NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629497 | 6f7m | 34213 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 1 -4.360 19.691 9.392 2 H2 ACE 1 H2 ACE 1 -4.934 19.045 7.835 3 H3 ACE 1 H3 ACE 1 -4.111 17.974 8.995 4 H LYS 2 H LYS 2 -1.903 18.343 9.441 5 HA LYS 2 HA LYS 2 -0.489 19.637 7.202 6 HB2 LYS 2 HB2 LYS 2 -0.333 20.602 9.656 7 HB3 LYS 2 HB3 LYS 2 0.823 19.294 9.867 8 HG2 LYS 2 HG2 LYS 2 2.215 20.160 8.120 9 HG3 LYS 2 HG3 LYS 2 1.009 21.379 7.702 10 HD2 LYS 2 HD2 LYS 2 1.292 22.419 9.894 11 HD3 LYS 2 HD3 LYS 2 2.477 21.186 10.334 12 HE2 LYS 2 HE2 LYS 2 3.774 23.013 9.674 13 HE3 LYS 2 HE3 LYS 2 3.766 21.962 8.260 14 HZ1 LYS 2 HZ1 LYS 2 1.996 24.315 8.648 15 HZ2 LYS 2 HZ2 LYS 2 2.053 23.328 7.276 16 HZ3 LYS 2 HZ3 LYS 2 3.385 24.289 7.681 17 H ARG 3 H ARG 3 -1.399 16.885 7.390 18 HA ARG 3 HA ARG 3 0.748 15.172 8.088 19 HB2 ARG 3 HB2 ARG 3 -1.764 14.846 6.481 20 HB3 ARG 3 HB3 ARG 3 -0.559 13.564 6.507 21 HG2 ARG 3 HG2 ARG 3 -0.736 13.777 9.077 22 HG3 ARG 3 HG3 ARG 3 -2.255 14.607 8.733 23 HD2 ARG 3 HD2 ARG 3 -3.246 12.632 8.520 24 HD3 ARG 3 HD3 ARG 3 -2.216 12.295 7.128 25 HE ARG 3 HE ARG 3 -0.647 11.652 9.240 26 HH11 ARG 3 HH11 ARG 3 -3.790 9.183 9.015 27 HH12 ARG 3 HH12 ARG 3 -3.871 10.752 8.284 28 HH21 ARG 3 HH21 ARG 3 -1.889 8.523 10.109 29 HH22 ARG 3 HH22 ARG 3 -0.529 9.590 10.206 30 H ILE 4 H ILE 4 2.436 14.411 6.928 31 HA ILE 4 HA ILE 4 2.736 15.432 4.181 32 HB ILE 4 HB ILE 4 4.900 14.802 6.191 33 HG12 ILE 4 HG12 ILE 4 3.648 16.893 6.640 34 HG13 ILE 4 HG13 ILE 4 5.325 17.197 6.198 35 HG21 ILE 4 HG21 ILE 4 5.943 14.318 4.207 36 HG22 ILE 4 HG22 ILE 4 4.956 15.451 3.286 37 HG23 ILE 4 HG23 ILE 4 6.253 16.051 4.321 38 HD11 ILE 4 HD11 ILE 4 3.835 18.788 5.140 39 HD12 ILE 4 HD12 ILE 4 4.618 17.767 3.934 40 HD13 ILE 4 HD13 ILE 4 2.940 17.470 4.385 41 H GLY 5 H GLY 5 3.013 14.005 2.578 42 HA2 GLY 5 HA2 GLY 5 3.774 12.034 1.555 43 HA3 GLY 5 HA3 GLY 5 4.065 11.347 3.147 44 H VAL 6 H VAL 6 1.297 12.541 1.238 45 HA VAL 6 HA VAL 6 -0.159 10.106 2.035 46 HB VAL 6 HB VAL 6 -1.411 12.819 1.604 47 HG11 VAL 6 HG11 VAL 6 -3.315 11.591 2.841 48 HG12 VAL 6 HG12 VAL 6 -3.055 11.244 1.130 49 HG13 VAL 6 HG13 VAL 6 -2.470 10.121 2.359 50 HG21 VAL 6 HG21 VAL 6 -1.854 12.422 4.175 51 HG22 VAL 6 HG22 VAL 6 -0.371 11.477 4.047 52 HG23 VAL 6 HG23 VAL 6 -0.367 13.184 3.607 53 H ARG 7 H ARG 7 0.640 9.205 0.025 54 HA ARG 7 HA ARG 7 0.418 8.586 -2.151 55 HB2 ARG 7 HB2 ARG 7 -2.225 10.045 -1.982 56 HB3 ARG 7 HB3 ARG 7 -1.774 8.845 -3.185 57 HG2 ARG 7 HG2 ARG 7 -1.881 8.237 -0.246 58 HG3 ARG 7 HG3 ARG 7 -3.271 8.055 -1.318 59 HD2 ARG 7 HD2 ARG 7 -2.512 5.989 -1.696 60 HD3 ARG 7 HD3 ARG 7 -1.270 6.759 -2.683 61 HE ARG 7 HE ARG 7 0.265 6.126 -1.125 62 HH11 ARG 7 HH11 ARG 7 -2.309 5.543 1.887 63 HH12 ARG 7 HH12 ARG 7 -2.876 6.177 0.377 64 HH21 ARG 7 HH21 ARG 7 -0.090 5.041 2.159 65 HH22 ARG 7 HH22 ARG 7 1.024 5.291 0.857 66 H LEU 8 H LEU 8 2.164 9.961 -2.764 67 HA LEU 8 HA LEU 8 1.730 12.645 -3.625 68 HB2 LEU 8 HB2 LEU 8 3.985 10.698 -3.791 69 HB3 LEU 8 HB3 LEU 8 4.035 12.164 -4.767 70 HG LEU 8 HG LEU 8 5.302 12.396 -2.683 71 HD11 LEU 8 HD11 LEU 8 2.809 14.090 -2.770 72 HD12 LEU 8 HD12 LEU 8 4.283 14.365 -3.697 73 HD13 LEU 8 HD13 LEU 8 4.311 14.495 -1.939 74 HD21 LEU 8 HD21 LEU 8 2.642 12.051 -1.304 75 HD22 LEU 8 HD22 LEU 8 4.186 12.418 -0.535 76 HD23 LEU 8 HD23 LEU 8 3.940 10.857 -1.321 77 HA PRO 9 HA PRO 9 0.415 12.136 -7.781 78 HB2 PRO 9 HB2 PRO 9 1.771 14.110 -9.058 79 HB3 PRO 9 HB3 PRO 9 0.422 14.426 -7.959 80 HG2 PRO 9 HG2 PRO 9 3.366 14.588 -7.440 81 HG3 PRO 9 HG3 PRO 9 2.079 15.703 -6.945 82 HD2 PRO 9 HD2 PRO 9 3.146 13.869 -5.263 83 HD3 PRO 9 HD3 PRO 9 1.450 14.383 -5.164 84 H GLY 10 H GLY 10 3.822 12.007 -7.076 85 HA2 GLY 10 HA2 GLY 10 4.407 9.821 -8.640 86 HA3 GLY 10 HA3 GLY 10 4.670 11.206 -9.689 87 H HIS 11 H HIS 11 6.325 12.697 -9.180 88 HA HIS 11 HA HIS 11 8.445 13.249 -8.560 89 HB2 HIS 11 HB2 HIS 11 7.467 12.021 -5.979 90 HB3 HIS 11 HB3 HIS 11 9.005 12.865 -6.131 91 HD1 HIS 11 HD1 HIS 11 5.338 13.621 -6.844 92 HD2 HIS 11 HD2 HIS 11 8.801 15.478 -5.494 93 HE1 HIS 11 HE1 HIS 11 4.657 15.969 -6.255 94 H GLN 12 H GLN 12 8.027 10.701 -9.868 95 HA GLN 12 HA GLN 12 10.070 8.993 -8.651 96 HB2 GLN 12 HB2 GLN 12 7.666 8.405 -9.902 97 HB3 GLN 12 HB3 GLN 12 8.871 8.014 -11.121 98 HG2 GLN 12 HG2 GLN 12 10.029 6.597 -9.459 99 HG3 GLN 12 HG3 GLN 12 8.722 6.922 -8.322 100 HE21 GLN 12 HE21 GLN 12 9.129 5.880 -11.694 101 HE22 GLN 12 HE22 GLN 12 7.944 4.625 -11.627 102 H LYS 13 H LYS 13 9.288 10.565 -11.735 103 HA LYS 13 HA LYS 13 11.694 9.808 -13.037 104 HB2 LYS 13 HB2 LYS 13 11.073 11.599 -14.669 105 HB3 LYS 13 HB3 LYS 13 9.799 10.424 -14.372 106 HG2 LYS 13 HG2 LYS 13 8.411 12.060 -13.849 107 HG3 LYS 13 HG3 LYS 13 9.468 12.545 -12.521 108 HD2 LYS 13 HD2 LYS 13 10.450 14.214 -13.734 109 HD3 LYS 13 HD3 LYS 13 10.223 13.379 -15.272 110 HE2 LYS 13 HE2 LYS 13 7.874 14.426 -13.739 111 HE3 LYS 13 HE3 LYS 13 8.825 15.499 -14.764 112 HZ1 LYS 13 HZ1 LYS 13 7.919 12.972 -15.919 113 HZ2 LYS 13 HZ2 LYS 13 8.113 14.485 -16.649 114 HZ3 LYS 13 HZ3 LYS 13 6.759 14.180 -15.682 115 H ARG 14 H ARG 14 10.838 12.394 -10.885 116 HA ARG 14 HA ARG 14 13.242 13.912 -11.486 117 HB2 ARG 14 HB2 ARG 14 10.898 14.856 -10.847 118 HB3 ARG 14 HB3 ARG 14 11.394 14.501 -9.198 119 HG2 ARG 14 HG2 ARG 14 13.363 15.933 -9.493 120 HG3 ARG 14 HG3 ARG 14 12.828 16.310 -11.132 121 HD2 ARG 14 HD2 ARG 14 10.629 16.788 -9.445 122 HD3 ARG 14 HD3 ARG 14 12.032 17.490 -8.642 123 HE ARG 14 HE ARG 14 10.737 18.469 -10.979 124 HH11 ARG 14 HH11 ARG 14 14.508 19.575 -10.213 125 HH12 ARG 14 HH12 ARG 14 13.840 18.184 -9.425 126 HH21 ARG 14 HH21 ARG 14 13.237 20.780 -11.688 127 HH22 ARG 14 HH22 ARG 14 11.607 20.304 -12.022 128 HN MK8 15 HNA MK8 15 12.153 11.468 -9.166 129 HB MK8 15 HB MK8 15 12.206 9.897 -7.154 130 HBA MK8 15 HBA MK8 15 13.313 9.139 -8.254 131 HD MK8 15 HD MK8 15 16.070 9.765 -6.293 132 HDA MK8 15 HDA MK8 15 15.774 8.396 -5.273 133 HE MK8 15 HE MK8 15 15.062 7.250 -7.675 134 HG MK8 15 HG MK8 15 13.765 9.707 -5.275 135 HGA MK8 15 HGA MK8 15 13.462 8.169 -6.012 136 HB1 MK8 15 HB1 MK8 15 14.508 11.816 -5.791 137 HB1A MK8 15 HB1A MK8 15 13.975 13.182 -6.759 138 HB1B MK8 15 HB1B MK8 15 12.781 12.108 -6.048 139 H ALA 16 H ALA 16 14.321 10.058 -9.875 140 HA ALA 16 HA ALA 16 16.971 9.334 -9.706 141 HB1 ALA 16 HB1 ALA 16 16.571 9.881 -12.411 142 HB2 ALA 16 HB2 ALA 16 16.312 8.345 -11.584 143 HB3 ALA 16 HB3 ALA 16 14.973 9.478 -11.780 144 H TYR 17 H TYR 17 15.622 12.325 -11.066 145 HA TYR 17 HA TYR 17 18.064 13.430 -11.919 146 HB2 TYR 17 HB2 TYR 17 15.716 14.183 -12.542 147 HB3 TYR 17 HB3 TYR 17 15.672 15.019 -10.994 148 HD1 TYR 17 HD1 TYR 17 16.427 15.354 -14.401 149 HD2 TYR 17 HD2 TYR 17 17.743 16.613 -10.556 150 HE1 TYR 17 HE1 TYR 17 17.545 17.291 -15.426 151 HE2 TYR 17 HE2 TYR 17 18.863 18.555 -11.570 152 HH TYR 17 HH TYR 17 18.438 19.929 -13.877 153 H SER 18 H SER 18 16.222 13.879 -8.915 154 HA SER 18 HA SER 18 17.873 15.751 -7.691 155 HB2 SER 18 HB2 SER 18 15.572 14.668 -6.960 156 HB3 SER 18 HB3 SER 18 16.622 13.605 -6.024 157 HG SER 18 HG SER 18 17.045 15.193 -4.708 158 HN MK8 19 HNA MK8 19 18.257 12.231 -8.004 159 HB MK8 19 HB MK8 19 20.058 10.277 -8.759 160 HBA MK8 19 HBA MK8 19 20.795 9.691 -7.302 161 HD MK8 19 HD MK8 19 19.028 8.021 -8.579 162 HDA MK8 19 HDA MK8 19 19.048 7.535 -6.912 163 HE MK8 19 HE MK8 19 17.102 6.783 -8.599 164 HG MK8 19 HG MK8 19 18.425 9.754 -6.189 165 HGA MK8 19 HGA MK8 19 17.848 10.161 -7.797 166 HB1 MK8 19 HB1 MK8 19 19.572 11.290 -5.099 167 HB1A MK8 19 HB1A MK8 19 21.281 10.997 -5.438 168 HB1B MK8 19 HB1B MK8 19 20.684 12.622 -5.213 169 H LEU 20 H LEU 20 20.265 12.650 -9.509 170 HA LEU 20 HA LEU 20 22.915 12.918 -10.212 171 HB2 LEU 20 HB2 LEU 20 20.641 13.233 -11.535 172 HB3 LEU 20 HB3 LEU 20 20.991 14.935 -11.246 173 HG LEU 20 HG LEU 20 21.765 14.271 -13.442 174 HD11 LEU 20 HD11 LEU 20 23.952 15.151 -13.335 175 HD12 LEU 20 HD12 LEU 20 24.184 14.580 -11.683 176 HD13 LEU 20 HD13 LEU 20 23.062 15.899 -12.009 177 HD21 LEU 20 HD21 LEU 20 22.117 11.846 -12.724 178 HD22 LEU 20 HD22 LEU 20 23.697 12.372 -12.144 179 HD23 LEU 20 HD23 LEU 20 23.285 12.534 -13.852 180 H GLY 21 H GLY 21 20.766 15.495 -9.001 181 HA2 GLY 21 HA2 GLY 21 22.858 17.429 -8.843 182 HA3 GLY 21 HA3 GLY 21 21.257 17.573 -8.133 183 H LEU 22 H LEU 22 22.262 14.741 -6.973 184 HA LEU 22 HA LEU 22 23.708 15.932 -4.701 185 HB2 LEU 22 HB2 LEU 22 21.121 14.956 -4.635 186 HB3 LEU 22 HB3 LEU 22 22.087 13.624 -4.004 187 HG LEU 22 HG LEU 22 21.305 14.912 -2.157 188 HD11 LEU 22 HD11 LEU 22 24.179 15.676 -2.642 189 HD12 LEU 22 HD12 LEU 22 23.644 14.090 -2.086 190 HD13 LEU 22 HD13 LEU 22 23.367 15.516 -1.085 191 HD21 LEU 22 HD21 LEU 22 22.213 17.232 -3.805 192 HD22 LEU 22 HD22 LEU 22 22.169 17.369 -2.048 193 HD23 LEU 22 HD23 LEU 22 20.695 16.992 -2.940 194 H LYS 23 H LYS 23 24.734 14.530 -7.034 195 HA LYS 23 HA LYS 23 26.082 12.335 -5.625 196 HB2 LYS 23 HB2 LYS 23 24.470 11.228 -7.018 197 HB3 LYS 23 HB3 LYS 23 24.895 12.230 -8.400 198 HG2 LYS 23 HG2 LYS 23 26.758 11.027 -8.880 199 HG3 LYS 23 HG3 LYS 23 27.052 10.598 -7.193 200 HD2 LYS 23 HD2 LYS 23 25.069 9.079 -7.321 201 HD3 LYS 23 HD3 LYS 23 24.996 9.412 -9.053 202 HE2 LYS 23 HE2 LYS 23 26.756 8.086 -9.505 203 HE3 LYS 23 HE3 LYS 23 27.640 8.605 -8.069 204 HZ1 LYS 23 HZ1 LYS 23 27.042 6.258 -7.976 205 HZ2 LYS 23 HZ2 LYS 23 25.402 6.653 -8.091 206 HZ3 LYS 23 HZ3 LYS 23 26.292 7.128 -6.734 207 H ASP 24 H ASP 24 26.114 14.289 -8.605 208 HA ASP 24 HA ASP 24 28.840 13.948 -9.175 209 HB2 ASP 24 HB2 ASP 24 26.670 15.314 -10.320 210 HB3 ASP 24 HB3 ASP 24 27.889 16.548 -10.007 211 H GLN 25 H GLN 25 27.167 16.125 -7.020 212 HA GLN 25 HA GLN 25 29.389 17.880 -6.604 213 HB2 GLN 25 HB2 GLN 25 26.842 18.290 -6.204 214 HB3 GLN 25 HB3 GLN 25 27.150 17.555 -4.635 215 HG2 GLN 25 HG2 GLN 25 29.168 19.470 -5.025 216 HG3 GLN 25 HG3 GLN 25 27.653 20.226 -5.514 217 HE21 GLN 25 HE21 GLN 25 25.824 19.920 -3.955 218 HE22 GLN 25 HE22 GLN 25 26.196 20.043 -2.272 219 H VAL 26 H VAL 26 27.780 15.580 -4.396 220 HA VAL 26 HA VAL 26 29.688 15.599 -2.390 221 HB VAL 26 HB VAL 26 28.038 13.210 -3.225 222 HG11 VAL 26 HG11 VAL 26 29.536 13.930 -0.729 223 HG12 VAL 26 HG12 VAL 26 28.169 12.812 -0.687 224 HG13 VAL 26 HG13 VAL 26 29.589 12.436 -1.664 225 HG21 VAL 26 HG21 VAL 26 26.801 14.417 -1.068 226 HG22 VAL 26 HG22 VAL 26 27.282 15.774 -2.086 227 HG23 VAL 26 HG23 VAL 26 26.272 14.489 -2.748 228 HN1 NH2 27 HN1 NH2 27 29.529 13.610 -5.330 229 HN2 NH2 27 HN2 NH2 27 31.131 12.962 -5.208 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -12.467 -0.488 -3.547 2 H2 ACE 1 H2 ACE 1 -11.368 0.553 -2.611 3 H3 ACE 1 H3 ACE 1 -13.123 0.637 -2.333 4 H LYS 2 H LYS 2 -13.418 2.720 -2.817 5 HA LYS 2 HA LYS 2 -13.450 3.396 -5.629 6 HB2 LYS 2 HB2 LYS 2 -14.748 4.345 -3.193 7 HB3 LYS 2 HB3 LYS 2 -14.227 5.661 -4.236 8 HG2 LYS 2 HG2 LYS 2 -16.128 5.363 -5.342 9 HG3 LYS 2 HG3 LYS 2 -15.412 3.883 -5.984 10 HD2 LYS 2 HD2 LYS 2 -17.281 2.960 -5.094 11 HD3 LYS 2 HD3 LYS 2 -16.296 2.956 -3.630 12 HE2 LYS 2 HE2 LYS 2 -17.316 4.984 -2.865 13 HE3 LYS 2 HE3 LYS 2 -18.163 5.194 -4.397 14 HZ1 LYS 2 HZ1 LYS 2 -18.883 2.699 -3.474 15 HZ2 LYS 2 HZ2 LYS 2 -19.843 4.091 -3.497 16 HZ3 LYS 2 HZ3 LYS 2 -18.945 3.705 -2.116 17 H ARG 3 H ARG 3 -12.241 4.940 -6.646 18 HA ARG 3 HA ARG 3 -9.773 5.697 -5.332 19 HB2 ARG 3 HB2 ARG 3 -9.024 6.402 -7.503 20 HB3 ARG 3 HB3 ARG 3 -9.831 4.849 -7.677 21 HG2 ARG 3 HG2 ARG 3 -11.915 6.304 -8.240 22 HG3 ARG 3 HG3 ARG 3 -10.713 7.553 -8.572 23 HD2 ARG 3 HD2 ARG 3 -9.645 6.172 -10.215 24 HD3 ARG 3 HD3 ARG 3 -10.661 4.797 -9.787 25 HE ARG 3 HE ARG 3 -12.240 7.002 -10.612 26 HH11 ARG 3 HH11 ARG 3 -10.937 4.424 -13.384 27 HH12 ARG 3 HH12 ARG 3 -10.169 4.483 -11.832 28 HH21 ARG 3 HH21 ARG 3 -12.694 5.820 -13.850 29 HH22 ARG 3 HH22 ARG 3 -13.258 6.934 -12.651 30 H ILE 4 H ILE 4 -9.166 7.722 -4.740 31 HA ILE 4 HA ILE 4 -11.229 9.811 -4.920 32 HB ILE 4 HB ILE 4 -8.931 9.642 -2.969 33 HG12 ILE 4 HG12 ILE 4 -11.221 9.384 -1.497 34 HG13 ILE 4 HG13 ILE 4 -11.641 8.491 -2.955 35 HG21 ILE 4 HG21 ILE 4 -10.978 11.666 -3.566 36 HG22 ILE 4 HG22 ILE 4 -10.756 11.298 -1.857 37 HG23 ILE 4 HG23 ILE 4 -9.388 11.841 -2.827 38 HD11 ILE 4 HD11 ILE 4 -10.712 6.803 -1.782 39 HD12 ILE 4 HD12 ILE 4 -9.235 7.441 -2.505 40 HD13 ILE 4 HD13 ILE 4 -9.665 7.875 -0.852 41 H GLY 5 H GLY 5 -7.949 9.000 -5.701 42 HA2 GLY 5 HA2 GLY 5 -7.523 10.741 -7.718 43 HA3 GLY 5 HA3 GLY 5 -7.178 11.725 -6.303 44 H VAL 6 H VAL 6 -5.790 9.866 -8.613 45 HA VAL 6 HA VAL 6 -3.686 8.765 -6.908 46 HB VAL 6 HB VAL 6 -3.998 8.530 -9.904 47 HG11 VAL 6 HG11 VAL 6 -2.193 7.201 -7.901 48 HG12 VAL 6 HG12 VAL 6 -2.504 6.517 -9.497 49 HG13 VAL 6 HG13 VAL 6 -1.748 8.104 -9.348 50 HG21 VAL 6 HG21 VAL 6 -4.757 6.534 -7.775 51 HG22 VAL 6 HG22 VAL 6 -5.899 7.549 -8.655 52 HG23 VAL 6 HG23 VAL 6 -4.943 6.345 -9.519 53 H ARG 7 H ARG 7 -3.029 11.010 -6.345 54 HA ARG 7 HA ARG 7 -0.971 11.908 -8.217 55 HB2 ARG 7 HB2 ARG 7 -3.167 13.624 -7.078 56 HB3 ARG 7 HB3 ARG 7 -1.641 14.311 -7.619 57 HG2 ARG 7 HG2 ARG 7 -3.208 12.553 -9.451 58 HG3 ARG 7 HG3 ARG 7 -3.676 14.239 -9.226 59 HD2 ARG 7 HD2 ARG 7 -2.232 14.545 -10.943 60 HD3 ARG 7 HD3 ARG 7 -1.055 14.572 -9.629 61 HE ARG 7 HE ARG 7 -1.539 11.949 -10.705 62 HH11 ARG 7 HH11 ARG 7 1.624 14.118 -11.854 63 HH12 ARG 7 HH12 ARG 7 0.310 14.882 -11.022 64 HH21 ARG 7 HH21 ARG 7 1.551 11.872 -12.295 65 HH22 ARG 7 HH22 ARG 7 0.185 10.932 -11.799 66 H LEU 8 H LEU 8 0.335 10.779 -6.610 67 HA LEU 8 HA LEU 8 0.546 12.066 -4.002 68 HB2 LEU 8 HB2 LEU 8 1.640 9.554 -5.202 69 HB3 LEU 8 HB3 LEU 8 2.363 10.231 -3.745 70 HG LEU 8 HG LEU 8 0.807 8.473 -3.169 71 HD11 LEU 8 HD11 LEU 8 1.017 10.453 -1.696 72 HD12 LEU 8 HD12 LEU 8 -0.551 9.655 -1.577 73 HD13 LEU 8 HD13 LEU 8 -0.393 11.153 -2.493 74 HD21 LEU 8 HD21 LEU 8 -1.371 10.122 -4.436 75 HD22 LEU 8 HD22 LEU 8 -1.501 8.505 -3.740 76 HD23 LEU 8 HD23 LEU 8 -0.597 8.753 -5.235 77 HA PRO 9 HA PRO 9 4.096 14.480 -4.906 78 HB2 PRO 9 HB2 PRO 9 5.516 14.275 -2.601 79 HB3 PRO 9 HB3 PRO 9 4.023 15.213 -2.729 80 HG2 PRO 9 HG2 PRO 9 4.440 12.452 -1.649 81 HG3 PRO 9 HG3 PRO 9 3.449 13.772 -0.998 82 HD2 PRO 9 HD2 PRO 9 2.391 11.716 -2.408 83 HD3 PRO 9 HD3 PRO 9 1.711 13.354 -2.454 84 H GLY 10 H GLY 10 4.510 11.157 -3.962 85 HA2 GLY 10 HA2 GLY 10 7.334 11.069 -4.539 86 HA3 GLY 10 HA3 GLY 10 6.294 9.696 -4.192 87 H HIS 11 H HIS 11 8.031 11.305 -6.563 88 HA HIS 11 HA HIS 11 6.531 9.965 -8.715 89 HB2 HIS 11 HB2 HIS 11 8.390 12.348 -8.840 90 HB3 HIS 11 HB3 HIS 11 7.672 11.569 -10.248 91 HD1 HIS 11 HD1 HIS 11 5.980 12.547 -6.990 92 HD2 HIS 11 HD2 HIS 11 5.833 13.395 -11.055 93 HE1 HIS 11 HE1 HIS 11 4.003 14.072 -7.288 94 H GLN 12 H GLN 12 7.730 8.906 -10.383 95 HA GLN 12 HA GLN 12 10.296 7.852 -9.413 96 HB2 GLN 12 HB2 GLN 12 8.544 6.652 -11.555 97 HB3 GLN 12 HB3 GLN 12 9.877 5.884 -10.702 98 HG2 GLN 12 HG2 GLN 12 8.360 6.404 -8.603 99 HG3 GLN 12 HG3 GLN 12 7.088 6.372 -9.824 100 HE21 GLN 12 HE21 GLN 12 8.076 4.553 -7.543 101 HE22 GLN 12 HE22 GLN 12 8.071 2.984 -8.264 102 H LYS 13 H LYS 13 10.184 10.384 -10.695 103 HA LYS 13 HA LYS 13 11.801 9.786 -13.074 104 HB2 LYS 13 HB2 LYS 13 9.397 10.616 -13.556 105 HB3 LYS 13 HB3 LYS 13 9.979 12.176 -12.990 106 HG2 LYS 13 HG2 LYS 13 11.458 12.412 -14.767 107 HG3 LYS 13 HG3 LYS 13 11.430 10.688 -15.142 108 HD2 LYS 13 HD2 LYS 13 8.975 11.007 -15.720 109 HD3 LYS 13 HD3 LYS 13 9.292 12.743 -15.655 110 HE2 LYS 13 HE2 LYS 13 9.883 12.578 -17.799 111 HE3 LYS 13 HE3 LYS 13 11.340 11.766 -17.229 112 HZ1 LYS 13 HZ1 LYS 13 8.912 10.171 -17.625 113 HZ2 LYS 13 HZ2 LYS 13 10.534 9.722 -17.791 114 HZ3 LYS 13 HZ3 LYS 13 9.787 10.653 -18.991 115 H ARG 14 H ARG 14 10.767 12.678 -11.256 116 HA ARG 14 HA ARG 14 13.240 14.000 -11.523 117 HB2 ARG 14 HB2 ARG 14 10.877 14.909 -10.881 118 HB3 ARG 14 HB3 ARG 14 11.382 14.544 -9.236 119 HG2 ARG 14 HG2 ARG 14 13.310 16.013 -9.490 120 HG3 ARG 14 HG3 ARG 14 12.827 16.364 -11.150 121 HD2 ARG 14 HD2 ARG 14 11.149 17.746 -10.512 122 HD3 ARG 14 HD3 ARG 14 10.773 16.796 -9.075 123 HE ARG 14 HE ARG 14 13.258 18.051 -8.718 124 HH11 ARG 14 HH11 ARG 14 9.996 20.237 -7.945 125 HH12 ARG 14 HH12 ARG 14 9.871 18.827 -8.943 126 HH21 ARG 14 HH21 ARG 14 12.021 20.851 -7.070 127 HH22 ARG 14 HH22 ARG 14 13.433 19.907 -7.403 128 HN MK8 15 HNA MK8 15 12.096 11.579 -9.185 129 HB MK8 15 HB MK8 15 12.153 9.960 -7.245 130 HBA MK8 15 HBA MK8 15 13.222 9.210 -8.390 131 HD MK8 15 HD MK8 15 16.004 9.739 -6.386 132 HDA MK8 15 HDA MK8 15 15.700 8.319 -5.438 133 HE MK8 15 HE MK8 15 15.027 7.323 -7.938 134 HG MK8 15 HG MK8 15 13.698 9.640 -5.393 135 HGA MK8 15 HGA MK8 15 13.394 8.137 -6.204 136 HB1 MK8 15 HB1 MK8 15 14.021 13.182 -6.779 137 HB1A MK8 15 HB1A MK8 15 12.770 12.146 -6.103 138 HB1B MK8 15 HB1B MK8 15 14.478 11.773 -5.836 139 H ALA 16 H ALA 16 14.301 10.103 -9.949 140 HA ALA 16 HA ALA 16 16.948 9.373 -9.780 141 HB1 ALA 16 HB1 ALA 16 15.246 8.710 -11.535 142 HB2 ALA 16 HB2 ALA 16 15.670 10.206 -12.370 143 HB3 ALA 16 HB3 ALA 16 16.897 8.968 -12.101 144 H TYR 17 H TYR 17 15.613 12.380 -11.113 145 HA TYR 17 HA TYR 17 18.059 13.484 -11.954 146 HB2 TYR 17 HB2 TYR 17 15.723 14.257 -12.578 147 HB3 TYR 17 HB3 TYR 17 15.666 15.067 -11.017 148 HD1 TYR 17 HD1 TYR 17 16.455 15.454 -14.413 149 HD2 TYR 17 HD2 TYR 17 17.724 16.660 -10.535 150 HE1 TYR 17 HE1 TYR 17 17.580 17.408 -15.396 151 HE2 TYR 17 HE2 TYR 17 18.852 18.617 -11.508 152 HH TYR 17 HH TYR 17 19.232 19.795 -13.354 153 H SER 18 H SER 18 16.215 13.913 -8.947 154 HA SER 18 HA SER 18 17.875 15.765 -7.704 155 HB2 SER 18 HB2 SER 18 15.576 14.810 -6.961 156 HB3 SER 18 HB3 SER 18 16.532 13.572 -6.145 157 HG SER 18 HG SER 18 17.077 16.316 -5.784 158 HN MK8 19 HNA MK8 19 18.230 12.242 -8.037 159 HB MK8 19 HB MK8 19 20.077 10.278 -8.822 160 HBA MK8 19 HBA MK8 19 20.756 9.690 -7.337 161 HD MK8 19 HD MK8 19 19.105 7.949 -8.496 162 HDA MK8 19 HDA MK8 19 18.893 7.597 -6.806 163 HE MK8 19 HE MK8 19 17.123 6.875 -8.781 164 HG MK8 19 HG MK8 19 18.331 9.857 -6.317 165 HGA MK8 19 HGA MK8 19 17.848 10.173 -7.969 166 HB1 MK8 19 HB1 MK8 19 19.546 11.232 -5.172 167 HB1A MK8 19 HB1A MK8 19 21.270 11.005 -5.495 168 HB1B MK8 19 HB1B MK8 19 20.607 12.607 -5.241 169 H LEU 20 H LEU 20 20.265 12.689 -9.546 170 HA LEU 20 HA LEU 20 22.919 12.959 -10.229 171 HB2 LEU 20 HB2 LEU 20 20.661 13.301 -11.562 172 HB3 LEU 20 HB3 LEU 20 21.004 14.999 -11.236 173 HG LEU 20 HG LEU 20 21.798 14.388 -13.438 174 HD11 LEU 20 HD11 LEU 20 23.892 15.369 -13.308 175 HD12 LEU 20 HD12 LEU 20 24.271 14.599 -11.769 176 HD13 LEU 20 HD13 LEU 20 23.110 15.924 -11.828 177 HD21 LEU 20 HD21 LEU 20 22.134 11.949 -12.802 178 HD22 LEU 20 HD22 LEU 20 23.699 12.444 -12.157 179 HD23 LEU 20 HD23 LEU 20 23.341 12.668 -13.870 180 H GLY 21 H GLY 21 20.774 15.527 -8.988 181 HA2 GLY 21 HA2 GLY 21 22.870 17.450 -8.785 182 HA3 GLY 21 HA3 GLY 21 21.266 17.585 -8.080 183 H LEU 22 H LEU 22 22.253 14.731 -6.962 184 HA LEU 22 HA LEU 22 23.716 15.869 -4.676 185 HB2 LEU 22 HB2 LEU 22 21.109 15.001 -4.592 186 HB3 LEU 22 HB3 LEU 22 22.009 13.592 -4.035 187 HG LEU 22 HG LEU 22 23.012 15.847 -2.642 188 HD11 LEU 22 HD11 LEU 22 20.014 15.635 -2.442 189 HD12 LEU 22 HD12 LEU 22 20.862 16.917 -3.304 190 HD13 LEU 22 HD13 LEU 22 21.074 16.738 -1.564 191 HD21 LEU 22 HD21 LEU 22 21.664 13.282 -2.076 192 HD22 LEU 22 HD22 LEU 22 21.596 14.500 -0.802 193 HD23 LEU 22 HD23 LEU 22 23.157 13.954 -1.417 194 H LYS 23 H LYS 23 24.761 14.506 -6.987 195 HA LYS 23 HA LYS 23 25.896 12.137 -5.655 196 HB2 LYS 23 HB2 LYS 23 24.647 12.389 -8.316 197 HB3 LYS 23 HB3 LYS 23 26.182 11.530 -8.295 198 HG2 LYS 23 HG2 LYS 23 24.336 10.701 -6.188 199 HG3 LYS 23 HG3 LYS 23 23.740 10.416 -7.825 200 HD2 LYS 23 HD2 LYS 23 26.537 9.639 -7.125 201 HD3 LYS 23 HD3 LYS 23 25.198 8.612 -6.608 202 HE2 LYS 23 HE2 LYS 23 24.609 8.065 -8.767 203 HE3 LYS 23 HE3 LYS 23 25.323 9.527 -9.444 204 HZ1 LYS 23 HZ1 LYS 23 27.204 7.733 -8.181 205 HZ2 LYS 23 HZ2 LYS 23 27.314 8.554 -9.654 206 HZ3 LYS 23 HZ3 LYS 23 26.451 7.101 -9.558 207 H ASP 24 H ASP 24 26.371 14.721 -8.016 208 HA ASP 24 HA ASP 24 29.166 14.208 -8.356 209 HB2 ASP 24 HB2 ASP 24 27.314 15.627 -9.771 210 HB3 ASP 24 HB3 ASP 24 28.193 16.921 -8.961 211 H GLN 25 H GLN 25 27.275 16.609 -6.550 212 HA GLN 25 HA GLN 25 29.421 18.071 -5.512 213 HB2 GLN 25 HB2 GLN 25 26.828 18.479 -5.432 214 HB3 GLN 25 HB3 GLN 25 26.943 17.639 -3.891 215 HG2 GLN 25 HG2 GLN 25 28.868 19.831 -4.354 216 HG3 GLN 25 HG3 GLN 25 27.177 20.283 -4.140 217 HE21 GLN 25 HE21 GLN 25 26.100 19.515 -2.202 218 HE22 GLN 25 HE22 GLN 25 27.019 19.312 -0.753 219 H VAL 26 H VAL 26 27.792 15.179 -4.297 220 HA VAL 26 HA VAL 26 29.095 15.038 -1.808 221 HB VAL 26 HB VAL 26 28.041 12.751 -3.475 222 HG11 VAL 26 HG11 VAL 26 29.122 11.588 -1.867 223 HG12 VAL 26 HG12 VAL 26 29.149 12.951 -0.746 224 HG13 VAL 26 HG13 VAL 26 27.684 11.983 -0.926 225 HG21 VAL 26 HG21 VAL 26 26.121 13.095 -1.699 226 HG22 VAL 26 HG22 VAL 26 26.726 14.751 -1.709 227 HG23 VAL 26 HG23 VAL 26 26.152 14.013 -3.204 228 HN1 NH2 27 HN1 NH2 27 29.823 13.409 -4.910 229 HN2 NH2 27 HN2 NH2 27 31.474 13.043 -4.538 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 15.203 32.218 -15.874 2 H2 ACE 1 H2 ACE 1 13.926 32.898 -14.837 3 H3 ACE 1 H3 ACE 1 15.578 32.706 -14.203 4 H LYS 2 H LYS 2 12.751 31.601 -13.650 5 HA LYS 2 HA LYS 2 13.514 28.758 -13.551 6 HB2 LYS 2 HB2 LYS 2 12.102 30.332 -11.391 7 HB3 LYS 2 HB3 LYS 2 12.439 28.607 -11.343 8 HG2 LYS 2 HG2 LYS 2 14.772 30.340 -11.794 9 HG3 LYS 2 HG3 LYS 2 14.001 30.484 -10.212 10 HD2 LYS 2 HD2 LYS 2 14.173 28.037 -9.940 11 HD3 LYS 2 HD3 LYS 2 15.015 27.944 -11.489 12 HE2 LYS 2 HE2 LYS 2 16.029 29.737 -9.317 13 HE3 LYS 2 HE3 LYS 2 16.386 28.011 -9.283 14 HZ1 LYS 2 HZ1 LYS 2 18.121 29.333 -10.385 15 HZ2 LYS 2 HZ2 LYS 2 17.004 29.814 -11.560 16 HZ3 LYS 2 HZ3 LYS 2 17.436 28.184 -11.421 17 H ARG 3 H ARG 3 12.202 27.784 -14.964 18 HA ARG 3 HA ARG 3 9.463 28.692 -15.308 19 HB2 ARG 3 HB2 ARG 3 11.191 26.680 -16.731 20 HB3 ARG 3 HB3 ARG 3 9.463 26.784 -17.035 21 HG2 ARG 3 HG2 ARG 3 9.643 28.960 -17.913 22 HG3 ARG 3 HG3 ARG 3 11.284 29.154 -17.294 23 HD2 ARG 3 HD2 ARG 3 12.211 27.920 -18.972 24 HD3 ARG 3 HD3 ARG 3 10.776 26.913 -19.169 25 HE ARG 3 HE ARG 3 9.986 28.397 -20.724 26 HH11 ARG 3 HH11 ARG 3 12.697 31.252 -19.994 27 HH12 ARG 3 HH12 ARG 3 12.603 29.866 -18.957 28 HH21 ARG 3 HH21 ARG 3 11.272 31.452 -21.776 29 HH22 ARG 3 HH22 ARG 3 10.099 30.218 -22.094 30 H ILE 4 H ILE 4 9.121 28.020 -12.963 31 HA ILE 4 HA ILE 4 9.031 25.323 -12.196 32 HB ILE 4 HB ILE 4 7.253 27.540 -11.175 33 HG12 ILE 4 HG12 ILE 4 9.347 27.126 -9.378 34 HG13 ILE 4 HG13 ILE 4 10.120 27.123 -10.959 35 HG21 ILE 4 HG21 ILE 4 7.805 24.765 -10.334 36 HG22 ILE 4 HG22 ILE 4 7.734 25.972 -9.052 37 HG23 ILE 4 HG23 ILE 4 6.355 25.748 -10.128 38 HD11 ILE 4 HD11 ILE 4 9.317 29.299 -11.443 39 HD12 ILE 4 HD12 ILE 4 8.263 29.291 -10.028 40 HD13 ILE 4 HD13 ILE 4 10.013 29.342 -9.823 41 H GLY 5 H GLY 5 6.250 27.420 -12.997 42 HA2 GLY 5 HA2 GLY 5 4.346 26.938 -14.219 43 HA3 GLY 5 HA3 GLY 5 5.056 25.387 -14.640 44 H VAL 6 H VAL 6 3.558 23.913 -14.142 45 HA VAL 6 HA VAL 6 2.260 24.088 -11.503 46 HB VAL 6 HB VAL 6 1.319 22.479 -13.877 47 HG11 VAL 6 HG11 VAL 6 0.255 21.493 -12.122 48 HG12 VAL 6 HG12 VAL 6 0.329 22.941 -11.118 49 HG13 VAL 6 HG13 VAL 6 -0.864 22.825 -12.411 50 HG21 VAL 6 HG21 VAL 6 0.808 24.486 -14.755 51 HG22 VAL 6 HG22 VAL 6 -0.514 24.463 -13.585 52 HG23 VAL 6 HG23 VAL 6 0.982 25.319 -13.211 53 H ARG 7 H ARG 7 3.740 23.018 -10.240 54 HA ARG 7 HA ARG 7 5.207 20.759 -10.865 55 HB2 ARG 7 HB2 ARG 7 5.399 20.382 -8.456 56 HB3 ARG 7 HB3 ARG 7 5.579 22.087 -8.843 57 HG2 ARG 7 HG2 ARG 7 3.095 22.293 -8.281 58 HG3 ARG 7 HG3 ARG 7 3.265 20.697 -7.546 59 HD2 ARG 7 HD2 ARG 7 4.519 21.476 -5.823 60 HD3 ARG 7 HD3 ARG 7 5.290 22.720 -6.806 61 HE ARG 7 HE ARG 7 2.731 23.586 -6.581 62 HH11 ARG 7 HH11 ARG 7 4.569 23.633 -3.025 63 HH12 ARG 7 HH12 ARG 7 5.150 22.592 -4.283 64 HH21 ARG 7 HH21 ARG 7 2.753 24.978 -3.396 65 HH22 ARG 7 HH22 ARG 7 1.957 24.960 -4.933 66 H LEU 8 H LEU 8 4.930 18.536 -10.449 67 HA LEU 8 HA LEU 8 2.111 17.689 -10.397 68 HB2 LEU 8 HB2 LEU 8 4.513 16.255 -11.523 69 HB3 LEU 8 HB3 LEU 8 2.851 15.667 -11.557 70 HG LEU 8 HG LEU 8 2.399 17.871 -12.885 71 HD11 LEU 8 HD11 LEU 8 4.907 17.718 -14.220 72 HD12 LEU 8 HD12 LEU 8 5.196 18.034 -12.510 73 HD13 LEU 8 HD13 LEU 8 4.151 19.107 -13.440 74 HD21 LEU 8 HD21 LEU 8 2.393 15.392 -13.620 75 HD22 LEU 8 HD22 LEU 8 3.945 15.776 -14.364 76 HD23 LEU 8 HD23 LEU 8 2.492 16.649 -14.853 77 HA PRO 9 HA PRO 9 2.717 15.520 -6.627 78 HB2 PRO 9 HB2 PRO 9 1.022 13.426 -6.959 79 HB3 PRO 9 HB3 PRO 9 0.464 15.076 -6.664 80 HG2 PRO 9 HG2 PRO 9 0.666 13.581 -9.248 81 HG3 PRO 9 HG3 PRO 9 -0.638 14.628 -8.662 82 HD2 PRO 9 HD2 PRO 9 1.218 15.473 -10.441 83 HD3 PRO 9 HD3 PRO 9 0.477 16.558 -9.248 84 H GLY 10 H GLY 10 3.273 13.921 -9.665 85 HA2 GLY 10 HA2 GLY 10 4.394 11.531 -8.507 86 HA3 GLY 10 HA3 GLY 10 4.419 11.980 -10.205 87 H HIS 11 H HIS 11 6.267 11.586 -7.453 88 HA HIS 11 HA HIS 11 8.422 13.280 -8.535 89 HB2 HIS 11 HB2 HIS 11 7.955 12.326 -5.703 90 HB3 HIS 11 HB3 HIS 11 9.385 13.205 -6.234 91 HD1 HIS 11 HD1 HIS 11 5.727 13.937 -6.966 92 HD2 HIS 11 HD2 HIS 11 9.041 15.666 -5.155 93 HE1 HIS 11 HE1 HIS 11 5.005 16.258 -6.321 94 H GLN 12 H GLN 12 7.983 10.818 -9.702 95 HA GLN 12 HA GLN 12 9.903 8.966 -8.520 96 HB2 GLN 12 HB2 GLN 12 7.535 8.594 -9.909 97 HB3 GLN 12 HB3 GLN 12 8.771 8.193 -11.093 98 HG2 GLN 12 HG2 GLN 12 9.220 7.021 -8.453 99 HG3 GLN 12 HG3 GLN 12 7.742 6.480 -9.248 100 HE21 GLN 12 HE21 GLN 12 8.363 4.441 -9.740 101 HE22 GLN 12 HE22 GLN 12 9.650 4.058 -10.827 102 H LYS 13 H LYS 13 9.314 10.404 -11.732 103 HA LYS 13 HA LYS 13 11.781 9.672 -12.844 104 HB2 LYS 13 HB2 LYS 13 9.500 10.907 -13.759 105 HB3 LYS 13 HB3 LYS 13 10.685 12.205 -13.834 106 HG2 LYS 13 HG2 LYS 13 11.031 11.327 -15.885 107 HG3 LYS 13 HG3 LYS 13 12.124 10.278 -14.980 108 HD2 LYS 13 HD2 LYS 13 10.928 8.477 -15.510 109 HD3 LYS 13 HD3 LYS 13 9.446 9.228 -14.918 110 HE2 LYS 13 HE2 LYS 13 8.883 10.066 -16.994 111 HE3 LYS 13 HE3 LYS 13 10.551 10.046 -17.567 112 HZ1 LYS 13 HZ1 LYS 13 10.320 7.985 -18.338 113 HZ2 LYS 13 HZ2 LYS 13 8.653 8.194 -18.147 114 HZ3 LYS 13 HZ3 LYS 13 9.553 7.433 -16.935 115 H ARG 14 H ARG 14 10.771 12.613 -11.150 116 HA ARG 14 HA ARG 14 13.236 13.983 -11.508 117 HB2 ARG 14 HB2 ARG 14 10.852 14.864 -10.833 118 HB3 ARG 14 HB3 ARG 14 11.421 14.554 -9.199 119 HG2 ARG 14 HG2 ARG 14 13.215 16.096 -9.445 120 HG3 ARG 14 HG3 ARG 14 12.907 16.266 -11.175 121 HD2 ARG 14 HD2 ARG 14 10.666 17.200 -10.612 122 HD3 ARG 14 HD3 ARG 14 11.131 17.164 -8.911 123 HE ARG 14 HE ARG 14 12.000 19.044 -10.913 124 HH11 ARG 14 HH11 ARG 14 13.691 18.903 -7.286 125 HH12 ARG 14 HH12 ARG 14 12.699 17.589 -7.828 126 HH21 ARG 14 HH21 ARG 14 14.033 20.718 -8.642 127 HH22 ARG 14 HH22 ARG 14 13.303 20.779 -10.211 128 HN MK8 15 HNA MK8 15 12.150 11.500 -9.216 129 HB MK8 15 HB MK8 15 12.209 9.885 -7.208 130 HBA MK8 15 HBA MK8 15 13.362 9.144 -8.275 131 HD MK8 15 HD MK8 15 16.071 9.779 -6.339 132 HDA MK8 15 HDA MK8 15 15.788 8.390 -5.336 133 HE MK8 15 HE MK8 15 15.046 7.311 -7.780 134 HG MK8 15 HG MK8 15 13.785 9.739 -5.308 135 HGA MK8 15 HGA MK8 15 13.468 8.197 -6.034 136 HB1 MK8 15 HB1 MK8 15 14.528 11.872 -5.851 137 HB1A MK8 15 HB1A MK8 15 13.855 13.207 -6.785 138 HB1B MK8 15 HB1B MK8 15 12.777 12.047 -6.043 139 H ALA 16 H ALA 16 14.303 10.090 -9.926 140 HA ALA 16 HA ALA 16 16.950 9.362 -9.760 141 HB1 ALA 16 HB1 ALA 16 16.924 9.218 -12.217 142 HB2 ALA 16 HB2 ALA 16 15.483 8.510 -11.485 143 HB3 ALA 16 HB3 ALA 16 15.399 10.104 -12.237 144 H TYR 17 H TYR 17 15.611 12.364 -11.102 145 HA TYR 17 HA TYR 17 18.056 13.468 -11.949 146 HB2 TYR 17 HB2 TYR 17 15.716 14.236 -12.573 147 HB3 TYR 17 HB3 TYR 17 15.662 15.051 -11.015 148 HD1 TYR 17 HD1 TYR 17 16.446 15.426 -14.414 149 HD2 TYR 17 HD2 TYR 17 17.719 16.647 -10.541 150 HE1 TYR 17 HE1 TYR 17 17.568 17.378 -15.404 151 HE2 TYR 17 HE2 TYR 17 18.843 18.604 -11.522 152 HH TYR 17 HH TYR 17 18.923 19.915 -13.432 153 H SER 18 H SER 18 16.215 13.906 -8.940 154 HA SER 18 HA SER 18 17.874 15.764 -7.708 155 HB2 SER 18 HB2 SER 18 15.599 14.341 -6.994 156 HB3 SER 18 HB3 SER 18 16.810 13.800 -5.831 157 HG SER 18 HG SER 18 15.921 16.437 -6.342 158 HN MK8 19 HNA MK8 19 18.236 12.239 -8.031 159 HB MK8 19 HB MK8 19 20.076 10.283 -8.815 160 HBA MK8 19 HBA MK8 19 20.777 9.697 -7.340 161 HD MK8 19 HD MK8 19 19.076 7.980 -8.547 162 HDA MK8 19 HDA MK8 19 18.976 7.584 -6.856 163 HE MK8 19 HE MK8 19 17.104 6.842 -8.692 164 HG MK8 19 HG MK8 19 18.377 9.827 -6.284 165 HGA MK8 19 HGA MK8 19 17.854 10.174 -7.922 166 HB1 MK8 19 HB1 MK8 19 19.555 11.251 -5.161 167 HB1A MK8 19 HB1A MK8 19 21.279 11.012 -5.488 168 HB1B MK8 19 HB1B MK8 19 20.624 12.619 -5.243 169 H LEU 20 H LEU 20 20.264 12.683 -9.541 170 HA LEU 20 HA LEU 20 22.919 12.953 -10.228 171 HB2 LEU 20 HB2 LEU 20 20.656 13.288 -11.560 172 HB3 LEU 20 HB3 LEU 20 20.999 14.987 -11.240 173 HG LEU 20 HG LEU 20 21.792 14.370 -13.441 174 HD11 LEU 20 HD11 LEU 20 23.928 15.303 -13.313 175 HD12 LEU 20 HD12 LEU 20 24.238 14.606 -11.722 176 HD13 LEU 20 HD13 LEU 20 23.093 15.937 -11.892 177 HD21 LEU 20 HD21 LEU 20 22.326 11.921 -12.360 178 HD22 LEU 20 HD22 LEU 20 23.942 12.609 -12.526 179 HD23 LEU 20 HD23 LEU 20 22.887 12.481 -13.934 180 H GLY 21 H GLY 21 20.770 15.523 -8.994 181 HA2 GLY 21 HA2 GLY 21 22.867 17.447 -8.799 182 HA3 GLY 21 HA3 GLY 21 21.263 17.585 -8.093 183 H LEU 22 H LEU 22 22.255 14.735 -6.967 184 HA LEU 22 HA LEU 22 23.718 15.883 -4.685 185 HB2 LEU 22 HB2 LEU 22 21.111 15.014 -4.597 186 HB3 LEU 22 HB3 LEU 22 22.012 13.607 -4.033 187 HG LEU 22 HG LEU 22 23.142 15.433 -2.469 188 HD11 LEU 22 HD11 LEU 22 22.113 17.406 -3.057 189 HD12 LEU 22 HD12 LEU 22 21.117 16.879 -1.701 190 HD13 LEU 22 HD13 LEU 22 20.557 16.632 -3.355 191 HD21 LEU 22 HD21 LEU 22 21.915 14.534 -0.747 192 HD22 LEU 22 HD22 LEU 22 21.650 13.331 -2.010 193 HD23 LEU 22 HD23 LEU 22 20.411 14.541 -1.669 194 H LYS 23 H LYS 23 24.761 14.511 -6.993 195 HA LYS 23 HA LYS 23 26.139 12.349 -5.599 196 HB2 LYS 23 HB2 LYS 23 24.352 11.194 -6.767 197 HB3 LYS 23 HB3 LYS 23 24.763 12.010 -8.270 198 HG2 LYS 23 HG2 LYS 23 26.461 10.610 -8.719 199 HG3 LYS 23 HG3 LYS 23 26.954 10.497 -7.029 200 HD2 LYS 23 HD2 LYS 23 24.369 9.266 -7.486 201 HD3 LYS 23 HD3 LYS 23 25.626 8.555 -8.503 202 HE2 LYS 23 HE2 LYS 23 26.976 8.052 -6.591 203 HE3 LYS 23 HE3 LYS 23 25.896 8.953 -5.528 204 HZ1 LYS 23 HZ1 LYS 23 25.777 6.305 -5.914 205 HZ2 LYS 23 HZ2 LYS 23 24.626 6.838 -7.033 206 HZ3 LYS 23 HZ3 LYS 23 24.471 7.249 -5.399 207 H ASP 24 H ASP 24 25.876 14.214 -8.612 208 HA ASP 24 HA ASP 24 28.655 13.823 -9.257 209 HB2 ASP 24 HB2 ASP 24 26.322 14.729 -10.621 210 HB3 ASP 24 HB3 ASP 24 27.542 15.995 -10.733 211 H GLN 25 H GLN 25 26.727 16.224 -7.629 212 HA GLN 25 HA GLN 25 28.682 18.305 -7.718 213 HB2 GLN 25 HB2 GLN 25 26.122 17.857 -6.237 214 HB3 GLN 25 HB3 GLN 25 27.201 19.145 -5.720 215 HG2 GLN 25 HG2 GLN 25 27.115 20.092 -7.991 216 HG3 GLN 25 HG3 GLN 25 25.966 18.836 -8.445 217 HE21 GLN 25 HE21 GLN 25 23.929 19.422 -8.382 218 HE22 GLN 25 HE22 GLN 25 23.247 20.645 -7.371 219 H VAL 26 H VAL 26 27.659 15.983 -5.231 220 HA VAL 26 HA VAL 26 29.398 16.817 -3.205 221 HB VAL 26 HB VAL 26 28.427 13.999 -3.704 222 HG11 VAL 26 HG11 VAL 26 29.498 15.390 -1.256 223 HG12 VAL 26 HG12 VAL 26 28.633 13.853 -1.204 224 HG13 VAL 26 HG13 VAL 26 30.162 13.978 -2.075 225 HG21 VAL 26 HG21 VAL 26 26.571 14.576 -2.205 226 HG22 VAL 26 HG22 VAL 26 27.143 16.243 -2.145 227 HG23 VAL 26 HG23 VAL 26 26.563 15.564 -3.666 228 HN1 NH2 27 HN1 NH2 27 29.784 13.838 -5.162 229 HN2 NH2 27 HN2 NH2 27 31.515 13.883 -5.216 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 12.541 -2.558 10.252 2 H2 ACE 1 H2 ACE 1 10.770 -2.446 10.382 3 H3 ACE 1 H3 ACE 1 11.516 -3.044 8.881 4 H LYS 2 H LYS 2 13.664 -0.983 9.313 5 HA LYS 2 HA LYS 2 12.607 0.992 7.597 6 HB2 LYS 2 HB2 LYS 2 11.539 1.591 9.839 7 HB3 LYS 2 HB3 LYS 2 13.156 2.029 10.375 8 HG2 LYS 2 HG2 LYS 2 12.719 3.305 7.891 9 HG3 LYS 2 HG3 LYS 2 11.287 3.570 8.887 10 HD2 LYS 2 HD2 LYS 2 13.991 3.945 10.092 11 HD3 LYS 2 HD3 LYS 2 13.337 5.198 9.035 12 HE2 LYS 2 HE2 LYS 2 11.708 5.780 10.512 13 HE3 LYS 2 HE3 LYS 2 11.545 4.143 11.144 14 HZ1 LYS 2 HZ1 LYS 2 13.922 4.658 12.069 15 HZ2 LYS 2 HZ2 LYS 2 12.540 5.173 12.898 16 HZ3 LYS 2 HZ3 LYS 2 13.405 6.264 11.935 17 H ARG 3 H ARG 3 14.760 -0.404 7.155 18 HA ARG 3 HA ARG 3 17.063 1.226 7.986 19 HB2 ARG 3 HB2 ARG 3 16.907 -1.600 6.932 20 HB3 ARG 3 HB3 ARG 3 18.418 -0.732 7.168 21 HG2 ARG 3 HG2 ARG 3 17.300 -0.418 9.600 22 HG3 ARG 3 HG3 ARG 3 16.624 -1.980 9.132 23 HD2 ARG 3 HD2 ARG 3 19.151 -2.411 8.419 24 HD3 ARG 3 HD3 ARG 3 19.436 -1.202 9.670 25 HE ARG 3 HE ARG 3 18.832 -2.744 11.258 26 HH11 ARG 3 HH11 ARG 3 17.449 -5.469 8.674 27 HH12 ARG 3 HH12 ARG 3 17.882 -3.890 8.110 28 HH21 ARG 3 HH21 ARG 3 17.667 -5.998 10.892 29 HH22 ARG 3 HH22 ARG 3 18.265 -4.820 12.011 30 H ILE 4 H ILE 4 15.739 -0.463 5.144 31 HA ILE 4 HA ILE 4 17.324 1.290 3.409 32 HB ILE 4 HB ILE 4 15.728 -1.178 2.707 33 HG12 ILE 4 HG12 ILE 4 18.718 -0.765 2.946 34 HG13 ILE 4 HG13 ILE 4 17.715 -1.651 4.089 35 HG21 ILE 4 HG21 ILE 4 15.845 0.360 0.839 36 HG22 ILE 4 HG22 ILE 4 17.591 0.508 1.039 37 HG23 ILE 4 HG23 ILE 4 16.889 -1.030 0.539 38 HD11 ILE 4 HD11 ILE 4 18.226 -3.465 2.924 39 HD12 ILE 4 HD12 ILE 4 17.161 -2.843 1.662 40 HD13 ILE 4 HD13 ILE 4 18.893 -2.514 1.595 41 H GLY 5 H GLY 5 16.311 3.160 3.004 42 HA2 GLY 5 HA2 GLY 5 14.225 3.494 1.305 43 HA3 GLY 5 HA3 GLY 5 13.432 3.330 2.866 44 H VAL 6 H VAL 6 12.995 5.181 3.842 45 HA VAL 6 HA VAL 6 13.050 7.371 4.463 46 HB VAL 6 HB VAL 6 16.015 7.178 3.915 47 HG11 VAL 6 HG11 VAL 6 16.138 9.283 4.604 48 HG12 VAL 6 HG12 VAL 6 14.377 9.343 4.704 49 HG13 VAL 6 HG13 VAL 6 15.325 8.858 6.111 50 HG21 VAL 6 HG21 VAL 6 14.558 6.672 6.505 51 HG22 VAL 6 HG22 VAL 6 15.169 5.407 5.439 52 HG23 VAL 6 HG23 VAL 6 16.290 6.526 6.212 53 H ARG 7 H ARG 7 11.864 7.727 2.416 54 HA ARG 7 HA ARG 7 13.203 9.777 0.861 55 HB2 ARG 7 HB2 ARG 7 12.239 7.182 -0.308 56 HB3 ARG 7 HB3 ARG 7 12.265 8.648 -1.276 57 HG2 ARG 7 HG2 ARG 7 14.693 8.868 -0.750 58 HG3 ARG 7 HG3 ARG 7 14.609 7.283 0.022 59 HD2 ARG 7 HD2 ARG 7 13.632 7.639 -2.782 60 HD3 ARG 7 HD3 ARG 7 15.360 7.480 -2.463 61 HE ARG 7 HE ARG 7 14.035 5.407 -1.137 62 HH11 ARG 7 HH11 ARG 7 14.658 4.876 -5.057 63 HH12 ARG 7 HH12 ARG 7 14.692 6.473 -4.386 64 HH21 ARG 7 HH21 ARG 7 14.257 3.071 -3.703 65 HH22 ARG 7 HH22 ARG 7 13.987 3.301 -2.008 66 H LEU 8 H LEU 8 11.688 10.972 -0.531 67 HA LEU 8 HA LEU 8 9.367 11.707 0.825 68 HB2 LEU 8 HB2 LEU 8 10.584 12.289 -1.786 69 HB3 LEU 8 HB3 LEU 8 8.839 12.524 -1.708 70 HG LEU 8 HG LEU 8 9.600 13.864 0.506 71 HD11 LEU 8 HD11 LEU 8 11.579 15.216 -0.098 72 HD12 LEU 8 HD12 LEU 8 11.866 14.136 -1.462 73 HD13 LEU 8 HD13 LEU 8 11.960 13.518 0.187 74 HD21 LEU 8 HD21 LEU 8 9.868 15.734 -1.555 75 HD22 LEU 8 HD22 LEU 8 8.400 15.317 -0.671 76 HD23 LEU 8 HD23 LEU 8 8.786 14.491 -2.182 77 HA PRO 9 HA PRO 9 6.212 8.911 -0.387 78 HB2 PRO 9 HB2 PRO 9 4.084 10.553 -0.768 79 HB3 PRO 9 HB3 PRO 9 4.740 10.186 0.832 80 HG2 PRO 9 HG2 PRO 9 5.189 12.590 -0.895 81 HG3 PRO 9 HG3 PRO 9 4.895 12.506 0.853 82 HD2 PRO 9 HD2 PRO 9 7.371 12.837 -0.193 83 HD3 PRO 9 HD3 PRO 9 7.085 11.958 1.322 84 H GLY 10 H GLY 10 7.330 8.404 -2.433 85 HA2 GLY 10 HA2 GLY 10 6.877 7.815 -4.651 86 HA3 GLY 10 HA3 GLY 10 5.595 9.017 -4.685 87 H HIS 11 H HIS 11 5.976 10.582 -6.087 88 HA HIS 11 HA HIS 11 7.040 12.114 -7.391 89 HB2 HIS 11 HB2 HIS 11 9.010 12.058 -5.098 90 HB3 HIS 11 HB3 HIS 11 9.020 13.254 -6.390 91 HD1 HIS 11 HD1 HIS 11 6.679 12.023 -3.660 92 HD2 HIS 11 HD2 HIS 11 7.502 15.441 -5.874 93 HE1 HIS 11 HE1 HIS 11 5.214 13.821 -2.690 94 H GLN 12 H GLN 12 7.345 10.030 -8.706 95 HA GLN 12 HA GLN 12 10.028 9.003 -8.867 96 HB2 GLN 12 HB2 GLN 12 7.584 8.587 -10.592 97 HB3 GLN 12 HB3 GLN 12 9.123 7.787 -10.877 98 HG2 GLN 12 HG2 GLN 12 7.933 7.557 -8.174 99 HG3 GLN 12 HG3 GLN 12 7.177 6.659 -9.489 100 HE21 GLN 12 HE21 GLN 12 7.848 4.651 -9.570 101 HE22 GLN 12 HE22 GLN 12 9.446 4.089 -9.230 102 H LYS 13 H LYS 13 10.833 8.803 -11.321 103 HA LYS 13 HA LYS 13 11.753 9.841 -13.128 104 HB2 LYS 13 HB2 LYS 13 9.208 11.121 -12.799 105 HB3 LYS 13 HB3 LYS 13 10.399 12.324 -13.281 106 HG2 LYS 13 HG2 LYS 13 11.038 10.532 -15.078 107 HG3 LYS 13 HG3 LYS 13 9.405 9.939 -14.760 108 HD2 LYS 13 HD2 LYS 13 9.693 12.853 -15.172 109 HD3 LYS 13 HD3 LYS 13 9.964 11.831 -16.585 110 HE2 LYS 13 HE2 LYS 13 7.676 12.323 -16.647 111 HE3 LYS 13 HE3 LYS 13 7.760 10.697 -15.968 112 HZ1 LYS 13 HZ1 LYS 13 6.888 11.385 -14.050 113 HZ2 LYS 13 HZ2 LYS 13 6.424 12.784 -14.880 114 HZ3 LYS 13 HZ3 LYS 13 7.857 12.772 -13.982 115 H ARG 14 H ARG 14 10.770 12.716 -11.283 116 HA ARG 14 HA ARG 14 13.258 13.996 -11.537 117 HB2 ARG 14 HB2 ARG 14 10.885 14.906 -10.864 118 HB3 ARG 14 HB3 ARG 14 11.446 14.585 -9.229 119 HG2 ARG 14 HG2 ARG 14 13.249 16.112 -9.455 120 HG3 ARG 14 HG3 ARG 14 12.973 16.274 -11.192 121 HD2 ARG 14 HD2 ARG 14 12.039 18.211 -10.268 122 HD3 ARG 14 HD3 ARG 14 10.659 17.153 -10.563 123 HE ARG 14 HE ARG 14 11.665 16.829 -7.925 124 HH11 ARG 14 HH11 ARG 14 8.825 19.566 -8.605 125 HH12 ARG 14 HH12 ARG 14 9.755 18.941 -9.928 126 HH21 ARG 14 HH21 ARG 14 9.220 18.829 -6.473 127 HH22 ARG 14 HH22 ARG 14 10.448 17.645 -6.176 128 HN MK8 15 HNA MK8 15 12.072 11.624 -9.164 129 HB MK8 15 HB MK8 15 12.169 9.911 -7.298 130 HBA MK8 15 HBA MK8 15 13.261 9.189 -8.428 131 HD MK8 15 HD MK8 15 16.006 9.729 -6.387 132 HDA MK8 15 HDA MK8 15 15.699 8.316 -5.434 133 HE MK8 15 HE MK8 15 15.040 7.311 -7.947 134 HG MK8 15 HG MK8 15 13.687 9.628 -5.422 135 HGA MK8 15 HGA MK8 15 13.395 8.121 -6.230 136 HB1 MK8 15 HB1 MK8 15 12.750 12.105 -6.126 137 HB1A MK8 15 HB1A MK8 15 14.462 11.750 -5.846 138 HB1B MK8 15 HB1B MK8 15 13.992 13.161 -6.782 139 H ALA 16 H ALA 16 14.314 10.112 -9.975 140 HA ALA 16 HA ALA 16 16.961 9.378 -9.803 141 HB1 ALA 16 HB1 ALA 16 15.471 10.168 -12.305 142 HB2 ALA 16 HB2 ALA 16 16.945 9.200 -12.236 143 HB3 ALA 16 HB3 ALA 16 15.448 8.576 -11.545 144 H TYR 17 H TYR 17 15.631 12.391 -11.132 145 HA TYR 17 HA TYR 17 18.082 13.500 -11.952 146 HB2 TYR 17 HB2 TYR 17 15.740 14.272 -12.579 147 HB3 TYR 17 HB3 TYR 17 15.688 15.085 -11.020 148 HD1 TYR 17 HD1 TYR 17 16.466 15.468 -14.417 149 HD2 TYR 17 HD2 TYR 17 17.761 16.667 -10.545 150 HE1 TYR 17 HE1 TYR 17 17.596 17.416 -15.405 151 HE2 TYR 17 HE2 TYR 17 18.894 18.619 -11.523 152 HH TYR 17 HH TYR 17 19.469 18.945 -14.828 153 H SER 18 H SER 18 16.221 13.916 -8.953 154 HA SER 18 HA SER 18 17.871 15.764 -7.693 155 HB2 SER 18 HB2 SER 18 15.566 14.752 -6.978 156 HB3 SER 18 HB3 SER 18 16.557 13.574 -6.117 157 HG SER 18 HG SER 18 16.647 15.049 -4.627 158 HN MK8 19 HNA MK8 19 18.239 12.261 -8.065 159 HB MK8 19 HB MK8 19 20.061 10.285 -8.823 160 HBA MK8 19 HBA MK8 19 20.749 9.687 -7.346 161 HD MK8 19 HD MK8 19 19.106 7.949 -8.519 162 HDA MK8 19 HDA MK8 19 18.929 7.578 -6.830 163 HE MK8 19 HE MK8 19 17.131 6.862 -8.788 164 HG MK8 19 HG MK8 19 18.313 9.844 -6.322 165 HGA MK8 19 HGA MK8 19 17.839 10.145 -7.983 166 HB1 MK8 19 HB1 MK8 19 21.255 10.997 -5.492 167 HB1A MK8 19 HB1A MK8 19 20.625 12.609 -5.250 168 HB1B MK8 19 HB1B MK8 19 19.536 11.255 -5.161 169 H LEU 20 H LEU 20 20.264 12.682 -9.539 170 HA LEU 20 HA LEU 20 22.918 12.950 -10.222 171 HB2 LEU 20 HB2 LEU 20 20.655 13.290 -11.555 172 HB3 LEU 20 HB3 LEU 20 21.009 14.987 -11.239 173 HG LEU 20 HG LEU 20 21.795 14.354 -13.440 174 HD11 LEU 20 HD11 LEU 20 23.129 15.870 -11.789 175 HD12 LEU 20 HD12 LEU 20 23.850 15.378 -13.321 176 HD13 LEU 20 HD13 LEU 20 24.300 14.551 -11.830 177 HD21 LEU 20 HD21 LEU 20 23.223 12.589 -13.895 178 HD22 LEU 20 HD22 LEU 20 22.154 11.907 -12.668 179 HD23 LEU 20 HD23 LEU 20 23.769 12.463 -12.222 180 H GLY 21 H GLY 21 20.770 15.518 -8.987 181 HA2 GLY 21 HA2 GLY 21 22.865 17.445 -8.793 182 HA3 GLY 21 HA3 GLY 21 21.262 17.580 -8.089 183 H LEU 22 H LEU 22 22.254 14.731 -6.961 184 HA LEU 22 HA LEU 22 23.716 15.878 -4.679 185 HB2 LEU 22 HB2 LEU 22 21.108 15.010 -4.592 186 HB3 LEU 22 HB3 LEU 22 22.008 13.605 -4.027 187 HG LEU 22 HG LEU 22 21.269 14.926 -2.146 188 HD11 LEU 22 HD11 LEU 22 24.232 15.271 -2.573 189 HD12 LEU 22 HD12 LEU 22 23.448 13.795 -2.012 190 HD13 LEU 22 HD13 LEU 22 23.387 15.256 -1.025 191 HD21 LEU 22 HD21 LEU 22 21.381 17.085 -3.649 192 HD22 LEU 22 HD22 LEU 22 22.986 17.228 -2.930 193 HD23 LEU 22 HD23 LEU 22 21.557 17.182 -1.897 194 H LYS 23 H LYS 23 24.759 14.505 -6.986 195 HA LYS 23 HA LYS 23 26.230 12.429 -5.597 196 HB2 LYS 23 HB2 LYS 23 24.334 11.185 -6.517 197 HB3 LYS 23 HB3 LYS 23 24.670 11.832 -8.118 198 HG2 LYS 23 HG2 LYS 23 26.805 10.665 -8.158 199 HG3 LYS 23 HG3 LYS 23 26.505 10.043 -6.534 200 HD2 LYS 23 HD2 LYS 23 24.296 9.491 -8.328 201 HD3 LYS 23 HD3 LYS 23 25.815 8.826 -8.931 202 HE2 LYS 23 HE2 LYS 23 24.944 7.121 -7.599 203 HE3 LYS 23 HE3 LYS 23 26.129 7.909 -6.558 204 HZ1 LYS 23 HZ1 LYS 23 23.721 7.370 -5.717 205 HZ2 LYS 23 HZ2 LYS 23 23.358 8.849 -6.453 206 HZ3 LYS 23 HZ3 LYS 23 24.520 8.779 -5.226 207 H ASP 24 H ASP 24 25.654 14.113 -8.662 208 HA ASP 24 HA ASP 24 28.456 13.785 -9.408 209 HB2 ASP 24 HB2 ASP 24 26.277 13.652 -10.948 210 HB3 ASP 24 HB3 ASP 24 26.584 15.381 -11.083 211 H GLN 25 H GLN 25 26.206 16.227 -8.321 212 HA GLN 25 HA GLN 25 27.826 18.484 -8.910 213 HB2 GLN 25 HB2 GLN 25 25.250 18.042 -7.911 214 HB3 GLN 25 HB3 GLN 25 26.100 18.879 -6.619 215 HG2 GLN 25 HG2 GLN 25 24.999 20.488 -8.006 216 HG3 GLN 25 HG3 GLN 25 26.741 20.636 -8.226 217 HE21 GLN 25 HE21 GLN 25 23.852 19.168 -9.628 218 HE22 GLN 25 HE22 GLN 25 24.389 19.251 -11.268 219 H VAL 26 H VAL 26 27.502 16.379 -6.104 220 HA VAL 26 HA VAL 26 28.905 17.821 -4.207 221 HB VAL 26 HB VAL 26 27.730 15.666 -3.785 222 HG11 VAL 26 HG11 VAL 26 28.434 13.663 -4.563 223 HG12 VAL 26 HG12 VAL 26 29.146 14.661 -5.833 224 HG13 VAL 26 HG13 VAL 26 30.138 14.107 -4.484 225 HG21 VAL 26 HG21 VAL 26 30.535 15.353 -2.806 226 HG22 VAL 26 HG22 VAL 26 29.593 16.763 -2.324 227 HG23 VAL 26 HG23 VAL 26 29.014 15.142 -1.939 228 HN1 NH2 27 HN1 NH2 27 31.053 18.015 -3.601 229 HN2 NH2 27 HN2 NH2 27 32.371 17.598 -4.643 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 27.068 26.759 6.690 2 H2 ACE 1 H2 ACE 1 27.246 28.268 5.762 3 H3 ACE 1 H3 ACE 1 25.761 27.970 6.699 4 H LYS 2 H LYS 2 24.213 26.651 5.922 5 HA LYS 2 HA LYS 2 23.911 26.483 3.141 6 HB2 LYS 2 HB2 LYS 2 25.575 24.480 4.044 7 HB3 LYS 2 HB3 LYS 2 24.006 23.689 4.006 8 HG2 LYS 2 HG2 LYS 2 23.914 24.827 1.612 9 HG3 LYS 2 HG3 LYS 2 25.669 24.724 1.785 10 HD2 LYS 2 HD2 LYS 2 24.167 22.294 2.514 11 HD3 LYS 2 HD3 LYS 2 24.123 22.735 0.805 12 HE2 LYS 2 HE2 LYS 2 26.720 22.688 2.295 13 HE3 LYS 2 HE3 LYS 2 26.018 21.192 1.678 14 HZ1 LYS 2 HZ1 LYS 2 25.922 22.315 -0.536 15 HZ2 LYS 2 HZ2 LYS 2 27.484 22.010 0.035 16 HZ3 LYS 2 HZ3 LYS 2 26.844 23.573 0.119 17 H ARG 3 H ARG 3 21.804 26.867 3.057 18 HA ARG 3 HA ARG 3 19.981 26.307 5.119 19 HB2 ARG 3 HB2 ARG 3 19.657 27.063 2.228 20 HB3 ARG 3 HB3 ARG 3 18.257 26.720 3.236 21 HG2 ARG 3 HG2 ARG 3 20.337 28.786 3.911 22 HG3 ARG 3 HG3 ARG 3 18.842 29.135 3.040 23 HD2 ARG 3 HD2 ARG 3 17.634 29.118 4.917 24 HD3 ARG 3 HD3 ARG 3 18.375 27.616 5.470 25 HE ARG 3 HE ARG 3 20.220 29.691 5.810 26 HH11 ARG 3 HH11 ARG 3 17.411 29.328 8.638 27 HH12 ARG 3 HH12 ARG 3 17.155 28.629 7.074 28 HH21 ARG 3 HH21 ARG 3 19.353 30.457 9.088 29 HH22 ARG 3 HH22 ARG 3 20.569 30.616 7.866 30 H ILE 4 H ILE 4 17.978 24.968 4.837 31 HA ILE 4 HA ILE 4 18.100 22.678 3.116 32 HB ILE 4 HB ILE 4 19.700 21.990 4.859 33 HG12 ILE 4 HG12 ILE 4 17.284 20.321 5.383 34 HG13 ILE 4 HG13 ILE 4 17.835 20.478 3.718 35 HG21 ILE 4 HG21 ILE 4 17.716 21.594 6.953 36 HG22 ILE 4 HG22 ILE 4 19.352 22.243 7.050 37 HG23 ILE 4 HG23 ILE 4 18.012 23.294 6.592 38 HD11 ILE 4 HD11 ILE 4 18.834 18.805 5.790 39 HD12 ILE 4 HD12 ILE 4 19.312 18.883 4.094 40 HD13 ILE 4 HD13 ILE 4 20.106 19.916 5.283 41 H GLY 5 H GLY 5 16.097 21.941 2.735 42 HA2 GLY 5 HA2 GLY 5 14.017 21.449 4.385 43 HA3 GLY 5 HA3 GLY 5 13.889 23.184 4.131 44 H VAL 6 H VAL 6 14.065 20.093 2.404 45 HA VAL 6 HA VAL 6 12.492 21.318 0.231 46 HB VAL 6 HB VAL 6 14.721 20.504 -0.472 47 HG11 VAL 6 HG11 VAL 6 14.670 18.596 1.239 48 HG12 VAL 6 HG12 VAL 6 13.745 17.710 0.024 49 HG13 VAL 6 HG13 VAL 6 15.379 18.265 -0.342 50 HG21 VAL 6 HG21 VAL 6 13.933 19.853 -2.483 51 HG22 VAL 6 HG22 VAL 6 12.925 18.579 -1.796 52 HG23 VAL 6 HG23 VAL 6 12.369 20.253 -1.772 53 H ARG 7 H ARG 7 10.575 20.438 -0.327 54 HA ARG 7 HA ARG 7 9.845 17.780 0.596 55 HB2 ARG 7 HB2 ARG 7 9.273 19.582 2.379 56 HB3 ARG 7 HB3 ARG 7 7.987 20.039 1.271 57 HG2 ARG 7 HG2 ARG 7 7.268 17.603 1.341 58 HG3 ARG 7 HG3 ARG 7 8.361 17.438 2.716 59 HD2 ARG 7 HD2 ARG 7 6.219 19.544 2.599 60 HD3 ARG 7 HD3 ARG 7 5.919 17.927 3.235 61 HE ARG 7 HE ARG 7 8.180 19.241 4.429 62 HH11 ARG 7 HH11 ARG 7 4.601 19.220 6.223 63 HH12 ARG 7 HH12 ARG 7 4.728 18.803 4.546 64 HH21 ARG 7 HH21 ARG 7 6.478 19.783 7.412 65 HH22 ARG 7 HH22 ARG 7 8.026 19.791 6.637 66 H LEU 8 H LEU 8 9.340 16.955 -1.343 67 HA LEU 8 HA LEU 8 7.729 18.535 -3.205 68 HB2 LEU 8 HB2 LEU 8 9.617 16.287 -3.435 69 HB3 LEU 8 HB3 LEU 8 8.231 16.227 -4.522 70 HG LEU 8 HG LEU 8 8.879 18.544 -5.284 71 HD11 LEU 8 HD11 LEU 8 11.502 18.767 -4.876 72 HD12 LEU 8 HD12 LEU 8 11.055 17.985 -3.359 73 HD13 LEU 8 HD13 LEU 8 10.306 19.514 -3.817 74 HD21 LEU 8 HD21 LEU 8 11.165 17.356 -6.271 75 HD22 LEU 8 HD22 LEU 8 9.547 17.243 -6.965 76 HD23 LEU 8 HD23 LEU 8 10.127 15.988 -5.868 77 HA PRO 9 HA PRO 9 3.996 16.315 -2.575 78 HB2 PRO 9 HB2 PRO 9 3.038 16.047 -5.100 79 HB3 PRO 9 HB3 PRO 9 3.064 17.592 -4.242 80 HG2 PRO 9 HG2 PRO 9 4.968 16.534 -6.296 81 HG3 PRO 9 HG3 PRO 9 4.282 18.163 -6.139 82 HD2 PRO 9 HD2 PRO 9 6.786 17.550 -5.312 83 HD3 PRO 9 HD3 PRO 9 5.786 18.774 -4.504 84 H GLY 10 H GLY 10 6.092 14.996 -5.112 85 HA2 GLY 10 HA2 GLY 10 6.640 12.553 -4.379 86 HA3 GLY 10 HA3 GLY 10 4.925 12.337 -4.695 87 H HIS 11 H HIS 11 8.032 13.107 -6.144 88 HA HIS 11 HA HIS 11 6.889 12.587 -8.803 89 HB2 HIS 11 HB2 HIS 11 9.338 14.096 -7.912 90 HB3 HIS 11 HB3 HIS 11 9.125 13.582 -9.583 91 HD1 HIS 11 HD1 HIS 11 6.895 15.383 -7.064 92 HD2 HIS 11 HD2 HIS 11 8.133 15.628 -11.022 93 HE1 HIS 11 HE1 HIS 11 5.732 17.403 -8.007 94 H GLN 12 H GLN 12 7.795 11.061 -10.165 95 HA GLN 12 HA GLN 12 9.523 9.099 -8.829 96 HB2 GLN 12 HB2 GLN 12 7.231 8.900 -10.597 97 HB3 GLN 12 HB3 GLN 12 8.595 7.972 -11.207 98 HG2 GLN 12 HG2 GLN 12 8.045 7.638 -8.343 99 HG3 GLN 12 HG3 GLN 12 6.783 7.054 -9.428 100 HE21 GLN 12 HE21 GLN 12 10.335 7.041 -9.326 101 HE22 GLN 12 HE22 GLN 12 10.508 5.364 -9.704 102 H LYS 13 H LYS 13 9.293 11.222 -11.573 103 HA LYS 13 HA LYS 13 11.609 10.087 -12.893 104 HB2 LYS 13 HB2 LYS 13 9.470 11.372 -13.876 105 HB3 LYS 13 HB3 LYS 13 10.550 12.748 -13.687 106 HG2 LYS 13 HG2 LYS 13 10.783 11.936 -15.908 107 HG3 LYS 13 HG3 LYS 13 12.250 11.506 -15.025 108 HD2 LYS 13 HD2 LYS 13 11.911 9.442 -15.827 109 HD3 LYS 13 HD3 LYS 13 10.646 9.324 -14.601 110 HE2 LYS 13 HE2 LYS 13 10.078 10.480 -17.307 111 HE3 LYS 13 HE3 LYS 13 10.067 8.738 -17.047 112 HZ1 LYS 13 HZ1 LYS 13 8.029 10.557 -16.514 113 HZ2 LYS 13 HZ2 LYS 13 8.571 9.985 -15.018 114 HZ3 LYS 13 HZ3 LYS 13 8.043 8.895 -16.198 115 H ARG 14 H ARG 14 10.808 12.904 -10.939 116 HA ARG 14 HA ARG 14 13.353 14.166 -11.254 117 HB2 ARG 14 HB2 ARG 14 10.983 15.092 -10.452 118 HB3 ARG 14 HB3 ARG 14 11.662 14.734 -8.871 119 HG2 ARG 14 HG2 ARG 14 13.534 16.194 -9.295 120 HG3 ARG 14 HG3 ARG 14 12.972 16.481 -10.942 121 HD2 ARG 14 HD2 ARG 14 11.304 17.125 -8.526 122 HD3 ARG 14 HD3 ARG 14 12.445 18.275 -9.222 123 HE ARG 14 HE ARG 14 9.868 17.594 -10.233 124 HH11 ARG 14 HH11 ARG 14 12.557 19.313 -12.650 125 HH12 ARG 14 HH12 ARG 14 13.075 18.571 -11.171 126 HH21 ARG 14 HH21 ARG 14 10.339 19.310 -13.221 127 HH22 ARG 14 HH22 ARG 14 9.174 18.567 -12.177 128 HN MK8 15 HNA MK8 15 12.321 11.424 -9.392 129 HB MK8 15 HB MK8 15 12.383 9.700 -7.043 130 HBA MK8 15 HBA MK8 15 12.795 9.300 -8.680 131 HD MK8 15 HD MK8 15 15.692 9.648 -6.198 132 HDA MK8 15 HDA MK8 15 14.453 8.982 -5.163 133 HE MK8 15 HE MK8 15 15.614 6.893 -4.994 134 HG MK8 15 HG MK8 15 13.556 7.605 -7.017 135 HGA MK8 15 HGA MK8 15 14.812 8.153 -8.083 136 HB1 MK8 15 HB1 MK8 15 14.136 12.818 -6.631 137 HB1A MK8 15 HB1A MK8 15 12.753 11.836 -6.219 138 HB1B MK8 15 HB1B MK8 15 14.373 11.307 -5.799 139 H ALA 16 H ALA 16 14.523 9.784 -9.974 140 HA ALA 16 HA ALA 16 17.181 9.218 -9.780 141 HB1 ALA 16 HB1 ALA 16 15.833 9.982 -12.364 142 HB2 ALA 16 HB2 ALA 16 17.221 8.915 -12.155 143 HB3 ALA 16 HB3 ALA 16 15.635 8.423 -11.564 144 H TYR 17 H TYR 17 15.791 12.138 -11.267 145 HA TYR 17 HA TYR 17 18.228 13.339 -11.970 146 HB2 TYR 17 HB2 TYR 17 15.838 13.969 -12.689 147 HB3 TYR 17 HB3 TYR 17 15.774 14.901 -11.196 148 HD1 TYR 17 HD1 TYR 17 16.481 15.076 -14.603 149 HD2 TYR 17 HD2 TYR 17 17.900 16.490 -10.850 150 HE1 TYR 17 HE1 TYR 17 17.591 16.954 -15.738 151 HE2 TYR 17 HE2 TYR 17 19.013 18.374 -11.974 152 HH TYR 17 HH TYR 17 19.235 18.569 -15.446 153 H SER 18 H SER 18 16.241 13.625 -9.051 154 HA SER 18 HA SER 18 17.708 15.621 -7.761 155 HB2 SER 18 HB2 SER 18 15.451 14.701 -7.073 156 HB3 SER 18 HB3 SER 18 16.310 13.329 -6.371 157 HG SER 18 HG SER 18 16.871 16.022 -5.693 158 HN MK8 19 HNA MK8 19 18.190 12.095 -7.882 159 HB MK8 19 HB MK8 19 19.510 10.149 -8.391 160 HBA MK8 19 HBA MK8 19 20.760 9.684 -7.281 161 HD MK8 19 HD MK8 19 17.343 8.738 -7.814 162 HDA MK8 19 HDA MK8 19 18.771 7.744 -7.607 163 HE MK8 19 HE MK8 19 17.851 6.631 -5.724 164 HG MK8 19 HG MK8 19 19.266 9.226 -5.513 165 HGA MK8 19 HGA MK8 19 18.007 10.286 -6.123 166 HB1 MK8 19 HB1 MK8 19 21.176 11.063 -5.225 167 HB1A MK8 19 HB1A MK8 19 20.763 12.759 -5.201 168 HB1B MK8 19 HB1B MK8 19 19.515 11.590 -4.891 169 H LEU 20 H LEU 20 20.211 12.496 -9.404 170 HA LEU 20 HA LEU 20 22.856 12.764 -10.124 171 HB2 LEU 20 HB2 LEU 20 20.551 12.992 -11.441 172 HB3 LEU 20 HB3 LEU 20 20.937 14.705 -11.283 173 HG LEU 20 HG LEU 20 21.672 13.855 -13.431 174 HD11 LEU 20 HD11 LEU 20 24.270 14.129 -12.067 175 HD12 LEU 20 HD12 LEU 20 23.107 15.423 -11.787 176 HD13 LEU 20 HD13 LEU 20 23.601 15.022 -13.432 177 HD21 LEU 20 HD21 LEU 20 22.302 11.548 -12.008 178 HD22 LEU 20 HD22 LEU 20 23.858 12.203 -12.517 179 HD23 LEU 20 HD23 LEU 20 22.612 11.860 -13.716 180 H GLY 21 H GLY 21 20.666 15.363 -9.039 181 HA2 GLY 21 HA2 GLY 21 22.725 17.341 -9.001 182 HA3 GLY 21 HA3 GLY 21 21.123 17.495 -8.295 183 H LEU 22 H LEU 22 22.191 14.747 -6.988 184 HA LEU 22 HA LEU 22 23.579 16.098 -4.771 185 HB2 LEU 22 HB2 LEU 22 21.053 14.895 -4.712 186 HB3 LEU 22 HB3 LEU 22 22.138 13.757 -3.916 187 HG LEU 22 HG LEU 22 21.677 16.634 -3.133 188 HD11 LEU 22 HD11 LEU 22 21.102 14.889 -1.031 189 HD12 LEU 22 HD12 LEU 22 20.351 14.173 -2.456 190 HD13 LEU 22 HD13 LEU 22 19.956 15.827 -1.990 191 HD21 LEU 22 HD21 LEU 22 23.918 16.196 -2.598 192 HD22 LEU 22 HD22 LEU 22 23.570 14.536 -2.115 193 HD23 LEU 22 HD23 LEU 22 23.033 15.879 -1.106 194 H LYS 23 H LYS 23 24.593 14.569 -7.094 195 HA LYS 23 HA LYS 23 26.028 12.482 -5.589 196 HB2 LYS 23 HB2 LYS 23 24.432 11.472 -7.176 197 HB3 LYS 23 HB3 LYS 23 25.190 12.357 -8.493 198 HG2 LYS 23 HG2 LYS 23 27.325 11.164 -7.941 199 HG3 LYS 23 HG3 LYS 23 26.391 10.162 -6.827 200 HD2 LYS 23 HD2 LYS 23 25.639 10.466 -9.722 201 HD3 LYS 23 HD3 LYS 23 26.785 9.240 -9.172 202 HE2 LYS 23 HE2 LYS 23 25.105 7.917 -8.578 203 HE3 LYS 23 HE3 LYS 23 24.497 9.157 -7.483 204 HZ1 LYS 23 HZ1 LYS 23 22.760 8.700 -8.969 205 HZ2 LYS 23 HZ2 LYS 23 23.776 8.721 -10.320 206 HZ3 LYS 23 HZ3 LYS 23 23.417 10.162 -9.512 207 H ASP 24 H ASP 24 26.120 14.741 -8.314 208 HA ASP 24 HA ASP 24 29.006 14.497 -8.528 209 HB2 ASP 24 HB2 ASP 24 27.010 15.097 -10.343 210 HB3 ASP 24 HB3 ASP 24 27.761 16.661 -10.045 211 H GLN 25 H GLN 25 26.625 16.668 -7.202 212 HA GLN 25 HA GLN 25 28.480 18.829 -6.780 213 HB2 GLN 25 HB2 GLN 25 25.916 18.973 -7.087 214 HB3 GLN 25 HB3 GLN 25 25.834 18.537 -5.385 215 HG2 GLN 25 HG2 GLN 25 25.695 20.898 -5.532 216 HG3 GLN 25 HG3 GLN 25 27.285 20.498 -4.885 217 HE21 GLN 25 HE21 GLN 25 27.648 22.762 -5.604 218 HE22 GLN 25 HE22 GLN 25 28.184 23.010 -7.228 219 H VAL 26 H VAL 26 27.218 16.136 -4.933 220 HA VAL 26 HA VAL 26 27.914 16.899 -2.354 221 HB VAL 26 HB VAL 26 26.610 14.862 -2.924 222 HG11 VAL 26 HG11 VAL 26 28.966 13.161 -3.217 223 HG12 VAL 26 HG12 VAL 26 27.437 13.143 -4.096 224 HG13 VAL 26 HG13 VAL 26 28.714 14.261 -4.573 225 HG21 VAL 26 HG21 VAL 26 27.894 15.314 -0.716 226 HG22 VAL 26 HG22 VAL 26 27.225 13.709 -1.011 227 HG23 VAL 26 HG23 VAL 26 28.946 14.006 -1.260 228 HN1 NH2 27 HN1 NH2 27 29.751 16.854 -1.130 229 HN2 NH2 27 HN2 NH2 27 31.327 16.501 -1.756 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -2.867 16.665 -19.852 2 H2 ACE 1 H2 ACE 1 -1.314 16.334 -19.050 3 H3 ACE 1 H3 ACE 1 -1.364 17.367 -20.497 4 H LYS 2 H LYS 2 -0.605 16.416 -22.187 5 HA LYS 2 HA LYS 2 -1.123 13.539 -22.567 6 HB2 LYS 2 HB2 LYS 2 -1.002 15.792 -24.565 7 HB3 LYS 2 HB3 LYS 2 -0.844 14.108 -25.049 8 HG2 LYS 2 HG2 LYS 2 -3.180 14.903 -23.388 9 HG3 LYS 2 HG3 LYS 2 -3.162 15.329 -25.100 10 HD2 LYS 2 HD2 LYS 2 -2.396 12.554 -24.486 11 HD3 LYS 2 HD3 LYS 2 -4.073 12.971 -24.122 12 HE2 LYS 2 HE2 LYS 2 -4.628 13.080 -26.286 13 HE3 LYS 2 HE3 LYS 2 -3.169 13.975 -26.707 14 HZ1 LYS 2 HZ1 LYS 2 -2.866 11.143 -26.067 15 HZ2 LYS 2 HZ2 LYS 2 -2.041 12.089 -27.202 16 HZ3 LYS 2 HZ3 LYS 2 -3.598 11.525 -27.544 17 H ARG 3 H ARG 3 1.120 16.099 -23.642 18 HA ARG 3 HA ARG 3 3.251 14.121 -23.861 19 HB2 ARG 3 HB2 ARG 3 3.217 17.059 -24.574 20 HB3 ARG 3 HB3 ARG 3 4.541 15.947 -24.896 21 HG2 ARG 3 HG2 ARG 3 2.666 14.601 -26.156 22 HG3 ARG 3 HG3 ARG 3 1.893 16.185 -26.224 23 HD2 ARG 3 HD2 ARG 3 3.940 17.108 -27.240 24 HD3 ARG 3 HD3 ARG 3 4.656 15.497 -27.221 25 HE ARG 3 HE ARG 3 2.163 15.501 -28.582 26 HH11 ARG 3 HH11 ARG 3 5.512 16.225 -30.653 27 HH12 ARG 3 HH12 ARG 3 5.512 16.386 -28.928 28 HH21 ARG 3 HH21 ARG 3 3.598 15.599 -31.747 29 HH22 ARG 3 HH22 ARG 3 2.150 15.284 -30.853 30 H ILE 4 H ILE 4 2.931 17.382 -22.441 31 HA ILE 4 HA ILE 4 3.980 16.594 -19.926 32 HB ILE 4 HB ILE 4 6.070 16.523 -21.283 33 HG12 ILE 4 HG12 ILE 4 6.368 18.837 -19.416 34 HG13 ILE 4 HG13 ILE 4 5.775 17.310 -18.768 35 HG21 ILE 4 HG21 ILE 4 5.170 18.623 -22.622 36 HG22 ILE 4 HG22 ILE 4 6.111 19.489 -21.409 37 HG23 ILE 4 HG23 ILE 4 6.894 18.300 -22.449 38 HD11 ILE 4 HD11 ILE 4 7.880 16.376 -20.073 39 HD12 ILE 4 HD12 ILE 4 8.450 18.023 -19.806 40 HD13 ILE 4 HD13 ILE 4 7.993 17.016 -18.434 41 H GLY 5 H GLY 5 3.750 18.188 -18.379 42 HA2 GLY 5 HA2 GLY 5 2.305 20.573 -19.292 43 HA3 GLY 5 HA3 GLY 5 2.291 19.922 -17.660 44 H VAL 6 H VAL 6 3.370 21.073 -16.216 45 HA VAL 6 HA VAL 6 5.708 22.623 -17.119 46 HB VAL 6 HB VAL 6 3.748 23.508 -14.998 47 HG11 VAL 6 HG11 VAL 6 4.970 25.715 -15.418 48 HG12 VAL 6 HG12 VAL 6 5.829 24.471 -14.508 49 HG13 VAL 6 HG13 VAL 6 6.205 24.738 -16.211 50 HG21 VAL 6 HG21 VAL 6 3.199 25.289 -16.732 51 HG22 VAL 6 HG22 VAL 6 3.979 24.230 -17.907 52 HG23 VAL 6 HG23 VAL 6 2.558 23.671 -17.022 53 H ARG 7 H ARG 7 7.032 20.869 -16.409 54 HA ARG 7 HA ARG 7 8.362 19.757 -14.936 55 HB2 ARG 7 HB2 ARG 7 7.987 22.418 -13.877 56 HB3 ARG 7 HB3 ARG 7 8.197 21.259 -12.571 57 HG2 ARG 7 HG2 ARG 7 10.333 20.686 -13.247 58 HG3 ARG 7 HG3 ARG 7 10.073 21.259 -14.895 59 HD2 ARG 7 HD2 ARG 7 9.813 23.315 -12.814 60 HD3 ARG 7 HD3 ARG 7 11.427 22.621 -12.968 61 HE ARG 7 HE ARG 7 10.144 24.401 -14.791 62 HH11 ARG 7 HH11 ARG 7 13.261 22.204 -16.015 63 HH12 ARG 7 HH12 ARG 7 12.409 21.764 -14.572 64 HH21 ARG 7 HH21 ARG 7 12.606 24.039 -17.221 65 HH22 ARG 7 HH22 ARG 7 11.258 24.989 -16.694 66 H LEU 8 H LEU 8 7.172 17.904 -14.629 67 HA LEU 8 HA LEU 8 4.868 17.561 -13.154 68 HB2 LEU 8 HB2 LEU 8 5.806 15.194 -12.761 69 HB3 LEU 8 HB3 LEU 8 5.490 15.727 -14.411 70 HG LEU 8 HG LEU 8 8.232 16.218 -13.507 71 HD11 LEU 8 HD11 LEU 8 7.495 13.362 -14.025 72 HD12 LEU 8 HD12 LEU 8 7.518 14.019 -12.390 73 HD13 LEU 8 HD13 LEU 8 8.990 14.023 -13.362 74 HD21 LEU 8 HD21 LEU 8 7.568 14.538 -15.847 75 HD22 LEU 8 HD22 LEU 8 8.709 15.874 -15.694 76 HD23 LEU 8 HD23 LEU 8 6.985 16.203 -15.874 77 HA PRO 9 HA PRO 9 5.862 17.965 -8.898 78 HB2 PRO 9 HB2 PRO 9 4.320 16.030 -7.780 79 HB3 PRO 9 HB3 PRO 9 3.652 17.524 -8.450 80 HG2 PRO 9 HG2 PRO 9 3.811 14.799 -9.680 81 HG3 PRO 9 HG3 PRO 9 2.466 15.956 -9.692 82 HD2 PRO 9 HD2 PRO 9 4.136 15.641 -11.800 83 HD3 PRO 9 HD3 PRO 9 3.386 17.200 -11.398 84 H GLY 10 H GLY 10 5.830 14.572 -9.997 85 HA2 GLY 10 HA2 GLY 10 8.485 14.091 -9.119 86 HA3 GLY 10 HA3 GLY 10 7.338 13.454 -7.949 87 H HIS 11 H HIS 11 5.692 11.936 -8.785 88 HA HIS 11 HA HIS 11 5.230 9.919 -9.741 89 HB2 HIS 11 HB2 HIS 11 6.262 11.422 -12.152 90 HB3 HIS 11 HB3 HIS 11 5.463 9.856 -12.243 91 HD1 HIS 11 HD1 HIS 11 4.727 13.387 -11.053 92 HD2 HIS 11 HD2 HIS 11 2.756 9.999 -12.432 93 HE1 HIS 11 HE1 HIS 11 2.319 14.065 -11.302 94 H GLN 12 H GLN 12 7.873 10.273 -8.550 95 HA GLN 12 HA GLN 12 9.855 9.175 -8.334 96 HB2 GLN 12 HB2 GLN 12 8.470 7.066 -9.997 97 HB3 GLN 12 HB3 GLN 12 9.895 6.823 -8.996 98 HG2 GLN 12 HG2 GLN 12 7.645 7.963 -7.539 99 HG3 GLN 12 HG3 GLN 12 7.303 6.382 -8.238 100 HE21 GLN 12 HE21 GLN 12 9.725 8.109 -6.325 101 HE22 GLN 12 HE22 GLN 12 10.164 6.761 -5.339 102 H LYS 13 H LYS 13 9.417 10.942 -10.662 103 HA LYS 13 HA LYS 13 11.258 9.745 -12.613 104 HB2 LYS 13 HB2 LYS 13 8.897 11.183 -12.956 105 HB3 LYS 13 HB3 LYS 13 10.165 12.336 -13.350 106 HG2 LYS 13 HG2 LYS 13 10.440 11.404 -15.335 107 HG3 LYS 13 HG3 LYS 13 10.767 9.838 -14.588 108 HD2 LYS 13 HD2 LYS 13 8.488 9.226 -14.636 109 HD3 LYS 13 HD3 LYS 13 7.973 10.879 -14.981 110 HE2 LYS 13 HE2 LYS 13 9.608 10.399 -17.087 111 HE3 LYS 13 HE3 LYS 13 8.968 8.783 -16.791 112 HZ1 LYS 13 HZ1 LYS 13 7.709 10.391 -18.351 113 HZ2 LYS 13 HZ2 LYS 13 7.130 11.077 -16.916 114 HZ3 LYS 13 HZ3 LYS 13 6.831 9.446 -17.255 115 H ARG 14 H ARG 14 10.701 12.729 -10.768 116 HA ARG 14 HA ARG 14 13.211 13.883 -11.515 117 HB2 ARG 14 HB2 ARG 14 11.040 15.067 -10.734 118 HB3 ARG 14 HB3 ARG 14 11.616 14.717 -9.111 119 HG2 ARG 14 HG2 ARG 14 13.658 15.966 -9.549 120 HG3 ARG 14 HG3 ARG 14 13.110 16.296 -11.193 121 HD2 ARG 14 HD2 ARG 14 12.344 18.203 -10.269 122 HD3 ARG 14 HD3 ARG 14 10.985 17.183 -9.800 123 HE ARG 14 HE ARG 14 12.911 17.009 -7.794 124 HH11 ARG 14 HH11 ARG 14 10.642 20.306 -7.737 125 HH12 ARG 14 HH12 ARG 14 10.792 19.387 -9.198 126 HH21 ARG 14 HH21 ARG 14 11.742 19.636 -5.842 127 HH22 ARG 14 HH22 ARG 14 12.722 18.210 -5.865 128 HN MK8 15 HNA MK8 15 12.381 11.397 -9.365 129 HB MK8 15 HB MK8 15 12.399 9.775 -7.403 130 HBA MK8 15 HBA MK8 15 13.279 9.158 -8.771 131 HD MK8 15 HD MK8 15 14.830 7.092 -8.110 132 HDA MK8 15 HDA MK8 15 15.896 8.467 -8.209 133 HE MK8 15 HE MK8 15 15.731 6.616 -5.761 134 HG MK8 15 HG MK8 15 14.650 9.304 -6.026 135 HGA MK8 15 HGA MK8 15 13.503 8.043 -6.375 136 HB1 MK8 15 HB1 MK8 15 14.753 11.474 -5.973 137 HB1A MK8 15 HB1A MK8 15 14.141 12.912 -6.770 138 HB1B MK8 15 HB1B MK8 15 13.014 11.721 -6.159 139 H ALA 16 H ALA 16 14.603 9.991 -10.093 140 HA ALA 16 HA ALA 16 17.255 9.381 -10.084 141 HB1 ALA 16 HB1 ALA 16 15.477 8.840 -11.840 142 HB2 ALA 16 HB2 ALA 16 15.942 10.363 -12.598 143 HB3 ALA 16 HB3 ALA 16 17.132 9.075 -12.401 144 H TYR 17 H TYR 17 15.870 12.377 -11.432 145 HA TYR 17 HA TYR 17 18.339 13.568 -12.073 146 HB2 TYR 17 HB2 TYR 17 16.001 14.230 -12.876 147 HB3 TYR 17 HB3 TYR 17 15.844 15.100 -11.355 148 HD1 TYR 17 HD1 TYR 17 16.709 15.435 -14.707 149 HD2 TYR 17 HD2 TYR 17 17.949 16.685 -10.834 150 HE1 TYR 17 HE1 TYR 17 17.853 17.371 -15.704 151 HE2 TYR 17 HE2 TYR 17 19.094 18.626 -11.820 152 HH TYR 17 HH TYR 17 18.551 19.909 -14.511 153 H SER 18 H SER 18 16.295 13.766 -9.193 154 HA SER 18 HA SER 18 17.741 15.753 -7.838 155 HB2 SER 18 HB2 SER 18 15.428 14.671 -7.295 156 HB3 SER 18 HB3 SER 18 16.382 13.514 -6.368 157 HG SER 18 HG SER 18 15.630 15.960 -5.664 158 HN MK8 19 HNA MK8 19 18.193 12.216 -8.016 159 HB MK8 19 HB MK8 19 19.624 10.305 -8.576 160 HBA MK8 19 HBA MK8 19 20.846 9.840 -7.429 161 HD MK8 19 HD MK8 19 18.052 8.320 -8.303 162 HDA MK8 19 HDA MK8 19 19.403 7.617 -7.452 163 HE MK8 19 HE MK8 19 18.068 6.868 -5.595 164 HG MK8 19 HG MK8 19 19.220 9.378 -5.690 165 HGA MK8 19 HGA MK8 19 17.916 10.138 -6.581 166 HB1 MK8 19 HB1 MK8 19 21.101 11.156 -5.269 167 HB1A MK8 19 HB1A MK8 19 20.561 12.822 -5.191 168 HB1B MK8 19 HB1B MK8 19 19.390 11.552 -5.005 169 H LEU 20 H LEU 20 20.218 12.639 -9.438 170 HA LEU 20 HA LEU 20 22.881 12.843 -10.109 171 HB2 LEU 20 HB2 LEU 20 20.598 13.197 -11.447 172 HB3 LEU 20 HB3 LEU 20 21.058 14.886 -11.240 173 HG LEU 20 HG LEU 20 21.822 14.160 -13.381 174 HD11 LEU 20 HD11 LEU 20 24.157 14.210 -11.476 175 HD12 LEU 20 HD12 LEU 20 23.324 15.627 -12.113 176 HD13 LEU 20 HD13 LEU 20 24.206 14.560 -13.204 177 HD21 LEU 20 HD21 LEU 20 22.737 12.156 -13.863 178 HD22 LEU 20 HD22 LEU 20 21.952 11.672 -12.359 179 HD23 LEU 20 HD23 LEU 20 23.664 12.096 -12.365 180 H GLY 21 H GLY 21 20.761 15.486 -8.991 181 HA2 GLY 21 HA2 GLY 21 22.877 17.393 -8.859 182 HA3 GLY 21 HA3 GLY 21 21.273 17.575 -8.166 183 H LEU 22 H LEU 22 22.220 14.760 -6.925 184 HA LEU 22 HA LEU 22 23.712 15.967 -4.694 185 HB2 LEU 22 HB2 LEU 22 21.081 15.216 -4.549 186 HB3 LEU 22 HB3 LEU 22 21.914 13.780 -3.958 187 HG LEU 22 HG LEU 22 23.147 15.551 -2.432 188 HD11 LEU 22 HD11 LEU 22 21.427 17.233 -3.743 189 HD12 LEU 22 HD12 LEU 22 22.211 17.564 -2.198 190 HD13 LEU 22 HD13 LEU 22 20.575 16.907 -2.234 191 HD21 LEU 22 HD21 LEU 22 21.856 14.787 -0.701 192 HD22 LEU 22 HD22 LEU 22 21.462 13.596 -1.943 193 HD23 LEU 22 HD23 LEU 22 20.353 14.928 -1.614 194 H LYS 23 H LYS 23 24.749 14.490 -6.909 195 HA LYS 23 HA LYS 23 25.852 12.188 -5.451 196 HB2 LYS 23 HB2 LYS 23 24.197 11.366 -7.082 197 HB3 LYS 23 HB3 LYS 23 25.058 12.196 -8.371 198 HG2 LYS 23 HG2 LYS 23 26.500 10.524 -8.602 199 HG3 LYS 23 HG3 LYS 23 26.810 10.453 -6.866 200 HD2 LYS 23 HD2 LYS 23 24.937 9.028 -6.509 201 HD3 LYS 23 HD3 LYS 23 24.351 9.282 -8.154 202 HE2 LYS 23 HE2 LYS 23 27.071 8.277 -8.105 203 HE3 LYS 23 HE3 LYS 23 25.953 7.200 -7.267 204 HZ1 LYS 23 HZ1 LYS 23 24.573 7.784 -9.483 205 HZ2 LYS 23 HZ2 LYS 23 25.575 6.430 -9.323 206 HZ3 LYS 23 HZ3 LYS 23 26.154 7.826 -10.085 207 H ASP 24 H ASP 24 26.268 14.097 -8.439 208 HA ASP 24 HA ASP 24 29.081 13.654 -8.544 209 HB2 ASP 24 HB2 ASP 24 27.248 14.481 -10.359 210 HB3 ASP 24 HB3 ASP 24 27.984 16.023 -9.932 211 H GLN 25 H GLN 25 27.030 16.087 -7.116 212 HA GLN 25 HA GLN 25 28.985 18.084 -6.717 213 HB2 GLN 25 HB2 GLN 25 26.536 18.459 -6.543 214 HB3 GLN 25 HB3 GLN 25 26.524 17.526 -5.052 215 HG2 GLN 25 HG2 GLN 25 26.605 19.654 -4.232 216 HG3 GLN 25 HG3 GLN 25 28.321 19.260 -4.296 217 HE21 GLN 25 HE21 GLN 25 28.275 21.709 -4.212 218 HE22 GLN 25 HE22 GLN 25 28.292 22.529 -5.733 219 H VAL 26 H VAL 26 27.823 15.456 -4.632 220 HA VAL 26 HA VAL 26 29.843 16.084 -2.630 221 HB VAL 26 HB VAL 26 27.854 13.812 -2.610 222 HG11 VAL 26 HG11 VAL 26 28.331 13.585 -0.322 223 HG12 VAL 26 HG12 VAL 26 29.907 13.769 -1.098 224 HG13 VAL 26 HG13 VAL 26 29.172 15.134 -0.256 225 HG21 VAL 26 HG21 VAL 26 26.951 15.682 -0.814 226 HG22 VAL 26 HG22 VAL 26 27.488 16.674 -2.170 227 HG23 VAL 26 HG23 VAL 26 26.292 15.404 -2.425 228 HN1 NH2 27 HN1 NH2 27 28.799 13.010 -4.150 229 HN2 NH2 27 HN2 NH2 27 30.392 12.354 -4.336 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -9.597 24.666 -11.435 2 H2 ACE 1 H2 ACE 1 -8.350 23.575 -10.783 3 H3 ACE 1 H3 ACE 1 -8.030 25.322 -10.905 4 H LYS 2 H LYS 2 -6.357 25.328 -12.239 5 HA LYS 2 HA LYS 2 -6.736 25.234 -14.988 6 HB2 LYS 2 HB2 LYS 2 -4.634 25.872 -13.228 7 HB3 LYS 2 HB3 LYS 2 -3.987 24.666 -14.333 8 HG2 LYS 2 HG2 LYS 2 -4.328 26.013 -16.199 9 HG3 LYS 2 HG3 LYS 2 -5.483 27.048 -15.357 10 HD2 LYS 2 HD2 LYS 2 -3.832 28.215 -14.247 11 HD3 LYS 2 HD3 LYS 2 -2.670 26.891 -14.368 12 HE2 LYS 2 HE2 LYS 2 -1.760 28.087 -16.027 13 HE3 LYS 2 HE3 LYS 2 -3.118 27.514 -16.994 14 HZ1 LYS 2 HZ1 LYS 2 -2.808 29.936 -17.101 15 HZ2 LYS 2 HZ2 LYS 2 -3.109 30.044 -15.440 16 HZ3 LYS 2 HZ3 LYS 2 -4.326 29.508 -16.487 17 H ARG 3 H ARG 3 -5.095 22.843 -12.916 18 HA ARG 3 HA ARG 3 -5.128 20.926 -15.119 19 HB2 ARG 3 HB2 ARG 3 -3.688 19.554 -13.689 20 HB3 ARG 3 HB3 ARG 3 -3.040 21.178 -13.870 21 HG2 ARG 3 HG2 ARG 3 -4.750 21.045 -11.568 22 HG3 ARG 3 HG3 ARG 3 -3.517 19.784 -11.498 23 HD2 ARG 3 HD2 ARG 3 -1.837 21.263 -11.235 24 HD3 ARG 3 HD3 ARG 3 -2.554 22.429 -12.347 25 HE ARG 3 HE ARG 3 -4.165 22.579 -10.184 26 HH11 ARG 3 HH11 ARG 3 -0.478 23.831 -9.258 27 HH12 ARG 3 HH12 ARG 3 -0.715 22.766 -10.604 28 HH21 ARG 3 HH21 ARG 3 -2.270 24.520 -8.008 29 HH22 ARG 3 HH22 ARG 3 -3.866 23.980 -8.410 30 H ILE 4 H ILE 4 -5.639 18.601 -14.461 31 HA ILE 4 HA ILE 4 -7.961 18.545 -12.649 32 HB ILE 4 HB ILE 4 -7.737 17.138 -15.314 33 HG12 ILE 4 HG12 ILE 4 -8.234 19.561 -15.461 34 HG13 ILE 4 HG13 ILE 4 -9.581 18.567 -16.006 35 HG21 ILE 4 HG21 ILE 4 -9.775 16.986 -13.114 36 HG22 ILE 4 HG22 ILE 4 -10.162 16.558 -14.780 37 HG23 ILE 4 HG23 ILE 4 -8.912 15.670 -13.911 38 HD11 ILE 4 HD11 ILE 4 -10.697 18.908 -13.865 39 HD12 ILE 4 HD12 ILE 4 -9.347 19.906 -13.322 40 HD13 ILE 4 HD13 ILE 4 -10.350 20.439 -14.671 41 H GLY 5 H GLY 5 -7.344 17.357 -10.957 42 HA2 GLY 5 HA2 GLY 5 -6.685 14.600 -11.289 43 HA3 GLY 5 HA3 GLY 5 -5.277 15.537 -10.810 44 H VAL 6 H VAL 6 -7.162 13.462 -9.500 45 HA VAL 6 HA VAL 6 -7.758 15.002 -7.061 46 HB VAL 6 HB VAL 6 -8.862 12.327 -7.931 47 HG11 VAL 6 HG11 VAL 6 -8.977 13.836 -5.399 48 HG12 VAL 6 HG12 VAL 6 -10.503 13.156 -5.968 49 HG13 VAL 6 HG13 VAL 6 -9.115 12.104 -5.697 50 HG21 VAL 6 HG21 VAL 6 -10.907 14.220 -7.627 51 HG22 VAL 6 HG22 VAL 6 -9.635 15.026 -8.546 52 HG23 VAL 6 HG23 VAL 6 -10.317 13.508 -9.129 53 H ARG 7 H ARG 7 -5.606 14.912 -6.280 54 HA ARG 7 HA ARG 7 -3.907 14.072 -5.021 55 HB2 ARG 7 HB2 ARG 7 -5.969 13.236 -3.732 56 HB3 ARG 7 HB3 ARG 7 -5.634 11.671 -4.460 57 HG2 ARG 7 HG2 ARG 7 -3.594 11.456 -3.331 58 HG3 ARG 7 HG3 ARG 7 -3.550 13.170 -2.912 59 HD2 ARG 7 HD2 ARG 7 -4.548 12.714 -0.983 60 HD3 ARG 7 HD3 ARG 7 -5.947 12.099 -1.860 61 HE ARG 7 HE ARG 7 -4.195 10.022 -1.892 62 HH11 ARG 7 HH11 ARG 7 -5.505 10.762 1.818 63 HH12 ARG 7 HH12 ARG 7 -5.560 12.010 0.619 64 HH21 ARG 7 HH21 ARG 7 -4.684 8.691 1.282 65 HH22 ARG 7 HH22 ARG 7 -4.117 8.369 -0.322 66 H LEU 8 H LEU 8 -3.093 13.761 -7.355 67 HA LEU 8 HA LEU 8 -2.984 11.331 -8.654 68 HB2 LEU 8 HB2 LEU 8 -0.669 12.164 -9.422 69 HB3 LEU 8 HB3 LEU 8 -2.101 13.102 -9.843 70 HG LEU 8 HG LEU 8 -0.869 13.976 -7.351 71 HD11 LEU 8 HD11 LEU 8 1.030 15.104 -8.585 72 HD12 LEU 8 HD12 LEU 8 0.753 13.940 -9.880 73 HD13 LEU 8 HD13 LEU 8 1.214 13.380 -8.273 74 HD21 LEU 8 HD21 LEU 8 -1.400 16.075 -8.150 75 HD22 LEU 8 HD22 LEU 8 -2.618 15.071 -8.938 76 HD23 LEU 8 HD23 LEU 8 -1.195 15.602 -9.836 77 HA PRO 9 HA PRO 9 -0.502 8.591 -6.290 78 HB2 PRO 9 HB2 PRO 9 0.874 7.274 -8.223 79 HB3 PRO 9 HB3 PRO 9 -0.851 7.025 -7.933 80 HG2 PRO 9 HG2 PRO 9 0.497 8.711 -10.008 81 HG3 PRO 9 HG3 PRO 9 -0.901 7.633 -10.178 82 HD2 PRO 9 HD2 PRO 9 -1.152 10.319 -9.948 83 HD3 PRO 9 HD3 PRO 9 -2.365 9.188 -9.312 84 H GLY 10 H GLY 10 1.790 7.852 -5.926 85 HA2 GLY 10 HA2 GLY 10 3.515 10.174 -5.906 86 HA3 GLY 10 HA3 GLY 10 3.838 8.625 -5.144 87 H HIS 11 H HIS 11 4.869 10.666 -7.486 88 HA HIS 11 HA HIS 11 5.731 8.572 -9.340 89 HB2 HIS 11 HB2 HIS 11 5.834 11.587 -9.478 90 HB3 HIS 11 HB3 HIS 11 6.596 10.544 -10.675 91 HD1 HIS 11 HD1 HIS 11 3.117 10.850 -9.143 92 HD2 HIS 11 HD2 HIS 11 4.976 10.151 -12.792 93 HE1 HIS 11 HE1 HIS 11 1.253 10.620 -10.815 94 H GLN 12 H GLN 12 8.037 8.855 -10.188 95 HA GLN 12 HA GLN 12 9.922 9.764 -8.162 96 HB2 GLN 12 HB2 GLN 12 9.918 6.923 -9.197 97 HB3 GLN 12 HB3 GLN 12 11.130 7.628 -8.135 98 HG2 GLN 12 HG2 GLN 12 9.262 8.042 -6.488 99 HG3 GLN 12 HG3 GLN 12 8.254 7.026 -7.519 100 HE21 GLN 12 HE21 GLN 12 10.492 7.096 -5.008 101 HE22 GLN 12 HE22 GLN 12 10.798 5.399 -4.894 102 H LYS 13 H LYS 13 9.191 10.578 -10.872 103 HA LYS 13 HA LYS 13 11.245 9.732 -12.666 104 HB2 LYS 13 HB2 LYS 13 8.857 11.007 -12.977 105 HB3 LYS 13 HB3 LYS 13 9.980 12.348 -13.161 106 HG2 LYS 13 HG2 LYS 13 10.831 11.554 -15.112 107 HG3 LYS 13 HG3 LYS 13 10.554 9.866 -14.676 108 HD2 LYS 13 HD2 LYS 13 8.346 9.917 -15.348 109 HD3 LYS 13 HD3 LYS 13 8.216 11.666 -15.146 110 HE2 LYS 13 HE2 LYS 13 9.685 11.971 -17.102 111 HE3 LYS 13 HE3 LYS 13 9.740 10.222 -17.314 112 HZ1 LYS 13 HZ1 LYS 13 7.288 11.893 -17.445 113 HZ2 LYS 13 HZ2 LYS 13 7.357 10.219 -17.674 114 HZ3 LYS 13 HZ3 LYS 13 8.112 11.255 -18.778 115 H ARG 14 H ARG 14 10.695 12.713 -10.802 116 HA ARG 14 HA ARG 14 13.205 13.860 -11.560 117 HB2 ARG 14 HB2 ARG 14 11.048 15.064 -10.798 118 HB3 ARG 14 HB3 ARG 14 11.595 14.704 -9.166 119 HG2 ARG 14 HG2 ARG 14 13.661 15.932 -9.580 120 HG3 ARG 14 HG3 ARG 14 13.122 16.286 -11.223 121 HD2 ARG 14 HD2 ARG 14 11.085 17.027 -9.348 122 HD3 ARG 14 HD3 ARG 14 12.619 17.759 -8.879 123 HE ARG 14 HE ARG 14 12.138 18.096 -11.655 124 HH11 ARG 14 HH11 ARG 14 10.757 20.855 -9.105 125 HH12 ARG 14 HH12 ARG 14 11.191 19.284 -8.522 126 HH21 ARG 14 HH21 ARG 14 10.969 21.355 -11.331 127 HH22 ARG 14 HH22 ARG 14 11.568 20.162 -12.435 128 HN MK8 15 HNA MK8 15 12.405 11.362 -9.376 129 HB MK8 15 HB MK8 15 12.483 9.781 -7.304 130 HBA MK8 15 HBA MK8 15 13.414 9.133 -8.629 131 HD MK8 15 HD MK8 15 14.809 7.136 -7.964 132 HDA MK8 15 HDA MK8 15 15.933 8.454 -8.171 133 HE MK8 15 HE MK8 15 15.823 6.619 -5.700 134 HG MK8 15 HG MK8 15 14.888 9.477 -6.007 135 HGA MK8 15 HGA MK8 15 13.680 8.223 -6.130 136 HB1 MK8 15 HB1 MK8 15 13.090 11.734 -6.121 137 HB1A MK8 15 HB1A MK8 15 14.850 11.661 -6.022 138 HB1B MK8 15 HB1B MK8 15 14.051 13.002 -6.827 139 H ALA 16 H ALA 16 14.593 9.997 -10.116 140 HA ALA 16 HA ALA 16 17.242 9.379 -10.110 141 HB1 ALA 16 HB1 ALA 16 15.558 8.752 -11.853 142 HB2 ALA 16 HB2 ALA 16 15.807 10.343 -12.576 143 HB3 ALA 16 HB3 ALA 16 17.145 9.197 -12.483 144 H TYR 17 H TYR 17 15.846 12.406 -11.362 145 HA TYR 17 HA TYR 17 18.321 13.587 -12.042 146 HB2 TYR 17 HB2 TYR 17 15.977 14.263 -12.818 147 HB3 TYR 17 HB3 TYR 17 15.840 15.124 -11.289 148 HD1 TYR 17 HD1 TYR 17 16.671 15.479 -14.648 149 HD2 TYR 17 HD2 TYR 17 17.960 16.693 -10.778 150 HE1 TYR 17 HE1 TYR 17 17.814 17.415 -15.643 151 HE2 TYR 17 HE2 TYR 17 19.105 18.633 -11.764 152 HH TYR 17 HH TYR 17 18.950 20.017 -13.816 153 H SER 18 H SER 18 16.277 13.816 -9.157 154 HA SER 18 HA SER 18 17.752 15.767 -7.794 155 HB2 SER 18 HB2 SER 18 15.438 14.493 -7.279 156 HB3 SER 18 HB3 SER 18 16.499 13.613 -6.178 157 HG SER 18 HG SER 18 15.987 15.287 -4.958 158 HN MK8 19 HNA MK8 19 18.185 12.227 -7.994 159 HB MK8 19 HB MK8 19 19.606 10.345 -8.586 160 HBA MK8 19 HBA MK8 19 20.860 9.868 -7.474 161 HD MK8 19 HD MK8 19 18.084 8.308 -8.306 162 HDA MK8 19 HDA MK8 19 19.463 7.623 -7.480 163 HE MK8 19 HE MK8 19 18.171 6.830 -5.617 164 HG MK8 19 HG MK8 19 19.271 9.370 -5.705 165 HGA MK8 19 HGA MK8 19 17.941 10.113 -6.575 166 HB1 MK8 19 HB1 MK8 19 19.403 11.522 -4.992 167 HB1A MK8 19 HB1A MK8 19 21.118 11.150 -5.272 168 HB1B MK8 19 HB1B MK8 19 20.557 12.806 -5.163 169 H LEU 20 H LEU 20 20.209 12.636 -9.436 170 HA LEU 20 HA LEU 20 22.874 12.834 -10.107 171 HB2 LEU 20 HB2 LEU 20 20.584 13.195 -11.441 172 HB3 LEU 20 HB3 LEU 20 21.062 14.882 -11.244 173 HG LEU 20 HG LEU 20 21.815 14.142 -13.382 174 HD11 LEU 20 HD11 LEU 20 24.157 14.591 -13.242 175 HD12 LEU 20 HD12 LEU 20 24.204 14.099 -11.550 176 HD13 LEU 20 HD13 LEU 20 23.341 15.565 -12.018 177 HD21 LEU 20 HD21 LEU 20 23.083 12.198 -13.789 178 HD22 LEU 20 HD22 LEU 20 21.768 11.692 -12.726 179 HD23 LEU 20 HD23 LEU 20 23.386 11.941 -12.070 180 H GLY 21 H GLY 21 20.758 15.479 -8.986 181 HA2 GLY 21 HA2 GLY 21 22.874 17.385 -8.862 182 HA3 GLY 21 HA3 GLY 21 21.272 17.566 -8.162 183 H LEU 22 H LEU 22 22.221 14.753 -6.924 184 HA LEU 22 HA LEU 22 23.717 15.960 -4.696 185 HB2 LEU 22 HB2 LEU 22 21.089 15.194 -4.550 186 HB3 LEU 22 HB3 LEU 22 21.934 13.768 -3.954 187 HG LEU 22 HG LEU 22 23.147 15.487 -2.404 188 HD11 LEU 22 HD11 LEU 22 22.114 17.490 -1.973 189 HD12 LEU 22 HD12 LEU 22 20.558 16.951 -2.607 190 HD13 LEU 22 HD13 LEU 22 21.868 17.355 -3.715 191 HD21 LEU 22 HD21 LEU 22 21.999 14.231 -0.979 192 HD22 LEU 22 HD22 LEU 22 20.752 13.914 -2.185 193 HD23 LEU 22 HD23 LEU 22 20.644 15.345 -1.157 194 H LYS 23 H LYS 23 24.738 14.478 -6.925 195 HA LYS 23 HA LYS 23 25.814 12.147 -5.484 196 HB2 LYS 23 HB2 LYS 23 24.572 12.286 -8.168 197 HB3 LYS 23 HB3 LYS 23 26.046 11.334 -8.052 198 HG2 LYS 23 HG2 LYS 23 24.658 10.437 -5.895 199 HG3 LYS 23 HG3 LYS 23 23.357 10.781 -7.038 200 HD2 LYS 23 HD2 LYS 23 25.718 9.334 -8.088 201 HD3 LYS 23 HD3 LYS 23 24.666 8.449 -6.980 202 HE2 LYS 23 HE2 LYS 23 22.738 8.994 -8.401 203 HE3 LYS 23 HE3 LYS 23 23.809 9.846 -9.513 204 HZ1 LYS 23 HZ1 LYS 23 23.812 7.856 -10.536 205 HZ2 LYS 23 HZ2 LYS 23 23.419 6.991 -9.137 206 HZ3 LYS 23 HZ3 LYS 23 25.014 7.487 -9.405 207 H ASP 24 H ASP 24 26.369 14.102 -8.420 208 HA ASP 24 HA ASP 24 29.100 13.640 -8.643 209 HB2 ASP 24 HB2 ASP 24 27.405 14.894 -10.213 210 HB3 ASP 24 HB3 ASP 24 27.976 16.322 -9.354 211 H GLN 25 H GLN 25 27.359 16.033 -6.732 212 HA GLN 25 HA GLN 25 29.624 17.522 -5.920 213 HB2 GLN 25 HB2 GLN 25 26.929 17.843 -5.671 214 HB3 GLN 25 HB3 GLN 25 27.367 17.386 -4.030 215 HG2 GLN 25 HG2 GLN 25 28.717 19.251 -3.735 216 HG3 GLN 25 HG3 GLN 25 28.860 19.541 -5.468 217 HE21 GLN 25 HE21 GLN 25 28.251 21.632 -3.928 218 HE22 GLN 25 HE22 GLN 25 26.596 22.087 -4.121 219 H VAL 26 H VAL 26 27.825 14.879 -4.373 220 HA VAL 26 HA VAL 26 29.335 14.771 -2.008 221 HB VAL 26 HB VAL 26 27.908 12.489 -3.382 222 HG11 VAL 26 HG11 VAL 26 28.903 11.304 -1.759 223 HG12 VAL 26 HG12 VAL 26 29.335 12.746 -0.837 224 HG13 VAL 26 HG13 VAL 26 27.715 12.062 -0.698 225 HG21 VAL 26 HG21 VAL 26 26.255 13.255 -1.397 226 HG22 VAL 26 HG22 VAL 26 26.955 14.813 -1.836 227 HG23 VAL 26 HG23 VAL 26 26.129 13.844 -3.055 228 HN1 NH2 27 HN1 NH2 27 31.329 14.069 -1.572 229 HN2 NH2 27 HN2 NH2 27 32.307 13.087 -2.611 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -7.796 29.642 -4.613 2 H2 ACE 1 H2 ACE 1 -8.614 30.553 -5.905 3 H3 ACE 1 H3 ACE 1 -9.567 29.563 -4.772 4 H LYS 2 H LYS 2 -6.504 28.647 -6.156 5 HA LYS 2 HA LYS 2 -7.798 26.845 -8.052 6 HB2 LYS 2 HB2 LYS 2 -4.890 27.554 -7.630 7 HB3 LYS 2 HB3 LYS 2 -5.472 26.435 -8.855 8 HG2 LYS 2 HG2 LYS 2 -6.146 28.080 -10.218 9 HG3 LYS 2 HG3 LYS 2 -6.773 29.062 -8.890 10 HD2 LYS 2 HD2 LYS 2 -4.805 30.165 -8.599 11 HD3 LYS 2 HD3 LYS 2 -3.830 28.774 -9.077 12 HE2 LYS 2 HE2 LYS 2 -3.499 29.892 -10.986 13 HE3 LYS 2 HE3 LYS 2 -5.140 29.393 -11.397 14 HZ1 LYS 2 HZ1 LYS 2 -5.509 31.624 -9.894 15 HZ2 LYS 2 HZ2 LYS 2 -5.553 31.558 -11.584 16 HZ3 LYS 2 HZ3 LYS 2 -4.127 32.005 -10.792 17 H ARG 3 H ARG 3 -8.594 25.731 -5.967 18 HA ARG 3 HA ARG 3 -6.610 23.961 -4.778 19 HB2 ARG 3 HB2 ARG 3 -8.480 23.230 -3.328 20 HB3 ARG 3 HB3 ARG 3 -8.212 24.967 -3.272 21 HG2 ARG 3 HG2 ARG 3 -10.226 25.438 -4.148 22 HG3 ARG 3 HG3 ARG 3 -10.181 24.067 -5.258 23 HD2 ARG 3 HD2 ARG 3 -11.301 22.740 -3.842 24 HD3 ARG 3 HD3 ARG 3 -10.375 23.297 -2.448 25 HE ARG 3 HE ARG 3 -12.939 24.245 -3.309 26 HH11 ARG 3 HH11 ARG 3 -10.780 26.317 -0.649 27 HH12 ARG 3 HH12 ARG 3 -10.021 25.089 -1.608 28 HH21 ARG 3 HH21 ARG 3 -13.015 26.753 -0.903 29 HH22 ARG 3 HH22 ARG 3 -13.950 25.859 -2.053 30 H ILE 4 H ILE 4 -6.585 23.256 -7.279 31 HA ILE 4 HA ILE 4 -7.687 20.605 -7.281 32 HB ILE 4 HB ILE 4 -9.617 21.904 -8.111 33 HG12 ILE 4 HG12 ILE 4 -9.921 20.608 -10.242 34 HG13 ILE 4 HG13 ILE 4 -8.238 20.108 -10.115 35 HG21 ILE 4 HG21 ILE 4 -8.383 23.745 -9.138 36 HG22 ILE 4 HG22 ILE 4 -7.782 22.651 -10.383 37 HG23 ILE 4 HG23 ILE 4 -9.505 23.010 -10.284 38 HD11 ILE 4 HD11 ILE 4 -9.666 19.586 -7.668 39 HD12 ILE 4 HD12 ILE 4 -10.448 18.822 -9.052 40 HD13 ILE 4 HD13 ILE 4 -8.754 18.486 -8.701 41 H GLY 5 H GLY 5 -6.553 19.235 -8.593 42 HA2 GLY 5 HA2 GLY 5 -5.268 19.463 -10.895 43 HA3 GLY 5 HA3 GLY 5 -4.180 20.373 -9.858 44 H VAL 6 H VAL 6 -4.460 17.516 -11.283 45 HA VAL 6 HA VAL 6 -3.381 15.978 -9.018 46 HB VAL 6 HB VAL 6 -5.352 14.990 -10.130 47 HG11 VAL 6 HG11 VAL 6 -5.086 14.059 -12.410 48 HG12 VAL 6 HG12 VAL 6 -5.052 15.822 -12.372 49 HG13 VAL 6 HG13 VAL 6 -3.550 14.915 -12.547 50 HG21 VAL 6 HG21 VAL 6 -2.781 13.460 -10.515 51 HG22 VAL 6 HG22 VAL 6 -3.746 13.529 -9.041 52 HG23 VAL 6 HG23 VAL 6 -4.396 12.749 -10.484 53 H ARG 7 H ARG 7 -1.405 14.984 -9.149 54 HA ARG 7 HA ARG 7 0.522 16.139 -10.878 55 HB2 ARG 7 HB2 ARG 7 0.549 14.632 -8.512 56 HB3 ARG 7 HB3 ARG 7 1.420 13.661 -9.692 57 HG2 ARG 7 HG2 ARG 7 2.502 16.112 -10.124 58 HG3 ARG 7 HG3 ARG 7 2.173 16.172 -8.391 59 HD2 ARG 7 HD2 ARG 7 3.264 13.764 -8.473 60 HD3 ARG 7 HD3 ARG 7 4.025 14.420 -9.923 61 HE ARG 7 HE ARG 7 4.269 16.201 -7.718 62 HH11 ARG 7 HH11 ARG 7 7.121 13.463 -8.350 63 HH12 ARG 7 HH12 ARG 7 5.565 13.273 -9.085 64 HH21 ARG 7 HH21 ARG 7 7.547 15.280 -7.018 65 HH22 ARG 7 HH22 ARG 7 6.315 16.464 -6.745 66 H LEU 8 H LEU 8 1.606 15.302 -12.633 67 HA LEU 8 HA LEU 8 0.193 13.623 -14.371 68 HB2 LEU 8 HB2 LEU 8 2.957 14.727 -14.294 69 HB3 LEU 8 HB3 LEU 8 2.587 13.458 -15.460 70 HG LEU 8 HG LEU 8 0.918 14.844 -16.512 71 HD11 LEU 8 HD11 LEU 8 0.875 17.311 -15.677 72 HD12 LEU 8 HD12 LEU 8 1.397 16.603 -14.149 73 HD13 LEU 8 HD13 LEU 8 -0.122 16.092 -14.884 74 HD21 LEU 8 HD21 LEU 8 2.804 15.387 -17.624 75 HD22 LEU 8 HD22 LEU 8 3.686 15.796 -16.152 76 HD23 LEU 8 HD23 LEU 8 2.555 16.954 -16.854 77 HA PRO 9 HA PRO 9 1.274 9.511 -13.286 78 HB2 PRO 9 HB2 PRO 9 1.609 8.340 -15.711 79 HB3 PRO 9 HB3 PRO 9 0.026 8.811 -15.082 80 HG2 PRO 9 HG2 PRO 9 1.791 10.240 -17.033 81 HG3 PRO 9 HG3 PRO 9 0.036 9.994 -17.084 82 HD2 PRO 9 HD2 PRO 9 1.159 12.319 -16.269 83 HD3 PRO 9 HD3 PRO 9 -0.375 11.715 -15.607 84 H GLY 10 H GLY 10 2.903 7.667 -14.329 85 HA2 GLY 10 HA2 GLY 10 5.090 6.966 -14.343 86 HA3 GLY 10 HA3 GLY 10 5.416 8.432 -15.257 87 H HIS 11 H HIS 11 4.340 7.966 -11.900 88 HA HIS 11 HA HIS 11 5.903 10.013 -10.837 89 HB2 HIS 11 HB2 HIS 11 5.079 7.540 -9.319 90 HB3 HIS 11 HB3 HIS 11 5.336 9.160 -8.681 91 HD1 HIS 11 HD1 HIS 11 3.598 10.353 -11.223 92 HD2 HIS 11 HD2 HIS 11 2.430 7.634 -8.305 93 HE1 HIS 11 HE1 HIS 11 1.089 10.493 -11.140 94 H GLN 12 H GLN 12 7.632 9.654 -9.122 95 HA GLN 12 HA GLN 12 9.759 9.045 -8.598 96 HB2 GLN 12 HB2 GLN 12 8.453 6.781 -8.433 97 HB3 GLN 12 HB3 GLN 12 9.347 6.375 -9.891 98 HG2 GLN 12 HG2 GLN 12 11.140 5.868 -8.707 99 HG3 GLN 12 HG3 GLN 12 11.141 7.462 -7.954 100 HE21 GLN 12 HE21 GLN 12 11.434 7.123 -5.862 101 HE22 GLN 12 HE22 GLN 12 10.523 6.030 -4.882 102 H LYS 13 H LYS 13 9.413 10.447 -10.973 103 HA LYS 13 HA LYS 13 11.318 9.195 -12.829 104 HB2 LYS 13 HB2 LYS 13 9.118 9.930 -13.742 105 HB3 LYS 13 HB3 LYS 13 9.521 11.583 -13.295 106 HG2 LYS 13 HG2 LYS 13 10.603 11.866 -15.200 107 HG3 LYS 13 HG3 LYS 13 11.658 10.497 -14.839 108 HD2 LYS 13 HD2 LYS 13 8.905 10.238 -16.042 109 HD3 LYS 13 HD3 LYS 13 10.395 10.295 -16.987 110 HE2 LYS 13 HE2 LYS 13 10.733 8.126 -16.647 111 HE3 LYS 13 HE3 LYS 13 10.679 8.364 -14.901 112 HZ1 LYS 13 HZ1 LYS 13 9.008 6.776 -15.702 113 HZ2 LYS 13 HZ2 LYS 13 8.294 7.995 -16.631 114 HZ3 LYS 13 HZ3 LYS 13 8.302 8.113 -14.943 115 H ARG 14 H ARG 14 10.547 12.464 -11.614 116 HA ARG 14 HA ARG 14 13.137 13.481 -12.219 117 HB2 ARG 14 HB2 ARG 14 11.013 14.834 -12.046 118 HB3 ARG 14 HB3 ARG 14 11.127 14.658 -10.300 119 HG2 ARG 14 HG2 ARG 14 13.254 15.824 -10.296 120 HG3 ARG 14 HG3 ARG 14 13.203 15.952 -12.056 121 HD2 ARG 14 HD2 ARG 14 11.166 17.297 -11.895 122 HD3 ARG 14 HD3 ARG 14 11.212 17.160 -10.138 123 HE ARG 14 HE ARG 14 13.612 18.240 -10.702 124 HH11 ARG 14 HH11 ARG 14 10.707 20.763 -11.811 125 HH12 ARG 14 HH12 ARG 14 10.372 19.068 -11.668 126 HH21 ARG 14 HH21 ARG 14 12.810 21.556 -11.367 127 HH22 ARG 14 HH22 ARG 14 14.066 20.468 -10.887 128 HN MK8 15 HNA MK8 15 11.987 11.502 -9.657 129 HB MK8 15 HB MK8 15 11.799 10.242 -7.658 130 HBA MK8 15 HBA MK8 15 13.144 9.389 -8.359 131 HD MK8 15 HD MK8 15 15.289 10.540 -5.899 132 HDA MK8 15 HDA MK8 15 14.846 9.270 -4.804 133 HE MK8 15 HE MK8 15 14.987 7.609 -6.854 134 HG MK8 15 HG MK8 15 12.817 10.344 -5.472 135 HGA MK8 15 HGA MK8 15 12.830 8.706 -6.052 136 HB1 MK8 15 HB1 MK8 15 12.251 12.690 -6.691 137 HB1A MK8 15 HB1A MK8 15 13.885 12.363 -6.103 138 HB1B MK8 15 HB1B MK8 15 13.623 13.599 -7.318 139 H ALA 16 H ALA 16 14.293 10.200 -10.006 140 HA ALA 16 HA ALA 16 16.917 9.597 -9.562 141 HB1 ALA 16 HB1 ALA 16 16.143 10.299 -12.350 142 HB2 ALA 16 HB2 ALA 16 17.030 8.901 -11.741 143 HB3 ALA 16 HB3 ALA 16 15.281 8.996 -11.531 144 H TYR 17 H TYR 17 15.605 12.602 -10.830 145 HA TYR 17 HA TYR 17 18.022 13.751 -11.699 146 HB2 TYR 17 HB2 TYR 17 15.644 14.542 -12.180 147 HB3 TYR 17 HB3 TYR 17 15.682 15.300 -10.592 148 HD1 TYR 17 HD1 TYR 17 16.258 15.813 -14.006 149 HD2 TYR 17 HD2 TYR 17 17.810 16.839 -10.179 150 HE1 TYR 17 HE1 TYR 17 17.347 17.788 -14.985 151 HE2 TYR 17 HE2 TYR 17 18.904 18.818 -11.147 152 HH TYR 17 HH TYR 17 19.054 20.133 -12.966 153 H SER 18 H SER 18 16.299 13.977 -8.603 154 HA SER 18 HA SER 18 17.992 15.779 -7.324 155 HB2 SER 18 HB2 SER 18 15.759 14.262 -6.614 156 HB3 SER 18 HB3 SER 18 17.022 13.732 -5.504 157 HG SER 18 HG SER 18 15.891 15.547 -4.699 158 HN MK8 19 HNA MK8 19 18.363 12.272 -7.864 159 HB MK8 19 HB MK8 19 19.935 10.408 -8.774 160 HBA MK8 19 HBA MK8 19 21.201 9.924 -7.716 161 HD MK8 19 HD MK8 19 17.607 10.302 -6.010 162 HDA MK8 19 HDA MK8 19 17.645 10.426 -7.759 163 HE MK8 19 HE MK8 19 17.187 7.739 -7.658 164 HG MK8 19 HG MK8 19 19.342 8.394 -7.596 165 HGA MK8 19 HGA MK8 19 19.639 9.071 -6.018 166 HB1 MK8 19 HB1 MK8 19 19.814 11.175 -5.071 167 HB1A MK8 19 HB1A MK8 19 21.523 10.958 -5.490 168 HB1B MK8 19 HB1B MK8 19 20.878 12.549 -5.139 169 H LEU 20 H LEU 20 20.276 12.780 -9.426 170 HA LEU 20 HA LEU 20 22.892 13.064 -10.249 171 HB2 LEU 20 HB2 LEU 20 20.550 13.468 -11.429 172 HB3 LEU 20 HB3 LEU 20 20.949 15.149 -11.084 173 HG LEU 20 HG LEU 20 21.587 14.551 -13.351 174 HD11 LEU 20 HD11 LEU 20 24.220 14.701 -11.997 175 HD12 LEU 20 HD12 LEU 20 23.054 15.981 -11.663 176 HD13 LEU 20 HD13 LEU 20 23.565 15.665 -13.321 177 HD21 LEU 20 HD21 LEU 20 23.798 12.911 -13.100 178 HD22 LEU 20 HD22 LEU 20 22.216 12.448 -13.728 179 HD23 LEU 20 HD23 LEU 20 22.604 12.177 -12.029 180 H GLY 21 H GLY 21 20.830 15.577 -8.779 181 HA2 GLY 21 HA2 GLY 21 22.938 17.495 -8.638 182 HA3 GLY 21 HA3 GLY 21 21.379 17.604 -7.835 183 H LEU 22 H LEU 22 22.438 14.709 -6.889 184 HA LEU 22 HA LEU 22 24.039 15.762 -4.655 185 HB2 LEU 22 HB2 LEU 22 21.435 14.911 -4.437 186 HB3 LEU 22 HB3 LEU 22 22.352 13.477 -3.984 187 HG LEU 22 HG LEU 22 22.972 16.100 -2.692 188 HD11 LEU 22 HD11 LEU 22 21.295 14.937 -0.908 189 HD12 LEU 22 HD12 LEU 22 20.485 14.564 -2.430 190 HD13 LEU 22 HD13 LEU 22 20.840 16.239 -2.006 191 HD21 LEU 22 HD21 LEU 22 23.661 14.685 -0.862 192 HD22 LEU 22 HD22 LEU 22 24.425 14.134 -2.354 193 HD23 LEU 22 HD23 LEU 22 23.046 13.256 -1.693 194 H LYS 23 H LYS 23 24.926 14.469 -7.070 195 HA LYS 23 HA LYS 23 26.281 12.177 -5.850 196 HB2 LYS 23 HB2 LYS 23 24.466 11.225 -7.170 197 HB3 LYS 23 HB3 LYS 23 24.970 12.155 -8.574 198 HG2 LYS 23 HG2 LYS 23 26.600 10.712 -9.105 199 HG3 LYS 23 HG3 LYS 23 27.059 10.450 -7.421 200 HD2 LYS 23 HD2 LYS 23 24.865 9.122 -7.247 201 HD3 LYS 23 HD3 LYS 23 24.889 9.119 -9.013 202 HE2 LYS 23 HE2 LYS 23 27.009 7.993 -9.036 203 HE3 LYS 23 HE3 LYS 23 27.162 8.147 -7.287 204 HZ1 LYS 23 HZ1 LYS 23 25.473 6.591 -6.935 205 HZ2 LYS 23 HZ2 LYS 23 26.396 5.924 -8.185 206 HZ3 LYS 23 HZ3 LYS 23 24.920 6.673 -8.533 207 H ASP 24 H ASP 24 26.127 14.334 -8.669 208 HA ASP 24 HA ASP 24 28.836 13.910 -9.431 209 HB2 ASP 24 HB2 ASP 24 26.620 15.120 -10.580 210 HB3 ASP 24 HB3 ASP 24 27.715 16.465 -10.276 211 H GLN 25 H GLN 25 27.245 16.028 -7.193 212 HA GLN 25 HA GLN 25 29.473 17.844 -6.954 213 HB2 GLN 25 HB2 GLN 25 26.997 18.396 -6.568 214 HB3 GLN 25 HB3 GLN 25 27.183 17.594 -5.014 215 HG2 GLN 25 HG2 GLN 25 27.728 19.618 -4.261 216 HG3 GLN 25 HG3 GLN 25 29.297 19.302 -5.000 217 HE21 GLN 25 HE21 GLN 25 29.987 21.055 -5.980 218 HE22 GLN 25 HE22 GLN 25 29.040 22.112 -6.965 219 H VAL 26 H VAL 26 28.243 15.024 -5.279 220 HA VAL 26 HA VAL 26 30.552 15.163 -3.448 221 HB VAL 26 HB VAL 26 27.954 13.718 -2.919 222 HG11 VAL 26 HG11 VAL 26 30.525 14.007 -1.490 223 HG12 VAL 26 HG12 VAL 26 29.060 14.105 -0.510 224 HG13 VAL 26 HG13 VAL 26 29.371 12.673 -1.495 225 HG21 VAL 26 HG21 VAL 26 28.753 16.523 -2.475 226 HG22 VAL 26 HG22 VAL 26 27.150 15.817 -2.674 227 HG23 VAL 26 HG23 VAL 26 27.970 15.716 -1.117 228 HN1 NH2 27 HN1 NH2 27 31.929 14.046 -4.888 229 HN2 NH2 27 HN2 NH2 27 31.745 12.350 -5.194 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 11.460 -1.976 9.078 2 H2 ACE 1 H2 ACE 1 13.241 -2.015 9.087 3 H3 ACE 1 H3 ACE 1 12.369 -0.856 10.121 4 H LYS 2 H LYS 2 10.752 0.489 8.814 5 HA LYS 2 HA LYS 2 10.372 2.100 7.249 6 HB2 LYS 2 HB2 LYS 2 12.569 2.838 8.262 7 HB3 LYS 2 HB3 LYS 2 13.370 2.094 6.884 8 HG2 LYS 2 HG2 LYS 2 12.739 3.732 5.457 9 HG3 LYS 2 HG3 LYS 2 11.207 4.018 6.287 10 HD2 LYS 2 HD2 LYS 2 12.150 5.846 7.152 11 HD3 LYS 2 HD3 LYS 2 13.139 4.764 8.136 12 HE2 LYS 2 HE2 LYS 2 14.804 4.712 6.291 13 HE3 LYS 2 HE3 LYS 2 13.840 5.914 5.437 14 HZ1 LYS 2 HZ1 LYS 2 14.321 6.787 8.073 15 HZ2 LYS 2 HZ2 LYS 2 14.790 7.509 6.617 16 HZ3 LYS 2 HZ3 LYS 2 15.794 6.364 7.356 17 H ARG 3 H ARG 3 9.404 0.377 5.916 18 HA ARG 3 HA ARG 3 11.005 -0.252 3.529 19 HB2 ARG 3 HB2 ARG 3 8.626 -1.609 4.783 20 HB3 ARG 3 HB3 ARG 3 9.123 -1.947 3.130 21 HG2 ARG 3 HG2 ARG 3 11.360 -2.111 4.944 22 HG3 ARG 3 HG3 ARG 3 10.043 -3.175 5.442 23 HD2 ARG 3 HD2 ARG 3 10.056 -3.710 2.824 24 HD3 ARG 3 HD3 ARG 3 11.747 -3.255 3.022 25 HE ARG 3 HE ARG 3 12.101 -5.222 4.127 26 HH11 ARG 3 HH11 ARG 3 8.243 -6.084 4.767 27 HH12 ARG 3 HH12 ARG 3 8.684 -4.556 4.081 28 HH21 ARG 3 HH21 ARG 3 9.865 -7.609 5.310 29 HH22 ARG 3 HH22 ARG 3 11.534 -7.238 5.032 30 H ILE 4 H ILE 4 7.621 0.474 4.403 31 HA ILE 4 HA ILE 4 5.979 1.610 3.310 32 HB ILE 4 HB ILE 4 8.319 3.138 2.164 33 HG12 ILE 4 HG12 ILE 4 8.196 3.140 4.638 34 HG13 ILE 4 HG13 ILE 4 7.908 4.734 3.952 35 HG21 ILE 4 HG21 ILE 4 6.732 3.976 0.814 36 HG22 ILE 4 HG22 ILE 4 5.415 3.391 1.830 37 HG23 ILE 4 HG23 ILE 4 6.250 4.888 2.244 38 HD11 ILE 4 HD11 ILE 4 6.390 4.260 5.790 39 HD12 ILE 4 HD12 ILE 4 5.513 4.443 4.270 40 HD13 ILE 4 HD13 ILE 4 5.792 2.835 4.938 41 H GLY 5 H GLY 5 5.365 -0.233 2.074 42 HA2 GLY 5 HA2 GLY 5 4.592 -0.995 0.020 43 HA3 GLY 5 HA3 GLY 5 5.570 0.230 -0.772 44 H VAL 6 H VAL 6 5.398 -2.313 -1.804 45 HA VAL 6 HA VAL 6 7.932 -3.599 -1.053 46 HB VAL 6 HB VAL 6 5.700 -4.702 -2.765 47 HG11 VAL 6 HG11 VAL 6 7.548 -5.894 -3.437 48 HG12 VAL 6 HG12 VAL 6 8.340 -5.762 -1.865 49 HG13 VAL 6 HG13 VAL 6 6.987 -6.873 -2.081 50 HG21 VAL 6 HG21 VAL 6 5.722 -6.242 -0.547 51 HG22 VAL 6 HG22 VAL 6 6.157 -4.679 0.145 52 HG23 VAL 6 HG23 VAL 6 4.659 -4.852 -0.770 53 H ARG 7 H ARG 7 6.058 -2.688 -3.944 54 HA ARG 7 HA ARG 7 8.414 -1.737 -5.272 55 HB2 ARG 7 HB2 ARG 7 8.344 -3.284 -7.163 56 HB3 ARG 7 HB3 ARG 7 8.661 -4.145 -5.663 57 HG2 ARG 7 HG2 ARG 7 7.086 -5.542 -6.442 58 HG3 ARG 7 HG3 ARG 7 5.979 -4.346 -5.765 59 HD2 ARG 7 HD2 ARG 7 5.177 -3.860 -7.781 60 HD3 ARG 7 HD3 ARG 7 6.799 -3.568 -8.408 61 HE ARG 7 HE ARG 7 6.724 -5.617 -9.406 62 HH11 ARG 7 HH11 ARG 7 3.662 -7.068 -7.275 63 HH12 ARG 7 HH12 ARG 7 4.334 -5.522 -6.876 64 HH21 ARG 7 HH21 ARG 7 4.524 -8.280 -9.016 65 HH22 ARG 7 HH22 ARG 7 5.847 -7.654 -9.940 66 H LEU 8 H LEU 8 7.913 -0.254 -6.802 67 HA LEU 8 HA LEU 8 5.061 0.046 -7.475 68 HB2 LEU 8 HB2 LEU 8 7.209 2.031 -6.883 69 HB3 LEU 8 HB3 LEU 8 5.878 2.486 -7.945 70 HG LEU 8 HG LEU 8 5.518 3.228 -5.638 71 HD11 LEU 8 HD11 LEU 8 3.262 2.338 -5.369 72 HD12 LEU 8 HD12 LEU 8 3.627 1.047 -6.512 73 HD13 LEU 8 HD13 LEU 8 3.598 2.724 -7.057 74 HD21 LEU 8 HD21 LEU 8 5.588 1.883 -3.813 75 HD22 LEU 8 HD22 LEU 8 6.718 0.988 -4.828 76 HD23 LEU 8 HD23 LEU 8 5.041 0.460 -4.699 77 HA PRO 9 HA PRO 9 5.941 -0.273 -11.762 78 HB2 PRO 9 HB2 PRO 9 4.263 1.574 -12.832 79 HB3 PRO 9 HB3 PRO 9 3.698 0.045 -12.145 80 HG2 PRO 9 HG2 PRO 9 3.740 2.773 -10.914 81 HG3 PRO 9 HG3 PRO 9 2.462 1.544 -10.867 82 HD2 PRO 9 HD2 PRO 9 4.173 1.950 -8.807 83 HD3 PRO 9 HD3 PRO 9 3.499 0.351 -9.189 84 H GLY 10 H GLY 10 6.124 2.926 -10.317 85 HA2 GLY 10 HA2 GLY 10 8.524 3.773 -11.022 86 HA3 GLY 10 HA3 GLY 10 7.695 3.943 -12.562 87 H HIS 11 H HIS 11 7.599 4.952 -9.171 88 HA HIS 11 HA HIS 11 6.196 7.399 -10.024 89 HB2 HIS 11 HB2 HIS 11 6.121 5.855 -7.441 90 HB3 HIS 11 HB3 HIS 11 5.630 7.545 -7.509 91 HD1 HIS 11 HD1 HIS 11 4.740 4.244 -9.169 92 HD2 HIS 11 HD2 HIS 11 3.031 7.906 -8.201 93 HE1 HIS 11 HE1 HIS 11 2.308 4.034 -9.775 94 H GLN 12 H GLN 12 8.730 7.624 -10.561 95 HA GLN 12 HA GLN 12 9.837 9.214 -8.346 96 HB2 GLN 12 HB2 GLN 12 11.142 7.108 -10.003 97 HB3 GLN 12 HB3 GLN 12 12.107 8.498 -9.524 98 HG2 GLN 12 HG2 GLN 12 12.545 7.319 -7.688 99 HG3 GLN 12 HG3 GLN 12 10.933 7.811 -7.168 100 HE21 GLN 12 HE21 GLN 12 10.097 6.125 -6.155 101 HE22 GLN 12 HE22 GLN 12 10.033 4.509 -6.766 102 H LYS 13 H LYS 13 10.996 8.625 -11.642 103 HA LYS 13 HA LYS 13 11.350 10.013 -13.411 104 HB2 LYS 13 HB2 LYS 13 8.951 11.057 -12.142 105 HB3 LYS 13 HB3 LYS 13 9.875 12.325 -12.939 106 HG2 LYS 13 HG2 LYS 13 9.792 11.137 -15.030 107 HG3 LYS 13 HG3 LYS 13 8.996 9.764 -14.257 108 HD2 LYS 13 HD2 LYS 13 7.037 10.709 -14.715 109 HD3 LYS 13 HD3 LYS 13 7.455 12.024 -13.615 110 HE2 LYS 13 HE2 LYS 13 8.726 13.013 -15.619 111 HE3 LYS 13 HE3 LYS 13 7.798 11.875 -16.593 112 HZ1 LYS 13 HZ1 LYS 13 6.855 14.197 -16.297 113 HZ2 LYS 13 HZ2 LYS 13 6.481 13.737 -14.712 114 HZ3 LYS 13 HZ3 LYS 13 5.801 12.903 -16.018 115 H ARG 14 H ARG 14 10.677 12.557 -11.039 116 HA ARG 14 HA ARG 14 13.189 13.832 -11.634 117 HB2 ARG 14 HB2 ARG 14 10.939 14.971 -11.104 118 HB3 ARG 14 HB3 ARG 14 11.312 14.626 -9.421 119 HG2 ARG 14 HG2 ARG 14 13.420 15.894 -9.667 120 HG3 ARG 14 HG3 ARG 14 12.943 16.304 -11.315 121 HD2 ARG 14 HD2 ARG 14 10.755 17.144 -10.129 122 HD3 ARG 14 HD3 ARG 14 11.809 17.229 -8.718 123 HE ARG 14 HE ARG 14 12.814 19.066 -9.633 124 HH11 ARG 14 HH11 ARG 14 11.308 18.613 -13.315 125 HH12 ARG 14 HH12 ARG 14 11.056 17.383 -12.121 126 HH21 ARG 14 HH21 ARG 14 12.504 20.496 -12.787 127 HH22 ARG 14 HH22 ARG 14 13.154 20.693 -11.195 128 HN MK8 15 HNA MK8 15 12.127 11.460 -9.262 129 HB MK8 15 HB MK8 15 12.268 9.948 -7.202 130 HBA MK8 15 HBA MK8 15 13.508 9.205 -8.204 131 HD MK8 15 HD MK8 15 16.140 9.910 -6.358 132 HDA MK8 15 HDA MK8 15 15.883 8.587 -5.257 133 HE MK8 15 HE MK8 15 15.070 7.363 -7.628 134 HG MK8 15 HG MK8 15 13.894 9.979 -5.271 135 HGA MK8 15 HGA MK8 15 13.535 8.392 -5.862 136 HB1 MK8 15 HB1 MK8 15 14.605 12.040 -5.958 137 HB1A MK8 15 HB1A MK8 15 13.813 13.307 -6.890 138 HB1B MK8 15 HB1B MK8 15 12.842 12.112 -6.076 139 H ALA 16 H ALA 16 14.360 10.086 -10.020 140 HA ALA 16 HA ALA 16 17.009 9.377 -9.795 141 HB1 ALA 16 HB1 ALA 16 15.075 9.203 -11.759 142 HB2 ALA 16 HB2 ALA 16 16.359 10.148 -12.515 143 HB3 ALA 16 HB3 ALA 16 16.714 8.556 -11.845 144 H TYR 17 H TYR 17 15.678 12.382 -11.137 145 HA TYR 17 HA TYR 17 18.124 13.514 -11.932 146 HB2 TYR 17 HB2 TYR 17 15.763 14.273 -12.540 147 HB3 TYR 17 HB3 TYR 17 15.736 15.096 -10.984 148 HD1 TYR 17 HD1 TYR 17 16.470 15.456 -14.393 149 HD2 TYR 17 HD2 TYR 17 17.818 16.673 -10.545 150 HE1 TYR 17 HE1 TYR 17 17.594 17.395 -15.407 151 HE2 TYR 17 HE2 TYR 17 18.943 18.617 -11.548 152 HH TYR 17 HH TYR 17 19.884 18.991 -14.276 153 H SER 18 H SER 18 16.256 13.889 -8.932 154 HA SER 18 HA SER 18 17.891 15.735 -7.651 155 HB2 SER 18 HB2 SER 18 15.605 14.390 -6.984 156 HB3 SER 18 HB3 SER 18 16.775 13.654 -5.889 157 HG SER 18 HG SER 18 15.632 15.682 -5.219 158 HN MK8 19 HNA MK8 19 18.289 12.199 -7.993 159 HB MK8 19 HB MK8 19 20.199 10.297 -8.781 160 HBA MK8 19 HBA MK8 19 20.855 9.715 -7.275 161 HD MK8 19 HD MK8 19 19.110 7.972 -8.491 162 HDA MK8 19 HDA MK8 19 19.001 7.640 -6.783 163 HE MK8 19 HE MK8 19 17.106 6.856 -8.573 164 HG MK8 19 HG MK8 19 18.416 9.895 -6.297 165 HGA MK8 19 HGA MK8 19 17.946 10.222 -7.955 166 HB1 MK8 19 HB1 MK8 19 20.316 12.573 -5.083 167 HB1A MK8 19 HB1A MK8 19 19.894 10.891 -5.165 168 HB1B MK8 19 HB1B MK8 19 21.556 11.371 -5.452 169 H LEU 20 H LEU 20 20.298 12.666 -9.532 170 HA LEU 20 HA LEU 20 22.950 12.953 -10.223 171 HB2 LEU 20 HB2 LEU 20 20.676 13.281 -11.546 172 HB3 LEU 20 HB3 LEU 20 21.026 14.980 -11.236 173 HG LEU 20 HG LEU 20 21.797 14.311 -13.445 174 HD11 LEU 20 HD11 LEU 20 24.104 15.081 -13.271 175 HD12 LEU 20 HD12 LEU 20 24.073 14.802 -11.529 176 HD13 LEU 20 HD13 LEU 20 23.034 16.036 -12.243 177 HD21 LEU 20 HD21 LEU 20 24.048 12.704 -12.750 178 HD22 LEU 20 HD22 LEU 20 22.702 12.322 -13.826 179 HD23 LEU 20 HD23 LEU 20 22.588 11.952 -12.104 180 H GLY 21 H GLY 21 20.787 15.503 -8.976 181 HA2 GLY 21 HA2 GLY 21 22.879 17.438 -8.782 182 HA3 GLY 21 HA3 GLY 21 21.269 17.575 -8.089 183 H LEU 22 H LEU 22 22.281 14.724 -6.959 184 HA LEU 22 HA LEU 22 23.705 15.886 -4.660 185 HB2 LEU 22 HB2 LEU 22 21.108 14.967 -4.607 186 HB3 LEU 22 HB3 LEU 22 22.033 13.588 -4.016 187 HG LEU 22 HG LEU 22 21.209 14.949 -2.176 188 HD11 LEU 22 HD11 LEU 22 23.189 15.031 -0.936 189 HD12 LEU 22 HD12 LEU 22 24.168 15.409 -2.353 190 HD13 LEU 22 HD13 LEU 22 23.486 13.794 -2.158 191 HD21 LEU 22 HD21 LEU 22 21.209 17.171 -2.200 192 HD22 LEU 22 HD22 LEU 22 21.813 17.095 -3.856 193 HD23 LEU 22 HD23 LEU 22 22.945 17.225 -2.508 194 H LYS 23 H LYS 23 24.770 14.518 -6.971 195 HA LYS 23 HA LYS 23 26.005 12.232 -5.594 196 HB2 LYS 23 HB2 LYS 23 24.344 11.440 -7.268 197 HB3 LYS 23 HB3 LYS 23 25.245 12.283 -8.520 198 HG2 LYS 23 HG2 LYS 23 26.688 10.611 -8.727 199 HG3 LYS 23 HG3 LYS 23 26.959 10.538 -6.984 200 HD2 LYS 23 HD2 LYS 23 25.329 8.952 -6.659 201 HD3 LYS 23 HD3 LYS 23 24.413 9.448 -8.084 202 HE2 LYS 23 HE2 LYS 23 26.918 8.555 -9.007 203 HE3 LYS 23 HE3 LYS 23 26.372 7.374 -7.819 204 HZ1 LYS 23 HZ1 LYS 23 24.509 6.863 -9.050 205 HZ2 LYS 23 HZ2 LYS 23 25.660 7.116 -10.264 206 HZ3 LYS 23 HZ3 LYS 23 24.527 8.321 -9.909 207 H ASP 24 H ASP 24 26.255 14.658 -8.150 208 HA ASP 24 HA ASP 24 29.140 14.256 -8.321 209 HB2 ASP 24 HB2 ASP 24 27.275 14.882 -10.224 210 HB3 ASP 24 HB3 ASP 24 27.958 16.466 -9.858 211 H GLN 25 H GLN 25 26.797 16.496 -7.049 212 HA GLN 25 HA GLN 25 28.750 18.559 -6.521 213 HB2 GLN 25 HB2 GLN 25 26.502 19.256 -7.043 214 HB3 GLN 25 HB3 GLN 25 25.846 18.267 -5.746 215 HG2 GLN 25 HG2 GLN 25 26.127 19.888 -4.264 216 HG3 GLN 25 HG3 GLN 25 27.812 20.110 -4.734 217 HE21 GLN 25 HE21 GLN 25 28.106 21.311 -6.835 218 HE22 GLN 25 HE22 GLN 25 27.093 22.687 -7.090 219 H VAL 26 H VAL 26 27.095 16.016 -4.751 220 HA VAL 26 HA VAL 26 27.752 16.771 -2.142 221 HB VAL 26 HB VAL 26 26.153 14.970 -2.682 222 HG11 VAL 26 HG11 VAL 26 26.905 12.769 -3.310 223 HG12 VAL 26 HG12 VAL 26 27.499 13.938 -4.492 224 HG13 VAL 26 HG13 VAL 26 28.589 13.290 -3.266 225 HG21 VAL 26 HG21 VAL 26 27.491 15.214 -0.466 226 HG22 VAL 26 HG22 VAL 26 26.535 13.759 -0.748 227 HG23 VAL 26 HG23 VAL 26 28.282 13.727 -0.989 228 HN1 NH2 27 HN1 NH2 27 29.531 16.584 -0.880 229 HN2 NH2 27 HN2 NH2 27 31.042 15.910 -1.397 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 -5.592 13.721 3.305 2 H2 ACE 1 H2 ACE 1 -5.902 14.050 5.025 3 H3 ACE 1 H3 ACE 1 -7.021 13.021 4.101 4 H LYS 2 H LYS 2 -6.929 15.808 5.531 5 HA LYS 2 HA LYS 2 -9.062 16.943 4.079 6 HB2 LYS 2 HB2 LYS 2 -7.269 18.024 6.249 7 HB3 LYS 2 HB3 LYS 2 -8.577 18.974 5.553 8 HG2 LYS 2 HG2 LYS 2 -9.935 16.751 6.162 9 HG3 LYS 2 HG3 LYS 2 -8.674 16.672 7.394 10 HD2 LYS 2 HD2 LYS 2 -9.731 19.349 7.160 11 HD3 LYS 2 HD3 LYS 2 -11.019 18.185 7.474 12 HE2 LYS 2 HE2 LYS 2 -10.059 19.103 9.545 13 HE3 LYS 2 HE3 LYS 2 -9.842 17.357 9.421 14 HZ1 LYS 2 HZ1 LYS 2 -7.587 17.599 8.948 15 HZ2 LYS 2 HZ2 LYS 2 -7.862 18.734 10.173 16 HZ3 LYS 2 HZ3 LYS 2 -7.731 19.240 8.565 17 H ARG 3 H ARG 3 -5.753 18.207 4.541 18 HA ARG 3 HA ARG 3 -6.065 20.115 2.423 19 HB2 ARG 3 HB2 ARG 3 -3.596 19.240 3.935 20 HB3 ARG 3 HB3 ARG 3 -3.682 20.615 2.841 21 HG2 ARG 3 HG2 ARG 3 -5.343 20.333 5.334 22 HG3 ARG 3 HG3 ARG 3 -3.813 21.209 5.247 23 HD2 ARG 3 HD2 ARG 3 -5.025 22.405 3.226 24 HD3 ARG 3 HD3 ARG 3 -6.470 21.893 4.097 25 HE ARG 3 HE ARG 3 -4.704 24.006 4.816 26 HH11 ARG 3 HH11 ARG 3 -7.083 22.397 7.604 27 HH12 ARG 3 HH12 ARG 3 -6.779 21.539 6.129 28 HH21 ARG 3 HH21 ARG 3 -6.126 24.447 7.957 29 HH22 ARG 3 HH22 ARG 3 -5.096 25.144 6.753 30 H ILE 4 H ILE 4 -4.619 20.220 0.548 31 HA ILE 4 HA ILE 4 -4.110 17.529 -0.537 32 HB ILE 4 HB ILE 4 -4.613 20.080 -2.076 33 HG12 ILE 4 HG12 ILE 4 -6.617 18.085 -2.483 34 HG13 ILE 4 HG13 ILE 4 -6.438 18.342 -0.752 35 HG21 ILE 4 HG21 ILE 4 -4.268 17.217 -2.942 36 HG22 ILE 4 HG22 ILE 4 -4.898 18.490 -3.986 37 HG23 ILE 4 HG23 ILE 4 -3.253 18.598 -3.359 38 HD11 ILE 4 HD11 ILE 4 -7.496 20.286 -0.850 39 HD12 ILE 4 HD12 ILE 4 -6.509 20.839 -2.203 40 HD13 ILE 4 HD13 ILE 4 -7.941 19.855 -2.501 41 H GLY 5 H GLY 5 -2.847 20.843 -0.415 42 HA2 GLY 5 HA2 GLY 5 -0.619 21.495 -0.243 43 HA3 GLY 5 HA3 GLY 5 -0.139 19.817 -0.456 44 H VAL 6 H VAL 6 1.516 20.987 -1.808 45 HA VAL 6 HA VAL 6 0.493 21.249 -4.561 46 HB VAL 6 HB VAL 6 2.321 22.880 -4.991 47 HG11 VAL 6 HG11 VAL 6 0.967 24.323 -2.890 48 HG12 VAL 6 HG12 VAL 6 0.820 24.485 -4.640 49 HG13 VAL 6 HG13 VAL 6 -0.152 23.291 -3.779 50 HG21 VAL 6 HG21 VAL 6 3.649 23.784 -3.308 51 HG22 VAL 6 HG22 VAL 6 2.595 23.196 -2.024 52 HG23 VAL 6 HG23 VAL 6 3.615 22.066 -2.914 53 H ARG 7 H ARG 7 1.437 18.852 -3.383 54 HA ARG 7 HA ARG 7 3.236 17.965 -5.334 55 HB2 ARG 7 HB2 ARG 7 4.602 19.417 -3.476 56 HB3 ARG 7 HB3 ARG 7 4.720 17.801 -2.793 57 HG2 ARG 7 HG2 ARG 7 5.295 17.928 -5.657 58 HG3 ARG 7 HG3 ARG 7 6.409 18.853 -4.647 59 HD2 ARG 7 HD2 ARG 7 7.143 16.979 -3.511 60 HD3 ARG 7 HD3 ARG 7 5.681 16.062 -3.874 61 HE ARG 7 HE ARG 7 6.639 15.374 -5.839 62 HH11 ARG 7 HH11 ARG 7 9.756 17.880 -5.683 63 HH12 ARG 7 HH12 ARG 7 8.465 18.038 -4.540 64 HH21 ARG 7 HH21 ARG 7 9.681 16.241 -7.281 65 HH22 ARG 7 HH22 ARG 7 8.335 15.155 -7.350 66 H LEU 8 H LEU 8 2.176 16.088 -5.546 67 HA LEU 8 HA LEU 8 1.155 14.615 -3.315 68 HB2 LEU 8 HB2 LEU 8 1.293 14.179 -6.266 69 HB3 LEU 8 HB3 LEU 8 0.869 12.837 -5.205 70 HG LEU 8 HG LEU 8 -0.633 15.451 -5.272 71 HD11 LEU 8 HD11 LEU 8 -0.698 14.252 -7.455 72 HD12 LEU 8 HD12 LEU 8 -2.267 14.395 -6.662 73 HD13 LEU 8 HD13 LEU 8 -1.393 12.864 -6.616 74 HD21 LEU 8 HD21 LEU 8 -0.733 13.964 -3.227 75 HD22 LEU 8 HD22 LEU 8 -1.525 12.765 -4.250 76 HD23 LEU 8 HD23 LEU 8 -2.277 14.341 -3.993 77 HA PRO 9 HA PRO 9 4.521 11.969 -2.350 78 HB2 PRO 9 HB2 PRO 9 3.267 9.613 -1.847 79 HB3 PRO 9 HB3 PRO 9 3.174 11.003 -0.759 80 HG2 PRO 9 HG2 PRO 9 1.203 10.065 -2.808 81 HG3 PRO 9 HG3 PRO 9 0.910 10.648 -1.159 82 HD2 PRO 9 HD2 PRO 9 0.551 12.211 -3.340 83 HD3 PRO 9 HD3 PRO 9 1.079 12.862 -1.775 84 H GLY 10 H GLY 10 5.038 9.379 -2.771 85 HA2 GLY 10 HA2 GLY 10 5.896 7.931 -4.331 86 HA3 GLY 10 HA3 GLY 10 4.421 8.241 -5.232 87 H HIS 11 H HIS 11 7.171 10.343 -4.412 88 HA HIS 11 HA HIS 11 7.219 11.670 -6.868 89 HB2 HIS 11 HB2 HIS 11 9.638 11.239 -5.115 90 HB3 HIS 11 HB3 HIS 11 9.306 12.601 -6.181 91 HD1 HIS 11 HD1 HIS 11 6.234 12.706 -4.984 92 HD2 HIS 11 HD2 HIS 11 9.838 13.052 -2.947 93 HE1 HIS 11 HE1 HIS 11 5.694 13.956 -2.870 94 H GLN 12 H GLN 12 7.851 11.067 -8.827 95 HA GLN 12 HA GLN 12 9.875 8.957 -9.086 96 HB2 GLN 12 HB2 GLN 12 7.090 8.920 -10.037 97 HB3 GLN 12 HB3 GLN 12 8.284 8.471 -11.249 98 HG2 GLN 12 HG2 GLN 12 7.866 7.183 -8.563 99 HG3 GLN 12 HG3 GLN 12 7.478 6.501 -10.141 100 HE21 GLN 12 HE21 GLN 12 9.739 6.641 -7.707 101 HE22 GLN 12 HE22 GLN 12 11.095 5.990 -8.558 102 H LYS 13 H LYS 13 10.824 8.868 -11.292 103 HA LYS 13 HA LYS 13 11.794 9.823 -13.122 104 HB2 LYS 13 HB2 LYS 13 9.924 12.167 -12.888 105 HB3 LYS 13 HB3 LYS 13 10.682 11.509 -14.333 106 HG2 LYS 13 HG2 LYS 13 9.225 9.382 -13.532 107 HG3 LYS 13 HG3 LYS 13 8.212 10.710 -12.961 108 HD2 LYS 13 HD2 LYS 13 8.659 11.667 -15.364 109 HD3 LYS 13 HD3 LYS 13 8.996 9.975 -15.744 110 HE2 LYS 13 HE2 LYS 13 6.832 9.434 -15.693 111 HE3 LYS 13 HE3 LYS 13 6.573 10.295 -14.177 112 HZ1 LYS 13 HZ1 LYS 13 6.689 12.372 -15.687 113 HZ2 LYS 13 HZ2 LYS 13 5.262 11.464 -15.637 114 HZ3 LYS 13 HZ3 LYS 13 6.331 11.289 -16.935 115 H ARG 14 H ARG 14 10.769 12.674 -11.241 116 HA ARG 14 HA ARG 14 13.242 14.000 -11.518 117 HB2 ARG 14 HB2 ARG 14 10.886 14.918 -10.881 118 HB3 ARG 14 HB3 ARG 14 11.374 14.539 -9.234 119 HG2 ARG 14 HG2 ARG 14 13.348 15.983 -9.511 120 HG3 ARG 14 HG3 ARG 14 12.788 16.399 -11.133 121 HD2 ARG 14 HD2 ARG 14 11.077 17.698 -10.359 122 HD3 ARG 14 HD3 ARG 14 10.891 16.759 -8.878 123 HE ARG 14 HE ARG 14 12.398 18.145 -7.849 124 HH11 ARG 14 HH11 ARG 14 13.607 20.000 -11.185 125 HH12 ARG 14 HH12 ARG 14 12.567 18.617 -11.294 126 HH21 ARG 14 HH21 ARG 14 14.291 20.762 -9.135 127 HH22 ARG 14 HH22 ARG 14 13.768 19.962 -7.692 128 HN MK8 15 HNA MK8 15 12.102 11.573 -9.218 129 HB MK8 15 HB MK8 15 12.128 9.939 -7.286 130 HBA MK8 15 HBA MK8 15 13.215 9.201 -8.422 131 HD MK8 15 HD MK8 15 15.975 9.728 -6.369 132 HDA MK8 15 HDA MK8 15 15.660 8.297 -5.443 133 HE MK8 15 HE MK8 15 15.027 7.325 -7.968 134 HG MK8 15 HG MK8 15 13.653 9.609 -5.415 135 HGA MK8 15 HGA MK8 15 13.365 8.112 -6.241 136 HB1 MK8 15 HB1 MK8 15 14.452 11.741 -5.833 137 HB1A MK8 15 HB1A MK8 15 13.989 13.158 -6.764 138 HB1B MK8 15 HB1B MK8 15 12.742 12.106 -6.105 139 H ALA 16 H ALA 16 14.304 10.102 -9.943 140 HA ALA 16 HA ALA 16 16.950 9.372 -9.776 141 HB1 ALA 16 HB1 ALA 16 16.420 10.045 -12.490 142 HB2 ALA 16 HB2 ALA 16 16.448 8.454 -11.730 143 HB3 ALA 16 HB3 ALA 16 14.949 9.383 -11.776 144 H TYR 17 H TYR 17 15.615 12.380 -11.111 145 HA TYR 17 HA TYR 17 18.061 13.484 -11.952 146 HB2 TYR 17 HB2 TYR 17 15.722 14.255 -12.575 147 HB3 TYR 17 HB3 TYR 17 15.668 15.066 -11.015 148 HD1 TYR 17 HD1 TYR 17 16.453 15.450 -14.413 149 HD2 TYR 17 HD2 TYR 17 17.727 16.659 -10.536 150 HE1 TYR 17 HE1 TYR 17 17.578 17.403 -15.397 151 HE2 TYR 17 HE2 TYR 17 18.853 18.616 -11.511 152 HH TYR 17 HH TYR 17 18.284 19.941 -14.151 153 H SER 18 H SER 18 16.218 13.913 -8.945 154 HA SER 18 HA SER 18 17.879 15.765 -7.705 155 HB2 SER 18 HB2 SER 18 15.571 14.685 -6.985 156 HB3 SER 18 HB3 SER 18 16.619 13.615 -6.053 157 HG SER 18 HG SER 18 16.908 15.174 -4.689 158 HN MK8 19 HNA MK8 19 18.234 12.249 -8.043 159 HB MK8 19 HB MK8 19 20.065 10.283 -8.812 160 HBA MK8 19 HBA MK8 19 20.737 9.689 -7.323 161 HD MK8 19 HD MK8 19 19.116 7.934 -8.457 162 HDA MK8 19 HDA MK8 19 18.875 7.606 -6.766 163 HE MK8 19 HE MK8 19 17.132 6.885 -8.789 164 HG MK8 19 HG MK8 19 18.294 9.879 -6.323 165 HGA MK8 19 HGA MK8 19 17.835 10.158 -7.991 166 HB1 MK8 19 HB1 MK8 19 21.284 11.022 -5.497 167 HB1A MK8 19 HB1A MK8 19 20.606 12.613 -5.238 168 HB1B MK8 19 HB1B MK8 19 19.560 11.225 -5.159 169 H LEU 20 H LEU 20 20.267 12.689 -9.547 170 HA LEU 20 HA LEU 20 22.922 12.959 -10.231 171 HB2 LEU 20 HB2 LEU 20 20.661 13.301 -11.563 172 HB3 LEU 20 HB3 LEU 20 21.005 14.998 -11.237 173 HG LEU 20 HG LEU 20 21.798 14.386 -13.440 174 HD11 LEU 20 HD11 LEU 20 23.143 15.862 -11.723 175 HD12 LEU 20 HD12 LEU 20 23.804 15.466 -13.308 176 HD13 LEU 20 HD13 LEU 20 24.326 14.564 -11.886 177 HD21 LEU 20 HD21 LEU 20 23.782 12.496 -12.241 178 HD22 LEU 20 HD22 LEU 20 23.228 12.628 -13.910 179 HD23 LEU 20 HD23 LEU 20 22.169 11.935 -12.680 180 H GLY 21 H GLY 21 20.777 15.527 -8.991 181 HA2 GLY 21 HA2 GLY 21 22.873 17.450 -8.790 182 HA3 GLY 21 HA3 GLY 21 21.269 17.585 -8.084 183 H LEU 22 H LEU 22 22.257 14.732 -6.965 184 HA LEU 22 HA LEU 22 23.719 15.871 -4.678 185 HB2 LEU 22 HB2 LEU 22 21.112 15.004 -4.595 186 HB3 LEU 22 HB3 LEU 22 22.012 13.595 -4.035 187 HG LEU 22 HG LEU 22 23.138 15.478 -2.491 188 HD11 LEU 22 HD11 LEU 22 20.453 16.518 -3.289 189 HD12 LEU 22 HD12 LEU 22 21.971 17.386 -3.058 190 HD13 LEU 22 HD13 LEU 22 21.067 16.806 -1.660 191 HD21 LEU 22 HD21 LEU 22 20.924 14.829 -1.008 192 HD22 LEU 22 HD22 LEU 22 22.378 13.844 -1.169 193 HD23 LEU 22 HD23 LEU 22 20.983 13.533 -2.204 194 H LYS 23 H LYS 23 24.764 14.507 -6.989 195 HA LYS 23 HA LYS 23 25.901 12.141 -5.655 196 HB2 LYS 23 HB2 LYS 23 24.351 11.451 -7.443 197 HB3 LYS 23 HB3 LYS 23 25.265 12.412 -8.599 198 HG2 LYS 23 HG2 LYS 23 27.212 10.833 -7.533 199 HG3 LYS 23 HG3 LYS 23 25.812 9.757 -7.508 200 HD2 LYS 23 HD2 LYS 23 25.529 10.749 -9.970 201 HD3 LYS 23 HD3 LYS 23 27.276 10.925 -9.805 202 HE2 LYS 23 HE2 LYS 23 27.250 8.803 -10.598 203 HE3 LYS 23 HE3 LYS 23 27.013 8.427 -8.892 204 HZ1 LYS 23 HZ1 LYS 23 25.078 8.356 -11.096 205 HZ2 LYS 23 HZ2 LYS 23 24.517 8.689 -9.535 206 HZ3 LYS 23 HZ3 LYS 23 25.330 7.240 -9.850 207 H ASP 24 H ASP 24 26.371 14.714 -8.029 208 HA ASP 24 HA ASP 24 29.221 14.212 -8.184 209 HB2 ASP 24 HB2 ASP 24 27.626 15.090 -10.067 210 HB3 ASP 24 HB3 ASP 24 27.902 16.656 -9.311 211 H GLN 25 H GLN 25 27.026 16.361 -6.541 212 HA GLN 25 HA GLN 25 29.147 18.119 -5.639 213 HB2 GLN 25 HB2 GLN 25 26.866 18.970 -6.177 214 HB3 GLN 25 HB3 GLN 25 26.241 18.056 -4.811 215 HG2 GLN 25 HG2 GLN 25 26.712 19.728 -3.451 216 HG3 GLN 25 HG3 GLN 25 28.416 19.636 -3.901 217 HE21 GLN 25 HE21 GLN 25 29.160 21.542 -4.460 218 HE22 GLN 25 HE22 GLN 25 28.321 22.741 -5.378 219 H VAL 26 H VAL 26 27.068 15.589 -4.327 220 HA VAL 26 HA VAL 26 27.702 15.825 -1.626 221 HB VAL 26 HB VAL 26 25.933 14.337 -2.558 222 HG11 VAL 26 HG11 VAL 26 27.571 13.382 -4.302 223 HG12 VAL 26 HG12 VAL 26 28.067 12.284 -3.013 224 HG13 VAL 26 HG13 VAL 26 26.394 12.293 -3.571 225 HG21 VAL 26 HG21 VAL 26 26.825 14.168 -0.221 226 HG22 VAL 26 HG22 VAL 26 26.099 12.686 -0.845 227 HG23 VAL 26 HG23 VAL 26 27.854 12.848 -0.778 228 HN1 NH2 27 HN1 NH2 27 29.529 14.470 -4.288 229 HN2 NH2 27 HN2 NH2 27 30.914 13.982 -3.369 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -14.261 18.128 -19.864 2 H2 ACE 1 H2 ACE 1 -14.575 18.722 -18.215 3 H3 ACE 1 H3 ACE 1 -13.223 19.392 -19.159 4 H LYS 2 H LYS 2 -12.682 16.681 -20.230 5 HA LYS 2 HA LYS 2 -11.924 15.031 -18.025 6 HB2 LYS 2 HB2 LYS 2 -11.819 14.902 -20.942 7 HB3 LYS 2 HB3 LYS 2 -10.403 14.191 -20.179 8 HG2 LYS 2 HG2 LYS 2 -12.459 13.156 -18.694 9 HG3 LYS 2 HG3 LYS 2 -13.146 13.219 -20.319 10 HD2 LYS 2 HD2 LYS 2 -10.410 12.088 -19.842 11 HD3 LYS 2 HD3 LYS 2 -11.855 11.103 -19.603 12 HE2 LYS 2 HE2 LYS 2 -12.525 11.816 -21.957 13 HE3 LYS 2 HE3 LYS 2 -10.870 12.401 -22.129 14 HZ1 LYS 2 HZ1 LYS 2 -11.846 9.764 -22.363 15 HZ2 LYS 2 HZ2 LYS 2 -10.712 9.826 -21.110 16 HZ3 LYS 2 HZ3 LYS 2 -10.286 10.347 -22.661 17 H ARG 3 H ARG 3 -10.057 16.978 -20.356 18 HA ARG 3 HA ARG 3 -7.666 16.692 -18.731 19 HB2 ARG 3 HB2 ARG 3 -8.196 18.056 -21.373 20 HB3 ARG 3 HB3 ARG 3 -6.637 18.103 -20.560 21 HG2 ARG 3 HG2 ARG 3 -7.548 15.394 -20.742 22 HG3 ARG 3 HG3 ARG 3 -7.598 16.157 -22.332 23 HD2 ARG 3 HD2 ARG 3 -5.222 17.018 -21.668 24 HD3 ARG 3 HD3 ARG 3 -5.269 15.677 -20.525 25 HE ARG 3 HE ARG 3 -5.989 14.593 -22.940 26 HH11 ARG 3 HH11 ARG 3 -2.112 15.576 -22.768 27 HH12 ARG 3 HH12 ARG 3 -3.243 16.338 -21.698 28 HH21 ARG 3 HH21 ARG 3 -2.833 14.011 -24.275 29 HH22 ARG 3 HH22 ARG 3 -4.509 13.584 -24.352 30 H ILE 4 H ILE 4 -8.266 17.832 -16.857 31 HA ILE 4 HA ILE 4 -8.970 20.642 -17.087 32 HB ILE 4 HB ILE 4 -8.527 18.935 -14.634 33 HG12 ILE 4 HG12 ILE 4 -10.477 18.276 -16.014 34 HG13 ILE 4 HG13 ILE 4 -10.953 18.915 -14.445 35 HG21 ILE 4 HG21 ILE 4 -9.007 21.808 -15.010 36 HG22 ILE 4 HG22 ILE 4 -10.042 21.025 -13.817 37 HG23 ILE 4 HG23 ILE 4 -8.288 20.944 -13.652 38 HD11 ILE 4 HD11 ILE 4 -12.240 20.413 -15.429 39 HD12 ILE 4 HD12 ILE 4 -10.859 21.055 -16.317 40 HD13 ILE 4 HD13 ILE 4 -11.807 19.731 -16.997 41 H GLY 5 H GLY 5 -6.184 18.674 -16.441 42 HA2 GLY 5 HA2 GLY 5 -4.588 21.133 -16.162 43 HA3 GLY 5 HA3 GLY 5 -4.351 19.802 -15.039 44 H VAL 6 H VAL 6 -2.969 21.220 -17.562 45 HA VAL 6 HA VAL 6 -2.392 19.099 -19.343 46 HB VAL 6 HB VAL 6 -0.517 20.512 -20.120 47 HG11 VAL 6 HG11 VAL 6 -2.373 21.100 -21.295 48 HG12 VAL 6 HG12 VAL 6 -3.296 21.513 -19.848 49 HG13 VAL 6 HG13 VAL 6 -2.080 22.630 -20.471 50 HG21 VAL 6 HG21 VAL 6 -1.343 22.293 -17.830 51 HG22 VAL 6 HG22 VAL 6 0.200 21.459 -18.015 52 HG23 VAL 6 HG23 VAL 6 -0.238 22.760 -19.123 53 H ARG 7 H ARG 7 -0.522 17.835 -19.557 54 HA ARG 7 HA ARG 7 1.152 16.478 -18.827 55 HB2 ARG 7 HB2 ARG 7 1.949 19.057 -18.246 56 HB3 ARG 7 HB3 ARG 7 2.155 18.227 -16.711 57 HG2 ARG 7 HG2 ARG 7 3.846 16.927 -17.481 58 HG3 ARG 7 HG3 ARG 7 3.206 16.875 -19.124 59 HD2 ARG 7 HD2 ARG 7 4.932 18.266 -19.546 60 HD3 ARG 7 HD3 ARG 7 3.813 19.487 -18.945 61 HE ARG 7 HE ARG 7 5.275 18.395 -16.797 62 HH11 ARG 7 HH11 ARG 7 6.943 21.404 -18.845 63 HH12 ARG 7 HH12 ARG 7 5.658 20.486 -19.554 64 HH21 ARG 7 HH21 ARG 7 7.689 20.896 -16.738 65 HH22 ARG 7 HH22 ARG 7 6.968 19.595 -15.852 66 H LEU 8 H LEU 8 2.175 15.561 -16.681 67 HA LEU 8 HA LEU 8 -0.040 15.143 -14.785 68 HB2 LEU 8 HB2 LEU 8 1.966 13.271 -15.959 69 HB3 LEU 8 HB3 LEU 8 1.307 12.942 -14.358 70 HG LEU 8 HG LEU 8 0.143 11.693 -16.116 71 HD11 LEU 8 HD11 LEU 8 -2.131 12.303 -15.485 72 HD12 LEU 8 HD12 LEU 8 -1.550 13.837 -14.840 73 HD13 LEU 8 HD13 LEU 8 -1.057 12.321 -14.086 74 HD21 LEU 8 HD21 LEU 8 0.503 13.512 -17.853 75 HD22 LEU 8 HD22 LEU 8 -0.888 14.326 -17.136 76 HD23 LEU 8 HD23 LEU 8 -1.074 12.722 -17.847 77 HA PRO 9 HA PRO 9 2.490 16.451 -11.448 78 HB2 PRO 9 HB2 PRO 9 1.763 14.738 -9.470 79 HB3 PRO 9 HB3 PRO 9 0.708 16.029 -10.060 80 HG2 PRO 9 HG2 PRO 9 0.699 13.113 -10.743 81 HG3 PRO 9 HG3 PRO 9 -0.671 14.188 -10.405 82 HD2 PRO 9 HD2 PRO 9 0.057 13.500 -12.921 83 HD3 PRO 9 HD3 PRO 9 -0.658 15.077 -12.531 84 H GLY 10 H GLY 10 3.821 15.331 -9.501 85 HA2 GLY 10 HA2 GLY 10 5.909 13.849 -10.847 86 HA3 GLY 10 HA3 GLY 10 5.950 14.448 -9.196 87 H HIS 11 H HIS 11 6.842 11.886 -10.025 88 HA HIS 11 HA HIS 11 5.170 10.254 -8.289 89 HB2 HIS 11 HB2 HIS 11 5.693 9.660 -11.189 90 HB3 HIS 11 HB3 HIS 11 5.433 8.350 -10.041 91 HD1 HIS 11 HD1 HIS 11 3.666 11.331 -11.534 92 HD2 HIS 11 HD2 HIS 11 2.807 7.904 -9.348 93 HE1 HIS 11 HE1 HIS 11 1.157 11.170 -11.493 94 H GLN 12 H GLN 12 7.771 9.499 -10.597 95 HA GLN 12 HA GLN 12 9.741 9.277 -8.515 96 HB2 GLN 12 HB2 GLN 12 8.350 7.134 -8.419 97 HB3 GLN 12 HB3 GLN 12 9.055 6.737 -9.981 98 HG2 GLN 12 HG2 GLN 12 10.662 5.743 -8.812 99 HG3 GLN 12 HG3 GLN 12 11.256 7.372 -8.493 100 HE21 GLN 12 HE21 GLN 12 9.013 4.934 -7.250 101 HE22 GLN 12 HE22 GLN 12 9.245 5.317 -5.582 102 H LYS 13 H LYS 13 9.272 10.582 -11.143 103 HA LYS 13 HA LYS 13 11.319 9.383 -12.837 104 HB2 LYS 13 HB2 LYS 13 9.017 11.044 -13.265 105 HB3 LYS 13 HB3 LYS 13 10.439 11.839 -13.927 106 HG2 LYS 13 HG2 LYS 13 10.529 9.104 -14.680 107 HG3 LYS 13 HG3 LYS 13 8.917 9.728 -15.038 108 HD2 LYS 13 HD2 LYS 13 10.029 10.280 -16.970 109 HD3 LYS 13 HD3 LYS 13 10.263 11.754 -16.025 110 HE2 LYS 13 HE2 LYS 13 12.405 11.378 -16.738 111 HE3 LYS 13 HE3 LYS 13 12.424 10.497 -15.212 112 HZ1 LYS 13 HZ1 LYS 13 12.620 9.503 -17.916 113 HZ2 LYS 13 HZ2 LYS 13 11.563 8.622 -16.932 114 HZ3 LYS 13 HZ3 LYS 13 13.179 8.825 -16.471 115 H ARG 14 H ARG 14 10.638 12.620 -11.496 116 HA ARG 14 HA ARG 14 13.255 13.598 -12.035 117 HB2 ARG 14 HB2 ARG 14 10.821 14.709 -11.275 118 HB3 ARG 14 HB3 ARG 14 11.866 14.988 -9.890 119 HG2 ARG 14 HG2 ARG 14 13.502 16.077 -11.340 120 HG3 ARG 14 HG3 ARG 14 12.452 15.797 -12.730 121 HD2 ARG 14 HD2 ARG 14 12.032 18.015 -12.084 122 HD3 ARG 14 HD3 ARG 14 10.675 17.087 -11.446 123 HE ARG 14 HE ARG 14 12.807 17.392 -9.558 124 HH11 ARG 14 HH11 ARG 14 9.692 19.903 -9.535 125 HH12 ARG 14 HH12 ARG 14 9.988 18.909 -10.922 126 HH21 ARG 14 HH21 ARG 14 11.080 19.783 -7.718 127 HH22 ARG 14 HH22 ARG 14 12.428 18.696 -7.725 128 HN MK8 15 HNA MK8 15 12.037 11.509 -9.553 129 HB MK8 15 HB MK8 15 12.011 10.068 -7.311 130 HBA MK8 15 HBA MK8 15 12.919 9.342 -8.609 131 HD MK8 15 HD MK8 15 14.444 7.376 -7.741 132 HDA MK8 15 HDA MK8 15 15.552 8.698 -7.997 133 HE MK8 15 HE MK8 15 15.350 7.162 -5.348 134 HG MK8 15 HG MK8 15 14.346 9.840 -5.948 135 HGA MK8 15 HGA MK8 15 13.188 8.546 -6.062 136 HB1 MK8 15 HB1 MK8 15 12.387 12.315 -6.491 137 HB1A MK8 15 HB1A MK8 15 14.057 12.006 -6.010 138 HB1B MK8 15 HB1B MK8 15 13.682 13.338 -7.095 139 H ALA 16 H ALA 16 14.345 10.209 -10.075 140 HA ALA 16 HA ALA 16 16.971 9.535 -9.660 141 HB1 ALA 16 HB1 ALA 16 16.379 10.369 -12.416 142 HB2 ALA 16 HB2 ALA 16 16.953 8.822 -11.794 143 HB3 ALA 16 HB3 ALA 16 15.238 9.223 -11.714 144 H TYR 17 H TYR 17 15.734 12.539 -11.094 145 HA TYR 17 HA TYR 17 18.185 13.706 -11.737 146 HB2 TYR 17 HB2 TYR 17 15.572 14.442 -12.005 147 HB3 TYR 17 HB3 TYR 17 16.115 15.565 -10.764 148 HD1 TYR 17 HD1 TYR 17 17.167 17.533 -11.394 149 HD2 TYR 17 HD2 TYR 17 17.085 14.273 -14.127 150 HE1 TYR 17 HE1 TYR 17 18.176 18.964 -13.124 151 HE2 TYR 17 HE2 TYR 17 18.095 15.694 -15.863 152 HH TYR 17 HH TYR 17 18.938 19.083 -15.201 153 H SER 18 H SER 18 16.275 13.915 -8.753 154 HA SER 18 HA SER 18 17.849 15.731 -7.361 155 HB2 SER 18 HB2 SER 18 15.587 14.338 -6.786 156 HB3 SER 18 HB3 SER 18 16.749 13.515 -5.748 157 HG SER 18 HG SER 18 16.649 15.165 -4.473 158 HN MK8 19 HNA MK8 19 18.289 12.239 -7.852 159 HB MK8 19 HB MK8 19 19.678 10.228 -8.504 160 HBA MK8 19 HBA MK8 19 20.780 9.694 -7.281 161 HD MK8 19 HD MK8 19 17.749 8.397 -8.101 162 HDA MK8 19 HDA MK8 19 19.041 7.628 -7.215 163 HE MK8 19 HE MK8 19 17.688 7.253 -5.249 164 HG MK8 19 HG MK8 19 19.025 9.539 -5.586 165 HGA MK8 19 HGA MK8 19 17.857 10.364 -6.596 166 HB1 MK8 19 HB1 MK8 19 20.945 12.670 -5.179 167 HB1A MK8 19 HB1A MK8 19 19.677 11.521 -4.901 168 HB1B MK8 19 HB1B MK8 19 21.312 10.968 -5.318 169 H LEU 20 H LEU 20 20.234 12.693 -9.375 170 HA LEU 20 HA LEU 20 22.847 12.959 -10.191 171 HB2 LEU 20 HB2 LEU 20 20.534 13.307 -11.414 172 HB3 LEU 20 HB3 LEU 20 20.878 15.003 -11.085 173 HG LEU 20 HG LEU 20 21.627 14.596 -13.281 174 HD11 LEU 20 HD11 LEU 20 23.986 15.035 -13.162 175 HD12 LEU 20 HD12 LEU 20 24.069 14.367 -11.531 176 HD13 LEU 20 HD13 LEU 20 23.183 15.864 -11.828 177 HD21 LEU 20 HD21 LEU 20 21.811 11.991 -12.589 178 HD22 LEU 20 HD22 LEU 20 23.517 12.432 -12.647 179 HD23 LEU 20 HD23 LEU 20 22.495 12.673 -14.064 180 H GLY 21 H GLY 21 20.781 15.551 -8.868 181 HA2 GLY 21 HA2 GLY 21 22.876 17.468 -8.766 182 HA3 GLY 21 HA3 GLY 21 21.325 17.587 -7.947 183 H LEU 22 H LEU 22 22.344 14.743 -6.892 184 HA LEU 22 HA LEU 22 23.993 15.861 -4.726 185 HB2 LEU 22 HB2 LEU 22 21.394 15.022 -4.450 186 HB3 LEU 22 HB3 LEU 22 22.313 13.596 -3.974 187 HG LEU 22 HG LEU 22 23.442 15.834 -2.644 188 HD11 LEU 22 HD11 LEU 22 21.527 16.607 -1.340 189 HD12 LEU 22 HD12 LEU 22 20.447 15.652 -2.354 190 HD13 LEU 22 HD13 LEU 22 21.342 17.001 -3.049 191 HD21 LEU 22 HD21 LEU 22 21.648 13.788 -1.389 192 HD22 LEU 22 HD22 LEU 22 23.108 14.537 -0.741 193 HD23 LEU 22 HD23 LEU 22 23.228 13.343 -2.034 194 H LYS 23 H LYS 23 24.873 14.509 -7.100 195 HA LYS 23 HA LYS 23 26.200 12.220 -5.831 196 HB2 LYS 23 HB2 LYS 23 24.576 12.223 -8.325 197 HB3 LYS 23 HB3 LYS 23 26.047 11.260 -8.321 198 HG2 LYS 23 HG2 LYS 23 25.227 10.120 -6.272 199 HG3 LYS 23 HG3 LYS 23 23.711 11.009 -6.439 200 HD2 LYS 23 HD2 LYS 23 23.148 9.084 -7.535 201 HD3 LYS 23 HD3 LYS 23 23.812 10.008 -8.886 202 HE2 LYS 23 HE2 LYS 23 24.725 7.794 -8.961 203 HE3 LYS 23 HE3 LYS 23 26.004 8.907 -8.479 204 HZ1 LYS 23 HZ1 LYS 23 25.971 8.140 -6.312 205 HZ2 LYS 23 HZ2 LYS 23 25.737 6.720 -7.199 206 HZ3 LYS 23 HZ3 LYS 23 24.422 7.471 -6.447 207 H ASP 24 H ASP 24 26.151 14.496 -8.545 208 HA ASP 24 HA ASP 24 28.907 14.024 -9.212 209 HB2 ASP 24 HB2 ASP 24 26.774 15.064 -10.578 210 HB3 ASP 24 HB3 ASP 24 27.686 16.518 -10.181 211 H GLN 25 H GLN 25 27.091 16.437 -7.404 212 HA GLN 25 HA GLN 25 29.389 18.120 -6.976 213 HB2 GLN 25 HB2 GLN 25 26.522 18.162 -6.201 214 HB3 GLN 25 HB3 GLN 25 27.641 19.035 -5.162 215 HG2 GLN 25 HG2 GLN 25 28.051 19.572 -7.994 216 HG3 GLN 25 HG3 GLN 25 26.442 20.011 -7.422 217 HE21 GLN 25 HE21 GLN 25 26.250 21.975 -6.639 218 HE22 GLN 25 HE22 GLN 25 27.518 22.933 -5.963 219 H VAL 26 H VAL 26 27.449 15.900 -4.995 220 HA VAL 26 HA VAL 26 28.894 16.232 -2.604 221 HB VAL 26 HB VAL 26 27.412 13.761 -3.511 222 HG11 VAL 26 HG11 VAL 26 28.519 14.678 -0.896 223 HG12 VAL 26 HG12 VAL 26 27.061 13.684 -0.923 224 HG13 VAL 26 HG13 VAL 26 28.557 13.078 -1.633 225 HG21 VAL 26 HG21 VAL 26 26.494 16.384 -2.468 226 HG22 VAL 26 HG22 VAL 26 25.724 15.293 -3.621 227 HG23 VAL 26 HG23 VAL 26 25.667 14.936 -1.895 228 HN1 NH2 27 HN1 NH2 27 29.479 14.300 -5.465 229 HN2 NH2 27 HN2 NH2 27 30.951 13.562 -4.926 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -14.539 19.083 2.826 2 H2 ACE 1 H2 ACE 1 -15.483 17.893 3.753 3 H3 ACE 1 H3 ACE 1 -14.395 19.021 4.599 4 H LYS 2 H LYS 2 -14.755 15.982 3.304 5 HA LYS 2 HA LYS 2 -12.204 15.106 4.099 6 HB2 LYS 2 HB2 LYS 2 -14.559 13.934 2.779 7 HB3 LYS 2 HB3 LYS 2 -13.035 13.158 2.370 8 HG2 LYS 2 HG2 LYS 2 -13.407 13.668 5.230 9 HG3 LYS 2 HG3 LYS 2 -14.567 12.541 4.522 10 HD2 LYS 2 HD2 LYS 2 -12.800 11.133 3.718 11 HD3 LYS 2 HD3 LYS 2 -11.578 12.314 4.193 12 HE2 LYS 2 HE2 LYS 2 -11.495 10.750 5.908 13 HE3 LYS 2 HE3 LYS 2 -12.534 12.014 6.569 14 HZ1 LYS 2 HZ1 LYS 2 -13.552 9.942 7.026 15 HZ2 LYS 2 HZ2 LYS 2 -13.368 9.406 5.432 16 HZ3 LYS 2 HZ3 LYS 2 -14.456 10.654 5.783 17 H ARG 3 H ARG 3 -10.428 15.920 3.154 18 HA ARG 3 HA ARG 3 -10.291 16.568 0.373 19 HB2 ARG 3 HB2 ARG 3 -7.858 16.929 0.858 20 HB3 ARG 3 HB3 ARG 3 -8.949 17.844 1.889 21 HG2 ARG 3 HG2 ARG 3 -7.939 17.009 3.668 22 HG3 ARG 3 HG3 ARG 3 -8.448 15.389 3.186 23 HD2 ARG 3 HD2 ARG 3 -6.450 15.057 1.925 24 HD3 ARG 3 HD3 ARG 3 -5.982 16.746 2.117 25 HE ARG 3 HE ARG 3 -6.178 15.749 4.668 26 HH11 ARG 3 HH11 ARG 3 -2.994 14.357 2.680 27 HH12 ARG 3 HH12 ARG 3 -4.355 14.976 1.805 28 HH21 ARG 3 HH21 ARG 3 -3.017 14.336 4.971 29 HH22 ARG 3 HH22 ARG 3 -4.392 14.938 5.832 30 H ILE 4 H ILE 4 -10.147 15.115 -1.193 31 HA ILE 4 HA ILE 4 -9.259 12.425 -0.693 32 HB ILE 4 HB ILE 4 -9.991 13.758 -3.302 33 HG12 ILE 4 HG12 ILE 4 -11.887 11.813 -2.424 34 HG13 ILE 4 HG13 ILE 4 -11.592 12.930 -1.095 35 HG21 ILE 4 HG21 ILE 4 -9.363 10.921 -2.567 36 HG22 ILE 4 HG22 ILE 4 -10.388 11.305 -3.950 37 HG23 ILE 4 HG23 ILE 4 -8.725 11.891 -3.894 38 HD11 ILE 4 HD11 ILE 4 -13.465 13.423 -2.814 39 HD12 ILE 4 HD12 ILE 4 -12.426 14.733 -2.252 40 HD13 ILE 4 HD13 ILE 4 -12.137 13.992 -3.826 41 H GLY 5 H GLY 5 -8.216 14.812 -3.140 42 HA2 GLY 5 HA2 GLY 5 -5.436 13.980 -2.636 43 HA3 GLY 5 HA3 GLY 5 -6.064 13.975 -4.277 44 H VAL 6 H VAL 6 -3.954 15.574 -2.697 45 HA VAL 6 HA VAL 6 -4.923 18.263 -3.406 46 HB VAL 6 HB VAL 6 -2.665 17.502 -1.548 47 HG11 VAL 6 HG11 VAL 6 -3.630 20.089 -2.641 48 HG12 VAL 6 HG12 VAL 6 -3.105 20.047 -0.956 49 HG13 VAL 6 HG13 VAL 6 -1.993 19.568 -2.240 50 HG21 VAL 6 HG21 VAL 6 -5.310 18.749 -0.833 51 HG22 VAL 6 HG22 VAL 6 -5.010 17.013 -0.758 52 HG23 VAL 6 HG23 VAL 6 -4.079 18.112 0.259 53 H ARG 7 H ARG 7 -4.309 18.707 -5.434 54 HA ARG 7 HA ARG 7 -2.988 19.102 -7.242 55 HB2 ARG 7 HB2 ARG 7 -1.482 19.841 -5.018 56 HB3 ARG 7 HB3 ARG 7 -0.391 18.840 -5.966 57 HG2 ARG 7 HG2 ARG 7 -1.319 20.376 -7.929 58 HG3 ARG 7 HG3 ARG 7 -1.553 21.489 -6.579 59 HD2 ARG 7 HD2 ARG 7 0.597 22.028 -6.748 60 HD3 ARG 7 HD3 ARG 7 0.989 20.397 -6.204 61 HE ARG 7 HE ARG 7 0.491 20.366 -8.972 62 HH11 ARG 7 HH11 ARG 7 4.174 21.383 -7.775 63 HH12 ARG 7 HH12 ARG 7 2.847 21.485 -6.666 64 HH21 ARG 7 HH21 ARG 7 3.821 20.668 -9.924 65 HH22 ARG 7 HH22 ARG 7 2.231 20.228 -10.443 66 H LEU 8 H LEU 8 -1.077 18.170 -8.535 67 HA LEU 8 HA LEU 8 -1.513 15.405 -8.874 68 HB2 LEU 8 HB2 LEU 8 0.339 17.425 -10.019 69 HB3 LEU 8 HB3 LEU 8 0.730 15.723 -10.254 70 HG LEU 8 HG LEU 8 -1.739 15.596 -11.132 71 HD11 LEU 8 HD11 LEU 8 -2.821 17.518 -11.330 72 HD12 LEU 8 HD12 LEU 8 -1.555 18.123 -12.398 73 HD13 LEU 8 HD13 LEU 8 -1.438 18.381 -10.657 74 HD21 LEU 8 HD21 LEU 8 -0.915 16.030 -13.392 75 HD22 LEU 8 HD22 LEU 8 0.255 15.109 -12.448 76 HD23 LEU 8 HD23 LEU 8 0.505 16.834 -12.724 77 HA PRO 9 HA PRO 9 1.379 13.441 -6.224 78 HB2 PRO 9 HB2 PRO 9 2.337 11.435 -7.782 79 HB3 PRO 9 HB3 PRO 9 0.699 11.438 -7.119 80 HG2 PRO 9 HG2 PRO 9 1.633 12.194 -9.860 81 HG3 PRO 9 HG3 PRO 9 0.218 11.237 -9.385 82 HD2 PRO 9 HD2 PRO 9 0.046 13.849 -10.077 83 HD3 PRO 9 HD3 PRO 9 -1.032 13.107 -8.878 84 H GLY 10 H GLY 10 3.721 12.474 -6.252 85 HA2 GLY 10 HA2 GLY 10 5.435 14.576 -7.358 86 HA3 GLY 10 HA3 GLY 10 5.873 13.445 -6.086 87 H HIS 11 H HIS 11 4.647 11.274 -7.885 88 HA HIS 11 HA HIS 11 5.425 9.704 -9.333 89 HB2 HIS 11 HB2 HIS 11 6.291 12.270 -10.586 90 HB3 HIS 11 HB3 HIS 11 6.917 10.764 -11.251 91 HD1 HIS 11 HD1 HIS 11 3.576 12.401 -10.496 92 HD2 HIS 11 HD2 HIS 11 5.242 9.539 -13.006 93 HE1 HIS 11 HE1 HIS 11 1.741 11.752 -12.088 94 H GLN 12 H GLN 12 7.580 8.886 -10.415 95 HA GLN 12 HA GLN 12 9.769 9.300 -8.487 96 HB2 GLN 12 HB2 GLN 12 8.305 6.962 -8.849 97 HB3 GLN 12 HB3 GLN 12 9.785 6.683 -9.755 98 HG2 GLN 12 HG2 GLN 12 10.381 5.894 -7.698 99 HG3 GLN 12 HG3 GLN 12 10.936 7.565 -7.585 100 HE21 GLN 12 HE21 GLN 12 10.475 8.483 -5.732 101 HE22 GLN 12 HE22 GLN 12 9.091 8.167 -4.747 102 H LYS 13 H LYS 13 9.271 10.535 -11.112 103 HA LYS 13 HA LYS 13 11.311 9.357 -12.826 104 HB2 LYS 13 HB2 LYS 13 9.086 11.245 -13.166 105 HB3 LYS 13 HB3 LYS 13 10.534 11.672 -14.069 106 HG2 LYS 13 HG2 LYS 13 10.492 9.245 -14.897 107 HG3 LYS 13 HG3 LYS 13 8.832 9.220 -14.298 108 HD2 LYS 13 HD2 LYS 13 8.229 11.046 -15.747 109 HD3 LYS 13 HD3 LYS 13 9.908 11.251 -16.253 110 HE2 LYS 13 HE2 LYS 13 9.367 8.585 -16.775 111 HE3 LYS 13 HE3 LYS 13 7.878 9.415 -17.225 112 HZ1 LYS 13 HZ1 LYS 13 9.692 11.011 -18.336 113 HZ2 LYS 13 HZ2 LYS 13 8.977 9.711 -19.148 114 HZ3 LYS 13 HZ3 LYS 13 10.507 9.532 -18.448 115 H ARG 14 H ARG 14 10.636 12.599 -11.492 116 HA ARG 14 HA ARG 14 13.250 13.572 -12.048 117 HB2 ARG 14 HB2 ARG 14 10.822 14.693 -11.298 118 HB3 ARG 14 HB3 ARG 14 11.862 14.976 -9.909 119 HG2 ARG 14 HG2 ARG 14 13.507 16.054 -11.359 120 HG3 ARG 14 HG3 ARG 14 12.457 15.775 -12.750 121 HD2 ARG 14 HD2 ARG 14 11.375 17.213 -10.372 122 HD3 ARG 14 HD3 ARG 14 12.438 18.075 -11.486 123 HE ARG 14 HE ARG 14 10.288 16.691 -12.792 124 HH11 ARG 14 HH11 ARG 14 10.025 20.596 -11.954 125 HH12 ARG 14 HH12 ARG 14 11.234 19.627 -11.180 126 HH21 ARG 14 HH21 ARG 14 8.578 19.645 -13.454 127 HH22 ARG 14 HH22 ARG 14 8.692 17.956 -13.818 128 HN MK8 15 HNA MK8 15 12.030 11.518 -9.547 129 HB MK8 15 HB MK8 15 12.003 10.080 -7.337 130 HBA MK8 15 HBA MK8 15 12.925 9.352 -8.625 131 HD MK8 15 HD MK8 15 14.434 7.382 -7.747 132 HDA MK8 15 HDA MK8 15 15.536 8.709 -8.000 133 HE MK8 15 HE MK8 15 15.334 7.172 -5.349 134 HG MK8 15 HG MK8 15 14.322 9.842 -5.948 135 HGA MK8 15 HGA MK8 15 13.164 8.548 -6.079 136 HB1 MK8 15 HB1 MK8 15 14.062 12.021 -6.019 137 HB1A MK8 15 HB1A MK8 15 13.662 13.346 -7.105 138 HB1B MK8 15 HB1B MK8 15 12.385 12.308 -6.494 139 H ALA 16 H ALA 16 14.347 10.247 -10.096 140 HA ALA 16 HA ALA 16 16.971 9.554 -9.691 141 HB1 ALA 16 HB1 ALA 16 15.232 9.271 -11.743 142 HB2 ALA 16 HB2 ALA 16 16.379 10.419 -12.437 143 HB3 ALA 16 HB3 ALA 16 16.947 8.864 -11.830 144 H TYR 17 H TYR 17 15.747 12.571 -11.112 145 HA TYR 17 HA TYR 17 18.203 13.738 -11.732 146 HB2 TYR 17 HB2 TYR 17 15.585 14.481 -11.993 147 HB3 TYR 17 HB3 TYR 17 16.147 15.607 -10.762 148 HD1 TYR 17 HD1 TYR 17 17.190 17.569 -11.420 149 HD2 TYR 17 HD2 TYR 17 17.100 14.281 -14.118 150 HE1 TYR 17 HE1 TYR 17 18.200 18.981 -13.163 151 HE2 TYR 17 HE2 TYR 17 18.111 15.682 -15.869 152 HH TYR 17 HH TYR 17 18.980 17.664 -16.368 153 H SER 18 H SER 18 16.277 13.936 -8.757 154 HA SER 18 HA SER 18 17.847 15.741 -7.347 155 HB2 SER 18 HB2 SER 18 15.601 14.235 -6.796 156 HB3 SER 18 HB3 SER 18 16.794 13.578 -5.677 157 HG SER 18 HG SER 18 15.431 15.631 -5.192 158 HN MK8 19 HNA MK8 19 18.291 12.253 -7.859 159 HB MK8 19 HB MK8 19 19.653 10.233 -8.493 160 HBA MK8 19 HBA MK8 19 20.775 9.696 -7.289 161 HD MK8 19 HD MK8 19 17.724 8.439 -8.090 162 HDA MK8 19 HDA MK8 19 19.013 7.638 -7.229 163 HE MK8 19 HE MK8 19 17.671 7.271 -5.244 164 HG MK8 19 HG MK8 19 19.047 9.524 -5.573 165 HGA MK8 19 HGA MK8 19 17.867 10.375 -6.548 166 HB1 MK8 19 HB1 MK8 19 21.308 10.969 -5.316 167 HB1A MK8 19 HB1A MK8 19 20.958 12.674 -5.187 168 HB1B MK8 19 HB1B MK8 19 19.678 11.538 -4.895 169 H LEU 20 H LEU 20 20.226 12.692 -9.369 170 HA LEU 20 HA LEU 20 22.840 12.949 -10.187 171 HB2 LEU 20 HB2 LEU 20 20.526 13.301 -11.408 172 HB3 LEU 20 HB3 LEU 20 20.877 14.998 -11.085 173 HG LEU 20 HG LEU 20 21.624 14.581 -13.281 174 HD11 LEU 20 HD11 LEU 20 23.939 15.084 -13.175 175 HD12 LEU 20 HD12 LEU 20 24.105 14.303 -11.603 176 HD13 LEU 20 HD13 LEU 20 23.195 15.805 -11.747 177 HD21 LEU 20 HD21 LEU 20 21.762 11.986 -12.627 178 HD22 LEU 20 HD22 LEU 20 23.480 12.386 -12.594 179 HD23 LEU 20 HD23 LEU 20 22.536 12.664 -14.059 180 H GLY 21 H GLY 21 20.780 15.548 -8.866 181 HA2 GLY 21 HA2 GLY 21 22.880 17.461 -8.770 182 HA3 GLY 21 HA3 GLY 21 21.331 17.584 -7.949 183 H LEU 22 H LEU 22 22.345 14.741 -6.891 184 HA LEU 22 HA LEU 22 24.000 15.859 -4.728 185 HB2 LEU 22 HB2 LEU 22 21.399 15.025 -4.448 186 HB3 LEU 22 HB3 LEU 22 22.315 13.598 -3.969 187 HG LEU 22 HG LEU 22 21.688 14.992 -2.051 188 HD11 LEU 22 HD11 LEU 22 24.110 15.373 -1.227 189 HD12 LEU 22 HD12 LEU 22 24.572 14.629 -2.757 190 HD13 LEU 22 HD13 LEU 22 23.581 13.733 -1.606 191 HD21 LEU 22 HD21 LEU 22 22.444 17.195 -1.748 192 HD22 LEU 22 HD22 LEU 22 21.817 17.148 -3.397 193 HD23 LEU 22 HD23 LEU 22 23.557 17.092 -3.111 194 H LYS 23 H LYS 23 24.872 14.498 -7.102 195 HA LYS 23 HA LYS 23 26.078 12.117 -5.859 196 HB2 LYS 23 HB2 LYS 23 24.729 12.404 -8.495 197 HB3 LYS 23 HB3 LYS 23 26.168 11.394 -8.432 198 HG2 LYS 23 HG2 LYS 23 24.047 10.962 -6.395 199 HG3 LYS 23 HG3 LYS 23 23.769 10.394 -8.044 200 HD2 LYS 23 HD2 LYS 23 26.288 9.496 -7.616 201 HD3 LYS 23 HD3 LYS 23 25.626 9.405 -5.982 202 HE2 LYS 23 HE2 LYS 23 23.593 8.301 -7.288 203 HE3 LYS 23 HE3 LYS 23 24.873 7.905 -8.432 204 HZ1 LYS 23 HZ1 LYS 23 24.548 7.026 -5.642 205 HZ2 LYS 23 HZ2 LYS 23 26.089 7.065 -6.335 206 HZ3 LYS 23 HZ3 LYS 23 24.879 6.103 -7.021 207 H ASP 24 H ASP 24 26.390 14.642 -8.318 208 HA ASP 24 HA ASP 24 29.249 14.150 -8.554 209 HB2 ASP 24 HB2 ASP 24 27.404 14.957 -10.381 210 HB3 ASP 24 HB3 ASP 24 28.088 16.507 -9.897 211 H GLN 25 H GLN 25 27.048 16.338 -7.008 212 HA GLN 25 HA GLN 25 29.320 17.978 -6.099 213 HB2 GLN 25 HB2 GLN 25 27.183 18.923 -7.389 214 HB3 GLN 25 HB3 GLN 25 26.526 18.940 -5.759 215 HG2 GLN 25 HG2 GLN 25 27.548 20.858 -5.379 216 HG3 GLN 25 HG3 GLN 25 29.106 20.069 -5.625 217 HE21 GLN 25 HE21 GLN 25 29.192 19.535 -8.230 218 HE22 GLN 25 HE22 GLN 25 29.090 20.979 -9.172 219 H VAL 26 H VAL 26 28.343 15.401 -5.001 220 HA VAL 26 HA VAL 26 26.999 15.964 -2.540 221 HB VAL 26 HB VAL 26 26.879 13.756 -3.670 222 HG11 VAL 26 HG11 VAL 26 28.658 12.399 -4.013 223 HG12 VAL 26 HG12 VAL 26 29.539 13.928 -3.988 224 HG13 VAL 26 HG13 VAL 26 29.478 12.920 -2.541 225 HG21 VAL 26 HG21 VAL 26 28.037 12.970 -1.108 226 HG22 VAL 26 HG22 VAL 26 26.910 14.322 -0.987 227 HG23 VAL 26 HG23 VAL 26 26.387 12.799 -1.707 228 HN1 NH2 27 HN1 NH2 27 30.331 15.794 -3.593 229 HN2 NH2 27 HN2 NH2 27 31.059 16.125 -2.057 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -4.159 27.235 5.791 2 H2 ACE 1 H2 ACE 1 -3.102 26.428 4.606 3 H3 ACE 1 H3 ACE 1 -4.817 26.714 4.220 4 H LYS 2 H LYS 2 -4.450 24.344 3.771 5 HA LYS 2 HA LYS 2 -5.083 22.812 6.208 6 HB2 LYS 2 HB2 LYS 2 -6.931 23.164 4.471 7 HB3 LYS 2 HB3 LYS 2 -6.004 22.091 3.431 8 HG2 LYS 2 HG2 LYS 2 -7.302 20.512 4.358 9 HG3 LYS 2 HG3 LYS 2 -6.115 20.593 5.662 10 HD2 LYS 2 HD2 LYS 2 -7.516 21.824 7.035 11 HD3 LYS 2 HD3 LYS 2 -8.482 22.422 5.685 12 HE2 LYS 2 HE2 LYS 2 -9.170 19.963 5.368 13 HE3 LYS 2 HE3 LYS 2 -8.543 19.725 6.997 14 HZ1 LYS 2 HZ1 LYS 2 -10.301 21.984 6.775 15 HZ2 LYS 2 HZ2 LYS 2 -10.313 20.712 7.890 16 HZ3 LYS 2 HZ3 LYS 2 -11.056 20.522 6.383 17 H ARG 3 H ARG 3 -2.451 23.295 4.991 18 HA ARG 3 HA ARG 3 -1.759 20.570 4.124 19 HB2 ARG 3 HB2 ARG 3 -0.248 23.166 3.775 20 HB3 ARG 3 HB3 ARG 3 0.332 21.588 3.258 21 HG2 ARG 3 HG2 ARG 3 -1.511 21.390 1.697 22 HG3 ARG 3 HG3 ARG 3 -2.167 22.933 2.252 23 HD2 ARG 3 HD2 ARG 3 0.645 22.864 1.289 24 HD3 ARG 3 HD3 ARG 3 -0.646 22.753 0.091 25 HE ARG 3 HE ARG 3 0.130 25.071 1.577 26 HH11 ARG 3 HH11 ARG 3 -3.407 24.957 -0.295 27 HH12 ARG 3 HH12 ARG 3 -2.539 23.488 -0.000 28 HH21 ARG 3 HH21 ARG 3 -2.533 26.963 0.386 29 HH22 ARG 3 HH22 ARG 3 -1.005 27.013 1.197 30 H ILE 4 H ILE 4 -0.789 19.302 5.550 31 HA ILE 4 HA ILE 4 0.888 20.531 7.632 32 HB ILE 4 HB ILE 4 -1.019 18.229 8.056 33 HG12 ILE 4 HG12 ILE 4 -1.077 21.056 9.135 34 HG13 ILE 4 HG13 ILE 4 -2.152 20.413 7.897 35 HG21 ILE 4 HG21 ILE 4 1.352 18.956 9.425 36 HG22 ILE 4 HG22 ILE 4 -0.016 19.325 10.475 37 HG23 ILE 4 HG23 ILE 4 0.191 17.694 9.835 38 HD11 ILE 4 HD11 ILE 4 -2.355 18.666 10.073 39 HD12 ILE 4 HD12 ILE 4 -2.386 20.297 10.744 40 HD13 ILE 4 HD13 ILE 4 -3.550 19.831 9.503 41 H GLY 5 H GLY 5 2.906 19.898 7.240 42 HA2 GLY 5 HA2 GLY 5 4.642 18.320 7.270 43 HA3 GLY 5 HA3 GLY 5 3.461 17.049 6.989 44 H VAL 6 H VAL 6 5.529 16.636 5.545 45 HA VAL 6 HA VAL 6 5.490 18.073 3.035 46 HB VAL 6 HB VAL 6 7.040 15.588 3.780 47 HG11 VAL 6 HG11 VAL 6 8.276 17.257 1.806 48 HG12 VAL 6 HG12 VAL 6 7.796 15.563 1.692 49 HG13 VAL 6 HG13 VAL 6 6.641 16.837 1.292 50 HG21 VAL 6 HG21 VAL 6 7.493 18.466 4.294 51 HG22 VAL 6 HG22 VAL 6 8.003 17.054 5.219 52 HG23 VAL 6 HG23 VAL 6 8.887 17.523 3.767 53 H ARG 7 H ARG 7 4.222 17.593 1.375 54 HA ARG 7 HA ARG 7 3.524 14.834 0.799 55 HB2 ARG 7 HB2 ARG 7 1.767 15.859 2.374 56 HB3 ARG 7 HB3 ARG 7 1.299 16.851 1.001 57 HG2 ARG 7 HG2 ARG 7 0.257 15.157 -0.032 58 HG3 ARG 7 HG3 ARG 7 1.488 13.980 0.433 59 HD2 ARG 7 HD2 ARG 7 0.546 13.875 2.682 60 HD3 ARG 7 HD3 ARG 7 -0.670 15.072 2.237 61 HE ARG 7 HE ARG 7 -1.869 13.416 1.217 62 HH11 ARG 7 HH11 ARG 7 1.055 10.681 1.221 63 HH12 ARG 7 HH12 ARG 7 1.392 12.305 1.723 64 HH21 ARG 7 HH21 ARG 7 -1.060 10.100 0.557 65 HH22 ARG 7 HH22 ARG 7 -2.325 11.282 0.555 66 H LEU 8 H LEU 8 4.332 14.772 -1.210 67 HA LEU 8 HA LEU 8 3.751 16.986 -3.045 68 HB2 LEU 8 HB2 LEU 8 5.906 14.990 -2.799 69 HB3 LEU 8 HB3 LEU 8 5.408 15.380 -4.443 70 HG LEU 8 HG LEU 8 5.728 17.863 -3.324 71 HD11 LEU 8 HD11 LEU 8 6.693 16.736 -1.305 72 HD12 LEU 8 HD12 LEU 8 7.759 17.902 -2.088 73 HD13 LEU 8 HD13 LEU 8 8.014 16.175 -2.329 74 HD21 LEU 8 HD21 LEU 8 7.153 16.121 -5.187 75 HD22 LEU 8 HD22 LEU 8 8.169 17.363 -4.455 76 HD23 LEU 8 HD23 LEU 8 6.708 17.821 -5.334 77 HA PRO 9 HA PRO 9 0.918 14.697 -5.492 78 HB2 PRO 9 HB2 PRO 9 1.599 15.427 -8.017 79 HB3 PRO 9 HB3 PRO 9 0.793 16.520 -6.887 80 HG2 PRO 9 HG2 PRO 9 3.694 16.336 -7.601 81 HG3 PRO 9 HG3 PRO 9 2.683 17.778 -7.389 82 HD2 PRO 9 HD2 PRO 9 4.379 16.893 -5.472 83 HD3 PRO 9 HD3 PRO 9 2.851 17.710 -5.091 84 H GLY 10 H GLY 10 4.211 14.562 -6.866 85 HA2 GLY 10 HA2 GLY 10 4.850 11.983 -6.649 86 HA3 GLY 10 HA3 GLY 10 3.679 11.915 -7.958 87 H HIS 11 H HIS 11 6.905 12.650 -7.061 88 HA HIS 11 HA HIS 11 7.500 13.389 -9.850 89 HB2 HIS 11 HB2 HIS 11 8.707 14.435 -7.294 90 HB3 HIS 11 HB3 HIS 11 9.510 14.608 -8.851 91 HD1 HIS 11 HD1 HIS 11 6.365 15.677 -7.052 92 HD2 HIS 11 HD2 HIS 11 8.606 16.682 -10.404 93 HE1 HIS 11 HE1 HIS 11 5.364 17.816 -7.914 94 H GLN 12 H GLN 12 7.411 10.746 -9.097 95 HA GLN 12 HA GLN 12 9.740 9.598 -8.121 96 HB2 GLN 12 HB2 GLN 12 7.844 8.541 -10.223 97 HB3 GLN 12 HB3 GLN 12 9.066 7.577 -9.406 98 HG2 GLN 12 HG2 GLN 12 7.976 7.888 -7.290 99 HG3 GLN 12 HG3 GLN 12 6.821 9.009 -8.007 100 HE21 GLN 12 HE21 GLN 12 5.228 8.201 -9.417 101 HE22 GLN 12 HE22 GLN 12 4.772 6.534 -9.392 102 H LYS 13 H LYS 13 8.995 10.802 -11.331 103 HA LYS 13 HA LYS 13 11.248 9.696 -12.646 104 HB2 LYS 13 HB2 LYS 13 9.017 11.305 -13.339 105 HB3 LYS 13 HB3 LYS 13 10.459 12.164 -13.863 106 HG2 LYS 13 HG2 LYS 13 10.922 9.566 -14.672 107 HG3 LYS 13 HG3 LYS 13 9.198 9.800 -14.967 108 HD2 LYS 13 HD2 LYS 13 11.248 11.812 -15.850 109 HD3 LYS 13 HD3 LYS 13 10.818 10.421 -16.849 110 HE2 LYS 13 HE2 LYS 13 8.463 11.138 -16.788 111 HE3 LYS 13 HE3 LYS 13 8.930 12.548 -15.839 112 HZ1 LYS 13 HZ1 LYS 13 9.615 11.932 -18.652 113 HZ2 LYS 13 HZ2 LYS 13 10.451 13.100 -17.760 114 HZ3 LYS 13 HZ3 LYS 13 8.794 13.281 -18.045 115 H ARG 14 H ARG 14 10.680 12.730 -10.947 116 HA ARG 14 HA ARG 14 13.225 13.852 -11.656 117 HB2 ARG 14 HB2 ARG 14 11.045 15.086 -10.989 118 HB3 ARG 14 HB3 ARG 14 11.549 14.763 -9.335 119 HG2 ARG 14 HG2 ARG 14 13.625 15.974 -9.713 120 HG3 ARG 14 HG3 ARG 14 13.153 16.274 -11.386 121 HD2 ARG 14 HD2 ARG 14 11.150 17.078 -9.408 122 HD3 ARG 14 HD3 ARG 14 12.676 17.952 -9.285 123 HE ARG 14 HE ARG 14 10.709 18.213 -11.337 124 HH11 ARG 14 HH11 ARG 14 14.435 19.542 -11.952 125 HH12 ARG 14 HH12 ARG 14 14.119 18.427 -10.665 126 HH21 ARG 14 HH21 ARG 14 12.725 20.254 -13.301 127 HH22 ARG 14 HH22 ARG 14 11.114 19.680 -13.036 128 HN MK8 15 HNA MK8 15 12.284 11.421 -9.419 129 HB MK8 15 HB MK8 15 12.312 9.854 -7.355 130 HBA MK8 15 HBA MK8 15 13.306 9.156 -8.612 131 HD MK8 15 HD MK8 15 14.658 7.200 -7.847 132 HDA MK8 15 HDA MK8 15 15.804 8.507 -8.006 133 HE MK8 15 HE MK8 15 15.532 6.724 -5.507 134 HG MK8 15 HG MK8 15 14.648 9.577 -5.931 135 HGA MK8 15 HGA MK8 15 13.445 8.322 -6.085 136 HB1 MK8 15 HB1 MK8 15 12.878 11.867 -6.214 137 HB1A MK8 15 HB1A MK8 15 14.628 11.738 -6.018 138 HB1B MK8 15 HB1B MK8 15 13.922 13.082 -6.899 139 H ALA 16 H ALA 16 14.512 9.982 -10.093 140 HA ALA 16 HA ALA 16 17.152 9.338 -9.972 141 HB1 ALA 16 HB1 ALA 16 16.232 10.277 -12.621 142 HB2 ALA 16 HB2 ALA 16 16.988 8.753 -12.155 143 HB3 ALA 16 HB3 ALA 16 15.274 9.019 -11.844 144 H TYR 17 H TYR 17 15.857 12.326 -11.424 145 HA TYR 17 HA TYR 17 18.367 13.468 -12.002 146 HB2 TYR 17 HB2 TYR 17 16.070 14.143 -12.907 147 HB3 TYR 17 HB3 TYR 17 15.868 15.048 -11.411 148 HD1 TYR 17 HD1 TYR 17 16.864 15.297 -14.735 149 HD2 TYR 17 HD2 TYR 17 17.971 16.617 -10.845 150 HE1 TYR 17 HE1 TYR 17 18.070 17.197 -15.728 151 HE2 TYR 17 HE2 TYR 17 19.180 18.520 -11.828 152 HH TYR 17 HH TYR 17 20.106 19.282 -13.820 153 H SER 18 H SER 18 16.213 13.772 -9.210 154 HA SER 18 HA SER 18 17.637 15.763 -7.845 155 HB2 SER 18 HB2 SER 18 15.289 14.710 -7.371 156 HB3 SER 18 HB3 SER 18 16.199 13.582 -6.367 157 HG SER 18 HG SER 18 16.209 15.084 -4.913 158 HN MK8 19 HNA MK8 19 18.086 12.217 -7.948 159 HB MK8 19 HB MK8 19 19.467 10.270 -8.376 160 HBA MK8 19 HBA MK8 19 20.668 9.818 -7.203 161 HD MK8 19 HD MK8 19 17.951 8.251 -8.068 162 HDA MK8 19 HDA MK8 19 19.278 7.610 -7.130 163 HE MK8 19 HE MK8 19 17.881 6.884 -5.326 164 HG MK8 19 HG MK8 19 18.998 9.446 -5.465 165 HGA MK8 19 HGA MK8 19 17.718 10.147 -6.441 166 HB1 MK8 19 HB1 MK8 19 19.159 11.630 -4.859 167 HB1A MK8 19 HB1A MK8 19 20.864 11.177 -5.050 168 HB1B MK8 19 HB1B MK8 19 20.372 12.858 -5.031 169 H LEU 20 H LEU 20 20.132 12.581 -9.280 170 HA LEU 20 HA LEU 20 22.825 12.740 -9.843 171 HB2 LEU 20 HB2 LEU 20 20.594 13.084 -11.279 172 HB3 LEU 20 HB3 LEU 20 21.084 14.769 -11.112 173 HG LEU 20 HG LEU 20 21.917 13.962 -13.193 174 HD11 LEU 20 HD11 LEU 20 24.342 13.808 -11.455 175 HD12 LEU 20 HD12 LEU 20 23.421 15.306 -11.564 176 HD13 LEU 20 HD13 LEU 20 24.130 14.600 -13.016 177 HD21 LEU 20 HD21 LEU 20 21.934 11.504 -12.093 178 HD22 LEU 20 HD22 LEU 20 23.658 11.876 -12.051 179 HD23 LEU 20 HD23 LEU 20 22.782 11.918 -13.583 180 H GLY 21 H GLY 21 20.681 15.406 -8.842 181 HA2 GLY 21 HA2 GLY 21 22.640 17.412 -8.789 182 HA3 GLY 21 HA3 GLY 21 21.142 17.432 -7.869 183 H LEU 22 H LEU 22 22.220 14.740 -6.717 184 HA LEU 22 HA LEU 22 23.623 16.027 -4.499 185 HB2 LEU 22 HB2 LEU 22 21.576 14.392 -4.363 186 HB3 LEU 22 HB3 LEU 22 22.821 13.153 -4.502 187 HG LEU 22 HG LEU 22 22.185 13.548 -2.175 188 HD11 LEU 22 HD11 LEU 22 24.644 13.141 -3.086 189 HD12 LEU 22 HD12 LEU 22 24.301 13.354 -1.370 190 HD13 LEU 22 HD13 LEU 22 24.910 14.707 -2.320 191 HD21 LEU 22 HD21 LEU 22 22.141 16.235 -2.950 192 HD22 LEU 22 HD22 LEU 22 23.479 16.092 -1.808 193 HD23 LEU 22 HD23 LEU 22 21.858 15.579 -1.337 194 H LYS 23 H LYS 23 23.994 13.355 -6.790 195 HA LYS 23 HA LYS 23 26.539 12.530 -5.809 196 HB2 LYS 23 HB2 LYS 23 24.810 11.878 -8.126 197 HB3 LYS 23 HB3 LYS 23 26.529 11.570 -8.328 198 HG2 LYS 23 HG2 LYS 23 26.436 10.260 -6.183 199 HG3 LYS 23 HG3 LYS 23 24.679 10.409 -6.264 200 HD2 LYS 23 HD2 LYS 23 24.845 8.457 -7.390 201 HD3 LYS 23 HD3 LYS 23 25.190 9.522 -8.756 202 HE2 LYS 23 HE2 LYS 23 26.969 8.113 -8.936 203 HE3 LYS 23 HE3 LYS 23 27.661 9.295 -7.827 204 HZ1 LYS 23 HZ1 LYS 23 28.070 7.560 -6.517 205 HZ2 LYS 23 HZ2 LYS 23 27.055 6.530 -7.393 206 HZ3 LYS 23 HZ3 LYS 23 26.411 7.525 -6.185 207 H ASP 24 H ASP 24 25.579 15.237 -7.510 208 HA ASP 24 HA ASP 24 28.019 15.510 -9.066 209 HB2 ASP 24 HB2 ASP 24 25.384 16.639 -9.157 210 HB3 ASP 24 HB3 ASP 24 26.565 17.942 -9.051 211 H GLN 25 H GLN 25 27.021 16.131 -5.925 212 HA GLN 25 HA GLN 25 29.092 18.199 -5.586 213 HB2 GLN 25 HB2 GLN 25 26.621 18.745 -5.051 214 HB3 GLN 25 HB3 GLN 25 26.858 17.734 -3.631 215 HG2 GLN 25 HG2 GLN 25 28.891 19.241 -3.167 216 HG3 GLN 25 HG3 GLN 25 28.140 20.346 -4.318 217 HE21 GLN 25 HE21 GLN 25 27.519 21.948 -2.990 218 HE22 GLN 25 HE22 GLN 25 26.409 21.761 -1.681 219 H VAL 26 H VAL 26 27.921 15.095 -4.613 220 HA VAL 26 HA VAL 26 29.110 14.687 -2.165 221 HB VAL 26 HB VAL 26 29.278 12.294 -2.772 222 HG11 VAL 26 HG11 VAL 26 27.151 12.364 -2.121 223 HG12 VAL 26 HG12 VAL 26 26.909 13.942 -2.870 224 HG13 VAL 26 HG13 VAL 26 26.708 12.472 -3.824 225 HG21 VAL 26 HG21 VAL 26 28.238 11.769 -5.095 226 HG22 VAL 26 HG22 VAL 26 28.781 13.395 -5.508 227 HG23 VAL 26 HG23 VAL 26 29.948 12.181 -4.984 228 HN1 NH2 27 HN1 NH2 27 30.596 14.790 -5.351 229 HN2 NH2 27 HN2 NH2 27 32.232 14.588 -4.823 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 10.459 32.413 -10.761 2 H2 ACE 1 H2 ACE 1 12.102 31.812 -10.435 3 H3 ACE 1 H3 ACE 1 10.817 30.676 -10.914 4 H LYS 2 H LYS 2 8.796 31.908 -9.333 5 HA LYS 2 HA LYS 2 9.671 31.002 -6.672 6 HB2 LYS 2 HB2 LYS 2 9.343 33.544 -6.964 7 HB3 LYS 2 HB3 LYS 2 7.625 33.176 -7.047 8 HG2 LYS 2 HG2 LYS 2 7.542 32.459 -4.841 9 HG3 LYS 2 HG3 LYS 2 9.286 32.200 -4.758 10 HD2 LYS 2 HD2 LYS 2 8.926 34.161 -3.526 11 HD3 LYS 2 HD3 LYS 2 9.492 34.730 -5.098 12 HE2 LYS 2 HE2 LYS 2 7.687 36.112 -4.749 13 HE3 LYS 2 HE3 LYS 2 6.940 34.801 -5.659 14 HZ1 LYS 2 HZ1 LYS 2 6.856 35.210 -2.721 15 HZ2 LYS 2 HZ2 LYS 2 6.289 33.816 -3.493 16 HZ3 LYS 2 HZ3 LYS 2 5.560 35.310 -3.805 17 H ARG 3 H ARG 3 6.651 31.933 -8.332 18 HA ARG 3 HA ARG 3 5.443 29.451 -7.302 19 HB2 ARG 3 HB2 ARG 3 4.244 32.152 -7.895 20 HB3 ARG 3 HB3 ARG 3 3.254 30.711 -7.707 21 HG2 ARG 3 HG2 ARG 3 4.849 30.640 -5.476 22 HG3 ARG 3 HG3 ARG 3 4.547 32.366 -5.697 23 HD2 ARG 3 HD2 ARG 3 2.068 31.424 -6.099 24 HD3 ARG 3 HD3 ARG 3 2.681 30.177 -5.013 25 HE ARG 3 HE ARG 3 3.360 32.456 -3.745 26 HH11 ARG 3 HH11 ARG 3 -0.625 32.163 -3.982 27 HH12 ARG 3 HH12 ARG 3 0.372 31.308 -5.112 28 HH21 ARG 3 HH21 ARG 3 0.336 33.459 -2.357 29 HH22 ARG 3 HH22 ARG 3 2.059 33.586 -2.251 30 H ILE 4 H ILE 4 6.964 29.327 -9.615 31 HA ILE 4 HA ILE 4 4.883 28.746 -11.606 32 HB ILE 4 HB ILE 4 7.568 29.918 -12.333 33 HG12 ILE 4 HG12 ILE 4 5.723 31.787 -13.076 34 HG13 ILE 4 HG13 ILE 4 5.023 31.199 -11.572 35 HG21 ILE 4 HG21 ILE 4 6.030 30.341 -14.468 36 HG22 ILE 4 HG22 ILE 4 6.951 28.857 -14.239 37 HG23 ILE 4 HG23 ILE 4 5.233 28.898 -13.840 38 HD11 ILE 4 HD11 ILE 4 7.365 32.871 -12.028 39 HD12 ILE 4 HD12 ILE 4 6.336 32.715 -10.604 40 HD13 ILE 4 HD13 ILE 4 7.636 31.558 -10.883 41 H GLY 5 H GLY 5 4.928 26.556 -11.360 42 HA2 GLY 5 HA2 GLY 5 6.164 24.749 -12.661 43 HA3 GLY 5 HA3 GLY 5 7.540 25.220 -11.676 44 H VAL 6 H VAL 6 6.977 22.667 -11.525 45 HA VAL 6 HA VAL 6 6.538 20.960 -10.082 46 HB VAL 6 HB VAL 6 5.999 23.092 -8.014 47 HG11 VAL 6 HG11 VAL 6 5.299 20.885 -7.323 48 HG12 VAL 6 HG12 VAL 6 6.859 20.209 -7.793 49 HG13 VAL 6 HG13 VAL 6 6.757 21.342 -6.444 50 HG21 VAL 6 HG21 VAL 6 8.124 23.713 -8.253 51 HG22 VAL 6 HG22 VAL 6 8.579 22.120 -7.648 52 HG23 VAL 6 HG23 VAL 6 8.448 22.400 -9.383 53 H ARG 7 H ARG 7 4.651 20.406 -11.272 54 HA ARG 7 HA ARG 7 2.300 20.261 -9.705 55 HB2 ARG 7 HB2 ARG 7 2.455 22.680 -10.906 56 HB3 ARG 7 HB3 ARG 7 1.652 21.759 -12.171 57 HG2 ARG 7 HG2 ARG 7 -0.119 21.143 -10.635 58 HG3 ARG 7 HG3 ARG 7 0.700 21.993 -9.324 59 HD2 ARG 7 HD2 ARG 7 0.544 24.071 -10.775 60 HD3 ARG 7 HD3 ARG 7 -0.562 23.152 -11.794 61 HE ARG 7 HE ARG 7 -1.649 22.877 -9.346 62 HH11 ARG 7 HH11 ARG 7 -1.708 26.729 -10.434 63 HH12 ARG 7 HH12 ARG 7 -0.560 25.648 -11.150 64 HH21 ARG 7 HH21 ARG 7 -3.187 25.957 -8.864 65 HH22 ARG 7 HH22 ARG 7 -3.164 24.292 -8.394 66 H LEU 8 H LEU 8 4.060 18.535 -11.190 67 HA LEU 8 HA LEU 8 2.220 17.491 -13.240 68 HB2 LEU 8 HB2 LEU 8 5.184 17.027 -12.940 69 HB3 LEU 8 HB3 LEU 8 4.159 16.354 -14.206 70 HG LEU 8 HG LEU 8 3.682 18.864 -14.754 71 HD11 LEU 8 HD11 LEU 8 6.215 19.826 -14.270 72 HD12 LEU 8 HD12 LEU 8 5.789 19.024 -12.759 73 HD13 LEU 8 HD13 LEU 8 4.745 20.287 -13.411 74 HD21 LEU 8 HD21 LEU 8 5.822 18.866 -16.150 75 HD22 LEU 8 HD22 LEU 8 4.698 17.527 -16.385 76 HD23 LEU 8 HD23 LEU 8 6.155 17.297 -15.418 77 HA PRO 9 HA PRO 9 1.520 13.870 -10.859 78 HB2 PRO 9 HB2 PRO 9 1.194 12.020 -12.819 79 HB3 PRO 9 HB3 PRO 9 -0.011 13.262 -12.461 80 HG2 PRO 9 HG2 PRO 9 2.068 13.204 -14.613 81 HG3 PRO 9 HG3 PRO 9 0.370 13.704 -14.712 82 HD2 PRO 9 HD2 PRO 9 2.402 15.483 -14.522 83 HD3 PRO 9 HD3 PRO 9 0.799 15.786 -13.821 84 H GLY 10 H GLY 10 4.144 13.973 -13.138 85 HA2 GLY 10 HA2 GLY 10 5.293 11.454 -12.337 86 HA3 GLY 10 HA3 GLY 10 6.035 12.656 -13.381 87 H HIS 11 H HIS 11 6.146 11.199 -10.380 88 HA HIS 11 HA HIS 11 7.717 13.419 -9.246 89 HB2 HIS 11 HB2 HIS 11 6.232 11.190 -7.840 90 HB3 HIS 11 HB3 HIS 11 7.268 12.362 -7.031 91 HD1 HIS 11 HD1 HIS 11 4.589 12.964 -9.661 92 HD2 HIS 11 HD2 HIS 11 5.509 13.964 -5.735 93 HE1 HIS 11 HE1 HIS 11 2.823 14.609 -8.954 94 H GLN 12 H GLN 12 7.698 10.064 -10.141 95 HA GLN 12 HA GLN 12 10.114 9.357 -8.790 96 HB2 GLN 12 HB2 GLN 12 9.984 7.280 -9.991 97 HB3 GLN 12 HB3 GLN 12 8.361 7.718 -9.470 98 HG2 GLN 12 HG2 GLN 12 7.848 8.532 -11.703 99 HG3 GLN 12 HG3 GLN 12 9.483 8.136 -12.233 100 HE21 GLN 12 HE21 GLN 12 10.103 5.920 -12.307 101 HE22 GLN 12 HE22 GLN 12 8.913 4.684 -12.504 102 H LYS 13 H LYS 13 9.323 10.780 -11.855 103 HA LYS 13 HA LYS 13 11.726 10.227 -13.228 104 HB2 LYS 13 HB2 LYS 13 9.615 12.348 -13.520 105 HB3 LYS 13 HB3 LYS 13 11.053 12.355 -14.531 106 HG2 LYS 13 HG2 LYS 13 9.323 9.919 -14.319 107 HG3 LYS 13 HG3 LYS 13 8.928 11.237 -15.428 108 HD2 LYS 13 HD2 LYS 13 10.556 10.662 -16.859 109 HD3 LYS 13 HD3 LYS 13 11.723 10.393 -15.563 110 HE2 LYS 13 HE2 LYS 13 9.557 8.404 -15.791 111 HE3 LYS 13 HE3 LYS 13 10.721 8.431 -17.114 112 HZ1 LYS 13 HZ1 LYS 13 11.163 7.824 -14.269 113 HZ2 LYS 13 HZ2 LYS 13 12.440 8.420 -15.206 114 HZ3 LYS 13 HZ3 LYS 13 11.679 6.972 -15.638 115 H ARG 14 H ARG 14 10.882 12.567 -10.805 116 HA ARG 14 HA ARG 14 13.301 14.122 -11.258 117 HB2 ARG 14 HB2 ARG 14 10.900 14.964 -10.520 118 HB3 ARG 14 HB3 ARG 14 11.512 14.585 -8.916 119 HG2 ARG 14 HG2 ARG 14 13.414 16.081 -9.291 120 HG3 ARG 14 HG3 ARG 14 12.780 16.473 -10.890 121 HD2 ARG 14 HD2 ARG 14 10.615 16.955 -9.317 122 HD3 ARG 14 HD3 ARG 14 11.935 17.404 -8.239 123 HE ARG 14 HE ARG 14 11.073 18.798 -10.597 124 HH11 ARG 14 HH11 ARG 14 14.564 19.672 -8.843 125 HH12 ARG 14 HH12 ARG 14 13.753 18.192 -8.457 126 HH21 ARG 14 HH21 ARG 14 13.642 21.127 -10.353 127 HH22 ARG 14 HH22 ARG 14 12.134 20.750 -11.113 128 HN MK8 15 HNA MK8 15 12.270 11.406 -9.284 129 HB MK8 15 HB MK8 15 12.418 9.734 -6.855 130 HBA MK8 15 HBA MK8 15 12.807 9.253 -8.463 131 HD MK8 15 HD MK8 15 15.754 9.759 -6.070 132 HDA MK8 15 HDA MK8 15 14.534 9.136 -4.986 133 HE MK8 15 HE MK8 15 15.699 7.054 -4.754 134 HG MK8 15 HG MK8 15 13.624 7.667 -6.767 135 HGA MK8 15 HGA MK8 15 14.853 8.192 -7.877 136 HB1 MK8 15 HB1 MK8 15 13.849 12.939 -6.654 137 HB1A MK8 15 HB1A MK8 15 12.853 11.694 -5.996 138 HB1B MK8 15 HB1B MK8 15 14.602 11.585 -5.834 139 H ALA 16 H ALA 16 14.485 9.741 -9.871 140 HA ALA 16 HA ALA 16 17.144 9.180 -9.696 141 HB1 ALA 16 HB1 ALA 16 15.169 9.118 -11.747 142 HB2 ALA 16 HB2 ALA 16 16.675 9.734 -12.428 143 HB3 ALA 16 HB3 ALA 16 16.651 8.172 -11.608 144 H TYR 17 H TYR 17 15.699 12.128 -11.026 145 HA TYR 17 HA TYR 17 18.127 13.296 -11.887 146 HB2 TYR 17 HB2 TYR 17 15.732 13.938 -12.542 147 HB3 TYR 17 HB3 TYR 17 15.689 14.851 -11.037 148 HD1 TYR 17 HD1 TYR 17 16.344 15.066 -14.458 149 HD2 TYR 17 HD2 TYR 17 17.798 16.458 -10.709 150 HE1 TYR 17 HE1 TYR 17 17.418 16.968 -15.588 151 HE2 TYR 17 HE2 TYR 17 18.876 18.366 -11.829 152 HH TYR 17 HH TYR 17 18.507 18.898 -15.314 153 H SER 18 H SER 18 16.207 13.688 -8.926 154 HA SER 18 HA SER 18 17.749 15.652 -7.696 155 HB2 SER 18 HB2 SER 18 15.589 13.949 -6.966 156 HB3 SER 18 HB3 SER 18 16.808 13.838 -5.696 157 HG SER 18 HG SER 18 15.974 15.655 -5.052 158 HN MK8 19 HNA MK8 19 18.199 12.126 -7.821 159 HB MK8 19 HB MK8 19 19.466 10.218 -8.375 160 HBA MK8 19 HBA MK8 19 20.776 9.721 -7.344 161 HD MK8 19 HD MK8 19 17.345 8.767 -7.712 162 HDA MK8 19 HDA MK8 19 18.763 7.753 -7.530 163 HE MK8 19 HE MK8 19 17.896 6.717 -5.568 164 HG MK8 19 HG MK8 19 19.364 9.255 -5.496 165 HGA MK8 19 HGA MK8 19 18.077 10.315 -6.047 166 HB1 MK8 19 HB1 MK8 19 20.799 12.775 -5.170 167 HB1A MK8 19 HB1A MK8 19 19.593 11.573 -4.854 168 HB1B MK8 19 HB1B MK8 19 21.257 11.089 -5.237 169 H LEU 20 H LEU 20 20.205 12.506 -9.395 170 HA LEU 20 HA LEU 20 22.843 12.772 -10.148 171 HB2 LEU 20 HB2 LEU 20 20.518 12.999 -11.435 172 HB3 LEU 20 HB3 LEU 20 20.910 14.712 -11.287 173 HG LEU 20 HG LEU 20 21.625 13.882 -13.439 174 HD11 LEU 20 HD11 LEU 20 23.003 15.564 -12.192 175 HD12 LEU 20 HD12 LEU 20 23.872 14.648 -13.424 176 HD13 LEU 20 HD13 LEU 20 24.069 14.240 -11.721 177 HD21 LEU 20 HD21 LEU 20 22.806 11.979 -13.807 178 HD22 LEU 20 HD22 LEU 20 22.011 11.502 -12.307 179 HD23 LEU 20 HD23 LEU 20 23.675 12.087 -12.277 180 H GLY 21 H GLY 21 20.666 15.373 -9.040 181 HA2 GLY 21 HA2 GLY 21 22.723 17.352 -9.034 182 HA3 GLY 21 HA3 GLY 21 21.132 17.506 -8.305 183 H LEU 22 H LEU 22 22.217 14.762 -7.007 184 HA LEU 22 HA LEU 22 23.657 16.112 -4.821 185 HB2 LEU 22 HB2 LEU 22 21.108 14.999 -4.691 186 HB3 LEU 22 HB3 LEU 22 22.160 13.793 -3.954 187 HG LEU 22 HG LEU 22 21.176 15.295 -2.292 188 HD11 LEU 22 HD11 LEU 22 23.498 14.296 -2.079 189 HD12 LEU 22 HD12 LEU 22 23.136 15.683 -1.052 190 HD13 LEU 22 HD13 LEU 22 24.111 15.895 -2.506 191 HD21 LEU 22 HD21 LEU 22 21.052 17.500 -2.553 192 HD22 LEU 22 HD22 LEU 22 21.655 17.269 -4.194 193 HD23 LEU 22 HD23 LEU 22 22.780 17.623 -2.881 194 H LYS 23 H LYS 23 24.646 14.583 -7.128 195 HA LYS 23 HA LYS 23 26.160 12.573 -5.620 196 HB2 LYS 23 HB2 LYS 23 24.542 12.156 -8.087 197 HB3 LYS 23 HB3 LYS 23 26.072 11.301 -7.957 198 HG2 LYS 23 HG2 LYS 23 25.093 10.687 -5.570 199 HG3 LYS 23 HG3 LYS 23 23.567 10.958 -6.417 200 HD2 LYS 23 HD2 LYS 23 23.906 9.200 -7.868 201 HD3 LYS 23 HD3 LYS 23 25.662 9.257 -7.693 202 HE2 LYS 23 HE2 LYS 23 25.628 8.102 -5.685 203 HE3 LYS 23 HE3 LYS 23 23.949 8.526 -5.355 204 HZ1 LYS 23 HZ1 LYS 23 23.591 6.430 -6.039 205 HZ2 LYS 23 HZ2 LYS 23 25.033 6.335 -6.916 206 HZ3 LYS 23 HZ3 LYS 23 23.681 7.101 -7.590 207 H ASP 24 H ASP 24 25.910 14.452 -8.618 208 HA ASP 24 HA ASP 24 28.673 14.129 -9.288 209 HB2 ASP 24 HB2 ASP 24 26.610 14.716 -10.810 210 HB3 ASP 24 HB3 ASP 24 27.012 16.373 -10.366 211 H GLN 25 H GLN 25 26.796 16.461 -7.492 212 HA GLN 25 HA GLN 25 28.845 18.459 -7.405 213 HB2 GLN 25 HB2 GLN 25 26.290 18.057 -5.859 214 HB3 GLN 25 HB3 GLN 25 27.383 19.397 -5.539 215 HG2 GLN 25 HG2 GLN 25 26.283 18.884 -8.279 216 HG3 GLN 25 HG3 GLN 25 25.390 19.814 -7.075 217 HE21 GLN 25 HE21 GLN 25 25.539 21.583 -8.557 218 HE22 GLN 25 HE22 GLN 25 26.981 22.531 -8.638 219 H VAL 26 H VAL 26 27.624 16.040 -5.107 220 HA VAL 26 HA VAL 26 29.338 16.671 -2.980 221 HB VAL 26 HB VAL 26 28.210 13.951 -3.656 222 HG11 VAL 26 HG11 VAL 26 28.271 13.904 -1.034 223 HG12 VAL 26 HG12 VAL 26 29.712 13.510 -1.973 224 HG13 VAL 26 HG13 VAL 26 29.538 15.111 -1.253 225 HG21 VAL 26 HG21 VAL 26 27.028 16.186 -2.009 226 HG22 VAL 26 HG22 VAL 26 26.447 15.630 -3.580 227 HG23 VAL 26 HG23 VAL 26 26.351 14.566 -2.177 228 HN1 NH2 27 HN1 NH2 27 29.800 14.706 -5.860 229 HN2 NH2 27 HN2 NH2 27 31.457 14.294 -5.567 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 17.671 28.601 11.591 2 H2 ACE 1 H2 ACE 1 17.598 30.231 10.880 3 H3 ACE 1 H3 ACE 1 16.147 29.200 10.894 4 H LYS 2 H LYS 2 15.817 29.136 8.756 5 HA LYS 2 HA LYS 2 17.458 27.302 7.261 6 HB2 LYS 2 HB2 LYS 2 14.765 28.153 7.191 7 HB3 LYS 2 HB3 LYS 2 15.469 28.598 5.642 8 HG2 LYS 2 HG2 LYS 2 15.818 26.430 5.018 9 HG3 LYS 2 HG3 LYS 2 15.966 25.859 6.681 10 HD2 LYS 2 HD2 LYS 2 13.338 26.924 6.238 11 HD3 LYS 2 HD3 LYS 2 13.715 25.719 5.005 12 HE2 LYS 2 HE2 LYS 2 13.827 24.014 6.511 13 HE3 LYS 2 HE3 LYS 2 14.403 25.057 7.812 14 HZ1 LYS 2 HZ1 LYS 2 11.648 25.346 6.815 15 HZ2 LYS 2 HZ2 LYS 2 12.278 25.717 8.340 16 HZ3 LYS 2 HZ3 LYS 2 12.018 24.103 7.900 17 H ARG 3 H ARG 3 18.667 27.725 5.435 18 HA ARG 3 HA ARG 3 19.410 30.539 5.068 19 HB2 ARG 3 HB2 ARG 3 20.834 27.950 4.502 20 HB3 ARG 3 HB3 ARG 3 21.376 29.469 3.803 21 HG2 ARG 3 HG2 ARG 3 21.388 30.330 6.230 22 HG3 ARG 3 HG3 ARG 3 21.345 28.621 6.670 23 HD2 ARG 3 HD2 ARG 3 23.523 28.426 6.278 24 HD3 ARG 3 HD3 ARG 3 23.311 29.029 4.634 25 HE ARG 3 HE ARG 3 24.117 31.055 5.316 26 HH11 ARG 3 HH11 ARG 3 23.838 30.346 9.246 27 HH12 ARG 3 HH12 ARG 3 23.183 29.210 8.115 28 HH21 ARG 3 HH21 ARG 3 24.860 32.253 8.493 29 HH22 ARG 3 HH22 ARG 3 24.983 32.561 6.794 30 H ILE 4 H ILE 4 17.025 29.953 3.926 31 HA ILE 4 HA ILE 4 15.854 30.044 1.976 32 HB ILE 4 HB ILE 4 18.498 30.981 0.857 33 HG12 ILE 4 HG12 ILE 4 17.619 32.355 2.723 34 HG13 ILE 4 HG13 ILE 4 17.626 33.228 1.193 35 HG21 ILE 4 HG21 ILE 4 17.288 30.440 -1.033 36 HG22 ILE 4 HG22 ILE 4 15.743 30.846 -0.289 37 HG23 ILE 4 HG23 ILE 4 16.844 32.129 -0.788 38 HD11 ILE 4 HD11 ILE 4 15.475 32.807 2.968 39 HD12 ILE 4 HD12 ILE 4 15.475 33.662 1.424 40 HD13 ILE 4 HD13 ILE 4 15.113 31.936 1.478 41 H GLY 5 H GLY 5 15.531 27.782 1.875 42 HA2 GLY 5 HA2 GLY 5 16.170 26.555 -0.527 43 HA3 GLY 5 HA3 GLY 5 17.375 26.012 0.632 44 H VAL 6 H VAL 6 14.377 25.383 -0.677 45 HA VAL 6 HA VAL 6 13.954 23.089 0.909 46 HB VAL 6 HB VAL 6 13.210 24.622 2.625 47 HG11 VAL 6 HG11 VAL 6 12.285 26.155 0.479 48 HG12 VAL 6 HG12 VAL 6 10.842 25.674 1.372 49 HG13 VAL 6 HG13 VAL 6 12.147 26.527 2.197 50 HG21 VAL 6 HG21 VAL 6 11.367 23.436 3.204 51 HG22 VAL 6 HG22 VAL 6 10.590 23.667 1.637 52 HG23 VAL 6 HG23 VAL 6 11.859 22.456 1.821 53 H ARG 7 H ARG 7 12.742 21.679 -0.207 54 HA ARG 7 HA ARG 7 10.752 22.651 -2.108 55 HB2 ARG 7 HB2 ARG 7 13.236 21.135 -2.834 56 HB3 ARG 7 HB3 ARG 7 11.767 20.923 -3.777 57 HG2 ARG 7 HG2 ARG 7 12.301 22.718 -4.948 58 HG3 ARG 7 HG3 ARG 7 12.129 23.694 -3.487 59 HD2 ARG 7 HD2 ARG 7 14.459 23.314 -2.929 60 HD3 ARG 7 HD3 ARG 7 14.644 22.256 -4.328 61 HE ARG 7 HE ARG 7 14.810 24.107 -5.673 62 HH11 ARG 7 HH11 ARG 7 13.803 26.752 -2.840 63 HH12 ARG 7 HH12 ARG 7 13.648 25.055 -2.531 64 HH21 ARG 7 HH21 ARG 7 14.584 27.482 -4.868 65 HH22 ARG 7 HH22 ARG 7 15.019 26.339 -6.094 66 H LEU 8 H LEU 8 9.511 20.787 -3.076 67 HA LEU 8 HA LEU 8 8.526 19.140 -1.006 68 HB2 LEU 8 HB2 LEU 8 8.011 19.511 -3.885 69 HB3 LEU 8 HB3 LEU 8 7.569 17.938 -3.224 70 HG LEU 8 HG LEU 8 6.407 19.564 -1.410 71 HD11 LEU 8 HD11 LEU 8 7.216 21.484 -2.973 72 HD12 LEU 8 HD12 LEU 8 5.592 21.529 -2.288 73 HD13 LEU 8 HD13 LEU 8 5.830 21.010 -3.956 74 HD21 LEU 8 HD21 LEU 8 5.436 17.675 -2.742 75 HD22 LEU 8 HD22 LEU 8 5.119 18.833 -4.034 76 HD23 LEU 8 HD23 LEU 8 4.339 19.027 -2.464 77 HA PRO 9 HA PRO 9 10.972 15.501 -1.172 78 HB2 PRO 9 HB2 PRO 9 9.122 13.535 -0.881 79 HB3 PRO 9 HB3 PRO 9 9.594 14.613 0.438 80 HG2 PRO 9 HG2 PRO 9 7.199 14.747 -1.353 81 HG3 PRO 9 HG3 PRO 9 7.300 14.999 0.399 82 HD2 PRO 9 HD2 PRO 9 7.182 17.052 -1.363 83 HD3 PRO 9 HD3 PRO 9 8.070 17.159 0.171 84 H GLY 10 H GLY 10 11.572 13.679 -2.438 85 HA2 GLY 10 HA2 GLY 10 10.789 13.914 -5.208 86 HA3 GLY 10 HA3 GLY 10 12.024 12.848 -4.557 87 H HIS 11 H HIS 11 9.152 12.872 -6.106 88 HA HIS 11 HA HIS 11 8.078 10.491 -4.793 89 HB2 HIS 11 HB2 HIS 11 6.965 12.255 -6.980 90 HB3 HIS 11 HB3 HIS 11 6.159 10.811 -6.376 91 HD1 HIS 11 HD1 HIS 11 7.428 14.134 -5.035 92 HD2 HIS 11 HD2 HIS 11 4.501 11.284 -4.286 93 HE1 HIS 11 HE1 HIS 11 6.017 15.090 -3.186 94 H GLN 12 H GLN 12 8.403 11.441 -8.213 95 HA GLN 12 HA GLN 12 9.946 9.078 -8.814 96 HB2 GLN 12 HB2 GLN 12 8.360 8.122 -10.393 97 HB3 GLN 12 HB3 GLN 12 7.652 8.190 -8.785 98 HG2 GLN 12 HG2 GLN 12 6.222 9.941 -9.356 99 HG3 GLN 12 HG3 GLN 12 7.154 10.351 -10.795 100 HE21 GLN 12 HE21 GLN 12 4.647 8.434 -9.481 101 HE22 GLN 12 HE22 GLN 12 4.194 7.622 -10.937 102 H LYS 13 H LYS 13 10.585 8.996 -11.107 103 HA LYS 13 HA LYS 13 11.309 9.926 -13.062 104 HB2 LYS 13 HB2 LYS 13 8.873 10.842 -13.034 105 HB3 LYS 13 HB3 LYS 13 9.627 12.364 -12.577 106 HG2 LYS 13 HG2 LYS 13 11.087 12.080 -14.639 107 HG3 LYS 13 HG3 LYS 13 9.962 10.807 -15.119 108 HD2 LYS 13 HD2 LYS 13 8.110 12.432 -14.972 109 HD3 LYS 13 HD3 LYS 13 9.275 13.695 -14.571 110 HE2 LYS 13 HE2 LYS 13 9.913 13.934 -16.705 111 HE3 LYS 13 HE3 LYS 13 9.964 12.194 -16.979 112 HZ1 LYS 13 HZ1 LYS 13 8.071 13.970 -17.911 113 HZ2 LYS 13 HZ2 LYS 13 7.287 13.084 -16.702 114 HZ3 LYS 13 HZ3 LYS 13 8.015 12.282 -18.001 115 H ARG 14 H ARG 14 10.691 12.783 -11.019 116 HA ARG 14 HA ARG 14 13.239 13.918 -11.629 117 HB2 ARG 14 HB2 ARG 14 11.027 15.104 -10.960 118 HB3 ARG 14 HB3 ARG 14 11.534 14.772 -9.308 119 HG2 ARG 14 HG2 ARG 14 13.602 16.015 -9.688 120 HG3 ARG 14 HG3 ARG 14 13.095 16.346 -11.346 121 HD2 ARG 14 HD2 ARG 14 11.401 17.121 -8.992 122 HD3 ARG 14 HD3 ARG 14 12.697 18.162 -9.580 123 HE ARG 14 HE ARG 14 11.155 17.531 -11.782 124 HH11 ARG 14 HH11 ARG 14 9.460 20.184 -9.309 125 HH12 ARG 14 HH12 ARG 14 10.704 19.130 -8.722 126 HH21 ARG 14 HH21 ARG 14 8.785 20.058 -11.494 127 HH22 ARG 14 HH22 ARG 14 9.518 18.913 -12.565 128 HN MK8 15 HNA MK8 15 12.247 11.503 -9.432 129 HB MK8 15 HB MK8 15 12.174 9.913 -7.468 130 HBA MK8 15 HBA MK8 15 13.100 9.236 -8.774 131 HD MK8 15 HD MK8 15 14.584 7.159 -7.978 132 HDA MK8 15 HDA MK8 15 15.674 8.516 -8.072 133 HE MK8 15 HE MK8 15 15.370 6.757 -5.571 134 HG MK8 15 HG MK8 15 14.338 9.432 -5.970 135 HGA MK8 15 HGA MK8 15 13.188 8.184 -6.346 136 HB1 MK8 15 HB1 MK8 15 14.525 11.600 -5.991 137 HB1A MK8 15 HB1A MK8 15 13.940 13.024 -6.838 138 HB1B MK8 15 HB1B MK8 15 12.794 11.832 -6.254 139 H ALA 16 H ALA 16 14.491 9.997 -10.054 140 HA ALA 16 HA ALA 16 17.129 9.343 -9.929 141 HB1 ALA 16 HB1 ALA 16 16.978 8.753 -12.117 142 HB2 ALA 16 HB2 ALA 16 15.261 8.979 -11.785 143 HB3 ALA 16 HB3 ALA 16 16.179 10.256 -12.583 144 H TYR 17 H TYR 17 15.842 12.321 -11.407 145 HA TYR 17 HA TYR 17 18.351 13.446 -12.008 146 HB2 TYR 17 HB2 TYR 17 16.062 14.124 -12.917 147 HB3 TYR 17 HB3 TYR 17 15.856 15.035 -11.425 148 HD1 TYR 17 HD1 TYR 17 16.865 15.269 -14.747 149 HD2 TYR 17 HD2 TYR 17 17.950 16.612 -10.859 150 HE1 TYR 17 HE1 TYR 17 18.071 17.165 -15.746 151 HE2 TYR 17 HE2 TYR 17 19.158 18.513 -11.846 152 HH TYR 17 HH TYR 17 19.992 18.692 -15.059 153 H SER 18 H SER 18 16.240 13.726 -9.191 154 HA SER 18 HA SER 18 17.668 15.746 -7.855 155 HB2 SER 18 HB2 SER 18 15.321 14.721 -7.356 156 HB3 SER 18 HB3 SER 18 16.225 13.573 -6.368 157 HG SER 18 HG SER 18 16.507 16.379 -6.113 158 HN MK8 19 HNA MK8 19 18.080 12.198 -7.927 159 HB MK8 19 HB MK8 19 19.458 10.245 -8.369 160 HBA MK8 19 HBA MK8 19 20.628 9.772 -7.173 161 HD MK8 19 HD MK8 19 17.824 8.312 -8.083 162 HDA MK8 19 HDA MK8 19 19.125 7.600 -7.164 163 HE MK8 19 HE MK8 19 17.706 6.960 -5.326 164 HG MK8 19 HG MK8 19 18.936 9.422 -5.469 165 HGA MK8 19 HGA MK8 19 17.686 10.191 -6.429 166 HB1 MK8 19 HB1 MK8 19 20.869 11.181 -5.037 167 HB1A MK8 19 HB1A MK8 19 20.328 12.855 -5.021 168 HB1B MK8 19 HB1B MK8 19 19.154 11.594 -4.858 169 H LEU 20 H LEU 20 20.133 12.568 -9.272 170 HA LEU 20 HA LEU 20 22.819 12.706 -9.864 171 HB2 LEU 20 HB2 LEU 20 20.584 13.075 -11.279 172 HB3 LEU 20 HB3 LEU 20 21.070 14.758 -11.095 173 HG LEU 20 HG LEU 20 21.886 13.977 -13.194 174 HD11 LEU 20 HD11 LEU 20 24.024 14.739 -13.028 175 HD12 LEU 20 HD12 LEU 20 24.378 13.773 -11.596 176 HD13 LEU 20 HD13 LEU 20 23.420 15.245 -11.450 177 HD21 LEU 20 HD21 LEU 20 22.886 11.968 -13.602 178 HD22 LEU 20 HD22 LEU 20 21.870 11.511 -12.235 179 HD23 LEU 20 HD23 LEU 20 23.581 11.857 -11.985 180 H GLY 21 H GLY 21 20.715 15.407 -8.857 181 HA2 GLY 21 HA2 GLY 21 22.739 17.358 -8.779 182 HA3 GLY 21 HA3 GLY 21 21.213 17.437 -7.913 183 H LEU 22 H LEU 22 22.206 14.707 -6.729 184 HA LEU 22 HA LEU 22 23.571 15.975 -4.470 185 HB2 LEU 22 HB2 LEU 22 21.487 14.596 -4.161 186 HB3 LEU 22 HB3 LEU 22 22.440 13.188 -4.625 187 HG LEU 22 HG LEU 22 23.963 14.110 -2.617 188 HD11 LEU 22 HD11 LEU 22 22.769 15.095 -0.886 189 HD12 LEU 22 HD12 LEU 22 21.208 14.670 -1.587 190 HD13 LEU 22 HD13 LEU 22 22.183 15.947 -2.316 191 HD21 LEU 22 HD21 LEU 22 21.520 12.358 -2.389 192 HD22 LEU 22 HD22 LEU 22 22.803 12.460 -1.184 193 HD23 LEU 22 HD23 LEU 22 23.156 11.847 -2.800 194 H LYS 23 H LYS 23 24.067 13.702 -7.034 195 HA LYS 23 HA LYS 23 26.489 12.612 -5.869 196 HB2 LYS 23 HB2 LYS 23 24.724 11.469 -7.483 197 HB3 LYS 23 HB3 LYS 23 25.751 12.171 -8.728 198 HG2 LYS 23 HG2 LYS 23 26.817 10.197 -8.538 199 HG3 LYS 23 HG3 LYS 23 27.632 11.022 -7.208 200 HD2 LYS 23 HD2 LYS 23 25.633 10.104 -5.798 201 HD3 LYS 23 HD3 LYS 23 25.475 8.954 -7.128 202 HE2 LYS 23 HE2 LYS 23 26.931 7.767 -5.865 203 HE3 LYS 23 HE3 LYS 23 28.110 8.769 -6.709 204 HZ1 LYS 23 HZ1 LYS 23 26.941 9.535 -4.098 205 HZ2 LYS 23 HZ2 LYS 23 28.296 10.194 -4.863 206 HZ3 LYS 23 HZ3 LYS 23 28.363 8.628 -4.230 207 H ASP 24 H ASP 24 25.561 14.805 -8.478 208 HA ASP 24 HA ASP 24 28.176 15.209 -9.492 209 HB2 ASP 24 HB2 ASP 24 25.797 15.803 -10.482 210 HB3 ASP 24 HB3 ASP 24 26.100 17.348 -9.695 211 H GLN 25 H GLN 25 26.327 16.701 -6.922 212 HA GLN 25 HA GLN 25 28.108 18.914 -6.561 213 HB2 GLN 25 HB2 GLN 25 25.589 18.571 -5.830 214 HB3 GLN 25 HB3 GLN 25 26.333 17.952 -4.362 215 HG2 GLN 25 HG2 GLN 25 27.396 20.516 -5.319 216 HG3 GLN 25 HG3 GLN 25 25.715 20.543 -4.792 217 HE21 GLN 25 HE21 GLN 25 28.884 20.782 -3.819 218 HE22 GLN 25 HE22 GLN 25 28.665 20.558 -2.121 219 H VAL 26 H VAL 26 27.696 15.744 -5.067 220 HA VAL 26 HA VAL 26 30.178 16.207 -3.546 221 HB VAL 26 HB VAL 26 27.931 14.290 -2.908 222 HG11 VAL 26 HG11 VAL 26 30.563 14.838 -1.561 223 HG12 VAL 26 HG12 VAL 26 29.213 14.056 -0.739 224 HG13 VAL 26 HG13 VAL 26 29.941 13.299 -2.156 225 HG21 VAL 26 HG21 VAL 26 27.485 16.743 -2.543 226 HG22 VAL 26 HG22 VAL 26 27.356 15.729 -1.107 227 HG23 VAL 26 HG23 VAL 26 28.790 16.724 -1.357 228 HN1 NH2 27 HN1 NH2 27 31.640 15.508 -5.097 229 HN2 NH2 27 HN2 NH2 27 31.730 13.865 -5.636 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 7.183 15.105 -18.589 2 H2 ACE 1 H2 ACE 1 5.757 15.234 -17.531 3 H3 ACE 1 H3 ACE 1 5.822 16.157 -19.051 4 H LYS 2 H LYS 2 6.620 18.112 -19.040 5 HA LYS 2 HA LYS 2 8.596 19.033 -17.208 6 HB2 LYS 2 HB2 LYS 2 7.695 19.893 -19.630 7 HB3 LYS 2 HB3 LYS 2 6.931 21.059 -18.557 8 HG2 LYS 2 HG2 LYS 2 8.829 22.182 -18.403 9 HG3 LYS 2 HG3 LYS 2 9.641 20.755 -17.756 10 HD2 LYS 2 HD2 LYS 2 10.836 21.445 -19.704 11 HD3 LYS 2 HD3 LYS 2 9.955 19.972 -20.115 12 HE2 LYS 2 HE2 LYS 2 8.386 21.125 -21.396 13 HE3 LYS 2 HE3 LYS 2 8.770 22.672 -20.643 14 HZ1 LYS 2 HZ1 LYS 2 10.699 22.888 -21.881 15 HZ2 LYS 2 HZ2 LYS 2 9.619 22.222 -22.999 16 HZ3 LYS 2 HZ3 LYS 2 10.780 21.240 -22.259 17 H ARG 3 H ARG 3 8.161 21.158 -15.970 18 HA ARG 3 HA ARG 3 5.911 20.640 -14.190 19 HB2 ARG 3 HB2 ARG 3 8.159 22.641 -13.898 20 HB3 ARG 3 HB3 ARG 3 7.002 22.179 -12.657 21 HG2 ARG 3 HG2 ARG 3 7.924 20.000 -12.485 22 HG3 ARG 3 HG3 ARG 3 8.914 20.240 -13.925 23 HD2 ARG 3 HD2 ARG 3 10.451 21.516 -12.824 24 HD3 ARG 3 HD3 ARG 3 9.266 22.147 -11.682 25 HE ARG 3 HE ARG 3 10.914 19.840 -11.347 26 HH11 ARG 3 HH11 ARG 3 7.668 20.333 -9.057 27 HH12 ARG 3 HH12 ARG 3 7.837 21.242 -10.521 28 HH21 ARG 3 HH21 ARG 3 9.299 18.852 -8.432 29 HH22 ARG 3 HH22 ARG 3 10.704 18.636 -9.420 30 H ILE 4 H ILE 4 4.219 21.375 -15.546 31 HA ILE 4 HA ILE 4 3.533 24.094 -15.185 32 HB ILE 4 HB ILE 4 5.104 24.520 -16.979 33 HG12 ILE 4 HG12 ILE 4 2.543 24.716 -18.469 34 HG13 ILE 4 HG13 ILE 4 2.584 25.458 -16.874 35 HG21 ILE 4 HG21 ILE 4 4.959 22.197 -17.927 36 HG22 ILE 4 HG22 ILE 4 3.474 22.698 -18.734 37 HG23 ILE 4 HG23 ILE 4 5.000 23.496 -19.120 38 HD11 ILE 4 HD11 ILE 4 3.143 27.140 -18.426 39 HD12 ILE 4 HD12 ILE 4 4.648 26.682 -17.629 40 HD13 ILE 4 HD13 ILE 4 4.296 26.095 -19.254 41 H GLY 5 H GLY 5 3.033 21.122 -17.017 42 HA2 GLY 5 HA2 GLY 5 0.209 21.734 -17.402 43 HA3 GLY 5 HA3 GLY 5 1.064 20.330 -18.021 44 H VAL 6 H VAL 6 -0.961 19.279 -17.234 45 HA VAL 6 HA VAL 6 -1.726 19.087 -14.581 46 HB VAL 6 HB VAL 6 -2.576 16.786 -15.187 47 HG11 VAL 6 HG11 VAL 6 -3.706 19.090 -15.589 48 HG12 VAL 6 HG12 VAL 6 -3.398 18.743 -17.292 49 HG13 VAL 6 HG13 VAL 6 -4.390 17.644 -16.332 50 HG21 VAL 6 HG21 VAL 6 -1.763 17.434 -17.996 51 HG22 VAL 6 HG22 VAL 6 -0.689 16.525 -16.934 52 HG23 VAL 6 HG23 VAL 6 -2.292 15.895 -17.317 53 H ARG 7 H ARG 7 -1.532 17.030 -13.232 54 HA ARG 7 HA ARG 7 1.305 16.504 -12.849 55 HB2 ARG 7 HB2 ARG 7 -0.728 16.971 -11.084 56 HB3 ARG 7 HB3 ARG 7 -0.615 15.217 -11.031 57 HG2 ARG 7 HG2 ARG 7 0.973 15.539 -9.505 58 HG3 ARG 7 HG3 ARG 7 2.008 15.977 -10.866 59 HD2 ARG 7 HD2 ARG 7 0.278 18.104 -9.746 60 HD3 ARG 7 HD3 ARG 7 1.631 17.568 -8.751 61 HE ARG 7 HE ARG 7 2.647 18.019 -11.283 62 HH11 ARG 7 HH11 ARG 7 1.862 21.349 -9.206 63 HH12 ARG 7 HH12 ARG 7 1.075 19.865 -8.785 64 HH21 ARG 7 HH21 ARG 7 3.347 21.407 -10.950 65 HH22 ARG 7 HH22 ARG 7 3.689 19.967 -11.847 66 H LEU 8 H LEU 8 2.126 14.897 -14.028 67 HA LEU 8 HA LEU 8 0.676 12.779 -15.152 68 HB2 LEU 8 HB2 LEU 8 3.583 13.263 -14.639 69 HB3 LEU 8 HB3 LEU 8 3.039 11.711 -15.271 70 HG LEU 8 HG LEU 8 3.816 13.121 -17.074 71 HD11 LEU 8 HD11 LEU 8 1.902 13.005 -18.520 72 HD12 LEU 8 HD12 LEU 8 0.808 12.959 -17.137 73 HD13 LEU 8 HD13 LEU 8 1.894 11.604 -17.447 74 HD21 LEU 8 HD21 LEU 8 1.690 15.081 -16.214 75 HD22 LEU 8 HD22 LEU 8 2.752 15.234 -17.614 76 HD23 LEU 8 HD23 LEU 8 3.426 15.290 -15.983 77 HA PRO 9 HA PRO 9 0.237 9.786 -11.974 78 HB2 PRO 9 HB2 PRO 9 0.624 7.466 -13.331 79 HB3 PRO 9 HB3 PRO 9 -0.828 8.457 -13.517 80 HG2 PRO 9 HG2 PRO 9 1.600 8.310 -15.261 81 HG3 PRO 9 HG3 PRO 9 -0.110 8.372 -15.727 82 HD2 PRO 9 HD2 PRO 9 1.500 10.549 -15.797 83 HD3 PRO 9 HD3 PRO 9 -0.234 10.655 -15.437 84 H GLY 10 H GLY 10 3.187 9.870 -13.819 85 HA2 GLY 10 HA2 GLY 10 4.589 7.971 -12.164 86 HA3 GLY 10 HA3 GLY 10 5.292 8.989 -13.412 87 H HIS 11 H HIS 11 5.043 8.453 -10.114 88 HA HIS 11 HA HIS 11 5.961 11.182 -9.498 89 HB2 HIS 11 HB2 HIS 11 4.681 9.115 -7.700 90 HB3 HIS 11 HB3 HIS 11 5.310 10.664 -7.146 91 HD1 HIS 11 HD1 HIS 11 3.133 9.963 -10.179 92 HD2 HIS 11 HD2 HIS 11 3.045 12.051 -6.589 93 HE1 HIS 11 HE1 HIS 11 0.983 11.267 -10.213 94 H GLN 12 H GLN 12 7.727 9.304 -10.620 95 HA GLN 12 HA GLN 12 9.742 9.246 -8.547 96 HB2 GLN 12 HB2 GLN 12 10.260 6.862 -8.829 97 HB3 GLN 12 HB3 GLN 12 8.639 7.099 -8.189 98 HG2 GLN 12 HG2 GLN 12 7.964 6.952 -10.720 99 HG3 GLN 12 HG3 GLN 12 9.501 6.099 -10.851 100 HE21 GLN 12 HE21 GLN 12 6.240 5.847 -10.091 101 HE22 GLN 12 HE22 GLN 12 6.257 4.260 -9.412 102 H LYS 13 H LYS 13 9.300 10.575 -11.112 103 HA LYS 13 HA LYS 13 11.321 9.384 -12.851 104 HB2 LYS 13 HB2 LYS 13 8.991 10.964 -13.272 105 HB3 LYS 13 HB3 LYS 13 10.374 11.884 -13.852 106 HG2 LYS 13 HG2 LYS 13 10.129 10.732 -15.741 107 HG3 LYS 13 HG3 LYS 13 10.860 9.385 -14.865 108 HD2 LYS 13 HD2 LYS 13 8.864 8.307 -14.582 109 HD3 LYS 13 HD3 LYS 13 7.931 9.807 -14.581 110 HE2 LYS 13 HE2 LYS 13 9.313 9.019 -17.091 111 HE3 LYS 13 HE3 LYS 13 7.875 8.115 -16.622 112 HZ1 LYS 13 HZ1 LYS 13 7.343 9.987 -18.066 113 HZ2 LYS 13 HZ2 LYS 13 8.013 11.064 -16.948 114 HZ3 LYS 13 HZ3 LYS 13 6.633 10.174 -16.542 115 H ARG 14 H ARG 14 10.638 12.617 -11.499 116 HA ARG 14 HA ARG 14 13.254 13.597 -12.036 117 HB2 ARG 14 HB2 ARG 14 10.818 14.705 -11.276 118 HB3 ARG 14 HB3 ARG 14 11.865 14.987 -9.892 119 HG2 ARG 14 HG2 ARG 14 13.497 16.080 -11.342 120 HG3 ARG 14 HG3 ARG 14 12.452 15.791 -12.735 121 HD2 ARG 14 HD2 ARG 14 10.907 17.046 -10.705 122 HD3 ARG 14 HD3 ARG 14 12.405 17.955 -10.895 123 HE ARG 14 HE ARG 14 10.248 17.742 -12.790 124 HH11 ARG 14 HH11 ARG 14 13.762 19.377 -13.794 125 HH12 ARG 14 HH12 ARG 14 13.634 18.427 -12.351 126 HH21 ARG 14 HH21 ARG 14 11.924 19.699 -15.125 127 HH22 ARG 14 HH22 ARG 14 10.405 18.991 -14.693 128 HN MK8 15 HNA MK8 15 12.048 11.499 -9.558 129 HB MK8 15 HB MK8 15 12.009 10.097 -7.298 130 HBA MK8 15 HBA MK8 15 12.908 9.355 -8.594 131 HD MK8 15 HD MK8 15 14.432 7.384 -7.720 132 HDA MK8 15 HDA MK8 15 15.540 8.703 -7.981 133 HE MK8 15 HE MK8 15 15.337 7.179 -5.325 134 HG MK8 15 HG MK8 15 14.338 9.851 -5.933 135 HGA MK8 15 HGA MK8 15 13.174 8.562 -6.049 136 HB1 MK8 15 HB1 MK8 15 12.405 12.376 -6.509 137 HB1A MK8 15 HB1A MK8 15 14.054 12.007 -6.003 138 HB1B MK8 15 HB1B MK8 15 13.750 13.347 -7.095 139 H ALA 16 H ALA 16 14.344 10.208 -10.075 140 HA ALA 16 HA ALA 16 16.969 9.535 -9.660 141 HB1 ALA 16 HB1 ALA 16 16.443 10.350 -12.419 142 HB2 ALA 16 HB2 ALA 16 16.908 8.779 -11.766 143 HB3 ALA 16 HB3 ALA 16 15.216 9.282 -11.739 144 H TYR 17 H TYR 17 15.732 12.540 -11.094 145 HA TYR 17 HA TYR 17 18.183 13.707 -11.736 146 HB2 TYR 17 HB2 TYR 17 15.571 14.442 -12.006 147 HB3 TYR 17 HB3 TYR 17 16.114 15.565 -10.763 148 HD1 TYR 17 HD1 TYR 17 17.165 17.534 -11.395 149 HD2 TYR 17 HD2 TYR 17 17.085 14.273 -14.126 150 HE1 TYR 17 HE1 TYR 17 18.174 18.963 -13.123 151 HE2 TYR 17 HE2 TYR 17 18.094 15.693 -15.861 152 HH TYR 17 HH TYR 17 18.310 18.068 -16.401 153 H SER 18 H SER 18 16.274 13.913 -8.752 154 HA SER 18 HA SER 18 17.849 15.731 -7.361 155 HB2 SER 18 HB2 SER 18 15.573 14.608 -6.735 156 HB3 SER 18 HB3 SER 18 16.589 13.403 -5.943 157 HG SER 18 HG SER 18 15.864 15.756 -5.011 158 HN MK8 19 HNA MK8 19 18.290 12.237 -7.852 159 HB MK8 19 HB MK8 19 19.664 10.221 -8.495 160 HBA MK8 19 HBA MK8 19 20.773 9.687 -7.278 161 HD MK8 19 HD MK8 19 17.734 8.406 -8.082 162 HDA MK8 19 HDA MK8 19 19.023 7.630 -7.199 163 HE MK8 19 HE MK8 19 17.675 7.271 -5.225 164 HG MK8 19 HG MK8 19 19.029 9.542 -5.572 165 HGA MK8 19 HGA MK8 19 17.858 10.373 -6.573 166 HB1 MK8 19 HB1 MK8 19 20.962 12.671 -5.193 167 HB1A MK8 19 HB1A MK8 19 19.681 11.540 -4.898 168 HB1B MK8 19 HB1B MK8 19 21.311 10.965 -5.317 169 H LEU 20 H LEU 20 20.232 12.693 -9.375 170 HA LEU 20 HA LEU 20 22.846 12.959 -10.193 171 HB2 LEU 20 HB2 LEU 20 20.533 13.307 -11.414 172 HB3 LEU 20 HB3 LEU 20 20.877 15.004 -11.084 173 HG LEU 20 HG LEU 20 21.626 14.597 -13.281 174 HD11 LEU 20 HD11 LEU 20 23.919 15.141 -13.175 175 HD12 LEU 20 HD12 LEU 20 24.122 14.314 -11.631 176 HD13 LEU 20 HD13 LEU 20 23.192 15.810 -11.713 177 HD21 LEU 20 HD21 LEU 20 22.291 11.981 -12.211 178 HD22 LEU 20 HD22 LEU 20 23.578 12.646 -13.217 179 HD23 LEU 20 HD23 LEU 20 21.949 12.472 -13.870 180 H GLY 21 H GLY 21 20.779 15.551 -8.867 181 HA2 GLY 21 HA2 GLY 21 22.874 17.467 -8.764 182 HA3 GLY 21 HA3 GLY 21 21.325 17.586 -7.944 183 H LEU 22 H LEU 22 22.343 14.743 -6.891 184 HA LEU 22 HA LEU 22 23.993 15.861 -4.724 185 HB2 LEU 22 HB2 LEU 22 21.394 15.019 -4.449 186 HB3 LEU 22 HB3 LEU 22 22.314 13.593 -3.973 187 HG LEU 22 HG LEU 22 23.580 15.423 -2.489 188 HD11 LEU 22 HD11 LEU 22 21.276 16.641 -1.619 189 HD12 LEU 22 HD12 LEU 22 21.125 16.710 -3.375 190 HD13 LEU 22 HD13 LEU 22 22.544 17.394 -2.585 191 HD21 LEU 22 HD21 LEU 22 22.494 14.504 -0.665 192 HD22 LEU 22 HD22 LEU 22 22.245 13.278 -1.908 193 HD23 LEU 22 HD23 LEU 22 20.947 14.402 -1.505 194 H LYS 23 H LYS 23 24.872 14.508 -7.101 195 HA LYS 23 HA LYS 23 26.204 12.223 -5.833 196 HB2 LYS 23 HB2 LYS 23 24.346 11.382 -7.255 197 HB3 LYS 23 HB3 LYS 23 25.081 12.177 -8.639 198 HG2 LYS 23 HG2 LYS 23 27.020 10.758 -8.486 199 HG3 LYS 23 HG3 LYS 23 26.408 10.027 -7.001 200 HD2 LYS 23 HD2 LYS 23 25.282 8.525 -8.193 201 HD3 LYS 23 HD3 LYS 23 24.394 9.817 -9.004 202 HE2 LYS 23 HE2 LYS 23 25.374 8.923 -10.837 203 HE3 LYS 23 HE3 LYS 23 26.707 9.966 -10.346 204 HZ1 LYS 23 HZ1 LYS 23 27.976 8.220 -9.815 205 HZ2 LYS 23 HZ2 LYS 23 26.913 7.323 -10.777 206 HZ3 LYS 23 HZ3 LYS 23 26.707 7.363 -9.099 207 H ASP 24 H ASP 24 26.138 14.486 -8.557 208 HA ASP 24 HA ASP 24 28.868 14.010 -9.283 209 HB2 ASP 24 HB2 ASP 24 26.932 14.914 -10.755 210 HB3 ASP 24 HB3 ASP 24 27.326 16.476 -10.042 211 H GLN 25 H GLN 25 27.179 16.274 -7.219 212 HA GLN 25 HA GLN 25 29.475 17.974 -6.847 213 HB2 GLN 25 HB2 GLN 25 26.810 18.386 -6.565 214 HB3 GLN 25 HB3 GLN 25 27.267 18.101 -4.891 215 HG2 GLN 25 HG2 GLN 25 28.589 20.124 -6.681 216 HG3 GLN 25 HG3 GLN 25 27.271 20.489 -5.571 217 HE21 GLN 25 HE21 GLN 25 27.671 20.644 -3.408 218 HE22 GLN 25 HE22 GLN 25 29.259 20.604 -2.727 219 H VAL 26 H VAL 26 27.669 15.671 -4.821 220 HA VAL 26 HA VAL 26 29.195 15.827 -2.518 221 HB VAL 26 HB VAL 26 27.081 14.548 -2.715 222 HG11 VAL 26 HG11 VAL 26 27.740 13.448 -4.886 223 HG12 VAL 26 HG12 VAL 26 28.736 12.348 -3.931 224 HG13 VAL 26 HG13 VAL 26 26.989 12.390 -3.691 225 HG21 VAL 26 HG21 VAL 26 28.919 14.212 -0.917 226 HG22 VAL 26 HG22 VAL 26 27.597 13.050 -1.023 227 HG23 VAL 26 HG23 VAL 26 29.172 12.658 -1.711 228 HN1 NH2 27 HN1 NH2 27 30.977 14.706 -1.698 229 HN2 NH2 27 HN2 NH2 27 32.117 13.896 -2.719 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 8.518 -3.639 -12.050 2 H2 ACE 1 H2 ACE 1 7.981 -3.109 -10.438 3 H3 ACE 1 H3 ACE 1 6.818 -3.850 -11.563 4 H LYS 2 H LYS 2 6.303 -1.458 -10.393 5 HA LYS 2 HA LYS 2 5.473 0.595 -10.936 6 HB2 LYS 2 HB2 LYS 2 8.281 0.630 -11.957 7 HB3 LYS 2 HB3 LYS 2 7.227 1.984 -12.347 8 HG2 LYS 2 HG2 LYS 2 6.879 1.553 -9.613 9 HG3 LYS 2 HG3 LYS 2 8.612 1.386 -9.900 10 HD2 LYS 2 HD2 LYS 2 8.420 3.657 -9.545 11 HD3 LYS 2 HD3 LYS 2 8.301 3.567 -11.304 12 HE2 LYS 2 HE2 LYS 2 5.704 3.238 -10.136 13 HE3 LYS 2 HE3 LYS 2 6.461 4.697 -9.499 14 HZ1 LYS 2 HZ1 LYS 2 5.176 5.086 -11.542 15 HZ2 LYS 2 HZ2 LYS 2 6.215 4.053 -12.387 16 HZ3 LYS 2 HZ3 LYS 2 6.810 5.491 -11.722 17 H ARG 3 H ARG 3 3.994 -0.803 -12.339 18 HA ARG 3 HA ARG 3 4.375 -0.265 -15.197 19 HB2 ARG 3 HB2 ARG 3 2.586 -1.910 -15.553 20 HB3 ARG 3 HB3 ARG 3 3.907 -2.584 -14.607 21 HG2 ARG 3 HG2 ARG 3 2.653 -2.731 -12.701 22 HG3 ARG 3 HG3 ARG 3 1.587 -1.405 -13.170 23 HD2 ARG 3 HD2 ARG 3 0.194 -3.211 -13.450 24 HD3 ARG 3 HD3 ARG 3 0.869 -3.048 -15.072 25 HE ARG 3 HE ARG 3 2.379 -4.825 -13.411 26 HH11 ARG 3 HH11 ARG 3 -0.439 -6.248 -15.873 27 HH12 ARG 3 HH12 ARG 3 -0.413 -4.561 -15.474 28 HH21 ARG 3 HH21 ARG 3 1.135 -7.661 -14.992 29 HH22 ARG 3 HH22 ARG 3 2.354 -7.048 -13.929 30 H ILE 4 H ILE 4 3.683 1.891 -13.483 31 HA ILE 4 HA ILE 4 2.202 3.609 -13.262 32 HB ILE 4 HB ILE 4 1.123 2.616 -15.900 33 HG12 ILE 4 HG12 ILE 4 2.812 4.721 -16.443 34 HG13 ILE 4 HG13 ILE 4 3.674 3.866 -15.168 35 HG21 ILE 4 HG21 ILE 4 -0.113 4.471 -15.999 36 HG22 ILE 4 HG22 ILE 4 0.194 4.629 -14.271 37 HG23 ILE 4 HG23 ILE 4 1.213 5.484 -15.427 38 HD11 ILE 4 HD11 ILE 4 2.674 2.009 -17.113 39 HD12 ILE 4 HD12 ILE 4 3.630 3.270 -17.891 40 HD13 ILE 4 HD13 ILE 4 4.331 2.307 -16.590 41 H GLY 5 H GLY 5 1.128 2.665 -11.454 42 HA2 GLY 5 HA2 GLY 5 -1.691 2.228 -11.956 43 HA3 GLY 5 HA3 GLY 5 -0.846 0.838 -11.290 44 H VAL 6 H VAL 6 0.196 4.019 -10.412 45 HA VAL 6 HA VAL 6 -0.639 3.504 -7.663 46 HB VAL 6 HB VAL 6 1.703 4.176 -8.114 47 HG11 VAL 6 HG11 VAL 6 1.199 5.694 -10.004 48 HG12 VAL 6 HG12 VAL 6 0.528 6.853 -8.854 49 HG13 VAL 6 HG13 VAL 6 2.239 6.429 -8.785 50 HG21 VAL 6 HG21 VAL 6 0.666 6.472 -6.581 51 HG22 VAL 6 HG22 VAL 6 0.137 4.878 -6.039 52 HG23 VAL 6 HG23 VAL 6 1.859 5.252 -6.133 53 H ARG 7 H ARG 7 -1.299 5.644 -10.330 54 HA ARG 7 HA ARG 7 -2.829 7.296 -10.651 55 HB2 ARG 7 HB2 ARG 7 -4.377 5.500 -9.953 56 HB3 ARG 7 HB3 ARG 7 -4.199 6.015 -8.280 57 HG2 ARG 7 HG2 ARG 7 -6.157 7.048 -8.840 58 HG3 ARG 7 HG3 ARG 7 -4.997 8.321 -9.221 59 HD2 ARG 7 HD2 ARG 7 -5.218 6.692 -11.515 60 HD3 ARG 7 HD3 ARG 7 -6.858 7.001 -10.944 61 HE ARG 7 HE ARG 7 -5.109 8.865 -12.190 62 HH11 ARG 7 HH11 ARG 7 -8.147 10.216 -9.960 63 HH12 ARG 7 HH12 ARG 7 -7.617 8.576 -9.791 64 HH21 ARG 7 HH21 ARG 7 -7.114 11.610 -11.456 65 HH22 ARG 7 HH22 ARG 7 -5.800 11.027 -12.420 66 H LEU 8 H LEU 8 -1.079 8.748 -9.919 67 HA LEU 8 HA LEU 8 -2.058 10.635 -8.045 68 HB2 LEU 8 HB2 LEU 8 -0.322 8.559 -7.047 69 HB3 LEU 8 HB3 LEU 8 0.423 10.146 -6.860 70 HG LEU 8 HG LEU 8 -2.250 10.357 -5.952 71 HD11 LEU 8 HD11 LEU 8 -2.611 8.634 -4.489 72 HD12 LEU 8 HD12 LEU 8 -0.901 8.226 -4.372 73 HD13 LEU 8 HD13 LEU 8 -1.819 7.771 -5.807 74 HD21 LEU 8 HD21 LEU 8 0.493 10.677 -4.941 75 HD22 LEU 8 HD22 LEU 8 -0.738 10.393 -3.710 76 HD23 LEU 8 HD23 LEU 8 -0.898 11.754 -4.822 77 HA PRO 9 HA PRO 9 0.549 13.254 -10.417 78 HB2 PRO 9 HB2 PRO 9 0.969 15.285 -8.666 79 HB3 PRO 9 HB3 PRO 9 -0.578 15.021 -9.478 80 HG2 PRO 9 HG2 PRO 9 0.263 14.257 -6.708 81 HG3 PRO 9 HG3 PRO 9 -1.270 14.960 -7.258 82 HD2 PRO 9 HD2 PRO 9 -0.985 12.318 -6.733 83 HD3 PRO 9 HD3 PRO 9 -2.087 12.930 -7.984 84 H GLY 10 H GLY 10 1.623 12.081 -7.318 85 HA2 GLY 10 HA2 GLY 10 4.316 13.069 -7.578 86 HA3 GLY 10 HA3 GLY 10 3.728 11.945 -6.362 87 H HIS 11 H HIS 11 5.561 12.294 -9.167 88 HA HIS 11 HA HIS 11 5.531 9.394 -9.667 89 HB2 HIS 11 HB2 HIS 11 6.426 11.671 -11.444 90 HB3 HIS 11 HB3 HIS 11 6.587 9.964 -11.853 91 HD1 HIS 11 HD1 HIS 11 3.551 11.673 -10.352 92 HD2 HIS 11 HD2 HIS 11 4.728 9.729 -13.830 93 HE1 HIS 11 HE1 HIS 11 1.463 11.443 -11.734 94 H GLN 12 H GLN 12 7.571 8.336 -10.071 95 HA GLN 12 HA GLN 12 9.716 9.490 -8.441 96 HB2 GLN 12 HB2 GLN 12 9.143 6.665 -9.336 97 HB3 GLN 12 HB3 GLN 12 10.635 7.130 -8.529 98 HG2 GLN 12 HG2 GLN 12 9.416 7.804 -6.565 99 HG3 GLN 12 HG3 GLN 12 7.880 7.493 -7.374 100 HE21 GLN 12 HE21 GLN 12 10.399 6.192 -5.521 101 HE22 GLN 12 HE22 GLN 12 9.875 4.546 -5.521 102 H LYS 13 H LYS 13 9.186 10.323 -11.195 103 HA LYS 13 HA LYS 13 11.321 9.178 -12.779 104 HB2 LYS 13 HB2 LYS 13 9.052 10.990 -13.236 105 HB3 LYS 13 HB3 LYS 13 10.494 11.391 -14.160 106 HG2 LYS 13 HG2 LYS 13 10.415 9.457 -15.385 107 HG3 LYS 13 HG3 LYS 13 9.540 8.571 -14.135 108 HD2 LYS 13 HD2 LYS 13 7.783 8.889 -15.517 109 HD3 LYS 13 HD3 LYS 13 7.723 10.474 -14.742 110 HE2 LYS 13 HE2 LYS 13 7.651 10.999 -16.999 111 HE3 LYS 13 HE3 LYS 13 9.359 11.190 -16.608 112 HZ1 LYS 13 HZ1 LYS 13 8.194 9.511 -18.523 113 HZ2 LYS 13 HZ2 LYS 13 8.933 8.533 -17.358 114 HZ3 LYS 13 HZ3 LYS 13 9.837 9.714 -18.165 115 H ARG 14 H ARG 14 10.546 12.466 -11.626 116 HA ARG 14 HA ARG 14 13.137 13.482 -12.221 117 HB2 ARG 14 HB2 ARG 14 11.013 14.835 -12.048 118 HB3 ARG 14 HB3 ARG 14 11.124 14.657 -10.302 119 HG2 ARG 14 HG2 ARG 14 13.245 15.828 -10.290 120 HG3 ARG 14 HG3 ARG 14 13.208 15.949 -12.050 121 HD2 ARG 14 HD2 ARG 14 10.813 17.032 -11.426 122 HD3 ARG 14 HD3 ARG 14 11.754 17.494 -10.007 123 HE ARG 14 HE ARG 14 12.814 19.036 -11.305 124 HH11 ARG 14 HH11 ARG 14 11.984 17.359 -14.844 125 HH12 ARG 14 HH12 ARG 14 11.511 16.561 -13.380 126 HH21 ARG 14 HH21 ARG 14 13.080 19.367 -14.755 127 HH22 ARG 14 HH22 ARG 14 13.439 20.095 -13.225 128 HN MK8 15 HNA MK8 15 11.956 11.538 -9.608 129 HB MK8 15 HB MK8 15 11.906 10.350 -7.247 130 HBA MK8 15 HBA MK8 15 12.842 9.481 -8.437 131 HD MK8 15 HD MK8 15 14.351 7.579 -7.225 132 HDA MK8 15 HDA MK8 15 15.366 8.858 -7.797 133 HE MK8 15 HE MK8 15 15.490 7.490 -5.078 134 HG MK8 15 HG MK8 15 14.215 10.269 -5.822 135 HGA MK8 15 HGA MK8 15 13.057 8.971 -5.808 136 HB1 MK8 15 HB1 MK8 15 13.934 12.376 -6.104 137 HB1A MK8 15 HB1A MK8 15 13.673 13.606 -7.322 138 HB1B MK8 15 HB1B MK8 15 12.300 12.712 -6.678 139 H ALA 16 H ALA 16 14.293 10.201 -10.009 140 HA ALA 16 HA ALA 16 16.917 9.598 -9.566 141 HB1 ALA 16 HB1 ALA 16 16.775 10.069 -12.325 142 HB2 ALA 16 HB2 ALA 16 16.527 8.541 -11.478 143 HB3 ALA 16 HB3 ALA 16 15.152 9.587 -11.828 144 H TYR 17 H TYR 17 15.605 12.602 -10.834 145 HA TYR 17 HA TYR 17 18.022 13.752 -11.702 146 HB2 TYR 17 HB2 TYR 17 15.644 14.544 -12.183 147 HB3 TYR 17 HB3 TYR 17 15.682 15.300 -10.595 148 HD1 TYR 17 HD1 TYR 17 16.258 15.814 -14.008 149 HD2 TYR 17 HD2 TYR 17 17.808 16.839 -10.181 150 HE1 TYR 17 HE1 TYR 17 17.347 17.791 -14.986 151 HE2 TYR 17 HE2 TYR 17 18.902 18.819 -11.148 152 HH TYR 17 HH TYR 17 19.068 20.127 -12.965 153 H SER 18 H SER 18 16.299 13.976 -8.606 154 HA SER 18 HA SER 18 17.992 15.779 -7.327 155 HB2 SER 18 HB2 SER 18 15.723 14.458 -6.614 156 HB3 SER 18 HB3 SER 18 16.917 13.613 -5.629 157 HG SER 18 HG SER 18 16.198 15.370 -4.470 158 HN MK8 19 HNA MK8 19 18.350 12.275 -7.858 159 HB MK8 19 HB MK8 19 19.712 10.353 -8.677 160 HBA MK8 19 HBA MK8 19 21.099 9.894 -7.767 161 HD MK8 19 HD MK8 19 17.770 10.683 -6.038 162 HDA MK8 19 HDA MK8 19 17.293 9.834 -7.498 163 HE MK8 19 HE MK8 19 17.647 8.381 -4.802 164 HG MK8 19 HG MK8 19 19.258 8.366 -7.353 165 HGA MK8 19 HGA MK8 19 19.768 9.123 -5.872 166 HB1 MK8 19 HB1 MK8 19 20.951 12.584 -5.192 167 HB1A MK8 19 HB1A MK8 19 19.824 11.275 -5.026 168 HB1B MK8 19 HB1B MK8 19 21.507 10.952 -5.486 169 H LEU 20 H LEU 20 20.276 12.782 -9.428 170 HA LEU 20 HA LEU 20 22.891 13.064 -10.250 171 HB2 LEU 20 HB2 LEU 20 20.550 13.469 -11.431 172 HB3 LEU 20 HB3 LEU 20 20.950 15.151 -11.086 173 HG LEU 20 HG LEU 20 21.587 14.555 -13.351 174 HD11 LEU 20 HD11 LEU 20 23.050 15.989 -11.672 175 HD12 LEU 20 HD12 LEU 20 23.573 15.661 -13.323 176 HD13 LEU 20 HD13 LEU 20 24.217 14.705 -11.988 177 HD21 LEU 20 HD21 LEU 20 22.856 12.756 -13.943 178 HD22 LEU 20 HD22 LEU 20 22.056 12.088 -12.520 179 HD23 LEU 20 HD23 LEU 20 23.706 12.703 -12.399 180 H GLY 21 H GLY 21 20.829 15.577 -8.778 181 HA2 GLY 21 HA2 GLY 21 22.938 17.495 -8.637 182 HA3 GLY 21 HA3 GLY 21 21.378 17.604 -7.835 183 H LEU 22 H LEU 22 22.439 14.708 -6.890 184 HA LEU 22 HA LEU 22 24.037 15.759 -4.655 185 HB2 LEU 22 HB2 LEU 22 21.431 14.911 -4.438 186 HB3 LEU 22 HB3 LEU 22 22.348 13.475 -3.986 187 HG LEU 22 HG LEU 22 23.594 15.200 -2.412 188 HD11 LEU 22 HD11 LEU 22 21.011 16.523 -3.117 189 HD12 LEU 22 HD12 LEU 22 22.611 17.229 -2.890 190 HD13 LEU 22 HD13 LEU 22 21.676 16.696 -1.493 191 HD21 LEU 22 HD21 LEU 22 21.016 13.736 -2.022 192 HD22 LEU 22 HD22 LEU 22 21.695 14.702 -0.712 193 HD23 LEU 22 HD23 LEU 22 22.622 13.367 -1.395 194 H LYS 23 H LYS 23 24.925 14.468 -7.069 195 HA LYS 23 HA LYS 23 26.244 12.146 -5.854 196 HB2 LYS 23 HB2 LYS 23 24.497 11.212 -7.241 197 HB3 LYS 23 HB3 LYS 23 24.977 12.227 -8.596 198 HG2 LYS 23 HG2 LYS 23 26.606 10.829 -9.219 199 HG3 LYS 23 HG3 LYS 23 27.126 10.538 -7.558 200 HD2 LYS 23 HD2 LYS 23 25.139 9.048 -7.282 201 HD3 LYS 23 HD3 LYS 23 24.817 9.244 -9.005 202 HE2 LYS 23 HE2 LYS 23 26.579 7.945 -9.620 203 HE3 LYS 23 HE3 LYS 23 27.553 8.420 -8.231 204 HZ1 LYS 23 HZ1 LYS 23 26.847 6.676 -7.068 205 HZ2 LYS 23 HZ2 LYS 23 26.267 6.049 -8.527 206 HZ3 LYS 23 HZ3 LYS 23 25.229 6.907 -7.503 207 H ASP 24 H ASP 24 26.209 14.478 -8.523 208 HA ASP 24 HA ASP 24 28.889 14.013 -9.332 209 HB2 ASP 24 HB2 ASP 24 26.724 15.530 -10.260 210 HB3 ASP 24 HB3 ASP 24 27.985 16.703 -9.898 211 H GLN 25 H GLN 25 27.379 16.285 -7.096 212 HA GLN 25 HA GLN 25 29.708 17.828 -6.607 213 HB2 GLN 25 HB2 GLN 25 26.986 17.673 -5.582 214 HB3 GLN 25 HB3 GLN 25 28.155 18.028 -4.318 215 HG2 GLN 25 HG2 GLN 25 27.186 20.045 -5.343 216 HG3 GLN 25 HG3 GLN 25 28.940 19.957 -5.506 217 HE21 GLN 25 HE21 GLN 25 25.992 19.028 -7.248 218 HE22 GLN 25 HE22 GLN 25 26.582 19.445 -8.817 219 H VAL 26 H VAL 26 28.143 15.229 -4.741 220 HA VAL 26 HA VAL 26 30.058 15.108 -2.690 221 HB VAL 26 HB VAL 26 28.341 12.843 -3.716 222 HG11 VAL 26 HG11 VAL 26 28.540 12.346 -1.124 223 HG12 VAL 26 HG12 VAL 26 29.749 11.773 -2.274 224 HG13 VAL 26 HG13 VAL 26 30.057 13.225 -1.321 225 HG21 VAL 26 HG21 VAL 26 27.769 15.089 -1.806 226 HG22 VAL 26 HG22 VAL 26 26.842 14.582 -3.218 227 HG23 VAL 26 HG23 VAL 26 26.863 13.576 -1.769 228 HN1 NH2 27 HN1 NH2 27 32.115 14.482 -2.716 229 HN2 NH2 27 HN2 NH2 27 32.836 13.391 -3.850 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -14.873 13.354 -13.901 2 H2 ACE 1 H2 ACE 1 -13.222 13.402 -14.561 3 H3 ACE 1 H3 ACE 1 -13.585 12.389 -13.142 4 H LYS 2 H LYS 2 -11.862 13.489 -12.116 5 HA LYS 2 HA LYS 2 -12.797 15.850 -10.710 6 HB2 LYS 2 HB2 LYS 2 -10.247 14.275 -10.313 7 HB3 LYS 2 HB3 LYS 2 -10.916 15.476 -9.217 8 HG2 LYS 2 HG2 LYS 2 -12.995 13.853 -9.263 9 HG3 LYS 2 HG3 LYS 2 -11.759 12.675 -9.707 10 HD2 LYS 2 HD2 LYS 2 -10.995 12.580 -7.614 11 HD3 LYS 2 HD3 LYS 2 -10.884 14.338 -7.511 12 HE2 LYS 2 HE2 LYS 2 -12.955 14.548 -6.568 13 HE3 LYS 2 HE3 LYS 2 -13.580 13.102 -7.358 14 HZ1 LYS 2 HZ1 LYS 2 -12.259 11.758 -5.828 15 HZ2 LYS 2 HZ2 LYS 2 -13.347 12.749 -4.994 16 HZ3 LYS 2 HZ3 LYS 2 -11.706 13.157 -5.054 17 H ARG 3 H ARG 3 -10.599 17.239 -10.065 18 HA ARG 3 HA ARG 3 -9.840 18.430 -12.624 19 HB2 ARG 3 HB2 ARG 3 -9.241 20.392 -11.377 20 HB3 ARG 3 HB3 ARG 3 -10.816 19.846 -10.814 21 HG2 ARG 3 HG2 ARG 3 -9.476 18.626 -8.973 22 HG3 ARG 3 HG3 ARG 3 -8.174 19.726 -9.427 23 HD2 ARG 3 HD2 ARG 3 -9.242 21.551 -8.596 24 HD3 ARG 3 HD3 ARG 3 -10.842 20.924 -8.989 25 HE ARG 3 HE ARG 3 -10.948 19.968 -6.905 26 HH11 ARG 3 HH11 ARG 3 -7.127 20.672 -5.944 27 HH12 ARG 3 HH12 ARG 3 -7.678 20.964 -7.561 28 HH21 ARG 3 HH21 ARG 3 -8.582 19.885 -4.360 29 HH22 ARG 3 HH22 ARG 3 -10.236 19.581 -4.774 30 H ILE 4 H ILE 4 -7.733 18.720 -13.277 31 HA ILE 4 HA ILE 4 -5.790 16.944 -12.030 32 HB ILE 4 HB ILE 4 -5.443 18.571 -14.546 33 HG12 ILE 4 HG12 ILE 4 -5.851 15.927 -15.284 34 HG13 ILE 4 HG13 ILE 4 -7.054 16.197 -14.028 35 HG21 ILE 4 HG21 ILE 4 -3.487 17.500 -14.857 36 HG22 ILE 4 HG22 ILE 4 -3.557 17.285 -13.109 37 HG23 ILE 4 HG23 ILE 4 -4.085 15.987 -14.179 38 HD11 ILE 4 HD11 ILE 4 -7.342 16.799 -16.676 39 HD12 ILE 4 HD12 ILE 4 -8.304 17.469 -15.359 40 HD13 ILE 4 HD13 ILE 4 -6.912 18.358 -15.974 41 H GLY 5 H GLY 5 -5.519 20.211 -13.449 42 HA2 GLY 5 HA2 GLY 5 -4.723 22.142 -12.362 43 HA3 GLY 5 HA3 GLY 5 -4.176 21.139 -11.027 44 H VAL 6 H VAL 6 -2.158 22.226 -11.060 45 HA VAL 6 HA VAL 6 -0.492 21.925 -13.429 46 HB VAL 6 HB VAL 6 0.194 23.179 -10.767 47 HG11 VAL 6 HG11 VAL 6 2.242 22.752 -11.726 48 HG12 VAL 6 HG12 VAL 6 1.630 22.922 -13.372 49 HG13 VAL 6 HG13 VAL 6 1.887 24.354 -12.373 50 HG21 VAL 6 HG21 VAL 6 -1.130 24.856 -11.388 51 HG22 VAL 6 HG22 VAL 6 -0.013 25.159 -12.719 52 HG23 VAL 6 HG23 VAL 6 -1.421 24.125 -12.967 53 H ARG 7 H ARG 7 -0.178 19.682 -13.493 54 HA ARG 7 HA ARG 7 0.930 17.738 -13.092 55 HB2 ARG 7 HB2 ARG 7 2.671 19.825 -12.176 56 HB3 ARG 7 HB3 ARG 7 2.830 18.433 -11.114 57 HG2 ARG 7 HG2 ARG 7 4.441 18.081 -12.751 58 HG3 ARG 7 HG3 ARG 7 3.092 17.062 -13.258 59 HD2 ARG 7 HD2 ARG 7 2.763 19.675 -14.365 60 HD3 ARG 7 HD3 ARG 7 4.391 19.098 -14.720 61 HE ARG 7 HE ARG 7 1.951 18.142 -15.845 62 HH11 ARG 7 HH11 ARG 7 5.258 15.897 -16.056 63 HH12 ARG 7 HH12 ARG 7 5.172 17.203 -14.920 64 HH21 ARG 7 HH21 ARG 7 3.483 15.456 -17.435 65 HH22 ARG 7 HH22 ARG 7 2.051 16.426 -17.344 66 H LEU 8 H LEU 8 1.689 16.250 -11.196 67 HA LEU 8 HA LEU 8 -0.319 16.498 -9.058 68 HB2 LEU 8 HB2 LEU 8 0.826 14.139 -10.497 69 HB3 LEU 8 HB3 LEU 8 0.149 13.951 -8.882 70 HG LEU 8 HG LEU 8 -1.482 13.320 -10.550 71 HD11 LEU 8 HD11 LEU 8 -2.227 15.985 -9.355 72 HD12 LEU 8 HD12 LEU 8 -2.225 14.455 -8.477 73 HD13 LEU 8 HD13 LEU 8 -3.323 14.690 -9.837 74 HD21 LEU 8 HD21 LEU 8 -0.558 14.726 -12.375 75 HD22 LEU 8 HD22 LEU 8 -1.276 16.139 -11.602 76 HD23 LEU 8 HD23 LEU 8 -2.310 14.846 -12.210 77 HA PRO 9 HA PRO 9 2.791 16.582 -5.961 78 HB2 PRO 9 HB2 PRO 9 1.651 15.115 -3.982 79 HB3 PRO 9 HB3 PRO 9 1.098 16.738 -4.414 80 HG2 PRO 9 HG2 PRO 9 -0.037 14.080 -5.194 81 HG3 PRO 9 HG3 PRO 9 -0.883 15.551 -4.681 82 HD2 PRO 9 HD2 PRO 9 -0.669 14.825 -7.281 83 HD3 PRO 9 HD3 PRO 9 -0.719 16.523 -6.764 84 H GLY 10 H GLY 10 1.669 13.508 -7.144 85 HA2 GLY 10 HA2 GLY 10 3.676 11.952 -5.779 86 HA3 GLY 10 HA3 GLY 10 2.583 11.382 -7.031 87 H HIS 11 H HIS 11 5.754 12.177 -6.298 88 HA HIS 11 HA HIS 11 6.456 12.430 -9.147 89 HB2 HIS 11 HB2 HIS 11 7.993 13.286 -6.687 90 HB3 HIS 11 HB3 HIS 11 8.614 13.380 -8.333 91 HD1 HIS 11 HD1 HIS 11 5.191 14.422 -7.054 92 HD2 HIS 11 HD2 HIS 11 8.581 16.050 -8.821 93 HE1 HIS 11 HE1 HIS 11 4.614 16.824 -7.532 94 H GLN 12 H GLN 12 8.646 11.475 -9.684 95 HA GLN 12 HA GLN 12 9.770 9.414 -8.137 96 HB2 GLN 12 HB2 GLN 12 7.362 8.621 -9.185 97 HB3 GLN 12 HB3 GLN 12 8.496 8.055 -10.405 98 HG2 GLN 12 HG2 GLN 12 8.194 6.271 -8.904 99 HG3 GLN 12 HG3 GLN 12 9.778 6.955 -8.542 100 HE21 GLN 12 HE21 GLN 12 10.203 7.294 -6.487 101 HE22 GLN 12 HE22 GLN 12 9.041 7.494 -5.224 102 H LYS 13 H LYS 13 9.023 10.394 -11.465 103 HA LYS 13 HA LYS 13 11.335 9.329 -12.659 104 HB2 LYS 13 HB2 LYS 13 9.551 11.627 -13.466 105 HB3 LYS 13 HB3 LYS 13 10.856 11.018 -14.475 106 HG2 LYS 13 HG2 LYS 13 9.563 9.403 -15.261 107 HG3 LYS 13 HG3 LYS 13 9.192 8.846 -13.628 108 HD2 LYS 13 HD2 LYS 13 7.144 9.431 -14.772 109 HD3 LYS 13 HD3 LYS 13 7.443 10.584 -13.468 110 HE2 LYS 13 HE2 LYS 13 7.460 12.281 -14.902 111 HE3 LYS 13 HE3 LYS 13 8.686 11.492 -15.892 112 HZ1 LYS 13 HZ1 LYS 13 6.923 11.691 -17.335 113 HZ2 LYS 13 HZ2 LYS 13 5.756 11.394 -16.149 114 HZ3 LYS 13 HZ3 LYS 13 6.693 10.121 -16.749 115 H ARG 14 H ARG 14 10.642 12.581 -11.406 116 HA ARG 14 HA ARG 14 13.211 13.629 -12.034 117 HB2 ARG 14 HB2 ARG 14 11.048 14.929 -11.612 118 HB3 ARG 14 HB3 ARG 14 11.367 14.687 -9.899 119 HG2 ARG 14 HG2 ARG 14 13.488 15.863 -10.112 120 HG3 ARG 14 HG3 ARG 14 13.197 16.084 -11.839 121 HD2 ARG 14 HD2 ARG 14 12.203 18.006 -11.318 122 HD3 ARG 14 HD3 ARG 14 10.894 17.045 -10.629 123 HE ARG 14 HE ARG 14 12.707 17.205 -8.615 124 HH11 ARG 14 HH11 ARG 14 11.124 20.792 -9.419 125 HH12 ARG 14 HH12 ARG 14 11.112 19.554 -10.630 126 HH21 ARG 14 HH21 ARG 14 12.046 20.380 -7.363 127 HH22 ARG 14 HH22 ARG 14 12.730 18.828 -7.012 128 HN MK8 15 HNA MK8 15 12.233 11.381 -9.604 129 HB MK8 15 HB MK8 15 12.189 10.116 -7.273 130 HBA MK8 15 HBA MK8 15 13.254 9.294 -8.395 131 HD MK8 15 HD MK8 15 14.387 7.364 -7.130 132 HDA MK8 15 HDA MK8 15 15.515 8.517 -7.785 133 HE MK8 15 HE MK8 15 15.641 7.088 -5.106 134 HG MK8 15 HG MK8 15 14.654 10.127 -5.896 135 HGA MK8 15 HGA MK8 15 13.357 8.981 -5.673 136 HB1 MK8 15 HB1 MK8 15 12.535 12.533 -6.678 137 HB1A MK8 15 HB1A MK8 15 14.114 12.137 -6.035 138 HB1B MK8 15 HB1B MK8 15 13.951 13.413 -7.223 139 H ALA 16 H ALA 16 14.467 10.144 -10.123 140 HA ALA 16 HA ALA 16 17.119 9.557 -9.826 141 HB1 ALA 16 HB1 ALA 16 15.545 10.164 -12.313 142 HB2 ALA 16 HB2 ALA 16 17.220 9.613 -12.361 143 HB3 ALA 16 HB3 ALA 16 15.975 8.591 -11.643 144 H TYR 17 H TYR 17 15.703 12.595 -10.887 145 HA TYR 17 HA TYR 17 18.143 13.796 -11.720 146 HB2 TYR 17 HB2 TYR 17 15.711 14.479 -12.287 147 HB3 TYR 17 HB3 TYR 17 15.753 15.346 -10.757 148 HD1 TYR 17 HD1 TYR 17 16.220 15.691 -14.177 149 HD2 TYR 17 HD2 TYR 17 17.980 16.841 -10.479 150 HE1 TYR 17 HE1 TYR 17 17.305 17.594 -15.294 151 HE2 TYR 17 HE2 TYR 17 19.069 18.750 -11.584 152 HH TYR 17 HH TYR 17 18.441 19.511 -14.975 153 H SER 18 H SER 18 16.287 13.842 -8.710 154 HA SER 18 HA SER 18 17.802 15.764 -7.345 155 HB2 SER 18 HB2 SER 18 16.719 15.023 -5.369 156 HB3 SER 18 HB3 SER 18 15.557 14.742 -6.666 157 HG SER 18 HG SER 18 17.043 12.907 -5.167 158 HN MK8 19 HNA MK8 19 18.193 12.224 -7.620 159 HB MK8 19 HB MK8 19 19.458 10.421 -8.469 160 HBA MK8 19 HBA MK8 19 20.974 9.982 -7.754 161 HD MK8 19 HD MK8 19 17.669 10.486 -5.887 162 HDA MK8 19 HDA MK8 19 17.338 9.591 -7.374 163 HE MK8 19 HE MK8 19 17.761 8.081 -4.728 164 HG MK8 19 HG MK8 19 19.416 8.326 -7.133 165 HGA MK8 19 HGA MK8 19 19.828 9.185 -5.674 166 HB1 MK8 19 HB1 MK8 19 20.785 12.698 -5.027 167 HB1A MK8 19 HB1A MK8 19 19.684 11.354 -4.844 168 HB1B MK8 19 HB1B MK8 19 21.382 11.063 -5.266 169 H LEU 20 H LEU 20 20.111 12.661 -9.244 170 HA LEU 20 HA LEU 20 22.701 12.862 -10.165 171 HB2 LEU 20 HB2 LEU 20 20.286 13.253 -11.260 172 HB3 LEU 20 HB3 LEU 20 20.808 14.931 -11.108 173 HG LEU 20 HG LEU 20 21.305 14.118 -13.322 174 HD11 LEU 20 HD11 LEU 20 23.753 14.487 -13.362 175 HD12 LEU 20 HD12 LEU 20 23.762 14.402 -11.601 176 HD13 LEU 20 HD13 LEU 20 22.879 15.693 -12.417 177 HD21 LEU 20 HD21 LEU 20 23.056 12.020 -12.059 178 HD22 LEU 20 HD22 LEU 20 22.682 12.230 -13.770 179 HD23 LEU 20 HD23 LEU 20 21.424 11.705 -12.651 180 H GLY 21 H GLY 21 20.707 15.485 -8.798 181 HA2 GLY 21 HA2 GLY 21 22.838 17.388 -8.854 182 HA3 GLY 21 HA3 GLY 21 21.302 17.570 -8.018 183 H LEU 22 H LEU 22 22.370 14.732 -6.909 184 HA LEU 22 HA LEU 22 24.053 15.911 -4.805 185 HB2 LEU 22 HB2 LEU 22 21.442 15.174 -4.428 186 HB3 LEU 22 HB3 LEU 22 22.316 13.726 -3.931 187 HG LEU 22 HG LEU 22 21.900 15.033 -1.985 188 HD11 LEU 22 HD11 LEU 22 24.176 15.510 -1.209 189 HD12 LEU 22 HD12 LEU 22 24.761 15.391 -2.869 190 HD13 LEU 22 HD13 LEU 22 24.082 13.973 -2.069 191 HD21 LEU 22 HD21 LEU 22 22.463 17.332 -1.743 192 HD22 LEU 22 HD22 LEU 22 21.541 17.174 -3.238 193 HD23 LEU 22 HD23 LEU 22 23.295 17.357 -3.298 194 H LYS 23 H LYS 23 24.873 14.450 -7.120 195 HA LYS 23 HA LYS 23 26.003 12.064 -5.815 196 HB2 LYS 23 HB2 LYS 23 24.524 12.291 -8.329 197 HB3 LYS 23 HB3 LYS 23 26.075 11.482 -8.514 198 HG2 LYS 23 HG2 LYS 23 25.463 9.877 -6.794 199 HG3 LYS 23 HG3 LYS 23 23.923 10.705 -6.554 200 HD2 LYS 23 HD2 LYS 23 23.024 9.474 -8.171 201 HD3 LYS 23 HD3 LYS 23 24.174 10.159 -9.321 202 HE2 LYS 23 HE2 LYS 23 25.802 8.424 -8.686 203 HE3 LYS 23 HE3 LYS 23 24.612 7.728 -7.587 204 HZ1 LYS 23 HZ1 LYS 23 23.150 7.397 -9.536 205 HZ2 LYS 23 HZ2 LYS 23 24.589 6.511 -9.628 206 HZ3 LYS 23 HZ3 LYS 23 24.405 7.922 -10.542 207 H ASP 24 H ASP 24 26.426 14.583 -8.256 208 HA ASP 24 HA ASP 24 29.276 13.988 -8.446 209 HB2 ASP 24 HB2 ASP 24 27.511 14.760 -10.349 210 HB3 ASP 24 HB3 ASP 24 28.172 16.325 -9.884 211 H GLN 25 H GLN 25 27.094 16.269 -7.012 212 HA GLN 25 HA GLN 25 29.376 17.909 -6.130 213 HB2 GLN 25 HB2 GLN 25 27.363 18.908 -7.457 214 HB3 GLN 25 HB3 GLN 25 26.521 18.801 -5.917 215 HG2 GLN 25 HG2 GLN 25 28.140 20.241 -4.875 216 HG3 GLN 25 HG3 GLN 25 29.116 20.261 -6.343 217 HE21 GLN 25 HE21 GLN 25 28.512 22.632 -5.420 218 HE22 GLN 25 HE22 GLN 25 27.255 23.392 -6.331 219 H VAL 26 H VAL 26 28.390 15.356 -4.974 220 HA VAL 26 HA VAL 26 26.950 15.773 -2.610 221 HB VAL 26 HB VAL 26 27.383 13.540 -3.562 222 HG11 VAL 26 HG11 VAL 26 29.511 12.444 -3.277 223 HG12 VAL 26 HG12 VAL 26 29.750 13.947 -4.170 224 HG13 VAL 26 HG13 VAL 26 30.171 13.861 -2.459 225 HG21 VAL 26 HG21 VAL 26 28.573 13.398 -0.845 226 HG22 VAL 26 HG22 VAL 26 26.980 14.138 -1.011 227 HG23 VAL 26 HG23 VAL 26 27.241 12.478 -1.547 228 HN1 NH2 27 HN1 NH2 27 27.581 16.029 -0.445 229 HN2 NH2 27 HN2 NH2 27 29.118 16.695 -0.004 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 12.488 27.859 0.497 2 H2 ACE 1 H2 ACE 1 12.566 28.375 2.198 3 H3 ACE 1 H3 ACE 1 13.551 29.204 0.969 4 H LYS 2 H LYS 2 15.388 28.287 0.220 5 HA LYS 2 HA LYS 2 17.311 27.080 0.326 6 HB2 LYS 2 HB2 LYS 2 16.340 26.073 2.999 7 HB3 LYS 2 HB3 LYS 2 18.001 26.183 2.437 8 HG2 LYS 2 HG2 LYS 2 16.180 28.516 2.992 9 HG3 LYS 2 HG3 LYS 2 17.470 27.935 4.048 10 HD2 LYS 2 HD2 LYS 2 18.979 28.283 1.961 11 HD3 LYS 2 HD3 LYS 2 17.664 29.318 1.400 12 HE2 LYS 2 HE2 LYS 2 17.835 30.629 3.472 13 HE3 LYS 2 HE3 LYS 2 19.169 29.604 4.000 14 HZ1 LYS 2 HZ1 LYS 2 19.314 31.889 2.439 15 HZ2 LYS 2 HZ2 LYS 2 19.690 30.600 1.410 16 HZ3 LYS 2 HZ3 LYS 2 20.575 30.832 2.834 17 H ARG 3 H ARG 3 18.078 24.657 0.991 18 HA ARG 3 HA ARG 3 16.652 22.962 -0.785 19 HB2 ARG 3 HB2 ARG 3 18.815 22.280 1.216 20 HB3 ARG 3 HB3 ARG 3 18.258 21.232 -0.081 21 HG2 ARG 3 HG2 ARG 3 19.100 23.878 -0.986 22 HG3 ARG 3 HG3 ARG 3 20.382 22.933 -0.225 23 HD2 ARG 3 HD2 ARG 3 20.569 22.223 -2.396 24 HD3 ARG 3 HD3 ARG 3 19.446 21.022 -1.761 25 HE ARG 3 HE ARG 3 17.894 23.075 -2.751 26 HH11 ARG 3 HH11 ARG 3 19.569 20.800 -5.588 27 HH12 ARG 3 HH12 ARG 3 20.257 20.843 -3.998 28 HH21 ARG 3 HH21 ARG 3 17.704 22.043 -6.065 29 HH22 ARG 3 HH22 ARG 3 16.978 23.027 -4.840 30 H ILE 4 H ILE 4 17.303 22.552 2.702 31 HA ILE 4 HA ILE 4 15.209 20.599 2.955 32 HB ILE 4 HB ILE 4 16.812 21.976 5.114 33 HG12 ILE 4 HG12 ILE 4 17.744 19.428 5.002 34 HG13 ILE 4 HG13 ILE 4 17.363 19.700 3.306 35 HG21 ILE 4 HG21 ILE 4 14.741 19.854 5.136 36 HG22 ILE 4 HG22 ILE 4 16.118 19.660 6.220 37 HG23 ILE 4 HG23 ILE 4 15.104 21.099 6.332 38 HD11 ILE 4 HD11 ILE 4 19.006 21.237 3.042 39 HD12 ILE 4 HD12 ILE 4 18.905 21.799 4.712 40 HD13 ILE 4 HD13 ILE 4 19.723 20.282 4.340 41 H GLY 5 H GLY 5 13.128 21.098 3.089 42 HA2 GLY 5 HA2 GLY 5 12.140 22.990 4.974 43 HA3 GLY 5 HA3 GLY 5 12.044 23.632 3.340 44 H VAL 6 H VAL 6 10.432 22.977 2.015 45 HA VAL 6 HA VAL 6 8.122 21.837 3.078 46 HB VAL 6 HB VAL 6 7.361 21.580 0.724 47 HG11 VAL 6 HG11 VAL 6 7.784 24.080 0.142 48 HG12 VAL 6 HG12 VAL 6 6.850 23.665 1.580 49 HG13 VAL 6 HG13 VAL 6 8.544 24.134 1.731 50 HG21 VAL 6 HG21 VAL 6 10.090 22.646 0.009 51 HG22 VAL 6 HG22 VAL 6 9.579 20.972 -0.207 52 HG23 VAL 6 HG23 VAL 6 8.776 22.260 -1.103 53 H ARG 7 H ARG 7 7.251 19.808 3.081 54 HA ARG 7 HA ARG 7 9.093 17.624 2.397 55 HB2 ARG 7 HB2 ARG 7 8.011 18.014 4.766 56 HB3 ARG 7 HB3 ARG 7 6.625 17.217 4.035 57 HG2 ARG 7 HG2 ARG 7 9.322 15.955 3.847 58 HG3 ARG 7 HG3 ARG 7 8.388 15.829 5.341 59 HD2 ARG 7 HD2 ARG 7 6.500 14.911 4.031 60 HD3 ARG 7 HD3 ARG 7 7.515 14.954 2.590 61 HE ARG 7 HE ARG 7 8.842 13.504 4.591 62 HH11 ARG 7 HH11 ARG 7 6.090 11.529 2.458 63 HH12 ARG 7 HH12 ARG 7 6.059 13.261 2.512 64 HH21 ARG 7 HH21 ARG 7 7.700 10.372 3.605 65 HH22 ARG 7 HH22 ARG 7 8.892 11.224 4.527 66 H LEU 8 H LEU 8 8.668 16.399 0.689 67 HA LEU 8 HA LEU 8 5.953 16.461 -0.442 68 HB2 LEU 8 HB2 LEU 8 7.258 15.537 -2.497 69 HB3 LEU 8 HB3 LEU 8 7.283 17.260 -2.126 70 HG LEU 8 HG LEU 8 9.477 15.658 -0.970 71 HD11 LEU 8 HD11 LEU 8 9.287 16.191 -3.930 72 HD12 LEU 8 HD12 LEU 8 9.308 14.610 -3.150 73 HD13 LEU 8 HD13 LEU 8 10.732 15.648 -3.077 74 HD21 LEU 8 HD21 LEU 8 9.317 18.086 -0.702 75 HD22 LEU 8 HD22 LEU 8 9.363 18.283 -2.453 76 HD23 LEU 8 HD23 LEU 8 10.762 17.628 -1.602 77 HA PRO 9 HA PRO 9 5.367 12.162 0.211 78 HB2 PRO 9 HB2 PRO 9 4.057 11.416 -2.047 79 HB3 PRO 9 HB3 PRO 9 3.306 12.393 -0.780 80 HG2 PRO 9 HG2 PRO 9 4.509 13.261 -3.380 81 HG3 PRO 9 HG3 PRO 9 3.007 13.800 -2.609 82 HD2 PRO 9 HD2 PRO 9 5.300 15.237 -2.497 83 HD3 PRO 9 HD3 PRO 9 4.108 15.235 -1.181 84 H GLY 10 H GLY 10 7.168 13.248 -2.525 85 HA2 GLY 10 HA2 GLY 10 9.214 12.188 -3.146 86 HA3 GLY 10 HA3 GLY 10 8.549 10.656 -2.600 87 H HIS 11 H HIS 11 8.198 13.147 -5.098 88 HA HIS 11 HA HIS 11 6.609 11.533 -6.821 89 HB2 HIS 11 HB2 HIS 11 8.179 14.072 -7.218 90 HB3 HIS 11 HB3 HIS 11 7.353 13.281 -8.557 91 HD1 HIS 11 HD1 HIS 11 5.865 13.484 -5.110 92 HD2 HIS 11 HD2 HIS 11 5.414 15.236 -8.848 93 HE1 HIS 11 HE1 HIS 11 3.744 14.827 -4.970 94 H GLN 12 H GLN 12 7.176 10.364 -8.637 95 HA GLN 12 HA GLN 12 9.867 9.298 -8.618 96 HB2 GLN 12 HB2 GLN 12 7.582 8.581 -10.459 97 HB3 GLN 12 HB3 GLN 12 9.040 7.644 -10.166 98 HG2 GLN 12 HG2 GLN 12 8.157 7.733 -7.674 99 HG3 GLN 12 HG3 GLN 12 6.613 7.954 -8.497 100 HE21 GLN 12 HE21 GLN 12 6.839 6.391 -10.677 101 HE22 GLN 12 HE22 GLN 12 7.028 4.735 -10.223 102 H LYS 13 H LYS 13 10.503 8.689 -11.120 103 HA LYS 13 HA LYS 13 11.352 9.456 -13.091 104 HB2 LYS 13 HB2 LYS 13 8.901 10.907 -12.769 105 HB3 LYS 13 HB3 LYS 13 10.114 11.978 -13.457 106 HG2 LYS 13 HG2 LYS 13 10.229 10.826 -15.406 107 HG3 LYS 13 HG3 LYS 13 9.870 9.276 -14.640 108 HD2 LYS 13 HD2 LYS 13 7.688 11.249 -14.565 109 HD3 LYS 13 HD3 LYS 13 8.121 10.667 -16.176 110 HE2 LYS 13 HE2 LYS 13 7.766 8.700 -13.960 111 HE3 LYS 13 HE3 LYS 13 6.339 9.404 -14.720 112 HZ1 LYS 13 HZ1 LYS 13 8.510 8.098 -16.259 113 HZ2 LYS 13 HZ2 LYS 13 6.974 8.541 -16.811 114 HZ3 LYS 13 HZ3 LYS 13 7.141 7.267 -15.709 115 H ARG 14 H ARG 14 10.638 12.575 -11.545 116 HA ARG 14 HA ARG 14 13.240 13.586 -12.056 117 HB2 ARG 14 HB2 ARG 14 10.786 14.661 -11.317 118 HB3 ARG 14 HB3 ARG 14 11.815 14.958 -9.921 119 HG2 ARG 14 HG2 ARG 14 13.450 16.067 -11.366 120 HG3 ARG 14 HG3 ARG 14 12.406 15.778 -12.759 121 HD2 ARG 14 HD2 ARG 14 10.625 17.001 -11.257 122 HD3 ARG 14 HD3 ARG 14 12.060 17.661 -10.475 123 HE ARG 14 HE ARG 14 12.378 18.995 -12.299 124 HH11 ARG 14 HH11 ARG 14 9.936 17.000 -14.765 125 HH12 ARG 14 HH12 ARG 14 10.270 16.371 -13.186 126 HH21 ARG 14 HH21 ARG 14 10.892 18.969 -15.441 127 HH22 ARG 14 HH22 ARG 14 11.948 19.833 -14.376 128 HN MK8 15 HNA MK8 15 11.968 11.585 -9.490 129 HB MK8 15 HB MK8 15 12.029 10.089 -7.280 130 HBA MK8 15 HBA MK8 15 12.906 9.373 -8.602 131 HD MK8 15 HD MK8 15 14.450 7.419 -7.799 132 HDA MK8 15 HDA MK8 15 15.574 8.736 -8.017 133 HE MK8 15 HE MK8 15 15.355 7.121 -5.416 134 HG MK8 15 HG MK8 15 14.388 9.860 -5.966 135 HGA MK8 15 HGA MK8 15 13.225 8.566 -6.063 136 HB1 MK8 15 HB1 MK8 15 12.378 12.382 -6.516 137 HB1A MK8 15 HB1A MK8 15 14.029 12.023 -6.001 138 HB1B MK8 15 HB1B MK8 15 13.717 13.364 -7.096 139 H ALA 16 H ALA 16 14.331 10.263 -10.091 140 HA ALA 16 HA ALA 16 16.955 9.570 -9.680 141 HB1 ALA 16 HB1 ALA 16 17.170 9.314 -12.050 142 HB2 ALA 16 HB2 ALA 16 15.530 8.855 -11.591 143 HB3 ALA 16 HB3 ALA 16 15.829 10.423 -12.340 144 H TYR 17 H TYR 17 15.731 12.591 -11.089 145 HA TYR 17 HA TYR 17 18.187 13.756 -11.717 146 HB2 TYR 17 HB2 TYR 17 15.567 14.503 -11.964 147 HB3 TYR 17 HB3 TYR 17 16.139 15.624 -10.733 148 HD1 TYR 17 HD1 TYR 17 17.181 17.587 -11.394 149 HD2 TYR 17 HD2 TYR 17 17.074 14.303 -14.096 150 HE1 TYR 17 HE1 TYR 17 18.183 19.000 -13.141 151 HE2 TYR 17 HE2 TYR 17 18.076 15.705 -15.850 152 HH TYR 17 HH TYR 17 18.745 19.143 -15.297 153 H SER 18 H SER 18 16.273 13.948 -8.734 154 HA SER 18 HA SER 18 17.851 15.747 -7.324 155 HB2 SER 18 HB2 SER 18 15.570 14.538 -6.733 156 HB3 SER 18 HB3 SER 18 16.637 13.435 -5.866 157 HG SER 18 HG SER 18 17.261 15.049 -4.548 158 HN MK8 19 HNA MK8 19 18.282 12.259 -7.846 159 HB MK8 19 HB MK8 19 19.666 10.241 -8.514 160 HBA MK8 19 HBA MK8 19 20.771 9.696 -7.296 161 HD MK8 19 HD MK8 19 17.763 8.398 -8.141 162 HDA MK8 19 HDA MK8 19 19.056 7.632 -7.255 163 HE MK8 19 HE MK8 19 17.696 7.191 -5.318 164 HG MK8 19 HG MK8 19 19.009 9.528 -5.603 165 HGA MK8 19 HGA MK8 19 17.843 10.351 -6.618 166 HB1 MK8 19 HB1 MK8 19 21.308 10.952 -5.327 167 HB1A MK8 19 HB1A MK8 19 20.951 12.655 -5.177 168 HB1B MK8 19 HB1B MK8 19 19.676 11.509 -4.899 169 H LEU 20 H LEU 20 20.214 12.696 -9.365 170 HA LEU 20 HA LEU 20 22.826 12.950 -10.194 171 HB2 LEU 20 HB2 LEU 20 20.507 13.309 -11.403 172 HB3 LEU 20 HB3 LEU 20 20.864 15.005 -11.079 173 HG LEU 20 HG LEU 20 21.599 14.590 -13.278 174 HD11 LEU 20 HD11 LEU 20 24.148 14.247 -11.746 175 HD12 LEU 20 HD12 LEU 20 23.201 15.730 -11.618 176 HD13 LEU 20 HD13 LEU 20 23.833 15.218 -13.184 177 HD21 LEU 20 HD21 LEU 20 21.824 11.973 -12.510 178 HD22 LEU 20 HD22 LEU 20 23.507 12.446 -12.736 179 HD23 LEU 20 HD23 LEU 20 22.353 12.634 -14.056 180 H GLY 21 H GLY 21 20.778 15.551 -8.859 181 HA2 GLY 21 HA2 GLY 21 22.880 17.459 -8.769 182 HA3 GLY 21 HA3 GLY 21 21.337 17.584 -7.941 183 H LEU 22 H LEU 22 22.349 14.737 -6.893 184 HA LEU 22 HA LEU 22 24.016 15.848 -4.736 185 HB2 LEU 22 HB2 LEU 22 21.416 15.018 -4.444 186 HB3 LEU 22 HB3 LEU 22 22.330 13.588 -3.972 187 HG LEU 22 HG LEU 22 21.724 14.968 -2.044 188 HD11 LEU 22 HD11 LEU 22 23.839 14.957 -0.982 189 HD12 LEU 22 HD12 LEU 22 24.688 15.149 -2.516 190 HD13 LEU 22 HD13 LEU 22 23.857 13.637 -2.152 191 HD21 LEU 22 HD21 LEU 22 21.854 17.126 -3.429 192 HD22 LEU 22 HD22 LEU 22 23.579 17.094 -3.061 193 HD23 LEU 22 HD23 LEU 22 22.399 17.181 -1.754 194 H LYS 23 H LYS 23 24.874 14.488 -7.116 195 HA LYS 23 HA LYS 23 26.268 12.252 -5.847 196 HB2 LYS 23 HB2 LYS 23 24.319 11.332 -7.107 197 HB3 LYS 23 HB3 LYS 23 24.982 12.038 -8.576 198 HG2 LYS 23 HG2 LYS 23 26.322 10.302 -8.880 199 HG3 LYS 23 HG3 LYS 23 26.970 10.444 -7.245 200 HD2 LYS 23 HD2 LYS 23 26.020 8.378 -7.083 201 HD3 LYS 23 HD3 LYS 23 24.626 9.360 -6.629 202 HE2 LYS 23 HE2 LYS 23 23.699 9.190 -8.815 203 HE3 LYS 23 HE3 LYS 23 25.178 8.476 -9.455 204 HZ1 LYS 23 HZ1 LYS 23 24.484 6.466 -8.876 205 HZ2 LYS 23 HZ2 LYS 23 22.981 7.136 -8.484 206 HZ3 LYS 23 HZ3 LYS 23 24.161 6.949 -7.286 207 H ASP 24 H ASP 24 25.984 14.325 -8.710 208 HA ASP 24 HA ASP 24 28.613 13.841 -9.661 209 HB2 ASP 24 HB2 ASP 24 26.340 15.302 -10.514 210 HB3 ASP 24 HB3 ASP 24 27.688 16.435 -10.458 211 H GLN 25 H GLN 25 27.209 16.261 -7.520 212 HA GLN 25 HA GLN 25 29.526 17.894 -7.351 213 HB2 GLN 25 HB2 GLN 25 27.292 18.730 -6.782 214 HB3 GLN 25 HB3 GLN 25 27.210 17.612 -5.427 215 HG2 GLN 25 HG2 GLN 25 29.491 19.504 -5.534 216 HG3 GLN 25 HG3 GLN 25 27.900 20.140 -5.122 217 HE21 GLN 25 HE21 GLN 25 30.674 18.743 -3.936 218 HE22 GLN 25 HE22 GLN 25 30.090 18.253 -2.387 219 H VAL 26 H VAL 26 28.082 15.820 -4.830 220 HA VAL 26 HA VAL 26 30.281 15.817 -3.124 221 HB VAL 26 HB VAL 26 28.248 13.609 -3.472 222 HG11 VAL 26 HG11 VAL 26 30.404 14.120 -1.502 223 HG12 VAL 26 HG12 VAL 26 28.868 13.505 -0.887 224 HG13 VAL 26 HG13 VAL 26 29.758 12.594 -2.108 225 HG21 VAL 26 HG21 VAL 26 28.226 16.057 -1.712 226 HG22 VAL 26 HG22 VAL 26 27.144 15.717 -3.061 227 HG23 VAL 26 HG23 VAL 26 27.074 14.727 -1.603 228 HN1 NH2 27 HN1 NH2 27 29.283 13.185 -5.349 229 HN2 NH2 27 HN2 NH2 27 30.872 12.537 -5.579 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 -15.179 19.043 -18.397 2 H2 ACE 1 H2 ACE 1 -14.137 20.295 -17.677 3 H3 ACE 1 H3 ACE 1 -13.491 18.663 -17.980 4 H LYS 2 H LYS 2 -13.106 17.774 -16.121 5 HA LYS 2 HA LYS 2 -14.551 18.357 -13.737 6 HB2 LYS 2 HB2 LYS 2 -16.040 16.744 -15.147 7 HB3 LYS 2 HB3 LYS 2 -14.893 15.514 -14.634 8 HG2 LYS 2 HG2 LYS 2 -15.509 16.796 -12.284 9 HG3 LYS 2 HG3 LYS 2 -17.043 16.797 -13.157 10 HD2 LYS 2 HD2 LYS 2 -15.397 14.302 -12.980 11 HD3 LYS 2 HD3 LYS 2 -16.444 14.779 -11.641 12 HE2 LYS 2 HE2 LYS 2 -18.382 14.630 -12.970 13 HE3 LYS 2 HE3 LYS 2 -17.450 14.585 -14.465 14 HZ1 LYS 2 HZ1 LYS 2 -16.851 12.398 -14.126 15 HZ2 LYS 2 HZ2 LYS 2 -18.438 12.413 -13.543 16 HZ3 LYS 2 HZ3 LYS 2 -17.138 12.450 -12.459 17 H ARG 3 H ARG 3 -11.860 18.439 -14.419 18 HA ARG 3 HA ARG 3 -10.506 16.081 -13.507 19 HB2 ARG 3 HB2 ARG 3 -8.475 17.455 -13.657 20 HB3 ARG 3 HB3 ARG 3 -9.446 17.573 -15.119 21 HG2 ARG 3 HG2 ARG 3 -9.958 19.760 -14.770 22 HG3 ARG 3 HG3 ARG 3 -9.880 19.613 -13.014 23 HD2 ARG 3 HD2 ARG 3 -7.623 19.949 -12.948 24 HD3 ARG 3 HD3 ARG 3 -7.364 19.248 -14.545 25 HE ARG 3 HE ARG 3 -8.797 21.670 -14.769 26 HH11 ARG 3 HH11 ARG 3 -4.799 21.854 -14.650 27 HH12 ARG 3 HH12 ARG 3 -5.616 20.438 -14.075 28 HH21 ARG 3 HH21 ARG 3 -6.005 23.618 -15.475 29 HH22 ARG 3 HH22 ARG 3 -7.735 23.540 -15.528 30 H ILE 4 H ILE 4 -8.818 16.340 -11.706 31 HA ILE 4 HA ILE 4 -10.242 17.253 -9.332 32 HB ILE 4 HB ILE 4 -9.246 14.971 -9.402 33 HG12 ILE 4 HG12 ILE 4 -7.667 16.061 -7.230 34 HG13 ILE 4 HG13 ILE 4 -9.235 16.855 -7.327 35 HG21 ILE 4 HG21 ILE 4 -6.854 14.684 -9.222 36 HG22 ILE 4 HG22 ILE 4 -7.233 15.579 -10.691 37 HG23 ILE 4 HG23 ILE 4 -6.610 16.429 -9.277 38 HD11 ILE 4 HD11 ILE 4 -9.388 13.957 -7.570 39 HD12 ILE 4 HD12 ILE 4 -8.715 14.510 -6.038 40 HD13 ILE 4 HD13 ILE 4 -10.307 15.065 -6.553 41 H GLY 5 H GLY 5 -7.438 18.027 -11.248 42 HA2 GLY 5 HA2 GLY 5 -7.118 20.613 -10.501 43 HA3 GLY 5 HA3 GLY 5 -6.251 19.739 -9.248 44 H VAL 6 H VAL 6 -4.985 21.554 -10.925 45 HA VAL 6 HA VAL 6 -3.725 20.245 -13.129 46 HB VAL 6 HB VAL 6 -3.957 22.689 -13.052 47 HG11 VAL 6 HG11 VAL 6 -3.290 22.568 -10.467 48 HG12 VAL 6 HG12 VAL 6 -1.716 22.989 -11.144 49 HG13 VAL 6 HG13 VAL 6 -3.108 24.032 -11.433 50 HG21 VAL 6 HG21 VAL 6 -2.015 21.384 -14.204 51 HG22 VAL 6 HG22 VAL 6 -1.964 23.146 -14.120 52 HG23 VAL 6 HG23 VAL 6 -1.014 22.182 -12.988 53 H ARG 7 H ARG 7 -3.020 20.602 -9.731 54 HA ARG 7 HA ARG 7 -0.284 19.949 -9.784 55 HB2 ARG 7 HB2 ARG 7 -1.748 20.870 -7.849 56 HB3 ARG 7 HB3 ARG 7 -2.099 19.177 -7.521 57 HG2 ARG 7 HG2 ARG 7 -0.055 18.778 -6.673 58 HG3 ARG 7 HG3 ARG 7 0.750 19.838 -7.832 59 HD2 ARG 7 HD2 ARG 7 -0.550 21.688 -6.421 60 HD3 ARG 7 HD3 ARG 7 -0.413 20.450 -5.173 61 HE ARG 7 HE ARG 7 1.704 22.063 -6.255 62 HH11 ARG 7 HH11 ARG 7 2.493 18.865 -3.980 63 HH12 ARG 7 HH12 ARG 7 0.917 19.065 -4.669 64 HH21 ARG 7 HH21 ARG 7 4.123 20.429 -4.367 65 HH22 ARG 7 HH22 ARG 7 3.784 21.811 -5.352 66 H LEU 8 H LEU 8 0.501 18.163 -10.692 67 HA LEU 8 HA LEU 8 -1.011 15.723 -10.833 68 HB2 LEU 8 HB2 LEU 8 1.558 16.732 -11.878 69 HB3 LEU 8 HB3 LEU 8 1.457 14.991 -11.626 70 HG LEU 8 HG LEU 8 -0.840 15.460 -13.004 71 HD11 LEU 8 HD11 LEU 8 -0.528 17.025 -14.711 72 HD12 LEU 8 HD12 LEU 8 1.190 17.203 -14.359 73 HD13 LEU 8 HD13 LEU 8 -0.011 17.863 -13.249 74 HD21 LEU 8 HD21 LEU 8 0.618 13.675 -13.545 75 HD22 LEU 8 HD22 LEU 8 1.923 14.779 -13.979 76 HD23 LEU 8 HD23 LEU 8 0.485 14.670 -14.996 77 HA PRO 9 HA PRO 9 0.459 13.589 -7.293 78 HB2 PRO 9 HB2 PRO 9 0.833 11.071 -8.237 79 HB3 PRO 9 HB3 PRO 9 -0.769 11.776 -7.989 80 HG2 PRO 9 HG2 PRO 9 0.813 11.510 -10.516 81 HG3 PRO 9 HG3 PRO 9 -0.914 11.220 -10.242 82 HD2 PRO 9 HD2 PRO 9 0.021 13.499 -11.367 83 HD3 PRO 9 HD3 PRO 9 -1.435 13.462 -10.353 84 H GLY 10 H GLY 10 2.239 11.937 -6.596 85 HA2 GLY 10 HA2 GLY 10 4.769 13.046 -7.533 86 HA3 GLY 10 HA3 GLY 10 4.530 12.072 -6.091 87 H HIS 11 H HIS 11 5.777 12.088 -9.167 88 HA HIS 11 HA HIS 11 5.492 9.188 -9.515 89 HB2 HIS 11 HB2 HIS 11 6.173 11.445 -11.364 90 HB3 HIS 11 HB3 HIS 11 6.703 9.814 -11.759 91 HD1 HIS 11 HD1 HIS 11 3.576 11.853 -11.280 92 HD2 HIS 11 HD2 HIS 11 4.735 8.132 -12.721 93 HE1 HIS 11 HE1 HIS 11 1.537 10.902 -12.406 94 H GLN 12 H GLN 12 7.591 8.250 -10.637 95 HA GLN 12 HA GLN 12 9.859 9.009 -8.919 96 HB2 GLN 12 HB2 GLN 12 10.615 6.655 -9.170 97 HB3 GLN 12 HB3 GLN 12 9.064 6.805 -8.353 98 HG2 GLN 12 HG2 GLN 12 8.997 6.409 -11.280 99 HG3 GLN 12 HG3 GLN 12 9.522 5.044 -10.297 100 HE21 GLN 12 HE21 GLN 12 8.073 4.056 -8.916 101 HE22 GLN 12 HE22 GLN 12 6.371 4.338 -8.997 102 H LYS 13 H LYS 13 9.588 10.451 -11.191 103 HA LYS 13 HA LYS 13 11.496 9.258 -13.088 104 HB2 LYS 13 HB2 LYS 13 9.121 10.930 -13.408 105 HB3 LYS 13 HB3 LYS 13 10.514 11.544 -14.290 106 HG2 LYS 13 HG2 LYS 13 10.726 9.524 -15.524 107 HG3 LYS 13 HG3 LYS 13 9.542 8.706 -14.501 108 HD2 LYS 13 HD2 LYS 13 8.215 10.961 -15.447 109 HD3 LYS 13 HD3 LYS 13 9.135 10.371 -16.834 110 HE2 LYS 13 HE2 LYS 13 7.500 8.505 -15.150 111 HE3 LYS 13 HE3 LYS 13 6.758 9.451 -16.439 112 HZ1 LYS 13 HZ1 LYS 13 7.699 8.190 -18.016 113 HZ2 LYS 13 HZ2 LYS 13 7.867 7.042 -16.786 114 HZ3 LYS 13 HZ3 LYS 13 9.170 8.041 -17.192 115 H ARG 14 H ARG 14 10.654 12.391 -11.613 116 HA ARG 14 HA ARG 14 13.230 13.508 -12.246 117 HB2 ARG 14 HB2 ARG 14 10.731 14.554 -11.652 118 HB3 ARG 14 HB3 ARG 14 11.688 14.939 -10.228 119 HG2 ARG 14 HG2 ARG 14 13.352 16.041 -11.631 120 HG3 ARG 14 HG3 ARG 14 12.406 15.641 -13.067 121 HD2 ARG 14 HD2 ARG 14 10.637 16.895 -11.283 122 HD3 ARG 14 HD3 ARG 14 12.120 17.847 -11.253 123 HE ARG 14 HE ARG 14 10.247 17.641 -13.407 124 HH11 ARG 14 HH11 ARG 14 13.913 19.123 -14.038 125 HH12 ARG 14 HH12 ARG 14 13.586 18.210 -12.602 126 HH21 ARG 14 HH21 ARG 14 12.249 19.484 -15.571 127 HH22 ARG 14 HH22 ARG 14 10.664 18.842 -15.301 128 HN MK8 15 HNA MK8 15 11.937 11.602 -9.662 129 HB MK8 15 HB MK8 15 11.669 10.342 -7.787 130 HBA MK8 15 HBA MK8 15 12.991 9.447 -8.476 131 HD MK8 15 HD MK8 15 14.994 10.426 -5.711 132 HDA MK8 15 HDA MK8 15 14.543 8.926 -4.943 133 HE MK8 15 HE MK8 15 14.835 8.004 -7.560 134 HG MK8 15 HG MK8 15 12.568 10.263 -5.566 135 HGA MK8 15 HGA MK8 15 12.567 8.660 -6.246 136 HB1 MK8 15 HB1 MK8 15 12.201 12.734 -6.749 137 HB1A MK8 15 HB1A MK8 15 13.780 12.308 -6.089 138 HB1B MK8 15 HB1B MK8 15 13.648 13.579 -7.295 139 H ALA 16 H ALA 16 14.264 10.319 -10.059 140 HA ALA 16 HA ALA 16 16.868 9.620 -9.553 141 HB1 ALA 16 HB1 ALA 16 15.141 9.409 -11.707 142 HB2 ALA 16 HB2 ALA 16 16.523 10.297 -12.349 143 HB3 ALA 16 HB3 ALA 16 16.763 8.724 -11.587 144 H TYR 17 H TYR 17 15.656 12.656 -10.870 145 HA TYR 17 HA TYR 17 18.170 13.746 -11.575 146 HB2 TYR 17 HB2 TYR 17 15.548 14.502 -11.917 147 HB3 TYR 17 HB3 TYR 17 16.130 15.689 -10.756 148 HD1 TYR 17 HD1 TYR 17 17.116 17.612 -11.569 149 HD2 TYR 17 HD2 TYR 17 17.177 14.103 -13.975 150 HE1 TYR 17 HE1 TYR 17 18.166 18.886 -13.392 151 HE2 TYR 17 HE2 TYR 17 18.229 15.368 -15.804 152 HH TYR 17 HH TYR 17 19.798 17.937 -15.598 153 H SER 18 H SER 18 16.241 13.840 -8.626 154 HA SER 18 HA SER 18 17.736 15.769 -7.237 155 HB2 SER 18 HB2 SER 18 16.540 15.124 -5.322 156 HB3 SER 18 HB3 SER 18 15.446 14.714 -6.644 157 HG SER 18 HG SER 18 16.748 13.077 -4.858 158 HN MK8 19 HNA MK8 19 18.122 12.228 -7.523 159 HB MK8 19 HB MK8 19 19.311 10.329 -8.213 160 HBA MK8 19 HBA MK8 19 20.815 9.887 -7.469 161 HD MK8 19 HD MK8 19 17.390 9.277 -5.036 162 HDA MK8 19 HDA MK8 19 17.392 10.612 -6.164 163 HE MK8 19 HE MK8 19 17.208 8.123 -7.732 164 HG MK8 19 HG MK8 19 19.244 8.299 -6.738 165 HGA MK8 19 HGA MK8 19 19.635 9.253 -5.356 166 HB1 MK8 19 HB1 MK8 19 20.648 12.728 -4.842 167 HB1A MK8 19 HB1A MK8 19 19.503 11.430 -4.652 168 HB1B MK8 19 HB1B MK8 19 21.201 11.068 -5.011 169 H LEU 20 H LEU 20 20.046 12.623 -9.053 170 HA LEU 20 HA LEU 20 22.655 12.758 -9.925 171 HB2 LEU 20 HB2 LEU 20 20.317 13.156 -11.108 172 HB3 LEU 20 HB3 LEU 20 20.766 14.845 -10.878 173 HG LEU 20 HG LEU 20 21.437 14.288 -13.063 174 HD11 LEU 20 HD11 LEU 20 23.711 14.780 -13.037 175 HD12 LEU 20 HD12 LEU 20 23.991 13.873 -11.551 176 HD13 LEU 20 HD13 LEU 20 23.135 15.414 -11.495 177 HD21 LEU 20 HD21 LEU 20 21.729 11.682 -12.001 178 HD22 LEU 20 HD22 LEU 20 23.279 12.148 -12.703 179 HD23 LEU 20 HD23 LEU 20 21.815 12.195 -13.685 180 H GLY 21 H GLY 21 20.706 15.451 -8.631 181 HA2 GLY 21 HA2 GLY 21 22.743 17.383 -8.712 182 HA3 GLY 21 HA3 GLY 21 21.328 17.442 -7.674 183 H LEU 22 H LEU 22 22.406 14.675 -6.685 184 HA LEU 22 HA LEU 22 24.042 15.858 -4.568 185 HB2 LEU 22 HB2 LEU 22 22.016 14.532 -3.998 186 HB3 LEU 22 HB3 LEU 22 22.799 13.117 -4.699 187 HG LEU 22 HG LEU 22 24.656 13.922 -2.873 188 HD11 LEU 22 HD11 LEU 22 23.803 15.041 -1.150 189 HD12 LEU 22 HD12 LEU 22 22.362 14.026 -1.102 190 HD13 LEU 22 HD13 LEU 22 22.429 15.408 -2.195 191 HD21 LEU 22 HD21 LEU 22 23.973 11.650 -3.163 192 HD22 LEU 22 HD22 LEU 22 22.351 12.006 -2.570 193 HD23 LEU 22 HD23 LEU 22 23.729 12.079 -1.469 194 H LYS 23 H LYS 23 24.209 13.663 -7.236 195 HA LYS 23 HA LYS 23 26.620 12.348 -6.421 196 HB2 LYS 23 HB2 LYS 23 25.089 11.238 -7.944 197 HB3 LYS 23 HB3 LYS 23 25.260 12.540 -9.113 198 HG2 LYS 23 HG2 LYS 23 27.001 11.536 -10.033 199 HG3 LYS 23 HG3 LYS 23 27.845 11.508 -8.483 200 HD2 LYS 23 HD2 LYS 23 26.100 9.495 -8.101 201 HD3 LYS 23 HD3 LYS 23 26.304 9.390 -9.850 202 HE2 LYS 23 HE2 LYS 23 28.022 8.044 -9.185 203 HE3 LYS 23 HE3 LYS 23 28.858 9.596 -9.206 204 HZ1 LYS 23 HZ1 LYS 23 28.526 7.853 -7.055 205 HZ2 LYS 23 HZ2 LYS 23 27.649 9.254 -6.697 206 HZ3 LYS 23 HZ3 LYS 23 29.297 9.359 -7.064 207 H ASP 24 H ASP 24 25.835 14.961 -8.688 208 HA ASP 24 HA ASP 24 28.448 15.388 -9.637 209 HB2 ASP 24 HB2 ASP 24 27.629 17.367 -10.615 210 HB3 ASP 24 HB3 ASP 24 26.234 16.292 -10.572 211 H GLN 25 H GLN 25 26.818 16.415 -6.735 212 HA GLN 25 HA GLN 25 28.688 18.461 -6.040 213 HB2 GLN 25 HB2 GLN 25 26.219 17.992 -5.208 214 HB3 GLN 25 HB3 GLN 25 27.054 17.065 -3.968 215 HG2 GLN 25 HG2 GLN 25 28.244 18.999 -3.228 216 HG3 GLN 25 HG3 GLN 25 27.641 19.950 -4.582 217 HE21 GLN 25 HE21 GLN 25 25.175 19.988 -4.703 218 HE22 GLN 25 HE22 GLN 25 24.350 20.264 -3.210 219 H VAL 26 H VAL 26 28.167 15.120 -4.936 220 HA VAL 26 HA VAL 26 30.408 15.105 -3.181 221 HB VAL 26 HB VAL 26 28.941 12.765 -4.408 222 HG11 VAL 26 HG11 VAL 26 29.884 11.926 -1.995 223 HG12 VAL 26 HG12 VAL 26 30.674 11.625 -3.544 224 HG13 VAL 26 HG13 VAL 26 31.191 12.978 -2.538 225 HG21 VAL 26 HG21 VAL 26 28.556 13.935 -1.662 226 HG22 VAL 26 HG22 VAL 26 27.576 14.408 -3.051 227 HG23 VAL 26 HG23 VAL 26 27.559 12.736 -2.486 228 HN1 NH2 27 HN1 NH2 27 32.478 14.364 -3.456 229 HN2 NH2 27 HN2 NH2 27 33.154 13.938 -4.993
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