYS 27 HZ3 LYS 27 16.769 21.588 23.240 195 H CYS 28 H CYS 28 23.921 24.042 23.779 196 HA CYS 28 HA CYS 28 23.804 26.851 24.562 197 HB2 CYS 28 HB2 CYS 28 25.639 25.539 22.546 198 HB3 CYS 28 HB3 CYS 28 25.824 27.133 23.291 199 H ILE 29 H ILE 29 23.806 28.642 23.070 200 HA ILE 29 HA ILE 29 21.332 28.542 21.676 201 HB ILE 29 HB ILE 29 22.029 30.407 23.043 202 HG12 ILE 29 HG12 ILE 29 21.511 31.262 20.168 203 HG13 ILE 29 HG13 ILE 29 20.293 30.646 21.286 204 HG21 ILE 29 HG21 ILE 29 23.651 32.079 22.312 205 HG22 ILE 29 HG22 ILE 29 24.439 30.516 22.413 206 HG23 ILE 29 HG23 ILE 29 23.982 31.174 20.826 207 HD11 ILE 29 HD11 ILE 29 21.860 33.237 21.528 208 HD12 ILE 29 HD12 ILE 29 20.121 33.032 21.285 209 HD13 ILE 29 HD13 ILE 29 20.856 32.562 22.837 210 HA PRO 30 HA PRO 30 22.816 28.330 17.368 211 HB2 PRO 30 HB2 PRO 30 19.964 28.978 16.762 212 HB3 PRO 30 HB3 PRO 30 20.989 27.668 16.123 213 HG2 PRO 30 HG2 PRO 30 19.017 27.174 17.942 214 HG3 PRO 30 HG3 PRO 30 20.592 26.321 18.039 215 HD2 PRO 30 HD2 PRO 30 19.707 28.791 19.576 216 HD3 PRO 30 HD3 PRO 30 20.454 27.275 20.188 217 H ARG 31 H ARG 31 23.990 30.122 16.972 218 HA ARG 31 HA ARG 31 22.717 32.751 16.516 219 HB2 ARG 31 HB2 ARG 31 24.127 33.967 17.973 220 HB3 ARG 31 HB3 ARG 31 23.404 32.698 18.946 221 HG2 ARG 31 HG2 ARG 31 25.502 31.397 18.872 222 HG3 ARG 31 HG3 ARG 31 26.227 32.567 17.756 223 HD2 ARG 31 HD2 ARG 31 25.938 34.352 19.518 224 HD3 ARG 31 HD3 ARG 31 25.398 33.094 20.626 225 HE ARG 31 HE ARG 31 27.586 32.347 20.880 226 HH11 ARG 31 HH21 ARG 31 27.627 34.563 18.090 227 HH12 ARG 31 HH22 ARG 31 29.402 34.546 18.130 228 HH21 ARG 31 HH11 ARG 31 29.777 32.566 20.812 229 HH22 ARG 31 HH12 ARG 31 30.508 33.436 19.465 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 11.233 24.472 27.592 2 H2 GLY 1 H2 GLY 1 12.646 25.227 28.006 3 H3 GLY 1 H3 GLY 1 11.201 25.963 28.279 4 HA2 GLY 1 HA2 GLY 1 10.570 24.316 29.880 5 HA3 GLY 1 HA3 GLY 1 12.136 23.516 29.607 6 H SER 2 H SER 2 11.460 24.274 32.121 7 HA SER 2 HA SER 2 12.263 26.948 32.826 8 HB2 SER 2 HB2 SER 2 11.794 24.564 34.631 9 HB3 SER 2 HB3 SER 2 11.763 26.277 35.084 10 HG SER 2 HG SER 2 9.703 25.241 34.655 11 H GLY 3 H GLY 3 14.467 25.618 31.512 12 HA2 GLY 3 HA2 GLY 3 16.734 25.478 31.636 13 HA3 GLY 3 HA3 GLY 3 16.674 26.067 33.292 14 H CYS 4 H CYS 4 18.458 24.596 33.545 15 HA CYS 4 HA CYS 4 17.711 21.806 34.187 16 HB2 CYS 4 HB2 CYS 4 19.503 22.645 31.940 17 HB3 CYS 4 HB3 CYS 4 20.146 21.404 33.000 18 H MET 5 H MET 5 20.928 23.292 33.993 19 HA MET 5 HA MET 5 20.911 24.187 36.763 20 HB2 MET 5 HB2 MET 5 22.873 22.054 35.798 21 HB3 MET 5 HB3 MET 5 23.200 23.143 37.143 22 HG2 MET 5 HG2 MET 5 21.145 22.277 38.288 23 HG3 MET 5 HG3 MET 5 20.972 21.102 36.980 24 HE1 MET 5 HE1 MET 5 24.234 22.427 38.962 25 HE2 MET 5 HE2 MET 5 22.910 22.234 40.128 26 HE3 MET 5 HE3 MET 5 24.317 21.160 40.193 27 H LYS 6 H LYS 6 22.034 26.107 36.825 28 HA LYS 6 HA LYS 6 23.265 27.136 34.446 29 HB2 LYS 6 HB2 LYS 6 23.674 29.129 35.646 30 HB3 LYS 6 HB3 LYS 6 22.090 28.490 36.050 31 HG2 LYS 6 HG2 LYS 6 23.146 27.564 38.212 32 HG3 LYS 6 HG3 LYS 6 24.602 28.471 37.775 33 HD2 LYS 6 HD2 LYS 6 23.358 29.878 39.271 34 HD3 LYS 6 HD3 LYS 6 23.140 30.557 37.650 35 HE2 LYS 6 HE2 LYS 6 20.972 29.068 37.571 36 HE3 LYS 6 HE3 LYS 6 21.186 28.911 39.316 37 HZ1 LYS 6 HZ1 LYS 6 21.031 31.321 39.478 38 HZ2 LYS 6 HZ2 LYS 6 20.899 31.466 37.826 39 HZ3 LYS 6 HZ3 LYS 6 19.716 30.725 38.693 40 H GLU 7 H GLU 7 24.712 25.513 37.199 41 HA GLU 7 HA GLU 7 27.470 25.933 36.536 42 HB2 GLU 7 HB2 GLU 7 26.145 23.467 37.773 43 HB3 GLU 7 HB3 GLU 7 27.861 23.834 37.749 44 HG2 GLU 7 HG2 GLU 7 27.384 24.524 39.849 45 HG3 GLU 7 HG3 GLU 7 27.182 26.047 38.989 46 H TYR 8 H TYR 8 25.155 23.446 35.372 47 HA TYR 8 HA TYR 8 27.089 22.097 33.685 48 HB2 TYR 8 HB2 TYR 8 25.076 20.984 34.558 49 HB3 TYR 8 HB3 TYR 8 24.049 22.115 33.695 50 HD1 TYR 8 HD1 TYR 8 27.106 20.232 32.505 51 HD2 TYR 8 HD2 TYR 8 22.849 20.851 32.132 52 HE1 TYR 8 HE1 TYR 8 27.064 18.737 30.531 53 HE2 TYR 8 HE2 TYR 8 22.811 19.314 30.166 54 HH TYR 8 HH TYR 8 25.818 17.787 28.924 55 H CYS 9 H CYS 9 24.521 24.510 33.093 56 HA CYS 9 HA CYS 9 25.022 24.865 30.316 57 HB2 CYS 9 HB2 CYS 9 23.800 26.582 32.478 58 HB3 CYS 9 HB3 CYS 9 23.956 27.173 30.830 59 H ALA 10 H ALA 10 26.648 26.491 33.102 60 HA ALA 10 HA ALA 10 28.307 28.158 31.472 61 HB1 ALA 10 HB1 ALA 10 29.644 28.379 33.540 62 HB2 ALA 10 HB2 ALA 10 27.911 28.565 33.857 63 HB3 ALA 10 HB3 ALA 10 28.733 27.044 34.277 64 H GLY 11 H GLY 11 28.551 24.730 32.282 65 HA2 GLY 11 HA2 GLY 11 31.279 24.351 31.336 66 HA3 GLY 11 HA3 GLY 11 30.048 23.115 31.620 67 H GLN 12 H GLN 12 28.138 24.564 29.760 68 HA GLN 12 HA GLN 12 29.169 23.476 27.184 69 HB2 GLN 12 HB2 GLN 12 26.384 24.323 28.084 70 HB3 GLN 12 HB3 GLN 12 26.794 23.708 26.481 71 HG2 GLN 12 HG2 GLN 12 27.583 21.574 27.551 72 HG3 GLN 12 HG3 GLN 12 26.973 22.175 29.099 73 HE21 GLN 12 HE22 GLN 12 24.652 22.163 29.433 74 HE22 GLN 12 HE21 GLN 12 23.544 21.553 28.208 75 H CYS 13 H CYS 13 28.277 26.552 28.637 76 HA CYS 13 HA CYS 13 28.534 28.012 26.052 77 HB2 CYS 13 HB2 CYS 13 26.197 26.832 26.829 78 HB3 CYS 13 HB3 CYS 13 26.068 28.332 27.723 79 H ARG 14 H ARG 14 28.894 30.244 26.244 80 HA ARG 14 HA ARG 14 28.459 31.609 28.812 81 HB2 ARG 14 HB2 ARG 14 30.706 32.524 28.940 82 HB3 ARG 14 HB3 ARG 14 30.652 30.778 29.170 83 HG2 ARG 14 HG2 ARG 14 31.548 30.363 26.946 84 HG3 ARG 14 HG3 ARG 14 31.390 32.069 26.524 85 HD2 ARG 14 HD2 ARG 14 33.691 31.646 26.976 86 HD3 ARG 14 HD3 ARG 14 33.059 32.648 28.295 87 HE ARG 14 HE ARG 14 32.841 29.966 29.157 88 HH11 ARG 14 HH11 ARG 14 35.475 32.180 28.418 89 HH12 ARG 14 HH12 ARG 14 36.644 31.157 29.212 90 HH21 ARG 14 HH21 ARG 14 34.309 28.819 30.218 91 HH22 ARG 14 HH22 ARG 14 35.995 29.323 30.298 92 H GLY 15 H GLY 15 28.867 33.889 28.781 93 HA2 GLY 15 HA2 GLY 15 28.283 35.968 27.743 94 HA3 GLY 15 HA3 GLY 15 27.749 35.112 26.294 95 H LYS 16 H LYS 16 26.291 36.960 28.067 96 HA LYS 16 HA LYS 16 24.611 35.761 29.998 97 HB2 LYS 16 HB2 LYS 16 25.040 38.202 29.715 98 HB3 LYS 16 HB3 LYS 16 24.134 38.170 28.202 99 HG2 LYS 16 HG2 LYS 16 22.093 37.432 29.564 100 HG3 LYS 16 HG3 LYS 16 23.059 37.715 31.017 101 HD2 LYS 16 HD2 LYS 16 21.659 39.644 30.599 102 HD3 LYS 16 HD3 LYS 16 23.338 40.115 30.287 103 HE2 LYS 16 HE2 LYS 16 22.988 39.850 27.857 104 HE3 LYS 16 HE3 LYS 16 21.358 39.214 28.138 105 HZ1 LYS 16 HZ1 LYS 16 22.243 41.973 28.756 106 HZ2 LYS 16 HZ2 LYS 16 21.304 41.498 27.479 107 HZ3 LYS 16 HZ3 LYS 16 20.734 41.380 29.020 108 H VAL 17 H VAL 17 23.990 36.307 26.533 109 HA VAL 17 HA VAL 17 21.223 35.374 26.660 110 HB VAL 17 HB VAL 17 22.932 36.010 24.238 111 HG11 VAL 17 HG11 VAL 17 20.754 36.449 23.142 112 HG12 VAL 17 HG12 VAL 17 20.886 34.763 23.640 113 HG13 VAL 17 HG13 VAL 17 19.906 35.899 24.600 114 HG21 VAL 17 HG21 VAL 17 22.880 37.968 25.655 115 HG22 VAL 17 HG22 VAL 17 21.712 38.219 24.362 116 HG23 VAL 17 HG23 VAL 17 21.141 37.753 25.977 117 H SER 18 H SER 18 24.371 34.094 25.565 118 HA SER 18 HA SER 18 23.534 31.647 24.484 119 HB2 SER 18 HB2 SER 18 26.068 31.955 26.083 120 HB3 SER 18 HB3 SER 18 25.800 31.142 24.535 121 HG SER 18 HG SER 18 26.980 33.222 24.648 122 H GLN 19 H GLN 19 24.619 32.380 27.889 123 HA GLN 19 HA GLN 19 23.809 29.817 28.920 124 HB2 GLN 19 HB2 GLN 19 24.365 32.541 30.132 125 HB3 GLN 19 HB3 GLN 19 23.880 31.150 31.132 126 HG2 GLN 19 HG2 GLN 19 25.755 29.825 30.373 127 HG3 GLN 19 HG3 GLN 19 26.202 31.028 29.166 128 HE21 GLN 19 HE22 GLN 19 28.178 30.263 30.684 129 HE22 GLN 19 HE21 GLN 19 28.583 31.583 31.796 130 H ASP 20 H ASP 20 21.982 32.901 28.651 131 HA ASP 20 HA ASP 20 19.652 32.081 30.042 132 HB2 ASP 20 HB2 ASP 20 20.010 34.362 29.452 133 HB3 ASP 20 HB3 ASP 20 20.129 33.974 27.736 134 H TYR 21 H TYR 21 20.500 31.616 26.556 135 HA TYR 21 HA TYR 21 18.160 30.146 25.833 136 HB2 TYR 21 HB2 TYR 21 19.973 31.069 24.313 137 HB3 TYR 21 HB3 TYR 21 20.969 29.697 24.779 138 HD1 TYR 21 HD1 TYR 21 20.324 27.374 24.068 139 HD2 TYR 21 HD2 TYR 21 18.126 30.854 22.783 140 HE1 TYR 21 HE1 TYR 21 19.187 26.015 22.312 141 HE2 TYR 21 HE2 TYR 21 16.991 29.505 21.046 142 HH TYR 21 HH TYR 21 16.743 27.474 20.111 143 H CYS 22 H CYS 22 21.172 29.029 27.449 144 HA CYS 22 HA CYS 22 20.383 26.223 27.329 145 HB2 CYS 22 HB2 CYS 22 22.715 27.040 27.433 146 HB3 CYS 22 HB3 CYS 22 22.442 27.611 29.077 147 H LEU 23 H LEU 23 19.870 28.827 29.665 148 HA LEU 23 HA LEU 23 18.416 27.141 31.545 149 HB2 LEU 23 HB2 LEU 23 19.152 30.002 31.169 150 HB3 LEU 23 HB3 LEU 23 17.674 29.674 32.082 151 HG LEU 23 HG LEU 23 18.814 28.324 33.689 152 HD11 LEU 23 HD11 LEU 23 20.543 27.202 32.369 153 HD12 LEU 23 HD12 LEU 23 21.377 28.752 32.085 154 HD13 LEU 23 HD13 LEU 23 21.282 28.052 33.717 155 HD21 LEU 23 HD21 LEU 23 20.354 30.006 34.667 156 HD22 LEU 23 HD22 LEU 23 20.407 30.858 33.102 157 HD23 LEU 23 HD23 LEU 23 18.890 30.755 34.027 158 H LYS 24 H LYS 24 17.568 28.074 28.488 159 HA LYS 24 HA LYS 24 14.630 27.722 29.022 160 HB2 LYS 24 HB2 LYS 24 16.216 28.819 26.681 161 HB3 LYS 24 HB3 LYS 24 14.487 28.487 26.594 162 HG2 LYS 24 HG2 LYS 24 13.953 30.149 28.134 163 HG3 LYS 24 HG3 LYS 24 15.609 30.274 28.762 164 HD2 LYS 24 HD2 LYS 24 16.424 31.331 26.807 165 HD3 LYS 24 HD3 LYS 24 14.984 30.911 25.884 166 HE2 LYS 24 HE2 LYS 24 13.620 32.471 27.104 167 HE3 LYS 24 HE3 LYS 24 14.945 32.838 28.231 168 HZ1 LYS 24 HZ1 LYS 24 16.139 33.901 26.542 169 HZ2 LYS 24 HZ2 LYS 24 15.249 33.247 25.317 170 HZ3 LYS 24 HZ3 LYS 24 14.598 34.419 26.271 171 H HIS 25 H HIS 25 17.388 26.180 27.680 172 HA HIS 25 HA HIS 25 15.733 23.981 26.456 173 HB2 HIS 25 HB2 HIS 25 17.943 25.585 25.101 174 HB3 HIS 25 HB3 HIS 25 17.133 24.185 24.417 175 HD2 HIS 25 HD2 HIS 25 16.737 27.923 24.733 176 HE1 HIS 25 HE1 HIS 25 13.175 26.524 22.870 177 HE2 HIS 25 HE2 HIS 25 14.502 28.602 23.507 178 H CYS 26 H CYS 26 18.316 24.372 28.596 179 HA CYS 26 HA CYS 26 19.939 23.135 29.382 180 HB2 CYS 26 HB2 CYS 26 18.522 20.769 28.167 181 HB3 CYS 26 HB3 CYS 26 19.672 20.752 29.498 182 H LYS 27 H LYS 27 20.283 24.110 26.591 183 HA LYS 27 HA LYS 27 22.882 22.824 25.981 184 HB2 LYS 27 HB2 LYS 27 22.280 22.488 23.630 185 HB3 LYS 27 HB3 LYS 27 21.255 21.550 24.712 186 HG2 LYS 27 HG2 LYS 27 19.497 23.435 24.478 187 HG3 LYS 27 HG3 LYS 27 20.550 24.142 23.258 188 HD2 LYS 27 HD2 LYS 27 18.802 22.890 22.202 189 HD3 LYS 27 HD3 LYS 27 20.365 22.094 21.905 190 HE2 LYS 27 HE2 LYS 27 19.844 20.497 23.771 191 HE3 LYS 27 HE3 LYS 27 18.252 21.251 23.951 192 HZ1 LYS 27 HZ1 LYS 27 17.747 20.529 21.669 193 HZ2 LYS 27 HZ2 LYS 27 19.274 19.923 21.494 194 HZ3 LYS 27 HZ3 LYS 27 18.257 19.239 22.560 195 H CYS 28 H CYS 28 24.109 24.005 24.330 196 HA CYS 28 HA CYS 28 23.914 26.859 24.816 197 HB2 CYS 28 HB2 CYS 28 26.026 25.406 24.636 198 HB3 CYS 28 HB3 CYS 28 25.786 25.498 22.892 199 H ILE 29 H ILE 29 24.034 28.455 23.176 200 HA ILE 29 HA ILE 29 21.578 28.360 21.738 201 HB ILE 29 HB ILE 29 22.334 30.273 22.991 202 HG12 ILE 29 HG12 ILE 29 21.974 31.027 20.060 203 HG13 ILE 29 HG13 ILE 29 20.682 30.543 21.167 204 HG21 ILE 29 HG21 ILE 29 24.443 30.770 20.850 205 HG22 ILE 29 HG22 ILE 29 24.095 31.787 22.259 206 HG23 ILE 29 HG23 ILE 29 24.765 30.175 22.493 207 HD11 ILE 29 HD11 ILE 29 21.310 32.470 22.674 208 HD12 ILE 29 HD12 ILE 29 22.407 33.035 21.385 209 HD13 ILE 29 HD13 ILE 29 20.665 32.929 21.084 210 HA PRO 30 HA PRO 30 23.235 27.283 17.685 211 HB2 PRO 30 HB2 PRO 30 20.976 27.189 16.216 212 HB3 PRO 30 HB3 PRO 30 21.303 26.026 17.517 213 HG2 PRO 30 HG2 PRO 30 19.630 28.549 17.678 214 HG3 PRO 30 HG3 PRO 30 19.172 26.900 18.187 215 HD2 PRO 30 HD2 PRO 30 20.159 28.750 19.939 216 HD3 PRO 30 HD3 PRO 30 20.535 27.004 20.099 217 H ARG 31 H ARG 31 24.334 29.341 17.968 218 HA ARG 31 HA ARG 31 24.011 30.768 15.496 219 HB2 ARG 31 HB2 ARG 31 23.946 32.942 16.121 220 HB3 ARG 31 HB3 ARG 31 22.762 32.204 17.212 221 HG2 ARG 31 HG2 ARG 31 24.308 32.371 19.067 222 HG3 ARG 31 HG3 ARG 31 25.641 32.915 18.058 223 HD2 ARG 31 HD2 ARG 31 23.001 34.382 18.392 224 HD3 ARG 31 HD3 ARG 31 24.484 34.777 19.271 225 HE ARG 31 HE ARG 31 25.376 34.897 16.715 226 HH11 ARG 31 HH22 ARG 31 22.431 36.412 17.990 227 HH12 ARG 31 HH21 ARG 31 22.474 37.613 16.715 228 HH21 ARG 31 HH11 ARG 31 25.392 36.556 15.307 229 HH22 ARG 31 HH12 ARG 31 23.990 37.590 15.176 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 12.152 26.117 28.951 2 H2 GLY 1 H2 GLY 1 11.583 24.660 29.446 3 H3 GLY 1 H3 GLY 1 13.040 25.199 29.981 4 HA2 GLY 1 HA2 GLY 1 10.428 26.415 30.594 5 HA3 GLY 1 HA3 GLY 1 11.379 25.403 31.708 6 H SER 2 H SER 2 12.428 26.621 33.189 7 HA SER 2 HA SER 2 13.384 29.374 32.439 8 HB2 SER 2 HB2 SER 2 13.193 29.903 34.791 9 HB3 SER 2 HB3 SER 2 11.651 29.274 34.189 10 HG SER 2 HG SER 2 12.369 28.430 36.221 11 H GLY 3 H GLY 3 14.502 26.244 33.420 12 HA2 GLY 3 HA2 GLY 3 17.278 27.053 33.209 13 HA3 GLY 3 HA3 GLY 3 16.825 26.649 34.869 14 H CYS 4 H CYS 4 18.745 25.195 33.465 15 HA CYS 4 HA CYS 4 17.388 22.547 33.338 16 HB2 CYS 4 HB2 CYS 4 18.400 23.230 31.130 17 HB3 CYS 4 HB3 CYS 4 19.986 23.067 31.881 18 H MET 5 H MET 5 20.837 23.343 33.644 19 HA MET 5 HA MET 5 20.693 23.216 36.583 20 HB2 MET 5 HB2 MET 5 22.585 21.513 34.923 21 HB3 MET 5 HB3 MET 5 22.780 21.813 36.653 22 HG2 MET 5 HG2 MET 5 20.685 20.699 37.150 23 HG3 MET 5 HG3 MET 5 20.316 20.501 35.438 24 HE1 MET 5 HE1 MET 5 22.675 17.774 34.176 25 HE2 MET 5 HE2 MET 5 21.300 18.836 33.822 26 HE3 MET 5 HE3 MET 5 22.935 19.511 34.007 27 H LYS 6 H LYS 6 21.741 24.973 37.320 28 HA LYS 6 HA LYS 6 22.614 26.852 35.449 29 HB2 LYS 6 HB2 LYS 6 21.556 27.071 37.829 30 HB3 LYS 6 HB3 LYS 6 23.231 27.133 38.389 31 HG2 LYS 6 HG2 LYS 6 23.593 29.083 36.817 32 HG3 LYS 6 HG3 LYS 6 21.905 28.953 36.326 33 HD2 LYS 6 HD2 LYS 6 22.024 30.720 37.898 34 HD3 LYS 6 HD3 LYS 6 21.225 29.382 38.725 35 HE2 LYS 6 HE2 LYS 6 23.271 28.818 39.922 36 HE3 LYS 6 HE3 LYS 6 24.218 29.940 38.937 37 HZ1 LYS 6 HZ1 LYS 6 23.757 30.956 41.029 38 HZ2 LYS 6 HZ2 LYS 6 22.901 31.744 39.879 39 HZ3 LYS 6 HZ3 LYS 6 22.124 30.694 40.899 40 H GLU 7 H GLU 7 24.687 24.647 37.275 41 HA GLU 7 HA GLU 7 27.172 26.003 36.401 42 HB2 GLU 7 HB2 GLU 7 26.592 23.327 37.729 43 HB3 GLU 7 HB3 GLU 7 28.208 23.825 37.253 44 HG2 GLU 7 HG2 GLU 7 26.464 25.449 39.158 45 HG3 GLU 7 HG3 GLU 7 27.660 24.258 39.669 46 H TYR 8 H TYR 8 25.102 23.451 35.140 47 HA TYR 8 HA TYR 8 27.007 22.229 33.361 48 HB2 TYR 8 HB2 TYR 8 24.928 21.186 34.153 49 HB3 TYR 8 HB3 TYR 8 23.973 22.415 33.346 50 HD1 TYR 8 HD1 TYR 8 26.606 19.883 32.490 51 HD2 TYR 8 HD2 TYR 8 22.987 21.897 31.330 52 HE1 TYR 8 HE1 TYR 8 26.425 18.421 30.469 53 HE2 TYR 8 HE2 TYR 8 22.805 20.440 29.341 54 HH TYR 8 HH TYR 8 23.716 18.763 28.159 55 H CYS 9 H CYS 9 24.569 24.810 32.891 56 HA CYS 9 HA CYS 9 25.346 25.335 30.153 57 HB2 CYS 9 HB2 CYS 9 23.766 26.941 32.182 58 HB3 CYS 9 HB3 CYS 9 23.956 27.397 30.490 59 H ALA 10 H ALA 10 26.207 27.008 33.240 60 HA ALA 10 HA ALA 10 27.811 29.005 32.052 61 HB1 ALA 10 HB1 ALA 10 26.926 29.129 34.335 62 HB2 ALA 10 HB2 ALA 10 27.965 27.770 34.839 63 HB3 ALA 10 HB3 ALA 10 28.682 29.318 34.349 64 H GLY 11 H GLY 11 28.732 25.684 32.955 65 HA2 GLY 11 HA2 GLY 11 31.580 26.073 32.580 66 HA3 GLY 11 HA3 GLY 11 30.722 24.539 32.704 67 H GLN 12 H GLN 12 28.995 24.616 30.520 68 HA GLN 12 HA GLN 12 30.807 23.826 28.435 69 HB2 GLN 12 HB2 GLN 12 27.798 24.234 28.466 70 HB3 GLN 12 HB3 GLN 12 28.692 23.557 27.105 71 HG2 GLN 12 HG2 GLN 12 29.458 21.661 28.476 72 HG3 GLN 12 HG3 GLN 12 28.605 22.299 29.882 73 HE21 GLN 12 HE22 GLN 12 26.183 22.659 29.569 74 HE22 GLN 12 HE21 GLN 12 25.326 21.692 28.352 75 H CYS 13 H CYS 13 28.583 26.655 28.647 76 HA CYS 13 HA CYS 13 29.738 27.730 26.098 77 HB2 CYS 13 HB2 CYS 13 26.845 27.466 26.988 78 HB3 CYS 13 HB3 CYS 13 27.350 28.360 25.548 79 H ARG 14 H ARG 14 29.360 30.025 25.733 80 HA ARG 14 HA ARG 14 28.922 31.679 28.166 81 HB2 ARG 14 HB2 ARG 14 31.435 32.051 26.560 82 HB3 ARG 14 HB3 ARG 14 30.969 32.807 28.079 83 HG2 ARG 14 HG2 ARG 14 31.262 30.643 29.267 84 HG3 ARG 14 HG3 ARG 14 31.760 29.887 27.728 85 HD2 ARG 14 HD2 ARG 14 33.560 31.619 27.525 86 HD3 ARG 14 HD3 ARG 14 33.165 32.163 29.170 87 HE ARG 14 HE ARG 14 33.565 29.479 29.525 88 HH11 ARG 14 HH11 ARG 14 35.577 32.002 28.155 89 HH12 ARG 14 HH12 ARG 14 37.049 31.075 28.323 90 HH21 ARG 14 HH21 ARG 14 35.533 28.449 29.916 91 HH22 ARG 14 HH22 ARG 14 37.014 29.217 29.373 92 H GLY 15 H GLY 15 29.188 33.944 27.765 93 HA2 GLY 15 HA2 GLY 15 28.193 35.818 26.578 94 HA3 GLY 15 HA3 GLY 15 27.483 34.667 25.430 95 H LYS 16 H LYS 16 26.499 36.571 27.777 96 HA LYS 16 HA LYS 16 25.426 34.796 29.799 97 HB2 LYS 16 HB2 LYS 16 26.120 37.305 29.920 98 HB3 LYS 16 HB3 LYS 16 24.489 37.644 29.321 99 HG2 LYS 16 HG2 LYS 16 23.522 36.478 31.285 100 HG3 LYS 16 HG3 LYS 16 25.154 35.991 31.807 101 HD2 LYS 16 HD2 LYS 16 25.749 38.444 31.956 102 HD3 LYS 16 HD3 LYS 16 24.039 38.822 31.665 103 HE2 LYS 16 HE2 LYS 16 23.453 37.468 33.708 104 HE3 LYS 16 HE3 LYS 16 25.181 37.179 33.977 105 HZ1 LYS 16 HZ1 LYS 16 23.793 39.796 34.023 106 HZ2 LYS 16 HZ2 LYS 16 24.491 39.045 35.303 107 HZ3 LYS 16 HZ3 LYS 16 25.412 39.670 34.076 108 H VAL 17 H VAL 17 24.243 35.842 26.732 109 HA VAL 17 HA VAL 17 21.484 34.925 27.222 110 HB VAL 17 HB VAL 17 22.616 35.951 24.611 111 HG11 VAL 17 HG11 VAL 17 20.226 36.464 24.160 112 HG12 VAL 17 HG12 VAL 17 20.503 34.731 24.363 113 HG13 VAL 17 HG13 VAL 17 19.776 35.676 25.689 114 HG21 VAL 17 HG21 VAL 17 22.890 37.733 26.273 115 HG22 VAL 17 HG22 VAL 17 21.517 38.113 25.235 116 HG23 VAL 17 HG23 VAL 17 21.234 37.468 26.870 117 H SER 18 H SER 18 24.483 33.793 25.641 118 HA SER 18 HA SER 18 23.379 31.373 24.511 119 HB2 SER 18 HB2 SER 18 25.752 32.175 24.113 120 HB3 SER 18 HB3 SER 18 26.142 31.667 25.750 121 HG SER 18 HG SER 18 26.334 30.231 23.722 122 H GLN 19 H GLN 19 24.902 32.010 27.696 123 HA GLN 19 HA GLN 19 24.124 29.591 28.967 124 HB2 GLN 19 HB2 GLN 19 24.660 32.400 30.000 125 HB3 GLN 19 HB3 GLN 19 24.372 31.019 31.080 126 HG2 GLN 19 HG2 GLN 19 26.269 29.811 30.273 127 HG3 GLN 19 HG3 GLN 19 26.485 30.878 28.880 128 HE21 GLN 19 HE22 GLN 19 28.660 30.351 30.242 129 HE22 GLN 19 HE21 GLN 19 29.179 31.768 31.143 130 H ASP 20 H ASP 20 22.190 32.662 28.740 131 HA ASP 20 HA ASP 20 19.967 31.718 30.238 132 HB2 ASP 20 HB2 ASP 20 20.344 34.082 29.621 133 HB3 ASP 20 HB3 ASP 20 20.034 33.657 27.905 134 H TYR 21 H TYR 21 20.658 31.364 26.725 135 HA TYR 21 HA TYR 21 18.139 30.126 26.095 136 HB2 TYR 21 HB2 TYR 21 19.698 31.215 24.466 137 HB3 TYR 21 HB3 TYR 21 20.808 29.874 24.672 138 HD1 TYR 21 HD2 TYR 21 17.495 30.896 23.315 139 HD2 TYR 21 HD1 TYR 21 20.357 27.702 23.683 140 HE1 TYR 21 HE2 TYR 21 16.257 29.592 21.595 141 HE2 TYR 21 HE1 TYR 21 19.153 26.410 21.923 142 HH TYR 21 HH TYR 21 16.060 27.552 20.559 143 H CYS 22 H CYS 22 21.269 28.839 27.211 144 HA CYS 22 HA CYS 22 20.419 26.041 27.074 145 HB2 CYS 22 HB2 CYS 22 22.735 26.620 26.922 146 HB3 CYS 22 HB3 CYS 22 22.701 27.470 28.464 147 H LEU 23 H LEU 23 20.208 28.551 29.614 148 HA LEU 23 HA LEU 23 19.000 26.803 31.550 149 HB2 LEU 23 HB2 LEU 23 19.379 29.695 31.062 150 HB3 LEU 23 HB3 LEU 23 17.915 29.321 31.970 151 HG LEU 23 HG LEU 23 19.121 28.287 33.752 152 HD11 LEU 23 HD11 LEU 23 20.883 27.031 32.631 153 HD12 LEU 23 HD12 LEU 23 21.652 28.537 32.070 154 HD13 LEU 23 HD13 LEU 23 21.610 28.129 33.794 155 HD21 LEU 23 HD21 LEU 23 19.140 30.785 33.669 156 HD22 LEU 23 HD22 LEU 23 20.526 30.112 34.535 157 HD23 LEU 23 HD23 LEU 23 20.727 30.728 32.877 158 H LYS 24 H LYS 24 17.471 28.824 28.981 159 HA LYS 24 HA LYS 24 14.814 27.876 29.550 160 HB2 LYS 24 HB2 LYS 24 16.048 29.189 27.096 161 HB3 LYS 24 HB3 LYS 24 14.314 28.801 27.246 162 HG2 LYS 24 HG2 LYS 24 14.200 30.153 29.310 163 HG3 LYS 24 HG3 LYS 24 15.895 30.613 29.100 164 HD2 LYS 24 HD2 LYS 24 15.405 31.758 27.009 165 HD3 LYS 24 HD3 LYS 24 13.748 31.118 27.004 166 HE2 LYS 24 HE2 LYS 24 13.722 33.444 27.671 167 HE3 LYS 24 HE3 LYS 24 13.172 32.421 28.995 168 HZ1 LYS 24 HZ1 LYS 24 14.790 34.235 29.570 169 HZ2 LYS 24 HZ2 LYS 24 15.233 32.746 30.119 170 HZ3 LYS 24 HZ3 LYS 24 15.961 33.404 28.813 171 H HIS 25 H HIS 25 17.234 26.522 27.380 172 HA HIS 25 HA HIS 25 15.289 24.394 26.551 173 HB2 HIS 25 HB2 HIS 25 17.353 25.871 24.876 174 HB3 HIS 25 HB3 HIS 25 16.295 24.597 24.304 175 HD2 HIS 25 HD2 HIS 25 16.327 28.316 25.037 176 HE1 HIS 25 HE1 HIS 25 12.373 27.428 23.732 177 HE2 HIS 25 HE2 HIS 25 14.000 29.314 24.300 178 H CYS 26 H CYS 26 18.073 24.525 28.324 179 HA CYS 26 HA CYS 26 19.754 23.188 28.815 180 HB2 CYS 26 HB2 CYS 26 17.665 21.758 29.226 181 HB3 CYS 26 HB3 CYS 26 18.259 20.776 27.880 182 H LYS 27 H LYS 27 19.535 23.988 25.855 183 HA LYS 27 HA LYS 27 22.036 22.656 25.003 184 HB2 LYS 27 HB2 LYS 27 21.261 22.592 22.690 185 HB3 LYS 27 HB3 LYS 27 20.255 21.612 23.731 186 HG2 LYS 27 HG2 LYS 27 18.636 23.690 23.802 187 HG3 LYS 27 HG3 LYS 27 19.655 24.341 22.524 188 HD2 LYS 27 HD2 LYS 27 17.794 23.395 21.437 189 HD3 LYS 27 HD3 LYS 27 19.134 22.298 21.150 190 HE2 LYS 27 HE2 LYS 27 17.252 20.936 21.607 191 HE3 LYS 27 HE3 LYS 27 18.254 20.847 23.053 192 HZ1 LYS 27 HZ1 LYS 27 16.732 22.364 24.149 193 HZ2 LYS 27 HZ2 LYS 27 15.868 22.641 22.775 194 HZ3 LYS 27 HZ3 LYS 27 15.856 21.178 23.512 195 H CYS 28 H CYS 28 23.369 23.976 23.757 196 HA CYS 28 HA CYS 28 23.163 26.786 24.582 197 HB2 CYS 28 HB2 CYS 28 25.292 25.446 22.892 198 HB3 CYS 28 HB3 CYS 28 25.357 27.077 23.576 199 H ILE 29 H ILE 29 23.447 28.631 23.155 200 HA ILE 29 HA ILE 29 21.217 28.831 21.527 201 HB ILE 29 HB ILE 29 22.294 30.563 22.860 202 HG12 ILE 29 HG12 ILE 29 21.859 31.595 20.053 203 HG13 ILE 29 HG13 ILE 29 20.556 31.125 21.169 204 HG21 ILE 29 HG21 ILE 29 24.197 31.830 22.119 205 HG22 ILE 29 HG22 ILE 29 24.632 30.124 22.051 206 HG23 ILE 29 HG23 ILE 29 24.227 30.989 20.553 207 HD11 ILE 29 HD11 ILE 29 21.348 32.804 22.811 208 HD12 ILE 29 HD12 ILE 29 22.586 33.348 21.649 209 HD13 ILE 29 HD13 ILE 29 20.872 33.523 21.258 210 HA PRO 30 HA PRO 30 21.782 26.880 17.987 211 HB2 PRO 30 HB2 PRO 30 20.746 29.177 16.317 212 HB3 PRO 30 HB3 PRO 30 20.264 27.453 16.274 213 HG2 PRO 30 HG2 PRO 30 18.743 29.211 17.633 214 HG3 PRO 30 HG3 PRO 30 19.158 27.643 18.398 215 HD2 PRO 30 HD2 PRO 30 20.434 30.335 18.828 216 HD3 PRO 30 HD3 PRO 30 19.921 29.115 20.031 217 H ARG 31 H ARG 31 22.895 26.271 16.207 218 HA ARG 31 HA ARG 31 24.989 28.020 15.055 219 HB2 ARG 31 HB2 ARG 31 26.720 26.366 15.369 220 HB3 ARG 31 HB3 ARG 31 26.062 26.881 16.916 221 HG2 ARG 31 HG2 ARG 31 24.783 24.789 17.121 222 HG3 ARG 31 HG3 ARG 31 25.319 24.269 15.507 223 HD2 ARG 31 HD2 ARG 31 27.648 24.246 16.237 224 HD3 ARG 31 HD3 ARG 31 27.192 24.860 17.838 225 HE ARG 31 HE ARG 31 25.719 22.597 17.764 226 HH11 ARG 31 HH11 ARG 31 29.179 22.950 17.012 227 HH12 ARG 31 HH12 ARG 31 29.436 21.300 17.541 228 HH21 ARG 31 HH21 ARG 31 26.249 20.598 18.343 229 HH22 ARG 31 HH22 ARG 31 27.940 20.080 18.287 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 15.182 21.905 39.023 2 H2 GLY 1 H2 GLY 1 16.093 23.233 39.370 3 H3 GLY 1 H3 GLY 1 16.184 22.515 37.888 4 HA2 GLY 1 HA2 GLY 1 13.964 23.147 37.329 5 HA3 GLY 1 HA3 GLY 1 13.753 23.793 38.972 6 H SER 2 H SER 2 13.149 25.752 37.488 7 HA SER 2 HA SER 2 13.636 27.795 36.622 8 HB2 SER 2 HB2 SER 2 15.920 27.695 38.605 9 HB3 SER 2 HB3 SER 2 15.112 29.146 37.977 10 HG SER 2 HG SER 2 13.269 28.599 39.040 11 H GLY 3 H GLY 3 14.584 25.895 34.905 12 HA2 GLY 3 HA2 GLY 3 15.934 26.091 32.900 13 HA3 GLY 3 HA3 GLY 3 17.240 26.805 33.855 14 H CYS 4 H CYS 4 18.269 24.888 32.526 15 HA CYS 4 HA CYS 4 17.643 22.232 33.342 16 HB2 CYS 4 HB2 CYS 4 18.623 23.081 31.159 17 HB3 CYS 4 HB3 CYS 4 20.190 23.123 31.945 18 H MET 5 H MET 5 20.905 23.577 33.677 19 HA MET 5 HA MET 5 20.907 23.592 36.561 20 HB2 MET 5 HB2 MET 5 22.659 21.613 35.058 21 HB3 MET 5 HB3 MET 5 23.152 22.322 36.599 22 HG2 MET 5 HG2 MET 5 20.949 21.444 37.552 23 HG3 MET 5 HG3 MET 5 20.758 20.559 36.030 24 HE1 MET 5 HE1 MET 5 23.847 21.235 38.500 25 HE2 MET 5 HE2 MET 5 22.463 20.724 39.497 26 HE3 MET 5 HE3 MET 5 23.879 19.661 39.323 27 H LYS 6 H LYS 6 22.143 25.329 37.150 28 HA LYS 6 HA LYS 6 23.042 27.160 35.068 29 HB2 LYS 6 HB2 LYS 6 23.151 27.213 38.110 30 HB3 LYS 6 HB3 LYS 6 23.706 28.547 37.095 31 HG2 LYS 6 HG2 LYS 6 21.527 28.907 36.159 32 HG3 LYS 6 HG3 LYS 6 20.870 27.451 36.905 33 HD2 LYS 6 HD2 LYS 6 21.952 29.811 38.491 34 HD3 LYS 6 HD3 LYS 6 20.263 29.661 38.032 35 HE2 LYS 6 HE2 LYS 6 21.742 27.539 39.646 36 HE3 LYS 6 HE3 LYS 6 20.895 28.896 40.393 37 HZ1 LYS 6 HZ1 LYS 6 19.581 26.900 38.629 38 HZ2 LYS 6 HZ2 LYS 6 19.484 26.938 40.276 39 HZ3 LYS 6 HZ3 LYS 6 18.857 28.157 39.374 40 H GLU 7 H GLU 7 24.719 25.093 37.407 41 HA GLU 7 HA GLU 7 27.405 26.072 36.801 42 HB2 GLU 7 HB2 GLU 7 26.275 23.606 38.165 43 HB3 GLU 7 HB3 GLU 7 27.982 23.708 37.771 44 HG2 GLU 7 HG2 GLU 7 27.691 24.401 40.051 45 HG3 GLU 7 HG3 GLU 7 28.244 25.758 39.093 46 H TYR 8 H TYR 8 25.597 23.165 35.752 47 HA TYR 8 HA TYR 8 27.350 22.172 33.823 48 HB2 TYR 8 HB2 TYR 8 25.315 21.025 34.569 49 HB3 TYR 8 HB3 TYR 8 24.323 22.303 33.875 50 HD1 TYR 8 HD1 TYR 8 26.879 19.760 32.899 51 HD2 TYR 8 HD2 TYR 8 23.447 22.081 31.718 52 HE1 TYR 8 HE1 TYR 8 26.811 18.552 30.701 53 HE2 TYR 8 HE2 TYR 8 23.355 20.853 29.552 54 HH TYR 8 HH TYR 8 24.261 19.224 28.279 55 H CYS 9 H CYS 9 24.652 24.527 33.255 56 HA CYS 9 HA CYS 9 25.231 24.976 30.528 57 HB2 CYS 9 HB2 CYS 9 23.747 26.550 32.641 58 HB3 CYS 9 HB3 CYS 9 23.959 27.193 31.021 59 H ALA 10 H ALA 10 26.702 26.613 33.383 60 HA ALA 10 HA ALA 10 28.050 28.601 31.796 61 HB1 ALA 10 HB1 ALA 10 29.384 28.942 33.838 62 HB2 ALA 10 HB2 ALA 10 27.655 28.817 34.216 63 HB3 ALA 10 HB3 ALA 10 28.736 27.441 34.532 64 H GLY 11 H GLY 11 28.902 25.241 32.605 65 HA2 GLY 11 HA2 GLY 11 31.614 25.421 31.489 66 HA3 GLY 11 HA3 GLY 11 30.760 23.966 32.005 67 H GLN 12 H GLN 12 28.414 24.573 30.240 68 HA GLN 12 HA GLN 12 29.483 23.523 27.695 69 HB2 GLN 12 HB2 GLN 12 26.656 24.284 28.541 70 HB3 GLN 12 HB3 GLN 12 27.096 23.530 27.010 71 HG2 GLN 12 HG2 GLN 12 27.350 22.289 29.773 72 HG3 GLN 12 HG3 GLN 12 26.183 21.882 28.526 73 HE21 GLN 12 HE22 GLN 12 29.022 20.833 29.920 74 HE22 GLN 12 HE21 GLN 12 29.575 19.830 28.577 75 H CYS 13 H CYS 13 27.884 26.535 28.816 76 HA CYS 13 HA CYS 13 28.207 27.728 26.107 77 HB2 CYS 13 HB2 CYS 13 25.887 28.031 28.034 78 HB3 CYS 13 HB3 CYS 13 25.957 28.540 26.360 79 H ARG 14 H ARG 14 28.490 29.963 25.952 80 HA ARG 14 HA ARG 14 29.173 31.409 28.488 81 HB2 ARG 14 HB2 ARG 14 30.861 31.434 25.997 82 HB3 ARG 14 HB3 ARG 14 31.253 32.123 27.563 83 HG2 ARG 14 HG2 ARG 14 31.097 29.140 26.903 84 HG3 ARG 14 HG3 ARG 14 32.569 30.069 27.036 85 HD2 ARG 14 HD2 ARG 14 30.639 29.568 29.332 86 HD3 ARG 14 HD3 ARG 14 32.126 28.673 29.023 87 HE ARG 14 HE ARG 14 32.808 31.422 29.177 88 HH11 ARG 14 HH11 ARG 14 31.545 28.994 31.395 89 HH12 ARG 14 HH12 ARG 14 32.320 29.753 32.767 90 HH21 ARG 14 HH21 ARG 14 33.585 32.367 30.882 91 HH22 ARG 14 HH22 ARG 14 33.190 31.804 32.509 92 H GLY 15 H GLY 15 29.357 33.608 28.403 93 HA2 GLY 15 HA2 GLY 15 28.495 35.709 27.895 94 HA3 GLY 15 HA3 GLY 15 27.944 35.154 26.313 95 H LYS 16 H LYS 16 26.487 36.685 28.214 96 HA LYS 16 HA LYS 16 24.730 35.281 29.954 97 HB2 LYS 16 HB2 LYS 16 25.198 37.696 30.042 98 HB3 LYS 16 HB3 LYS 16 24.447 37.931 28.467 99 HG2 LYS 16 HG2 LYS 16 23.004 38.684 30.244 100 HG3 LYS 16 HG3 LYS 16 22.247 37.342 29.387 101 HD2 LYS 16 HD2 LYS 16 22.736 35.811 31.232 102 HD3 LYS 16 HD3 LYS 16 23.751 37.045 32.022 103 HE2 LYS 16 HE2 LYS 16 21.767 38.542 32.177 104 HE3 LYS 16 HE3 LYS 16 20.749 37.268 31.495 105 HZ1 LYS 16 HZ1 LYS 16 22.340 36.855 33.959 106 HZ2 LYS 16 HZ2 LYS 16 20.825 37.517 33.984 107 HZ3 LYS 16 HZ3 LYS 16 21.031 35.982 33.443 108 H VAL 17 H VAL 17 24.353 36.042 26.473 109 HA VAL 17 HA VAL 17 21.576 35.196 26.518 110 HB VAL 17 HB VAL 17 22.500 36.962 25.039 111 HG11 VAL 17 HG11 VAL 17 23.370 34.664 23.230 112 HG12 VAL 17 HG12 VAL 17 23.389 36.395 22.859 113 HG13 VAL 17 HG13 VAL 17 24.467 35.758 24.102 114 HG21 VAL 17 HG21 VAL 17 20.917 34.776 23.672 115 HG22 VAL 17 HG22 VAL 17 20.251 35.993 24.784 116 HG23 VAL 17 HG23 VAL 17 20.952 36.495 23.233 117 H SER 18 H SER 18 24.580 33.550 25.535 118 HA SER 18 HA SER 18 23.206 31.167 24.582 119 HB2 SER 18 HB2 SER 18 25.583 31.862 24.006 120 HB3 SER 18 HB3 SER 18 26.033 31.325 25.639 121 HG SER 18 HG SER 18 26.360 29.684 24.212 122 H GLN 19 H GLN 19 24.822 32.036 27.735 123 HA GLN 19 HA GLN 19 23.899 29.720 29.129 124 HB2 GLN 19 HB2 GLN 19 24.480 32.551 30.070 125 HB3 GLN 19 HB3 GLN 19 24.077 31.216 31.172 126 HG2 GLN 19 HG2 GLN 19 25.955 29.884 30.363 127 HG3 GLN 19 HG3 GLN 19 26.346 31.087 29.137 128 HE21 GLN 19 HE22 GLN 19 28.425 30.490 30.401 129 HE22 GLN 19 HE21 GLN 19 28.856 31.744 31.586 130 H ASP 20 H ASP 20 22.087 32.814 28.616 131 HA ASP 20 HA ASP 20 19.747 32.072 30.049 132 HB2 ASP 20 HB2 ASP 20 20.061 34.331 29.472 133 HB3 ASP 20 HB3 ASP 20 20.302 33.967 27.761 134 H TYR 21 H TYR 21 20.573 31.533 26.579 135 HA TYR 21 HA TYR 21 18.191 30.118 25.899 136 HB2 TYR 21 HB2 TYR 21 20.111 30.967 24.411 137 HB3 TYR 21 HB3 TYR 21 20.952 29.482 24.811 138 HD1 TYR 21 HD2 TYR 21 19.954 27.239 23.977 139 HD2 TYR 21 HD1 TYR 21 18.253 31.080 22.968 140 HE1 TYR 21 HE2 TYR 21 18.596 26.186 22.181 141 HE2 TYR 21 HE1 TYR 21 16.934 30.017 21.158 142 HH TYR 21 HH TYR 21 16.609 28.124 19.940 143 H CYS 22 H CYS 22 21.278 28.895 27.275 144 HA CYS 22 HA CYS 22 20.490 26.125 27.327 145 HB2 CYS 22 HB2 CYS 22 22.801 27.001 27.412 146 HB3 CYS 22 HB3 CYS 22 22.523 27.600 29.044 147 H LEU 23 H LEU 23 19.810 28.774 29.509 148 HA LEU 23 HA LEU 23 18.587 27.108 31.565 149 HB2 LEU 23 HB2 LEU 23 19.231 29.949 31.000 150 HB3 LEU 23 HB3 LEU 23 17.749 29.710 31.909 151 HG LEU 23 HG LEU 23 18.889 28.560 33.691 152 HD11 LEU 23 HD11 LEU 23 21.352 28.266 33.751 153 HD12 LEU 23 HD12 LEU 23 20.612 27.268 32.496 154 HD13 LEU 23 HD13 LEU 23 21.451 28.767 32.054 155 HD21 LEU 23 HD21 LEU 23 18.964 31.048 33.631 156 HD22 LEU 23 HD22 LEU 23 20.354 30.351 34.487 157 HD23 LEU 23 HD23 LEU 23 20.538 30.968 32.825 158 H LYS 24 H LYS 24 17.448 27.889 28.503 159 HA LYS 24 HA LYS 24 14.620 27.276 29.370 160 HB2 LYS 24 HB2 LYS 24 15.686 29.018 27.111 161 HB3 LYS 24 HB3 LYS 24 14.005 28.449 27.171 162 HG2 LYS 24 HG2 LYS 24 13.668 29.509 29.326 163 HG3 LYS 24 HG3 LYS 24 15.356 30.016 29.393 164 HD2 LYS 24 HD2 LYS 24 13.458 30.956 27.208 165 HD3 LYS 24 HD3 LYS 24 13.701 31.800 28.751 166 HE2 LYS 24 HE2 LYS 24 16.177 31.832 28.284 167 HE3 LYS 24 HE3 LYS 24 15.851 31.213 26.665 168 HZ1 LYS 24 HZ1 LYS 24 14.700 33.195 26.135 169 HZ2 LYS 24 HZ2 LYS 24 14.678 33.731 27.699 170 HZ3 LYS 24 HZ3 LYS 24 16.103 33.639 26.871 171 H HIS 25 H HIS 25 17.249 26.313 27.451 172 HA HIS 25 HA HIS 25 15.665 24.140 26.098 173 HB2 HIS 25 HB2 HIS 25 17.765 25.928 24.835 174 HB3 HIS 25 HB3 HIS 25 16.905 24.621 24.037 175 HD2 HIS 25 HD2 HIS 25 16.435 28.258 25.169 176 HE1 HIS 25 HE1 HIS 25 13.091 27.277 22.726 177 HE2 HIS 25 HE2 HIS 25 14.328 29.175 23.882 178 H CYS 26 H CYS 26 18.123 24.463 28.282 179 HA CYS 26 HA CYS 26 20.070 23.452 28.751 180 HB2 CYS 26 HB2 CYS 26 18.142 21.874 29.271 181 HB3 CYS 26 HB3 CYS 26 18.730 20.899 27.924 182 H LYS 27 H LYS 27 20.319 24.450 26.092 183 HA LYS 27 HA LYS 27 22.797 23.040 25.387 184 HB2 LYS 27 HB2 LYS 27 22.222 22.976 22.981 185 HB3 LYS 27 HB3 LYS 27 21.187 21.932 23.948 186 HG2 LYS 27 HG2 LYS 27 19.439 23.832 23.905 187 HG3 LYS 27 HG3 LYS 27 20.506 24.680 22.802 188 HD2 LYS 27 HD2 LYS 27 18.715 23.547 21.635 189 HD3 LYS 27 HD3 LYS 27 20.299 22.940 21.160 190 HE2 LYS 27 HE2 LYS 27 18.811 21.064 21.284 191 HE3 LYS 27 HE3 LYS 27 19.966 20.930 22.609 192 HZ1 LYS 27 HZ1 LYS 27 17.191 21.958 22.846 193 HZ2 LYS 27 HZ2 LYS 27 17.671 20.482 23.339 194 HZ3 LYS 27 HZ3 LYS 27 18.213 21.825 24.103 195 H CYS 28 H CYS 28 24.099 24.362 23.844 196 HA CYS 28 HA CYS 28 23.892 27.192 24.555 197 HB2 CYS 28 HB2 CYS 28 25.794 25.914 22.581 198 HB3 CYS 28 HB3 CYS 28 25.956 27.470 23.387 199 H ILE 29 H ILE 29 23.624 28.960 23.189 200 HA ILE 29 HA ILE 29 21.289 28.735 21.714 201 HB ILE 29 HB ILE 29 21.994 30.686 22.916 202 HG12 ILE 29 HG12 ILE 29 21.469 31.476 20.040 203 HG13 ILE 29 HG13 ILE 29 20.255 30.769 21.110 204 HG21 ILE 29 HG21 ILE 29 23.834 31.440 20.618 205 HG22 ILE 29 HG22 ILE 29 23.611 32.279 22.168 206 HG23 ILE 29 HG23 ILE 29 24.408 30.706 22.121 207 HD11 ILE 29 HD11 ILE 29 19.976 33.152 21.139 208 HD12 ILE 29 HD12 ILE 29 20.594 32.635 22.721 209 HD13 ILE 29 HD13 ILE 29 21.682 33.414 21.543 210 HA PRO 30 HA PRO 30 22.544 27.510 17.651 211 HB2 PRO 30 HB2 PRO 30 20.087 29.033 16.779 212 HB3 PRO 30 HB3 PRO 30 20.655 27.421 16.248 213 HG2 PRO 30 HG2 PRO 30 18.699 27.599 18.096 214 HG3 PRO 30 HG3 PRO 30 20.053 26.455 18.381 215 HD2 PRO 30 HD2 PRO 30 19.690 29.250 19.494 216 HD3 PRO 30 HD3 PRO 30 20.165 27.738 20.330 217 H ARG 31 H ARG 31 23.397 28.222 15.688 218 HA ARG 31 HA ARG 31 23.432 31.100 14.999 219 HB2 ARG 31 HB2 ARG 31 25.799 31.184 14.679 220 HB3 ARG 31 HB3 ARG 31 25.432 30.749 16.345 221 HG2 ARG 31 HG2 ARG 31 25.875 28.325 15.737 222 HG3 ARG 31 HG3 ARG 31 26.430 28.874 14.148 223 HD2 ARG 31 HD2 ARG 31 27.571 29.733 16.842 224 HD3 ARG 31 HD3 ARG 31 28.258 28.483 15.786 225 HE ARG 31 HE ARG 31 27.937 31.089 14.479 226 HH11 ARG 31 HH11 ARG 31 30.123 29.418 16.657 227 HH12 ARG 31 HH12 ARG 31 31.509 30.296 16.039 228 HH21 ARG 31 HH21 ARG 31 29.600 32.201 13.892 229 HH22 ARG 31 HH22 ARG 31 31.174 31.997 14.658 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 18.637 23.144 37.766 2 H2 GLY 1 H2 GLY 1 17.103 23.547 38.157 3 H3 GLY 1 H3 GLY 1 18.095 22.890 39.300 4 HA2 GLY 1 HA2 GLY 1 17.864 25.257 39.676 5 HA3 GLY 1 HA3 GLY 1 19.530 24.818 39.238 6 H SER 2 H SER 2 16.479 26.126 37.997 7 HA SER 2 HA SER 2 15.852 27.244 36.243 8 HB2 SER 2 HB2 SER 2 17.210 29.064 35.319 9 HB3 SER 2 HB3 SER 2 17.048 29.071 37.076 10 HG SER 2 HG SER 2 19.213 27.651 36.408 11 H GLY 3 H GLY 3 15.218 26.255 34.504 12 HA2 GLY 3 HA2 GLY 3 15.255 25.324 32.377 13 HA3 GLY 3 HA3 GLY 3 16.959 25.810 32.242 14 H CYS 4 H CYS 4 18.506 24.472 33.323 15 HA CYS 4 HA CYS 4 17.739 21.717 34.047 16 HB2 CYS 4 HB2 CYS 4 19.536 22.450 31.782 17 HB3 CYS 4 HB3 CYS 4 20.138 21.215 32.870 18 H MET 5 H MET 5 20.993 23.296 33.862 19 HA MET 5 HA MET 5 20.909 23.873 36.732 20 HB2 MET 5 HB2 MET 5 22.908 21.898 35.567 21 HB3 MET 5 HB3 MET 5 23.115 22.727 37.110 22 HG2 MET 5 HG2 MET 5 21.013 21.666 37.931 23 HG3 MET 5 HG3 MET 5 20.869 20.816 36.385 24 HE1 MET 5 HE1 MET 5 22.644 21.050 39.813 25 HE2 MET 5 HE2 MET 5 24.004 19.918 39.654 26 HE3 MET 5 HE3 MET 5 24.040 21.469 38.792 27 H LYS 6 H LYS 6 22.112 25.586 37.241 28 HA LYS 6 HA LYS 6 23.120 27.401 35.285 29 HB2 LYS 6 HB2 LYS 6 23.856 27.209 38.239 30 HB3 LYS 6 HB3 LYS 6 24.064 28.621 37.197 31 HG2 LYS 6 HG2 LYS 6 21.544 28.626 36.874 32 HG3 LYS 6 HG3 LYS 6 21.441 27.394 38.144 33 HD2 LYS 6 HD2 LYS 6 22.574 30.199 38.419 34 HD3 LYS 6 HD3 LYS 6 21.017 29.639 39.036 35 HE2 LYS 6 HE2 LYS 6 22.087 28.142 40.624 36 HE3 LYS 6 HE3 LYS 6 23.687 28.481 39.946 37 HZ1 LYS 6 HZ1 LYS 6 23.454 30.777 40.618 38 HZ2 LYS 6 HZ2 LYS 6 21.959 30.511 41.266 39 HZ3 LYS 6 HZ3 LYS 6 23.266 29.824 41.950 40 H GLU 7 H GLU 7 24.858 25.122 37.390 41 HA GLU 7 HA GLU 7 27.508 25.934 36.606 42 HB2 GLU 7 HB2 GLU 7 26.537 23.307 37.817 43 HB3 GLU 7 HB3 GLU 7 28.206 23.832 37.698 44 HG2 GLU 7 HG2 GLU 7 27.529 24.285 39.934 45 HG3 GLU 7 HG3 GLU 7 27.686 25.836 39.111 46 H TYR 8 H TYR 8 25.409 23.280 35.515 47 HA TYR 8 HA TYR 8 27.185 22.055 33.655 48 HB2 TYR 8 HB2 TYR 8 25.150 20.981 34.490 49 HB3 TYR 8 HB3 TYR 8 24.159 22.243 33.785 50 HD1 TYR 8 HD1 TYR 8 26.628 19.598 32.828 51 HD2 TYR 8 HD2 TYR 8 23.178 21.926 31.689 52 HE1 TYR 8 HE1 TYR 8 26.399 18.232 30.740 53 HE2 TYR 8 HE2 TYR 8 22.916 20.531 29.623 54 HH TYR 8 HH TYR 8 25.266 18.003 28.719 55 H CYS 9 H CYS 9 24.587 24.517 33.155 56 HA CYS 9 HA CYS 9 25.077 24.933 30.387 57 HB2 CYS 9 HB2 CYS 9 23.716 26.521 32.575 58 HB3 CYS 9 HB3 CYS 9 23.842 27.143 30.939 59 H ALA 10 H ALA 10 26.566 26.532 33.237 60 HA ALA 10 HA ALA 10 28.006 28.487 31.728 61 HB1 ALA 10 HB1 ALA 10 28.409 27.287 34.498 62 HB2 ALA 10 HB2 ALA 10 29.290 28.698 33.885 63 HB3 ALA 10 HB3 ALA 10 27.529 28.775 34.079 64 H GLY 11 H GLY 11 28.657 25.086 32.212 65 HA2 GLY 11 HA2 GLY 11 31.430 25.221 31.165 66 HA3 GLY 11 HA3 GLY 11 30.503 23.780 31.586 67 H GLN 12 H GLN 12 28.148 24.361 30.024 68 HA GLN 12 HA GLN 12 28.944 23.467 27.397 69 HB2 GLN 12 HB2 GLN 12 26.327 24.499 28.553 70 HB3 GLN 12 HB3 GLN 12 26.463 23.899 26.909 71 HG2 GLN 12 HG2 GLN 12 27.302 22.139 29.239 72 HG3 GLN 12 HG3 GLN 12 25.612 22.319 28.784 73 HE21 GLN 12 HE22 GLN 12 25.060 20.394 27.706 74 HE22 GLN 12 HE21 GLN 12 25.972 19.788 26.339 75 H CYS 13 H CYS 13 28.017 26.688 28.650 76 HA CYS 13 HA CYS 13 28.442 27.916 25.962 77 HB2 CYS 13 HB2 CYS 13 26.023 26.939 26.920 78 HB3 CYS 13 HB3 CYS 13 25.962 28.599 27.460 79 H ARG 14 H ARG 14 28.750 30.198 25.933 80 HA ARG 14 HA ARG 14 28.782 31.655 28.537 81 HB2 ARG 14 HB2 ARG 14 31.018 32.519 28.093 82 HB3 ARG 14 HB3 ARG 14 30.975 30.785 28.421 83 HG2 ARG 14 HG2 ARG 14 31.302 30.253 26.055 84 HG3 ARG 14 HG3 ARG 14 31.091 31.948 25.603 85 HD2 ARG 14 HD2 ARG 14 33.392 31.586 25.458 86 HD3 ARG 14 HD3 ARG 14 33.157 32.493 26.939 87 HE ARG 14 HE ARG 14 33.833 30.623 28.230 88 HH11 ARG 14 HH11 ARG 14 33.418 29.425 24.939 89 HH12 ARG 14 HH12 ARG 14 34.740 28.294 25.120 90 HH21 ARG 14 HH21 ARG 14 35.542 29.273 28.311 91 HH22 ARG 14 HH22 ARG 14 35.782 28.066 27.055 92 H GLY 15 H GLY 15 28.897 33.842 28.514 93 HA2 GLY 15 HA2 GLY 15 28.238 35.986 27.598 94 HA3 GLY 15 HA3 GLY 15 27.652 35.183 26.137 95 H LYS 16 H LYS 16 26.168 36.927 28.091 96 HA LYS 16 HA LYS 16 24.701 35.324 29.982 97 HB2 LYS 16 HB2 LYS 16 24.061 38.057 28.780 98 HB3 LYS 16 HB3 LYS 16 23.241 37.349 30.158 99 HG2 LYS 16 HG2 LYS 16 26.152 38.212 30.029 100 HG3 LYS 16 HG3 LYS 16 24.847 39.001 30.904 101 HD2 LYS 16 HD2 LYS 16 26.036 36.267 31.520 102 HD3 LYS 16 HD3 LYS 16 26.318 37.763 32.392 103 HE2 LYS 16 HE2 LYS 16 23.832 37.858 32.909 104 HE3 LYS 16 HE3 LYS 16 23.691 36.237 32.214 105 HZ1 LYS 16 HZ1 LYS 16 23.987 36.024 34.561 106 HZ2 LYS 16 HZ2 LYS 16 25.406 35.535 33.864 107 HZ3 LYS 16 HZ3 LYS 16 25.329 37.010 34.561 108 H VAL 17 H VAL 17 23.996 36.209 26.635 109 HA VAL 17 HA VAL 17 21.246 35.180 26.753 110 HB VAL 17 HB VAL 17 22.832 35.887 24.274 111 HG11 VAL 17 HG11 VAL 17 20.761 34.623 23.820 112 HG12 VAL 17 HG12 VAL 17 19.839 35.766 24.825 113 HG13 VAL 17 HG13 VAL 17 20.591 36.304 23.310 114 HG21 VAL 17 HG21 VAL 17 22.857 37.845 25.710 115 HG22 VAL 17 HG22 VAL 17 21.715 38.095 24.388 116 HG23 VAL 17 HG23 VAL 17 21.116 37.674 26.009 117 H SER 18 H SER 18 24.456 33.999 25.602 118 HA SER 18 HA SER 18 23.588 31.555 24.498 119 HB2 SER 18 HB2 SER 18 26.142 31.931 26.072 120 HB3 SER 18 HB3 SER 18 25.860 30.966 24.631 121 HG SER 18 HG SER 18 27.044 33.019 24.499 122 H GLN 19 H GLN 19 24.729 32.293 27.881 123 HA GLN 19 HA GLN 19 23.862 29.771 28.943 124 HB2 GLN 19 HB2 GLN 19 24.405 32.487 30.175 125 HB3 GLN 19 HB3 GLN 19 23.923 31.074 31.148 126 HG2 GLN 19 HG2 GLN 19 25.807 29.773 30.332 127 HG3 GLN 19 HG3 GLN 19 26.265 31.041 29.196 128 HE21 GLN 19 HE22 GLN 19 28.289 30.415 30.412 129 HE22 GLN 19 HE21 GLN 19 28.695 31.501 31.738 130 H ASP 20 H ASP 20 21.974 32.854 28.613 131 HA ASP 20 HA ASP 20 19.662 31.923 29.974 132 HB2 ASP 20 HB2 ASP 20 20.020 34.268 29.274 133 HB3 ASP 20 HB3 ASP 20 19.767 33.797 27.586 134 H TYR 21 H TYR 21 20.624 31.493 26.520 135 HA TYR 21 HA TYR 21 18.342 30.037 25.677 136 HB2 TYR 21 HB2 TYR 21 20.335 30.964 24.332 137 HB3 TYR 21 HB3 TYR 21 21.181 29.492 24.760 138 HD1 TYR 21 HD1 TYR 21 20.219 27.241 23.927 139 HD2 TYR 21 HD2 TYR 21 18.707 31.070 22.630 140 HE1 TYR 21 HE1 TYR 21 19.014 26.130 22.051 141 HE2 TYR 21 HE2 TYR 21 17.539 29.958 20.723 142 HH TYR 21 HH TYR 21 17.498 26.407 20.319 143 H CYS 22 H CYS 22 21.249 28.859 27.422 144 HA CYS 22 HA CYS 22 20.361 26.065 27.352 145 HB2 CYS 22 HB2 CYS 22 22.721 26.809 27.440 146 HB3 CYS 22 HB3 CYS 22 22.458 27.448 29.062 147 H LEU 23 H LEU 23 19.946 28.761 29.596 148 HA LEU 23 HA LEU 23 18.473 27.220 31.566 149 HB2 LEU 23 HB2 LEU 23 19.266 30.040 31.029 150 HB3 LEU 23 HB3 LEU 23 17.768 29.834 31.900 151 HG LEU 23 HG LEU 23 18.869 28.493 33.613 152 HD11 LEU 23 HD11 LEU 23 21.466 28.961 32.083 153 HD12 LEU 23 HD12 LEU 23 21.337 28.294 33.724 154 HD13 LEU 23 HD13 LEU 23 20.675 27.390 32.365 155 HD21 LEU 23 HD21 LEU 23 20.343 31.060 32.975 156 HD22 LEU 23 HD22 LEU 23 18.793 30.903 33.844 157 HD23 LEU 23 HD23 LEU 23 20.280 30.260 34.568 158 H LYS 24 H LYS 24 17.561 28.565 28.489 159 HA LYS 24 HA LYS 24 14.665 28.081 28.974 160 HB2 LYS 24 HB2 LYS 24 16.224 28.902 26.494 161 HB3 LYS 24 HB3 LYS 24 14.482 28.691 26.552 162 HG2 LYS 24 HG2 LYS 24 16.064 30.770 28.108 163 HG3 LYS 24 HG3 LYS 24 15.133 31.041 26.649 164 HD2 LYS 24 HD2 LYS 24 13.088 30.243 27.970 165 HD3 LYS 24 HD3 LYS 24 14.109 30.314 29.419 166 HE2 LYS 24 HE2 LYS 24 13.479 32.623 27.529 167 HE3 LYS 24 HE3 LYS 24 12.753 32.355 29.117 168 HZ1 LYS 24 HZ1 LYS 24 14.504 33.959 29.247 169 HZ2 LYS 24 HZ2 LYS 24 14.968 32.636 30.105 170 HZ3 LYS 24 HZ3 LYS 24 15.638 32.957 28.635 171 H HIS 25 H HIS 25 17.383 26.436 27.467 172 HA HIS 25 HA HIS 25 15.538 24.252 26.521 173 HB2 HIS 25 HB2 HIS 25 17.811 25.578 25.011 174 HB3 HIS 25 HB3 HIS 25 16.842 24.235 24.430 175 HD2 HIS 25 HD2 HIS 25 16.973 27.906 24.297 176 HE1 HIS 25 HE1 HIS 25 13.084 26.870 22.905 177 HE2 HIS 25 HE2 HIS 25 14.801 28.736 23.048 178 H CYS 26 H CYS 26 18.160 24.378 28.646 179 HA CYS 26 HA CYS 26 19.692 22.914 29.315 180 HB2 CYS 26 HB2 CYS 26 17.903 20.855 28.004 181 HB3 CYS 26 HB3 CYS 26 19.177 20.517 29.164 182 H LYS 27 H LYS 27 19.989 23.997 26.494 183 HA LYS 27 HA LYS 27 22.408 22.466 25.744 184 HB2 LYS 27 HB2 LYS 27 21.749 22.341 23.391 185 HB3 LYS 27 HB3 LYS 27 20.611 21.485 24.415 186 HG2 LYS 27 HG2 LYS 27 19.217 23.722 24.342 187 HG3 LYS 27 HG3 LYS 27 20.287 24.180 23.028 188 HD2 LYS 27 HD2 LYS 27 18.192 23.315 22.206 189 HD3 LYS 27 HD3 LYS 27 19.506 22.233 21.710 190 HE2 LYS 27 HE2 LYS 27 18.845 20.535 23.202 191 HE3 LYS 27 HE3 LYS 27 17.992 21.652 24.265 192 HZ1 LYS 27 HZ1 LYS 27 16.264 21.893 22.638 193 HZ2 LYS 27 HZ2 LYS 27 17.062 20.979 21.545 194 HZ3 LYS 27 HZ3 LYS 27 16.462 20.312 22.960 195 H CYS 28 H CYS 28 23.796 23.619 24.310 196 HA CYS 28 HA CYS 28 23.873 26.483 24.942 197 HB2 CYS 28 HB2 CYS 28 25.894 24.984 24.841 198 HB3 CYS 28 HB3 CYS 28 25.680 24.935 23.089 199 H ILE 29 H ILE 29 24.290 28.101 23.243 200 HA ILE 29 HA ILE 29 22.009 28.088 21.447 201 HB ILE 29 HB ILE 29 22.585 29.979 22.901 202 HG12 ILE 29 HG12 ILE 29 22.481 30.747 19.960 203 HG13 ILE 29 HG13 ILE 29 21.108 30.156 20.900 204 HG21 ILE 29 HG21 ILE 29 24.339 31.561 22.347 205 HG22 ILE 29 HG22 ILE 29 25.062 29.970 22.578 206 HG23 ILE 29 HG23 ILE 29 24.823 30.617 20.936 207 HD11 ILE 29 HD11 ILE 29 20.967 32.549 20.824 208 HD12 ILE 29 HD12 ILE 29 21.409 32.096 22.482 209 HD13 ILE 29 HD13 ILE 29 22.639 32.743 21.371 210 HA PRO 30 HA PRO 30 24.321 27.104 17.675 211 HB2 PRO 30 HB2 PRO 30 22.062 28.644 16.392 212 HB3 PRO 30 HB3 PRO 30 22.776 27.080 15.907 213 HG2 PRO 30 HG2 PRO 30 20.427 27.115 17.224 214 HG3 PRO 30 HG3 PRO 30 21.688 25.945 17.729 215 HD2 PRO 30 HD2 PRO 30 21.041 28.644 18.962 216 HD3 PRO 30 HD3 PRO 30 21.270 27.060 19.763 217 H ARG 31 H ARG 31 25.785 28.142 16.365 218 HA ARG 31 HA ARG 31 25.619 31.055 15.895 219 HB2 ARG 31 HB2 ARG 31 27.896 31.497 16.514 220 HB3 ARG 31 HB3 ARG 31 26.996 30.885 17.899 221 HG2 ARG 31 HG2 ARG 31 28.065 28.646 17.606 222 HG3 ARG 31 HG3 ARG 31 28.996 29.292 16.235 223 HD2 ARG 31 HD2 ARG 31 29.940 31.044 17.744 224 HD3 ARG 31 HD3 ARG 31 29.068 30.336 19.102 225 HE ARG 31 HE ARG 31 31.398 29.153 17.638 226 HH11 ARG 31 HH11 ARG 31 29.261 28.773 20.455 227 HH12 ARG 31 HH12 ARG 31 30.522 27.815 21.245 228 HH21 ARG 31 HH21 ARG 31 32.763 28.000 18.746 229 HH22 ARG 31 HH22 ARG 31 32.370 27.429 20.382 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 16.930 21.102 38.409 2 H2 GLY 1 H2 GLY 1 16.334 21.600 36.942 3 H3 GLY 1 H3 GLY 1 15.474 21.862 38.316 4 HA2 GLY 1 HA2 GLY 1 17.012 23.425 39.150 5 HA3 GLY 1 HA3 GLY 1 18.104 23.057 37.794 6 H SER 2 H SER 2 17.646 25.624 37.844 7 HA SER 2 HA SER 2 15.252 26.447 36.385 8 HB2 SER 2 HB2 SER 2 17.893 27.870 36.849 9 HB3 SER 2 HB3 SER 2 16.429 28.601 36.160 10 HG SER 2 HG SER 2 16.705 28.875 38.483 11 H GLY 3 H GLY 3 14.876 25.708 34.375 12 HA2 GLY 3 HA2 GLY 3 15.206 25.113 32.153 13 HA3 GLY 3 HA3 GLY 3 16.813 25.854 32.214 14 H CYS 4 H CYS 4 18.562 24.647 32.685 15 HA CYS 4 HA CYS 4 18.249 21.840 33.618 16 HB2 CYS 4 HB2 CYS 4 19.979 22.848 31.395 17 HB3 CYS 4 HB3 CYS 4 20.709 21.727 32.544 18 H MET 5 H MET 5 21.352 23.530 33.593 19 HA MET 5 HA MET 5 20.900 24.832 36.143 20 HB2 MET 5 HB2 MET 5 23.036 22.664 35.906 21 HB3 MET 5 HB3 MET 5 23.013 23.908 37.150 22 HG2 MET 5 HG2 MET 5 20.724 23.053 37.834 23 HG3 MET 5 HG3 MET 5 21.049 21.650 36.796 24 HE1 MET 5 HE1 MET 5 24.308 21.320 37.298 25 HE2 MET 5 HE2 MET 5 24.261 20.117 38.592 26 HE3 MET 5 HE3 MET 5 23.151 19.971 37.210 27 H LYS 6 H LYS 6 22.230 26.596 36.382 28 HA LYS 6 HA LYS 6 23.939 27.614 34.298 29 HB2 LYS 6 HB2 LYS 6 23.801 28.217 37.288 30 HB3 LYS 6 HB3 LYS 6 24.802 29.116 36.143 31 HG2 LYS 6 HG2 LYS 6 22.796 29.781 34.870 32 HG3 LYS 6 HG3 LYS 6 21.769 28.866 35.992 33 HD2 LYS 6 HD2 LYS 6 22.416 30.329 37.848 34 HD3 LYS 6 HD3 LYS 6 23.519 31.239 36.789 35 HE2 LYS 6 HE2 LYS 6 21.646 31.942 35.371 36 HE3 LYS 6 HE3 LYS 6 20.525 30.919 36.285 37 HZ1 LYS 6 HZ1 LYS 6 21.906 33.271 37.456 38 HZ2 LYS 6 HZ2 LYS 6 20.364 33.236 36.889 39 HZ3 LYS 6 HZ3 LYS 6 20.749 32.335 38.175 40 H GLU 7 H GLU 7 24.780 25.866 37.301 41 HA GLU 7 HA GLU 7 27.557 25.903 36.995 42 HB2 GLU 7 HB2 GLU 7 25.761 23.740 38.222 43 HB3 GLU 7 HB3 GLU 7 27.510 23.710 38.338 44 HG2 GLU 7 HG2 GLU 7 26.889 24.628 40.370 45 HG3 GLU 7 HG3 GLU 7 27.409 26.021 39.425 46 H TYR 8 H TYR 8 25.345 23.645 35.468 47 HA TYR 8 HA TYR 8 27.456 21.906 34.391 48 HB2 TYR 8 HB2 TYR 8 25.316 20.893 34.738 49 HB3 TYR 8 HB3 TYR 8 24.469 22.191 33.906 50 HD1 TYR 8 HD2 TYR 8 27.060 19.552 33.322 51 HD2 TYR 8 HD1 TYR 8 23.989 22.033 31.605 52 HE1 TYR 8 HE2 TYR 8 27.419 18.461 31.097 53 HE2 TYR 8 HE1 TYR 8 24.348 20.954 29.380 54 HH TYR 8 HH TYR 8 26.818 18.408 28.886 55 H CYS 9 H CYS 9 25.192 24.340 33.035 56 HA CYS 9 HA CYS 9 26.400 24.216 30.451 57 HB2 CYS 9 HB2 CYS 9 24.126 25.577 31.677 58 HB3 CYS 9 HB3 CYS 9 24.944 26.608 30.505 59 H ALA 10 H ALA 10 27.364 26.186 33.239 60 HA ALA 10 HA ALA 10 28.932 28.078 31.835 61 HB1 ALA 10 HB1 ALA 10 30.173 28.228 33.969 62 HB2 ALA 10 HB2 ALA 10 28.423 28.186 34.235 63 HB3 ALA 10 HB3 ALA 10 29.401 26.729 34.530 64 H GLY 11 H GLY 11 29.487 24.619 32.058 65 HA2 GLY 11 HA2 GLY 11 32.310 24.845 31.161 66 HA3 GLY 11 HA3 GLY 11 31.409 23.371 31.480 67 H GLN 12 H GLN 12 29.231 24.897 29.622 68 HA GLN 12 HA GLN 12 30.285 23.644 27.099 69 HB2 GLN 12 HB2 GLN 12 27.410 23.914 28.030 70 HB3 GLN 12 HB3 GLN 12 27.967 23.061 26.600 71 HG2 GLN 12 HG2 GLN 12 28.594 22.263 29.482 72 HG3 GLN 12 HG3 GLN 12 27.276 21.628 28.531 73 HE21 GLN 12 HE22 GLN 12 29.739 20.304 29.742 74 HE22 GLN 12 HE21 GLN 12 30.259 19.293 28.377 75 H CYS 13 H CYS 13 28.253 26.283 28.368 76 HA CYS 13 HA CYS 13 28.152 27.636 25.707 77 HB2 CYS 13 HB2 CYS 13 26.017 27.586 27.850 78 HB3 CYS 13 HB3 CYS 13 25.867 28.149 26.188 79 H ARG 14 H ARG 14 28.617 29.839 25.728 80 HA ARG 14 HA ARG 14 28.935 31.195 28.390 81 HB2 ARG 14 HB2 ARG 14 30.988 31.022 26.177 82 HB3 ARG 14 HB3 ARG 14 31.080 32.068 27.606 83 HG2 ARG 14 HG2 ARG 14 30.856 29.986 29.050 84 HG3 ARG 14 HG3 ARG 14 31.107 29.026 27.585 85 HD2 ARG 14 HD2 ARG 14 33.341 30.011 27.282 86 HD3 ARG 14 HD3 ARG 14 33.049 31.124 28.622 87 HE ARG 14 HE ARG 14 33.328 29.421 30.187 88 HH11 ARG 14 HH11 ARG 14 33.458 27.884 27.011 89 HH12 ARG 14 HH12 ARG 14 33.952 26.360 27.735 90 HH21 ARG 14 HH21 ARG 14 33.870 27.533 30.950 91 HH22 ARG 14 HH22 ARG 14 34.317 26.191 29.927 92 H GLY 15 H GLY 15 29.333 33.393 28.415 93 HA2 GLY 15 HA2 GLY 15 28.532 35.541 28.020 94 HA3 GLY 15 HA3 GLY 15 27.937 35.070 26.424 95 H LYS 16 H LYS 16 26.578 36.537 28.522 96 HA LYS 16 HA LYS 16 24.851 35.057 30.187 97 HB2 LYS 16 HB2 LYS 16 25.352 37.457 30.369 98 HB3 LYS 16 HB3 LYS 16 24.455 37.793 28.889 99 HG2 LYS 16 HG2 LYS 16 22.366 37.083 29.926 100 HG3 LYS 16 HG3 LYS 16 23.202 36.565 31.393 101 HD2 LYS 16 HD2 LYS 16 23.185 39.446 30.374 102 HD3 LYS 16 HD3 LYS 16 21.997 38.783 31.500 103 HE2 LYS 16 HE2 LYS 16 23.793 38.204 33.098 104 HE3 LYS 16 HE3 LYS 16 24.997 38.939 32.032 105 HZ1 LYS 16 HZ1 LYS 16 24.117 40.399 33.860 106 HZ2 LYS 16 HZ2 LYS 16 23.992 41.073 32.381 107 HZ3 LYS 16 HZ3 LYS 16 22.655 40.434 33.094 108 H VAL 17 H VAL 17 24.415 35.871 26.766 109 HA VAL 17 HA VAL 17 21.582 35.196 26.747 110 HB VAL 17 HB VAL 17 23.479 35.725 24.455 111 HG11 VAL 17 HG11 VAL 17 21.444 36.321 23.184 112 HG12 VAL 17 HG12 VAL 17 21.413 34.625 23.654 113 HG13 VAL 17 HG13 VAL 17 20.430 35.807 24.547 114 HG21 VAL 17 HG21 VAL 17 22.492 38.004 24.515 115 HG22 VAL 17 HG22 VAL 17 21.551 37.564 25.958 116 HG23 VAL 17 HG23 VAL 17 23.322 37.640 26.020 117 H SER 18 H SER 18 24.520 33.504 25.571 118 HA SER 18 HA SER 18 23.149 31.163 24.599 119 HB2 SER 18 HB2 SER 18 25.534 31.879 24.123 120 HB3 SER 18 HB3 SER 18 25.947 31.338 25.751 121 HG SER 18 HG SER 18 26.346 29.850 24.065 122 H GLN 19 H GLN 19 24.757 31.856 27.814 123 HA GLN 19 HA GLN 19 23.710 29.508 29.061 124 HB2 GLN 19 HB2 GLN 19 24.512 32.215 30.158 125 HB3 GLN 19 HB3 GLN 19 24.042 30.841 31.191 126 HG2 GLN 19 HG2 GLN 19 25.821 29.454 30.210 127 HG3 GLN 19 HG3 GLN 19 26.264 30.747 29.096 128 HE21 GLN 19 HE22 GLN 19 28.344 29.991 30.223 129 HE22 GLN 19 HE21 GLN 19 28.850 31.057 31.535 130 H ASP 20 H ASP 20 22.043 32.691 28.653 131 HA ASP 20 HA ASP 20 19.682 31.958 30.099 132 HB2 ASP 20 HB2 ASP 20 20.176 34.255 29.641 133 HB3 ASP 20 HB3 ASP 20 20.216 33.963 27.899 134 H TYR 21 H TYR 21 20.541 31.491 26.616 135 HA TYR 21 HA TYR 21 18.073 30.177 25.927 136 HB2 TYR 21 HB2 TYR 21 19.803 31.001 24.329 137 HB3 TYR 21 HB3 TYR 21 20.840 29.661 24.799 138 HD1 TYR 21 HD2 TYR 21 17.770 30.630 22.981 139 HD2 TYR 21 HD1 TYR 21 20.355 27.362 24.060 140 HE1 TYR 21 HE2 TYR 21 16.687 29.188 21.257 141 HE2 TYR 21 HE1 TYR 21 19.293 25.937 22.325 142 HH TYR 21 HH TYR 21 17.820 25.887 20.514 143 H CYS 22 H CYS 22 21.095 28.885 27.395 144 HA CYS 22 HA CYS 22 20.220 26.128 27.370 145 HB2 CYS 22 HB2 CYS 22 22.552 26.653 27.705 146 HB3 CYS 22 HB3 CYS 22 22.203 27.528 29.199 147 H LEU 23 H LEU 23 19.680 28.762 29.665 148 HA LEU 23 HA LEU 23 18.201 27.266 31.603 149 HB2 LEU 23 HB2 LEU 23 18.915 30.049 30.956 150 HB3 LEU 23 HB3 LEU 23 17.323 29.900 31.686 151 HG LEU 23 HG LEU 23 18.236 28.730 33.620 152 HD11 LEU 23 HD11 LEU 23 20.986 29.032 32.314 153 HD12 LEU 23 HD12 LEU 23 20.665 28.473 33.973 154 HD13 LEU 23 HD13 LEU 23 20.149 27.492 32.610 155 HD21 LEU 23 HD21 LEU 23 19.540 30.571 34.530 156 HD22 LEU 23 HD22 LEU 23 19.881 31.174 32.881 157 HD23 LEU 23 HD23 LEU 23 18.222 31.191 33.533 158 H LYS 24 H LYS 24 17.259 27.984 28.434 159 HA LYS 24 HA LYS 24 14.383 27.407 29.124 160 HB2 LYS 24 HB2 LYS 24 15.553 28.816 26.704 161 HB3 LYS 24 HB3 LYS 24 13.835 28.455 26.958 162 HG2 LYS 24 HG2 LYS 24 13.860 29.892 28.993 163 HG3 LYS 24 HG3 LYS 24 15.576 30.210 28.731 164 HD2 LYS 24 HD2 LYS 24 14.289 30.891 26.289 165 HD3 LYS 24 HD3 LYS 24 13.279 31.564 27.574 166 HE2 LYS 24 HE2 LYS 24 16.307 31.927 27.416 167 HE3 LYS 24 HE3 LYS 24 15.170 33.053 26.679 168 HZ1 LYS 24 HZ1 LYS 24 15.979 33.655 28.936 169 HZ2 LYS 24 HZ2 LYS 24 14.341 33.660 28.809 170 HZ3 LYS 24 HZ3 LYS 24 15.140 32.440 29.592 171 H HIS 25 H HIS 25 17.181 26.282 27.433 172 HA HIS 25 HA HIS 25 15.612 24.043 26.199 173 HB2 HIS 25 HB2 HIS 25 17.657 25.852 24.869 174 HB3 HIS 25 HB3 HIS 25 16.840 24.495 24.103 175 HD2 HIS 25 HD2 HIS 25 16.443 28.169 24.673 176 HE1 HIS 25 HE1 HIS 25 12.686 26.828 23.166 177 HE2 HIS 25 HE2 HIS 25 14.142 28.878 23.581 178 H CYS 26 H CYS 26 18.205 24.328 28.307 179 HA CYS 26 HA CYS 26 19.964 23.050 28.834 180 HB2 CYS 26 HB2 CYS 26 18.213 20.928 27.599 181 HB3 CYS 26 HB3 CYS 26 19.598 20.601 28.617 182 H LYS 27 H LYS 27 19.991 24.072 25.944 183 HA LYS 27 HA LYS 27 22.545 22.761 25.109 184 HB2 LYS 27 HB2 LYS 27 20.202 23.680 23.376 185 HB3 LYS 27 HB3 LYS 27 21.808 23.329 22.746 186 HG2 LYS 27 HG2 LYS 27 21.645 20.995 23.563 187 HG3 LYS 27 HG3 LYS 27 19.986 21.319 24.128 188 HD2 LYS 27 HD2 LYS 27 19.324 21.935 21.839 189 HD3 LYS 27 HD3 LYS 27 20.977 21.647 21.260 190 HE2 LYS 27 HE2 LYS 27 20.768 19.255 22.106 191 HE3 LYS 27 HE3 LYS 27 19.063 19.590 22.441 192 HZ1 LYS 27 HZ1 LYS 27 18.875 20.150 20.007 193 HZ2 LYS 27 HZ2 LYS 27 20.383 19.563 19.780 194 HZ3 LYS 27 HZ3 LYS 27 19.221 18.561 20.344 195 H CYS 28 H CYS 28 23.820 24.254 23.664 196 HA CYS 28 HA CYS 28 23.783 27.028 24.657 197 HB2 CYS 28 HB2 CYS 28 25.413 25.896 22.373 198 HB3 CYS 28 HB3 CYS 28 25.709 27.360 23.307 199 H ILE 29 H ILE 29 23.818 28.853 22.965 200 HA ILE 29 HA ILE 29 21.268 28.692 21.601 201 HB ILE 29 HB ILE 29 21.902 30.575 22.941 202 HG12 ILE 29 HG12 ILE 29 21.380 31.407 20.076 203 HG13 ILE 29 HG13 ILE 29 20.177 30.695 21.166 204 HG21 ILE 29 HG21 ILE 29 23.496 32.230 22.351 205 HG22 ILE 29 HG22 ILE 29 24.332 30.683 22.214 206 HG23 ILE 29 HG23 ILE 29 23.771 31.499 20.750 207 HD11 ILE 29 HD11 ILE 29 21.625 33.330 21.624 208 HD12 ILE 29 HD12 ILE 29 19.935 33.109 21.156 209 HD13 ILE 29 HD13 ILE 29 20.483 32.565 22.756 210 HA PRO 30 HA PRO 30 22.795 27.250 17.739 211 HB2 PRO 30 HB2 PRO 30 20.441 28.760 16.569 212 HB3 PRO 30 HB3 PRO 30 21.025 27.109 16.184 213 HG2 PRO 30 HG2 PRO 30 18.951 27.442 17.862 214 HG3 PRO 30 HG3 PRO 30 20.265 26.305 18.312 215 HD2 PRO 30 HD2 PRO 30 19.838 29.158 19.248 216 HD3 PRO 30 HD3 PRO 30 20.253 27.689 20.185 217 H ARG 31 H ARG 31 24.673 28.075 17.157 218 HA ARG 31 HA ARG 31 24.870 30.517 15.456 219 HB2 ARG 31 HB2 ARG 31 26.466 29.943 17.992 220 HB3 ARG 31 HB3 ARG 31 26.996 31.085 16.750 221 HG2 ARG 31 HG2 ARG 31 24.924 32.393 17.033 222 HG3 ARG 31 HG3 ARG 31 24.370 31.283 18.292 223 HD2 ARG 31 HD2 ARG 31 26.261 31.891 19.723 224 HD3 ARG 31 HD3 ARG 31 26.899 32.973 18.464 225 HE ARG 31 HE ARG 31 24.479 34.032 18.706 226 HH11 ARG 31 HH22 ARG 31 26.866 33.465 21.264 227 HH12 ARG 31 HH21 ARG 31 25.962 34.466 22.378 228 HH21 ARG 31 HH11 ARG 31 23.414 35.201 20.220 229 HH22 ARG 31 HH12 ARG 31 24.336 35.717 21.632
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