![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
627135 |
5xek ![]() ![]() |
36072 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HN GLU 1 -13.098 2.369 1.370 2 HA GLU 1 HA GLU 1 -13.114 -0.117 -0.172 3 HB2 GLU 1 2HB GLU 1 -11.215 2.236 -0.225 4 HB3 GLU 1 3HB GLU 1 -11.089 0.820 -1.261 5 HG2 GLU 1 2HG GLU 1 -13.621 2.390 -1.235 6 HG3 GLU 1 3HG GLU 1 -12.226 3.002 -2.121 7 H GLU 2 HN GLU 2 -11.839 -1.819 0.275 8 HA GLU 2 HA GLU 2 -9.772 -1.507 2.344 9 HB2 GLU 2 2HB GLU 2 -11.651 -3.866 2.157 10 HB3 GLU 2 3HB GLU 2 -10.432 -3.580 3.390 11 HG2 GLU 2 2HG GLU 2 -12.293 -1.378 3.203 12 HG3 GLU 2 3HG GLU 2 -13.113 -2.908 3.512 13 H GLU 3 HN GLU 3 -8.843 -4.086 2.422 14 HA GLU 3 HA GLU 3 -7.404 -5.512 1.387 15 HB2 GLU 3 2HB GLU 3 -8.718 -5.023 -1.254 16 HB3 GLU 3 3HB GLU 3 -8.099 -6.523 -0.578 17 HG2 GLU 3 2HG GLU 3 -9.977 -6.812 0.794 18 HG3 GLU 3 3HG GLU 3 -10.503 -5.145 0.565 19 H CYS 4 HN CYS 4 -5.497 -5.540 0.148 20 HA CYS 4 HA CYS 4 -4.239 -3.064 -0.202 21 HB2 CYS 4 2HB CYS 4 -3.065 -5.226 0.186 22 HB3 CYS 4 3HB CYS 4 -3.459 -5.701 -1.463 23 H CYS 5 HN CYS 5 -3.834 -1.786 -1.956 24 HA CYS 5 HA CYS 5 -5.490 -2.301 -4.315 25 HB2 CYS 5 2HB CYS 5 -4.478 0.123 -2.952 26 HB3 CYS 5 3HB CYS 5 -4.542 0.205 -4.709 27 HG CYS 5 HG CYS 5 -7.322 -0.589 -4.708 28 H ILE 6 HN ILE 6 -2.888 -3.615 -3.780 29 HA ILE 6 HA ILE 6 -1.638 -2.948 -6.339 30 HB ILE 6 HB ILE 6 -0.251 -2.962 -3.679 31 HG12 ILE 6 2HG1 ILE 6 -0.160 -1.160 -6.107 32 HG13 ILE 6 3HG1 ILE 6 -0.922 -0.803 -4.561 33 HG21 ILE 6 1HG2 ILE 6 1.889 -2.954 -5.130 34 HG22 ILE 6 2HG2 ILE 6 1.114 -4.494 -4.761 35 HG23 ILE 6 3HG2 ILE 6 0.876 -3.743 -6.338 36 HD11 ILE 6 1HD1 ILE 6 1.545 -1.244 -3.691 37 HD12 ILE 6 2HD1 ILE 6 1.927 -0.733 -5.335 38 HD13 ILE 6 3HD1 ILE 6 1.009 0.331 -4.271 39 H CYS 7 HN CYS 7 -0.892 -5.079 -3.579 40 HA CYS 7 HA CYS 7 -0.694 -7.323 -5.454 41 HB2 CYS 7 2HB CYS 7 0.747 -8.364 -3.953 42 HB3 CYS 7 3HB CYS 7 1.146 -6.663 -3.734 43 H MET 8 HN MET 8 -3.009 -5.961 -3.637 44 HA MET 8 HA MET 8 -4.865 -6.679 -2.497 45 HB2 MET 8 2HB MET 8 -4.861 -8.972 -4.443 46 HB3 MET 8 3HB MET 8 -6.237 -8.099 -3.781 47 HG2 MET 8 2HG MET 8 -4.915 -6.110 -5.070 48 HG3 MET 8 3HG MET 8 -4.552 -7.495 -6.096 49 HE1 MET 8 1HE MET 8 -8.051 -4.947 -6.546 50 HE2 MET 8 2HE MET 8 -6.798 -4.725 -5.323 51 HE3 MET 8 3HE MET 8 -6.357 -4.833 -7.029 52 H ASP 9 HN ASP 9 -2.695 -7.469 -1.083 53 HA ASP 9 HA ASP 9 -2.141 -10.061 -0.535 54 HB2 ASP 9 2HB ASP 9 -1.659 -7.696 0.745 55 HB3 ASP 9 3HB ASP 9 -2.696 -8.516 1.910 56 H GLY 10 HN GLY 10 -5.142 -8.412 0.103 57 HA2 GLY 10 1HA GLY 10 -7.017 -10.153 0.096 58 HA3 GLY 10 2HA GLY 10 -6.166 -10.805 1.488 59 H ARG 11 HN ARG 11 -5.459 -8.000 2.324 60 HA ARG 11 HA ARG 11 -8.020 -6.827 2.993 61 HB2 ARG 11 2HB ARG 11 -7.678 -6.945 5.414 62 HB3 ARG 11 3HB ARG 11 -7.790 -8.553 4.714 63 HG2 ARG 11 2HG ARG 11 -5.103 -7.328 5.103 64 HG3 ARG 11 3HG ARG 11 -5.964 -7.992 6.494 65 HD2 ARG 11 2HD ARG 11 -6.217 -10.125 5.243 66 HD3 ARG 11 3HD ARG 11 -5.216 -9.446 3.961 67 HE ARG 11 HE ARG 11 -3.722 -9.172 6.236 68 HH11 ARG 11 1HH1 ARG 11 -5.239 -11.823 4.565 69 HH12 ARG 11 2HH1 ARG 11 -4.067 -12.990 5.080 70 HH21 ARG 11 1HH2 ARG 11 -2.172 -10.699 6.921 71 HH22 ARG 11 2HH2 ARG 11 -2.323 -12.349 6.422 72 H ALA 12 HN ALA 12 -7.842 -4.721 3.906 73 HA ALA 12 HA ALA 12 -5.291 -3.439 3.265 74 HB1 ALA 12 1HB ALA 12 -6.634 -1.324 3.446 75 HB2 ALA 12 2HB ALA 12 -7.137 -2.429 2.165 76 HB3 ALA 12 3HB ALA 12 -8.062 -2.336 3.664 77 H ASP 13 HN ASP 13 -3.908 -3.222 4.893 78 HA ASP 13 HA ASP 13 -4.821 -3.131 7.637 79 HB2 ASP 13 2HB ASP 13 -2.392 -3.825 6.280 80 HB3 ASP 13 3HB ASP 13 -2.042 -2.602 7.499 81 H LEU 14 HN LEU 14 -4.082 -0.898 5.183 82 HA LEU 14 HA LEU 14 -4.404 1.305 7.054 83 HB2 LEU 14 2HB LEU 14 -1.874 0.592 5.851 84 HB3 LEU 14 3HB LEU 14 -2.378 2.210 5.366 85 HG LEU 14 HG LEU 14 -2.291 1.383 8.253 86 HD11 LEU 14 1HD1 LEU 14 -0.051 2.742 6.777 87 HD12 LEU 14 2HD1 LEU 14 -0.075 1.013 7.123 88 HD13 LEU 14 3HD1 LEU 14 -0.068 2.177 8.448 89 HD21 LEU 14 1HD2 LEU 14 -1.940 4.099 7.015 90 HD22 LEU 14 2HD2 LEU 14 -2.293 3.699 8.696 91 HD23 LEU 14 3HD2 LEU 14 -3.520 3.450 7.453 92 H ILE 15 HN ILE 15 -6.316 1.877 6.105 93 HA ILE 15 HA ILE 15 -6.467 2.242 3.228 94 HB ILE 15 HB ILE 15 -8.581 2.880 5.284 95 HG12 ILE 15 2HG1 ILE 15 -9.235 0.510 3.917 96 HG13 ILE 15 3HG1 ILE 15 -7.553 0.329 4.404 97 HG21 ILE 15 1HG2 ILE 15 -8.961 3.930 3.140 98 HG22 ILE 15 2HG2 ILE 15 -8.720 2.392 2.313 99 HG23 ILE 15 3HG2 ILE 15 -10.113 2.615 3.371 100 HD11 ILE 15 1HD1 ILE 15 -8.258 0.947 6.723 101 HD12 ILE 15 2HD1 ILE 15 -9.929 0.847 6.166 102 HD13 ILE 15 3HD1 ILE 15 -8.897 -0.583 6.124 103 H LEU 16 HN LEU 16 -5.131 3.972 2.769 104 HA LEU 16 HA LEU 16 -4.878 6.357 4.130 105 HB2 LEU 16 2HB LEU 16 -4.585 5.585 1.265 106 HB3 LEU 16 3HB LEU 16 -4.490 7.288 1.709 107 HG LEU 16 HG LEU 16 -2.724 5.152 2.894 108 HD11 LEU 16 1HD1 LEU 16 -1.556 5.133 1.012 109 HD12 LEU 16 2HD1 LEU 16 -1.262 6.861 1.203 110 HD13 LEU 16 3HD1 LEU 16 -2.655 6.302 0.279 111 HD21 LEU 16 1HD2 LEU 16 -2.519 8.162 2.864 112 HD22 LEU 16 2HD2 LEU 16 -1.362 7.048 3.594 113 HD23 LEU 16 3HD2 LEU 16 -2.997 7.175 4.245 114 HA PRO 17 HA PRO 17 -8.574 8.664 3.616 115 HB2 PRO 17 2HB PRO 17 -7.624 11.186 3.293 116 HB3 PRO 17 3HB PRO 17 -7.580 10.333 4.841 117 HG2 PRO 17 2HG PRO 17 -5.404 10.702 2.819 118 HG3 PRO 17 3HG PRO 17 -5.322 10.827 4.585 119 HD2 PRO 17 2HD PRO 17 -4.494 8.628 3.241 120 HD3 PRO 17 3HD PRO 17 -5.200 8.543 4.868 121 H CYS 18 HN CYS 18 -6.542 8.080 1.083 122 HA CYS 18 HA CYS 18 -8.092 9.706 -0.812 123 HB2 CYS 18 2HB CYS 18 -5.692 10.039 -0.978 124 HB3 CYS 18 3HB CYS 18 -5.432 8.305 -1.138 125 H ALA 19 HN ALA 19 -8.211 6.750 0.519 126 HA ALA 19 HA ALA 19 -9.562 4.969 -0.041 127 HB1 ALA 19 1HB ALA 19 -10.409 6.763 -1.858 128 HB2 ALA 19 2HB ALA 19 -9.692 5.555 -2.926 129 HB3 ALA 19 3HB ALA 19 -10.967 5.091 -1.801 130 H HIS 20 HN HIS 20 -6.536 5.583 -0.782 131 HA HIS 20 HA HIS 20 -6.092 3.205 -2.444 132 HB2 HIS 20 2HB HIS 20 -4.490 5.666 -1.869 133 HB3 HIS 20 3HB HIS 20 -3.651 4.192 -2.344 134 HD2 HIS 20 2HD HIS 20 -5.854 3.284 -4.682 135 HE1 HIS 20 1HE HIS 20 -4.772 7.005 -6.409 136 HE2 HIS 20 2HE HIS 20 -5.914 4.791 -6.784 137 H SER 21 HN SER 21 -6.264 1.534 -0.998 138 HA SER 21 HA SER 21 -4.915 1.602 1.546 139 HB2 SER 21 2HB SER 21 -5.653 -1.050 0.988 140 HB3 SER 21 3HB SER 21 -6.533 0.111 1.980 141 HG SER 21 HG SER 21 -7.828 0.590 0.304 142 H PHE 22 HN PHE 22 -3.368 -0.087 2.192 143 HA PHE 22 HA PHE 22 -1.864 -1.445 0.159 144 HB2 PHE 22 2HB PHE 22 -0.503 0.793 1.672 145 HB3 PHE 22 3HB PHE 22 0.249 -0.288 0.503 146 HD1 PHE 22 1HD PHE 22 -1.730 2.696 0.984 147 HD2 PHE 22 2HD PHE 22 -0.357 -0.126 -1.892 148 HE1 PHE 22 1HE PHE 22 -2.289 4.270 -0.821 149 HE2 PHE 22 2HE PHE 22 -0.913 1.446 -3.702 150 HZ PHE 22 HZ PHE 22 -1.880 3.647 -3.168 151 H CYS 23 HN CYS 23 -1.808 -3.349 1.181 152 HA CYS 23 HA CYS 23 -1.890 -3.879 3.869 153 HB2 CYS 23 2HB CYS 23 -1.147 -6.083 3.372 154 HB3 CYS 23 3HB CYS 23 -2.041 -5.535 1.957 155 H GLN 24 HN GLN 24 -0.224 -4.677 5.343 156 HA GLN 24 HA GLN 24 1.810 -2.847 5.785 157 HB2 GLN 24 2HB GLN 24 1.260 -5.609 6.789 158 HB3 GLN 24 3HB GLN 24 2.795 -4.848 7.183 159 HG2 GLN 24 2HG GLN 24 0.498 -3.119 7.651 160 HG3 GLN 24 3HG GLN 24 0.469 -4.604 8.602 161 HE21 GLN 24 1HE2 GLN 24 1.427 -1.490 8.633 162 HE22 GLN 24 2HE2 GLN 24 2.720 -1.583 9.776 163 H LYS 25 HN LYS 25 2.129 -6.159 4.504 164 HA LYS 25 HA LYS 25 4.762 -6.407 4.060 165 HB2 LYS 25 2HB LYS 25 2.492 -7.632 3.044 166 HB3 LYS 25 3HB LYS 25 3.325 -7.057 1.605 167 HG2 LYS 25 2HG LYS 25 4.288 -8.993 3.679 168 HG3 LYS 25 3HG LYS 25 4.126 -9.224 1.936 169 HD2 LYS 25 2HD LYS 25 5.883 -7.328 1.768 170 HD3 LYS 25 3HD LYS 25 6.216 -7.709 3.459 171 HE2 LYS 25 2HE LYS 25 6.181 -9.827 1.329 172 HE3 LYS 25 3HE LYS 25 7.627 -8.879 1.674 173 HZ1 LYS 25 1HZ LYS 25 6.209 -10.771 3.446 174 HZ2 LYS 25 2HZ LYS 25 7.278 -9.616 4.065 175 HZ3 LYS 25 3HZ LYS 25 7.834 -10.785 2.975 176 H CYS 26 HN CYS 26 2.661 -4.973 1.554 177 HA CYS 26 HA CYS 26 4.729 -3.982 -0.039 178 HB2 CYS 26 2HB CYS 26 1.892 -2.980 0.280 179 HB3 CYS 26 3HB CYS 26 2.986 -2.480 -1.005 180 H ILE 27 HN ILE 27 2.877 -2.400 2.541 181 HA ILE 27 HA ILE 27 4.017 0.146 2.318 182 HB ILE 27 HB ILE 27 2.369 -1.257 4.250 183 HG12 ILE 27 2HG1 ILE 27 2.737 1.652 3.507 184 HG13 ILE 27 3HG1 ILE 27 1.543 0.542 2.842 185 HG21 ILE 27 1HG2 ILE 27 4.295 -0.965 5.713 186 HG22 ILE 27 2HG2 ILE 27 4.337 0.756 5.330 187 HG23 ILE 27 3HG2 ILE 27 2.965 0.082 6.210 188 HD11 ILE 27 1HD1 ILE 27 0.417 1.916 4.391 189 HD12 ILE 27 2HD1 ILE 27 0.607 0.342 5.165 190 HD13 ILE 27 3HD1 ILE 27 1.663 1.679 5.616 191 H ASP 28 HN ASP 28 5.325 -2.794 3.503 192 HA ASP 28 HA ASP 28 7.426 -1.454 5.022 193 HB2 ASP 28 2HB ASP 28 6.215 -4.066 5.057 194 HB3 ASP 28 3HB ASP 28 7.960 -4.220 4.864 195 H LYS 29 HN LYS 29 6.872 -2.120 1.865 196 HA LYS 29 HA LYS 29 9.710 -2.642 1.277 197 HB2 LYS 29 2HB LYS 29 7.512 -3.998 0.362 198 HB3 LYS 29 3HB LYS 29 7.794 -2.852 -0.943 199 HG2 LYS 29 2HG LYS 29 10.312 -3.857 -0.358 200 HG3 LYS 29 3HG LYS 29 9.239 -5.254 -0.249 201 HD2 LYS 29 2HD LYS 29 8.281 -4.446 -2.489 202 HD3 LYS 29 3HD LYS 29 9.724 -3.434 -2.587 203 HE2 LYS 29 2HE LYS 29 11.144 -5.389 -2.441 204 HE3 LYS 29 3HE LYS 29 9.737 -6.427 -2.216 205 HZ1 LYS 29 1HZ LYS 29 9.001 -5.937 -4.420 206 HZ2 LYS 29 2HZ LYS 29 10.618 -6.425 -4.509 207 HZ3 LYS 29 3HZ LYS 29 10.222 -4.786 -4.641 208 H TRP 30 HN TRP 30 7.135 -0.382 0.983 209 HA TRP 30 HA TRP 30 8.645 1.221 -0.956 210 HB2 TRP 30 2HB TRP 30 5.813 1.568 0.053 211 HB3 TRP 30 3HB TRP 30 6.587 2.543 -1.194 212 HD1 TRP 30 1HD TRP 30 4.248 -0.181 -0.935 213 HE1 TRP 30 1HE TRP 30 4.155 -1.582 -3.092 214 HE3 TRP 30 3HE TRP 30 8.539 1.476 -3.163 215 HZ2 TRP 30 2HZ TRP 30 5.697 -1.938 -5.429 216 HZ3 TRP 30 3HZ TRP 30 9.159 0.555 -5.359 217 HH2 TRP 30 2HH TRP 30 7.766 -1.117 -6.466 218 H SER 31 HN SER 31 9.279 3.325 -0.521 219 HA SER 31 HA SER 31 10.020 3.894 2.141 220 HB2 SER 31 2HB SER 31 10.293 5.190 -0.485 221 HB3 SER 31 3HB SER 31 10.230 6.315 0.871 222 HG SER 31 HG SER 31 12.243 4.707 0.090 223 H ASP 32 HN ASP 32 7.524 5.301 0.039 224 HA ASP 32 HA ASP 32 5.626 6.469 0.496 225 HB2 ASP 32 2HB ASP 32 4.552 5.013 1.846 226 HB3 ASP 32 3HB ASP 32 5.992 4.703 2.812 227 H ARG 33 HN ARG 33 6.029 8.588 0.352 228 HA ARG 33 HA ARG 33 6.886 9.980 2.793 229 HB2 ARG 33 2HB ARG 33 7.983 10.349 0.008 230 HB3 ARG 33 3HB ARG 33 8.150 11.576 1.257 231 HG2 ARG 33 2HG ARG 33 9.113 9.514 2.620 232 HG3 ARG 33 3HG ARG 33 9.475 8.941 0.991 233 HD2 ARG 33 2HD ARG 33 10.795 10.859 0.519 234 HD3 ARG 33 3HD ARG 33 10.237 11.681 1.974 235 HE ARG 33 HE ARG 33 11.776 10.497 3.206 236 HH11 ARG 33 1HH1 ARG 33 11.531 9.138 0.011 237 HH12 ARG 33 2HH1 ARG 33 12.910 8.107 0.201 238 HH21 ARG 33 1HH2 ARG 33 13.594 9.146 3.469 239 HH22 ARG 33 2HH2 ARG 33 14.083 8.112 2.169 240 H HIS 34 HN HIS 34 5.946 11.966 3.152 241 HA HIS 34 HA HIS 34 4.521 13.738 2.892 242 HB2 HIS 34 2HB HIS 34 5.323 13.268 0.302 243 HB3 HIS 34 3HB HIS 34 3.572 13.123 0.188 244 HD2 HIS 34 2HD HIS 34 5.779 15.828 2.078 245 HE1 HIS 34 1HE HIS 34 2.873 17.759 -0.334 246 HE2 HIS 34 2HE HIS 34 4.813 18.076 1.241 247 H ARG 35 HN ARG 35 3.785 10.930 3.605 248 HA ARG 35 HA ARG 35 1.932 9.593 3.878 249 HB2 ARG 35 2HB ARG 35 0.174 10.710 5.073 250 HB3 ARG 35 3HB ARG 35 1.703 11.445 5.537 251 HG2 ARG 35 2HG ARG 35 1.241 13.418 4.449 252 HG3 ARG 35 3HG ARG 35 0.103 12.659 3.335 253 HD2 ARG 35 2HD ARG 35 -1.324 12.230 5.440 254 HD3 ARG 35 3HD ARG 35 -0.298 13.446 6.199 255 HE ARG 35 HE ARG 35 -1.443 15.050 5.049 256 HH11 ARG 35 1HH1 ARG 35 -1.936 11.983 3.476 257 HH12 ARG 35 2HH1 ARG 35 -3.094 12.602 2.345 258 HH21 ARG 35 1HH2 ARG 35 -2.966 15.876 3.566 259 HH22 ARG 35 2HH2 ARG 35 -3.678 14.817 2.397 260 H ASN 36 HN ASN 36 2.335 10.423 1.128 261 HA ASN 36 HA ASN 36 -0.433 10.670 0.171 262 HB2 ASN 36 2HB ASN 36 0.425 11.510 -1.878 263 HB3 ASN 36 3HB ASN 36 1.345 12.313 -0.610 264 HD21 ASN 36 1HD2 ASN 36 2.361 12.306 -3.084 265 HD22 ASN 36 2HD2 ASN 36 3.716 11.237 -3.192 266 H CYS 37 HN CYS 37 -0.337 9.611 -2.287 267 HA CYS 37 HA CYS 37 0.362 6.789 -1.806 268 HB2 CYS 37 2HB CYS 37 -1.528 6.833 -3.853 269 HB3 CYS 37 3HB CYS 37 -1.811 6.381 -2.176 270 HA PRO 38 HA PRO 38 3.058 6.969 -5.279 271 HB2 PRO 38 2HB PRO 38 3.089 4.337 -5.943 272 HB3 PRO 38 3HB PRO 38 3.921 4.978 -4.522 273 HG2 PRO 38 2HG PRO 38 1.267 3.607 -4.704 274 HG3 PRO 38 3HG PRO 38 2.559 3.388 -3.510 275 HD2 PRO 38 2HD PRO 38 0.356 4.879 -3.013 276 HD3 PRO 38 3HD PRO 38 1.943 5.257 -2.312 277 H ILE 39 HN ILE 39 -0.136 5.577 -5.539 278 HA ILE 39 HA ILE 39 -0.090 5.358 -8.405 279 HB ILE 39 HB ILE 39 -2.575 5.410 -6.710 280 HG12 ILE 39 2HG1 ILE 39 -0.390 3.444 -6.734 281 HG13 ILE 39 3HG1 ILE 39 -1.664 3.698 -5.547 282 HG21 ILE 39 1HG2 ILE 39 -2.558 5.398 -9.286 283 HG22 ILE 39 2HG2 ILE 39 -2.042 3.720 -9.125 284 HG23 ILE 39 3HG2 ILE 39 -3.586 4.236 -8.447 285 HD11 ILE 39 1HD1 ILE 39 -1.647 1.967 -7.967 286 HD12 ILE 39 2HD1 ILE 39 -2.156 1.600 -6.319 287 HD13 ILE 39 3HD1 ILE 39 -3.177 2.595 -7.356 288 H CYS 40 HN CYS 40 -0.656 7.864 -6.153 289 HA CYS 40 HA CYS 40 -2.129 9.473 -8.110 290 HB2 CYS 40 2HB CYS 40 -1.706 9.663 -5.148 291 HB3 CYS 40 3HB CYS 40 -2.150 11.102 -6.059 292 H ARG 41 HN ARG 41 0.643 9.833 -5.893 293 HA ARG 41 HA ARG 41 1.651 12.222 -6.738 294 HB2 ARG 41 2HB ARG 41 3.652 11.639 -5.726 295 HB3 ARG 41 3HB ARG 41 2.521 10.540 -4.950 296 HG2 ARG 41 2HG ARG 41 4.196 9.087 -5.449 297 HG3 ARG 41 3HG ARG 41 3.238 8.951 -6.925 298 HD2 ARG 41 2HD ARG 41 5.140 9.415 -8.002 299 HD3 ARG 41 3HD ARG 41 4.882 11.076 -7.471 300 HE ARG 41 HE ARG 41 6.219 9.769 -5.423 301 HH11 ARG 41 1HH1 ARG 41 6.790 10.637 -8.746 302 HH12 ARG 41 2HH1 ARG 41 8.506 10.773 -8.551 303 HH21 ARG 41 1HH2 ARG 41 8.477 9.946 -5.154 304 HH22 ARG 41 2HH2 ARG 41 9.464 10.380 -6.509 305 H LEU 42 HN LEU 42 1.767 9.158 -8.403 306 HA LEU 42 HA LEU 42 3.582 10.187 -10.435 307 HB2 LEU 42 2HB LEU 42 4.141 8.060 -10.664 308 HB3 LEU 42 3HB LEU 42 2.969 7.638 -9.416 309 HG LEU 42 HG LEU 42 1.253 7.505 -11.291 310 HD11 LEU 42 1HD1 LEU 42 1.870 8.115 -13.328 311 HD12 LEU 42 2HD1 LEU 42 3.026 6.784 -13.355 312 HD13 LEU 42 3HD1 LEU 42 3.528 8.375 -12.785 313 HD21 LEU 42 1HD2 LEU 42 2.899 5.639 -10.179 314 HD22 LEU 42 2HD2 LEU 42 3.206 5.412 -11.901 315 HD23 LEU 42 3HD2 LEU 42 1.562 5.286 -11.274 Start of MODEL 2 1 H1 GLU 1 HN GLU 1 -15.740 -4.411 5.137 2 HA GLU 1 HA GLU 1 -13.186 -3.510 5.220 3 HB2 GLU 1 2HB GLU 1 -12.533 -5.962 4.678 4 HB3 GLU 1 3HB GLU 1 -13.487 -5.632 6.118 5 HG2 GLU 1 2HG GLU 1 -15.453 -6.444 5.142 6 HG3 GLU 1 3HG GLU 1 -14.771 -6.388 3.518 7 H GLU 2 HN GLU 2 -11.325 -3.730 3.856 8 HA GLU 2 HA GLU 2 -11.898 -3.973 0.988 9 HB2 GLU 2 2HB GLU 2 -9.925 -1.903 1.727 10 HB3 GLU 2 3HB GLU 2 -11.123 -1.912 0.440 11 HG2 GLU 2 2HG GLU 2 -11.923 -0.245 1.784 12 HG3 GLU 2 3HG GLU 2 -12.819 -1.633 2.397 13 H GLU 3 HN GLU 3 -9.745 -3.969 -0.277 14 HA GLU 3 HA GLU 3 -7.695 -5.434 1.246 15 HB2 GLU 3 2HB GLU 3 -8.389 -6.134 -1.595 16 HB3 GLU 3 3HB GLU 3 -7.475 -7.077 -0.426 17 HG2 GLU 3 2HG GLU 3 -9.316 -7.966 0.502 18 HG3 GLU 3 3HG GLU 3 -10.249 -6.480 0.336 19 H CYS 4 HN CYS 4 -5.553 -5.266 0.457 20 HA CYS 4 HA CYS 4 -4.668 -2.788 -0.267 21 HB2 CYS 4 2HB CYS 4 -3.245 -4.680 0.536 22 HB3 CYS 4 3HB CYS 4 -3.326 -5.373 -1.080 23 H CYS 5 HN CYS 5 -3.823 -1.885 -2.220 24 HA CYS 5 HA CYS 5 -5.370 -2.699 -4.567 25 HB2 CYS 5 2HB CYS 5 -5.652 -0.389 -4.018 26 HB3 CYS 5 3HB CYS 5 -3.914 -0.148 -3.870 27 HG CYS 5 HG CYS 5 -4.024 -1.111 -6.832 28 H ILE 6 HN ILE 6 -2.051 -1.941 -3.588 29 HA ILE 6 HA ILE 6 -0.876 -2.452 -6.114 30 HB ILE 6 HB ILE 6 0.437 -2.637 -3.401 31 HG12 ILE 6 2HG1 ILE 6 0.266 -0.264 -5.270 32 HG13 ILE 6 3HG1 ILE 6 -0.717 -0.463 -3.822 33 HG21 ILE 6 1HG2 ILE 6 2.505 -2.388 -4.513 34 HG22 ILE 6 2HG2 ILE 6 1.622 -3.627 -5.406 35 HG23 ILE 6 3HG2 ILE 6 1.721 -1.984 -6.039 36 HD11 ILE 6 1HD1 ILE 6 1.092 1.001 -3.317 37 HD12 ILE 6 2HD1 ILE 6 1.383 -0.531 -2.494 38 HD13 ILE 6 3HD1 ILE 6 2.268 -0.141 -3.968 39 H CYS 7 HN CYS 7 -0.865 -4.410 -3.129 40 HA CYS 7 HA CYS 7 0.135 -6.721 -4.503 41 HB2 CYS 7 2HB CYS 7 -1.119 -6.718 -1.764 42 HB3 CYS 7 3HB CYS 7 0.116 -7.800 -2.397 43 H MET 8 HN MET 8 -3.002 -5.584 -3.400 44 HA MET 8 HA MET 8 -5.091 -6.549 -3.495 45 HB2 MET 8 2HB MET 8 -4.078 -5.906 -5.998 46 HB3 MET 8 3HB MET 8 -4.740 -7.519 -6.219 47 HG2 MET 8 2HG MET 8 -6.848 -6.613 -5.098 48 HG3 MET 8 3HG MET 8 -6.152 -5.018 -5.373 49 HE1 MET 8 1HE MET 8 -8.273 -4.451 -8.376 50 HE2 MET 8 2HE MET 8 -8.417 -4.494 -6.619 51 HE3 MET 8 3HE MET 8 -7.038 -3.691 -7.372 52 H ASP 9 HN ASP 9 -3.397 -8.341 -2.278 53 HA ASP 9 HA ASP 9 -4.402 -10.903 -3.317 54 HB2 ASP 9 2HB ASP 9 -1.641 -10.257 -2.294 55 HB3 ASP 9 3HB ASP 9 -2.257 -11.907 -2.349 56 H GLY 10 HN GLY 10 -3.096 -9.216 -0.471 57 HA2 GLY 10 1HA GLY 10 -4.344 -11.151 1.308 58 HA3 GLY 10 2HA GLY 10 -3.323 -9.802 1.784 59 H ARG 11 HN ARG 11 -4.246 -7.927 2.430 60 HA ARG 11 HA ARG 11 -6.998 -7.319 1.813 61 HB2 ARG 11 2HB ARG 11 -7.843 -7.338 4.050 62 HB3 ARG 11 3HB ARG 11 -7.124 -8.913 3.744 63 HG2 ARG 11 2HG ARG 11 -6.309 -8.478 5.830 64 HG3 ARG 11 3HG ARG 11 -5.011 -7.812 4.837 65 HD2 ARG 11 2HD ARG 11 -5.448 -5.693 5.461 66 HD3 ARG 11 3HD ARG 11 -7.194 -5.943 5.446 67 HE ARG 11 HE ARG 11 -5.544 -5.954 7.714 68 HH11 ARG 11 1HH1 ARG 11 -8.154 -7.773 6.300 69 HH12 ARG 11 2HH1 ARG 11 -8.773 -8.318 7.824 70 HH21 ARG 11 1HH2 ARG 11 -6.350 -6.663 9.726 71 HH22 ARG 11 2HH2 ARG 11 -7.747 -7.686 9.772 72 H ALA 12 HN ALA 12 -7.588 -5.362 3.516 73 HA ALA 12 HA ALA 12 -5.371 -3.453 3.175 74 HB1 ALA 12 1HB ALA 12 -7.270 -2.845 1.841 75 HB2 ALA 12 2HB ALA 12 -8.347 -2.981 3.231 76 HB3 ALA 12 3HB ALA 12 -7.132 -1.703 3.179 77 H ASP 13 HN ASP 13 -4.333 -3.067 5.014 78 HA ASP 13 HA ASP 13 -5.820 -3.152 7.544 79 HB2 ASP 13 2HB ASP 13 -3.626 -4.492 7.067 80 HB3 ASP 13 3HB ASP 13 -2.833 -2.948 7.372 81 H LEU 14 HN LEU 14 -4.475 -0.990 5.316 82 HA LEU 14 HA LEU 14 -4.946 1.230 7.143 83 HB2 LEU 14 2HB LEU 14 -2.454 0.460 7.056 84 HB3 LEU 14 3HB LEU 14 -2.452 1.283 5.498 85 HG LEU 14 HG LEU 14 -3.228 2.634 8.076 86 HD11 LEU 14 1HD1 LEU 14 -0.688 1.708 7.416 87 HD12 LEU 14 2HD1 LEU 14 -1.097 2.920 8.631 88 HD13 LEU 14 3HD1 LEU 14 -0.673 3.420 6.994 89 HD21 LEU 14 1HD2 LEU 14 -2.390 4.597 6.525 90 HD22 LEU 14 2HD2 LEU 14 -4.045 3.994 6.433 91 HD23 LEU 14 3HD2 LEU 14 -2.848 3.470 5.248 92 H ILE 15 HN ILE 15 -6.260 2.588 6.137 93 HA ILE 15 HA ILE 15 -6.197 2.708 3.200 94 HB ILE 15 HB ILE 15 -8.404 3.597 5.061 95 HG12 ILE 15 2HG1 ILE 15 -9.120 1.414 3.348 96 HG13 ILE 15 3HG1 ILE 15 -7.658 0.988 4.232 97 HG21 ILE 15 1HG2 ILE 15 -8.227 3.409 2.060 98 HG22 ILE 15 2HG2 ILE 15 -9.738 3.621 2.943 99 HG23 ILE 15 3HG2 ILE 15 -8.483 4.856 3.036 100 HD11 ILE 15 1HD1 ILE 15 -8.730 0.867 6.203 101 HD12 ILE 15 2HD1 ILE 15 -9.814 2.206 5.822 102 HD13 ILE 15 3HD1 ILE 15 -10.134 0.599 5.170 103 H LEU 16 HN LEU 16 -4.728 4.266 2.724 104 HA LEU 16 HA LEU 16 -4.056 6.532 4.090 105 HB2 LEU 16 2HB LEU 16 -4.100 5.835 1.199 106 HB3 LEU 16 3HB LEU 16 -3.768 7.506 1.653 107 HG LEU 16 HG LEU 16 -2.179 5.170 2.698 108 HD11 LEU 16 1HD1 LEU 16 -1.205 4.973 0.718 109 HD12 LEU 16 2HD1 LEU 16 -0.668 6.647 0.846 110 HD13 LEU 16 3HD1 LEU 16 -2.200 6.272 0.059 111 HD21 LEU 16 1HD2 LEU 16 -0.579 6.828 3.334 112 HD22 LEU 16 2HD2 LEU 16 -2.151 7.323 3.961 113 HD23 LEU 16 3HD2 LEU 16 -1.491 8.099 2.520 114 HA PRO 17 HA PRO 17 -7.370 9.407 3.979 115 HB2 PRO 17 2HB PRO 17 -6.079 11.764 3.590 116 HB3 PRO 17 3HB PRO 17 -6.010 10.870 5.114 117 HG2 PRO 17 2HG PRO 17 -4.020 10.961 2.879 118 HG3 PRO 17 3HG PRO 17 -3.740 11.022 4.629 119 HD2 PRO 17 2HD PRO 17 -3.401 8.761 3.178 120 HD3 PRO 17 3HD PRO 17 -3.943 8.739 4.868 121 H CYS 18 HN CYS 18 -5.735 8.578 1.243 122 HA CYS 18 HA CYS 18 -7.151 10.501 -0.467 123 HB2 CYS 18 2HB CYS 18 -5.641 9.827 -2.245 124 HB3 CYS 18 3HB CYS 18 -4.710 10.264 -0.815 125 H ALA 19 HN ALA 19 -7.658 7.558 0.851 126 HA ALA 19 HA ALA 19 -9.382 6.080 0.455 127 HB1 ALA 19 1HB ALA 19 -10.081 8.083 -1.230 128 HB2 ALA 19 2HB ALA 19 -9.809 6.763 -2.369 129 HB3 ALA 19 3HB ALA 19 -10.971 6.569 -1.056 130 H HIS 20 HN HIS 20 -6.776 5.332 0.275 131 HA HIS 20 HA HIS 20 -6.917 3.214 -1.727 132 HB2 HIS 20 2HB HIS 20 -4.717 5.253 -1.527 133 HB3 HIS 20 3HB HIS 20 -4.407 3.645 -2.176 134 HD2 HIS 20 2HD HIS 20 -7.071 3.359 -4.067 135 HE1 HIS 20 1HE HIS 20 -5.681 6.956 -5.834 136 HE2 HIS 20 2HE HIS 20 -7.250 4.999 -6.058 137 H SER 21 HN SER 21 -6.556 1.342 -0.753 138 HA SER 21 HA SER 21 -5.426 1.263 1.900 139 HB2 SER 21 2HB SER 21 -5.849 -1.251 1.606 140 HB3 SER 21 3HB SER 21 -7.261 -0.195 1.592 141 HG SER 21 HG SER 21 -7.231 -1.767 -0.120 142 H PHE 22 HN PHE 22 -3.629 -0.033 2.528 143 HA PHE 22 HA PHE 22 -1.857 -1.095 0.519 144 HB2 PHE 22 2HB PHE 22 -0.973 1.288 2.163 145 HB3 PHE 22 3HB PHE 22 0.046 0.353 1.073 146 HD1 PHE 22 1HD PHE 22 -0.355 0.439 -1.368 147 HD2 PHE 22 2HD PHE 22 -2.424 2.973 1.355 148 HE1 PHE 22 1HE PHE 22 -0.990 1.916 -3.230 149 HE2 PHE 22 2HE PHE 22 -3.064 4.454 -0.503 150 HZ PHE 22 HZ PHE 22 -2.347 3.926 -2.799 151 H CYS 23 HN CYS 23 -2.092 -3.013 1.687 152 HA CYS 23 HA CYS 23 -1.924 -3.471 4.368 153 HB2 CYS 23 2HB CYS 23 -1.267 -5.713 3.873 154 HB3 CYS 23 3HB CYS 23 -2.300 -5.180 2.550 155 H GLN 24 HN GLN 24 -0.349 -3.685 5.904 156 HA GLN 24 HA GLN 24 1.857 -2.107 5.927 157 HB2 GLN 24 2HB GLN 24 0.772 -3.730 7.741 158 HB3 GLN 24 3HB GLN 24 2.140 -4.739 7.290 159 HG2 GLN 24 2HG GLN 24 2.731 -3.426 9.199 160 HG3 GLN 24 3HG GLN 24 3.650 -2.857 7.807 161 HE21 GLN 24 1HE2 GLN 24 3.956 -0.764 8.127 162 HE22 GLN 24 2HE2 GLN 24 2.727 0.388 8.508 163 H LYS 25 HN LYS 25 1.725 -5.474 4.836 164 HA LYS 25 HA LYS 25 4.270 -6.194 4.441 165 HB2 LYS 25 2HB LYS 25 2.384 -6.417 2.113 166 HB3 LYS 25 3HB LYS 25 3.589 -7.572 2.666 167 HG2 LYS 25 2HG LYS 25 0.900 -6.971 3.841 168 HG3 LYS 25 3HG LYS 25 1.532 -8.511 3.255 169 HD2 LYS 25 2HD LYS 25 3.032 -8.679 5.113 170 HD3 LYS 25 3HD LYS 25 2.647 -7.038 5.638 171 HE2 LYS 25 2HE LYS 25 1.407 -8.406 7.070 172 HE3 LYS 25 3HE LYS 25 0.239 -7.872 5.862 173 HZ1 LYS 25 1HZ LYS 25 1.570 -10.513 6.049 174 HZ2 LYS 25 2HZ LYS 25 0.715 -10.011 4.678 175 HZ3 LYS 25 3HZ LYS 25 -0.084 -10.176 6.160 176 H CYS 26 HN CYS 26 2.537 -4.405 1.883 177 HA CYS 26 HA CYS 26 4.928 -3.730 0.504 178 HB2 CYS 26 2HB CYS 26 3.409 -2.169 -0.775 179 HB3 CYS 26 3HB CYS 26 2.915 -3.859 -0.771 180 H ILE 27 HN ILE 27 2.781 -1.941 2.680 181 HA ILE 27 HA ILE 27 3.944 0.571 2.504 182 HB ILE 27 HB ILE 27 2.198 -0.797 4.387 183 HG12 ILE 27 2HG1 ILE 27 2.513 2.090 3.537 184 HG13 ILE 27 3HG1 ILE 27 1.437 0.903 2.807 185 HG21 ILE 27 1HG2 ILE 27 3.990 -0.363 5.965 186 HG22 ILE 27 2HG2 ILE 27 4.048 1.326 5.464 187 HG23 ILE 27 3HG2 ILE 27 2.622 0.700 6.291 188 HD11 ILE 27 1HD1 ILE 27 -0.049 1.967 4.140 189 HD12 ILE 27 2HD1 ILE 27 0.534 0.768 5.296 190 HD13 ILE 27 3HD1 ILE 27 1.171 2.413 5.334 191 H ASP 28 HN ASP 28 5.217 -2.307 3.839 192 HA ASP 28 HA ASP 28 7.271 -0.824 5.328 193 HB2 ASP 28 2HB ASP 28 5.817 -2.992 6.113 194 HB3 ASP 28 3HB ASP 28 7.269 -3.768 5.484 195 H LYS 29 HN LYS 29 6.774 -3.091 2.701 196 HA LYS 29 HA LYS 29 9.471 -3.770 2.244 197 HB2 LYS 29 2HB LYS 29 7.556 -5.014 1.297 198 HB3 LYS 29 3HB LYS 29 7.195 -3.644 0.255 199 HG2 LYS 29 2HG LYS 29 9.463 -3.914 -0.754 200 HG3 LYS 29 3HG LYS 29 9.636 -5.401 0.182 201 HD2 LYS 29 2HD LYS 29 7.533 -6.223 -0.904 202 HD3 LYS 29 3HD LYS 29 7.586 -4.801 -1.949 203 HE2 LYS 29 2HE LYS 29 10.147 -6.010 -2.005 204 HE3 LYS 29 3HE LYS 29 8.952 -7.286 -2.235 205 HZ1 LYS 29 1HZ LYS 29 8.189 -5.096 -3.792 206 HZ2 LYS 29 2HZ LYS 29 8.708 -6.619 -4.315 207 HZ3 LYS 29 3HZ LYS 29 9.832 -5.375 -4.086 208 H TRP 30 HN TRP 30 7.431 -1.176 0.969 209 HA TRP 30 HA TRP 30 9.365 -0.160 -0.842 210 HB2 TRP 30 2HB TRP 30 6.847 0.965 0.360 211 HB3 TRP 30 3HB TRP 30 7.881 1.946 -0.675 212 HD1 TRP 30 1HD TRP 30 5.304 -0.815 -0.791 213 HE1 TRP 30 1HE TRP 30 4.765 -1.374 -3.245 214 HE3 TRP 30 3HE TRP 30 9.008 1.873 -3.068 215 HZ2 TRP 30 2HZ TRP 30 5.776 -0.756 -5.807 216 HZ3 TRP 30 3HZ TRP 30 9.153 1.835 -5.524 217 HH2 TRP 30 2HH TRP 30 7.570 0.547 -6.864 218 H SER 31 HN SER 31 10.205 2.135 -0.643 219 HA SER 31 HA SER 31 11.159 2.612 2.105 220 HB2 SER 31 2HB SER 31 12.774 3.417 -0.291 221 HB3 SER 31 3HB SER 31 13.314 3.067 1.351 222 HG SER 31 HG SER 31 13.851 1.372 -0.065 223 H ASP 32 HN ASP 32 8.859 3.736 0.565 224 HA ASP 32 HA ASP 32 9.507 6.552 1.028 225 HB2 ASP 32 2HB ASP 32 7.738 6.296 -1.249 226 HB3 ASP 32 3HB ASP 32 9.244 7.198 -1.100 227 H ARG 33 HN ARG 33 8.151 7.142 2.583 228 HA ARG 33 HA ARG 33 5.305 6.498 2.277 229 HB2 ARG 33 2HB ARG 33 5.251 6.237 4.825 230 HB3 ARG 33 3HB ARG 33 5.916 4.905 3.889 231 HG2 ARG 33 2HG ARG 33 7.415 5.120 5.635 232 HG3 ARG 33 3HG ARG 33 8.195 6.024 4.336 233 HD2 ARG 33 2HD ARG 33 7.817 8.049 5.332 234 HD3 ARG 33 3HD ARG 33 6.373 7.487 6.172 235 HE ARG 33 HE ARG 33 7.691 6.784 7.922 236 HH11 ARG 33 1HH1 ARG 33 9.689 7.615 5.196 237 HH12 ARG 33 2HH1 ARG 33 11.170 7.540 6.092 238 HH21 ARG 33 1HH2 ARG 33 9.633 6.683 9.114 239 HH22 ARG 33 2HH2 ARG 33 11.137 7.010 8.321 240 H HIS 34 HN HIS 34 3.876 8.029 3.121 241 HA HIS 34 HA HIS 34 4.655 10.256 4.670 242 HB2 HIS 34 2HB HIS 34 4.862 10.512 1.727 243 HB3 HIS 34 3HB HIS 34 4.060 11.837 2.564 244 HD2 HIS 34 2HD HIS 34 6.500 11.031 5.099 245 HE1 HIS 34 1HE HIS 34 8.758 13.302 2.317 246 HE2 HIS 34 2HE HIS 34 8.708 12.293 4.624 247 H ARG 35 HN ARG 35 2.586 10.789 1.922 248 HA ARG 35 HA ARG 35 0.165 9.844 3.001 249 HB2 ARG 35 2HB ARG 35 -0.871 11.953 3.688 250 HB3 ARG 35 3HB ARG 35 0.530 11.582 4.685 251 HG2 ARG 35 2HG ARG 35 1.223 13.648 4.278 252 HG3 ARG 35 3HG ARG 35 1.560 13.120 2.627 253 HD2 ARG 35 2HD ARG 35 -1.161 13.624 2.624 254 HD3 ARG 35 3HD ARG 35 -0.494 14.912 3.627 255 HE ARG 35 HE ARG 35 -0.292 14.693 0.816 256 HH11 ARG 35 1HH1 ARG 35 1.540 15.630 3.625 257 HH12 ARG 35 2HH1 ARG 35 2.537 16.754 2.761 258 HH21 ARG 35 1HH2 ARG 35 1.013 16.170 -0.332 259 HH22 ARG 35 2HH2 ARG 35 2.235 17.061 0.511 260 H ASN 36 HN ASN 36 1.621 10.067 0.490 261 HA ASN 36 HA ASN 36 -0.371 11.554 -1.096 262 HB2 ASN 36 2HB ASN 36 1.360 11.813 -2.829 263 HB3 ASN 36 3HB ASN 36 1.860 12.539 -1.304 264 HD21 ASN 36 1HD2 ASN 36 3.659 11.825 -0.312 265 HD22 ASN 36 2HD2 ASN 36 4.667 10.559 -0.918 266 H CYS 37 HN CYS 37 1.630 8.649 -0.907 267 HA CYS 37 HA CYS 37 1.292 6.537 -1.691 268 HB2 CYS 37 2HB CYS 37 -0.840 5.825 -1.675 269 HB3 CYS 37 3HB CYS 37 -1.268 7.489 -1.287 270 HA PRO 38 HA PRO 38 2.623 6.840 -5.870 271 HB2 PRO 38 2HB PRO 38 2.439 4.231 -6.596 272 HB3 PRO 38 3HB PRO 38 3.701 4.842 -5.520 273 HG2 PRO 38 2HG PRO 38 1.149 3.435 -4.839 274 HG3 PRO 38 3HG PRO 38 2.770 3.199 -4.163 275 HD2 PRO 38 2HD PRO 38 0.860 4.640 -2.896 276 HD3 PRO 38 3HD PRO 38 2.589 5.021 -2.762 277 H ILE 39 HN ILE 39 -0.214 4.726 -5.408 278 HA ILE 39 HA ILE 39 -1.294 4.501 -7.834 279 HB ILE 39 HB ILE 39 -2.801 5.346 -5.359 280 HG12 ILE 39 2HG1 ILE 39 -1.650 3.259 -5.029 281 HG13 ILE 39 3HG1 ILE 39 -3.355 2.902 -5.279 282 HG21 ILE 39 1HG2 ILE 39 -3.772 4.409 -8.040 283 HG22 ILE 39 2HG2 ILE 39 -4.738 4.216 -6.578 284 HG23 ILE 39 3HG2 ILE 39 -4.271 5.829 -7.119 285 HD11 ILE 39 1HD1 ILE 39 -1.043 2.434 -7.111 286 HD12 ILE 39 2HD1 ILE 39 -2.276 1.303 -6.550 287 HD13 ILE 39 3HD1 ILE 39 -2.688 2.540 -7.737 288 H CYS 40 HN CYS 40 -2.615 7.170 -5.912 289 HA CYS 40 HA CYS 40 -3.687 8.675 -7.886 290 HB2 CYS 40 2HB CYS 40 -2.183 9.757 -5.494 291 HB3 CYS 40 3HB CYS 40 -3.353 10.654 -6.455 292 H ARG 41 HN ARG 41 -0.361 9.139 -6.678 293 HA ARG 41 HA ARG 41 0.531 11.095 -8.337 294 HB2 ARG 41 2HB ARG 41 2.528 10.591 -7.458 295 HB3 ARG 41 3HB ARG 41 1.719 9.276 -6.618 296 HG2 ARG 41 2HG ARG 41 3.513 8.230 -7.634 297 HG3 ARG 41 3HG ARG 41 2.186 7.916 -8.755 298 HD2 ARG 41 2HD ARG 41 3.090 9.188 -10.380 299 HD3 ARG 41 3HD ARG 41 3.679 10.401 -9.243 300 HE ARG 41 HE ARG 41 5.185 8.019 -9.009 301 HH11 ARG 41 1HH1 ARG 41 4.709 10.762 -11.099 302 HH12 ARG 41 2HH1 ARG 41 6.317 10.716 -11.742 303 HH21 ARG 41 1HH2 ARG 41 7.304 7.947 -9.849 304 HH22 ARG 41 2HH2 ARG 41 7.792 9.113 -11.031 305 H LEU 42 HN LEU 42 -0.022 7.733 -9.160 306 HA LEU 42 HA LEU 42 0.213 6.565 -11.117 307 HB2 LEU 42 2HB LEU 42 -1.209 9.081 -11.671 308 HB3 LEU 42 3HB LEU 42 -0.596 8.233 -13.089 309 HG LEU 42 HG LEU 42 -2.416 6.999 -11.025 310 HD11 LEU 42 1HD1 LEU 42 -3.041 8.903 -13.003 311 HD12 LEU 42 2HD1 LEU 42 -4.151 7.947 -12.022 312 HD13 LEU 42 3HD1 LEU 42 -3.619 7.343 -13.591 313 HD21 LEU 42 1HD2 LEU 42 -2.094 5.964 -13.787 314 HD22 LEU 42 2HD2 LEU 42 -2.418 5.102 -12.282 315 HD23 LEU 42 3HD2 LEU 42 -0.785 5.668 -12.642 Start of MODEL 3 1 H1 GLU 1 HN GLU 1 -13.859 -2.665 6.605 2 HA GLU 1 HA GLU 1 -11.336 -3.780 6.084 3 HB2 GLU 1 2HB GLU 1 -14.075 -5.028 5.799 4 HB3 GLU 1 3HB GLU 1 -12.558 -5.917 5.810 5 HG2 GLU 1 2HG GLU 1 -12.317 -4.545 8.111 6 HG3 GLU 1 3HG GLU 1 -14.070 -4.717 8.029 7 H GLU 2 HN GLU 2 -10.299 -3.329 4.231 8 HA GLU 2 HA GLU 2 -11.701 -3.942 1.715 9 HB2 GLU 2 2HB GLU 2 -9.482 -1.956 1.710 10 HB3 GLU 2 3HB GLU 2 -10.892 -2.066 0.665 11 HG2 GLU 2 2HG GLU 2 -10.768 -1.013 3.476 12 HG3 GLU 2 3HG GLU 2 -11.124 -0.117 1.999 13 H GLU 3 HN GLU 3 -9.512 -3.639 0.016 14 HA GLU 3 HA GLU 3 -7.559 -5.596 1.008 15 HB2 GLU 3 2HB GLU 3 -8.712 -5.725 -1.775 16 HB3 GLU 3 3HB GLU 3 -7.695 -6.912 -0.971 17 HG2 GLU 3 2HG GLU 3 -9.458 -7.956 -0.142 18 HG3 GLU 3 3HG GLU 3 -10.084 -6.462 0.553 19 H CYS 4 HN CYS 4 -5.487 -5.221 0.428 20 HA CYS 4 HA CYS 4 -4.460 -2.838 -0.193 21 HB2 CYS 4 2HB CYS 4 -3.188 -4.982 0.271 22 HB3 CYS 4 3HB CYS 4 -3.329 -5.341 -1.447 23 H CYS 5 HN CYS 5 -3.869 -1.635 -2.000 24 HA CYS 5 HA CYS 5 -5.377 -2.293 -4.435 25 HB2 CYS 5 2HB CYS 5 -5.499 -0.018 -2.996 26 HB3 CYS 5 3HB CYS 5 -4.197 0.407 -4.100 27 HG CYS 5 HG CYS 5 -5.818 -0.255 -6.390 28 H ILE 6 HN ILE 6 -2.601 -3.181 -3.542 29 HA ILE 6 HA ILE 6 -1.194 -2.337 -5.990 30 HB ILE 6 HB ILE 6 -0.061 -2.817 -3.241 31 HG12 ILE 6 2HG1 ILE 6 0.115 -0.495 -5.175 32 HG13 ILE 6 3HG1 ILE 6 -0.854 -0.548 -3.705 33 HG21 ILE 6 1HG2 ILE 6 2.173 -2.555 -4.271 34 HG22 ILE 6 2HG2 ILE 6 1.344 -4.026 -4.780 35 HG23 ILE 6 3HG2 ILE 6 1.416 -2.635 -5.863 36 HD11 ILE 6 1HD1 ILE 6 1.283 -0.835 -2.429 37 HD12 ILE 6 2HD1 ILE 6 2.139 -0.499 -3.934 38 HD13 ILE 6 3HD1 ILE 6 1.080 0.722 -3.230 39 H CYS 7 HN CYS 7 -0.848 -4.838 -3.466 40 HA CYS 7 HA CYS 7 -0.040 -6.781 -5.446 41 HB2 CYS 7 2HB CYS 7 0.186 -8.303 -3.501 42 HB3 CYS 7 3HB CYS 7 1.074 -6.797 -3.290 43 H MET 8 HN MET 8 -2.960 -5.728 -4.090 44 HA MET 8 HA MET 8 -5.086 -6.562 -4.031 45 HB2 MET 8 2HB MET 8 -3.925 -7.201 -6.659 46 HB3 MET 8 3HB MET 8 -5.358 -8.133 -6.245 47 HG2 MET 8 2HG MET 8 -6.730 -6.322 -6.300 48 HG3 MET 8 3HG MET 8 -5.455 -5.203 -5.826 49 HE1 MET 8 1HE MET 8 -7.396 -6.970 -8.335 50 HE2 MET 8 2HE MET 8 -6.950 -6.290 -9.901 51 HE3 MET 8 3HE MET 8 -6.029 -7.636 -9.229 52 H ASP 9 HN ASP 9 -2.899 -8.231 -2.820 53 HA ASP 9 HA ASP 9 -4.415 -10.751 -2.722 54 HB2 ASP 9 2HB ASP 9 -2.012 -10.641 -3.910 55 HB3 ASP 9 3HB ASP 9 -1.486 -10.867 -2.245 56 H GLY 10 HN GLY 10 -5.043 -8.848 -0.953 57 HA2 GLY 10 1HA GLY 10 -4.752 -10.026 1.529 58 HA3 GLY 10 2HA GLY 10 -3.450 -8.852 1.411 59 H ARG 11 HN ARG 11 -5.491 -8.713 3.329 60 HA ARG 11 HA ARG 11 -7.593 -6.978 2.576 61 HB2 ARG 11 2HB ARG 11 -6.418 -7.927 5.137 62 HB3 ARG 11 3HB ARG 11 -7.400 -6.469 5.195 63 HG2 ARG 11 2HG ARG 11 -9.245 -7.685 5.175 64 HG3 ARG 11 3HG ARG 11 -8.769 -8.426 3.646 65 HD2 ARG 11 2HD ARG 11 -8.027 -10.310 4.641 66 HD3 ARG 11 3HD ARG 11 -7.381 -9.444 6.033 67 HE ARG 11 HE ARG 11 -10.007 -9.252 6.465 68 HH11 ARG 11 1HH1 ARG 11 -8.026 -11.971 5.569 69 HH12 ARG 11 2HH1 ARG 11 -9.035 -13.134 6.362 70 HH21 ARG 11 1HH2 ARG 11 -11.343 -10.773 7.514 71 HH22 ARG 11 2HH2 ARG 11 -10.923 -12.452 7.468 72 H ALA 12 HN ALA 12 -7.716 -4.831 4.088 73 HA ALA 12 HA ALA 12 -5.347 -3.247 3.335 74 HB1 ALA 12 1HB ALA 12 -7.047 -2.374 2.036 75 HB2 ALA 12 2HB ALA 12 -8.266 -2.603 3.291 76 HB3 ALA 12 3HB ALA 12 -7.073 -1.313 3.446 77 H ASP 13 HN ASP 13 -4.318 -3.676 5.343 78 HA ASP 13 HA ASP 13 -5.525 -3.113 7.848 79 HB2 ASP 13 2HB ASP 13 -3.434 -4.545 7.331 80 HB3 ASP 13 3HB ASP 13 -2.559 -3.016 7.360 81 H LEU 14 HN LEU 14 -4.116 -1.138 5.424 82 HA LEU 14 HA LEU 14 -4.327 1.184 7.216 83 HB2 LEU 14 2HB LEU 14 -1.985 0.194 5.956 84 HB3 LEU 14 3HB LEU 14 -2.414 1.717 5.179 85 HG LEU 14 HG LEU 14 -0.807 2.056 6.980 86 HD11 LEU 14 1HD1 LEU 14 -3.465 3.133 7.878 87 HD12 LEU 14 2HD1 LEU 14 -2.639 3.721 6.435 88 HD13 LEU 14 3HD1 LEU 14 -1.873 3.881 8.015 89 HD21 LEU 14 1HD2 LEU 14 -2.947 0.852 8.733 90 HD22 LEU 14 2HD2 LEU 14 -1.505 1.681 9.323 91 HD23 LEU 14 3HD2 LEU 14 -1.348 0.183 8.402 92 H ILE 15 HN ILE 15 -5.995 2.339 6.515 93 HA ILE 15 HA ILE 15 -6.464 2.536 3.617 94 HB ILE 15 HB ILE 15 -8.402 3.158 5.846 95 HG12 ILE 15 2HG1 ILE 15 -8.920 0.854 4.092 96 HG13 ILE 15 3HG1 ILE 15 -7.526 0.660 5.148 97 HG21 ILE 15 1HG2 ILE 15 -9.972 3.647 4.264 98 HG22 ILE 15 2HG2 ILE 15 -8.524 4.181 3.414 99 HG23 ILE 15 3HG2 ILE 15 -9.231 2.608 3.047 100 HD11 ILE 15 1HD1 ILE 15 -9.209 -0.201 6.438 101 HD12 ILE 15 2HD1 ILE 15 -9.175 1.474 6.994 102 HD13 ILE 15 3HD1 ILE 15 -10.404 0.952 5.841 103 H LEU 16 HN LEU 16 -4.994 4.205 3.206 104 HA LEU 16 HA LEU 16 -4.647 6.554 4.611 105 HB2 LEU 16 2HB LEU 16 -4.362 5.811 1.738 106 HB3 LEU 16 3HB LEU 16 -4.204 7.504 2.204 107 HG LEU 16 HG LEU 16 -2.539 5.311 3.422 108 HD11 LEU 16 1HD1 LEU 16 -0.838 6.638 1.795 109 HD12 LEU 16 2HD1 LEU 16 -2.305 6.653 0.817 110 HD13 LEU 16 3HD1 LEU 16 -1.633 5.121 1.375 111 HD21 LEU 16 1HD2 LEU 16 -2.761 7.443 4.662 112 HD22 LEU 16 2HD2 LEU 16 -2.113 8.293 3.259 113 HD23 LEU 16 3HD2 LEU 16 -1.113 7.122 4.121 114 HA PRO 17 HA PRO 17 -8.230 9.034 4.099 115 HB2 PRO 17 2HB PRO 17 -7.170 11.513 3.786 116 HB3 PRO 17 3HB PRO 17 -7.163 10.654 5.331 117 HG2 PRO 17 2HG PRO 17 -4.973 10.933 3.309 118 HG3 PRO 17 3HG PRO 17 -4.886 11.048 5.076 119 HD2 PRO 17 2HD PRO 17 -4.155 8.819 3.723 120 HD3 PRO 17 3HD PRO 17 -4.864 8.760 5.350 121 H CYS 18 HN CYS 18 -6.211 8.386 1.564 122 HA CYS 18 HA CYS 18 -7.642 10.114 -0.327 123 HB2 CYS 18 2HB CYS 18 -5.216 10.194 -0.501 124 HB3 CYS 18 3HB CYS 18 -5.145 8.443 -0.675 125 H ALA 19 HN ALA 19 -7.917 7.112 0.985 126 HA ALA 19 HA ALA 19 -9.409 5.438 0.467 127 HB1 ALA 19 1HB ALA 19 -10.985 5.832 -1.063 128 HB2 ALA 19 2HB ALA 19 -10.192 7.392 -1.293 129 HB3 ALA 19 3HB ALA 19 -9.805 6.041 -2.357 130 H HIS 20 HN HIS 20 -6.451 5.616 -0.121 131 HA HIS 20 HA HIS 20 -6.294 3.392 -2.049 132 HB2 HIS 20 2HB HIS 20 -4.448 5.684 -1.491 133 HB3 HIS 20 3HB HIS 20 -3.794 4.176 -2.120 134 HD2 HIS 20 2HD HIS 20 -6.057 3.524 -4.380 135 HE1 HIS 20 1HE HIS 20 -5.133 7.397 -5.845 136 HE2 HIS 20 2HE HIS 20 -6.263 5.201 -6.339 137 H SER 21 HN SER 21 -6.512 1.694 -0.635 138 HA SER 21 HA SER 21 -5.224 1.510 1.871 139 HB2 SER 21 2HB SER 21 -5.650 -1.071 1.327 140 HB3 SER 21 3HB SER 21 -6.963 0.018 1.776 141 HG SER 21 HG SER 21 -7.796 -0.337 -0.107 142 H PHE 22 HN PHE 22 -3.571 -0.100 2.458 143 HA PHE 22 HA PHE 22 -1.786 -1.074 0.436 144 HB2 PHE 22 2HB PHE 22 -0.868 1.191 2.220 145 HB3 PHE 22 3HB PHE 22 0.185 0.229 1.187 146 HD1 PHE 22 1HD PHE 22 -0.328 0.234 -1.328 147 HD2 PHE 22 2HD PHE 22 -1.874 3.109 1.402 148 HE1 PHE 22 1HE PHE 22 -0.751 1.777 -3.198 149 HE2 PHE 22 2HE PHE 22 -2.302 4.656 -0.462 150 HZ PHE 22 HZ PHE 22 -1.740 3.990 -2.767 151 H CYS 23 HN CYS 23 -2.022 -3.060 1.415 152 HA CYS 23 HA CYS 23 -2.018 -3.729 4.062 153 HB2 CYS 23 2HB CYS 23 -1.410 -5.932 3.428 154 HB3 CYS 23 3HB CYS 23 -2.285 -5.266 2.053 155 H GLN 24 HN GLN 24 -0.483 -4.265 5.613 156 HA GLN 24 HA GLN 24 1.669 -2.678 6.011 157 HB2 GLN 24 2HB GLN 24 0.938 -5.385 6.970 158 HB3 GLN 24 3HB GLN 24 2.605 -4.891 7.227 159 HG2 GLN 24 2HG GLN 24 0.699 -2.830 7.973 160 HG3 GLN 24 3HG GLN 24 0.470 -4.334 8.864 161 HE21 GLN 24 1HE2 GLN 24 3.178 -2.332 7.731 162 HE22 GLN 24 2HE2 GLN 24 4.055 -2.377 9.219 163 H LYS 25 HN LYS 25 1.993 -6.013 4.779 164 HA LYS 25 HA LYS 25 4.586 -6.230 4.213 165 HB2 LYS 25 2HB LYS 25 2.157 -7.197 2.904 166 HB3 LYS 25 3HB LYS 25 3.537 -7.114 1.817 167 HG2 LYS 25 2HG LYS 25 3.671 -8.471 4.492 168 HG3 LYS 25 3HG LYS 25 3.166 -9.305 3.021 169 HD2 LYS 25 2HD LYS 25 5.641 -7.782 2.714 170 HD3 LYS 25 3HD LYS 25 5.749 -9.070 3.916 171 HE2 LYS 25 2HE LYS 25 5.333 -10.730 2.363 172 HE3 LYS 25 3HE LYS 25 4.522 -9.629 1.250 173 HZ1 LYS 25 1HZ LYS 25 6.470 -8.956 0.349 174 HZ2 LYS 25 2HZ LYS 25 6.973 -10.494 0.846 175 HZ3 LYS 25 3HZ LYS 25 7.347 -9.136 1.784 176 H CYS 26 HN CYS 26 2.356 -4.746 1.853 177 HA CYS 26 HA CYS 26 4.319 -3.809 0.105 178 HB2 CYS 26 2HB CYS 26 1.477 -3.028 0.652 179 HB3 CYS 26 3HB CYS 26 2.450 -2.052 -0.443 180 H ILE 27 HN ILE 27 2.798 -2.240 2.891 181 HA ILE 27 HA ILE 27 3.929 0.295 2.607 182 HB ILE 27 HB ILE 27 2.536 -1.155 4.687 183 HG12 ILE 27 2HG1 ILE 27 2.890 1.814 4.230 184 HG13 ILE 27 3HG1 ILE 27 1.719 0.812 3.380 185 HG21 ILE 27 1HG2 ILE 27 4.795 0.650 5.528 186 HG22 ILE 27 2HG2 ILE 27 3.443 0.223 6.575 187 HG23 ILE 27 3HG2 ILE 27 4.530 -1.033 5.984 188 HD11 ILE 27 1HD1 ILE 27 0.428 1.716 5.035 189 HD12 ILE 27 2HD1 ILE 27 0.933 0.207 5.794 190 HD13 ILE 27 3HD1 ILE 27 1.740 1.718 6.213 191 H ASP 28 HN ASP 28 5.300 -2.688 3.740 192 HA ASP 28 HA ASP 28 7.488 -1.663 5.186 193 HB2 ASP 28 2HB ASP 28 6.566 -4.105 4.969 194 HB3 ASP 28 3HB ASP 28 7.693 -4.210 3.619 195 H LYS 29 HN LYS 29 7.029 -2.362 1.763 196 HA LYS 29 HA LYS 29 9.755 -1.845 1.052 197 HB2 LYS 29 2HB LYS 29 7.333 -1.860 -0.754 198 HB3 LYS 29 3HB LYS 29 9.014 -2.057 -1.236 199 HG2 LYS 29 2HG LYS 29 9.025 -4.139 0.222 200 HG3 LYS 29 3HG LYS 29 7.267 -3.980 0.264 201 HD2 LYS 29 2HD LYS 29 7.588 -3.787 -2.357 202 HD3 LYS 29 3HD LYS 29 9.063 -4.686 -1.999 203 HE2 LYS 29 2HE LYS 29 6.324 -5.528 -1.070 204 HE3 LYS 29 3HE LYS 29 7.062 -6.093 -2.569 205 HZ1 LYS 29 1HZ LYS 29 8.921 -6.956 -1.228 206 HZ2 LYS 29 2HZ LYS 29 7.447 -7.689 -0.845 207 HZ3 LYS 29 3HZ LYS 29 8.097 -6.512 0.182 208 H TRP 30 HN TRP 30 6.749 -0.108 0.219 209 HA TRP 30 HA TRP 30 8.288 2.304 -0.299 210 HB2 TRP 30 2HB TRP 30 6.302 3.195 -1.269 211 HB3 TRP 30 3HB TRP 30 6.394 1.512 -1.782 212 HD1 TRP 30 1HD TRP 30 4.451 -0.090 -1.052 213 HE1 TRP 30 1HE TRP 30 2.206 0.277 0.151 214 HE3 TRP 30 3HE TRP 30 5.196 4.685 0.619 215 HZ2 TRP 30 2HZ TRP 30 0.920 2.319 1.616 216 HZ3 TRP 30 3HZ TRP 30 3.409 5.772 1.914 217 HH2 TRP 30 2HH TRP 30 1.316 4.613 2.400 218 H SER 31 HN SER 31 8.674 3.759 1.222 219 HA SER 31 HA SER 31 6.633 4.402 3.189 220 HB2 SER 31 2HB SER 31 7.991 2.578 4.219 221 HB3 SER 31 3HB SER 31 9.419 3.602 4.063 222 HG SER 31 HG SER 31 8.431 3.742 6.141 223 H ASP 32 HN ASP 32 6.441 6.498 2.677 224 HA ASP 32 HA ASP 32 8.817 8.185 2.985 225 HB2 ASP 32 2HB ASP 32 6.861 8.373 0.684 226 HB3 ASP 32 3HB ASP 32 8.123 9.552 1.033 227 H ARG 33 HN ARG 33 7.814 8.557 5.072 228 HA ARG 33 HA ARG 33 5.336 9.439 5.693 229 HB2 ARG 33 2HB ARG 33 8.035 10.063 6.748 230 HB3 ARG 33 3HB ARG 33 6.735 11.138 7.243 231 HG2 ARG 33 2HG ARG 33 5.483 8.956 7.845 232 HG3 ARG 33 3HG ARG 33 7.088 8.224 7.794 233 HD2 ARG 33 2HD ARG 33 7.836 9.410 9.613 234 HD3 ARG 33 3HD ARG 33 6.706 10.737 9.346 235 HE ARG 33 HE ARG 33 5.223 8.469 10.010 236 HH11 ARG 33 1HH1 ARG 33 7.545 10.613 11.470 237 HH12 ARG 33 2HH1 ARG 33 6.939 10.388 13.077 238 HH21 ARG 33 1HH2 ARG 33 4.414 8.165 12.121 239 HH22 ARG 33 2HH2 ARG 33 5.158 8.994 13.446 240 H HIS 34 HN HIS 34 4.257 10.637 4.177 241 HA HIS 34 HA HIS 34 4.981 13.457 4.047 242 HB2 HIS 34 2HB HIS 34 5.008 11.590 1.743 243 HB3 HIS 34 3HB HIS 34 4.254 13.158 1.471 244 HD2 HIS 34 2HD HIS 34 7.754 11.599 1.781 245 HE1 HIS 34 1HE HIS 34 8.256 15.801 1.489 246 HE2 HIS 34 2HE HIS 34 9.395 13.557 1.379 247 H ARG 35 HN ARG 35 2.713 11.576 2.081 248 HA ARG 35 HA ARG 35 0.400 11.731 3.487 249 HB2 ARG 35 2HB ARG 35 1.242 14.386 2.590 250 HB3 ARG 35 3HB ARG 35 -0.390 13.968 2.085 251 HG2 ARG 35 2HG ARG 35 -0.028 13.251 4.830 252 HG3 ARG 35 3HG ARG 35 0.456 14.930 4.581 253 HD2 ARG 35 2HD ARG 35 -1.707 15.323 3.424 254 HD3 ARG 35 3HD ARG 35 -2.184 13.676 3.838 255 HE ARG 35 HE ARG 35 -1.511 14.796 6.227 256 HH11 ARG 35 1HH1 ARG 35 -3.703 15.644 3.660 257 HH12 ARG 35 2HH1 ARG 35 -4.830 16.440 4.709 258 HH21 ARG 35 1HH2 ARG 35 -2.987 15.840 7.619 259 HH22 ARG 35 2HH2 ARG 35 -4.422 16.551 6.960 260 H ASN 36 HN ASN 36 2.016 12.027 0.451 261 HA ASN 36 HA ASN 36 -0.326 11.442 -1.136 262 HB2 ASN 36 2HB ASN 36 1.477 11.181 -2.970 263 HB3 ASN 36 3HB ASN 36 1.218 12.782 -2.284 264 HD21 ASN 36 1HD2 ASN 36 3.401 10.175 -2.698 265 HD22 ASN 36 2HD2 ASN 36 4.762 10.897 -1.916 266 H CYS 37 HN CYS 37 -0.200 9.580 -2.725 267 HA CYS 37 HA CYS 37 0.826 7.181 -1.350 268 HB2 CYS 37 2HB CYS 37 -1.294 6.533 -3.167 269 HB3 CYS 37 3HB CYS 37 -1.224 6.293 -1.425 270 HA PRO 38 HA PRO 38 3.095 6.102 -4.948 271 HB2 PRO 38 2HB PRO 38 2.894 3.395 -4.930 272 HB3 PRO 38 3HB PRO 38 3.884 4.292 -3.772 273 HG2 PRO 38 2HG PRO 38 1.137 3.150 -3.434 274 HG3 PRO 38 3HG PRO 38 2.507 3.120 -2.309 275 HD2 PRO 38 2HD PRO 38 0.457 4.871 -2.062 276 HD3 PRO 38 3HD PRO 38 2.119 5.273 -1.581 277 H ILE 39 HN ILE 39 -0.173 4.863 -4.640 278 HA ILE 39 HA ILE 39 -0.376 4.003 -7.370 279 HB ILE 39 HB ILE 39 -2.413 4.384 -5.186 280 HG12 ILE 39 2HG1 ILE 39 -0.665 2.363 -5.587 281 HG13 ILE 39 3HG1 ILE 39 -2.249 2.142 -4.853 282 HG21 ILE 39 1HG2 ILE 39 -3.725 4.890 -7.024 283 HG22 ILE 39 2HG2 ILE 39 -2.826 3.815 -8.092 284 HG23 ILE 39 3HG2 ILE 39 -3.926 3.144 -6.888 285 HD11 ILE 39 1HD1 ILE 39 -3.122 1.145 -6.720 286 HD12 ILE 39 2HD1 ILE 39 -1.977 1.928 -7.808 287 HD13 ILE 39 3HD1 ILE 39 -1.449 0.591 -6.785 288 H CYS 40 HN CYS 40 -0.622 6.995 -5.753 289 HA CYS 40 HA CYS 40 -2.366 8.226 -7.712 290 HB2 CYS 40 2HB CYS 40 -1.164 8.992 -5.131 291 HB3 CYS 40 3HB CYS 40 -1.316 10.306 -6.293 292 H ARG 41 HN ARG 41 0.904 7.477 -7.493 293 HA ARG 41 HA ARG 41 2.163 9.682 -8.652 294 HB2 ARG 41 2HB ARG 41 2.760 6.765 -8.488 295 HB3 ARG 41 3HB ARG 41 3.697 7.739 -9.614 296 HG2 ARG 41 2HG ARG 41 3.994 9.291 -7.514 297 HG3 ARG 41 3HG ARG 41 3.639 7.798 -6.644 298 HD2 ARG 41 2HD ARG 41 5.468 7.054 -8.600 299 HD3 ARG 41 3HD ARG 41 6.052 8.613 -8.019 300 HE ARG 41 HE ARG 41 6.590 7.629 -6.020 301 HH11 ARG 41 1HH1 ARG 41 4.502 5.505 -7.821 302 HH12 ARG 41 2HH1 ARG 41 4.701 4.173 -6.731 303 HH21 ARG 41 1HH2 ARG 41 6.861 5.883 -4.578 304 HH22 ARG 41 2HH2 ARG 41 6.043 4.389 -4.887 305 H LEU 42 HN LEU 42 0.464 6.966 -10.130 306 HA LEU 42 HA LEU 42 0.521 8.423 -12.685 307 HB2 LEU 42 2HB LEU 42 0.366 5.987 -13.649 308 HB3 LEU 42 3HB LEU 42 1.921 6.722 -13.265 309 HG LEU 42 HG LEU 42 0.712 5.173 -11.079 310 HD11 LEU 42 1HD1 LEU 42 1.088 3.026 -11.982 311 HD12 LEU 42 2HD1 LEU 42 1.841 3.686 -13.434 312 HD13 LEU 42 3HD1 LEU 42 0.109 3.888 -13.169 313 HD21 LEU 42 1HD2 LEU 42 3.383 4.525 -12.075 314 HD22 LEU 42 2HD2 LEU 42 2.852 4.971 -10.453 315 HD23 LEU 42 3HD2 LEU 42 3.165 6.224 -11.654 Start of MODEL 4 1 H1 GLU 1 HN GLU 1 -14.295 -7.314 3.316 2 HA GLU 1 HA GLU 1 -13.511 -4.728 4.485 3 HB2 GLU 1 2HB GLU 1 -12.150 -7.423 4.600 4 HB3 GLU 1 3HB GLU 1 -11.434 -5.934 5.201 5 HG2 GLU 1 2HG GLU 1 -13.371 -5.695 6.740 6 HG3 GLU 1 3HG GLU 1 -13.927 -7.282 6.208 7 H GLU 2 HN GLU 2 -12.006 -3.472 3.497 8 HA GLU 2 HA GLU 2 -11.577 -3.752 0.739 9 HB2 GLU 2 2HB GLU 2 -9.673 -1.999 1.321 10 HB3 GLU 2 3HB GLU 2 -11.376 -1.560 1.360 11 HG2 GLU 2 2HG GLU 2 -10.328 -2.634 3.878 12 HG3 GLU 2 3HG GLU 2 -9.613 -1.107 3.364 13 H GLU 3 HN GLU 3 -9.397 -3.795 -0.314 14 HA GLU 3 HA GLU 3 -7.494 -5.526 1.098 15 HB2 GLU 3 2HB GLU 3 -8.279 -5.998 -1.775 16 HB3 GLU 3 3HB GLU 3 -7.291 -7.024 -0.745 17 HG2 GLU 3 2HG GLU 3 -9.487 -7.089 0.710 18 HG3 GLU 3 3HG GLU 3 -10.239 -6.699 -0.836 19 H CYS 4 HN CYS 4 -5.337 -5.381 0.383 20 HA CYS 4 HA CYS 4 -4.246 -2.984 -0.103 21 HB2 CYS 4 2HB CYS 4 -3.012 -5.147 0.282 22 HB3 CYS 4 3HB CYS 4 -3.190 -5.480 -1.437 23 H CYS 5 HN CYS 5 -4.077 -1.535 -1.703 24 HA CYS 5 HA CYS 5 -5.600 -1.905 -4.097 25 HB2 CYS 5 2HB CYS 5 -4.251 0.301 -2.730 26 HB3 CYS 5 3HB CYS 5 -4.109 0.391 -4.481 27 HG CYS 5 HG CYS 5 -6.247 1.998 -3.669 28 H ILE 6 HN ILE 6 -2.452 -2.692 -3.208 29 HA ILE 6 HA ILE 6 -1.456 -2.557 -5.964 30 HB ILE 6 HB ILE 6 0.080 -3.229 -3.453 31 HG12 ILE 6 2HG1 ILE 6 -0.414 -0.634 -4.886 32 HG13 ILE 6 3HG1 ILE 6 -0.517 -0.981 -3.163 33 HG21 ILE 6 1HG2 ILE 6 1.473 -2.211 -5.827 34 HG22 ILE 6 2HG2 ILE 6 1.912 -3.511 -4.721 35 HG23 ILE 6 3HG2 ILE 6 0.752 -3.808 -6.015 36 HD11 ILE 6 1HD1 ILE 6 2.103 -1.479 -3.648 37 HD12 ILE 6 2HD1 ILE 6 1.772 -0.176 -4.790 38 HD13 ILE 6 3HD1 ILE 6 1.456 0.056 -3.072 39 H CYS 7 HN CYS 7 -0.954 -4.857 -3.290 40 HA CYS 7 HA CYS 7 -1.016 -7.050 -5.214 41 HB2 CYS 7 2HB CYS 7 -0.055 -8.406 -3.471 42 HB3 CYS 7 3HB CYS 7 0.821 -6.880 -3.526 43 H MET 8 HN MET 8 -3.468 -6.186 -5.193 44 HA MET 8 HA MET 8 -5.264 -6.835 -3.223 45 HB2 MET 8 2HB MET 8 -6.897 -7.246 -5.118 46 HB3 MET 8 3HB MET 8 -6.069 -5.694 -5.137 47 HG2 MET 8 2HG MET 8 -4.933 -6.164 -7.028 48 HG3 MET 8 3HG MET 8 -4.792 -7.879 -6.649 49 HE1 MET 8 1HE MET 8 -5.703 -6.004 -9.382 50 HE2 MET 8 2HE MET 8 -7.433 -6.110 -9.709 51 HE3 MET 8 3HE MET 8 -6.844 -5.089 -8.396 52 H ASP 9 HN ASP 9 -4.696 -8.700 -2.107 53 HA ASP 9 HA ASP 9 -5.562 -11.173 -3.385 54 HB2 ASP 9 2HB ASP 9 -3.017 -10.896 -3.601 55 HB3 ASP 9 3HB ASP 9 -2.966 -11.141 -1.857 56 H GLY 10 HN GLY 10 -4.276 -9.714 -0.403 57 HA2 GLY 10 1HA GLY 10 -5.957 -11.544 1.163 58 HA3 GLY 10 2HA GLY 10 -4.617 -10.595 1.789 59 H ARG 11 HN ARG 11 -5.029 -8.679 2.723 60 HA ARG 11 HA ARG 11 -7.576 -7.347 2.216 61 HB2 ARG 11 2HB ARG 11 -8.059 -7.130 4.616 62 HB3 ARG 11 3HB ARG 11 -8.047 -8.813 4.107 63 HG2 ARG 11 2HG ARG 11 -5.604 -7.558 5.293 64 HG3 ARG 11 3HG ARG 11 -6.904 -8.170 6.319 65 HD2 ARG 11 2HD ARG 11 -6.690 -10.338 4.977 66 HD3 ARG 11 3HD ARG 11 -5.160 -9.681 4.396 67 HE ARG 11 HE ARG 11 -5.659 -10.833 6.945 68 HH11 ARG 11 1HH1 ARG 11 -3.829 -8.347 5.334 69 HH12 ARG 11 2HH1 ARG 11 -2.552 -8.346 6.505 70 HH21 ARG 11 1HH2 ARG 11 -3.984 -10.841 8.493 71 HH22 ARG 11 2HH2 ARG 11 -2.641 -9.765 8.301 72 H ALA 12 HN ALA 12 -7.634 -5.230 3.577 73 HA ALA 12 HA ALA 12 -5.036 -3.926 3.187 74 HB1 ALA 12 1HB ALA 12 -6.449 -1.813 3.382 75 HB2 ALA 12 2HB ALA 12 -6.689 -2.814 1.950 76 HB3 ALA 12 3HB ALA 12 -7.850 -2.880 3.277 77 H ASP 13 HN ASP 13 -3.819 -3.736 4.943 78 HA ASP 13 HA ASP 13 -4.969 -3.801 7.590 79 HB2 ASP 13 2HB ASP 13 -2.562 -4.611 6.555 80 HB3 ASP 13 3HB ASP 13 -2.122 -3.109 7.362 81 H LEU 14 HN LEU 14 -4.418 -1.412 5.327 82 HA LEU 14 HA LEU 14 -4.953 0.666 7.247 83 HB2 LEU 14 2HB LEU 14 -2.285 0.126 6.615 84 HB3 LEU 14 3HB LEU 14 -2.707 1.551 5.668 85 HG LEU 14 HG LEU 14 -3.545 1.725 8.462 86 HD11 LEU 14 1HD1 LEU 14 -0.953 2.322 8.882 87 HD12 LEU 14 2HD1 LEU 14 -0.785 0.944 7.796 88 HD13 LEU 14 3HD1 LEU 14 -1.686 0.773 9.302 89 HD21 LEU 14 1HD2 LEU 14 -2.231 3.896 8.178 90 HD22 LEU 14 2HD2 LEU 14 -3.662 3.676 7.170 91 HD23 LEU 14 3HD2 LEU 14 -2.055 3.427 6.486 92 H ILE 15 HN ILE 15 -5.756 2.552 6.306 93 HA ILE 15 HA ILE 15 -6.068 2.498 3.378 94 HB ILE 15 HB ILE 15 -8.223 3.316 5.329 95 HG12 ILE 15 2HG1 ILE 15 -9.312 1.227 4.098 96 HG13 ILE 15 3HG1 ILE 15 -7.626 0.747 3.932 97 HG21 ILE 15 1HG2 ILE 15 -9.302 2.818 2.806 98 HG22 ILE 15 2HG2 ILE 15 -9.081 4.386 3.580 99 HG23 ILE 15 3HG2 ILE 15 -7.835 3.749 2.507 100 HD11 ILE 15 1HD1 ILE 15 -8.863 1.483 6.567 101 HD12 ILE 15 2HD1 ILE 15 -8.839 -0.163 5.931 102 HD13 ILE 15 3HD1 ILE 15 -7.324 0.674 6.273 103 H LEU 16 HN LEU 16 -4.380 4.027 3.214 104 HA LEU 16 HA LEU 16 -3.918 6.334 4.532 105 HB2 LEU 16 2HB LEU 16 -3.779 5.702 1.611 106 HB3 LEU 16 3HB LEU 16 -3.365 7.313 2.195 107 HG LEU 16 HG LEU 16 -2.011 4.768 3.084 108 HD11 LEU 16 1HD1 LEU 16 -0.291 6.488 1.634 109 HD12 LEU 16 2HD1 LEU 16 -1.737 6.221 0.660 110 HD13 LEU 16 3HD1 LEU 16 -0.795 4.845 1.236 111 HD21 LEU 16 1HD2 LEU 16 -1.912 6.519 4.752 112 HD22 LEU 16 2HD2 LEU 16 -1.364 7.679 3.541 113 HD23 LEU 16 3HD2 LEU 16 -0.332 6.321 3.995 114 HA PRO 17 HA PRO 17 -7.297 9.107 4.141 115 HB2 PRO 17 2HB PRO 17 -6.033 11.500 3.930 116 HB3 PRO 17 3HB PRO 17 -6.101 10.580 5.438 117 HG2 PRO 17 2HG PRO 17 -3.891 10.760 3.426 118 HG3 PRO 17 3HG PRO 17 -3.798 10.793 5.196 119 HD2 PRO 17 2HD PRO 17 -3.253 8.570 3.750 120 HD3 PRO 17 3HD PRO 17 -3.967 8.502 5.374 121 H CYS 18 HN CYS 18 -5.367 8.370 1.577 122 HA CYS 18 HA CYS 18 -6.630 10.300 -0.239 123 HB2 CYS 18 2HB CYS 18 -4.222 10.197 -0.451 124 HB3 CYS 18 3HB CYS 18 -4.273 8.446 -0.627 125 H ALA 19 HN ALA 19 -7.212 7.313 0.968 126 HA ALA 19 HA ALA 19 -8.830 5.789 0.388 127 HB1 ALA 19 1HB ALA 19 -9.599 7.835 -1.125 128 HB2 ALA 19 2HB ALA 19 -9.075 6.743 -2.408 129 HB3 ALA 19 3HB ALA 19 -10.321 6.232 -1.269 130 H HIS 20 HN HIS 20 -5.980 5.468 0.041 131 HA HIS 20 HA HIS 20 -6.015 3.358 -2.009 132 HB2 HIS 20 2HB HIS 20 -3.894 5.439 -1.514 133 HB3 HIS 20 3HB HIS 20 -3.525 3.915 -2.317 134 HD2 HIS 20 2HD HIS 20 -6.374 3.970 -4.156 135 HE1 HIS 20 1HE HIS 20 -4.546 7.438 -5.777 136 HE2 HIS 20 2HE HIS 20 -6.369 5.724 -6.058 137 H SER 21 HN SER 21 -6.173 1.617 -0.696 138 HA SER 21 HA SER 21 -4.862 1.384 1.810 139 HB2 SER 21 2HB SER 21 -5.407 -1.194 1.161 140 HB3 SER 21 3HB SER 21 -6.600 -0.079 1.828 141 HG SER 21 HG SER 21 -7.620 -0.108 -0.006 142 H PHE 22 HN PHE 22 -3.132 0.001 2.398 143 HA PHE 22 HA PHE 22 -1.490 -1.173 0.328 144 HB2 PHE 22 2HB PHE 22 -0.453 1.118 2.010 145 HB3 PHE 22 3HB PHE 22 0.537 0.102 0.966 146 HD1 PHE 22 1HD PHE 22 0.046 0.102 -1.516 147 HD2 PHE 22 2HD PHE 22 -1.565 2.987 1.167 148 HE1 PHE 22 1HE PHE 22 -0.412 1.602 -3.412 149 HE2 PHE 22 2HE PHE 22 -2.027 4.491 -0.725 150 HZ PHE 22 HZ PHE 22 -1.452 3.800 -3.018 151 H CYS 23 HN CYS 23 -1.868 -3.102 1.439 152 HA CYS 23 HA CYS 23 -1.775 -3.735 4.051 153 HB2 CYS 23 2HB CYS 23 -1.249 -5.936 3.460 154 HB3 CYS 23 3HB CYS 23 -1.951 -5.280 1.985 155 H GLN 24 HN GLN 24 -0.231 -4.273 5.610 156 HA GLN 24 HA GLN 24 1.896 -2.639 6.001 157 HB2 GLN 24 2HB GLN 24 1.202 -5.350 6.990 158 HB3 GLN 24 3HB GLN 24 2.852 -4.807 7.267 159 HG2 GLN 24 2HG GLN 24 0.641 -2.959 7.973 160 HG3 GLN 24 3HG GLN 24 0.921 -4.360 9.005 161 HE21 GLN 24 1HE2 GLN 24 1.867 -1.218 8.245 162 HE22 GLN 24 2HE2 GLN 24 3.281 -1.135 9.234 163 H LYS 25 HN LYS 25 2.249 -5.983 4.803 164 HA LYS 25 HA LYS 25 4.873 -6.133 4.254 165 HB2 LYS 25 2HB LYS 25 2.951 -6.961 2.101 166 HB3 LYS 25 3HB LYS 25 4.412 -7.773 2.648 167 HG2 LYS 25 2HG LYS 25 3.161 -8.119 4.857 168 HG3 LYS 25 3HG LYS 25 1.713 -7.694 3.942 169 HD2 LYS 25 2HD LYS 25 3.387 -9.657 2.585 170 HD3 LYS 25 3HD LYS 25 2.810 -10.211 4.158 171 HE2 LYS 25 2HE LYS 25 1.196 -10.873 2.541 172 HE3 LYS 25 3HE LYS 25 0.505 -9.526 3.446 173 HZ1 LYS 25 1HZ LYS 25 0.144 -8.569 1.493 174 HZ2 LYS 25 2HZ LYS 25 1.053 -9.730 0.662 175 HZ3 LYS 25 3HZ LYS 25 1.817 -8.375 1.326 176 H CYS 26 HN CYS 26 2.510 -4.328 2.362 177 HA CYS 26 HA CYS 26 4.511 -3.504 0.429 178 HB2 CYS 26 2HB CYS 26 1.562 -2.995 0.745 179 HB3 CYS 26 3HB CYS 26 2.526 -2.080 -0.410 180 H ILE 27 HN ILE 27 2.839 -2.213 3.218 181 HA ILE 27 HA ILE 27 3.548 0.504 2.845 182 HB ILE 27 HB ILE 27 2.110 -0.999 4.777 183 HG12 ILE 27 2HG1 ILE 27 2.524 1.992 4.612 184 HG13 ILE 27 3HG1 ILE 27 1.436 1.088 3.564 185 HG21 ILE 27 1HG2 ILE 27 2.851 0.002 6.862 186 HG22 ILE 27 2HG2 ILE 27 4.152 -0.937 6.134 187 HG23 ILE 27 3HG2 ILE 27 4.166 0.822 6.020 188 HD11 ILE 27 1HD1 ILE 27 0.398 0.279 5.806 189 HD12 ILE 27 2HD1 ILE 27 1.189 1.712 6.464 190 HD13 ILE 27 3HD1 ILE 27 0.004 1.875 5.169 191 H ASP 28 HN ASP 28 5.302 -2.242 3.924 192 HA ASP 28 HA ASP 28 7.214 -0.992 5.577 193 HB2 ASP 28 2HB ASP 28 6.725 -3.518 5.191 194 HB3 ASP 28 3HB ASP 28 7.867 -3.367 3.859 195 H LYS 29 HN LYS 29 6.903 -1.273 2.116 196 HA LYS 29 HA LYS 29 9.586 -0.244 1.655 197 HB2 LYS 29 2HB LYS 29 7.546 -1.611 0.071 198 HB3 LYS 29 3HB LYS 29 8.298 -0.276 -0.791 199 HG2 LYS 29 2HG LYS 29 10.056 -1.538 -1.232 200 HG3 LYS 29 3HG LYS 29 10.349 -1.759 0.495 201 HD2 LYS 29 2HD LYS 29 10.095 -3.939 -0.247 202 HD3 LYS 29 3HD LYS 29 8.471 -3.545 0.323 203 HE2 LYS 29 2HE LYS 29 7.876 -2.937 -2.022 204 HE3 LYS 29 3HE LYS 29 9.459 -3.527 -2.527 205 HZ1 LYS 29 1HZ LYS 29 8.089 -5.444 -0.929 206 HZ2 LYS 29 2HZ LYS 29 8.735 -5.609 -2.483 207 HZ3 LYS 29 3HZ LYS 29 7.166 -5.009 -2.278 208 H TRP 30 HN TRP 30 6.247 0.713 0.856 209 HA TRP 30 HA TRP 30 7.013 3.314 -0.031 210 HB2 TRP 30 2HB TRP 30 4.283 2.289 0.779 211 HB3 TRP 30 3HB TRP 30 4.606 3.768 -0.123 212 HD1 TRP 30 1HD TRP 30 3.745 0.235 -0.648 213 HE1 TRP 30 1HE TRP 30 4.064 -0.429 -3.115 214 HE3 TRP 30 3HE TRP 30 6.436 4.281 -2.237 215 HZ2 TRP 30 2HZ TRP 30 5.294 0.623 -5.428 216 HZ3 TRP 30 3HZ TRP 30 7.146 4.375 -4.591 217 HH2 TRP 30 2HH TRP 30 6.586 2.583 -6.152 218 H SER 31 HN SER 31 4.734 2.593 2.601 219 HA SER 31 HA SER 31 4.285 3.723 4.534 220 HB2 SER 31 2HB SER 31 6.870 2.690 4.644 221 HB3 SER 31 3HB SER 31 7.041 4.345 5.230 222 HG SER 31 HG SER 31 6.494 2.737 6.858 223 H ASP 32 HN ASP 32 3.310 5.611 3.973 224 HA ASP 32 HA ASP 32 3.066 7.812 3.354 225 HB2 ASP 32 2HB ASP 32 4.946 7.687 5.660 226 HB3 ASP 32 3HB ASP 32 4.728 9.248 4.872 227 H ARG 33 HN ARG 33 6.414 8.394 4.144 228 HA ARG 33 HA ARG 33 8.253 8.849 2.847 229 HB2 ARG 33 2HB ARG 33 7.132 7.053 1.292 230 HB3 ARG 33 3HB ARG 33 6.710 8.452 0.313 231 HG2 ARG 33 2HG ARG 33 8.725 7.586 -0.561 232 HG3 ARG 33 3HG ARG 33 9.146 9.059 0.315 233 HD2 ARG 33 2HD ARG 33 9.244 6.820 2.097 234 HD3 ARG 33 3HD ARG 33 10.200 6.468 0.658 235 HE ARG 33 HE ARG 33 10.778 8.419 2.697 236 HH11 ARG 33 1HH1 ARG 33 11.343 7.437 -0.595 237 HH12 ARG 33 2HH1 ARG 33 12.853 8.277 -0.723 238 HH21 ARG 33 1HH2 ARG 33 12.764 9.528 2.540 239 HH22 ARG 33 2HH2 ARG 33 13.661 9.465 1.061 240 H HIS 34 HN HIS 34 5.374 9.909 1.020 241 HA HIS 34 HA HIS 34 6.247 12.687 1.394 242 HB2 HIS 34 2HB HIS 34 6.265 11.239 -1.080 243 HB3 HIS 34 3HB HIS 34 5.054 12.515 -1.172 244 HD2 HIS 34 2HD HIS 34 8.557 12.916 0.592 245 HE1 HIS 34 1HE HIS 34 8.296 15.628 -2.661 246 HE2 HIS 34 2HE HIS 34 9.714 14.801 -0.751 247 H ARG 35 HN ARG 35 3.997 10.637 2.183 248 HA ARG 35 HA ARG 35 1.898 11.004 3.053 249 HB2 ARG 35 2HB ARG 35 2.716 13.544 2.799 250 HB3 ARG 35 3HB ARG 35 1.463 13.538 1.565 251 HG2 ARG 35 2HG ARG 35 -0.209 12.948 3.155 252 HG3 ARG 35 3HG ARG 35 1.005 12.657 4.403 253 HD2 ARG 35 2HD ARG 35 0.600 15.334 3.088 254 HD3 ARG 35 3HD ARG 35 -0.240 14.848 4.559 255 HE ARG 35 HE ARG 35 2.431 15.772 4.365 256 HH11 ARG 35 1HH1 ARG 35 0.426 13.490 6.066 257 HH12 ARG 35 2HH1 ARG 35 1.421 13.475 7.484 258 HH21 ARG 35 1HH2 ARG 35 3.749 15.760 6.227 259 HH22 ARG 35 2HH2 ARG 35 3.310 14.767 7.575 260 H ASN 36 HN ASN 36 2.775 11.124 -0.228 261 HA ASN 36 HA ASN 36 0.033 10.673 -1.149 262 HB2 ASN 36 2HB ASN 36 1.359 10.612 -3.436 263 HB3 ASN 36 3HB ASN 36 0.977 12.143 -2.653 264 HD21 ASN 36 1HD2 ASN 36 3.480 9.658 -2.240 265 HD22 ASN 36 2HD2 ASN 36 4.815 10.754 -2.303 266 H CYS 37 HN CYS 37 -0.080 8.973 -2.998 267 HA CYS 37 HA CYS 37 1.343 6.551 -2.101 268 HB2 CYS 37 2HB CYS 37 -1.151 6.017 -3.491 269 HB3 CYS 37 3HB CYS 37 -0.598 5.441 -1.922 270 HA PRO 38 HA PRO 38 2.816 5.941 -6.189 271 HB2 PRO 38 2HB PRO 38 2.780 3.234 -6.385 272 HB3 PRO 38 3HB PRO 38 3.948 4.109 -5.389 273 HG2 PRO 38 2HG PRO 38 1.416 2.737 -4.573 274 HG3 PRO 38 3HG PRO 38 3.002 2.723 -3.779 275 HD2 PRO 38 2HD PRO 38 0.960 4.288 -2.931 276 HD3 PRO 38 3HD PRO 38 2.661 4.775 -2.786 277 H ILE 39 HN ILE 39 -0.354 5.297 -5.355 278 HA ILE 39 HA ILE 39 -1.126 4.209 -7.945 279 HB ILE 39 HB ILE 39 -2.920 4.974 -5.642 280 HG12 ILE 39 2HG1 ILE 39 -1.152 3.223 -5.117 281 HG13 ILE 39 3HG1 ILE 39 -2.823 2.728 -4.874 282 HG21 ILE 39 1HG2 ILE 39 -4.498 3.419 -6.736 283 HG22 ILE 39 2HG2 ILE 39 -4.095 4.809 -7.743 284 HG23 ILE 39 3HG2 ILE 39 -3.358 3.242 -8.069 285 HD11 ILE 39 1HD1 ILE 39 -2.704 1.138 -6.439 286 HD12 ILE 39 2HD1 ILE 39 -1.755 2.142 -7.535 287 HD13 ILE 39 3HD1 ILE 39 -0.962 1.290 -6.209 288 H CYS 40 HN CYS 40 -0.717 7.227 -6.477 289 HA CYS 40 HA CYS 40 -2.453 8.507 -8.487 290 HB2 CYS 40 2HB CYS 40 -2.080 10.500 -6.723 291 HB3 CYS 40 3HB CYS 40 -3.408 9.351 -6.601 292 H ARG 41 HN ARG 41 0.616 8.756 -6.731 293 HA ARG 41 HA ARG 41 1.772 10.962 -7.777 294 HB2 ARG 41 2HB ARG 41 2.760 8.384 -6.818 295 HB3 ARG 41 3HB ARG 41 3.847 9.151 -7.965 296 HG2 ARG 41 2HG ARG 41 3.282 11.244 -6.360 297 HG3 ARG 41 3HG ARG 41 3.157 9.909 -5.212 298 HD2 ARG 41 2HD ARG 41 5.374 9.950 -5.046 299 HD3 ARG 41 3HD ARG 41 5.449 9.375 -6.710 300 HE ARG 41 HE ARG 41 5.163 12.069 -6.955 301 HH11 ARG 41 1HH1 ARG 41 7.393 9.995 -5.267 302 HH12 ARG 41 2HH1 ARG 41 8.717 11.106 -5.384 303 HH21 ARG 41 1HH2 ARG 41 6.898 13.540 -7.115 304 HH22 ARG 41 2HH2 ARG 41 8.435 13.123 -6.434 305 H LEU 42 HN LEU 42 1.442 7.843 -9.413 306 HA LEU 42 HA LEU 42 2.450 9.078 -11.884 307 HB2 LEU 42 2HB LEU 42 2.128 6.349 -12.329 308 HB3 LEU 42 3HB LEU 42 3.639 7.219 -12.073 309 HG LEU 42 HG LEU 42 2.033 6.073 -9.801 310 HD11 LEU 42 1HD1 LEU 42 4.351 4.526 -10.360 311 HD12 LEU 42 2HD1 LEU 42 3.373 4.619 -11.824 312 HD13 LEU 42 3HD1 LEU 42 2.663 4.017 -10.326 313 HD21 LEU 42 1HD2 LEU 42 3.887 6.482 -8.491 314 HD22 LEU 42 2HD2 LEU 42 3.899 7.874 -9.574 315 HD23 LEU 42 3HD2 LEU 42 4.987 6.517 -9.869 Start of MODEL 5 1 H1 GLU 1 HN GLU 1 -15.076 -6.865 3.724 2 HA GLU 1 HA GLU 1 -14.115 -4.409 4.449 3 HB2 GLU 1 2HB GLU 1 -12.965 -7.141 4.386 4 HB3 GLU 1 3HB GLU 1 -11.824 -5.817 4.579 5 HG2 GLU 1 2HG GLU 1 -13.602 -5.079 6.413 6 HG3 GLU 1 3HG GLU 1 -13.906 -6.815 6.426 7 H GLU 2 HN GLU 2 -11.514 -4.027 3.952 8 HA GLU 2 HA GLU 2 -11.486 -3.384 1.086 9 HB2 GLU 2 2HB GLU 2 -9.679 -2.186 3.176 10 HB3 GLU 2 3HB GLU 2 -10.061 -1.559 1.578 11 HG2 GLU 2 2HG GLU 2 -11.753 -1.563 4.045 12 HG3 GLU 2 3HG GLU 2 -11.254 -0.201 3.043 13 H GLU 3 HN GLU 3 -9.613 -3.727 -0.158 14 HA GLU 3 HA GLU 3 -7.590 -5.496 1.034 15 HB2 GLU 3 2HB GLU 3 -8.798 -5.909 -1.705 16 HB3 GLU 3 3HB GLU 3 -7.619 -6.938 -0.903 17 HG2 GLU 3 2HG GLU 3 -9.705 -6.851 0.890 18 HG3 GLU 3 3HG GLU 3 -10.512 -6.888 -0.676 19 H CYS 4 HN CYS 4 -5.519 -5.364 0.146 20 HA CYS 4 HA CYS 4 -4.594 -2.895 -0.627 21 HB2 CYS 4 2HB CYS 4 -3.286 -4.986 0.135 22 HB3 CYS 4 3HB CYS 4 -3.258 -5.422 -1.570 23 H CYS 5 HN CYS 5 -4.293 -1.810 -2.507 24 HA CYS 5 HA CYS 5 -5.655 -2.870 -4.856 25 HB2 CYS 5 2HB CYS 5 -6.261 -0.624 -4.224 26 HB3 CYS 5 3HB CYS 5 -4.574 -0.124 -4.205 27 HG CYS 5 HG CYS 5 -6.664 -0.510 -6.822 28 H ILE 6 HN ILE 6 -2.601 -2.971 -3.649 29 HA ILE 6 HA ILE 6 -1.314 -2.785 -6.284 30 HB ILE 6 HB ILE 6 -0.249 -2.602 -3.488 31 HG12 ILE 6 2HG1 ILE 6 0.139 -0.925 -5.977 32 HG13 ILE 6 3HG1 ILE 6 -0.947 -0.546 -4.644 33 HG21 ILE 6 1HG2 ILE 6 2.014 -2.480 -4.946 34 HG22 ILE 6 2HG2 ILE 6 1.444 -3.940 -4.138 35 HG23 ILE 6 3HG2 ILE 6 1.119 -3.698 -5.854 36 HD11 ILE 6 1HD1 ILE 6 1.980 -0.271 -4.847 37 HD12 ILE 6 2HD1 ILE 6 0.794 0.730 -4.008 38 HD13 ILE 6 3HD1 ILE 6 1.342 -0.784 -3.286 39 H CYS 7 HN CYS 7 -1.169 -4.823 -3.357 40 HA CYS 7 HA CYS 7 0.035 -7.006 -4.760 41 HB2 CYS 7 2HB CYS 7 -1.343 -7.196 -2.087 42 HB3 CYS 7 3HB CYS 7 0.000 -8.161 -2.694 43 H MET 8 HN MET 8 -3.181 -6.521 -3.300 44 HA MET 8 HA MET 8 -5.236 -7.231 -4.045 45 HB2 MET 8 2HB MET 8 -3.781 -7.429 -6.343 46 HB3 MET 8 3HB MET 8 -4.248 -9.106 -6.090 47 HG2 MET 8 2HG MET 8 -6.605 -7.842 -5.663 48 HG3 MET 8 3HG MET 8 -5.864 -6.789 -6.866 49 HE1 MET 8 1HE MET 8 -4.185 -8.159 -8.403 50 HE2 MET 8 2HE MET 8 -4.487 -9.794 -8.990 51 HE3 MET 8 3HE MET 8 -5.237 -8.415 -9.795 52 H ASP 9 HN ASP 9 -4.330 -8.323 -1.862 53 HA ASP 9 HA ASP 9 -5.625 -10.686 -1.493 54 HB2 ASP 9 2HB ASP 9 -3.150 -11.118 -2.926 55 HB3 ASP 9 3HB ASP 9 -3.126 -11.957 -1.378 56 H GLY 10 HN GLY 10 -3.002 -8.597 -0.675 57 HA2 GLY 10 1HA GLY 10 -2.628 -9.721 1.972 58 HA3 GLY 10 2HA GLY 10 -1.831 -8.298 1.317 59 H ARG 11 HN ARG 11 -5.285 -8.585 1.140 60 HA ARG 11 HA ARG 11 -6.903 -7.157 1.910 61 HB2 ARG 11 2HB ARG 11 -5.549 -7.632 4.567 62 HB3 ARG 11 3HB ARG 11 -7.248 -7.282 4.278 63 HG2 ARG 11 2HG ARG 11 -5.738 -9.814 3.773 64 HG3 ARG 11 3HG ARG 11 -7.210 -9.562 4.715 65 HD2 ARG 11 2HD ARG 11 -8.255 -8.855 2.464 66 HD3 ARG 11 3HD ARG 11 -6.863 -9.660 1.740 67 HE ARG 11 HE ARG 11 -9.120 -10.906 3.029 68 HH11 ARG 11 1HH1 ARG 11 -5.802 -11.268 2.037 69 HH12 ARG 11 2HH1 ARG 11 -5.869 -12.999 1.990 70 HH21 ARG 11 1HH2 ARG 11 -9.220 -13.184 2.971 71 HH22 ARG 11 2HH2 ARG 11 -7.814 -14.088 2.520 72 H ALA 12 HN ALA 12 -6.923 -5.417 4.121 73 HA ALA 12 HA ALA 12 -4.805 -3.472 3.538 74 HB1 ALA 12 1HB ALA 12 -6.530 -1.662 3.475 75 HB2 ALA 12 2HB ALA 12 -6.575 -2.769 2.103 76 HB3 ALA 12 3HB ALA 12 -7.762 -2.922 3.397 77 H ASP 13 HN ASP 13 -3.919 -2.783 5.363 78 HA ASP 13 HA ASP 13 -5.493 -2.959 7.845 79 HB2 ASP 13 2HB ASP 13 -3.190 -4.205 7.423 80 HB3 ASP 13 3HB ASP 13 -2.524 -2.640 7.884 81 H LEU 14 HN LEU 14 -4.038 -0.803 5.657 82 HA LEU 14 HA LEU 14 -4.520 1.417 7.517 83 HB2 LEU 14 2HB LEU 14 -2.002 0.616 6.388 84 HB3 LEU 14 3HB LEU 14 -2.440 2.224 5.813 85 HG LEU 14 HG LEU 14 -2.410 3.127 7.981 86 HD11 LEU 14 1HD1 LEU 14 -3.577 1.702 9.357 87 HD12 LEU 14 2HD1 LEU 14 -1.930 1.474 9.942 88 HD13 LEU 14 3HD1 LEU 14 -2.654 0.285 8.858 89 HD21 LEU 14 1HD2 LEU 14 -0.183 2.551 6.985 90 HD22 LEU 14 2HD2 LEU 14 -0.171 1.110 8.004 91 HD23 LEU 14 3HD2 LEU 14 -0.191 2.714 8.741 92 H ILE 15 HN ILE 15 -5.913 2.820 6.693 93 HA ILE 15 HA ILE 15 -6.327 2.853 3.784 94 HB ILE 15 HB ILE 15 -8.139 3.867 5.979 95 HG12 ILE 15 2HG1 ILE 15 -8.312 1.399 4.236 96 HG13 ILE 15 3HG1 ILE 15 -7.982 1.427 5.965 97 HG21 ILE 15 1HG2 ILE 15 -8.814 3.505 3.072 98 HG22 ILE 15 2HG2 ILE 15 -9.749 4.331 4.317 99 HG23 ILE 15 3HG2 ILE 15 -8.240 5.035 3.737 100 HD11 ILE 15 1HD1 ILE 15 -10.366 2.817 5.684 101 HD12 ILE 15 2HD1 ILE 15 -10.499 1.454 4.573 102 HD13 ILE 15 3HD1 ILE 15 -10.155 1.171 6.279 103 H LEU 16 HN LEU 16 -6.014 4.655 2.601 104 HA LEU 16 HA LEU 16 -4.763 6.924 3.922 105 HB2 LEU 16 2HB LEU 16 -5.029 6.021 1.082 106 HB3 LEU 16 3HB LEU 16 -4.548 7.676 1.450 107 HG LEU 16 HG LEU 16 -3.063 5.121 1.981 108 HD11 LEU 16 1HD1 LEU 16 -1.358 6.099 0.694 109 HD12 LEU 16 2HD1 LEU 16 -2.084 7.702 0.795 110 HD13 LEU 16 3HD1 LEU 16 -2.853 6.446 -0.174 111 HD21 LEU 16 1HD2 LEU 16 -2.819 7.756 3.381 112 HD22 LEU 16 2HD2 LEU 16 -1.399 6.738 3.128 113 HD23 LEU 16 3HD2 LEU 16 -2.772 6.124 4.051 114 HA PRO 17 HA PRO 17 -8.187 9.664 3.750 115 HB2 PRO 17 2HB PRO 17 -6.982 12.022 3.155 116 HB3 PRO 17 3HB PRO 17 -6.836 11.241 4.734 117 HG2 PRO 17 2HG PRO 17 -4.923 11.229 2.431 118 HG3 PRO 17 3HG PRO 17 -4.589 11.421 4.162 119 HD2 PRO 17 2HD PRO 17 -4.230 9.074 2.862 120 HD3 PRO 17 3HD PRO 17 -4.716 9.156 4.567 121 H CYS 18 HN CYS 18 -6.621 8.686 1.024 122 HA CYS 18 HA CYS 18 -8.319 10.335 -0.732 123 HB2 CYS 18 2HB CYS 18 -6.694 9.858 -2.526 124 HB3 CYS 18 3HB CYS 18 -5.949 10.697 -1.169 125 H ALA 19 HN ALA 19 -8.262 7.433 0.687 126 HA ALA 19 HA ALA 19 -9.607 5.601 0.329 127 HB1 ALA 19 1HB ALA 19 -10.053 6.398 -2.522 128 HB2 ALA 19 2HB ALA 19 -11.109 5.493 -1.437 129 HB3 ALA 19 3HB ALA 19 -10.891 7.229 -1.211 130 H HIS 20 HN HIS 20 -6.853 5.504 0.122 131 HA HIS 20 HA HIS 20 -6.507 3.412 -1.916 132 HB2 HIS 20 2HB HIS 20 -4.752 5.770 -1.339 133 HB3 HIS 20 3HB HIS 20 -4.028 4.270 -1.910 134 HD2 HIS 20 2HD HIS 20 -6.872 3.925 -3.961 135 HE1 HIS 20 1HE HIS 20 -4.815 7.053 -5.956 136 HE2 HIS 20 2HE HIS 20 -6.671 5.357 -6.105 137 H SER 21 HN SER 21 -6.580 1.657 -0.615 138 HA SER 21 HA SER 21 -5.294 1.606 1.957 139 HB2 SER 21 2HB SER 21 -5.889 -0.999 1.462 140 HB3 SER 21 3HB SER 21 -7.041 0.165 2.117 141 HG SER 21 HG SER 21 -6.797 -0.820 -0.506 142 H PHE 22 HN PHE 22 -3.666 0.010 2.555 143 HA PHE 22 HA PHE 22 -2.064 -1.191 0.489 144 HB2 PHE 22 2HB PHE 22 -0.896 1.065 2.132 145 HB3 PHE 22 3HB PHE 22 0.002 0.032 1.024 146 HD1 PHE 22 1HD PHE 22 -2.131 2.919 1.358 147 HD2 PHE 22 2HD PHE 22 -0.462 0.155 -1.415 148 HE1 PHE 22 1HE PHE 22 -2.634 4.469 -0.485 149 HE2 PHE 22 2HE PHE 22 -0.961 1.701 -3.263 150 HZ PHE 22 HZ PHE 22 -2.047 3.862 -2.799 151 H CYS 23 HN CYS 23 -1.996 -3.144 1.424 152 HA CYS 23 HA CYS 23 -2.027 -3.725 4.136 153 HB2 CYS 23 2HB CYS 23 -1.451 -5.955 3.551 154 HB3 CYS 23 3HB CYS 23 -2.384 -5.324 2.197 155 H GLN 24 HN GLN 24 -0.401 -4.396 5.600 156 HA GLN 24 HA GLN 24 1.802 -2.762 5.833 157 HB2 GLN 24 2HB GLN 24 0.823 -4.192 7.636 158 HB3 GLN 24 3HB GLN 24 1.616 -5.582 6.905 159 HG2 GLN 24 2HG GLN 24 3.326 -5.143 8.244 160 HG3 GLN 24 3HG GLN 24 3.664 -3.767 7.194 161 HE21 GLN 24 1HE2 GLN 24 2.997 -1.702 7.833 162 HE22 GLN 24 2HE2 GLN 24 2.616 -1.340 9.479 163 H LYS 25 HN LYS 25 1.663 -6.036 4.469 164 HA LYS 25 HA LYS 25 4.197 -6.723 4.003 165 HB2 LYS 25 2HB LYS 25 2.283 -6.732 1.682 166 HB3 LYS 25 3HB LYS 25 3.519 -7.916 2.083 167 HG2 LYS 25 2HG LYS 25 0.878 -7.467 3.439 168 HG3 LYS 25 3HG LYS 25 1.441 -8.909 2.591 169 HD2 LYS 25 2HD LYS 25 3.256 -9.076 4.344 170 HD3 LYS 25 3HD LYS 25 2.386 -7.828 5.238 171 HE2 LYS 25 2HE LYS 25 1.168 -10.440 4.355 172 HE3 LYS 25 3HE LYS 25 1.868 -10.166 5.950 173 HZ1 LYS 25 1HZ LYS 25 0.124 -8.921 6.599 174 HZ2 LYS 25 2HZ LYS 25 -0.698 -9.792 5.405 175 HZ3 LYS 25 3HZ LYS 25 -0.121 -8.236 5.073 176 H CYS 26 HN CYS 26 2.518 -4.841 1.483 177 HA CYS 26 HA CYS 26 4.915 -4.015 0.235 178 HB2 CYS 26 2HB CYS 26 3.422 -2.402 -0.983 179 HB3 CYS 26 3HB CYS 26 2.898 -4.080 -1.060 180 H ILE 27 HN ILE 27 2.749 -2.437 2.543 181 HA ILE 27 HA ILE 27 3.802 0.114 2.559 182 HB ILE 27 HB ILE 27 2.105 -1.419 4.269 183 HG12 ILE 27 2HG1 ILE 27 2.643 1.555 4.115 184 HG13 ILE 27 3HG1 ILE 27 1.515 0.666 3.099 185 HG21 ILE 27 1HG2 ILE 27 3.951 -1.487 5.845 186 HG22 ILE 27 2HG2 ILE 27 4.137 0.263 5.729 187 HG23 ILE 27 3HG2 ILE 27 2.676 -0.423 6.440 188 HD11 ILE 27 1HD1 ILE 27 0.056 1.453 4.631 189 HD12 ILE 27 2HD1 ILE 27 0.540 -0.019 5.474 190 HD13 ILE 27 3HD1 ILE 27 1.266 1.527 5.912 191 H ASP 28 HN ASP 28 5.153 -2.820 3.833 192 HA ASP 28 HA ASP 28 7.177 -1.438 5.385 193 HB2 ASP 28 2HB ASP 28 6.050 -3.742 5.902 194 HB3 ASP 28 3HB ASP 28 7.252 -4.374 4.780 195 H LYS 29 HN LYS 29 6.773 -2.678 2.209 196 HA LYS 29 HA LYS 29 9.560 -3.038 1.628 197 HB2 LYS 29 2HB LYS 29 7.008 -3.195 0.126 198 HB3 LYS 29 3HB LYS 29 8.448 -2.830 -0.817 199 HG2 LYS 29 2HG LYS 29 8.339 -5.128 -0.935 200 HG3 LYS 29 3HG LYS 29 9.470 -4.872 0.395 201 HD2 LYS 29 2HD LYS 29 7.483 -5.067 1.949 202 HD3 LYS 29 3HD LYS 29 6.560 -5.627 0.552 203 HE2 LYS 29 2HE LYS 29 7.561 -7.645 0.540 204 HE3 LYS 29 3HE LYS 29 9.136 -6.979 0.967 205 HZ1 LYS 29 1HZ LYS 29 8.086 -6.651 3.267 206 HZ2 LYS 29 2HZ LYS 29 8.548 -8.214 2.816 207 HZ3 LYS 29 3HZ LYS 29 6.920 -7.761 2.748 208 H TRP 30 HN TRP 30 7.146 -0.684 0.454 209 HA TRP 30 HA TRP 30 9.099 1.040 -0.679 210 HB2 TRP 30 2HB TRP 30 6.312 1.862 0.130 211 HB3 TRP 30 3HB TRP 30 7.302 2.509 -1.175 212 HD1 TRP 30 1HD TRP 30 4.851 -0.257 -0.381 213 HE1 TRP 30 1HE TRP 30 4.325 -1.570 -2.531 214 HE3 TRP 30 3HE TRP 30 8.414 1.751 -3.449 215 HZ2 TRP 30 2HZ TRP 30 5.294 -1.733 -5.178 216 HZ3 TRP 30 3HZ TRP 30 8.548 0.961 -5.776 217 HH2 TRP 30 2HH TRP 30 7.020 -0.745 -6.620 218 H SER 31 HN SER 31 6.916 1.618 2.088 219 HA SER 31 HA SER 31 7.342 2.588 4.127 220 HB2 SER 31 2HB SER 31 9.801 1.673 3.547 221 HB3 SER 31 3HB SER 31 10.120 3.406 3.461 222 HG SER 31 HG SER 31 9.413 1.826 5.645 223 H ASP 32 HN ASP 32 5.948 4.018 2.500 224 HA ASP 32 HA ASP 32 6.991 6.421 1.512 225 HB2 ASP 32 2HB ASP 32 4.528 7.205 1.856 226 HB3 ASP 32 3HB ASP 32 4.872 5.920 0.701 227 H ARG 33 HN ARG 33 7.604 8.262 2.450 228 HA ARG 33 HA ARG 33 7.270 8.510 5.347 229 HB2 ARG 33 2HB ARG 33 9.100 9.922 3.401 230 HB3 ARG 33 3HB ARG 33 9.001 10.315 5.113 231 HG2 ARG 33 2HG ARG 33 10.304 8.606 5.685 232 HG3 ARG 33 3HG ARG 33 9.429 7.482 4.645 233 HD2 ARG 33 2HD ARG 33 10.706 8.868 2.761 234 HD3 ARG 33 3HD ARG 33 11.842 9.112 4.087 235 HE ARG 33 HE ARG 33 11.055 6.369 3.691 236 HH11 ARG 33 1HH1 ARG 33 13.297 8.882 2.810 237 HH12 ARG 33 2HH1 ARG 33 14.536 7.780 2.307 238 HH21 ARG 33 1HH2 ARG 33 12.679 4.909 3.033 239 HH22 ARG 33 2HH2 ARG 33 14.183 5.520 2.434 240 H HIS 34 HN HIS 34 6.982 10.508 2.412 241 HA HIS 34 HA HIS 34 5.656 12.641 3.776 242 HB2 HIS 34 2HB HIS 34 5.934 12.027 0.829 243 HB3 HIS 34 3HB HIS 34 5.239 13.512 1.473 244 HD2 HIS 34 2HD HIS 34 8.045 13.057 3.758 245 HE1 HIS 34 1HE HIS 34 9.818 14.886 0.366 246 HE2 HIS 34 2HE HIS 34 10.137 14.216 2.772 247 H ARG 35 HN ARG 35 4.618 9.626 3.119 248 HA ARG 35 HA ARG 35 2.579 8.619 3.087 249 HB2 ARG 35 2HB ARG 35 2.237 10.600 4.813 250 HB3 ARG 35 3HB ARG 35 1.164 11.204 3.556 251 HG2 ARG 35 2HG ARG 35 0.406 8.579 3.779 252 HG3 ARG 35 3HG ARG 35 0.795 9.019 5.443 253 HD2 ARG 35 2HD ARG 35 -0.629 11.193 4.467 254 HD3 ARG 35 3HD ARG 35 -1.463 9.790 3.800 255 HE ARG 35 HE ARG 35 -2.220 9.298 5.896 256 HH11 ARG 35 1HH1 ARG 35 0.471 11.491 6.157 257 HH12 ARG 35 2HH1 ARG 35 0.289 11.719 7.865 258 HH21 ARG 35 1HH2 ARG 35 -2.470 9.589 8.146 259 HH22 ARG 35 2HH2 ARG 35 -1.383 10.634 8.996 260 H ASN 36 HN ASN 36 3.711 9.756 0.671 261 HA ASN 36 HA ASN 36 1.341 10.583 -0.837 262 HB2 ASN 36 2HB ASN 36 4.286 10.608 -1.515 263 HB3 ASN 36 3HB ASN 36 3.025 11.010 -2.676 264 HD21 ASN 36 1HD2 ASN 36 2.997 11.783 0.745 265 HD22 ASN 36 2HD2 ASN 36 3.087 13.498 0.549 266 H CYS 37 HN CYS 37 0.211 8.706 -1.159 267 HA CYS 37 HA CYS 37 1.100 6.176 -1.667 268 HB2 CYS 37 2HB CYS 37 -1.038 6.068 -3.203 269 HB3 CYS 37 3HB CYS 37 -1.194 6.281 -1.462 270 HA PRO 38 HA PRO 38 3.204 6.215 -5.528 271 HB2 PRO 38 2HB PRO 38 2.852 3.624 -6.258 272 HB3 PRO 38 3HB PRO 38 3.960 4.119 -4.972 273 HG2 PRO 38 2HG PRO 38 1.179 3.029 -4.762 274 HG3 PRO 38 3HG PRO 38 2.613 2.631 -3.797 275 HD2 PRO 38 2HD PRO 38 0.685 4.314 -2.914 276 HD3 PRO 38 3HD PRO 38 2.393 4.500 -2.468 277 H ILE 39 HN ILE 39 -0.121 5.171 -5.308 278 HA ILE 39 HA ILE 39 -0.601 4.953 -8.106 279 HB ILE 39 HB ILE 39 -2.428 5.229 -5.732 280 HG12 ILE 39 2HG1 ILE 39 -2.989 2.929 -7.227 281 HG13 ILE 39 3HG1 ILE 39 -1.233 3.057 -7.236 282 HG21 ILE 39 1HG2 ILE 39 -3.559 6.383 -7.498 283 HG22 ILE 39 2HG2 ILE 39 -3.185 5.098 -8.645 284 HG23 ILE 39 3HG2 ILE 39 -4.303 4.795 -7.316 285 HD11 ILE 39 1HD1 ILE 39 -1.884 1.704 -5.388 286 HD12 ILE 39 2HD1 ILE 39 -1.310 3.249 -4.757 287 HD13 ILE 39 3HD1 ILE 39 -3.041 2.917 -4.839 288 H CYS 40 HN CYS 40 -2.135 7.288 -5.906 289 HA CYS 40 HA CYS 40 -3.019 9.130 -7.660 290 HB2 CYS 40 2HB CYS 40 -1.786 9.509 -4.942 291 HB3 CYS 40 3HB CYS 40 -2.410 10.879 -5.855 292 H ARG 41 HN ARG 41 0.296 9.009 -6.385 293 HA ARG 41 HA ARG 41 1.463 11.211 -7.388 294 HB2 ARG 41 2HB ARG 41 3.265 10.105 -6.679 295 HB3 ARG 41 3HB ARG 41 2.353 8.601 -6.670 296 HG2 ARG 41 2HG ARG 41 2.951 8.172 -8.965 297 HG3 ARG 41 3HG ARG 41 3.762 9.736 -9.076 298 HD2 ARG 41 2HD ARG 41 5.618 8.613 -8.529 299 HD3 ARG 41 3HD ARG 41 4.964 8.606 -6.891 300 HE ARG 41 HE ARG 41 4.551 6.359 -7.096 301 HH11 ARG 41 1HH1 ARG 41 5.235 7.701 -10.235 302 HH12 ARG 41 2HH1 ARG 41 5.322 6.158 -11.019 303 HH21 ARG 41 1HH2 ARG 41 4.663 4.323 -8.118 304 HH22 ARG 41 2HH2 ARG 41 4.996 4.238 -9.815 305 H LEU 42 HN LEU 42 0.728 8.302 -9.282 306 HA LEU 42 HA LEU 42 1.833 9.122 -11.711 307 HB2 LEU 42 2HB LEU 42 -0.335 7.224 -10.938 308 HB3 LEU 42 3HB LEU 42 -0.094 7.607 -12.641 309 HG LEU 42 HG LEU 42 1.954 6.382 -10.792 310 HD11 LEU 42 1HD1 LEU 42 1.662 4.396 -12.218 311 HD12 LEU 42 2HD1 LEU 42 0.337 5.208 -13.050 312 HD13 LEU 42 3HD1 LEU 42 0.194 4.817 -11.336 313 HD21 LEU 42 1HD2 LEU 42 2.060 7.287 -13.649 314 HD22 LEU 42 2HD2 LEU 42 3.112 6.005 -13.052 315 HD23 LEU 42 3HD2 LEU 42 3.191 7.615 -12.337 Start of MODEL 6 1 H1 GLU 1 HN GLU 1 -15.711 -5.508 4.802 2 HA GLU 1 HA GLU 1 -12.946 -5.606 5.369 3 HB2 GLU 1 2HB GLU 1 -14.945 -7.357 4.126 4 HB3 GLU 1 3HB GLU 1 -13.322 -7.566 3.484 5 HG2 GLU 1 2HG GLU 1 -12.702 -8.716 5.266 6 HG3 GLU 1 3HG GLU 1 -13.231 -7.426 6.345 7 H GLU 2 HN GLU 2 -11.397 -4.532 4.356 8 HA GLU 2 HA GLU 2 -11.746 -3.877 1.512 9 HB2 GLU 2 2HB GLU 2 -10.299 -2.563 3.769 10 HB3 GLU 2 3HB GLU 2 -9.688 -2.339 2.136 11 HG2 GLU 2 2HG GLU 2 -12.558 -1.925 2.334 12 HG3 GLU 2 3HG GLU 2 -11.630 -0.836 3.362 13 H GLU 3 HN GLU 3 -9.475 -3.611 0.404 14 HA GLU 3 HA GLU 3 -7.594 -5.680 1.199 15 HB2 GLU 3 2HB GLU 3 -9.024 -5.738 -1.463 16 HB3 GLU 3 3HB GLU 3 -7.640 -6.737 -1.045 17 HG2 GLU 3 2HG GLU 3 -9.233 -7.382 0.988 18 HG3 GLU 3 3HG GLU 3 -10.462 -6.954 -0.201 19 H CYS 4 HN CYS 4 -5.531 -5.375 0.403 20 HA CYS 4 HA CYS 4 -4.595 -2.867 -0.078 21 HB2 CYS 4 2HB CYS 4 -3.211 -4.908 0.381 22 HB3 CYS 4 3HB CYS 4 -3.403 -5.358 -1.310 23 H CYS 5 HN CYS 5 -3.868 -1.725 -1.938 24 HA CYS 5 HA CYS 5 -5.596 -2.155 -4.252 25 HB2 CYS 5 2HB CYS 5 -5.179 0.103 -4.839 26 HB3 CYS 5 3HB CYS 5 -5.379 0.098 -3.091 27 HG CYS 5 HG CYS 5 -3.347 1.728 -3.044 28 H ILE 6 HN ILE 6 -2.213 -2.097 -3.347 29 HA ILE 6 HA ILE 6 -1.276 -2.319 -6.068 30 HB ILE 6 HB ILE 6 0.235 -2.684 -3.479 31 HG12 ILE 6 2HG1 ILE 6 -0.172 -0.290 -5.273 32 HG13 ILE 6 3HG1 ILE 6 -0.593 -0.440 -3.571 33 HG21 ILE 6 1HG2 ILE 6 1.594 -1.915 -5.991 34 HG22 ILE 6 2HG2 ILE 6 2.157 -2.920 -4.657 35 HG23 ILE 6 3HG2 ILE 6 1.049 -3.586 -5.857 36 HD11 ILE 6 1HD1 ILE 6 1.317 0.652 -3.222 37 HD12 ILE 6 2HD1 ILE 6 2.086 -0.908 -3.523 38 HD13 ILE 6 3HD1 ILE 6 1.942 0.271 -4.826 39 H CYS 7 HN CYS 7 -0.818 -4.436 -3.230 40 HA CYS 7 HA CYS 7 -0.228 -6.707 -4.857 41 HB2 CYS 7 2HB CYS 7 -1.051 -6.995 -1.998 42 HB3 CYS 7 3HB CYS 7 0.226 -7.822 -2.884 43 H MET 8 HN MET 8 -3.080 -5.517 -3.182 44 HA MET 8 HA MET 8 -5.186 -6.439 -2.943 45 HB2 MET 8 2HB MET 8 -5.937 -7.058 -5.467 46 HB3 MET 8 3HB MET 8 -5.851 -5.415 -4.846 47 HG2 MET 8 2HG MET 8 -3.702 -5.081 -5.834 48 HG3 MET 8 3HG MET 8 -3.597 -6.779 -6.293 49 HE1 MET 8 1HE MET 8 -3.965 -6.267 -9.735 50 HE2 MET 8 2HE MET 8 -3.300 -4.750 -9.131 51 HE3 MET 8 3HE MET 8 -2.863 -6.274 -8.358 52 H ASP 9 HN ASP 9 -4.511 -8.346 -1.771 53 HA ASP 9 HA ASP 9 -5.322 -10.761 -3.136 54 HB2 ASP 9 2HB ASP 9 -3.357 -11.982 -2.980 55 HB3 ASP 9 3HB ASP 9 -2.747 -10.387 -3.414 56 H GLY 10 HN GLY 10 -4.001 -9.309 -0.185 57 HA2 GLY 10 1HA GLY 10 -5.490 -11.288 1.405 58 HA3 GLY 10 2HA GLY 10 -4.163 -10.299 1.995 59 H ARG 11 HN ARG 11 -4.572 -8.306 2.842 60 HA ARG 11 HA ARG 11 -7.247 -7.173 2.592 61 HB2 ARG 11 2HB ARG 11 -7.153 -6.815 5.173 62 HB3 ARG 11 3HB ARG 11 -7.710 -8.353 4.529 63 HG2 ARG 11 2HG ARG 11 -6.168 -8.587 6.442 64 HG3 ARG 11 3HG ARG 11 -5.584 -9.375 4.975 65 HD2 ARG 11 2HD ARG 11 -3.747 -8.225 5.986 66 HD3 ARG 11 3HD ARG 11 -4.201 -7.355 4.521 67 HE ARG 11 HE ARG 11 -4.683 -5.542 5.816 68 HH11 ARG 11 1HH1 ARG 11 -4.714 -8.384 7.827 69 HH12 ARG 11 2HH1 ARG 11 -4.939 -7.499 9.300 70 HH21 ARG 11 1HH2 ARG 11 -4.979 -4.366 7.747 71 HH22 ARG 11 2HH2 ARG 11 -5.091 -5.213 9.253 72 H ALA 12 HN ALA 12 -7.173 -5.129 4.299 73 HA ALA 12 HA ALA 12 -4.650 -3.711 3.758 74 HB1 ALA 12 1HB ALA 12 -6.070 -1.646 3.405 75 HB2 ALA 12 2HB ALA 12 -6.126 -2.859 2.125 76 HB3 ALA 12 3HB ALA 12 -7.453 -2.734 3.280 77 H ASP 13 HN ASP 13 -3.833 -2.571 5.422 78 HA ASP 13 HA ASP 13 -5.433 -2.462 7.889 79 HB2 ASP 13 2HB ASP 13 -2.976 -3.588 7.531 80 HB3 ASP 13 3HB ASP 13 -2.533 -1.975 8.082 81 H LEU 14 HN LEU 14 -3.654 -0.585 5.578 82 HA LEU 14 HA LEU 14 -4.299 1.851 7.105 83 HB2 LEU 14 2HB LEU 14 -1.812 0.963 5.872 84 HB3 LEU 14 3HB LEU 14 -2.296 2.579 5.360 85 HG LEU 14 HG LEU 14 -2.138 1.849 8.267 86 HD11 LEU 14 1HD1 LEU 14 0.067 1.669 8.172 87 HD12 LEU 14 2HD1 LEU 14 0.155 3.309 7.531 88 HD13 LEU 14 3HD1 LEU 14 0.046 1.936 6.429 89 HD21 LEU 14 1HD2 LEU 14 -3.309 3.913 7.597 90 HD22 LEU 14 2HD2 LEU 14 -1.837 4.468 6.800 91 HD23 LEU 14 3HD2 LEU 14 -1.859 4.235 8.549 92 H ILE 15 HN ILE 15 -6.142 2.515 6.145 93 HA ILE 15 HA ILE 15 -6.276 2.579 3.220 94 HB ILE 15 HB ILE 15 -8.415 2.964 5.313 95 HG12 ILE 15 2HG1 ILE 15 -9.250 0.936 3.733 96 HG13 ILE 15 3HG1 ILE 15 -7.508 0.727 3.594 97 HG21 ILE 15 1HG2 ILE 15 -8.323 3.884 2.596 98 HG22 ILE 15 2HG2 ILE 15 -9.590 2.672 2.787 99 HG23 ILE 15 3HG2 ILE 15 -9.582 4.108 3.811 100 HD11 ILE 15 1HD1 ILE 15 -8.877 0.961 6.250 101 HD12 ILE 15 2HD1 ILE 15 -8.689 -0.579 5.411 102 HD13 ILE 15 3HD1 ILE 15 -7.265 0.343 5.891 103 H LEU 16 HN LEU 16 -4.818 4.353 2.979 104 HA LEU 16 HA LEU 16 -4.810 6.797 4.151 105 HB2 LEU 16 2HB LEU 16 -4.344 5.923 1.341 106 HB3 LEU 16 3HB LEU 16 -4.369 7.648 1.700 107 HG LEU 16 HG LEU 16 -2.564 5.737 3.160 108 HD11 LEU 16 1HD1 LEU 16 -1.175 5.584 1.438 109 HD12 LEU 16 2HD1 LEU 16 -1.222 7.327 1.174 110 HD13 LEU 16 3HD1 LEU 16 -2.435 6.289 0.425 111 HD21 LEU 16 1HD2 LEU 16 -2.893 7.877 4.228 112 HD22 LEU 16 2HD2 LEU 16 -2.534 8.721 2.721 113 HD23 LEU 16 3HD2 LEU 16 -1.269 7.804 3.540 114 HA PRO 17 HA PRO 17 -8.587 8.901 3.400 115 HB2 PRO 17 2HB PRO 17 -7.739 11.458 3.065 116 HB3 PRO 17 3HB PRO 17 -7.736 10.643 4.633 117 HG2 PRO 17 2HG PRO 17 -5.477 11.070 2.715 118 HG3 PRO 17 3HG PRO 17 -5.493 11.238 4.480 119 HD2 PRO 17 2HD PRO 17 -4.494 9.051 3.234 120 HD3 PRO 17 3HD PRO 17 -5.280 8.969 4.825 121 H CYS 18 HN CYS 18 -6.415 8.338 0.990 122 HA CYS 18 HA CYS 18 -7.889 9.888 -1.024 123 HB2 CYS 18 2HB CYS 18 -5.494 10.213 -1.116 124 HB3 CYS 18 3HB CYS 18 -5.220 8.474 -1.162 125 H ALA 19 HN ALA 19 -8.013 6.938 0.381 126 HA ALA 19 HA ALA 19 -9.344 5.139 -0.171 127 HB1 ALA 19 1HB ALA 19 -10.708 5.190 -1.979 128 HB2 ALA 19 2HB ALA 19 -10.225 6.887 -1.988 129 HB3 ALA 19 3HB ALA 19 -9.431 5.739 -3.066 130 H HIS 20 HN HIS 20 -6.334 5.615 -0.631 131 HA HIS 20 HA HIS 20 -5.846 3.259 -2.330 132 HB2 HIS 20 2HB HIS 20 -4.196 5.705 -1.758 133 HB3 HIS 20 3HB HIS 20 -3.438 4.222 -2.331 134 HD2 HIS 20 2HD HIS 20 -5.838 3.526 -4.575 135 HE1 HIS 20 1HE HIS 20 -4.584 7.222 -6.238 136 HE2 HIS 20 2HE HIS 20 -5.899 5.107 -6.621 137 H SER 21 HN SER 21 -6.080 1.669 -0.780 138 HA SER 21 HA SER 21 -4.719 1.826 1.750 139 HB2 SER 21 2HB SER 21 -5.637 -0.830 0.898 140 HB3 SER 21 3HB SER 21 -6.037 0.091 2.348 141 HG SER 21 HG SER 21 -7.517 -0.270 0.180 142 H PHE 22 HN PHE 22 -3.168 0.190 2.470 143 HA PHE 22 HA PHE 22 -1.665 -1.241 0.465 144 HB2 PHE 22 2HB PHE 22 -0.304 0.967 2.022 145 HB3 PHE 22 3HB PHE 22 0.455 -0.118 0.861 146 HD1 PHE 22 1HD PHE 22 -0.164 0.046 -1.550 147 HD2 PHE 22 2HD PHE 22 -1.416 2.922 1.328 148 HE1 PHE 22 1HE PHE 22 -0.655 1.639 -3.360 149 HE2 PHE 22 2HE PHE 22 -1.910 4.518 -0.478 150 HZ PHE 22 HZ PHE 22 -1.529 3.878 -2.825 151 H CYS 23 HN CYS 23 -1.649 -3.150 1.475 152 HA CYS 23 HA CYS 23 -1.701 -3.568 4.237 153 HB2 CYS 23 2HB CYS 23 -1.174 -5.887 3.744 154 HB3 CYS 23 3HB CYS 23 -2.314 -5.275 2.549 155 H GLN 24 HN GLN 24 -0.169 -3.790 5.781 156 HA GLN 24 HA GLN 24 2.181 -2.503 5.803 157 HB2 GLN 24 2HB GLN 24 1.017 -3.914 7.655 158 HB3 GLN 24 3HB GLN 24 2.083 -5.202 7.110 159 HG2 GLN 24 2HG GLN 24 2.923 -3.898 9.057 160 HG3 GLN 24 3HG GLN 24 4.020 -3.957 7.679 161 HE21 GLN 24 1HE2 GLN 24 1.194 -1.959 8.457 162 HE22 GLN 24 2HE2 GLN 24 1.999 -0.443 8.265 163 H LYS 25 HN LYS 25 1.685 -5.754 4.530 164 HA LYS 25 HA LYS 25 4.198 -6.690 4.135 165 HB2 LYS 25 2HB LYS 25 2.230 -6.780 1.866 166 HB3 LYS 25 3HB LYS 25 3.371 -8.015 2.382 167 HG2 LYS 25 2HG LYS 25 1.919 -7.975 4.574 168 HG3 LYS 25 3HG LYS 25 0.698 -7.321 3.479 169 HD2 LYS 25 2HD LYS 25 0.240 -9.405 2.851 170 HD3 LYS 25 3HD LYS 25 1.847 -9.486 2.125 171 HE2 LYS 25 2HE LYS 25 2.780 -10.396 4.127 172 HE3 LYS 25 3HE LYS 25 1.289 -10.103 5.022 173 HZ1 LYS 25 1HZ LYS 25 1.073 -12.307 4.536 174 HZ2 LYS 25 2HZ LYS 25 1.899 -12.197 3.064 175 HZ3 LYS 25 3HZ LYS 25 0.303 -11.649 3.180 176 H CYS 26 HN CYS 26 2.517 -4.797 1.619 177 HA CYS 26 HA CYS 26 4.882 -4.294 0.145 178 HB2 CYS 26 2HB CYS 26 3.422 -2.531 -0.988 179 HB3 CYS 26 3HB CYS 26 2.855 -4.196 -1.066 180 H ILE 27 HN ILE 27 3.007 -2.325 2.422 181 HA ILE 27 HA ILE 27 4.416 0.057 2.216 182 HB ILE 27 HB ILE 27 2.543 -1.098 4.080 183 HG12 ILE 27 2HG1 ILE 27 3.288 1.801 3.669 184 HG13 ILE 27 3HG1 ILE 27 2.286 0.897 2.538 185 HG21 ILE 27 1HG2 ILE 27 4.682 0.646 5.296 186 HG22 ILE 27 2HG2 ILE 27 3.207 0.099 6.092 187 HG23 ILE 27 3HG2 ILE 27 4.443 -1.069 5.627 188 HD11 ILE 27 1HD1 ILE 27 1.551 1.060 5.429 189 HD12 ILE 27 2HD1 ILE 27 1.151 2.367 4.314 190 HD13 ILE 27 3HD1 ILE 27 0.525 0.742 4.031 191 H ASP 28 HN ASP 28 5.372 -2.943 3.608 192 HA ASP 28 HA ASP 28 7.329 -2.006 5.421 193 HB2 ASP 28 2HB ASP 28 6.416 -4.307 5.455 194 HB3 ASP 28 3HB ASP 28 7.246 -4.642 3.937 195 H LYS 29 HN LYS 29 7.678 -3.338 2.131 196 HA LYS 29 HA LYS 29 10.434 -2.744 1.918 197 HB2 LYS 29 2HB LYS 29 9.187 -4.417 0.529 198 HB3 LYS 29 3HB LYS 29 8.454 -3.076 -0.342 199 HG2 LYS 29 2HG LYS 29 10.491 -2.435 -1.301 200 HG3 LYS 29 3HG LYS 29 11.429 -3.402 -0.161 201 HD2 LYS 29 2HD LYS 29 9.490 -4.657 -2.081 202 HD3 LYS 29 3HD LYS 29 11.157 -4.305 -2.541 203 HE2 LYS 29 2HE LYS 29 11.817 -5.606 -0.442 204 HE3 LYS 29 3HE LYS 29 10.150 -6.180 -0.419 205 HZ1 LYS 29 1HZ LYS 29 11.466 -6.428 -2.976 206 HZ2 LYS 29 2HZ LYS 29 10.518 -7.546 -2.133 207 HZ3 LYS 29 3HZ LYS 29 12.156 -7.368 -1.751 208 H TRP 30 HN TRP 30 7.579 -0.852 1.477 209 HA TRP 30 HA TRP 30 9.071 1.262 0.104 210 HB2 TRP 30 2HB TRP 30 6.114 1.045 0.714 211 HB3 TRP 30 3HB TRP 30 6.876 2.326 -0.225 212 HD1 TRP 30 1HD TRP 30 5.111 -0.836 -0.690 213 HE1 TRP 30 1HE TRP 30 5.466 -1.761 -3.065 214 HE3 TRP 30 3HE TRP 30 9.031 2.113 -2.131 215 HZ2 TRP 30 2HZ TRP 30 7.182 -1.303 -5.260 216 HZ3 TRP 30 3HZ TRP 30 9.971 1.805 -4.384 217 HH2 TRP 30 2HH TRP 30 9.065 0.133 -5.914 218 H SER 31 HN SER 31 10.337 2.068 1.771 219 HA SER 31 HA SER 31 9.846 2.565 4.359 220 HB2 SER 31 2HB SER 31 11.641 3.596 2.445 221 HB3 SER 31 3HB SER 31 10.958 4.994 3.274 222 HG SER 31 HG SER 31 12.665 3.055 4.206 223 H ASP 32 HN ASP 32 8.699 3.942 5.633 224 HA ASP 32 HA ASP 32 6.566 5.440 4.318 225 HB2 ASP 32 2HB ASP 32 5.725 5.655 6.729 226 HB3 ASP 32 3HB ASP 32 5.720 4.043 6.019 227 H ARG 33 HN ARG 33 8.584 6.868 3.707 228 HA ARG 33 HA ARG 33 8.848 8.965 5.761 229 HB2 ARG 33 2HB ARG 33 10.769 7.962 3.682 230 HB3 ARG 33 3HB ARG 33 10.926 9.587 4.336 231 HG2 ARG 33 2HG ARG 33 11.598 8.853 6.380 232 HG3 ARG 33 3HG ARG 33 10.681 7.349 6.264 233 HD2 ARG 33 2HD ARG 33 12.973 6.757 6.142 234 HD3 ARG 33 3HD ARG 33 12.327 6.613 4.508 235 HE ARG 33 HE ARG 33 13.470 9.179 4.963 236 HH11 ARG 33 1HH1 ARG 33 14.256 5.860 4.269 237 HH12 ARG 33 2HH1 ARG 33 15.753 6.242 3.484 238 HH21 ARG 33 1HH2 ARG 33 15.438 9.695 3.931 239 HH22 ARG 33 2HH2 ARG 33 16.424 8.424 3.292 240 H HIS 34 HN HIS 34 7.883 8.198 2.544 241 HA HIS 34 HA HIS 34 7.716 11.000 1.752 242 HB2 HIS 34 2HB HIS 34 6.568 8.945 -0.025 243 HB3 HIS 34 3HB HIS 34 7.664 10.273 -0.396 244 HD2 HIS 34 2HD HIS 34 10.372 9.626 -0.375 245 HE1 HIS 34 1HE HIS 34 9.835 5.497 0.440 246 HE2 HIS 34 2HE HIS 34 11.490 7.307 -0.138 247 H ARG 35 HN ARG 35 5.493 11.090 0.202 248 HA ARG 35 HA ARG 35 3.397 11.156 2.204 249 HB2 ARG 35 2HB ARG 35 2.110 12.370 0.498 250 HB3 ARG 35 3HB ARG 35 3.693 13.091 0.753 251 HG2 ARG 35 2HG ARG 35 4.325 11.504 -1.274 252 HG3 ARG 35 3HG ARG 35 2.603 11.687 -1.614 253 HD2 ARG 35 2HD ARG 35 3.157 14.236 -1.188 254 HD3 ARG 35 3HD ARG 35 4.779 13.715 -1.643 255 HE ARG 35 HE ARG 35 2.812 12.812 -3.497 256 HH11 ARG 35 1HH1 ARG 35 4.702 15.577 -2.546 257 HH12 ARG 35 2HH1 ARG 35 4.667 16.305 -4.117 258 HH21 ARG 35 1HH2 ARG 35 2.760 13.761 -5.571 259 HH22 ARG 35 2HH2 ARG 35 3.561 15.272 -5.837 260 H ASN 36 HN ASN 36 4.481 8.648 0.767 261 HA ASN 36 HA ASN 36 3.670 6.776 -0.305 262 HB2 ASN 36 2HB ASN 36 2.591 7.132 2.211 263 HB3 ASN 36 3HB ASN 36 1.173 6.794 1.222 264 HD21 ASN 36 1HD2 ASN 36 4.511 5.612 1.088 265 HD22 ASN 36 2HD2 ASN 36 4.103 3.937 1.207 266 H CYS 37 HN CYS 37 0.913 5.973 -0.539 267 HA CYS 37 HA CYS 37 -0.845 6.094 -1.979 268 HB2 CYS 37 2HB CYS 37 -0.591 8.667 -0.971 269 HB3 CYS 37 3HB CYS 37 -0.628 8.908 -2.715 270 HA PRO 38 HA PRO 38 2.417 6.563 -5.415 271 HB2 PRO 38 2HB PRO 38 3.104 3.946 -5.643 272 HB3 PRO 38 3HB PRO 38 3.949 5.072 -4.573 273 HG2 PRO 38 2HG PRO 38 1.829 3.064 -3.915 274 HG3 PRO 38 3HG PRO 38 3.320 3.446 -3.035 275 HD2 PRO 38 2HD PRO 38 0.898 4.399 -2.284 276 HD3 PRO 38 3HD PRO 38 2.402 5.311 -2.039 277 H ILE 39 HN ILE 39 0.045 6.942 -6.150 278 HA ILE 39 HA ILE 39 -0.462 5.089 -8.293 279 HB ILE 39 HB ILE 39 -2.438 5.370 -6.037 280 HG12 ILE 39 2HG1 ILE 39 -0.956 3.103 -7.336 281 HG13 ILE 39 3HG1 ILE 39 -1.069 3.515 -5.628 282 HG21 ILE 39 1HG2 ILE 39 -3.586 5.790 -8.162 283 HG22 ILE 39 2HG2 ILE 39 -2.956 4.270 -8.796 284 HG23 ILE 39 3HG2 ILE 39 -4.086 4.260 -7.441 285 HD11 ILE 39 1HD1 ILE 39 -3.282 2.379 -7.320 286 HD12 ILE 39 2HD1 ILE 39 -2.319 1.500 -6.133 287 HD13 ILE 39 3HD1 ILE 39 -3.398 2.792 -5.610 288 H CYS 40 HN CYS 40 -1.646 7.856 -6.424 289 HA CYS 40 HA CYS 40 -2.866 8.992 -8.824 290 HB2 CYS 40 2HB CYS 40 -3.550 10.814 -7.125 291 HB3 CYS 40 3HB CYS 40 -4.310 9.231 -6.995 292 H ARG 41 HN ARG 41 -0.172 9.464 -6.650 293 HA ARG 41 HA ARG 41 0.579 12.059 -7.233 294 HB2 ARG 41 2HB ARG 41 2.784 11.471 -6.507 295 HB3 ARG 41 3HB ARG 41 1.641 10.544 -5.542 296 HG2 ARG 41 2HG ARG 41 2.305 8.562 -6.405 297 HG3 ARG 41 3HG ARG 41 2.665 9.247 -7.991 298 HD2 ARG 41 2HD ARG 41 4.813 9.063 -7.401 299 HD3 ARG 41 3HD ARG 41 4.517 10.463 -6.372 300 HE ARG 41 HE ARG 41 3.824 8.078 -5.018 301 HH11 ARG 41 1HH1 ARG 41 6.577 9.930 -6.071 302 HH12 ARG 41 2HH1 ARG 41 7.617 9.344 -4.816 303 HH21 ARG 41 1HH2 ARG 41 5.183 7.298 -3.360 304 HH22 ARG 41 2HH2 ARG 41 6.823 7.846 -3.274 305 H LEU 42 HN LEU 42 0.653 9.276 -9.257 306 HA LEU 42 HA LEU 42 2.004 10.854 -11.343 307 HB2 LEU 42 2HB LEU 42 3.358 9.138 -11.965 308 HB3 LEU 42 3HB LEU 42 3.238 8.810 -10.238 309 HG LEU 42 HG LEU 42 1.308 7.221 -10.923 310 HD11 LEU 42 1HD1 LEU 42 0.845 7.110 -13.088 311 HD12 LEU 42 2HD1 LEU 42 2.444 6.414 -13.352 312 HD13 LEU 42 3HD1 LEU 42 2.208 8.156 -13.482 313 HD21 LEU 42 1HD2 LEU 42 3.190 5.520 -11.668 314 HD22 LEU 42 2HD2 LEU 42 3.084 6.118 -10.012 315 HD23 LEU 42 3HD2 LEU 42 4.246 6.830 -11.135 Start of MODEL 7 1 H1 GLU 1 HN GLU 1 -14.104 -4.002 6.159 2 HA GLU 1 HA GLU 1 -13.899 -5.545 4.227 3 HB2 GLU 1 2HB GLU 1 -15.853 -3.312 3.663 4 HB3 GLU 1 3HB GLU 1 -15.963 -4.979 3.114 5 HG2 GLU 1 2HG GLU 1 -15.994 -5.561 5.628 6 HG3 GLU 1 3HG GLU 1 -16.407 -3.862 5.849 7 H GLU 2 HN GLU 2 -11.629 -4.352 3.715 8 HA GLU 2 HA GLU 2 -11.866 -3.581 0.903 9 HB2 GLU 2 2HB GLU 2 -9.954 -2.097 2.680 10 HB3 GLU 2 3HB GLU 2 -10.537 -1.659 1.081 11 HG2 GLU 2 2HG GLU 2 -11.705 -0.195 2.384 12 HG3 GLU 2 3HG GLU 2 -12.852 -1.530 2.278 13 H GLU 3 HN GLU 3 -9.556 -3.460 -0.079 14 HA GLU 3 HA GLU 3 -7.720 -5.361 1.152 15 HB2 GLU 3 2HB GLU 3 -9.047 -5.763 -1.525 16 HB3 GLU 3 3HB GLU 3 -7.538 -6.555 -1.094 17 HG2 GLU 3 2HG GLU 3 -8.531 -7.956 0.397 18 HG3 GLU 3 3HG GLU 3 -9.820 -6.815 0.781 19 H CYS 4 HN CYS 4 -5.590 -5.246 0.356 20 HA CYS 4 HA CYS 4 -4.452 -2.872 -0.104 21 HB2 CYS 4 2HB CYS 4 -3.235 -5.041 0.145 22 HB3 CYS 4 3HB CYS 4 -3.564 -5.375 -1.552 23 H CYS 5 HN CYS 5 -3.700 -1.668 -1.915 24 HA CYS 5 HA CYS 5 -5.432 -1.960 -4.276 25 HB2 CYS 5 2HB CYS 5 -5.440 0.171 -2.764 26 HB3 CYS 5 3HB CYS 5 -3.951 0.563 -3.616 27 HG CYS 5 HG CYS 5 -7.063 0.200 -4.983 28 H ILE 6 HN ILE 6 -2.831 -3.303 -3.732 29 HA ILE 6 HA ILE 6 -1.512 -2.493 -6.222 30 HB ILE 6 HB ILE 6 -0.021 -3.051 -3.655 31 HG12 ILE 6 2HG1 ILE 6 -0.413 -0.485 -5.208 32 HG13 ILE 6 3HG1 ILE 6 -1.055 -0.846 -3.609 33 HG21 ILE 6 1HG2 ILE 6 1.017 -2.245 -6.369 34 HG22 ILE 6 2HG2 ILE 6 1.981 -2.523 -4.919 35 HG23 ILE 6 3HG2 ILE 6 1.120 -3.863 -5.675 36 HD11 ILE 6 1HD1 ILE 6 1.450 -1.166 -2.985 37 HD12 ILE 6 2HD1 ILE 6 1.730 -0.194 -4.429 38 HD13 ILE 6 3HD1 ILE 6 0.763 0.452 -3.105 39 H CYS 7 HN CYS 7 -0.901 -4.846 -3.611 40 HA CYS 7 HA CYS 7 -0.426 -6.925 -5.570 41 HB2 CYS 7 2HB CYS 7 0.224 -8.300 -3.673 42 HB3 CYS 7 3HB CYS 7 0.994 -6.721 -3.552 43 H MET 8 HN MET 8 -2.943 -5.929 -3.382 44 HA MET 8 HA MET 8 -5.032 -6.722 -2.949 45 HB2 MET 8 2HB MET 8 -5.255 -8.295 -5.418 46 HB3 MET 8 3HB MET 8 -6.262 -6.982 -4.823 47 HG2 MET 8 2HG MET 8 -4.286 -5.469 -5.509 48 HG3 MET 8 3HG MET 8 -3.774 -6.853 -6.471 49 HE1 MET 8 1HE MET 8 -5.706 -6.590 -9.589 50 HE2 MET 8 2HE MET 8 -4.088 -6.349 -8.929 51 HE3 MET 8 3HE MET 8 -5.007 -7.795 -8.506 52 H ASP 9 HN ASP 9 -2.956 -8.279 -1.892 53 HA ASP 9 HA ASP 9 -4.342 -10.816 -1.618 54 HB2 ASP 9 2HB ASP 9 -2.125 -12.052 -1.884 55 HB3 ASP 9 3HB ASP 9 -2.886 -11.469 -3.362 56 H GLY 10 HN GLY 10 -3.809 -8.478 0.061 57 HA2 GLY 10 1HA GLY 10 -2.771 -9.922 2.363 58 HA3 GLY 10 2HA GLY 10 -1.859 -8.497 1.886 59 H ARG 11 HN ARG 11 -5.291 -8.555 1.415 60 HA ARG 11 HA ARG 11 -6.948 -7.231 2.247 61 HB2 ARG 11 2HB ARG 11 -5.523 -8.265 4.655 62 HB3 ARG 11 3HB ARG 11 -6.742 -7.019 4.884 63 HG2 ARG 11 2HG ARG 11 -8.398 -8.473 4.630 64 HG3 ARG 11 3HG ARG 11 -7.692 -9.127 3.150 65 HD2 ARG 11 2HD ARG 11 -7.679 -10.959 4.565 66 HD3 ARG 11 3HD ARG 11 -6.047 -10.319 4.752 67 HE ARG 11 HE ARG 11 -6.523 -9.863 6.940 68 HH11 ARG 11 1HH1 ARG 11 -9.508 -10.342 5.212 69 HH12 ARG 11 2HH1 ARG 11 -10.492 -10.292 6.636 70 HH21 ARG 11 1HH2 ARG 11 -7.809 -9.794 8.822 71 HH22 ARG 11 2HH2 ARG 11 -9.525 -9.978 8.690 72 H ALA 12 HN ALA 12 -7.326 -5.275 3.880 73 HA ALA 12 HA ALA 12 -5.151 -3.354 3.369 74 HB1 ALA 12 1HB ALA 12 -7.106 -1.659 3.559 75 HB2 ALA 12 2HB ALA 12 -6.898 -2.578 2.069 76 HB3 ALA 12 3HB ALA 12 -8.123 -3.063 3.240 77 H ASP 13 HN ASP 13 -4.055 -3.315 5.263 78 HA ASP 13 HA ASP 13 -5.481 -3.235 7.792 79 HB2 ASP 13 2HB ASP 13 -2.999 -4.211 7.008 80 HB3 ASP 13 3HB ASP 13 -2.609 -2.768 7.940 81 H LEU 14 HN LEU 14 -4.482 -1.019 5.498 82 HA LEU 14 HA LEU 14 -4.886 1.179 7.365 83 HB2 LEU 14 2HB LEU 14 -2.318 0.423 6.540 84 HB3 LEU 14 3HB LEU 14 -2.722 1.852 5.590 85 HG LEU 14 HG LEU 14 -3.234 2.043 8.492 86 HD11 LEU 14 1HD1 LEU 14 -1.221 1.368 9.145 87 HD12 LEU 14 2HD1 LEU 14 -0.553 2.742 8.265 88 HD13 LEU 14 3HD1 LEU 14 -0.676 1.169 7.479 89 HD21 LEU 14 1HD2 LEU 14 -1.865 3.869 6.520 90 HD22 LEU 14 2HD2 LEU 14 -2.400 4.286 8.148 91 HD23 LEU 14 3HD2 LEU 14 -3.587 3.896 6.901 92 H ILE 15 HN ILE 15 -6.378 2.440 6.495 93 HA ILE 15 HA ILE 15 -6.578 2.581 3.562 94 HB ILE 15 HB ILE 15 -8.672 3.098 5.673 95 HG12 ILE 15 2HG1 ILE 15 -7.829 0.718 4.513 96 HG13 ILE 15 3HG1 ILE 15 -9.357 0.985 5.347 97 HG21 ILE 15 1HG2 ILE 15 -8.802 3.413 2.679 98 HG22 ILE 15 2HG2 ILE 15 -10.213 3.383 3.736 99 HG23 ILE 15 3HG2 ILE 15 -9.017 4.669 3.899 100 HD11 ILE 15 1HD1 ILE 15 -8.941 1.384 2.396 101 HD12 ILE 15 2HD1 ILE 15 -9.597 -0.078 3.132 102 HD13 ILE 15 3HD1 ILE 15 -10.468 1.448 3.277 103 H LEU 16 HN LEU 16 -5.348 4.283 2.960 104 HA LEU 16 HA LEU 16 -4.943 6.636 4.423 105 HB2 LEU 16 2HB LEU 16 -4.586 5.850 1.569 106 HB3 LEU 16 3HB LEU 16 -4.437 7.549 2.013 107 HG LEU 16 HG LEU 16 -2.800 5.346 3.260 108 HD11 LEU 16 1HD1 LEU 16 -1.735 5.240 1.303 109 HD12 LEU 16 2HD1 LEU 16 -1.107 6.838 1.702 110 HD13 LEU 16 3HD1 LEU 16 -2.538 6.684 0.684 111 HD21 LEU 16 1HD2 LEU 16 -2.427 8.338 3.222 112 HD22 LEU 16 2HD2 LEU 16 -1.406 7.160 4.045 113 HD23 LEU 16 3HD2 LEU 16 -3.068 7.412 4.578 114 HA PRO 17 HA PRO 17 -8.507 9.114 3.781 115 HB2 PRO 17 2HB PRO 17 -7.435 11.586 3.458 116 HB3 PRO 17 3HB PRO 17 -7.470 10.750 5.015 117 HG2 PRO 17 2HG PRO 17 -5.228 10.995 3.046 118 HG3 PRO 17 3HG PRO 17 -5.186 11.137 4.813 119 HD2 PRO 17 2HD PRO 17 -4.425 8.887 3.513 120 HD3 PRO 17 3HD PRO 17 -5.175 8.853 5.122 121 H CYS 18 HN CYS 18 -6.457 8.390 1.309 122 HA CYS 18 HA CYS 18 -7.843 10.092 -0.645 123 HB2 CYS 18 2HB CYS 18 -5.393 10.184 -0.719 124 HB3 CYS 18 3HB CYS 18 -5.326 8.439 -0.946 125 H ALA 19 HN ALA 19 -8.250 7.187 0.731 126 HA ALA 19 HA ALA 19 -9.644 5.451 0.190 127 HB1 ALA 19 1HB ALA 19 -9.843 6.454 -2.628 128 HB2 ALA 19 2HB ALA 19 -11.016 5.523 -1.696 129 HB3 ALA 19 3HB ALA 19 -10.733 7.221 -1.312 130 H HIS 20 HN HIS 20 -6.689 5.614 -0.287 131 HA HIS 20 HA HIS 20 -6.466 3.372 -2.189 132 HB2 HIS 20 2HB HIS 20 -4.685 5.723 -1.683 133 HB3 HIS 20 3HB HIS 20 -3.967 4.207 -2.221 134 HD2 HIS 20 2HD HIS 20 -6.090 3.360 -4.526 135 HE1 HIS 20 1HE HIS 20 -5.335 7.220 -6.119 136 HE2 HIS 20 2HE HIS 20 -6.320 4.944 -6.559 137 H SER 21 HN SER 21 -6.657 1.696 -0.754 138 HA SER 21 HA SER 21 -5.318 1.623 1.760 139 HB2 SER 21 2HB SER 21 -6.217 -0.546 2.012 140 HB3 SER 21 3HB SER 21 -7.418 0.319 1.053 141 HG SER 21 HG SER 21 -6.051 -0.629 -0.785 142 H PHE 22 HN PHE 22 -3.716 -0.040 2.360 143 HA PHE 22 HA PHE 22 -2.066 -1.188 0.315 144 HB2 PHE 22 2HB PHE 22 -0.941 1.081 1.968 145 HB3 PHE 22 3HB PHE 22 -0.015 0.051 0.881 146 HD1 PHE 22 1HD PHE 22 -2.063 2.973 1.177 147 HD2 PHE 22 2HD PHE 22 -0.554 0.102 -1.580 148 HE1 PHE 22 1HE PHE 22 -2.549 4.509 -0.683 149 HE2 PHE 22 2HE PHE 22 -1.037 1.634 -3.444 150 HZ PHE 22 HZ PHE 22 -2.034 3.841 -2.997 151 H CYS 23 HN CYS 23 -2.074 -3.142 1.276 152 HA CYS 23 HA CYS 23 -2.145 -3.774 3.942 153 HB2 CYS 23 2HB CYS 23 -1.358 -5.956 3.359 154 HB3 CYS 23 3HB CYS 23 -2.316 -5.370 2.002 155 H GLN 24 HN GLN 24 -0.470 -4.630 5.378 156 HA GLN 24 HA GLN 24 1.560 -2.813 5.888 157 HB2 GLN 24 2HB GLN 24 1.024 -5.616 6.778 158 HB3 GLN 24 3HB GLN 24 2.556 -4.865 7.199 159 HG2 GLN 24 2HG GLN 24 -0.014 -3.455 7.763 160 HG3 GLN 24 3HG GLN 24 0.564 -4.725 8.840 161 HE21 GLN 24 1HE2 GLN 24 1.114 -1.527 7.616 162 HE22 GLN 24 2HE2 GLN 24 2.311 -1.066 8.773 163 H LYS 25 HN LYS 25 1.888 -6.069 4.473 164 HA LYS 25 HA LYS 25 4.525 -6.273 4.009 165 HB2 LYS 25 2HB LYS 25 2.141 -7.262 2.698 166 HB3 LYS 25 3HB LYS 25 3.435 -7.010 1.534 167 HG2 LYS 25 2HG LYS 25 3.526 -8.724 4.005 168 HG3 LYS 25 3HG LYS 25 3.529 -9.266 2.325 169 HD2 LYS 25 2HD LYS 25 5.668 -7.726 2.194 170 HD3 LYS 25 3HD LYS 25 5.711 -8.028 3.932 171 HE2 LYS 25 2HE LYS 25 5.370 -10.312 2.037 172 HE3 LYS 25 3HE LYS 25 6.971 -9.618 2.286 173 HZ1 LYS 25 1HZ LYS 25 5.723 -10.030 4.778 174 HZ2 LYS 25 2HZ LYS 25 7.146 -10.722 4.181 175 HZ3 LYS 25 3HZ LYS 25 5.655 -11.467 3.886 176 H CYS 26 HN CYS 26 2.364 -4.759 1.601 177 HA CYS 26 HA CYS 26 4.426 -3.695 0.023 178 HB2 CYS 26 2HB CYS 26 1.546 -2.832 0.339 179 HB3 CYS 26 3HB CYS 26 2.631 -2.202 -0.897 180 H ILE 27 HN ILE 27 2.730 -2.428 2.821 181 HA ILE 27 HA ILE 27 3.699 0.234 2.619 182 HB ILE 27 HB ILE 27 2.092 -1.285 4.482 183 HG12 ILE 27 2HG1 ILE 27 2.376 1.710 4.269 184 HG13 ILE 27 3HG1 ILE 27 1.527 0.763 3.052 185 HG21 ILE 27 1HG2 ILE 27 2.687 -0.086 6.524 186 HG22 ILE 27 2HG2 ILE 27 4.032 -1.071 5.949 187 HG23 ILE 27 3HG2 ILE 27 4.043 0.673 5.689 188 HD11 ILE 27 1HD1 ILE 27 0.623 1.688 5.620 189 HD12 ILE 27 2HD1 ILE 27 -0.296 0.994 4.283 190 HD13 ILE 27 3HD1 ILE 27 0.452 -0.063 5.481 191 H ASP 28 HN ASP 28 5.136 -2.701 3.615 192 HA ASP 28 HA ASP 28 7.177 -1.395 5.232 193 HB2 ASP 28 2HB ASP 28 6.080 -3.725 5.675 194 HB3 ASP 28 3HB ASP 28 7.234 -4.297 4.474 195 H LYS 29 HN LYS 29 6.813 -2.992 2.118 196 HA LYS 29 HA LYS 29 9.600 -2.924 1.473 197 HB2 LYS 29 2HB LYS 29 7.174 -3.941 0.292 198 HB3 LYS 29 3HB LYS 29 8.110 -3.069 -0.913 199 HG2 LYS 29 2HG LYS 29 9.764 -4.602 -0.939 200 HG3 LYS 29 3HG LYS 29 9.617 -4.950 0.785 201 HD2 LYS 29 2HD LYS 29 8.671 -6.872 0.123 202 HD3 LYS 29 3HD LYS 29 7.241 -5.887 -0.199 203 HE2 LYS 29 2HE LYS 29 9.412 -6.487 -2.206 204 HE3 LYS 29 3HE LYS 29 7.877 -7.349 -2.096 205 HZ1 LYS 29 1HZ LYS 29 7.575 -4.495 -2.246 206 HZ2 LYS 29 2HZ LYS 29 6.810 -5.711 -3.139 207 HZ3 LYS 29 3HZ LYS 29 8.336 -5.152 -3.608 208 H TRP 30 HN TRP 30 6.887 -1.286 -0.163 209 HA TRP 30 HA TRP 30 8.452 0.604 -1.487 210 HB2 TRP 30 2HB TRP 30 5.557 0.746 -0.621 211 HB3 TRP 30 3HB TRP 30 6.318 1.896 -1.718 212 HD1 TRP 30 1HD TRP 30 4.342 -1.176 -1.782 213 HE1 TRP 30 1HE TRP 30 4.451 -2.303 -4.093 214 HE3 TRP 30 3HE TRP 30 8.291 1.402 -3.758 215 HZ2 TRP 30 2HZ TRP 30 6.006 -2.124 -6.442 216 HZ3 TRP 30 3HZ TRP 30 9.026 0.862 -6.042 217 HH2 TRP 30 2HH TRP 30 7.907 -0.864 -7.356 218 H SER 31 HN SER 31 6.407 1.163 1.388 219 HA SER 31 HA SER 31 6.666 2.547 3.180 220 HB2 SER 31 2HB SER 31 9.219 1.704 2.682 221 HB3 SER 31 3HB SER 31 9.397 3.453 2.550 222 HG SER 31 HG SER 31 8.949 1.900 4.758 223 H ASP 32 HN ASP 32 5.348 3.608 1.135 224 HA ASP 32 HA ASP 32 6.506 6.117 0.295 225 HB2 ASP 32 2HB ASP 32 4.020 4.600 -0.286 226 HB3 ASP 32 3HB ASP 32 3.943 6.349 -0.474 227 H ARG 33 HN ARG 33 6.803 7.442 2.030 228 HA ARG 33 HA ARG 33 4.378 8.204 3.521 229 HB2 ARG 33 2HB ARG 33 7.202 7.817 4.464 230 HB3 ARG 33 3HB ARG 33 6.116 8.902 5.323 231 HG2 ARG 33 2HG ARG 33 4.791 7.201 6.084 232 HG3 ARG 33 3HG ARG 33 5.185 6.142 4.729 233 HD2 ARG 33 2HD ARG 33 6.280 5.175 6.553 234 HD3 ARG 33 3HD ARG 33 7.545 6.067 5.710 235 HE ARG 33 HE ARG 33 6.325 7.633 7.753 236 HH11 ARG 33 1HH1 ARG 33 8.647 5.105 7.182 237 HH12 ARG 33 2HH1 ARG 33 9.570 5.451 8.607 238 HH21 ARG 33 1HH2 ARG 33 7.530 8.099 9.632 239 HH22 ARG 33 2HH2 ARG 33 8.933 7.154 10.001 240 H HIS 34 HN HIS 34 5.093 9.404 1.100 241 HA HIS 34 HA HIS 34 6.367 11.936 1.811 242 HB2 HIS 34 2HB HIS 34 5.663 10.595 -0.777 243 HB3 HIS 34 3HB HIS 34 5.938 12.333 -0.741 244 HD2 HIS 34 2HD HIS 34 7.925 9.147 -1.108 245 HE1 HIS 34 1HE HIS 34 10.710 12.139 0.031 246 HE2 HIS 34 2HE HIS 34 10.413 9.834 -0.940 247 H ARG 35 HN ARG 35 3.606 11.035 2.648 248 HA ARG 35 HA ARG 35 1.672 12.147 3.152 249 HB2 ARG 35 2HB ARG 35 3.275 14.205 2.842 250 HB3 ARG 35 3HB ARG 35 2.380 14.425 1.344 251 HG2 ARG 35 2HG ARG 35 1.073 15.698 2.661 252 HG3 ARG 35 3HG ARG 35 0.329 14.144 3.041 253 HD2 ARG 35 2HD ARG 35 1.879 13.953 4.982 254 HD3 ARG 35 3HD ARG 35 2.441 15.588 4.633 255 HE ARG 35 HE ARG 35 -0.056 14.829 5.859 256 HH11 ARG 35 1HH1 ARG 35 1.690 17.314 4.158 257 HH12 ARG 35 2HH1 ARG 35 0.690 18.601 4.744 258 HH21 ARG 35 1HH2 ARG 35 -1.380 16.515 6.639 259 HH22 ARG 35 2HH2 ARG 35 -1.056 18.146 6.157 260 H ASN 36 HN ASN 36 2.531 10.848 0.361 261 HA ASN 36 HA ASN 36 -0.131 11.232 -0.820 262 HB2 ASN 36 2HB ASN 36 1.831 10.701 -2.868 263 HB3 ASN 36 3HB ASN 36 0.687 12.035 -2.744 264 HD21 ASN 36 1HD2 ASN 36 3.909 11.148 -2.694 265 HD22 ASN 36 2HD2 ASN 36 4.578 12.623 -2.094 266 H CYS 37 HN CYS 37 -0.022 9.503 -2.893 267 HA CYS 37 HA CYS 37 0.625 6.924 -1.619 268 HB2 CYS 37 2HB CYS 37 -1.385 6.580 -3.610 269 HB3 CYS 37 3HB CYS 37 -1.507 6.310 -1.875 270 HA PRO 38 HA PRO 38 3.106 5.921 -5.101 271 HB2 PRO 38 2HB PRO 38 2.810 3.223 -5.168 272 HB3 PRO 38 3HB PRO 38 3.763 4.055 -3.933 273 HG2 PRO 38 2HG PRO 38 0.964 3.006 -3.778 274 HG3 PRO 38 3HG PRO 38 2.267 2.898 -2.580 275 HD2 PRO 38 2HD PRO 38 0.269 4.717 -2.401 276 HD3 PRO 38 3HD PRO 38 1.913 5.044 -1.818 277 H ILE 39 HN ILE 39 -0.196 5.786 -5.175 278 HA ILE 39 HA ILE 39 -0.228 4.863 -7.974 279 HB ILE 39 HB ILE 39 -2.627 4.895 -6.154 280 HG12 ILE 39 2HG1 ILE 39 -0.603 2.710 -6.632 281 HG13 ILE 39 3HG1 ILE 39 -1.139 3.374 -5.093 282 HG21 ILE 39 1HG2 ILE 39 -3.225 4.860 -8.455 283 HG22 ILE 39 2HG2 ILE 39 -2.024 3.620 -8.813 284 HG23 ILE 39 3HG2 ILE 39 -3.440 3.222 -7.841 285 HD11 ILE 39 1HD1 ILE 39 -2.450 1.394 -6.869 286 HD12 ILE 39 2HD1 ILE 39 -2.286 1.411 -5.112 287 HD13 ILE 39 3HD1 ILE 39 -3.468 2.457 -5.900 288 H CYS 40 HN CYS 40 -0.305 7.559 -6.118 289 HA CYS 40 HA CYS 40 -2.099 8.988 -7.969 290 HB2 CYS 40 2HB CYS 40 -1.560 9.290 -5.056 291 HB3 CYS 40 3HB CYS 40 -1.880 10.755 -5.981 292 H ARG 41 HN ARG 41 1.106 8.529 -7.052 293 HA ARG 41 HA ARG 41 2.185 11.109 -7.397 294 HB2 ARG 41 2HB ARG 41 4.332 9.901 -7.808 295 HB3 ARG 41 3HB ARG 41 3.503 9.404 -6.339 296 HG2 ARG 41 2HG ARG 41 3.753 7.315 -7.037 297 HG3 ARG 41 3HG ARG 41 2.544 7.670 -8.273 298 HD2 ARG 41 2HD ARG 41 4.172 7.052 -9.697 299 HD3 ARG 41 3HD ARG 41 4.763 8.692 -9.432 300 HE ARG 41 HE ARG 41 5.954 7.284 -7.456 301 HH11 ARG 41 1HH1 ARG 41 5.734 6.845 -10.903 302 HH12 ARG 41 2HH1 ARG 41 7.271 6.055 -11.032 303 HH21 ARG 41 1HH2 ARG 41 7.979 6.246 -7.613 304 HH22 ARG 41 2HH2 ARG 41 8.546 5.714 -9.161 305 H LEU 42 HN LEU 42 0.762 9.008 -9.619 306 HA LEU 42 HA LEU 42 2.197 10.199 -11.887 307 HB2 LEU 42 2HB LEU 42 0.885 8.418 -13.178 308 HB3 LEU 42 3HB LEU 42 2.222 7.897 -12.156 309 HG LEU 42 HG LEU 42 -0.541 7.851 -11.037 310 HD11 LEU 42 1HD1 LEU 42 -1.283 6.106 -12.237 311 HD12 LEU 42 2HD1 LEU 42 0.320 5.382 -12.369 312 HD13 LEU 42 3HD1 LEU 42 -0.148 6.691 -13.454 313 HD21 LEU 42 1HD2 LEU 42 0.842 5.555 -10.373 314 HD22 LEU 42 2HD2 LEU 42 0.678 7.001 -9.376 315 HD23 LEU 42 3HD2 LEU 42 2.092 6.799 -10.412 Start of MODEL 8 1 H1 GLU 1 HN GLU 1 -10.405 -6.122 7.560 2 HA GLU 1 HA GLU 1 -11.745 -4.480 6.156 3 HB2 GLU 1 2HB GLU 1 -10.000 -4.007 8.267 4 HB3 GLU 1 3HB GLU 1 -9.532 -2.819 7.059 5 HG2 GLU 1 2HG GLU 1 -12.343 -3.211 8.054 6 HG3 GLU 1 3HG GLU 1 -11.219 -2.005 8.678 7 H GLU 2 HN GLU 2 -11.804 -4.061 4.053 8 HA GLU 2 HA GLU 2 -11.183 -3.509 1.934 9 HB2 GLU 2 2HB GLU 2 -9.317 -1.871 3.617 10 HB3 GLU 2 3HB GLU 2 -9.165 -1.855 1.866 11 HG2 GLU 2 2HG GLU 2 -11.862 -1.399 2.995 12 HG3 GLU 2 3HG GLU 2 -10.668 -0.118 3.194 13 H GLU 3 HN GLU 3 -9.039 -3.304 0.472 14 HA GLU 3 HA GLU 3 -7.182 -5.454 1.186 15 HB2 GLU 3 2HB GLU 3 -8.655 -5.299 -1.450 16 HB3 GLU 3 3HB GLU 3 -7.398 -6.460 -1.044 17 HG2 GLU 3 2HG GLU 3 -8.947 -7.125 0.902 18 HG3 GLU 3 3HG GLU 3 -10.197 -6.277 -0.009 19 H CYS 4 HN CYS 4 -5.125 -5.183 0.445 20 HA CYS 4 HA CYS 4 -4.028 -2.767 -0.007 21 HB2 CYS 4 2HB CYS 4 -2.767 -4.901 0.284 22 HB3 CYS 4 3HB CYS 4 -3.092 -5.280 -1.405 23 H CYS 5 HN CYS 5 -3.612 -1.387 -1.689 24 HA CYS 5 HA CYS 5 -5.336 -1.664 -4.003 25 HB2 CYS 5 2HB CYS 5 -4.056 0.517 -2.578 26 HB3 CYS 5 3HB CYS 5 -3.809 0.655 -4.315 27 HG CYS 5 HG CYS 5 -6.759 0.672 -2.608 28 H ILE 6 HN ILE 6 -2.000 -2.038 -3.192 29 HA ILE 6 HA ILE 6 -1.117 -1.944 -5.959 30 HB ILE 6 HB ILE 6 0.539 -2.799 -3.595 31 HG12 ILE 6 2HG1 ILE 6 -0.237 -0.044 -4.510 32 HG13 ILE 6 3HG1 ILE 6 -0.217 -0.699 -2.876 33 HG21 ILE 6 1HG2 ILE 6 1.447 -1.366 -6.069 34 HG22 ILE 6 2HG2 ILE 6 2.398 -2.312 -4.926 35 HG23 ILE 6 3HG2 ILE 6 1.280 -3.121 -6.023 36 HD11 ILE 6 1HD1 ILE 6 2.376 -0.871 -3.388 37 HD12 ILE 6 2HD1 ILE 6 1.978 0.446 -4.492 38 HD13 ILE 6 3HD1 ILE 6 1.629 0.604 -2.771 39 H CYS 7 HN CYS 7 -0.544 -4.347 -3.391 40 HA CYS 7 HA CYS 7 -0.591 -6.456 -5.410 41 HB2 CYS 7 2HB CYS 7 0.523 -7.829 -3.839 42 HB3 CYS 7 3HB CYS 7 1.247 -6.235 -3.653 43 H MET 8 HN MET 8 -3.080 -5.331 -4.935 44 HA MET 8 HA MET 8 -4.797 -6.184 -3.086 45 HB2 MET 8 2HB MET 8 -6.526 -6.430 -4.837 46 HB3 MET 8 3HB MET 8 -5.550 -4.984 -5.053 47 HG2 MET 8 2HG MET 8 -4.157 -6.437 -6.661 48 HG3 MET 8 3HG MET 8 -5.555 -7.509 -6.650 49 HE1 MET 8 1HE MET 8 -6.124 -7.623 -8.712 50 HE2 MET 8 2HE MET 8 -7.695 -6.823 -8.751 51 HE3 MET 8 3HE MET 8 -6.441 -6.364 -9.905 52 H ASP 9 HN ASP 9 -4.272 -8.070 -2.022 53 HA ASP 9 HA ASP 9 -5.144 -10.513 -3.332 54 HB2 ASP 9 2HB ASP 9 -3.181 -11.695 -3.215 55 HB3 ASP 9 3HB ASP 9 -2.528 -10.084 -3.505 56 H GLY 10 HN GLY 10 -3.847 -9.009 -0.394 57 HA2 GLY 10 1HA GLY 10 -5.399 -10.930 1.212 58 HA3 GLY 10 2HA GLY 10 -4.045 -9.975 1.800 59 H ARG 11 HN ARG 11 -4.612 -8.406 3.135 60 HA ARG 11 HA ARG 11 -7.254 -7.149 2.771 61 HB2 ARG 11 2HB ARG 11 -5.709 -7.403 5.356 62 HB3 ARG 11 3HB ARG 11 -7.343 -6.785 5.159 63 HG2 ARG 11 2HG ARG 11 -8.005 -8.842 5.694 64 HG3 ARG 11 3HG ARG 11 -7.519 -9.287 4.057 65 HD2 ARG 11 2HD ARG 11 -6.117 -10.742 4.995 66 HD3 ARG 11 3HD ARG 11 -5.157 -9.351 5.498 67 HE ARG 11 HE ARG 11 -5.711 -9.888 7.634 68 HH11 ARG 11 1HH1 ARG 11 -8.270 -10.982 5.544 69 HH12 ARG 11 2HH1 ARG 11 -9.209 -11.662 6.832 70 HH21 ARG 11 1HH2 ARG 11 -6.937 -10.779 9.339 71 HH22 ARG 11 2HH2 ARG 11 -8.450 -11.544 8.990 72 H ALA 12 HN ALA 12 -6.989 -5.019 4.471 73 HA ALA 12 HA ALA 12 -4.661 -3.525 3.480 74 HB1 ALA 12 1HB ALA 12 -6.102 -2.555 2.036 75 HB2 ALA 12 2HB ALA 12 -7.517 -2.945 3.014 76 HB3 ALA 12 3HB ALA 12 -6.498 -1.571 3.445 77 H ASP 13 HN ASP 13 -3.595 -3.335 5.384 78 HA ASP 13 HA ASP 13 -4.784 -2.964 7.904 79 HB2 ASP 13 2HB ASP 13 -2.527 -3.787 7.758 80 HB3 ASP 13 3HB ASP 13 -2.000 -2.335 6.913 81 H LEU 14 HN LEU 14 -3.531 -0.662 5.533 82 HA LEU 14 HA LEU 14 -4.709 1.513 7.134 83 HB2 LEU 14 2HB LEU 14 -2.177 1.316 5.605 84 HB3 LEU 14 3HB LEU 14 -3.024 2.861 5.571 85 HG LEU 14 HG LEU 14 -2.923 2.144 8.269 86 HD11 LEU 14 1HD1 LEU 14 -1.275 0.481 7.955 87 HD12 LEU 14 2HD1 LEU 14 -0.428 1.909 8.552 88 HD13 LEU 14 3HD1 LEU 14 -0.359 1.495 6.839 89 HD21 LEU 14 1HD2 LEU 14 -1.013 3.993 6.863 90 HD22 LEU 14 2HD2 LEU 14 -1.657 4.122 8.501 91 HD23 LEU 14 3HD2 LEU 14 -2.714 4.387 7.114 92 H ILE 15 HN ILE 15 -5.973 3.032 6.107 93 HA ILE 15 HA ILE 15 -6.500 2.617 3.244 94 HB ILE 15 HB ILE 15 -8.635 3.085 5.328 95 HG12 ILE 15 2HG1 ILE 15 -8.701 0.631 3.704 96 HG13 ILE 15 3HG1 ILE 15 -7.355 0.718 4.834 97 HG21 ILE 15 1HG2 ILE 15 -9.708 2.179 2.888 98 HG22 ILE 15 2HG2 ILE 15 -9.896 3.765 3.635 99 HG23 ILE 15 3HG2 ILE 15 -8.580 3.477 2.497 100 HD11 ILE 15 1HD1 ILE 15 -8.980 -0.334 6.073 101 HD12 ILE 15 2HD1 ILE 15 -9.183 1.350 6.558 102 HD13 ILE 15 3HD1 ILE 15 -10.283 0.632 5.381 103 H LEU 16 HN LEU 16 -5.121 4.473 2.964 104 HA LEU 16 HA LEU 16 -5.238 6.937 4.064 105 HB2 LEU 16 2HB LEU 16 -4.918 6.136 1.190 106 HB3 LEU 16 3HB LEU 16 -4.804 7.821 1.696 107 HG LEU 16 HG LEU 16 -3.033 5.603 2.721 108 HD11 LEU 16 1HD1 LEU 16 -1.500 6.055 1.116 109 HD12 LEU 16 2HD1 LEU 16 -1.992 7.741 0.960 110 HD13 LEU 16 3HD1 LEU 16 -2.949 6.470 0.200 111 HD21 LEU 16 1HD2 LEU 16 -2.120 8.363 2.899 112 HD22 LEU 16 2HD2 LEU 16 -2.133 7.092 4.121 113 HD23 LEU 16 3HD2 LEU 16 -3.582 8.055 3.836 114 HA PRO 17 HA PRO 17 -9.173 8.763 3.401 115 HB2 PRO 17 2HB PRO 17 -8.504 11.375 3.080 116 HB3 PRO 17 3HB PRO 17 -8.425 10.547 4.640 117 HG2 PRO 17 2HG PRO 17 -6.226 11.142 2.699 118 HG3 PRO 17 3HG PRO 17 -6.230 11.293 4.466 119 HD2 PRO 17 2HD PRO 17 -5.103 9.189 3.186 120 HD3 PRO 17 3HD PRO 17 -5.859 9.039 4.784 121 H CYS 18 HN CYS 18 -6.998 8.375 0.958 122 HA CYS 18 HA CYS 18 -8.626 9.815 -1.020 123 HB2 CYS 18 2HB CYS 18 -6.267 10.373 -1.112 124 HB3 CYS 18 3HB CYS 18 -5.834 8.669 -1.218 125 H ALA 19 HN ALA 19 -8.506 6.874 0.354 126 HA ALA 19 HA ALA 19 -9.655 4.961 -0.219 127 HB1 ALA 19 1HB ALA 19 -10.973 4.871 -2.070 128 HB2 ALA 19 2HB ALA 19 -10.698 6.612 -2.016 129 HB3 ALA 19 3HB ALA 19 -9.754 5.605 -3.112 130 H HIS 20 HN HIS 20 -6.719 5.576 -0.468 131 HA HIS 20 HA HIS 20 -5.994 3.318 -2.219 132 HB2 HIS 20 2HB HIS 20 -4.596 5.915 -1.665 133 HB3 HIS 20 3HB HIS 20 -3.671 4.501 -2.160 134 HD2 HIS 20 2HD HIS 20 -5.633 3.408 -4.535 135 HE1 HIS 20 1HE HIS 20 -5.169 7.304 -6.150 136 HE2 HIS 20 2HE HIS 20 -5.926 4.943 -6.596 137 H SER 21 HN SER 21 -6.127 1.730 -0.649 138 HA SER 21 HA SER 21 -4.773 2.030 1.880 139 HB2 SER 21 2HB SER 21 -6.164 -0.331 0.597 140 HB3 SER 21 3HB SER 21 -5.470 -0.356 2.217 141 HG SER 21 HG SER 21 -7.838 0.639 1.390 142 H PHE 22 HN PHE 22 -3.273 0.214 2.596 143 HA PHE 22 HA PHE 22 -1.653 -1.008 0.557 144 HB2 PHE 22 2HB PHE 22 -0.467 1.176 2.282 145 HB3 PHE 22 3HB PHE 22 0.447 0.112 1.217 146 HD1 PHE 22 1HD PHE 22 0.317 0.356 -1.198 147 HD2 PHE 22 2HD PHE 22 -1.783 2.986 1.409 148 HE1 PHE 22 1HE PHE 22 -0.021 1.927 -3.061 149 HE2 PHE 22 2HE PHE 22 -2.124 4.560 -0.450 150 HZ PHE 22 HZ PHE 22 -1.244 4.032 -2.689 151 H CYS 23 HN CYS 23 -1.607 -2.985 1.419 152 HA CYS 23 HA CYS 23 -1.879 -3.740 4.038 153 HB2 CYS 23 2HB CYS 23 -0.969 -5.875 3.427 154 HB3 CYS 23 3HB CYS 23 -1.868 -5.260 2.045 155 H GLN 24 HN GLN 24 -0.033 -5.030 5.240 156 HA GLN 24 HA GLN 24 1.863 -3.057 6.071 157 HB2 GLN 24 2HB GLN 24 0.786 -4.707 7.607 158 HB3 GLN 24 3HB GLN 24 1.733 -5.976 6.842 159 HG2 GLN 24 2HG GLN 24 3.207 -5.590 8.465 160 HG3 GLN 24 3HG GLN 24 3.662 -4.177 7.515 161 HE21 GLN 24 1HE2 GLN 24 3.825 -2.413 8.677 162 HE22 GLN 24 2HE2 GLN 24 2.878 -2.006 10.062 163 H LYS 25 HN LYS 25 1.971 -5.962 4.105 164 HA LYS 25 HA LYS 25 4.698 -6.417 3.978 165 HB2 LYS 25 2HB LYS 25 2.846 -6.658 1.608 166 HB3 LYS 25 3HB LYS 25 4.296 -7.597 1.941 167 HG2 LYS 25 2HG LYS 25 3.002 -8.346 4.067 168 HG3 LYS 25 3HG LYS 25 1.584 -7.804 3.167 169 HD2 LYS 25 2HD LYS 25 3.514 -9.553 1.747 170 HD3 LYS 25 3HD LYS 25 2.521 -10.294 3.004 171 HE2 LYS 25 2HE LYS 25 0.695 -10.239 1.721 172 HE3 LYS 25 3HE LYS 25 0.977 -8.560 1.262 173 HZ1 LYS 25 1HZ LYS 25 1.213 -9.589 -0.740 174 HZ2 LYS 25 2HZ LYS 25 1.828 -11.020 -0.081 175 HZ3 LYS 25 3HZ LYS 25 2.820 -9.656 -0.213 176 H CYS 26 HN CYS 26 2.906 -4.759 1.381 177 HA CYS 26 HA CYS 26 5.079 -3.659 0.089 178 HB2 CYS 26 2HB CYS 26 2.348 -2.385 0.356 179 HB3 CYS 26 3HB CYS 26 3.526 -2.073 -0.914 180 H ILE 27 HN ILE 27 3.287 -2.401 2.851 181 HA ILE 27 HA ILE 27 4.505 0.144 2.935 182 HB ILE 27 HB ILE 27 2.701 -1.380 4.601 183 HG12 ILE 27 2HG1 ILE 27 3.267 1.588 4.586 184 HG13 ILE 27 3HG1 ILE 27 2.300 0.784 3.356 185 HG21 ILE 27 1HG2 ILE 27 4.774 0.272 6.036 186 HG22 ILE 27 2HG2 ILE 27 3.304 -0.380 6.758 187 HG23 ILE 27 3HG2 ILE 27 4.556 -1.472 6.166 188 HD11 ILE 27 1HD1 ILE 27 1.665 0.748 6.293 189 HD12 ILE 27 2HD1 ILE 27 0.973 1.882 5.132 190 HD13 ILE 27 3HD1 ILE 27 0.658 0.153 4.974 191 H ASP 28 HN ASP 28 5.532 -2.995 4.003 192 HA ASP 28 HA ASP 28 7.708 -1.898 5.601 193 HB2 ASP 28 2HB ASP 28 6.232 -4.110 5.980 194 HB3 ASP 28 3HB ASP 28 7.553 -4.812 5.049 195 H LYS 29 HN LYS 29 7.114 -3.120 2.439 196 HA LYS 29 HA LYS 29 9.930 -3.618 1.896 197 HB2 LYS 29 2HB LYS 29 7.364 -4.117 0.477 198 HB3 LYS 29 3HB LYS 29 8.803 -3.905 -0.512 199 HG2 LYS 29 2HG LYS 29 9.445 -5.686 1.601 200 HG3 LYS 29 3HG LYS 29 7.928 -6.216 0.868 201 HD2 LYS 29 2HD LYS 29 9.372 -7.270 -0.538 202 HD3 LYS 29 3HD LYS 29 9.296 -5.711 -1.362 203 HE2 LYS 29 2HE LYS 29 11.338 -6.175 0.771 204 HE3 LYS 29 3HE LYS 29 11.605 -6.811 -0.851 205 HZ1 LYS 29 1HZ LYS 29 11.301 -4.553 -1.716 206 HZ2 LYS 29 2HZ LYS 29 12.602 -4.646 -0.639 207 HZ3 LYS 29 3HZ LYS 29 11.135 -3.966 -0.138 208 H TRP 30 HN TRP 30 7.512 -1.873 -0.039 209 HA TRP 30 HA TRP 30 9.468 0.312 -0.339 210 HB2 TRP 30 2HB TRP 30 9.362 0.113 -2.564 211 HB3 TRP 30 3HB TRP 30 8.410 -1.353 -2.341 212 HD1 TRP 30 1HD TRP 30 5.686 -1.042 -2.418 213 HE1 TRP 30 1HE TRP 30 4.255 0.666 -3.707 214 HE3 TRP 30 3HE TRP 30 9.288 2.448 -3.414 215 HZ2 TRP 30 2HZ TRP 30 4.608 3.162 -4.978 216 HZ3 TRP 30 3HZ TRP 30 8.659 4.467 -4.672 217 HH2 TRP 30 2HH TRP 30 6.366 4.814 -5.437 218 H SER 31 HN SER 31 8.795 2.132 0.565 219 HA SER 31 HA SER 31 6.333 3.357 0.023 220 HB2 SER 31 2HB SER 31 5.182 3.159 2.158 221 HB3 SER 31 3HB SER 31 5.452 1.551 1.486 222 HG SER 31 HG SER 31 7.356 2.637 3.235 223 H ASP 32 HN ASP 32 5.933 4.909 2.254 224 HA ASP 32 HA ASP 32 8.473 5.981 3.140 225 HB2 ASP 32 2HB ASP 32 7.034 8.238 2.159 226 HB3 ASP 32 3HB ASP 32 8.630 7.666 1.682 227 H ARG 33 HN ARG 33 7.770 5.565 5.224 228 HA ARG 33 HA ARG 33 5.427 5.887 6.469 229 HB2 ARG 33 2HB ARG 33 8.222 6.322 7.314 230 HB3 ARG 33 3HB ARG 33 7.002 7.051 8.351 231 HG2 ARG 33 2HG ARG 33 6.408 5.085 9.209 232 HG3 ARG 33 3HG ARG 33 6.366 4.310 7.624 233 HD2 ARG 33 2HD ARG 33 8.040 3.260 9.036 234 HD3 ARG 33 3HD ARG 33 8.808 4.087 7.680 235 HE ARG 33 HE ARG 33 8.720 5.830 9.876 236 HH11 ARG 33 1HH1 ARG 33 10.290 2.898 8.851 237 HH12 ARG 33 2HH1 ARG 33 11.714 3.174 9.798 238 HH21 ARG 33 1HH2 ARG 33 10.589 6.206 11.128 239 HH22 ARG 33 2HH2 ARG 33 11.883 5.056 11.093 240 H HIS 34 HN HIS 34 4.046 7.438 5.689 241 HA HIS 34 HA HIS 34 3.889 9.893 6.899 242 HB2 HIS 34 2HB HIS 34 5.721 9.902 4.607 243 HB3 HIS 34 3HB HIS 34 4.465 11.133 4.514 244 HD2 HIS 34 2HD HIS 34 5.604 10.496 8.110 245 HE1 HIS 34 1HE HIS 34 7.687 13.925 6.732 246 HE2 HIS 34 2HE HIS 34 7.178 12.459 8.715 247 H ARG 35 HN ARG 35 2.279 7.727 5.886 248 HA ARG 35 HA ARG 35 0.413 7.277 4.613 249 HB2 ARG 35 2HB ARG 35 -0.412 10.084 5.288 250 HB3 ARG 35 3HB ARG 35 -1.393 8.625 5.242 251 HG2 ARG 35 2HG ARG 35 -0.588 7.874 7.298 252 HG3 ARG 35 3HG ARG 35 0.806 8.956 7.249 253 HD2 ARG 35 2HD ARG 35 -1.695 10.410 7.114 254 HD3 ARG 35 3HD ARG 35 -1.604 9.399 8.556 255 HE ARG 35 HE ARG 35 -0.051 11.751 7.982 256 HH11 ARG 35 1HH1 ARG 35 -0.198 8.781 9.792 257 HH12 ARG 35 2HH1 ARG 35 0.884 9.329 11.031 258 HH21 ARG 35 1HH2 ARG 35 1.374 12.485 9.606 259 HH22 ARG 35 2HH2 ARG 35 1.777 11.436 10.924 260 H ASN 36 HN ASN 36 2.334 7.884 2.841 261 HA ASN 36 HA ASN 36 1.532 10.048 1.111 262 HB2 ASN 36 2HB ASN 36 3.819 8.283 1.375 263 HB3 ASN 36 3HB ASN 36 3.302 8.413 -0.303 264 HD21 ASN 36 1HD2 ASN 36 4.624 10.072 2.427 265 HD22 ASN 36 2HD2 ASN 36 5.070 11.520 1.596 266 H CYS 37 HN CYS 37 0.880 9.778 -1.101 267 HA CYS 37 HA CYS 37 -0.670 7.309 -1.520 268 HB2 CYS 37 2HB CYS 37 -1.470 10.010 -1.597 269 HB3 CYS 37 3HB CYS 37 -1.455 9.461 -3.269 270 HA PRO 38 HA PRO 38 2.663 7.214 -4.711 271 HB2 PRO 38 2HB PRO 38 3.009 4.526 -4.579 272 HB3 PRO 38 3HB PRO 38 3.825 5.653 -3.490 273 HG2 PRO 38 2HG PRO 38 1.372 4.004 -3.018 274 HG3 PRO 38 3HG PRO 38 2.746 4.299 -1.937 275 HD2 PRO 38 2HD PRO 38 0.394 5.616 -1.695 276 HD3 PRO 38 3HD PRO 38 1.952 6.362 -1.284 277 H ILE 39 HN ILE 39 -0.397 5.660 -4.287 278 HA ILE 39 HA ILE 39 -0.448 4.626 -7.008 279 HB ILE 39 HB ILE 39 -2.633 4.580 -4.924 280 HG12 ILE 39 2HG1 ILE 39 -0.424 3.362 -4.401 281 HG13 ILE 39 3HG1 ILE 39 -1.918 2.438 -4.275 282 HG21 ILE 39 1HG2 ILE 39 -3.801 4.133 -6.818 283 HG22 ILE 39 2HG2 ILE 39 -2.383 3.549 -7.687 284 HG23 ILE 39 3HG2 ILE 39 -3.185 2.511 -6.509 285 HD11 ILE 39 1HD1 ILE 39 -1.301 1.025 -5.882 286 HD12 ILE 39 2HD1 ILE 39 -0.697 2.319 -6.918 287 HD13 ILE 39 3HD1 ILE 39 0.320 1.670 -5.630 288 H CYS 40 HN CYS 40 -0.414 7.565 -6.261 289 HA CYS 40 HA CYS 40 -2.883 8.356 -7.663 290 HB2 CYS 40 2HB CYS 40 -1.523 9.437 -5.318 291 HB3 CYS 40 3HB CYS 40 -1.843 10.665 -6.538 292 H ARG 41 HN ARG 41 0.586 8.535 -7.597 293 HA ARG 41 HA ARG 41 0.528 10.140 -10.068 294 HB2 ARG 41 2HB ARG 41 3.095 10.382 -9.239 295 HB3 ARG 41 3HB ARG 41 1.822 11.527 -8.841 296 HG2 ARG 41 2HG ARG 41 2.459 9.178 -7.087 297 HG3 ARG 41 3HG ARG 41 3.298 10.724 -6.941 298 HD2 ARG 41 2HD ARG 41 0.730 11.557 -6.958 299 HD3 ARG 41 3HD ARG 41 0.547 9.976 -6.198 300 HE ARG 41 HE ARG 41 1.473 10.855 -4.315 301 HH11 ARG 41 1HH1 ARG 41 2.456 12.797 -7.032 302 HH12 ARG 41 2HH1 ARG 41 3.286 13.968 -6.062 303 HH21 ARG 41 1HH2 ARG 41 2.563 12.389 -3.026 304 HH22 ARG 41 2HH2 ARG 41 3.348 13.735 -3.783 305 H LEU 42 HN LEU 42 0.267 7.229 -9.783 306 HA LEU 42 HA LEU 42 2.661 5.899 -10.395 307 HB2 LEU 42 2HB LEU 42 -0.200 5.309 -10.473 308 HB3 LEU 42 3HB LEU 42 0.733 4.440 -11.689 309 HG LEU 42 HG LEU 42 1.204 4.363 -8.708 310 HD11 LEU 42 1HD1 LEU 42 -0.850 3.206 -9.530 311 HD12 LEU 42 2HD1 LEU 42 0.336 2.144 -8.774 312 HD13 LEU 42 3HD1 LEU 42 0.190 2.191 -10.531 313 HD21 LEU 42 1HD2 LEU 42 2.634 2.336 -9.557 314 HD22 LEU 42 2HD2 LEU 42 3.305 3.968 -9.547 315 HD23 LEU 42 3HD2 LEU 42 2.694 3.274 -11.050 Start of MODEL 9 1 H1 GLU 1 HN GLU 1 -14.433 1.136 0.809 2 HA GLU 1 HA GLU 1 -13.664 -1.269 -0.341 3 HB2 GLU 1 2HB GLU 1 -12.978 1.510 -0.620 4 HB3 GLU 1 3HB GLU 1 -11.522 0.530 -0.716 5 HG2 GLU 1 2HG GLU 1 -13.979 0.324 -2.433 6 HG3 GLU 1 3HG GLU 1 -12.361 0.827 -2.920 7 H GLU 2 HN GLU 2 -12.150 -2.767 0.077 8 HA GLU 2 HA GLU 2 -10.163 -2.195 2.170 9 HB2 GLU 2 2HB GLU 2 -12.334 -3.852 2.541 10 HB3 GLU 2 3HB GLU 2 -11.062 -4.978 2.087 11 HG2 GLU 2 2HG GLU 2 -9.784 -4.494 3.943 12 HG3 GLU 2 3HG GLU 2 -10.543 -2.922 4.185 13 H GLU 3 HN GLU 3 -9.048 -4.823 2.106 14 HA GLU 3 HA GLU 3 -7.408 -5.985 1.040 15 HB2 GLU 3 2HB GLU 3 -8.562 -5.347 -1.636 16 HB3 GLU 3 3HB GLU 3 -7.929 -6.868 -1.023 17 HG2 GLU 3 2HG GLU 3 -9.901 -7.359 0.131 18 HG3 GLU 3 3HG GLU 3 -10.480 -5.697 0.024 19 H CYS 4 HN CYS 4 -5.474 -5.758 -0.200 20 HA CYS 4 HA CYS 4 -4.439 -3.124 -0.208 21 HB2 CYS 4 2HB CYS 4 -3.055 -5.142 0.167 22 HB3 CYS 4 3HB CYS 4 -3.302 -5.606 -1.514 23 H CYS 5 HN CYS 5 -4.025 -1.705 -1.851 24 HA CYS 5 HA CYS 5 -5.501 -2.166 -4.324 25 HB2 CYS 5 2HB CYS 5 -4.243 0.314 -3.142 26 HB3 CYS 5 3HB CYS 5 -5.020 0.277 -4.719 27 HG CYS 5 HG CYS 5 -7.211 -1.001 -2.766 28 H ILE 6 HN ILE 6 -2.832 -3.387 -3.648 29 HA ILE 6 HA ILE 6 -1.497 -2.609 -6.142 30 HB ILE 6 HB ILE 6 -0.186 -2.877 -3.444 31 HG12 ILE 6 2HG1 ILE 6 -0.095 -0.706 -5.551 32 HG13 ILE 6 3HG1 ILE 6 -1.050 -0.652 -4.073 33 HG21 ILE 6 1HG2 ILE 6 1.968 -2.591 -4.736 34 HG22 ILE 6 2HG2 ILE 6 1.194 -4.170 -4.861 35 HG23 ILE 6 3HG2 ILE 6 1.049 -3.011 -6.182 36 HD11 ILE 6 1HD1 ILE 6 1.643 0.139 -4.488 37 HD12 ILE 6 2HD1 ILE 6 0.664 0.260 -3.025 38 HD13 ILE 6 3HD1 ILE 6 1.618 -1.191 -3.331 39 H CYS 7 HN CYS 7 -0.584 -4.845 -3.543 40 HA CYS 7 HA CYS 7 -0.080 -6.950 -5.414 41 HB2 CYS 7 2HB CYS 7 0.671 -8.221 -3.549 42 HB3 CYS 7 3HB CYS 7 1.168 -6.561 -3.241 43 H MET 8 HN MET 8 -2.729 -6.035 -3.348 44 HA MET 8 HA MET 8 -4.740 -7.017 -2.873 45 HB2 MET 8 2HB MET 8 -4.948 -8.222 -5.553 46 HB3 MET 8 3HB MET 8 -6.023 -7.094 -4.738 47 HG2 MET 8 2HG MET 8 -4.719 -5.237 -5.378 48 HG3 MET 8 3HG MET 8 -3.383 -6.262 -5.894 49 HE1 MET 8 1HE MET 8 -6.580 -4.745 -6.320 50 HE2 MET 8 2HE MET 8 -6.506 -4.335 -8.033 51 HE3 MET 8 3HE MET 8 -7.456 -5.722 -7.498 52 H ASP 9 HN ASP 9 -2.992 -8.600 -1.744 53 HA ASP 9 HA ASP 9 -3.968 -11.297 -2.364 54 HB2 ASP 9 2HB ASP 9 -1.128 -10.386 -2.195 55 HB3 ASP 9 3HB ASP 9 -1.533 -11.992 -1.597 56 H GLY 10 HN GLY 10 -4.929 -9.547 -0.384 57 HA2 GLY 10 1HA GLY 10 -4.886 -11.206 1.881 58 HA3 GLY 10 2HA GLY 10 -3.756 -9.887 2.146 59 H ARG 11 HN ARG 11 -4.549 -8.140 3.098 60 HA ARG 11 HA ARG 11 -7.296 -7.315 2.573 61 HB2 ARG 11 2HB ARG 11 -7.957 -7.236 4.856 62 HB3 ARG 11 3HB ARG 11 -7.295 -8.842 4.582 63 HG2 ARG 11 2HG ARG 11 -5.587 -6.645 5.682 64 HG3 ARG 11 3HG ARG 11 -6.651 -7.588 6.728 65 HD2 ARG 11 2HD ARG 11 -4.628 -8.829 4.875 66 HD3 ARG 11 3HD ARG 11 -4.273 -8.409 6.550 67 HE ARG 11 HE ARG 11 -6.521 -9.948 6.696 68 HH11 ARG 11 1HH1 ARG 11 -3.341 -10.358 5.339 69 HH12 ARG 11 2HH1 ARG 11 -3.318 -12.074 5.579 70 HH21 ARG 11 1HH2 ARG 11 -6.502 -12.206 7.017 71 HH22 ARG 11 2HH2 ARG 11 -5.117 -13.124 6.532 72 H ALA 12 HN ALA 12 -7.755 -5.137 3.386 73 HA ALA 12 HA ALA 12 -5.498 -3.403 2.960 74 HB1 ALA 12 1HB ALA 12 -8.428 -2.950 3.407 75 HB2 ALA 12 2HB ALA 12 -7.282 -1.608 3.404 76 HB3 ALA 12 3HB ALA 12 -7.459 -2.621 1.971 77 H ASP 13 HN ASP 13 -4.158 -3.831 4.753 78 HA ASP 13 HA ASP 13 -4.942 -3.731 7.437 79 HB2 ASP 13 2HB ASP 13 -2.245 -2.949 6.314 80 HB3 ASP 13 3HB ASP 13 -2.589 -3.477 7.960 81 H LEU 14 HN LEU 14 -4.133 -1.194 5.172 82 HA LEU 14 HA LEU 14 -4.984 0.784 7.161 83 HB2 LEU 14 2HB LEU 14 -2.330 0.467 6.189 84 HB3 LEU 14 3HB LEU 14 -2.979 1.969 5.538 85 HG LEU 14 HG LEU 14 -3.557 1.806 8.342 86 HD11 LEU 14 1HD1 LEU 14 -1.461 1.607 9.330 87 HD12 LEU 14 2HD1 LEU 14 -0.613 1.782 7.794 88 HD13 LEU 14 3HD1 LEU 14 -1.488 0.293 8.153 89 HD21 LEU 14 1HD2 LEU 14 -2.161 3.620 6.442 90 HD22 LEU 14 2HD2 LEU 14 -1.910 3.855 8.172 91 HD23 LEU 14 3HD2 LEU 14 -3.538 3.932 7.498 92 H ILE 15 HN ILE 15 -5.441 2.934 6.119 93 HA ILE 15 HA ILE 15 -6.183 2.739 3.298 94 HB ILE 15 HB ILE 15 -8.155 3.644 5.396 95 HG12 ILE 15 2HG1 ILE 15 -7.694 1.001 4.088 96 HG13 ILE 15 3HG1 ILE 15 -8.209 1.363 5.731 97 HG21 ILE 15 1HG2 ILE 15 -8.207 4.635 3.046 98 HG22 ILE 15 2HG2 ILE 15 -8.700 3.030 2.508 99 HG23 ILE 15 3HG2 ILE 15 -9.701 3.922 3.654 100 HD11 ILE 15 1HD1 ILE 15 -9.924 1.643 3.275 101 HD12 ILE 15 2HD1 ILE 15 -9.966 0.293 4.410 102 HD13 ILE 15 3HD1 ILE 15 -10.428 1.909 4.944 103 H LEU 16 HN LEU 16 -4.849 4.330 2.608 104 HA LEU 16 HA LEU 16 -4.140 6.653 3.948 105 HB2 LEU 16 2HB LEU 16 -4.351 6.082 1.001 106 HB3 LEU 16 3HB LEU 16 -3.653 7.563 1.652 107 HG LEU 16 HG LEU 16 -2.596 4.755 1.919 108 HD11 LEU 16 1HD1 LEU 16 -1.113 7.142 0.903 109 HD12 LEU 16 2HD1 LEU 16 -2.218 6.266 -0.155 110 HD13 LEU 16 3HD1 LEU 16 -0.846 5.431 0.572 111 HD21 LEU 16 1HD2 LEU 16 -0.694 6.018 3.123 112 HD22 LEU 16 2HD2 LEU 16 -2.149 5.610 4.031 113 HD23 LEU 16 3HD2 LEU 16 -1.917 7.251 3.428 114 HA PRO 17 HA PRO 17 -7.599 9.350 3.795 115 HB2 PRO 17 2HB PRO 17 -6.380 11.761 3.523 116 HB3 PRO 17 3HB PRO 17 -6.349 10.832 5.027 117 HG2 PRO 17 2HG PRO 17 -4.262 11.049 2.892 118 HG3 PRO 17 3HG PRO 17 -4.066 11.076 4.654 119 HD2 PRO 17 2HD PRO 17 -3.578 8.866 3.168 120 HD3 PRO 17 3HD PRO 17 -4.197 8.782 4.829 121 H CYS 18 HN CYS 18 -5.810 8.650 1.119 122 HA CYS 18 HA CYS 18 -7.268 10.535 -0.606 123 HB2 CYS 18 2HB CYS 18 -5.604 9.935 -2.342 124 HB3 CYS 18 3HB CYS 18 -4.859 10.626 -0.905 125 H ALA 19 HN ALA 19 -7.776 7.635 0.631 126 HA ALA 19 HA ALA 19 -9.261 5.985 0.071 127 HB1 ALA 19 1HB ALA 19 -9.527 6.902 -2.744 128 HB2 ALA 19 2HB ALA 19 -10.751 6.286 -1.632 129 HB3 ALA 19 3HB ALA 19 -10.159 7.938 -1.464 130 H HIS 20 HN HIS 20 -6.665 5.362 0.066 131 HA HIS 20 HA HIS 20 -6.496 3.380 -2.067 132 HB2 HIS 20 2HB HIS 20 -4.436 5.510 -1.543 133 HB3 HIS 20 3HB HIS 20 -3.995 3.972 -2.278 134 HD2 HIS 20 2HD HIS 20 -6.125 3.563 -4.561 135 HE1 HIS 20 1HE HIS 20 -5.410 7.599 -5.659 136 HE2 HIS 20 2HE HIS 20 -6.429 5.404 -6.354 137 H SER 21 HN SER 21 -6.630 1.631 -0.778 138 HA SER 21 HA SER 21 -5.362 1.478 1.782 139 HB2 SER 21 2HB SER 21 -5.984 -1.129 1.024 140 HB3 SER 21 3HB SER 21 -7.007 -0.042 1.963 141 HG SER 21 HG SER 21 -8.198 0.366 0.232 142 H PHE 22 HN PHE 22 -3.786 -0.184 2.376 143 HA PHE 22 HA PHE 22 -2.153 -1.377 0.344 144 HB2 PHE 22 2HB PHE 22 -1.002 0.902 1.967 145 HB3 PHE 22 3HB PHE 22 -0.078 -0.167 0.917 146 HD1 PHE 22 1HD PHE 22 -0.749 -0.227 -1.564 147 HD2 PHE 22 2HD PHE 22 -1.919 2.855 1.129 148 HE1 PHE 22 1HE PHE 22 -1.183 1.268 -3.469 149 HE2 PHE 22 2HE PHE 22 -2.357 4.354 -0.773 150 HZ PHE 22 HZ PHE 22 -1.989 3.561 -3.075 151 H CYS 23 HN CYS 23 -1.811 -3.306 1.211 152 HA CYS 23 HA CYS 23 -2.011 -3.928 3.930 153 HB2 CYS 23 2HB CYS 23 -1.276 -6.115 3.352 154 HB3 CYS 23 3HB CYS 23 -2.189 -5.523 1.968 155 H GLN 24 HN GLN 24 -0.489 -4.355 5.522 156 HA GLN 24 HA GLN 24 1.588 -2.674 5.921 157 HB2 GLN 24 2HB GLN 24 0.567 -4.629 7.392 158 HB3 GLN 24 3HB GLN 24 1.998 -5.484 6.832 159 HG2 GLN 24 2HG GLN 24 2.210 -2.768 8.068 160 HG3 GLN 24 3HG GLN 24 2.104 -4.219 9.063 161 HE21 GLN 24 1HE2 GLN 24 4.209 -2.096 7.864 162 HE22 GLN 24 2HE2 GLN 24 5.613 -3.091 7.706 163 H LYS 25 HN LYS 25 2.048 -6.009 4.735 164 HA LYS 25 HA LYS 25 4.663 -6.151 4.235 165 HB2 LYS 25 2HB LYS 25 2.314 -7.292 3.014 166 HB3 LYS 25 3HB LYS 25 3.555 -7.023 1.796 167 HG2 LYS 25 2HG LYS 25 5.048 -8.475 2.811 168 HG3 LYS 25 3HG LYS 25 4.231 -8.381 4.372 169 HD2 LYS 25 2HD LYS 25 2.661 -9.456 2.103 170 HD3 LYS 25 3HD LYS 25 3.973 -10.467 2.713 171 HE2 LYS 25 2HE LYS 25 2.488 -9.373 4.908 172 HE3 LYS 25 3HE LYS 25 1.385 -10.156 3.777 173 HZ1 LYS 25 1HZ LYS 25 3.763 -11.683 4.305 174 HZ2 LYS 25 2HZ LYS 25 2.141 -12.165 4.331 175 HZ3 LYS 25 3HZ LYS 25 2.824 -11.419 5.687 176 H CYS 26 HN CYS 26 2.397 -4.601 1.960 177 HA CYS 26 HA CYS 26 4.457 -3.618 0.260 178 HB2 CYS 26 2HB CYS 26 1.527 -2.947 0.531 179 HB3 CYS 26 3HB CYS 26 2.571 -2.173 -0.657 180 H ILE 27 HN ILE 27 2.489 -2.159 2.821 181 HA ILE 27 HA ILE 27 3.278 0.476 2.613 182 HB ILE 27 HB ILE 27 2.056 -1.163 4.639 183 HG12 ILE 27 2HG1 ILE 27 2.068 1.844 4.328 184 HG13 ILE 27 3HG1 ILE 27 1.080 0.766 3.350 185 HG21 ILE 27 1HG2 ILE 27 4.057 -0.823 5.939 186 HG22 ILE 27 2HG2 ILE 27 4.012 0.910 5.619 187 HG23 ILE 27 3HG2 ILE 27 2.757 0.164 6.607 188 HD11 ILE 27 1HD1 ILE 27 0.321 1.943 5.692 189 HD12 ILE 27 2HD1 ILE 27 -0.439 0.530 4.959 190 HD13 ILE 27 3HD1 ILE 27 0.784 0.322 6.211 191 H ASP 28 HN ASP 28 5.012 -2.244 3.991 192 HA ASP 28 HA ASP 28 7.083 -0.649 5.170 193 HB2 ASP 28 2HB ASP 28 6.337 -3.039 5.821 194 HB3 ASP 28 3HB ASP 28 7.359 -3.564 4.485 195 H LYS 29 HN LYS 29 6.699 -2.487 2.178 196 HA LYS 29 HA LYS 29 9.343 -2.226 1.248 197 HB2 LYS 29 2HB LYS 29 7.207 -3.607 0.392 198 HB3 LYS 29 3HB LYS 29 7.133 -2.260 -0.736 199 HG2 LYS 29 2HG LYS 29 9.692 -2.817 -1.034 200 HG3 LYS 29 3HG LYS 29 9.168 -4.404 -0.468 201 HD2 LYS 29 2HD LYS 29 7.259 -3.670 -2.351 202 HD3 LYS 29 3HD LYS 29 8.793 -3.144 -3.047 203 HE2 LYS 29 2HE LYS 29 8.763 -5.296 -3.798 204 HE3 LYS 29 3HE LYS 29 9.560 -5.547 -2.245 205 HZ1 LYS 29 1HZ LYS 29 7.665 -7.093 -2.810 206 HZ2 LYS 29 2HZ LYS 29 6.627 -5.779 -2.567 207 HZ3 LYS 29 3HZ LYS 29 7.588 -6.344 -1.294 208 H TRP 30 HN TRP 30 6.431 -0.397 0.289 209 HA TRP 30 HA TRP 30 8.058 1.619 -1.000 210 HB2 TRP 30 2HB TRP 30 5.067 1.559 -0.547 211 HB3 TRP 30 3HB TRP 30 5.936 2.648 -1.625 212 HD1 TRP 30 1HD TRP 30 4.421 -0.792 -1.470 213 HE1 TRP 30 1HE TRP 30 4.709 -1.964 -3.743 214 HE3 TRP 30 3HE TRP 30 7.658 2.494 -3.673 215 HZ2 TRP 30 2HZ TRP 30 6.122 -1.551 -6.151 216 HZ3 TRP 30 3HZ TRP 30 8.432 2.032 -5.963 217 HH2 TRP 30 2HH TRP 30 7.678 0.050 -7.175 218 H SER 31 HN SER 31 9.181 2.828 0.434 219 HA SER 31 HA SER 31 7.747 4.737 2.010 220 HB2 SER 31 2HB SER 31 8.742 2.311 3.286 221 HB3 SER 31 3HB SER 31 9.420 3.771 4.007 222 HG SER 31 HG SER 31 7.567 4.089 4.919 223 H ASP 32 HN ASP 32 10.957 3.177 1.981 224 HA ASP 32 HA ASP 32 12.296 5.710 2.225 225 HB2 ASP 32 2HB ASP 32 13.311 3.797 3.276 226 HB3 ASP 32 3HB ASP 32 13.323 2.906 1.756 227 H ARG 33 HN ARG 33 11.271 6.638 0.279 228 HA ARG 33 HA ARG 33 12.972 7.039 -1.800 229 HB2 ARG 33 2HB ARG 33 11.727 4.445 -2.025 230 HB3 ARG 33 3HB ARG 33 11.271 5.462 -3.385 231 HG2 ARG 33 2HG ARG 33 13.420 5.607 -4.176 232 HG3 ARG 33 3HG ARG 33 14.138 5.305 -2.593 233 HD2 ARG 33 2HD ARG 33 12.890 2.972 -2.937 234 HD3 ARG 33 3HD ARG 33 13.136 3.399 -4.630 235 HE ARG 33 HE ARG 33 15.142 2.602 -2.733 236 HH11 ARG 33 1HH1 ARG 33 14.524 4.347 -5.682 237 HH12 ARG 33 2HH1 ARG 33 16.147 4.188 -6.268 238 HH21 ARG 33 1HH2 ARG 33 17.281 2.387 -3.495 239 HH22 ARG 33 2HH2 ARG 33 17.714 3.072 -5.025 240 H HIS 34 HN HIS 34 9.734 6.804 -0.644 241 HA HIS 34 HA HIS 34 8.941 9.324 -1.426 242 HB2 HIS 34 2HB HIS 34 8.651 7.306 -3.561 243 HB3 HIS 34 3HB HIS 34 7.218 8.283 -3.257 244 HD2 HIS 34 2HD HIS 34 9.415 10.949 -2.590 245 HE1 HIS 34 1HE HIS 34 9.789 10.644 -6.804 246 HE2 HIS 34 2HE HIS 34 10.259 12.054 -4.772 247 H ARG 35 HN ARG 35 8.268 8.783 0.789 248 HA ARG 35 HA ARG 35 6.440 6.922 1.591 249 HB2 ARG 35 2HB ARG 35 7.374 9.467 2.563 250 HB3 ARG 35 3HB ARG 35 5.653 9.302 2.879 251 HG2 ARG 35 2HG ARG 35 6.359 6.937 3.765 252 HG3 ARG 35 3HG ARG 35 7.936 7.713 3.930 253 HD2 ARG 35 2HD ARG 35 6.017 9.511 4.954 254 HD3 ARG 35 3HD ARG 35 5.637 7.921 5.615 255 HE ARG 35 HE ARG 35 7.749 9.575 6.419 256 HH11 ARG 35 1HH1 ARG 35 7.129 6.243 5.621 257 HH12 ARG 35 2HH1 ARG 35 8.376 5.628 6.656 258 HH21 ARG 35 1HH2 ARG 35 9.393 8.777 7.785 259 HH22 ARG 35 2HH2 ARG 35 9.663 7.069 7.886 260 H ASN 36 HN ASN 36 5.917 9.547 -0.555 261 HA ASN 36 HA ASN 36 3.179 10.008 -0.225 262 HB2 ASN 36 2HB ASN 36 3.220 10.980 -2.431 263 HB3 ASN 36 3HB ASN 36 4.732 11.385 -1.623 264 HD21 ASN 36 1HD2 ASN 36 6.461 11.186 -2.829 265 HD22 ASN 36 2HD2 ASN 36 6.662 10.100 -4.158 266 H CYS 37 HN CYS 37 1.349 9.160 -1.214 267 HA CYS 37 HA CYS 37 1.161 6.422 -1.496 268 HB2 CYS 37 2HB CYS 37 -0.889 7.456 -1.198 269 HB3 CYS 37 3HB CYS 37 -0.549 8.707 -2.389 270 HA PRO 38 HA PRO 38 2.891 5.458 -5.425 271 HB2 PRO 38 2HB PRO 38 1.585 3.130 -5.916 272 HB3 PRO 38 3HB PRO 38 2.883 3.271 -4.725 273 HG2 PRO 38 2HG PRO 38 -0.081 3.280 -4.305 274 HG3 PRO 38 3HG PRO 38 1.179 2.451 -3.371 275 HD2 PRO 38 2HD PRO 38 0.048 4.772 -2.554 276 HD3 PRO 38 3HD PRO 38 1.737 4.354 -2.197 277 H ILE 39 HN ILE 39 -0.622 4.843 -5.239 278 HA ILE 39 HA ILE 39 -1.177 5.033 -7.955 279 HB ILE 39 HB ILE 39 -2.993 5.867 -5.690 280 HG12 ILE 39 2HG1 ILE 39 -2.292 3.632 -5.251 281 HG13 ILE 39 3HG1 ILE 39 -3.885 3.511 -5.990 282 HG21 ILE 39 1HG2 ILE 39 -3.335 6.006 -8.483 283 HG22 ILE 39 2HG2 ILE 39 -4.328 4.668 -7.912 284 HG23 ILE 39 3HG2 ILE 39 -4.540 6.278 -7.226 285 HD11 ILE 39 1HD1 ILE 39 -2.928 1.978 -7.294 286 HD12 ILE 39 2HD1 ILE 39 -2.248 3.357 -8.160 287 HD13 ILE 39 3HD1 ILE 39 -1.298 2.537 -6.921 288 H CYS 40 HN CYS 40 -2.144 7.566 -5.652 289 HA CYS 40 HA CYS 40 -2.691 9.616 -7.274 290 HB2 CYS 40 2HB CYS 40 -1.021 9.792 -4.757 291 HB3 CYS 40 3HB CYS 40 -1.796 11.166 -5.537 292 H ARG 41 HN ARG 41 0.587 8.594 -6.418 293 HA ARG 41 HA ARG 41 2.127 10.571 -7.479 294 HB2 ARG 41 2HB ARG 41 2.537 7.923 -6.683 295 HB3 ARG 41 3HB ARG 41 3.155 7.998 -8.327 296 HG2 ARG 41 2HG ARG 41 4.496 10.000 -7.628 297 HG3 ARG 41 3HG ARG 41 4.004 9.656 -5.968 298 HD2 ARG 41 2HD ARG 41 6.122 8.646 -6.247 299 HD3 ARG 41 3HD ARG 41 4.944 7.336 -6.304 300 HE ARG 41 HE ARG 41 5.297 8.031 -8.914 301 HH11 ARG 41 1HH1 ARG 41 7.420 7.075 -6.325 302 HH12 ARG 41 2HH1 ARG 41 8.580 6.331 -7.376 303 HH21 ARG 41 1HH2 ARG 41 6.817 7.055 -10.307 304 HH22 ARG 41 2HH2 ARG 41 8.237 6.322 -9.640 305 H LEU 42 HN LEU 42 0.758 7.831 -9.293 306 HA LEU 42 HA LEU 42 0.885 9.474 -11.719 307 HB2 LEU 42 2HB LEU 42 2.163 8.050 -12.881 308 HB3 LEU 42 3HB LEU 42 2.691 7.505 -11.290 309 HG LEU 42 HG LEU 42 0.584 5.879 -11.640 310 HD11 LEU 42 1HD1 LEU 42 -0.176 5.863 -13.721 311 HD12 LEU 42 2HD1 LEU 42 1.406 5.309 -14.263 312 HD13 LEU 42 3HD1 LEU 42 1.044 7.033 -14.219 313 HD21 LEU 42 1HD2 LEU 42 2.537 4.837 -11.064 314 HD22 LEU 42 2HD2 LEU 42 3.473 5.650 -12.317 315 HD23 LEU 42 3HD2 LEU 42 2.396 4.319 -12.743 Start of MODEL 10 1 H1 GLU 1 HN GLU 1 -13.566 -3.388 6.357 2 HA GLU 1 HA GLU 1 -11.836 -4.869 5.677 3 HB2 GLU 1 2HB GLU 1 -14.428 -5.762 5.807 4 HB3 GLU 1 3HB GLU 1 -13.918 -6.346 4.230 5 HG2 GLU 1 2HG GLU 1 -11.990 -6.815 6.385 6 HG3 GLU 1 3HG GLU 1 -13.530 -7.654 6.571 7 H GLU 2 HN GLU 2 -11.438 -2.879 3.928 8 HA GLU 2 HA GLU 2 -11.816 -3.674 1.205 9 HB2 GLU 2 2HB GLU 2 -10.059 -1.545 2.436 10 HB3 GLU 2 3HB GLU 2 -10.294 -1.761 0.706 11 HG2 GLU 2 2HG GLU 2 -12.168 -0.716 2.760 12 HG3 GLU 2 3HG GLU 2 -11.797 -0.100 1.151 13 H GLU 3 HN GLU 3 -10.005 -3.985 -0.316 14 HA GLU 3 HA GLU 3 -7.872 -5.593 0.927 15 HB2 GLU 3 2HB GLU 3 -8.845 -5.835 -1.918 16 HB3 GLU 3 3HB GLU 3 -7.818 -6.953 -1.032 17 HG2 GLU 3 2HG GLU 3 -9.558 -7.890 0.090 18 HG3 GLU 3 3HG GLU 3 -10.522 -6.414 0.054 19 H CYS 4 HN CYS 4 -5.756 -5.369 0.217 20 HA CYS 4 HA CYS 4 -4.779 -2.881 -0.335 21 HB2 CYS 4 2HB CYS 4 -3.424 -4.860 0.352 22 HB3 CYS 4 3HB CYS 4 -3.527 -5.460 -1.300 23 H CYS 5 HN CYS 5 -4.595 -1.582 -2.055 24 HA CYS 5 HA CYS 5 -5.710 -2.506 -4.587 25 HB2 CYS 5 2HB CYS 5 -5.913 -0.116 -3.177 26 HB3 CYS 5 3HB CYS 5 -4.847 0.273 -4.521 27 HG CYS 5 HG CYS 5 -6.943 -1.167 -6.205 28 H ILE 6 HN ILE 6 -3.235 -3.612 -4.009 29 HA ILE 6 HA ILE 6 -1.661 -2.546 -6.221 30 HB ILE 6 HB ILE 6 -0.613 -2.857 -3.416 31 HG12 ILE 6 2HG1 ILE 6 -0.410 -0.610 -5.434 32 HG13 ILE 6 3HG1 ILE 6 -1.530 -0.659 -4.076 33 HG21 ILE 6 1HG2 ILE 6 1.270 -3.699 -4.251 34 HG22 ILE 6 2HG2 ILE 6 0.729 -3.439 -5.910 35 HG23 ILE 6 3HG2 ILE 6 1.529 -2.136 -5.028 36 HD11 ILE 6 1HD1 ILE 6 0.044 -0.061 -2.595 37 HD12 ILE 6 2HD1 ILE 6 1.303 -1.009 -3.388 38 HD13 ILE 6 3HD1 ILE 6 0.857 0.574 -4.026 39 H CYS 7 HN CYS 7 -1.203 -4.933 -3.608 40 HA CYS 7 HA CYS 7 -0.308 -6.894 -5.554 41 HB2 CYS 7 2HB CYS 7 0.147 -8.298 -3.550 42 HB3 CYS 7 3HB CYS 7 0.950 -6.732 -3.493 43 H MET 8 HN MET 8 -3.107 -6.194 -3.607 44 HA MET 8 HA MET 8 -5.220 -7.047 -3.648 45 HB2 MET 8 2HB MET 8 -4.613 -9.092 -5.712 46 HB3 MET 8 3HB MET 8 -5.992 -8.010 -5.571 47 HG2 MET 8 2HG MET 8 -4.123 -6.200 -6.113 48 HG3 MET 8 3HG MET 8 -3.375 -7.596 -6.886 49 HE1 MET 8 1HE MET 8 -4.747 -9.167 -8.571 50 HE2 MET 8 2HE MET 8 -6.259 -9.141 -7.663 51 HE3 MET 8 3HE MET 8 -6.246 -8.685 -9.369 52 H ASP 9 HN ASP 9 -2.632 -8.487 -2.532 53 HA ASP 9 HA ASP 9 -4.140 -10.781 -1.492 54 HB2 ASP 9 2HB ASP 9 -1.258 -10.891 -2.411 55 HB3 ASP 9 3HB ASP 9 -2.151 -12.208 -1.657 56 H GLY 10 HN GLY 10 -4.044 -8.525 -0.071 57 HA2 GLY 10 1HA GLY 10 -2.607 -9.324 2.280 58 HA3 GLY 10 2HA GLY 10 -1.921 -7.889 1.533 59 H ARG 11 HN ARG 11 -5.332 -8.495 1.317 60 HA ARG 11 HA ARG 11 -7.075 -7.132 1.926 61 HB2 ARG 11 2HB ARG 11 -5.836 -7.332 4.667 62 HB3 ARG 11 3HB ARG 11 -7.541 -7.211 4.256 63 HG2 ARG 11 2HG ARG 11 -6.014 -9.550 3.246 64 HG3 ARG 11 3HG ARG 11 -6.449 -9.498 4.955 65 HD2 ARG 11 2HD ARG 11 -8.399 -10.382 4.308 66 HD3 ARG 11 3HD ARG 11 -8.783 -8.761 3.730 67 HE ARG 11 HE ARG 11 -7.516 -9.816 1.618 68 HH11 ARG 11 1HH1 ARG 11 -10.080 -11.034 3.633 69 HH12 ARG 11 2HH1 ARG 11 -10.803 -11.974 2.370 70 HH21 ARG 11 1HH2 ARG 11 -8.458 -11.049 -0.054 71 HH22 ARG 11 2HH2 ARG 11 -9.879 -11.982 0.273 72 H ALA 12 HN ALA 12 -7.149 -5.353 4.217 73 HA ALA 12 HA ALA 12 -5.347 -3.206 3.312 74 HB1 ALA 12 1HB ALA 12 -7.513 -2.751 2.366 75 HB2 ALA 12 2HB ALA 12 -8.285 -2.959 3.938 76 HB3 ALA 12 3HB ALA 12 -7.197 -1.599 3.663 77 H ASP 13 HN ASP 13 -3.988 -2.891 4.956 78 HA ASP 13 HA ASP 13 -5.020 -3.005 7.703 79 HB2 ASP 13 2HB ASP 13 -2.936 -4.335 6.847 80 HB3 ASP 13 3HB ASP 13 -2.106 -2.792 7.026 81 H LEU 14 HN LEU 14 -4.273 -0.803 5.309 82 HA LEU 14 HA LEU 14 -4.352 1.391 7.208 83 HB2 LEU 14 2HB LEU 14 -1.918 0.532 5.997 84 HB3 LEU 14 3HB LEU 14 -2.353 2.107 5.336 85 HG LEU 14 HG LEU 14 -0.902 2.494 7.171 86 HD11 LEU 14 1HD1 LEU 14 -3.422 3.559 7.029 87 HD12 LEU 14 2HD1 LEU 14 -2.117 4.141 8.062 88 HD13 LEU 14 3HD1 LEU 14 -3.323 3.029 8.708 89 HD21 LEU 14 1HD2 LEU 14 -2.684 1.055 9.088 90 HD22 LEU 14 2HD2 LEU 14 -0.971 1.453 9.226 91 HD23 LEU 14 3HD2 LEU 14 -1.491 0.152 8.154 92 H ILE 15 HN ILE 15 -6.084 2.428 6.451 93 HA ILE 15 HA ILE 15 -6.547 2.622 3.581 94 HB ILE 15 HB ILE 15 -8.273 3.745 5.785 95 HG12 ILE 15 2HG1 ILE 15 -8.651 1.077 4.425 96 HG13 ILE 15 3HG1 ILE 15 -7.804 1.244 5.960 97 HG21 ILE 15 1HG2 ILE 15 -10.045 3.478 4.042 98 HG22 ILE 15 2HG2 ILE 15 -8.808 4.670 3.651 99 HG23 ILE 15 3HG2 ILE 15 -8.771 3.079 2.890 100 HD11 ILE 15 1HD1 ILE 15 -10.425 0.733 5.745 101 HD12 ILE 15 2HD1 ILE 15 -9.702 1.574 7.117 102 HD13 ILE 15 3HD1 ILE 15 -10.464 2.495 5.821 103 H LEU 16 HN LEU 16 -5.119 4.101 2.774 104 HA LEU 16 HA LEU 16 -4.298 6.479 3.961 105 HB2 LEU 16 2HB LEU 16 -4.495 5.581 1.110 106 HB3 LEU 16 3HB LEU 16 -3.947 7.207 1.509 107 HG LEU 16 HG LEU 16 -2.611 4.582 2.091 108 HD11 LEU 16 1HD1 LEU 16 -2.341 6.165 -0.025 109 HD12 LEU 16 2HD1 LEU 16 -0.985 5.280 0.671 110 HD13 LEU 16 3HD1 LEU 16 -1.219 6.985 1.061 111 HD21 LEU 16 1HD2 LEU 16 -2.237 5.515 4.143 112 HD22 LEU 16 2HD2 LEU 16 -2.376 7.167 3.542 113 HD23 LEU 16 3HD2 LEU 16 -0.909 6.238 3.235 114 HA PRO 17 HA PRO 17 -7.636 9.308 3.641 115 HB2 PRO 17 2HB PRO 17 -6.344 11.629 3.081 116 HB3 PRO 17 3HB PRO 17 -6.283 10.854 4.669 117 HG2 PRO 17 2HG PRO 17 -4.282 10.774 2.444 118 HG3 PRO 17 3HG PRO 17 -4.011 10.968 4.186 119 HD2 PRO 17 2HD PRO 17 -3.665 8.604 2.913 120 HD3 PRO 17 3HD PRO 17 -4.216 8.710 4.596 121 H CYS 18 HN CYS 18 -5.991 8.271 0.983 122 HA CYS 18 HA CYS 18 -7.455 10.031 -0.864 123 HB2 CYS 18 2HB CYS 18 -5.885 9.147 -2.597 124 HB3 CYS 18 3HB CYS 18 -5.085 10.033 -1.303 125 H ALA 19 HN ALA 19 -8.074 7.339 0.685 126 HA ALA 19 HA ALA 19 -9.593 5.667 0.350 127 HB1 ALA 19 1HB ALA 19 -10.523 7.513 -1.293 128 HB2 ALA 19 2HB ALA 19 -10.002 6.350 -2.513 129 HB3 ALA 19 3HB ALA 19 -11.173 5.872 -1.284 130 H HIS 20 HN HIS 20 -6.770 5.338 -0.109 131 HA HIS 20 HA HIS 20 -6.860 3.066 -1.979 132 HB2 HIS 20 2HB HIS 20 -4.705 5.145 -1.639 133 HB3 HIS 20 3HB HIS 20 -4.376 3.573 -2.362 134 HD2 HIS 20 2HD HIS 20 -7.001 3.377 -4.319 135 HE1 HIS 20 1HE HIS 20 -5.588 7.064 -5.873 136 HE2 HIS 20 2HE HIS 20 -7.147 5.117 -6.228 137 H SER 21 HN SER 21 -6.725 1.265 -0.819 138 HA SER 21 HA SER 21 -5.635 1.183 1.813 139 HB2 SER 21 2HB SER 21 -5.944 -1.349 1.474 140 HB3 SER 21 3HB SER 21 -7.389 -0.342 1.410 141 HG SER 21 HG SER 21 -7.433 -0.534 -0.780 142 H PHE 22 HN PHE 22 -3.877 -0.202 2.515 143 HA PHE 22 HA PHE 22 -1.922 -1.044 0.564 144 HB2 PHE 22 2HB PHE 22 -1.396 1.274 2.423 145 HB3 PHE 22 3HB PHE 22 -0.105 0.343 1.670 146 HD1 PHE 22 1HD PHE 22 0.333 0.513 -0.700 147 HD2 PHE 22 2HD PHE 22 -2.794 2.754 1.121 148 HE1 PHE 22 1HE PHE 22 0.187 1.932 -2.705 149 HE2 PHE 22 2HE PHE 22 -2.946 4.175 -0.881 150 HZ PHE 22 HZ PHE 22 -1.456 3.765 -2.798 151 H CYS 23 HN CYS 23 -1.989 -3.085 1.404 152 HA CYS 23 HA CYS 23 -2.114 -3.835 4.064 153 HB2 CYS 23 2HB CYS 23 -1.391 -6.002 3.374 154 HB3 CYS 23 3HB CYS 23 -2.323 -5.333 2.039 155 H GLN 24 HN GLN 24 -0.586 -4.412 5.619 156 HA GLN 24 HA GLN 24 1.597 -2.753 5.955 157 HB2 GLN 24 2HB GLN 24 0.450 -4.179 7.704 158 HB3 GLN 24 3HB GLN 24 1.399 -5.534 7.110 159 HG2 GLN 24 2HG GLN 24 2.712 -4.853 8.836 160 HG3 GLN 24 3HG GLN 24 3.405 -3.895 7.530 161 HE21 GLN 24 1HE2 GLN 24 3.737 -1.854 8.001 162 HE22 GLN 24 2HE2 GLN 24 2.857 -0.913 9.151 163 H LYS 25 HN LYS 25 1.395 -5.856 4.343 164 HA LYS 25 HA LYS 25 4.132 -6.439 4.160 165 HB2 LYS 25 2HB LYS 25 1.915 -7.130 2.222 166 HB3 LYS 25 3HB LYS 25 3.504 -7.885 2.265 167 HG2 LYS 25 2HG LYS 25 2.223 -7.989 4.851 168 HG3 LYS 25 3HG LYS 25 1.219 -8.720 3.597 169 HD2 LYS 25 2HD LYS 25 2.827 -10.318 3.070 170 HD3 LYS 25 3HD LYS 25 4.135 -9.380 3.793 171 HE2 LYS 25 2HE LYS 25 2.969 -9.753 6.018 172 HE3 LYS 25 3HE LYS 25 1.972 -10.943 5.182 173 HZ1 LYS 25 1HZ LYS 25 3.585 -12.425 5.382 174 HZ2 LYS 25 2HZ LYS 25 4.497 -11.315 6.275 175 HZ3 LYS 25 3HZ LYS 25 4.689 -11.409 4.597 176 H CYS 26 HN CYS 26 2.056 -4.352 2.256 177 HA CYS 26 HA CYS 26 4.060 -3.890 0.229 178 HB2 CYS 26 2HB CYS 26 1.271 -2.969 0.735 179 HB3 CYS 26 3HB CYS 26 2.294 -1.966 -0.288 180 H ILE 27 HN ILE 27 2.597 -2.021 2.872 181 HA ILE 27 HA ILE 27 4.004 0.356 2.508 182 HB ILE 27 HB ILE 27 2.543 -0.894 4.745 183 HG12 ILE 27 2HG1 ILE 27 2.662 1.977 3.810 184 HG13 ILE 27 3HG1 ILE 27 1.631 0.760 3.068 185 HG21 ILE 27 1HG2 ILE 27 4.731 1.114 5.188 186 HG22 ILE 27 2HG2 ILE 27 3.354 0.975 6.280 187 HG23 ILE 27 3HG2 ILE 27 4.432 -0.399 6.043 188 HD11 ILE 27 1HD1 ILE 27 0.190 1.792 4.525 189 HD12 ILE 27 2HD1 ILE 27 0.750 0.424 5.488 190 HD13 ILE 27 3HD1 ILE 27 1.431 2.028 5.756 191 H ASP 28 HN ASP 28 4.956 -2.643 4.041 192 HA ASP 28 HA ASP 28 7.147 -1.838 5.524 193 HB2 ASP 28 2HB ASP 28 6.035 -4.259 4.809 194 HB3 ASP 28 3HB ASP 28 7.621 -4.320 4.045 195 H LYS 29 HN LYS 29 7.139 -2.904 2.122 196 HA LYS 29 HA LYS 29 9.874 -2.277 1.690 197 HB2 LYS 29 2HB LYS 29 7.583 -2.756 -0.217 198 HB3 LYS 29 3HB LYS 29 9.240 -2.493 -0.746 199 HG2 LYS 29 2HG LYS 29 9.934 -4.466 0.567 200 HG3 LYS 29 3HG LYS 29 8.240 -4.751 0.976 201 HD2 LYS 29 2HD LYS 29 7.935 -4.649 -1.636 202 HD3 LYS 29 3HD LYS 29 9.650 -5.069 -1.633 203 HE2 LYS 29 2HE LYS 29 8.871 -7.180 -1.547 204 HE3 LYS 29 3HE LYS 29 8.707 -6.839 0.175 205 HZ1 LYS 29 1HZ LYS 29 6.415 -6.331 -0.116 206 HZ2 LYS 29 2HZ LYS 29 6.700 -7.819 -0.869 207 HZ3 LYS 29 3HZ LYS 29 6.535 -6.417 -1.802 208 H TRP 30 HN TRP 30 7.116 -0.794 0.002 209 HA TRP 30 HA TRP 30 8.507 1.542 -0.693 210 HB2 TRP 30 2HB TRP 30 5.519 1.470 -0.362 211 HB3 TRP 30 3HB TRP 30 6.476 2.340 -1.558 212 HD1 TRP 30 1HD TRP 30 4.327 -0.577 -1.305 213 HE1 TRP 30 1HE TRP 30 4.708 -2.202 -3.265 214 HE3 TRP 30 3HE TRP 30 8.744 1.299 -3.069 215 HZ2 TRP 30 2HZ TRP 30 6.627 -2.632 -5.290 216 HZ3 TRP 30 3HZ TRP 30 9.787 0.223 -5.021 217 HH2 TRP 30 2HH TRP 30 8.749 -1.702 -6.107 218 H SER 31 HN SER 31 7.062 3.721 -0.043 219 HA SER 31 HA SER 31 7.047 5.374 1.531 220 HB2 SER 31 2HB SER 31 5.795 3.113 3.104 221 HB3 SER 31 3HB SER 31 5.767 4.804 3.601 222 HG SER 31 HG SER 31 4.843 5.048 1.313 223 H ASP 32 HN ASP 32 9.480 5.060 1.473 224 HA ASP 32 HA ASP 32 10.468 4.213 4.116 225 HB2 ASP 32 2HB ASP 32 11.537 2.887 2.462 226 HB3 ASP 32 3HB ASP 32 11.812 4.278 1.418 227 H ARG 33 HN ARG 33 9.878 6.874 2.134 228 HA ARG 33 HA ARG 33 11.684 8.547 3.754 229 HB2 ARG 33 2HB ARG 33 12.188 8.351 1.252 230 HB3 ARG 33 3HB ARG 33 10.712 9.273 0.997 231 HG2 ARG 33 2HG ARG 33 12.252 10.952 0.984 232 HG3 ARG 33 3HG ARG 33 11.838 10.927 2.699 233 HD2 ARG 33 2HD ARG 33 13.827 9.107 2.653 234 HD3 ARG 33 3HD ARG 33 14.335 10.160 1.334 235 HE ARG 33 HE ARG 33 13.621 11.564 3.741 236 HH11 ARG 33 1HH1 ARG 33 16.171 9.946 2.010 237 HH12 ARG 33 2HH1 ARG 33 17.442 10.786 2.836 238 HH21 ARG 33 1HH2 ARG 33 15.284 12.677 4.834 239 HH22 ARG 33 2HH2 ARG 33 16.936 12.340 4.443 240 H HIS 34 HN HIS 34 8.809 8.953 1.677 241 HA HIS 34 HA HIS 34 7.691 10.737 3.732 242 HB2 HIS 34 2HB HIS 34 6.127 11.205 1.578 243 HB3 HIS 34 3HB HIS 34 7.603 12.103 1.922 244 HD2 HIS 34 2HD HIS 34 7.317 8.580 0.133 245 HE1 HIS 34 1HE HIS 34 9.365 11.308 -2.390 246 HE2 HIS 34 2HE HIS 34 8.498 8.957 -2.138 247 H ARG 35 HN ARG 35 5.075 10.781 3.118 248 HA ARG 35 HA ARG 35 4.221 7.985 3.492 249 HB2 ARG 35 2HB ARG 35 2.333 8.915 4.828 250 HB3 ARG 35 3HB ARG 35 3.913 9.195 5.546 251 HG2 ARG 35 2HG ARG 35 3.566 11.454 4.058 252 HG3 ARG 35 3HG ARG 35 1.920 11.099 4.585 253 HD2 ARG 35 2HD ARG 35 2.610 11.072 6.890 254 HD3 ARG 35 3HD ARG 35 4.303 11.239 6.425 255 HE ARG 35 HE ARG 35 3.215 13.443 5.358 256 HH11 ARG 35 1HH1 ARG 35 2.957 12.027 8.528 257 HH12 ARG 35 2HH1 ARG 35 2.726 13.545 9.331 258 HH21 ARG 35 1HH2 ARG 35 2.911 15.448 6.403 259 HH22 ARG 35 2HH2 ARG 35 2.699 15.490 8.120 260 H ASN 36 HN ASN 36 4.442 9.747 1.041 261 HA ASN 36 HA ASN 36 1.841 10.429 0.175 262 HB2 ASN 36 2HB ASN 36 3.947 9.620 -1.789 263 HB3 ASN 36 3HB ASN 36 2.815 10.969 -1.853 264 HD21 ASN 36 1HD2 ASN 36 3.362 11.908 0.800 265 HD22 ASN 36 2HD2 ASN 36 4.929 12.636 0.763 266 H CYS 37 HN CYS 37 1.413 9.291 -2.247 267 HA CYS 37 HA CYS 37 1.204 6.403 -1.734 268 HB2 CYS 37 2HB CYS 37 -0.975 7.003 -1.225 269 HB3 CYS 37 3HB CYS 37 -0.982 8.345 -2.364 270 HA PRO 38 HA PRO 38 2.764 5.997 -5.830 271 HB2 PRO 38 2HB PRO 38 1.902 3.481 -6.373 272 HB3 PRO 38 3HB PRO 38 3.242 3.820 -5.271 273 HG2 PRO 38 2HG PRO 38 0.378 3.215 -4.641 274 HG3 PRO 38 3HG PRO 38 1.848 2.612 -3.854 275 HD2 PRO 38 2HD PRO 38 0.356 4.618 -2.813 276 HD3 PRO 38 3HD PRO 38 2.117 4.531 -2.604 277 H ILE 39 HN ILE 39 -0.534 4.683 -5.432 278 HA ILE 39 HA ILE 39 -1.329 4.909 -8.093 279 HB ILE 39 HB ILE 39 -3.059 5.147 -5.629 280 HG12 ILE 39 2HG1 ILE 39 -3.342 2.634 -6.884 281 HG13 ILE 39 3HG1 ILE 39 -1.611 2.940 -6.781 282 HG21 ILE 39 1HG2 ILE 39 -4.759 4.153 -7.326 283 HG22 ILE 39 2HG2 ILE 39 -4.436 5.885 -7.328 284 HG23 ILE 39 3HG2 ILE 39 -3.680 4.847 -8.537 285 HD11 ILE 39 1HD1 ILE 39 -1.581 2.777 -4.534 286 HD12 ILE 39 2HD1 ILE 39 -3.192 3.472 -4.348 287 HD13 ILE 39 3HD1 ILE 39 -3.008 1.786 -4.831 288 H CYS 40 HN CYS 40 -1.004 7.323 -5.636 289 HA CYS 40 HA CYS 40 -2.589 9.280 -7.084 290 HB2 CYS 40 2HB CYS 40 -1.016 9.401 -4.510 291 HB3 CYS 40 3HB CYS 40 -1.802 10.810 -5.216 292 H ARG 41 HN ARG 41 0.804 8.686 -6.268 293 HA ARG 41 HA ARG 41 1.752 11.021 -7.632 294 HB2 ARG 41 2HB ARG 41 3.143 8.587 -6.517 295 HB3 ARG 41 3HB ARG 41 4.003 9.893 -7.321 296 HG2 ARG 41 2HG ARG 41 2.597 11.312 -5.526 297 HG3 ARG 41 3HG ARG 41 2.779 9.794 -4.645 298 HD2 ARG 41 2HD ARG 41 4.766 10.616 -4.020 299 HD3 ARG 41 3HD ARG 41 5.290 10.174 -5.644 300 HE ARG 41 HE ARG 41 5.613 12.393 -6.002 301 HH11 ARG 41 1HH1 ARG 41 3.016 12.031 -3.710 302 HH12 ARG 41 2HH1 ARG 41 2.758 13.735 -3.538 303 HH21 ARG 41 1HH2 ARG 41 5.282 14.639 -5.782 304 HH22 ARG 41 2HH2 ARG 41 4.046 15.218 -4.717 305 H LEU 42 HN LEU 42 0.842 7.871 -8.583 306 HA LEU 42 HA LEU 42 1.879 8.390 -11.279 307 HB2 LEU 42 2HB LEU 42 2.938 6.402 -11.488 308 HB3 LEU 42 3HB LEU 42 3.133 6.620 -9.749 309 HG LEU 42 HG LEU 42 0.795 5.252 -9.829 310 HD11 LEU 42 1HD1 LEU 42 2.467 4.095 -12.050 311 HD12 LEU 42 2HD1 LEU 42 0.992 5.029 -12.297 312 HD13 LEU 42 3HD1 LEU 42 0.927 3.489 -11.441 313 HD21 LEU 42 1HD2 LEU 42 3.301 3.660 -9.953 314 HD22 LEU 42 2HD2 LEU 42 1.968 3.585 -8.800 315 HD23 LEU 42 3HD2 LEU 42 3.154 4.887 -8.695 Start of MODEL 11 1 H1 GLU 1 HN GLU 1 -11.956 2.479 1.406 2 HA GLU 1 HA GLU 1 -13.226 -0.120 0.940 3 HB2 GLU 1 2HB GLU 1 -10.824 0.957 -0.520 4 HB3 GLU 1 3HB GLU 1 -11.952 -0.285 -1.045 5 HG2 GLU 1 2HG GLU 1 -13.709 1.404 -1.253 6 HG3 GLU 1 3HG GLU 1 -12.565 2.647 -0.748 7 H GLU 2 HN GLU 2 -11.863 -2.048 0.868 8 HA GLU 2 HA GLU 2 -9.655 -1.895 2.815 9 HB2 GLU 2 2HB GLU 2 -12.037 -3.425 2.898 10 HB3 GLU 2 3HB GLU 2 -10.718 -4.550 2.603 11 HG2 GLU 2 2HG GLU 2 -9.655 -4.021 4.602 12 HG3 GLU 2 3HG GLU 2 -10.540 -2.508 4.782 13 H GLU 3 HN GLU 3 -8.605 -4.395 2.564 14 HA GLU 3 HA GLU 3 -7.107 -5.608 1.356 15 HB2 GLU 3 2HB GLU 3 -8.534 -4.919 -1.184 16 HB3 GLU 3 3HB GLU 3 -7.792 -6.438 -0.701 17 HG2 GLU 3 2HG GLU 3 -9.600 -7.045 0.628 18 HG3 GLU 3 3HG GLU 3 -10.212 -5.394 0.713 19 H CYS 4 HN CYS 4 -5.221 -5.378 0.129 20 HA CYS 4 HA CYS 4 -4.200 -2.754 -0.059 21 HB2 CYS 4 2HB CYS 4 -2.884 -4.900 0.293 22 HB3 CYS 4 3HB CYS 4 -3.056 -5.185 -1.437 23 H CYS 5 HN CYS 5 -3.636 -1.510 -1.863 24 HA CYS 5 HA CYS 5 -5.339 -1.979 -4.191 25 HB2 CYS 5 2HB CYS 5 -5.307 0.235 -2.928 26 HB3 CYS 5 3HB CYS 5 -3.708 0.491 -3.613 27 HG CYS 5 HG CYS 5 -4.563 0.531 -6.253 28 H ILE 6 HN ILE 6 -2.108 -2.284 -3.219 29 HA ILE 6 HA ILE 6 -1.051 -2.037 -5.930 30 HB ILE 6 HB ILE 6 0.283 -2.459 -3.263 31 HG12 ILE 6 2HG1 ILE 6 0.296 -0.237 -5.310 32 HG13 ILE 6 3HG1 ILE 6 -0.326 -0.173 -3.664 33 HG21 ILE 6 1HG2 ILE 6 1.523 -3.819 -4.764 34 HG22 ILE 6 2HG2 ILE 6 1.482 -2.584 -6.020 35 HG23 ILE 6 3HG2 ILE 6 2.431 -2.321 -4.557 36 HD11 ILE 6 1HD1 ILE 6 2.531 -0.282 -4.565 37 HD12 ILE 6 2HD1 ILE 6 1.718 0.975 -3.632 38 HD13 ILE 6 3HD1 ILE 6 2.045 -0.596 -2.900 39 H CYS 7 HN CYS 7 -1.201 -4.452 -3.319 40 HA CYS 7 HA CYS 7 -0.777 -6.545 -5.351 41 HB2 CYS 7 2HB CYS 7 0.217 -7.924 -3.662 42 HB3 CYS 7 3HB CYS 7 0.985 -6.342 -3.570 43 H MET 8 HN MET 8 -3.304 -5.593 -5.154 44 HA MET 8 HA MET 8 -5.142 -6.394 -3.401 45 HB2 MET 8 2HB MET 8 -6.168 -5.510 -5.234 46 HB3 MET 8 3HB MET 8 -5.120 -6.356 -6.363 47 HG2 MET 8 2HG MET 8 -6.457 -8.186 -6.458 48 HG3 MET 8 3HG MET 8 -7.038 -7.984 -4.807 49 HE1 MET 8 1HE MET 8 -8.754 -6.100 -8.614 50 HE2 MET 8 2HE MET 8 -7.067 -5.831 -8.178 51 HE3 MET 8 3HE MET 8 -7.642 -7.466 -8.506 52 H ASP 9 HN ASP 9 -4.632 -8.166 -2.151 53 HA ASP 9 HA ASP 9 -5.328 -10.733 -3.295 54 HB2 ASP 9 2HB ASP 9 -2.924 -10.654 -3.728 55 HB3 ASP 9 3HB ASP 9 -2.614 -10.276 -2.036 56 H GLY 10 HN GLY 10 -3.668 -9.519 -0.371 57 HA2 GLY 10 1HA GLY 10 -5.342 -11.186 1.304 58 HA3 GLY 10 2HA GLY 10 -4.041 -10.135 1.842 59 H ARG 11 HN ARG 11 -4.730 -8.586 3.142 60 HA ARG 11 HA ARG 11 -7.334 -7.332 2.567 61 HB2 ARG 11 2HB ARG 11 -6.157 -7.822 5.308 62 HB3 ARG 11 3HB ARG 11 -7.713 -7.081 4.957 63 HG2 ARG 11 2HG ARG 11 -8.599 -9.100 5.177 64 HG3 ARG 11 3HG ARG 11 -7.821 -9.518 3.649 65 HD2 ARG 11 2HD ARG 11 -7.062 -11.189 5.054 66 HD3 ARG 11 3HD ARG 11 -5.752 -10.012 5.135 67 HE ARG 11 HE ARG 11 -7.672 -9.565 7.182 68 HH11 ARG 11 1HH1 ARG 11 -5.010 -11.616 6.271 69 HH12 ARG 11 2HH1 ARG 11 -4.582 -12.006 7.904 70 HH21 ARG 11 1HH2 ARG 11 -7.117 -10.071 9.336 71 HH22 ARG 11 2HH2 ARG 11 -5.782 -11.127 9.647 72 H ALA 12 HN ALA 12 -7.442 -5.204 4.032 73 HA ALA 12 HA ALA 12 -5.041 -3.669 3.314 74 HB1 ALA 12 1HB ALA 12 -7.924 -2.903 3.626 75 HB2 ALA 12 2HB ALA 12 -6.641 -1.692 3.630 76 HB3 ALA 12 3HB ALA 12 -6.875 -2.724 2.219 77 H ASP 13 HN ASP 13 -3.765 -2.892 4.860 78 HA ASP 13 HA ASP 13 -4.713 -2.997 7.636 79 HB2 ASP 13 2HB ASP 13 -2.502 -4.124 6.667 80 HB3 ASP 13 3HB ASP 13 -1.845 -2.521 6.988 81 H LEU 14 HN LEU 14 -3.753 -0.844 5.136 82 HA LEU 14 HA LEU 14 -4.122 1.416 6.963 83 HB2 LEU 14 2HB LEU 14 -1.634 0.707 6.202 84 HB3 LEU 14 3HB LEU 14 -2.072 1.780 4.874 85 HG LEU 14 HG LEU 14 -1.113 3.312 6.236 86 HD11 LEU 14 1HD1 LEU 14 -3.580 3.364 7.883 87 HD12 LEU 14 2HD1 LEU 14 -3.746 3.565 6.139 88 HD13 LEU 14 3HD1 LEU 14 -2.736 4.677 7.062 89 HD21 LEU 14 1HD2 LEU 14 -0.881 3.148 8.611 90 HD22 LEU 14 2HD2 LEU 14 -0.507 1.570 7.917 91 HD23 LEU 14 3HD2 LEU 14 -2.069 1.847 8.690 92 H ILE 15 HN ILE 15 -6.019 2.127 6.160 93 HA ILE 15 HA ILE 15 -6.407 2.326 3.280 94 HB ILE 15 HB ILE 15 -8.327 3.112 5.472 95 HG12 ILE 15 2HG1 ILE 15 -8.172 0.504 3.945 96 HG13 ILE 15 3HG1 ILE 15 -7.660 0.723 5.615 97 HG21 ILE 15 1HG2 ILE 15 -8.962 2.339 2.640 98 HG22 ILE 15 2HG2 ILE 15 -9.999 3.144 3.817 99 HG23 ILE 15 3HG2 ILE 15 -8.630 4.005 3.112 100 HD11 ILE 15 1HD1 ILE 15 -10.145 -0.075 4.767 101 HD12 ILE 15 2HD1 ILE 15 -9.737 0.527 6.375 102 HD13 ILE 15 3HD1 ILE 15 -10.377 1.629 5.156 103 H LEU 16 HN LEU 16 -5.121 3.996 2.586 104 HA LEU 16 HA LEU 16 -4.661 6.428 3.820 105 HB2 LEU 16 2HB LEU 16 -4.702 5.572 0.953 106 HB3 LEU 16 3HB LEU 16 -4.418 7.260 1.373 107 HG LEU 16 HG LEU 16 -2.694 4.868 1.942 108 HD11 LEU 16 1HD1 LEU 16 -2.704 6.856 -0.025 109 HD12 LEU 16 2HD1 LEU 16 -1.428 5.686 0.315 110 HD13 LEU 16 3HD1 LEU 16 -1.390 7.277 1.074 111 HD21 LEU 16 1HD2 LEU 16 -2.730 5.956 4.040 112 HD22 LEU 16 2HD2 LEU 16 -2.671 7.554 3.298 113 HD23 LEU 16 3HD2 LEU 16 -1.259 6.499 3.234 114 HA PRO 17 HA PRO 17 -8.329 8.820 3.540 115 HB2 PRO 17 2HB PRO 17 -7.344 11.298 3.033 116 HB3 PRO 17 3HB PRO 17 -7.186 10.505 4.604 117 HG2 PRO 17 2HG PRO 17 -5.189 10.729 2.385 118 HG3 PRO 17 3HG PRO 17 -4.947 10.920 4.131 119 HD2 PRO 17 2HD PRO 17 -4.300 8.646 2.810 120 HD3 PRO 17 3HD PRO 17 -4.861 8.645 4.496 121 H CYS 18 HN CYS 18 -6.555 8.066 0.867 122 HA CYS 18 HA CYS 18 -8.231 9.660 -0.950 123 HB2 CYS 18 2HB CYS 18 -5.841 9.934 -1.326 124 HB3 CYS 18 3HB CYS 18 -5.638 8.191 -1.465 125 H ALA 19 HN ALA 19 -8.346 6.794 0.517 126 HA ALA 19 HA ALA 19 -9.771 5.024 0.137 127 HB1 ALA 19 1HB ALA 19 -10.672 6.752 -1.729 128 HB2 ALA 19 2HB ALA 19 -10.077 5.451 -2.760 129 HB3 ALA 19 3HB ALA 19 -11.289 5.112 -1.524 130 H HIS 20 HN HIS 20 -6.781 5.480 -0.770 131 HA HIS 20 HA HIS 20 -6.520 2.978 -2.295 132 HB2 HIS 20 2HB HIS 20 -4.755 5.405 -2.060 133 HB3 HIS 20 3HB HIS 20 -4.127 3.872 -2.657 134 HD2 HIS 20 2HD HIS 20 -6.585 3.058 -4.656 135 HE1 HIS 20 1HE HIS 20 -5.844 6.837 -6.434 136 HE2 HIS 20 2HE HIS 20 -6.989 4.608 -6.686 137 H SER 21 HN SER 21 -6.544 1.457 -0.687 138 HA SER 21 HA SER 21 -5.130 1.719 1.762 139 HB2 SER 21 2HB SER 21 -5.730 -1.002 0.732 140 HB3 SER 21 3HB SER 21 -6.051 -0.300 2.317 141 HG SER 21 HG SER 21 -7.603 1.056 0.870 142 H PHE 22 HN PHE 22 -3.412 0.170 2.454 143 HA PHE 22 HA PHE 22 -1.676 -0.881 0.403 144 HB2 PHE 22 2HB PHE 22 -0.824 1.476 2.094 145 HB3 PHE 22 3HB PHE 22 0.296 0.465 1.187 146 HD1 PHE 22 1HD PHE 22 -2.113 3.151 1.033 147 HD2 PHE 22 2HD PHE 22 0.199 0.432 -1.287 148 HE1 PHE 22 1HE PHE 22 -2.475 4.548 -0.960 149 HE2 PHE 22 2HE PHE 22 -0.157 1.826 -3.282 150 HZ PHE 22 HZ PHE 22 -1.496 3.888 -3.121 151 H CYS 23 HN CYS 23 -1.892 -2.851 1.432 152 HA CYS 23 HA CYS 23 -1.873 -3.537 4.041 153 HB2 CYS 23 2HB CYS 23 -1.029 -5.684 3.431 154 HB3 CYS 23 3HB CYS 23 -1.958 -5.097 2.055 155 H GLN 24 HN GLN 24 -0.430 -3.810 5.696 156 HA GLN 24 HA GLN 24 1.731 -2.105 5.929 157 HB2 GLN 24 2HB GLN 24 0.466 -3.416 7.748 158 HB3 GLN 24 3HB GLN 24 1.599 -4.718 7.414 159 HG2 GLN 24 2HG GLN 24 2.783 -3.740 9.048 160 HG3 GLN 24 3HG GLN 24 3.322 -2.688 7.741 161 HE21 GLN 24 1HE2 GLN 24 2.261 -0.645 7.483 162 HE22 GLN 24 2HE2 GLN 24 1.546 0.137 8.847 163 H LYS 25 HN LYS 25 1.575 -5.285 4.540 164 HA LYS 25 HA LYS 25 4.324 -5.919 4.604 165 HB2 LYS 25 2HB LYS 25 2.326 -6.794 2.515 166 HB3 LYS 25 3HB LYS 25 3.812 -7.616 2.977 167 HG2 LYS 25 2HG LYS 25 2.280 -7.330 5.322 168 HG3 LYS 25 3HG LYS 25 1.187 -7.895 4.056 169 HD2 LYS 25 2HD LYS 25 3.815 -9.228 4.175 170 HD3 LYS 25 3HD LYS 25 2.742 -9.525 5.544 171 HE2 LYS 25 2HE LYS 25 2.477 -11.199 3.759 172 HE3 LYS 25 3HE LYS 25 0.997 -10.289 4.053 173 HZ1 LYS 25 1HZ LYS 25 1.929 -8.807 2.146 174 HZ2 LYS 25 2HZ LYS 25 1.111 -10.242 1.784 175 HZ3 LYS 25 3HZ LYS 25 2.802 -10.199 1.740 176 H CYS 26 HN CYS 26 2.383 -3.965 2.453 177 HA CYS 26 HA CYS 26 4.500 -3.718 0.490 178 HB2 CYS 26 2HB CYS 26 1.677 -2.785 0.722 179 HB3 CYS 26 3HB CYS 26 2.759 -1.880 -0.332 180 H ILE 27 HN ILE 27 2.902 -1.666 2.900 181 HA ILE 27 HA ILE 27 4.343 0.688 2.365 182 HB ILE 27 HB ILE 27 2.764 -0.309 4.688 183 HG12 ILE 27 2HG1 ILE 27 2.666 2.107 2.876 184 HG13 ILE 27 3HG1 ILE 27 1.552 0.745 2.903 185 HG21 ILE 27 1HG2 ILE 27 4.588 2.088 4.763 186 HG22 ILE 27 2HG2 ILE 27 3.275 1.808 5.905 187 HG23 ILE 27 3HG2 ILE 27 4.626 0.678 5.822 188 HD11 ILE 27 1HD1 ILE 27 1.821 2.985 4.866 189 HD12 ILE 27 2HD1 ILE 27 0.399 2.458 3.965 190 HD13 ILE 27 3HD1 ILE 27 1.016 1.475 5.292 191 H ASP 28 HN ASP 28 5.364 -2.238 3.702 192 HA ASP 28 HA ASP 28 7.521 -1.038 5.260 193 HB2 ASP 28 2HB ASP 28 6.096 -3.149 5.899 194 HB3 ASP 28 3HB ASP 28 7.226 -3.990 4.841 195 H LYS 29 HN LYS 29 7.021 -3.018 2.379 196 HA LYS 29 HA LYS 29 9.814 -3.305 1.817 197 HB2 LYS 29 2HB LYS 29 7.265 -4.008 0.448 198 HB3 LYS 29 3HB LYS 29 8.715 -3.896 -0.541 199 HG2 LYS 29 2HG LYS 29 9.807 -5.586 0.755 200 HG3 LYS 29 3HG LYS 29 8.486 -5.605 1.926 201 HD2 LYS 29 2HD LYS 29 6.986 -6.254 -0.035 202 HD3 LYS 29 3HD LYS 29 8.478 -6.567 -0.924 203 HE2 LYS 29 2HE LYS 29 7.773 -7.825 1.724 204 HE3 LYS 29 3HE LYS 29 7.491 -8.583 0.158 205 HZ1 LYS 29 1HZ LYS 29 9.680 -9.004 1.549 206 HZ2 LYS 29 2HZ LYS 29 10.192 -7.625 0.715 207 HZ3 LYS 29 3HZ LYS 29 9.685 -8.991 -0.143 208 H TRP 30 HN TRP 30 7.550 -2.053 -0.568 209 HA TRP 30 HA TRP 30 9.304 -0.401 -1.878 210 HB2 TRP 30 2HB TRP 30 6.412 0.366 -1.549 211 HB3 TRP 30 3HB TRP 30 7.451 0.570 -2.958 212 HD1 TRP 30 1HD TRP 30 4.915 -1.731 -1.508 213 HE1 TRP 30 1HE TRP 30 4.706 -3.850 -2.957 214 HE3 TRP 30 3HE TRP 30 9.054 -1.117 -4.446 215 HZ2 TRP 30 2HZ TRP 30 6.112 -5.095 -5.065 216 HZ3 TRP 30 3HZ TRP 30 9.551 -2.818 -6.154 217 HH2 TRP 30 2HH TRP 30 8.110 -4.764 -6.455 218 H SER 31 HN SER 31 10.586 1.046 -0.910 219 HA SER 31 HA SER 31 10.072 2.450 1.430 220 HB2 SER 31 2HB SER 31 12.319 2.407 0.751 221 HB3 SER 31 3HB SER 31 11.932 2.953 -0.881 222 HG SER 31 HG SER 31 12.870 4.519 0.725 223 H ASP 32 HN ASP 32 7.959 3.273 1.351 224 HA ASP 32 HA ASP 32 7.155 5.142 -0.672 225 HB2 ASP 32 2HB ASP 32 5.922 4.395 1.987 226 HB3 ASP 32 3HB ASP 32 5.175 5.489 0.825 227 H ARG 33 HN ARG 33 8.336 6.974 -0.756 228 HA ARG 33 HA ARG 33 9.711 8.332 1.111 229 HB2 ARG 33 2HB ARG 33 7.944 9.515 -1.034 230 HB3 ARG 33 3HB ARG 33 9.126 10.441 -0.118 231 HG2 ARG 33 2HG ARG 33 10.862 8.807 -0.958 232 HG3 ARG 33 3HG ARG 33 9.624 8.211 -2.065 233 HD2 ARG 33 2HD ARG 33 10.330 9.801 -3.464 234 HD3 ARG 33 3HD ARG 33 9.493 10.935 -2.403 235 HE ARG 33 HE ARG 33 11.524 11.728 -1.727 236 HH11 ARG 33 1HH1 ARG 33 11.974 8.610 -3.208 237 HH12 ARG 33 2HH1 ARG 33 13.703 8.691 -3.158 238 HH21 ARG 33 1HH2 ARG 33 13.800 11.847 -1.656 239 HH22 ARG 33 2HH2 ARG 33 14.742 10.532 -2.274 240 H HIS 34 HN HIS 34 6.248 8.896 0.476 241 HA HIS 34 HA HIS 34 5.926 9.665 3.284 242 HB2 HIS 34 2HB HIS 34 4.298 11.484 2.363 243 HB3 HIS 34 3HB HIS 34 6.027 11.814 2.406 244 HD2 HIS 34 2HD HIS 34 6.977 12.728 0.047 245 HE1 HIS 34 1HE HIS 34 3.898 11.235 -2.460 246 HE2 HIS 34 2HE HIS 34 6.059 12.525 -2.361 247 H ARG 35 HN ARG 35 3.830 9.358 4.124 248 HA ARG 35 HA ARG 35 2.359 7.257 2.804 249 HB2 ARG 35 2HB ARG 35 1.788 8.682 5.410 250 HB3 ARG 35 3HB ARG 35 1.013 7.206 4.849 251 HG2 ARG 35 2HG ARG 35 2.565 6.097 5.981 252 HG3 ARG 35 3HG ARG 35 3.717 6.621 4.751 253 HD2 ARG 35 2HD ARG 35 3.089 8.495 6.971 254 HD3 ARG 35 3HD ARG 35 4.100 7.095 7.331 255 HE ARG 35 HE ARG 35 4.807 9.392 5.728 256 HH11 ARG 35 1HH1 ARG 35 5.533 6.086 6.543 257 HH12 ARG 35 2HH1 ARG 35 7.182 6.181 6.017 258 HH21 ARG 35 1HH2 ARG 35 6.975 9.530 5.033 259 HH22 ARG 35 2HH2 ARG 35 8.001 8.141 5.159 260 H ASN 36 HN ASN 36 2.221 9.449 1.208 261 HA ASN 36 HA ASN 36 -0.300 10.810 1.732 262 HB2 ASN 36 2HB ASN 36 1.851 11.145 -0.351 263 HB3 ASN 36 3HB ASN 36 0.298 11.964 -0.486 264 HD21 ASN 36 1HD2 ASN 36 -0.247 12.695 2.048 265 HD22 ASN 36 2HD2 ASN 36 0.948 13.798 2.631 266 H CYS 37 HN CYS 37 1.073 9.268 -1.177 267 HA CYS 37 HA CYS 37 -0.898 7.346 -1.548 268 HB2 CYS 37 2HB CYS 37 -1.987 9.855 -1.955 269 HB3 CYS 37 3HB CYS 37 -1.591 9.322 -3.585 270 HA PRO 38 HA PRO 38 2.769 7.167 -4.336 271 HB2 PRO 38 2HB PRO 38 3.270 4.542 -3.857 272 HB3 PRO 38 3HB PRO 38 3.878 5.840 -2.824 273 HG2 PRO 38 2HG PRO 38 1.498 4.066 -2.435 274 HG3 PRO 38 3HG PRO 38 2.715 4.581 -1.252 275 HD2 PRO 38 2HD PRO 38 0.270 5.731 -1.422 276 HD3 PRO 38 3HD PRO 38 1.717 6.634 -0.933 277 H ILE 39 HN ILE 39 -0.347 6.109 -4.379 278 HA ILE 39 HA ILE 39 -0.024 4.369 -6.713 279 HB ILE 39 HB ILE 39 -2.206 4.817 -4.744 280 HG12 ILE 39 2HG1 ILE 39 -0.459 2.839 -5.030 281 HG13 ILE 39 3HG1 ILE 39 -2.103 2.538 -4.476 282 HG21 ILE 39 1HG2 ILE 39 -3.439 5.349 -6.686 283 HG22 ILE 39 2HG2 ILE 39 -2.657 4.077 -7.622 284 HG23 ILE 39 3HG2 ILE 39 -3.792 3.656 -6.339 285 HD11 ILE 39 1HD1 ILE 39 -1.319 0.942 -6.188 286 HD12 ILE 39 2HD1 ILE 39 -2.764 1.831 -6.671 287 HD13 ILE 39 3HD1 ILE 39 -1.190 2.279 -7.331 288 H CYS 40 HN CYS 40 -1.131 7.528 -5.776 289 HA CYS 40 HA CYS 40 -2.396 8.029 -8.344 290 HB2 CYS 40 2HB CYS 40 -2.061 9.649 -5.827 291 HB3 CYS 40 3HB CYS 40 -2.658 10.376 -7.317 292 H ARG 41 HN ARG 41 0.623 8.588 -6.743 293 HA ARG 41 HA ARG 41 1.679 10.770 -8.008 294 HB2 ARG 41 2HB ARG 41 3.858 9.847 -7.611 295 HB3 ARG 41 3HB ARG 41 2.817 9.371 -6.275 296 HG2 ARG 41 2HG ARG 41 2.953 7.181 -6.773 297 HG3 ARG 41 3HG ARG 41 2.963 7.467 -8.514 298 HD2 ARG 41 2HD ARG 41 5.305 8.216 -8.351 299 HD3 ARG 41 3HD ARG 41 5.282 7.854 -6.625 300 HE ARG 41 HE ARG 41 4.552 5.613 -8.259 301 HH11 ARG 41 1HH1 ARG 41 7.217 7.405 -6.914 302 HH12 ARG 41 2HH1 ARG 41 8.312 6.064 -6.962 303 HH21 ARG 41 1HH2 ARG 41 5.985 3.840 -8.325 304 HH22 ARG 41 2HH2 ARG 41 7.610 4.036 -7.765 305 H LEU 42 HN LEU 42 0.851 7.728 -9.404 306 HA LEU 42 HA LEU 42 2.496 7.599 -11.626 307 HB2 LEU 42 2HB LEU 42 -0.395 6.826 -11.303 308 HB3 LEU 42 3HB LEU 42 0.564 6.429 -12.728 309 HG LEU 42 HG LEU 42 1.385 5.547 -9.976 310 HD11 LEU 42 1HD1 LEU 42 -0.864 4.618 -11.566 311 HD12 LEU 42 2HD1 LEU 42 -0.434 4.264 -9.894 312 HD13 LEU 42 3HD1 LEU 42 0.296 3.339 -11.205 313 HD21 LEU 42 1HD2 LEU 42 2.974 4.346 -11.018 314 HD22 LEU 42 2HD2 LEU 42 2.726 5.499 -12.329 315 HD23 LEU 42 3HD2 LEU 42 1.921 3.930 -12.370 Start of MODEL 12 1 H1 GLU 1 HN GLU 1 -14.590 -5.991 5.800 2 HA GLU 1 HA GLU 1 -13.662 -3.670 5.182 3 HB2 GLU 1 2HB GLU 1 -12.423 -5.922 6.326 4 HB3 GLU 1 3HB GLU 1 -11.266 -5.276 5.170 5 HG2 GLU 1 2HG GLU 1 -11.472 -3.067 6.232 6 HG3 GLU 1 3HG GLU 1 -12.569 -3.764 7.422 7 H GLU 2 HN GLU 2 -11.232 -3.373 4.041 8 HA GLU 2 HA GLU 2 -11.816 -3.846 1.201 9 HB2 GLU 2 2HB GLU 2 -10.401 -1.678 2.689 10 HB3 GLU 2 3HB GLU 2 -9.906 -2.019 1.037 11 HG2 GLU 2 2HG GLU 2 -12.283 -1.721 0.342 12 HG3 GLU 2 3HG GLU 2 -12.636 -1.189 1.985 13 H GLU 3 HN GLU 3 -9.547 -3.668 -0.076 14 HA GLU 3 HA GLU 3 -7.591 -5.425 1.220 15 HB2 GLU 3 2HB GLU 3 -8.790 -5.916 -1.512 16 HB3 GLU 3 3HB GLU 3 -7.445 -6.812 -0.821 17 HG2 GLU 3 2HG GLU 3 -9.129 -7.273 1.120 18 HG3 GLU 3 3HG GLU 3 -10.334 -6.879 -0.105 19 H CYS 4 HN CYS 4 -5.492 -5.401 0.228 20 HA CYS 4 HA CYS 4 -4.452 -2.948 -0.340 21 HB2 CYS 4 2HB CYS 4 -3.251 -5.194 0.074 22 HB3 CYS 4 3HB CYS 4 -3.345 -5.409 -1.672 23 H CYS 5 HN CYS 5 -4.213 -1.639 -2.073 24 HA CYS 5 HA CYS 5 -5.706 -2.361 -4.479 25 HB2 CYS 5 2HB CYS 5 -5.861 -0.058 -4.953 26 HB3 CYS 5 3HB CYS 5 -6.044 -0.162 -3.207 27 HG CYS 5 HG CYS 5 -3.214 0.432 -2.856 28 H ILE 6 HN ILE 6 -3.174 -3.605 -4.038 29 HA ILE 6 HA ILE 6 -1.856 -2.792 -6.502 30 HB ILE 6 HB ILE 6 -0.402 -2.915 -3.859 31 HG12 ILE 6 2HG1 ILE 6 -0.996 -0.723 -5.837 32 HG13 ILE 6 3HG1 ILE 6 -1.331 -0.758 -4.109 33 HG21 ILE 6 1HG2 ILE 6 0.813 -2.501 -6.584 34 HG22 ILE 6 2HG2 ILE 6 1.652 -2.683 -5.044 35 HG23 ILE 6 3HG2 ILE 6 0.793 -4.052 -5.747 36 HD11 ILE 6 1HD1 ILE 6 0.537 0.742 -4.806 37 HD12 ILE 6 2HD1 ILE 6 0.963 -0.454 -3.583 38 HD13 ILE 6 3HD1 ILE 6 1.444 -0.700 -5.261 39 H CYS 7 HN CYS 7 -1.067 -4.879 -3.719 40 HA CYS 7 HA CYS 7 -0.367 -7.047 -5.498 41 HB2 CYS 7 2HB CYS 7 0.374 -8.205 -3.525 42 HB3 CYS 7 3HB CYS 7 0.914 -6.533 -3.410 43 H MET 8 HN MET 8 -3.032 -6.136 -3.443 44 HA MET 8 HA MET 8 -5.040 -7.110 -2.976 45 HB2 MET 8 2HB MET 8 -5.001 -8.641 -5.518 46 HB3 MET 8 3HB MET 8 -6.260 -7.619 -4.840 47 HG2 MET 8 2HG MET 8 -4.384 -5.767 -5.378 48 HG3 MET 8 3HG MET 8 -4.040 -6.946 -6.642 49 HE1 MET 8 1HE MET 8 -5.033 -4.673 -8.584 50 HE2 MET 8 2HE MET 8 -6.227 -3.700 -7.724 51 HE3 MET 8 3HE MET 8 -4.687 -4.090 -6.956 52 H ASP 9 HN ASP 9 -2.974 -8.474 -1.797 53 HA ASP 9 HA ASP 9 -4.112 -11.134 -1.614 54 HB2 ASP 9 2HB ASP 9 -2.247 -11.135 -3.391 55 HB3 ASP 9 3HB ASP 9 -1.139 -10.916 -2.039 56 H GLY 10 HN GLY 10 -4.002 -8.849 0.128 57 HA2 GLY 10 1HA GLY 10 -3.048 -10.166 2.495 58 HA3 GLY 10 2HA GLY 10 -2.064 -8.779 2.055 59 H ARG 11 HN ARG 11 -5.406 -8.661 1.246 60 HA ARG 11 HA ARG 11 -7.086 -7.280 1.921 61 HB2 ARG 11 2HB ARG 11 -5.941 -8.307 4.488 62 HB3 ARG 11 3HB ARG 11 -7.185 -7.065 4.541 63 HG2 ARG 11 2HG ARG 11 -8.775 -8.564 4.191 64 HG3 ARG 11 3HG ARG 11 -7.961 -9.164 2.744 65 HD2 ARG 11 2HD ARG 11 -6.932 -10.863 3.859 66 HD3 ARG 11 3HD ARG 11 -6.841 -9.960 5.370 67 HE ARG 11 HE ARG 11 -9.528 -10.526 4.848 68 HH11 ARG 11 1HH1 ARG 11 -6.577 -12.192 5.644 69 HH12 ARG 11 2HH1 ARG 11 -7.378 -13.492 6.463 70 HH21 ARG 11 1HH2 ARG 11 -10.595 -12.232 5.923 71 HH22 ARG 11 2HH2 ARG 11 -9.663 -13.513 6.620 72 H ALA 12 HN ALA 12 -7.489 -5.334 3.641 73 HA ALA 12 HA ALA 12 -5.278 -3.454 3.143 74 HB1 ALA 12 1HB ALA 12 -8.225 -2.917 3.488 75 HB2 ALA 12 2HB ALA 12 -6.986 -1.678 3.276 76 HB3 ALA 12 3HB ALA 12 -7.306 -2.836 1.984 77 H ASP 13 HN ASP 13 -4.071 -3.188 4.904 78 HA ASP 13 HA ASP 13 -5.287 -3.360 7.552 79 HB2 ASP 13 2HB ASP 13 -3.077 -4.501 6.868 80 HB3 ASP 13 3HB ASP 13 -2.365 -2.893 6.992 81 H LEU 14 HN LEU 14 -4.346 -1.013 5.283 82 HA LEU 14 HA LEU 14 -4.885 1.100 7.213 83 HB2 LEU 14 2HB LEU 14 -2.271 0.460 6.440 84 HB3 LEU 14 3HB LEU 14 -2.696 1.904 5.523 85 HG LEU 14 HG LEU 14 -3.162 1.850 8.474 86 HD11 LEU 14 1HD1 LEU 14 -0.696 1.195 7.513 87 HD12 LEU 14 2HD1 LEU 14 -1.006 1.988 9.057 88 HD13 LEU 14 3HD1 LEU 14 -0.584 2.951 7.641 89 HD21 LEU 14 1HD2 LEU 14 -2.749 4.235 8.245 90 HD22 LEU 14 2HD2 LEU 14 -4.002 3.712 7.120 91 HD23 LEU 14 3HD2 LEU 14 -2.366 4.021 6.536 92 H ILE 15 HN ILE 15 -6.216 2.558 6.363 93 HA ILE 15 HA ILE 15 -6.490 2.646 3.434 94 HB ILE 15 HB ILE 15 -8.533 3.601 5.432 95 HG12 ILE 15 2HG1 ILE 15 -8.782 1.001 3.964 96 HG13 ILE 15 3HG1 ILE 15 -7.853 1.064 5.457 97 HG21 ILE 15 1HG2 ILE 15 -9.342 2.650 2.776 98 HG22 ILE 15 2HG2 ILE 15 -9.853 4.076 3.677 99 HG23 ILE 15 3HG2 ILE 15 -8.340 4.101 2.771 100 HD11 ILE 15 1HD1 ILE 15 -10.664 2.087 5.304 101 HD12 ILE 15 2HD1 ILE 15 -10.296 0.391 5.617 102 HD13 ILE 15 3HD1 ILE 15 -9.727 1.636 6.728 103 H LEU 16 HN LEU 16 -5.130 4.243 2.800 104 HA LEU 16 HA LEU 16 -4.522 6.584 4.179 105 HB2 LEU 16 2HB LEU 16 -4.453 5.861 1.270 106 HB3 LEU 16 3HB LEU 16 -3.985 7.467 1.825 107 HG LEU 16 HG LEU 16 -2.644 4.839 2.422 108 HD11 LEU 16 1HD1 LEU 16 -1.378 7.326 1.345 109 HD12 LEU 16 2HD1 LEU 16 -2.237 6.219 0.277 110 HD13 LEU 16 3HD1 LEU 16 -0.849 5.650 1.202 111 HD21 LEU 16 1HD2 LEU 16 -2.566 5.931 4.495 112 HD22 LEU 16 2HD2 LEU 16 -2.338 7.515 3.752 113 HD23 LEU 16 3HD2 LEU 16 -1.032 6.329 3.721 114 HA PRO 17 HA PRO 17 -7.966 9.266 3.728 115 HB2 PRO 17 2HB PRO 17 -6.750 11.674 3.423 116 HB3 PRO 17 3HB PRO 17 -6.789 10.806 4.961 117 HG2 PRO 17 2HG PRO 17 -4.599 10.957 2.927 118 HG3 PRO 17 3HG PRO 17 -4.492 11.055 4.694 119 HD2 PRO 17 2HD PRO 17 -3.916 8.792 3.322 120 HD3 PRO 17 3HD PRO 17 -4.617 8.767 4.953 121 H CYS 18 HN CYS 18 -6.044 8.472 1.175 122 HA CYS 18 HA CYS 18 -7.379 10.303 -0.696 123 HB2 CYS 18 2HB CYS 18 -5.673 9.574 -2.328 124 HB3 CYS 18 3HB CYS 18 -4.950 10.268 -0.881 125 H ALA 19 HN ALA 19 -7.949 7.412 0.635 126 HA ALA 19 HA ALA 19 -9.490 5.801 0.099 127 HB1 ALA 19 1HB ALA 19 -10.947 6.097 -1.627 128 HB2 ALA 19 2HB ALA 19 -10.303 7.735 -1.512 129 HB3 ALA 19 3HB ALA 19 -9.691 6.632 -2.744 130 H HIS 20 HN HIS 20 -6.624 5.540 -0.180 131 HA HIS 20 HA HIS 20 -6.569 3.320 -2.109 132 HB2 HIS 20 2HB HIS 20 -4.429 5.406 -1.661 133 HB3 HIS 20 3HB HIS 20 -4.154 3.901 -2.532 134 HD2 HIS 20 2HD HIS 20 -6.985 4.044 -4.313 135 HE1 HIS 20 1HE HIS 20 -5.263 7.640 -5.762 136 HE2 HIS 20 2HE HIS 20 -7.051 5.902 -6.110 137 H SER 21 HN SER 21 -6.523 1.564 -0.855 138 HA SER 21 HA SER 21 -5.249 1.550 1.722 139 HB2 SER 21 2HB SER 21 -6.836 -0.018 1.983 140 HB3 SER 21 3HB SER 21 -7.070 -0.161 0.240 141 HG SER 21 HG SER 21 -6.063 -1.987 0.384 142 H PHE 22 HN PHE 22 -3.626 -0.074 2.334 143 HA PHE 22 HA PHE 22 -1.983 -1.254 0.301 144 HB2 PHE 22 2HB PHE 22 -0.839 1.047 1.898 145 HB3 PHE 22 3HB PHE 22 0.055 0.019 0.785 146 HD1 PHE 22 1HD PHE 22 -1.923 2.962 1.145 147 HD2 PHE 22 2HD PHE 22 -0.643 0.030 -1.661 148 HE1 PHE 22 1HE PHE 22 -2.479 4.491 -0.700 149 HE2 PHE 22 2HE PHE 22 -1.197 1.554 -3.511 150 HZ PHE 22 HZ PHE 22 -2.116 3.788 -3.033 151 H CYS 23 HN CYS 23 -2.070 -3.176 1.354 152 HA CYS 23 HA CYS 23 -2.067 -3.731 4.024 153 HB2 CYS 23 2HB CYS 23 -1.371 -5.933 3.495 154 HB3 CYS 23 3HB CYS 23 -2.243 -5.360 2.076 155 H GLN 24 HN GLN 24 -0.564 -4.042 5.637 156 HA GLN 24 HA GLN 24 1.523 -2.385 5.982 157 HB2 GLN 24 2HB GLN 24 0.650 -3.923 7.712 158 HB3 GLN 24 3HB GLN 24 1.491 -5.256 6.929 159 HG2 GLN 24 2HG GLN 24 2.848 -4.625 8.727 160 HG3 GLN 24 3HG GLN 24 3.623 -3.951 7.295 161 HE21 GLN 24 1HE2 GLN 24 4.574 -2.147 7.944 162 HE22 GLN 24 2HE2 GLN 24 3.818 -0.874 8.834 163 H LYS 25 HN LYS 25 1.865 -5.687 4.685 164 HA LYS 25 HA LYS 25 4.514 -5.885 4.234 165 HB2 LYS 25 2HB LYS 25 2.152 -7.008 3.047 166 HB3 LYS 25 3HB LYS 25 3.356 -6.721 1.797 167 HG2 LYS 25 2HG LYS 25 4.342 -8.610 2.384 168 HG3 LYS 25 3HG LYS 25 4.739 -7.876 3.940 169 HD2 LYS 25 2HD LYS 25 2.622 -8.656 4.864 170 HD3 LYS 25 3HD LYS 25 2.184 -9.352 3.302 171 HE2 LYS 25 2HE LYS 25 4.728 -10.365 3.940 172 HE3 LYS 25 3HE LYS 25 3.768 -10.474 5.415 173 HZ1 LYS 25 1HZ LYS 25 2.023 -11.575 4.047 174 HZ2 LYS 25 2HZ LYS 25 3.453 -12.467 4.195 175 HZ3 LYS 25 3HZ LYS 25 3.123 -11.632 2.761 176 H CYS 26 HN CYS 26 2.380 -4.644 1.658 177 HA CYS 26 HA CYS 26 4.428 -3.574 0.088 178 HB2 CYS 26 2HB CYS 26 1.503 -2.846 0.283 179 HB3 CYS 26 3HB CYS 26 2.584 -2.188 -0.940 180 H ILE 27 HN ILE 27 2.675 -2.236 2.804 181 HA ILE 27 HA ILE 27 3.455 0.463 2.457 182 HB ILE 27 HB ILE 27 2.065 -1.089 4.474 183 HG12 ILE 27 2HG1 ILE 27 2.090 1.852 3.759 184 HG13 ILE 27 3HG1 ILE 27 1.019 0.630 3.081 185 HG21 ILE 27 1HG2 ILE 27 3.934 -0.641 5.901 186 HG22 ILE 27 2HG2 ILE 27 3.964 1.052 5.413 187 HG23 ILE 27 3HG2 ILE 27 2.616 0.434 6.369 188 HD11 ILE 27 1HD1 ILE 27 0.402 0.293 5.630 189 HD12 ILE 27 2HD1 ILE 27 0.946 1.969 5.718 190 HD13 ILE 27 3HD1 ILE 27 -0.368 1.524 4.630 191 H ASP 28 HN ASP 28 5.017 -2.314 3.855 192 HA ASP 28 HA ASP 28 7.056 -0.772 5.198 193 HB2 ASP 28 2HB ASP 28 6.087 -3.219 5.687 194 HB3 ASP 28 3HB ASP 28 7.447 -3.670 4.663 195 H LYS 29 HN LYS 29 6.542 -2.083 2.070 196 HA LYS 29 HA LYS 29 9.378 -1.980 1.380 197 HB2 LYS 29 2HB LYS 29 8.182 -3.897 0.541 198 HB3 LYS 29 3HB LYS 29 6.943 -2.873 -0.171 199 HG2 LYS 29 2HG LYS 29 8.079 -2.836 -2.065 200 HG3 LYS 29 3HG LYS 29 9.424 -2.045 -1.238 201 HD2 LYS 29 2HD LYS 29 10.112 -4.390 -0.490 202 HD3 LYS 29 3HD LYS 29 8.976 -4.981 -1.705 203 HE2 LYS 29 2HE LYS 29 10.458 -4.629 -3.323 204 HE3 LYS 29 3HE LYS 29 10.639 -2.943 -2.842 205 HZ1 LYS 29 1HZ LYS 29 12.212 -5.286 -1.989 206 HZ2 LYS 29 2HZ LYS 29 12.152 -3.899 -1.023 207 HZ3 LYS 29 3HZ LYS 29 12.757 -3.805 -2.600 208 H TRP 30 HN TRP 30 6.522 -0.951 -0.467 209 HA TRP 30 HA TRP 30 7.972 1.262 -1.587 210 HB2 TRP 30 2HB TRP 30 5.002 0.879 -1.843 211 HB3 TRP 30 3HB TRP 30 6.130 1.576 -3.002 212 HD1 TRP 30 1HD TRP 30 4.827 -1.790 -1.745 213 HE1 TRP 30 1HE TRP 30 5.513 -3.619 -3.421 214 HE3 TRP 30 3HE TRP 30 7.892 0.979 -4.756 215 HZ2 TRP 30 2HZ TRP 30 7.138 -3.856 -5.717 216 HZ3 TRP 30 3HZ TRP 30 8.975 -0.123 -6.670 217 HH2 TRP 30 2HH TRP 30 8.604 -2.491 -7.139 218 H SER 31 HN SER 31 7.498 3.470 -1.349 219 HA SER 31 HA SER 31 7.152 5.345 -0.100 220 HB2 SER 31 2HB SER 31 4.618 3.950 -0.328 221 HB3 SER 31 3HB SER 31 4.690 4.905 1.152 222 HG SER 31 HG SER 31 5.094 6.725 -0.059 223 H ASP 32 HN ASP 32 8.866 4.820 1.362 224 HA ASP 32 HA ASP 32 7.909 4.008 4.030 225 HB2 ASP 32 2HB ASP 32 9.715 2.613 2.605 226 HB3 ASP 32 3HB ASP 32 10.798 3.751 3.402 227 H ARG 33 HN ARG 33 9.675 6.307 2.133 228 HA ARG 33 HA ARG 33 10.945 7.657 4.300 229 HB2 ARG 33 2HB ARG 33 10.385 8.397 1.435 230 HB3 ARG 33 3HB ARG 33 11.140 9.526 2.552 231 HG2 ARG 33 2HG ARG 33 13.079 8.644 1.934 232 HG3 ARG 33 3HG ARG 33 12.619 7.214 2.860 233 HD2 ARG 33 2HD ARG 33 11.969 6.044 0.987 234 HD3 ARG 33 3HD ARG 33 11.645 7.507 0.058 235 HE ARG 33 HE ARG 33 14.098 6.073 0.177 236 HH11 ARG 33 1HH1 ARG 33 12.760 9.275 -0.108 237 HH12 ARG 33 2HH1 ARG 33 14.130 9.911 -0.958 238 HH21 ARG 33 1HH2 ARG 33 15.906 6.900 -0.942 239 HH22 ARG 33 2HH2 ARG 33 15.918 8.559 -1.432 240 H HIS 34 HN HIS 34 8.934 9.528 2.156 241 HA HIS 34 HA HIS 34 7.828 11.023 4.306 242 HB2 HIS 34 2HB HIS 34 7.692 11.063 1.363 243 HB3 HIS 34 3HB HIS 34 6.252 11.671 2.175 244 HD2 HIS 34 2HD HIS 34 10.055 12.579 1.845 245 HE1 HIS 34 1HE HIS 34 7.977 15.896 3.481 246 HE2 HIS 34 2HE HIS 34 10.152 15.077 2.509 247 H ARG 35 HN ARG 35 6.875 8.156 2.664 248 HA ARG 35 HA ARG 35 5.222 6.664 3.245 249 HB2 ARG 35 2HB ARG 35 5.199 8.304 5.432 250 HB3 ARG 35 3HB ARG 35 3.571 8.527 4.809 251 HG2 ARG 35 2HG ARG 35 3.239 6.090 4.860 252 HG3 ARG 35 3HG ARG 35 4.852 5.907 5.553 253 HD2 ARG 35 2HD ARG 35 2.637 7.528 6.799 254 HD3 ARG 35 3HD ARG 35 3.009 5.859 7.230 255 HE ARG 35 HE ARG 35 5.259 7.636 7.432 256 HH11 ARG 35 1HH1 ARG 35 2.465 6.353 9.065 257 HH12 ARG 35 2HH1 ARG 35 3.095 6.649 10.653 258 HH21 ARG 35 1HH2 ARG 35 6.100 8.029 9.516 259 HH22 ARG 35 2HH2 ARG 35 5.163 7.602 10.907 260 H ASN 36 HN ASN 36 5.223 8.710 1.093 261 HA ASN 36 HA ASN 36 2.633 9.696 0.638 262 HB2 ASN 36 2HB ASN 36 4.262 8.900 -1.714 263 HB3 ASN 36 3HB ASN 36 3.437 10.419 -1.378 264 HD21 ASN 36 1HD2 ASN 36 4.479 12.010 -0.215 265 HD22 ASN 36 2HD2 ASN 36 6.177 11.969 0.102 266 H CYS 37 HN CYS 37 1.837 8.843 -1.842 267 HA CYS 37 HA CYS 37 1.205 5.995 -1.424 268 HB2 CYS 37 2HB CYS 37 -0.836 6.981 -0.929 269 HB3 CYS 37 3HB CYS 37 -0.591 8.301 -2.066 270 HA PRO 38 HA PRO 38 2.723 5.356 -5.505 271 HB2 PRO 38 2HB PRO 38 1.442 3.033 -6.082 272 HB3 PRO 38 3HB PRO 38 2.806 3.125 -4.962 273 HG2 PRO 38 2HG PRO 38 -0.127 3.026 -4.370 274 HG3 PRO 38 3HG PRO 38 1.205 2.168 -3.573 275 HD2 PRO 38 2HD PRO 38 0.075 4.395 -2.528 276 HD3 PRO 38 3HD PRO 38 1.791 4.000 -2.302 277 H ILE 39 HN ILE 39 -0.758 4.635 -5.156 278 HA ILE 39 HA ILE 39 -1.468 5.015 -7.823 279 HB ILE 39 HB ILE 39 -3.222 5.644 -5.449 280 HG12 ILE 39 2HG1 ILE 39 -1.934 3.282 -5.783 281 HG13 ILE 39 3HG1 ILE 39 -3.516 3.435 -5.027 282 HG21 ILE 39 1HG2 ILE 39 -4.960 4.713 -7.115 283 HG22 ILE 39 2HG2 ILE 39 -4.364 6.357 -7.341 284 HG23 ILE 39 3HG2 ILE 39 -3.733 5.047 -8.337 285 HD11 ILE 39 1HD1 ILE 39 -3.396 3.094 -7.972 286 HD12 ILE 39 2HD1 ILE 39 -3.064 1.698 -6.945 287 HD13 ILE 39 3HD1 ILE 39 -4.607 2.544 -6.814 288 H CYS 40 HN CYS 40 -0.774 7.322 -5.333 289 HA CYS 40 HA CYS 40 -1.940 9.533 -6.823 290 HB2 CYS 40 2HB CYS 40 -0.482 9.399 -4.180 291 HB3 CYS 40 3HB CYS 40 -1.050 10.901 -4.902 292 H ARG 41 HN ARG 41 1.181 8.120 -6.135 293 HA ARG 41 HA ARG 41 2.827 10.250 -6.919 294 HB2 ARG 41 2HB ARG 41 3.930 8.520 -5.808 295 HB3 ARG 41 3HB ARG 41 3.188 7.276 -6.805 296 HG2 ARG 41 2HG ARG 41 4.803 7.380 -8.347 297 HG3 ARG 41 3HG ARG 41 4.875 9.143 -8.293 298 HD2 ARG 41 2HD ARG 41 6.603 9.133 -6.874 299 HD3 ARG 41 3HD ARG 41 5.873 7.887 -5.863 300 HE ARG 41 HE ARG 41 7.930 7.507 -7.739 301 HH11 ARG 41 1HH1 ARG 41 4.967 6.030 -6.663 302 HH12 ARG 41 2HH1 ARG 41 5.459 4.425 -7.092 303 HH21 ARG 41 1HH2 ARG 41 8.589 5.399 -8.308 304 HH22 ARG 41 2HH2 ARG 41 7.520 4.067 -8.026 305 H LEU 42 HN LEU 42 1.022 7.916 -8.766 306 HA LEU 42 HA LEU 42 2.376 8.554 -11.248 307 HB2 LEU 42 2HB LEU 42 -0.148 6.956 -10.892 308 HB3 LEU 42 3HB LEU 42 0.959 6.933 -12.263 309 HG LEU 42 HG LEU 42 1.869 6.046 -9.549 310 HD11 LEU 42 1HD1 LEU 42 1.101 3.875 -11.298 311 HD12 LEU 42 2HD1 LEU 42 -0.280 4.875 -10.850 312 HD13 LEU 42 3HD1 LEU 42 0.721 4.143 -9.597 313 HD21 LEU 42 1HD2 LEU 42 3.177 4.503 -11.218 314 HD22 LEU 42 2HD2 LEU 42 3.703 6.160 -10.919 315 HD23 LEU 42 3HD2 LEU 42 2.779 5.776 -12.373 Start of MODEL 13 1 H1 GLU 1 HN GLU 1 -13.116 -0.533 -3.319 2 HA GLU 1 HA GLU 1 -13.157 -0.119 -0.699 3 HB2 GLU 1 2HB GLU 1 -14.746 -2.120 -0.490 4 HB3 GLU 1 3HB GLU 1 -15.169 -0.863 -1.645 5 HG2 GLU 1 2HG GLU 1 -13.821 -2.450 -3.286 6 HG3 GLU 1 3HG GLU 1 -14.319 -3.662 -2.105 7 H GLU 2 HN GLU 2 -11.750 -0.586 0.850 8 HA GLU 2 HA GLU 2 -10.125 -1.669 2.044 9 HB2 GLU 2 2HB GLU 2 -12.540 -3.099 2.128 10 HB3 GLU 2 3HB GLU 2 -11.283 -4.312 1.935 11 HG2 GLU 2 2HG GLU 2 -11.955 -3.696 4.302 12 HG3 GLU 2 3HG GLU 2 -10.233 -3.711 3.932 13 H GLU 3 HN GLU 3 -9.170 -4.247 2.072 14 HA GLU 3 HA GLU 3 -7.605 -5.575 1.093 15 HB2 GLU 3 2HB GLU 3 -8.769 -5.088 -1.613 16 HB3 GLU 3 3HB GLU 3 -8.185 -6.586 -0.901 17 HG2 GLU 3 2HG GLU 3 -10.152 -6.898 0.332 18 HG3 GLU 3 3HG GLU 3 -10.672 -5.233 0.085 19 H CYS 4 HN CYS 4 -5.652 -5.529 -0.095 20 HA CYS 4 HA CYS 4 -4.440 -3.016 -0.301 21 HB2 CYS 4 2HB CYS 4 -3.291 -5.250 0.011 22 HB3 CYS 4 3HB CYS 4 -3.512 -5.518 -1.716 23 H CYS 5 HN CYS 5 -4.070 -1.628 -1.960 24 HA CYS 5 HA CYS 5 -5.573 -2.125 -4.425 25 HB2 CYS 5 2HB CYS 5 -5.345 0.120 -2.770 26 HB3 CYS 5 3HB CYS 5 -4.422 0.525 -4.212 27 HG CYS 5 HG CYS 5 -6.835 -0.495 -5.736 28 H ILE 6 HN ILE 6 -3.028 -3.402 -3.967 29 HA ILE 6 HA ILE 6 -1.669 -2.474 -6.367 30 HB ILE 6 HB ILE 6 -0.352 -2.597 -3.665 31 HG12 ILE 6 2HG1 ILE 6 -0.461 -0.526 -5.866 32 HG13 ILE 6 3HG1 ILE 6 -1.228 -0.429 -4.284 33 HG21 ILE 6 1HG2 ILE 6 1.062 -3.915 -5.061 34 HG22 ILE 6 2HG2 ILE 6 0.942 -2.749 -6.378 35 HG23 ILE 6 3HG2 ILE 6 1.808 -2.325 -4.900 36 HD11 ILE 6 1HD1 ILE 6 1.398 -0.796 -3.633 37 HD12 ILE 6 2HD1 ILE 6 1.497 0.197 -5.087 38 HD13 ILE 6 3HD1 ILE 6 0.561 0.755 -3.700 39 H CYS 7 HN CYS 7 -1.355 -4.768 -3.652 40 HA CYS 7 HA CYS 7 -0.558 -6.844 -5.564 41 HB2 CYS 7 2HB CYS 7 0.425 -8.008 -3.772 42 HB3 CYS 7 3HB CYS 7 0.788 -6.318 -3.441 43 H MET 8 HN MET 8 -3.159 -5.842 -3.555 44 HA MET 8 HA MET 8 -5.115 -6.846 -2.895 45 HB2 MET 8 2HB MET 8 -5.157 -8.195 -5.565 46 HB3 MET 8 3HB MET 8 -6.462 -7.391 -4.704 47 HG2 MET 8 2HG MET 8 -5.582 -5.238 -5.234 48 HG3 MET 8 3HG MET 8 -4.114 -5.948 -5.903 49 HE1 MET 8 1HE MET 8 -3.629 -6.169 -7.897 50 HE2 MET 8 2HE MET 8 -4.490 -7.446 -8.756 51 HE3 MET 8 3HE MET 8 -4.600 -5.776 -9.317 52 H ASP 9 HN ASP 9 -3.383 -8.255 -1.612 53 HA ASP 9 HA ASP 9 -4.446 -10.915 -1.619 54 HB2 ASP 9 2HB ASP 9 -2.080 -10.435 -3.133 55 HB3 ASP 9 3HB ASP 9 -1.631 -11.366 -1.707 56 H GLY 10 HN GLY 10 -3.947 -8.490 0.105 57 HA2 GLY 10 1HA GLY 10 -3.104 -9.988 2.455 58 HA3 GLY 10 2HA GLY 10 -2.110 -8.601 2.036 59 H ARG 11 HN ARG 11 -5.519 -8.537 1.395 60 HA ARG 11 HA ARG 11 -7.190 -7.205 2.177 61 HB2 ARG 11 2HB ARG 11 -5.783 -7.737 4.800 62 HB3 ARG 11 3HB ARG 11 -7.379 -7.014 4.651 63 HG2 ARG 11 2HG ARG 11 -6.552 -9.808 4.457 64 HG3 ARG 11 3HG ARG 11 -8.113 -9.110 4.893 65 HD2 ARG 11 2HD ARG 11 -8.532 -8.663 2.493 66 HD3 ARG 11 3HD ARG 11 -7.016 -9.479 2.109 67 HE ARG 11 HE ARG 11 -8.695 -11.153 3.664 68 HH11 ARG 11 1HH1 ARG 11 -8.286 -9.882 0.448 69 HH12 ARG 11 2HH1 ARG 11 -9.074 -11.220 -0.322 70 HH21 ARG 11 1HH2 ARG 11 -9.733 -12.919 2.662 71 HH22 ARG 11 2HH2 ARG 11 -9.898 -12.946 0.939 72 H ALA 12 HN ALA 12 -7.527 -5.193 3.816 73 HA ALA 12 HA ALA 12 -5.404 -3.279 3.101 74 HB1 ALA 12 1HB ALA 12 -7.330 -2.598 1.967 75 HB2 ALA 12 2HB ALA 12 -8.377 -2.961 3.340 76 HB3 ALA 12 3HB ALA 12 -7.292 -1.573 3.402 77 H ASP 13 HN ASP 13 -4.193 -3.695 4.999 78 HA ASP 13 HA ASP 13 -5.300 -3.485 7.608 79 HB2 ASP 13 2HB ASP 13 -2.806 -4.182 6.481 80 HB3 ASP 13 3HB ASP 13 -2.498 -2.837 7.575 81 H LEU 14 HN LEU 14 -4.152 -1.183 5.298 82 HA LEU 14 HA LEU 14 -4.794 0.975 7.169 83 HB2 LEU 14 2HB LEU 14 -2.176 0.306 6.431 84 HB3 LEU 14 3HB LEU 14 -2.584 1.739 5.491 85 HG LEU 14 HG LEU 14 -2.981 1.654 8.465 86 HD11 LEU 14 1HD1 LEU 14 -0.568 1.119 7.573 87 HD12 LEU 14 2HD1 LEU 14 -0.816 2.243 8.908 88 HD13 LEU 14 3HD1 LEU 14 -0.531 2.858 7.281 89 HD21 LEU 14 1HD2 LEU 14 -2.570 4.133 8.106 90 HD22 LEU 14 2HD2 LEU 14 -4.081 3.482 7.471 91 HD23 LEU 14 3HD2 LEU 14 -2.732 3.805 6.381 92 H ILE 15 HN ILE 15 -6.046 2.487 6.276 93 HA ILE 15 HA ILE 15 -6.284 2.520 3.339 94 HB ILE 15 HB ILE 15 -8.379 3.340 5.354 95 HG12 ILE 15 2HG1 ILE 15 -9.284 1.151 3.862 96 HG13 ILE 15 3HG1 ILE 15 -7.630 0.744 4.303 97 HG21 ILE 15 1HG2 ILE 15 -8.447 4.502 3.160 98 HG22 ILE 15 2HG2 ILE 15 -8.624 2.932 2.379 99 HG23 ILE 15 3HG2 ILE 15 -9.872 3.514 3.479 100 HD11 ILE 15 1HD1 ILE 15 -9.948 0.545 5.875 101 HD12 ILE 15 2HD1 ILE 15 -8.281 0.214 6.344 102 HD13 ILE 15 3HD1 ILE 15 -8.960 1.824 6.580 103 H LEU 16 HN LEU 16 -4.903 4.129 2.764 104 HA LEU 16 HA LEU 16 -4.375 6.481 4.149 105 HB2 LEU 16 2HB LEU 16 -4.157 5.665 1.287 106 HB3 LEU 16 3HB LEU 16 -3.875 7.347 1.730 107 HG LEU 16 HG LEU 16 -2.362 5.039 2.937 108 HD11 LEU 16 1HD1 LEU 16 -1.225 4.849 1.044 109 HD12 LEU 16 2HD1 LEU 16 -0.702 6.522 1.229 110 HD13 LEU 16 3HD1 LEU 16 -2.157 6.151 0.305 111 HD21 LEU 16 1HD2 LEU 16 -1.900 8.019 2.895 112 HD22 LEU 16 2HD2 LEU 16 -0.764 6.829 3.530 113 HD23 LEU 16 3HD2 LEU 16 -2.342 7.035 4.291 114 HA PRO 17 HA PRO 17 -7.813 9.148 3.585 115 HB2 PRO 17 2HB PRO 17 -6.613 11.554 3.213 116 HB3 PRO 17 3HB PRO 17 -6.651 10.731 4.777 117 HG2 PRO 17 2HG PRO 17 -4.455 10.838 2.745 118 HG3 PRO 17 3HG PRO 17 -4.355 10.989 4.509 119 HD2 PRO 17 2HD PRO 17 -3.758 8.691 3.207 120 HD3 PRO 17 3HD PRO 17 -4.465 8.709 4.836 121 H CYS 18 HN CYS 18 -5.878 8.291 1.064 122 HA CYS 18 HA CYS 18 -7.196 10.068 -0.866 123 HB2 CYS 18 2HB CYS 18 -5.506 9.232 -2.474 124 HB3 CYS 18 3HB CYS 18 -4.778 9.997 -1.065 125 H ALA 19 HN ALA 19 -7.777 7.206 0.553 126 HA ALA 19 HA ALA 19 -9.323 5.583 0.080 127 HB1 ALA 19 1HB ALA 19 -10.795 5.797 -1.687 128 HB2 ALA 19 2HB ALA 19 -10.276 7.464 -1.436 129 HB3 ALA 19 3HB ALA 19 -9.581 6.515 -2.749 130 H HIS 20 HN HIS 20 -6.511 5.236 -0.223 131 HA HIS 20 HA HIS 20 -6.511 3.042 -2.178 132 HB2 HIS 20 2HB HIS 20 -4.379 5.143 -1.793 133 HB3 HIS 20 3HB HIS 20 -4.064 3.607 -2.596 134 HD2 HIS 20 2HD HIS 20 -6.707 3.491 -4.521 135 HE1 HIS 20 1HE HIS 20 -5.359 7.268 -5.902 136 HE2 HIS 20 2HE HIS 20 -6.901 5.325 -6.335 137 H SER 21 HN SER 21 -6.574 1.341 -0.822 138 HA SER 21 HA SER 21 -5.226 1.288 1.693 139 HB2 SER 21 2HB SER 21 -5.800 -1.356 1.024 140 HB3 SER 21 3HB SER 21 -6.826 -0.268 1.960 141 HG SER 21 HG SER 21 -8.147 -0.740 0.355 142 H PHE 22 HN PHE 22 -3.573 -0.269 2.303 143 HA PHE 22 HA PHE 22 -1.955 -1.463 0.242 144 HB2 PHE 22 2HB PHE 22 -0.793 0.790 1.894 145 HB3 PHE 22 3HB PHE 22 0.086 -0.211 0.743 146 HD1 PHE 22 1HD PHE 22 -0.762 -0.173 -1.697 147 HD2 PHE 22 2HD PHE 22 -1.735 2.782 1.206 148 HE1 PHE 22 1HE PHE 22 -1.318 1.408 -3.499 149 HE2 PHE 22 2HE PHE 22 -2.293 4.369 -0.591 150 HZ PHE 22 HZ PHE 22 -2.086 3.682 -2.947 151 H CYS 23 HN CYS 23 -2.071 -3.406 1.261 152 HA CYS 23 HA CYS 23 -2.096 -4.047 3.895 153 HB2 CYS 23 2HB CYS 23 -1.306 -6.213 3.321 154 HB3 CYS 23 3HB CYS 23 -2.174 -5.625 1.906 155 H GLN 24 HN GLN 24 -0.646 -4.353 5.550 156 HA GLN 24 HA GLN 24 1.372 -2.666 6.038 157 HB2 GLN 24 2HB GLN 24 0.435 -4.512 7.545 158 HB3 GLN 24 3HB GLN 24 1.658 -5.557 6.834 159 HG2 GLN 24 2HG GLN 24 2.376 -2.946 8.117 160 HG3 GLN 24 3HG GLN 24 2.189 -4.426 9.057 161 HE21 GLN 24 1HE2 GLN 24 4.480 -2.568 8.048 162 HE22 GLN 24 2HE2 GLN 24 5.691 -3.700 7.563 163 H LYS 25 HN LYS 25 1.998 -5.937 4.755 164 HA LYS 25 HA LYS 25 4.639 -5.925 4.316 165 HB2 LYS 25 2HB LYS 25 2.631 -6.763 2.215 166 HB3 LYS 25 3HB LYS 25 4.294 -7.321 2.342 167 HG2 LYS 25 2HG LYS 25 3.267 -7.907 4.820 168 HG3 LYS 25 3HG LYS 25 1.906 -8.220 3.740 169 HD2 LYS 25 2HD LYS 25 3.076 -9.845 2.542 170 HD3 LYS 25 3HD LYS 25 4.644 -9.273 3.116 171 HE2 LYS 25 2HE LYS 25 4.280 -10.173 5.278 172 HE3 LYS 25 3HE LYS 25 2.574 -10.469 4.943 173 HZ1 LYS 25 1HZ LYS 25 3.224 -12.523 4.439 174 HZ2 LYS 25 2HZ LYS 25 4.858 -12.098 4.351 175 HZ3 LYS 25 3HZ LYS 25 3.854 -11.876 3.008 176 H CYS 26 HN CYS 26 2.459 -4.803 1.723 177 HA CYS 26 HA CYS 26 4.391 -3.626 0.129 178 HB2 CYS 26 2HB CYS 26 1.473 -2.951 0.499 179 HB3 CYS 26 3HB CYS 26 2.478 -2.192 -0.731 180 H ILE 27 HN ILE 27 2.439 -2.130 2.691 181 HA ILE 27 HA ILE 27 3.334 0.484 2.455 182 HB ILE 27 HB ILE 27 1.988 -1.086 4.491 183 HG12 ILE 27 2HG1 ILE 27 1.943 1.898 4.039 184 HG13 ILE 27 3HG1 ILE 27 1.088 0.766 2.996 185 HG21 ILE 27 1HG2 ILE 27 2.566 0.446 6.376 186 HG22 ILE 27 2HG2 ILE 27 3.871 -0.634 5.890 187 HG23 ILE 27 3HG2 ILE 27 3.900 1.058 5.397 188 HD11 ILE 27 1HD1 ILE 27 0.521 1.573 5.794 189 HD12 ILE 27 2HD1 ILE 27 -0.578 1.341 4.434 190 HD13 ILE 27 3HD1 ILE 27 0.084 -0.057 5.282 191 H ASP 28 HN ASP 28 4.931 -2.303 3.788 192 HA ASP 28 HA ASP 28 7.017 -0.727 5.047 193 HB2 ASP 28 2HB ASP 28 5.988 -3.168 5.635 194 HB3 ASP 28 3HB ASP 28 7.412 -3.636 4.710 195 H LYS 29 HN LYS 29 6.511 -2.610 2.139 196 HA LYS 29 HA LYS 29 9.257 -2.631 1.339 197 HB2 LYS 29 2HB LYS 29 7.141 -4.099 0.596 198 HB3 LYS 29 3HB LYS 29 7.107 -2.904 -0.694 199 HG2 LYS 29 2HG LYS 29 8.783 -3.898 -1.746 200 HG3 LYS 29 3HG LYS 29 9.785 -3.873 -0.293 201 HD2 LYS 29 2HD LYS 29 7.620 -5.912 -0.772 202 HD3 LYS 29 3HD LYS 29 9.302 -6.156 -1.250 203 HE2 LYS 29 2HE LYS 29 9.803 -6.813 0.811 204 HE3 LYS 29 3HE LYS 29 9.258 -5.263 1.449 205 HZ1 LYS 29 1HZ LYS 29 7.931 -7.829 1.454 206 HZ2 LYS 29 2HZ LYS 29 6.935 -6.531 1.022 207 HZ3 LYS 29 3HZ LYS 29 7.752 -6.514 2.504 208 H TRP 30 HN TRP 30 6.533 -0.500 0.857 209 HA TRP 30 HA TRP 30 8.082 1.133 -1.022 210 HB2 TRP 30 2HB TRP 30 5.172 0.917 -0.354 211 HB3 TRP 30 3HB TRP 30 5.785 2.417 -1.043 212 HD1 TRP 30 1HD TRP 30 4.462 -0.865 -2.052 213 HE1 TRP 30 1HE TRP 30 4.862 -1.278 -4.561 214 HE3 TRP 30 3HE TRP 30 7.805 2.892 -2.971 215 HZ2 TRP 30 2HZ TRP 30 6.391 -0.160 -6.652 216 HZ3 TRP 30 3HZ TRP 30 8.689 3.153 -5.253 217 HH2 TRP 30 2HH TRP 30 7.996 1.656 -7.054 218 H SER 31 HN SER 31 9.217 1.274 1.377 219 HA SER 31 HA SER 31 8.365 3.900 2.404 220 HB2 SER 31 2HB SER 31 7.940 1.881 3.947 221 HB3 SER 31 3HB SER 31 9.692 1.822 4.139 222 HG SER 31 HG SER 31 7.928 3.929 4.827 223 H ASP 32 HN ASP 32 10.352 3.137 0.360 224 HA ASP 32 HA ASP 32 12.803 4.092 1.686 225 HB2 ASP 32 2HB ASP 32 12.895 1.833 0.566 226 HB3 ASP 32 3HB ASP 32 12.629 2.657 -0.968 227 H ARG 33 HN ARG 33 10.441 5.593 0.525 228 HA ARG 33 HA ARG 33 11.970 7.265 -1.360 229 HB2 ARG 33 2HB ARG 33 9.331 6.100 -1.586 230 HB3 ARG 33 3HB ARG 33 9.254 7.853 -1.707 231 HG2 ARG 33 2HG ARG 33 10.733 7.874 -3.563 232 HG3 ARG 33 3HG ARG 33 11.130 6.168 -3.343 233 HD2 ARG 33 2HD ARG 33 8.755 5.615 -3.819 234 HD3 ARG 33 3HD ARG 33 8.468 7.319 -4.171 235 HE ARG 33 HE ARG 33 10.602 6.125 -5.701 236 HH11 ARG 33 1HH1 ARG 33 7.188 6.790 -5.532 237 HH12 ARG 33 2HH1 ARG 33 6.950 6.681 -7.244 238 HH21 ARG 33 1HH2 ARG 33 10.300 5.978 -7.957 239 HH22 ARG 33 2HH2 ARG 33 8.720 6.219 -8.622 240 H HIS 34 HN HIS 34 8.866 7.887 0.209 241 HA HIS 34 HA HIS 34 10.070 9.831 2.007 242 HB2 HIS 34 2HB HIS 34 8.303 10.544 -0.307 243 HB3 HIS 34 3HB HIS 34 8.241 11.505 1.168 244 HD2 HIS 34 2HD HIS 34 10.488 11.001 -1.928 245 HE1 HIS 34 1HE HIS 34 12.390 13.826 0.603 246 HE2 HIS 34 2HE HIS 34 12.342 12.789 -1.692 247 H ARG 35 HN ARG 35 6.746 10.047 1.011 248 HA ARG 35 HA ARG 35 5.655 8.224 2.886 249 HB2 ARG 35 2HB ARG 35 4.604 10.128 4.306 250 HB3 ARG 35 3HB ARG 35 6.243 9.600 4.662 251 HG2 ARG 35 2HG ARG 35 6.841 11.541 2.964 252 HG3 ARG 35 3HG ARG 35 5.276 12.151 3.505 253 HD2 ARG 35 2HD ARG 35 6.846 11.224 5.737 254 HD3 ARG 35 3HD ARG 35 7.742 12.415 4.795 255 HE ARG 35 HE ARG 35 5.346 12.865 6.353 256 HH11 ARG 35 1HH1 ARG 35 7.484 14.060 3.880 257 HH12 ARG 35 2HH1 ARG 35 6.996 15.711 4.071 258 HH21 ARG 35 1HH2 ARG 35 4.693 15.036 6.615 259 HH22 ARG 35 2HH2 ARG 35 5.409 16.265 5.628 260 H ASN 36 HN ASN 36 5.373 9.258 0.118 261 HA ASN 36 HA ASN 36 2.565 10.138 0.207 262 HB2 ASN 36 2HB ASN 36 3.215 10.574 -2.356 263 HB3 ASN 36 3HB ASN 36 3.504 11.765 -1.091 264 HD21 ASN 36 1HD2 ASN 36 5.132 8.832 -2.259 265 HD22 ASN 36 2HD2 ASN 36 6.698 9.552 -2.395 266 H CYS 37 HN CYS 37 1.023 9.109 -1.075 267 HA CYS 37 HA CYS 37 1.353 6.320 -1.402 268 HB2 CYS 37 2HB CYS 37 -0.849 6.927 -0.994 269 HB3 CYS 37 3HB CYS 37 -0.786 8.293 -2.103 270 HA PRO 38 HA PRO 38 3.154 6.053 -5.408 271 HB2 PRO 38 2HB PRO 38 2.330 3.555 -6.084 272 HB3 PRO 38 3HB PRO 38 3.603 3.859 -4.895 273 HG2 PRO 38 2HG PRO 38 0.709 3.233 -4.453 274 HG3 PRO 38 3HG PRO 38 2.132 2.605 -3.602 275 HD2 PRO 38 2HD PRO 38 0.578 4.575 -2.584 276 HD3 PRO 38 3HD PRO 38 2.324 4.480 -2.276 277 H ILE 39 HN ILE 39 -0.159 4.726 -5.247 278 HA ILE 39 HA ILE 39 -0.843 4.947 -7.908 279 HB ILE 39 HB ILE 39 -2.537 5.228 -5.436 280 HG12 ILE 39 2HG1 ILE 39 -2.263 3.040 -7.507 281 HG13 ILE 39 3HG1 ILE 39 -1.560 3.019 -5.894 282 HG21 ILE 39 1HG2 ILE 39 -3.377 5.329 -8.320 283 HG22 ILE 39 2HG2 ILE 39 -4.479 4.867 -7.024 284 HG23 ILE 39 3HG2 ILE 39 -3.749 6.473 -7.030 285 HD11 ILE 39 1HD1 ILE 39 -4.136 3.414 -5.266 286 HD12 ILE 39 2HD1 ILE 39 -4.319 2.505 -6.766 287 HD13 ILE 39 3HD1 ILE 39 -3.399 1.820 -5.427 288 H CYS 40 HN CYS 40 -1.879 7.301 -5.434 289 HA CYS 40 HA CYS 40 -2.843 9.278 -7.022 290 HB2 CYS 40 2HB CYS 40 -1.200 9.557 -4.502 291 HB3 CYS 40 3HB CYS 40 -2.066 10.894 -5.251 292 H ARG 41 HN ARG 41 0.529 8.506 -6.454 293 HA ARG 41 HA ARG 41 1.592 10.847 -7.678 294 HB2 ARG 41 2HB ARG 41 2.678 8.991 -6.099 295 HB3 ARG 41 3HB ARG 41 3.158 8.316 -7.649 296 HG2 ARG 41 2HG ARG 41 3.669 11.198 -7.202 297 HG3 ARG 41 3HG ARG 41 4.666 10.041 -6.319 298 HD2 ARG 41 2HD ARG 41 4.994 8.904 -8.604 299 HD3 ARG 41 3HD ARG 41 4.387 10.416 -9.281 300 HE ARG 41 HE ARG 41 6.447 11.300 -8.907 301 HH11 ARG 41 1HH1 ARG 41 5.958 8.689 -6.657 302 HH12 ARG 41 2HH1 ARG 41 7.539 8.821 -5.959 303 HH21 ARG 41 1HH2 ARG 41 8.531 11.484 -7.996 304 HH22 ARG 41 2HH2 ARG 41 9.001 10.411 -6.721 305 H LEU 42 HN LEU 42 0.701 7.649 -8.827 306 HA LEU 42 HA LEU 42 1.612 8.343 -11.528 307 HB2 LEU 42 2HB LEU 42 0.535 5.692 -10.606 308 HB3 LEU 42 3HB LEU 42 1.466 6.037 -12.063 309 HG LEU 42 HG LEU 42 2.641 6.378 -9.319 310 HD11 LEU 42 1HD1 LEU 42 2.474 3.881 -10.987 311 HD12 LEU 42 2HD1 LEU 42 1.938 4.113 -9.323 312 HD13 LEU 42 3HD1 LEU 42 3.660 4.117 -9.703 313 HD21 LEU 42 1HD2 LEU 42 3.655 6.256 -12.125 314 HD22 LEU 42 2HD2 LEU 42 4.699 5.760 -10.794 315 HD23 LEU 42 3HD2 LEU 42 4.044 7.397 -10.838 Start of MODEL 14 1 H1 GLU 1 HN GLU 1 -13.521 -2.733 5.210 2 HA GLU 1 HA GLU 1 -13.942 -5.518 4.391 3 HB2 GLU 1 2HB GLU 1 -15.834 -4.312 3.015 4 HB3 GLU 1 3HB GLU 1 -16.047 -4.656 4.725 5 HG2 GLU 1 2HG GLU 1 -15.814 -2.454 5.340 6 HG3 GLU 1 3HG GLU 1 -14.901 -2.036 3.892 7 H GLU 2 HN GLU 2 -11.568 -3.953 3.668 8 HA GLU 2 HA GLU 2 -11.841 -4.160 0.749 9 HB2 GLU 2 2HB GLU 2 -11.637 -1.746 1.987 10 HB3 GLU 2 3HB GLU 2 -9.941 -2.121 1.713 11 HG2 GLU 2 2HG GLU 2 -11.061 -0.780 -0.081 12 HG3 GLU 2 3HG GLU 2 -10.245 -2.245 -0.623 13 H GLU 3 HN GLU 3 -9.448 -3.934 -0.199 14 HA GLU 3 HA GLU 3 -7.572 -5.438 1.469 15 HB2 GLU 3 2HB GLU 3 -7.950 -6.287 -1.377 16 HB3 GLU 3 3HB GLU 3 -7.273 -7.189 -0.030 17 HG2 GLU 3 2HG GLU 3 -9.240 -8.250 -0.064 18 HG3 GLU 3 3HG GLU 3 -9.804 -6.844 0.837 19 H CYS 4 HN CYS 4 -5.395 -5.626 0.325 20 HA CYS 4 HA CYS 4 -4.356 -3.112 -0.170 21 HB2 CYS 4 2HB CYS 4 -3.062 -5.189 0.417 22 HB3 CYS 4 3HB CYS 4 -3.222 -5.691 -1.263 23 H CYS 5 HN CYS 5 -4.122 -1.828 -1.910 24 HA CYS 5 HA CYS 5 -5.594 -2.508 -4.299 25 HB2 CYS 5 2HB CYS 5 -5.489 -0.206 -3.133 26 HB3 CYS 5 3HB CYS 5 -3.931 -0.027 -3.931 27 HG CYS 5 HG CYS 5 -6.987 -0.339 -5.434 28 H ILE 6 HN ILE 6 -2.638 -3.353 -3.303 29 HA ILE 6 HA ILE 6 -1.451 -3.153 -5.994 30 HB ILE 6 HB ILE 6 -0.014 -3.512 -3.363 31 HG12 ILE 6 2HG1 ILE 6 -0.269 -1.113 -5.187 32 HG13 ILE 6 3HG1 ILE 6 -0.909 -1.262 -3.554 33 HG21 ILE 6 1HG2 ILE 6 1.800 -4.069 -4.517 34 HG22 ILE 6 2HG2 ILE 6 0.790 -4.172 -5.959 35 HG23 ILE 6 3HG2 ILE 6 1.621 -2.666 -5.569 36 HD11 ILE 6 1HD1 ILE 6 1.994 -1.661 -3.854 37 HD12 ILE 6 2HD1 ILE 6 1.387 -0.029 -4.136 38 HD13 ILE 6 3HD1 ILE 6 1.080 -0.830 -2.595 39 H CYS 7 HN CYS 7 -1.504 -5.260 -3.116 40 HA CYS 7 HA CYS 7 -0.636 -7.552 -4.604 41 HB2 CYS 7 2HB CYS 7 -1.835 -7.412 -1.830 42 HB3 CYS 7 3HB CYS 7 -0.963 -8.778 -2.518 43 H MET 8 HN MET 8 -3.700 -6.201 -3.621 44 HA MET 8 HA MET 8 -5.860 -6.937 -3.848 45 HB2 MET 8 2HB MET 8 -4.612 -7.667 -6.498 46 HB3 MET 8 3HB MET 8 -6.345 -7.724 -6.199 47 HG2 MET 8 2HG MET 8 -5.494 -5.192 -5.351 48 HG3 MET 8 3HG MET 8 -4.690 -5.494 -6.890 49 HE1 MET 8 1HE MET 8 -5.394 -5.441 -8.845 50 HE2 MET 8 2HE MET 8 -6.962 -5.995 -9.433 51 HE3 MET 8 3HE MET 8 -6.662 -4.271 -9.214 52 H ASP 9 HN ASP 9 -4.545 -8.742 -2.311 53 HA ASP 9 HA ASP 9 -5.926 -11.202 -2.997 54 HB2 ASP 9 2HB ASP 9 -4.044 -12.108 -3.864 55 HB3 ASP 9 3HB ASP 9 -3.004 -10.896 -3.120 56 H GLY 10 HN GLY 10 -3.746 -9.585 -0.705 57 HA2 GLY 10 1HA GLY 10 -4.641 -11.191 1.511 58 HA3 GLY 10 2HA GLY 10 -3.571 -9.800 1.594 59 H ARG 11 HN ARG 11 -4.352 -7.964 2.414 60 HA ARG 11 HA ARG 11 -7.170 -7.327 2.237 61 HB2 ARG 11 2HB ARG 11 -7.615 -7.232 4.572 62 HB3 ARG 11 3HB ARG 11 -6.915 -8.815 4.258 63 HG2 ARG 11 2HG ARG 11 -5.173 -6.550 5.133 64 HG3 ARG 11 3HG ARG 11 -6.131 -7.450 6.311 65 HD2 ARG 11 2HD ARG 11 -4.667 -9.147 4.434 66 HD3 ARG 11 3HD ARG 11 -3.626 -8.133 5.433 67 HE ARG 11 HE ARG 11 -4.946 -10.452 6.270 68 HH11 ARG 11 1HH1 ARG 11 -4.388 -7.187 7.339 69 HH12 ARG 11 2HH1 ARG 11 -4.488 -7.582 9.023 70 HH21 ARG 11 1HH2 ARG 11 -5.079 -10.985 8.484 71 HH22 ARG 11 2HH2 ARG 11 -4.880 -9.742 9.673 72 H ALA 12 HN ALA 12 -7.216 -5.356 4.233 73 HA ALA 12 HA ALA 12 -5.135 -3.486 3.305 74 HB1 ALA 12 1HB ALA 12 -8.060 -2.925 3.771 75 HB2 ALA 12 2HB ALA 12 -6.838 -1.687 3.472 76 HB3 ALA 12 3HB ALA 12 -7.198 -2.888 2.232 77 H ASP 13 HN ASP 13 -3.810 -3.197 4.982 78 HA ASP 13 HA ASP 13 -4.793 -3.267 7.705 79 HB2 ASP 13 2HB ASP 13 -2.150 -3.310 6.379 80 HB3 ASP 13 3HB ASP 13 -2.198 -2.530 7.958 81 H LEU 14 HN LEU 14 -4.045 -0.909 5.309 82 HA LEU 14 HA LEU 14 -4.802 1.208 7.162 83 HB2 LEU 14 2HB LEU 14 -2.121 0.758 6.362 84 HB3 LEU 14 3HB LEU 14 -2.680 2.222 5.557 85 HG LEU 14 HG LEU 14 -3.170 1.980 8.477 86 HD11 LEU 14 1HD1 LEU 14 -0.935 1.256 8.507 87 HD12 LEU 14 2HD1 LEU 14 -0.866 2.989 8.824 88 HD13 LEU 14 3HD1 LEU 14 -0.469 2.369 7.220 89 HD21 LEU 14 1HD2 LEU 14 -3.996 3.950 7.552 90 HD22 LEU 14 2HD2 LEU 14 -2.603 4.151 6.490 91 HD23 LEU 14 3HD2 LEU 14 -2.439 4.434 8.224 92 H ILE 15 HN ILE 15 -6.233 2.518 6.236 93 HA ILE 15 HA ILE 15 -6.451 2.489 3.303 94 HB ILE 15 HB ILE 15 -8.564 3.371 5.268 95 HG12 ILE 15 2HG1 ILE 15 -8.244 0.699 3.883 96 HG13 ILE 15 3HG1 ILE 15 -8.035 0.996 5.605 97 HG21 ILE 15 1HG2 ILE 15 -8.439 4.015 2.698 98 HG22 ILE 15 2HG2 ILE 15 -9.165 2.419 2.525 99 HG23 ILE 15 3HG2 ILE 15 -9.967 3.650 3.499 100 HD11 ILE 15 1HD1 ILE 15 -10.396 0.336 4.196 101 HD12 ILE 15 2HD1 ILE 15 -10.184 0.613 5.925 102 HD13 ILE 15 3HD1 ILE 15 -10.591 1.958 4.860 103 H LEU 16 HN LEU 16 -4.812 4.086 3.027 104 HA LEU 16 HA LEU 16 -4.463 6.501 4.174 105 HB2 LEU 16 2HB LEU 16 -4.406 5.800 1.249 106 HB3 LEU 16 3HB LEU 16 -3.881 7.366 1.866 107 HG LEU 16 HG LEU 16 -2.646 4.688 2.505 108 HD11 LEU 16 1HD1 LEU 16 -2.331 6.207 0.253 109 HD12 LEU 16 2HD1 LEU 16 -1.149 5.065 0.890 110 HD13 LEU 16 3HD1 LEU 16 -1.018 6.780 1.282 111 HD21 LEU 16 1HD2 LEU 16 -0.864 6.353 3.461 112 HD22 LEU 16 2HD2 LEU 16 -2.246 5.859 4.439 113 HD23 LEU 16 3HD2 LEU 16 -2.255 7.423 3.625 114 HA PRO 17 HA PRO 17 -8.043 8.996 3.686 115 HB2 PRO 17 2HB PRO 17 -6.930 11.464 3.481 116 HB3 PRO 17 3HB PRO 17 -6.982 10.557 4.997 117 HG2 PRO 17 2HG PRO 17 -4.731 10.857 3.047 118 HG3 PRO 17 3HG PRO 17 -4.692 10.916 4.819 119 HD2 PRO 17 2HD PRO 17 -3.963 8.717 3.419 120 HD3 PRO 17 3HD PRO 17 -4.719 8.621 5.022 121 H CYS 18 HN CYS 18 -5.998 8.353 1.188 122 HA CYS 18 HA CYS 18 -7.330 10.177 -0.688 123 HB2 CYS 18 2HB CYS 18 -5.555 9.608 -2.262 124 HB3 CYS 18 3HB CYS 18 -4.865 10.150 -0.736 125 H ALA 19 HN ALA 19 -7.859 7.238 0.563 126 HA ALA 19 HA ALA 19 -9.299 5.568 -0.048 127 HB1 ALA 19 1HB ALA 19 -10.148 7.580 -1.609 128 HB2 ALA 19 2HB ALA 19 -9.607 6.446 -2.848 129 HB3 ALA 19 3HB ALA 19 -10.823 5.951 -1.671 130 H HIS 20 HN HIS 20 -6.614 5.106 -0.119 131 HA HIS 20 HA HIS 20 -6.436 3.097 -2.226 132 HB2 HIS 20 2HB HIS 20 -4.461 5.331 -1.814 133 HB3 HIS 20 3HB HIS 20 -3.982 3.809 -2.556 134 HD2 HIS 20 2HD HIS 20 -6.443 3.363 -4.615 135 HE1 HIS 20 1HE HIS 20 -5.529 7.272 -5.988 136 HE2 HIS 20 2HE HIS 20 -6.775 5.136 -6.469 137 H SER 21 HN SER 21 -6.529 1.422 -0.802 138 HA SER 21 HA SER 21 -5.203 1.335 1.687 139 HB2 SER 21 2HB SER 21 -6.833 -0.256 1.698 140 HB3 SER 21 3HB SER 21 -6.672 -0.581 -0.028 141 HG SER 21 HG SER 21 -5.084 -1.557 2.100 142 H PHE 22 HN PHE 22 -3.458 -0.128 2.301 143 HA PHE 22 HA PHE 22 -1.672 -1.123 0.287 144 HB2 PHE 22 2HB PHE 22 -0.822 1.257 1.952 145 HB3 PHE 22 3HB PHE 22 0.252 0.298 0.940 146 HD1 PHE 22 1HD PHE 22 -0.313 0.168 -1.563 147 HD2 PHE 22 2HD PHE 22 -1.924 3.095 1.075 148 HE1 PHE 22 1HE PHE 22 -0.840 1.607 -3.487 149 HE2 PHE 22 2HE PHE 22 -2.454 4.538 -0.846 150 HZ PHE 22 HZ PHE 22 -1.913 3.795 -3.131 151 H CYS 23 HN CYS 23 -1.883 -3.064 1.393 152 HA CYS 23 HA CYS 23 -1.803 -3.649 4.029 153 HB2 CYS 23 2HB CYS 23 -1.009 -5.818 3.480 154 HB3 CYS 23 3HB CYS 23 -1.921 -5.271 2.077 155 H GLN 24 HN GLN 24 -0.315 -3.869 5.655 156 HA GLN 24 HA GLN 24 1.708 -2.160 6.030 157 HB2 GLN 24 2HB GLN 24 0.785 -4.097 7.544 158 HB3 GLN 24 3HB GLN 24 2.186 -4.971 6.940 159 HG2 GLN 24 2HG GLN 24 2.865 -4.023 8.968 160 HG3 GLN 24 3HG GLN 24 3.577 -3.008 7.714 161 HE21 GLN 24 1HE2 GLN 24 3.657 -1.038 8.550 162 HE22 GLN 24 2HE2 GLN 24 2.334 -0.197 9.273 163 H LYS 25 HN LYS 25 2.318 -5.475 4.852 164 HA LYS 25 HA LYS 25 4.939 -5.492 4.350 165 HB2 LYS 25 2HB LYS 25 2.645 -6.753 3.139 166 HB3 LYS 25 3HB LYS 25 3.874 -6.436 1.922 167 HG2 LYS 25 2HG LYS 25 5.527 -7.579 3.400 168 HG3 LYS 25 3HG LYS 25 4.185 -8.028 4.455 169 HD2 LYS 25 2HD LYS 25 3.189 -9.364 2.773 170 HD3 LYS 25 3HD LYS 25 4.238 -8.697 1.521 171 HE2 LYS 25 2HE LYS 25 5.892 -9.796 3.544 172 HE3 LYS 25 3HE LYS 25 4.648 -10.985 3.165 173 HZ1 LYS 25 1HZ LYS 25 5.707 -11.476 1.301 174 HZ2 LYS 25 2HZ LYS 25 6.938 -10.389 1.704 175 HZ3 LYS 25 3HZ LYS 25 5.625 -9.871 0.774 176 H CYS 26 HN CYS 26 2.629 -4.189 1.960 177 HA CYS 26 HA CYS 26 4.583 -3.113 0.249 178 HB2 CYS 26 2HB CYS 26 1.666 -2.453 0.648 179 HB3 CYS 26 3HB CYS 26 2.652 -1.687 -0.593 180 H ILE 27 HN ILE 27 2.819 -1.727 2.974 181 HA ILE 27 HA ILE 27 3.729 0.929 2.645 182 HB ILE 27 HB ILE 27 2.151 -0.519 4.564 183 HG12 ILE 27 2HG1 ILE 27 2.383 2.465 4.469 184 HG13 ILE 27 3HG1 ILE 27 1.750 1.609 3.067 185 HG21 ILE 27 1HG2 ILE 27 4.184 1.391 5.707 186 HG22 ILE 27 2HG2 ILE 27 2.761 0.803 6.567 187 HG23 ILE 27 3HG2 ILE 27 4.021 -0.327 6.071 188 HD11 ILE 27 1HD1 ILE 27 0.263 2.496 5.150 189 HD12 ILE 27 2HD1 ILE 27 -0.205 1.189 4.061 190 HD13 ILE 27 3HD1 ILE 27 0.546 0.819 5.614 191 H ASP 28 HN ASP 28 5.209 -1.909 3.917 192 HA ASP 28 HA ASP 28 7.274 -0.402 5.320 193 HB2 ASP 28 2HB ASP 28 6.113 -2.829 5.839 194 HB3 ASP 28 3HB ASP 28 7.620 -3.310 5.066 195 H LYS 29 HN LYS 29 6.739 -2.049 2.329 196 HA LYS 29 HA LYS 29 9.529 -2.325 1.665 197 HB2 LYS 29 2HB LYS 29 8.072 -3.941 0.706 198 HB3 LYS 29 3HB LYS 29 6.976 -2.703 0.107 199 HG2 LYS 29 2HG LYS 29 8.066 -2.594 -1.814 200 HG3 LYS 29 3HG LYS 29 9.592 -2.285 -0.981 201 HD2 LYS 29 2HD LYS 29 8.473 -5.060 -1.130 202 HD3 LYS 29 3HD LYS 29 9.375 -4.384 -2.488 203 HE2 LYS 29 2HE LYS 29 11.013 -5.480 -1.259 204 HE3 LYS 29 3HE LYS 29 11.164 -3.807 -0.722 205 HZ1 LYS 29 1HZ LYS 29 10.473 -4.317 1.338 206 HZ2 LYS 29 2HZ LYS 29 10.960 -5.885 0.933 207 HZ3 LYS 29 3HZ LYS 29 9.331 -5.448 0.811 208 H TRP 30 HN TRP 30 7.143 -0.811 -0.446 209 HA TRP 30 HA TRP 30 8.670 0.889 -1.827 210 HB2 TRP 30 2HB TRP 30 5.925 1.397 -0.686 211 HB3 TRP 30 3HB TRP 30 6.699 2.517 -1.803 212 HD1 TRP 30 1HD TRP 30 4.768 -0.704 -1.697 213 HE1 TRP 30 1HE TRP 30 4.434 -1.592 -4.089 214 HE3 TRP 30 3HE TRP 30 7.964 2.423 -4.175 215 HZ2 TRP 30 2HZ TRP 30 5.399 -1.041 -6.683 216 HZ3 TRP 30 3HZ TRP 30 8.201 2.176 -6.612 217 HH2 TRP 30 2HH TRP 30 6.945 0.478 -7.838 218 H SER 31 HN SER 31 7.390 1.606 1.409 219 HA SER 31 HA SER 31 7.900 3.236 2.922 220 HB2 SER 31 2HB SER 31 9.968 1.791 2.915 221 HB3 SER 31 3HB SER 31 10.701 2.957 1.815 222 HG SER 31 HG SER 31 11.214 3.348 4.031 223 H ASP 32 HN ASP 32 6.666 4.551 1.136 224 HA ASP 32 HA ASP 32 7.918 6.353 -0.544 225 HB2 ASP 32 2HB ASP 32 5.304 6.269 0.863 226 HB3 ASP 32 3HB ASP 32 5.807 7.830 0.219 227 H ARG 33 HN ARG 33 7.408 6.537 2.926 228 HA ARG 33 HA ARG 33 8.258 7.910 4.528 229 HB2 ARG 33 2HB ARG 33 10.225 8.282 2.298 230 HB3 ARG 33 3HB ARG 33 10.340 9.287 3.736 231 HG2 ARG 33 2HG ARG 33 10.200 6.307 3.961 232 HG3 ARG 33 3HG ARG 33 11.725 7.124 3.614 233 HD2 ARG 33 2HD ARG 33 11.964 7.737 5.739 234 HD3 ARG 33 3HD ARG 33 10.335 8.409 5.789 235 HE ARG 33 HE ARG 33 10.273 5.577 5.945 236 HH11 ARG 33 1HH1 ARG 33 10.963 8.434 7.812 237 HH12 ARG 33 2HH1 ARG 33 10.575 7.694 9.330 238 HH21 ARG 33 1HH2 ARG 33 9.760 4.592 7.937 239 HH22 ARG 33 2HH2 ARG 33 9.892 5.509 9.400 240 H HIS 34 HN HIS 34 6.498 8.905 2.086 241 HA HIS 34 HA HIS 34 6.693 11.766 2.763 242 HB2 HIS 34 2HB HIS 34 5.914 10.350 0.236 243 HB3 HIS 34 3HB HIS 34 5.307 11.970 0.559 244 HD2 HIS 34 2HD HIS 34 8.988 11.164 1.534 245 HE1 HIS 34 1HE HIS 34 9.026 13.659 -1.898 246 HE2 HIS 34 2HE HIS 34 10.424 12.502 -0.151 247 H ARG 35 HN ARG 35 4.678 8.964 2.730 248 HA ARG 35 HA ARG 35 2.718 8.595 3.873 249 HB2 ARG 35 2HB ARG 35 3.513 10.813 5.117 250 HB3 ARG 35 3HB ARG 35 2.148 11.494 4.242 251 HG2 ARG 35 2HG ARG 35 0.827 10.771 5.861 252 HG3 ARG 35 3HG ARG 35 1.205 9.118 5.373 253 HD2 ARG 35 2HD ARG 35 2.755 8.835 7.037 254 HD3 ARG 35 3HD ARG 35 3.135 10.554 7.121 255 HE ARG 35 HE ARG 35 1.439 10.832 8.646 256 HH11 ARG 35 1HH1 ARG 35 1.204 7.679 7.190 257 HH12 ARG 35 2HH1 ARG 35 0.001 7.112 8.300 258 HH21 ARG 35 1HH2 ARG 35 -0.145 10.097 10.115 259 HH22 ARG 35 2HH2 ARG 35 -0.766 8.489 9.963 260 H ASN 36 HN ASN 36 3.179 10.562 1.182 261 HA ASN 36 HA ASN 36 0.564 11.272 0.472 262 HB2 ASN 36 2HB ASN 36 1.606 11.064 -1.939 263 HB3 ASN 36 3HB ASN 36 2.142 12.331 -0.840 264 HD21 ASN 36 1HD2 ASN 36 3.031 9.074 -0.180 265 HD22 ASN 36 2HD2 ASN 36 4.688 9.202 -0.653 266 H CYS 37 HN CYS 37 2.125 9.086 -1.735 267 HA CYS 37 HA CYS 37 1.095 6.642 -1.273 268 HB2 CYS 37 2HB CYS 37 -1.138 7.133 -1.060 269 HB3 CYS 37 3HB CYS 37 -1.052 8.510 -2.154 270 HA PRO 38 HA PRO 38 3.100 6.075 -5.150 271 HB2 PRO 38 2HB PRO 38 2.363 3.508 -5.642 272 HB3 PRO 38 3HB PRO 38 3.567 3.944 -4.425 273 HG2 PRO 38 2HG PRO 38 0.669 3.287 -4.071 274 HG3 PRO 38 3HG PRO 38 2.059 2.771 -3.100 275 HD2 PRO 38 2HD PRO 38 0.417 4.782 -2.335 276 HD3 PRO 38 3HD PRO 38 2.146 4.759 -1.936 277 H ILE 39 HN ILE 39 -0.187 4.683 -5.035 278 HA ILE 39 HA ILE 39 -0.620 4.953 -7.831 279 HB ILE 39 HB ILE 39 -2.716 4.671 -5.677 280 HG12 ILE 39 2HG1 ILE 39 -1.065 2.594 -7.120 281 HG13 ILE 39 3HG1 ILE 39 -1.159 2.874 -5.385 282 HG21 ILE 39 1HG2 ILE 39 -2.712 4.232 -8.647 283 HG22 ILE 39 2HG2 ILE 39 -3.911 3.487 -7.592 284 HG23 ILE 39 3HG2 ILE 39 -3.788 5.243 -7.685 285 HD11 ILE 39 1HD1 ILE 39 -2.541 1.104 -5.487 286 HD12 ILE 39 2HD1 ILE 39 -3.732 2.342 -5.888 287 HD13 ILE 39 3HD1 ILE 39 -2.973 1.399 -7.171 288 H CYS 40 HN CYS 40 -0.359 7.274 -5.527 289 HA CYS 40 HA CYS 40 -2.431 9.019 -6.634 290 HB2 CYS 40 2HB CYS 40 -0.909 8.905 -4.109 291 HB3 CYS 40 3HB CYS 40 -1.185 10.525 -4.738 292 H ARG 41 HN ARG 41 0.953 8.440 -6.766 293 HA ARG 41 HA ARG 41 1.677 11.067 -7.691 294 HB2 ARG 41 2HB ARG 41 3.889 10.098 -8.073 295 HB3 ARG 41 3HB ARG 41 3.288 9.679 -6.474 296 HG2 ARG 41 2HG ARG 41 3.413 7.504 -6.902 297 HG3 ARG 41 3HG ARG 41 2.570 7.685 -8.441 298 HD2 ARG 41 2HD ARG 41 4.482 7.724 -9.626 299 HD3 ARG 41 3HD ARG 41 5.325 8.695 -8.419 300 HE ARG 41 HE ARG 41 5.144 6.283 -7.227 301 HH11 ARG 41 1HH1 ARG 41 6.261 7.303 -10.363 302 HH12 ARG 41 2HH1 ARG 41 7.422 6.025 -10.510 303 HH21 ARG 41 1HH2 ARG 41 6.669 4.595 -7.409 304 HH22 ARG 41 2HH2 ARG 41 7.652 4.484 -8.829 305 H LEU 42 HN LEU 42 -0.129 10.922 -9.355 306 HA LEU 42 HA LEU 42 1.002 10.669 -11.919 307 HB2 LEU 42 2HB LEU 42 -0.585 8.847 -12.715 308 HB3 LEU 42 3HB LEU 42 0.833 8.347 -11.797 309 HG LEU 42 HG LEU 42 -0.479 7.879 -9.868 310 HD11 LEU 42 1HD1 LEU 42 -2.722 9.225 -11.354 311 HD12 LEU 42 2HD1 LEU 42 -1.995 9.704 -9.821 312 HD13 LEU 42 3HD1 LEU 42 -2.963 8.234 -9.915 313 HD21 LEU 42 1HD2 LEU 42 -1.699 6.046 -10.611 314 HD22 LEU 42 2HD2 LEU 42 -0.539 6.309 -11.912 315 HD23 LEU 42 3HD2 LEU 42 -2.206 6.857 -12.094 Start of MODEL 15 1 H1 GLU 1 HN GLU 1 -14.931 -6.243 3.597 2 HA GLU 1 HA GLU 1 -13.225 -4.089 4.626 3 HB2 GLU 1 2HB GLU 1 -11.738 -5.743 5.412 4 HB3 GLU 1 3HB GLU 1 -13.344 -6.361 5.773 5 HG2 GLU 1 2HG GLU 1 -13.073 -7.545 3.453 6 HG3 GLU 1 3HG GLU 1 -11.356 -7.301 3.771 7 H GLU 2 HN GLU 2 -12.020 -3.008 3.228 8 HA GLU 2 HA GLU 2 -11.751 -3.739 0.512 9 HB2 GLU 2 2HB GLU 2 -9.932 -1.888 0.587 10 HB3 GLU 2 3HB GLU 2 -11.610 -1.449 0.872 11 HG2 GLU 2 2HG GLU 2 -10.111 -2.168 3.283 12 HG3 GLU 2 3HG GLU 2 -9.527 -0.730 2.448 13 H GLU 3 HN GLU 3 -9.384 -3.616 -0.462 14 HA GLU 3 HA GLU 3 -7.536 -5.255 1.101 15 HB2 GLU 3 2HB GLU 3 -8.509 -5.999 -1.663 16 HB3 GLU 3 3HB GLU 3 -7.203 -6.799 -0.802 17 HG2 GLU 3 2HG GLU 3 -8.626 -7.799 0.709 18 HG3 GLU 3 3HG GLU 3 -9.901 -6.609 0.453 19 H CYS 4 HN CYS 4 -5.365 -5.236 0.307 20 HA CYS 4 HA CYS 4 -4.252 -2.878 -0.315 21 HB2 CYS 4 2HB CYS 4 -3.084 -5.104 0.126 22 HB3 CYS 4 3HB CYS 4 -3.221 -5.402 -1.603 23 H CYS 5 HN CYS 5 -3.536 -1.774 -2.175 24 HA CYS 5 HA CYS 5 -5.210 -2.274 -4.533 25 HB2 CYS 5 2HB CYS 5 -4.577 0.074 -3.108 26 HB3 CYS 5 3HB CYS 5 -3.753 0.208 -4.656 27 HG CYS 5 HG CYS 5 -6.535 -0.755 -5.671 28 H ILE 6 HN ILE 6 -2.482 -3.455 -3.681 29 HA ILE 6 HA ILE 6 -1.222 -3.088 -6.312 30 HB ILE 6 HB ILE 6 0.228 -3.190 -3.665 31 HG12 ILE 6 2HG1 ILE 6 0.301 -1.021 -5.762 32 HG13 ILE 6 3HG1 ILE 6 -0.842 -1.003 -4.424 33 HG21 ILE 6 1HG2 ILE 6 1.364 -4.486 -5.430 34 HG22 ILE 6 2HG2 ILE 6 1.380 -3.046 -6.447 35 HG23 ILE 6 3HG2 ILE 6 2.283 -3.065 -4.932 36 HD11 ILE 6 1HD1 ILE 6 2.149 -0.818 -4.308 37 HD12 ILE 6 2HD1 ILE 6 0.954 0.368 -3.782 38 HD13 ILE 6 3HD1 ILE 6 1.154 -1.139 -2.889 39 H CYS 7 HN CYS 7 -1.786 -5.122 -3.511 40 HA CYS 7 HA CYS 7 -1.200 -7.470 -5.178 41 HB2 CYS 7 2HB CYS 7 -0.085 -8.588 -3.364 42 HB3 CYS 7 3HB CYS 7 0.687 -7.024 -3.594 43 H MET 8 HN MET 8 -3.702 -6.717 -5.105 44 HA MET 8 HA MET 8 -5.473 -7.118 -3.157 45 HB2 MET 8 2HB MET 8 -5.550 -8.123 -5.988 46 HB3 MET 8 3HB MET 8 -6.909 -8.379 -4.901 47 HG2 MET 8 2HG MET 8 -7.149 -5.990 -4.593 48 HG3 MET 8 3HG MET 8 -5.739 -5.698 -5.608 49 HE1 MET 8 1HE MET 8 -9.975 -6.423 -6.447 50 HE2 MET 8 2HE MET 8 -9.083 -5.688 -5.115 51 HE3 MET 8 3HE MET 8 -9.404 -4.759 -6.579 52 H ASP 9 HN ASP 9 -4.855 -8.478 -1.504 53 HA ASP 9 HA ASP 9 -5.788 -11.047 -1.415 54 HB2 ASP 9 2HB ASP 9 -3.154 -10.886 -2.709 55 HB3 ASP 9 3HB ASP 9 -3.233 -12.042 -1.382 56 H GLY 10 HN GLY 10 -3.338 -8.789 -0.371 57 HA2 GLY 10 1HA GLY 10 -3.094 -10.086 2.233 58 HA3 GLY 10 2HA GLY 10 -2.170 -8.702 1.669 59 H ARG 11 HN ARG 11 -5.564 -8.578 1.181 60 HA ARG 11 HA ARG 11 -7.165 -7.179 1.995 61 HB2 ARG 11 2HB ARG 11 -5.797 -8.079 4.522 62 HB3 ARG 11 3HB ARG 11 -7.196 -7.014 4.555 63 HG2 ARG 11 2HG ARG 11 -8.245 -9.013 4.778 64 HG3 ARG 11 3HG ARG 11 -8.221 -8.902 3.017 65 HD2 ARG 11 2HD ARG 11 -6.852 -10.659 2.822 66 HD3 ARG 11 3HD ARG 11 -5.799 -10.088 4.115 67 HE ARG 11 HE ARG 11 -8.044 -11.028 5.378 68 HH11 ARG 11 1HH1 ARG 11 -5.667 -12.339 3.200 69 HH12 ARG 11 2HH1 ARG 11 -5.796 -13.952 3.822 70 HH21 ARG 11 1HH2 ARG 11 -8.224 -13.145 6.205 71 HH22 ARG 11 2HH2 ARG 11 -7.251 -14.409 5.531 72 H ALA 12 HN ALA 12 -7.551 -5.130 3.319 73 HA ALA 12 HA ALA 12 -5.262 -3.342 2.887 74 HB1 ALA 12 1HB ALA 12 -7.065 -1.544 3.061 75 HB2 ALA 12 2HB ALA 12 -7.091 -2.581 1.634 76 HB3 ALA 12 3HB ALA 12 -8.226 -2.867 2.953 77 H ASP 13 HN ASP 13 -4.114 -3.476 4.771 78 HA ASP 13 HA ASP 13 -5.466 -3.228 7.329 79 HB2 ASP 13 2HB ASP 13 -3.428 -4.728 6.830 80 HB3 ASP 13 3HB ASP 13 -2.484 -3.242 6.921 81 H LEU 14 HN LEU 14 -4.426 -1.121 4.998 82 HA LEU 14 HA LEU 14 -4.473 1.100 6.876 83 HB2 LEU 14 2HB LEU 14 -2.052 0.160 6.176 84 HB3 LEU 14 3HB LEU 14 -2.336 1.281 4.846 85 HG LEU 14 HG LEU 14 -1.323 2.746 6.217 86 HD11 LEU 14 1HD1 LEU 14 -2.840 4.175 7.125 87 HD12 LEU 14 2HD1 LEU 14 -3.725 2.893 7.951 88 HD13 LEU 14 3HD1 LEU 14 -3.946 3.143 6.218 89 HD21 LEU 14 1HD2 LEU 14 -0.594 1.137 7.830 90 HD22 LEU 14 2HD2 LEU 14 -2.213 1.022 8.524 91 HD23 LEU 14 3HD2 LEU 14 -1.281 2.510 8.700 92 H ILE 15 HN ILE 15 -6.175 2.163 6.074 93 HA ILE 15 HA ILE 15 -6.424 2.482 3.170 94 HB ILE 15 HB ILE 15 -8.483 3.335 5.187 95 HG12 ILE 15 2HG1 ILE 15 -9.316 0.892 4.132 96 HG13 ILE 15 3HG1 ILE 15 -7.624 0.634 4.539 97 HG21 ILE 15 1HG2 ILE 15 -8.891 2.335 2.385 98 HG22 ILE 15 2HG2 ILE 15 -9.996 3.269 3.392 99 HG23 ILE 15 3HG2 ILE 15 -8.544 4.028 2.738 100 HD11 ILE 15 1HD1 ILE 15 -9.851 1.479 6.364 101 HD12 ILE 15 2HD1 ILE 15 -8.894 -0.002 6.422 102 HD13 ILE 15 3HD1 ILE 15 -8.149 1.545 6.818 103 H LEU 16 HN LEU 16 -4.863 4.091 2.854 104 HA LEU 16 HA LEU 16 -4.429 6.397 4.259 105 HB2 LEU 16 2HB LEU 16 -4.349 5.881 1.300 106 HB3 LEU 16 3HB LEU 16 -3.853 7.421 1.998 107 HG LEU 16 HG LEU 16 -2.561 4.725 2.355 108 HD11 LEU 16 1HD1 LEU 16 -2.065 6.129 0.327 109 HD12 LEU 16 2HD1 LEU 16 -0.672 5.719 1.328 110 HD13 LEU 16 3HD1 LEU 16 -1.381 7.331 1.423 111 HD21 LEU 16 1HD2 LEU 16 -0.925 6.356 3.696 112 HD22 LEU 16 2HD2 LEU 16 -2.217 5.442 4.476 113 HD23 LEU 16 3HD2 LEU 16 -2.462 7.140 4.060 114 HA PRO 17 HA PRO 17 -7.950 8.996 3.927 115 HB2 PRO 17 2HB PRO 17 -6.798 11.451 3.802 116 HB3 PRO 17 3HB PRO 17 -6.838 10.483 5.281 117 HG2 PRO 17 2HG PRO 17 -4.618 10.828 3.301 118 HG3 PRO 17 3HG PRO 17 -4.545 10.812 5.073 119 HD2 PRO 17 2HD PRO 17 -3.881 8.661 3.567 120 HD3 PRO 17 3HD PRO 17 -4.608 8.510 5.179 121 H CYS 18 HN CYS 18 -5.965 8.423 1.364 122 HA CYS 18 HA CYS 18 -7.290 10.353 -0.408 123 HB2 CYS 18 2HB CYS 18 -5.568 9.670 -2.069 124 HB3 CYS 18 3HB CYS 18 -4.880 10.353 -0.599 125 H ALA 19 HN ALA 19 -7.773 7.317 0.709 126 HA ALA 19 HA ALA 19 -9.343 5.763 0.064 127 HB1 ALA 19 1HB ALA 19 -9.463 6.940 -2.688 128 HB2 ALA 19 2HB ALA 19 -10.710 6.073 -1.790 129 HB3 ALA 19 3HB ALA 19 -10.276 7.719 -1.330 130 H HIS 20 HN HIS 20 -6.558 5.379 -0.077 131 HA HIS 20 HA HIS 20 -6.441 3.351 -2.195 132 HB2 HIS 20 2HB HIS 20 -4.343 5.428 -1.574 133 HB3 HIS 20 3HB HIS 20 -3.977 3.946 -2.453 134 HD2 HIS 20 2HD HIS 20 -6.212 3.810 -4.679 135 HE1 HIS 20 1HE HIS 20 -5.361 7.892 -5.466 136 HE2 HIS 20 2HE HIS 20 -6.501 5.806 -6.300 137 H SER 21 HN SER 21 -6.287 1.465 -1.188 138 HA SER 21 HA SER 21 -5.266 1.228 1.480 139 HB2 SER 21 2HB SER 21 -5.698 -1.213 1.144 140 HB3 SER 21 3HB SER 21 -7.100 -0.198 0.805 141 HG SER 21 HG SER 21 -6.688 -0.423 -1.391 142 H PHE 22 HN PHE 22 -3.531 -0.213 2.113 143 HA PHE 22 HA PHE 22 -1.602 -1.083 0.183 144 HB2 PHE 22 2HB PHE 22 -0.928 1.281 1.947 145 HB3 PHE 22 3HB PHE 22 0.249 0.359 1.017 146 HD1 PHE 22 1HD PHE 22 -0.116 0.239 -1.526 147 HD2 PHE 22 2HD PHE 22 -1.992 3.106 1.001 148 HE1 PHE 22 1HE PHE 22 -0.521 1.687 -3.474 149 HE2 PHE 22 2HE PHE 22 -2.400 4.557 -0.943 150 HZ PHE 22 HZ PHE 22 -1.666 3.848 -3.184 151 H CYS 23 HN CYS 23 -1.947 -3.050 1.272 152 HA CYS 23 HA CYS 23 -1.922 -3.649 3.912 153 HB2 CYS 23 2HB CYS 23 -1.320 -5.841 3.351 154 HB3 CYS 23 3HB CYS 23 -2.037 -5.220 1.868 155 H GLN 24 HN GLN 24 -0.374 -4.176 5.485 156 HA GLN 24 HA GLN 24 1.703 -2.474 5.900 157 HB2 GLN 24 2HB GLN 24 1.072 -5.201 6.892 158 HB3 GLN 24 3HB GLN 24 2.695 -4.596 7.200 159 HG2 GLN 24 2HG GLN 24 0.732 -2.594 7.836 160 HG3 GLN 24 3HG GLN 24 0.386 -4.103 8.681 161 HE21 GLN 24 1HE2 GLN 24 2.099 -1.269 8.779 162 HE22 GLN 24 2HE2 GLN 24 3.269 -1.694 9.975 163 H LYS 25 HN LYS 25 2.139 -5.812 4.712 164 HA LYS 25 HA LYS 25 4.751 -5.979 4.214 165 HB2 LYS 25 2HB LYS 25 2.842 -6.656 1.988 166 HB3 LYS 25 3HB LYS 25 4.323 -7.487 2.447 167 HG2 LYS 25 2HG LYS 25 3.102 -7.981 4.660 168 HG3 LYS 25 3HG LYS 25 1.639 -7.554 3.767 169 HD2 LYS 25 2HD LYS 25 1.612 -9.528 2.736 170 HD3 LYS 25 3HD LYS 25 3.295 -9.351 2.233 171 HE2 LYS 25 2HE LYS 25 2.820 -10.007 5.077 172 HE3 LYS 25 3HE LYS 25 2.449 -11.270 3.904 173 HZ1 LYS 25 1HZ LYS 25 4.603 -11.735 3.905 174 HZ2 LYS 25 2HZ LYS 25 4.980 -10.371 4.829 175 HZ3 LYS 25 3HZ LYS 25 4.889 -10.252 3.144 176 H CYS 26 HN CYS 26 2.507 -4.367 1.961 177 HA CYS 26 HA CYS 26 4.583 -3.408 0.265 178 HB2 CYS 26 2HB CYS 26 1.672 -2.648 0.543 179 HB3 CYS 26 3HB CYS 26 2.739 -1.954 -0.674 180 H ILE 27 HN ILE 27 2.778 -2.051 2.967 181 HA ILE 27 HA ILE 27 3.731 0.604 2.701 182 HB ILE 27 HB ILE 27 1.983 -0.782 4.449 183 HG12 ILE 27 2HG1 ILE 27 2.610 2.158 4.591 184 HG13 ILE 27 3HG1 ILE 27 1.808 1.466 3.186 185 HG21 ILE 27 1HG2 ILE 27 2.590 0.074 6.623 186 HG22 ILE 27 2HG2 ILE 27 3.907 -0.911 5.990 187 HG23 ILE 27 3HG2 ILE 27 4.025 0.848 5.952 188 HD11 ILE 27 1HD1 ILE 27 0.561 0.651 5.668 189 HD12 ILE 27 2HD1 ILE 27 0.594 2.403 5.469 190 HD13 ILE 27 3HD1 ILE 27 -0.147 1.388 4.232 191 H ASP 28 HN ASP 28 5.205 -2.264 3.789 192 HA ASP 28 HA ASP 28 7.217 -0.829 5.358 193 HB2 ASP 28 2HB ASP 28 6.194 -3.572 5.296 194 HB3 ASP 28 3HB ASP 28 7.952 -3.487 5.377 195 H LYS 29 HN LYS 29 6.807 -2.636 2.387 196 HA LYS 29 HA LYS 29 9.612 -2.749 1.779 197 HB2 LYS 29 2HB LYS 29 7.084 -3.483 0.375 198 HB3 LYS 29 3HB LYS 29 8.538 -3.267 -0.592 199 HG2 LYS 29 2HG LYS 29 9.022 -4.910 1.745 200 HG3 LYS 29 3HG LYS 29 7.750 -5.569 0.713 201 HD2 LYS 29 2HD LYS 29 10.227 -4.586 -0.600 202 HD3 LYS 29 3HD LYS 29 10.322 -6.099 0.304 203 HE2 LYS 29 2HE LYS 29 9.472 -7.142 -1.464 204 HE3 LYS 29 3HE LYS 29 7.969 -6.255 -1.212 205 HZ1 LYS 29 1HZ LYS 29 8.500 -5.702 -3.361 206 HZ2 LYS 29 2HZ LYS 29 10.168 -5.685 -3.079 207 HZ3 LYS 29 3HZ LYS 29 9.203 -4.412 -2.522 208 H TRP 30 HN TRP 30 6.920 -0.641 0.981 209 HA TRP 30 HA TRP 30 8.782 1.089 -0.510 210 HB2 TRP 30 2HB TRP 30 5.789 1.223 -0.776 211 HB3 TRP 30 3HB TRP 30 7.021 1.813 -1.888 212 HD1 TRP 30 1HD TRP 30 4.742 -1.043 -1.367 213 HE1 TRP 30 1HE TRP 30 5.318 -2.966 -2.975 214 HE3 TRP 30 3HE TRP 30 9.306 0.595 -2.989 215 HZ2 TRP 30 2HZ TRP 30 7.428 -3.695 -4.703 216 HZ3 TRP 30 3HZ TRP 30 10.538 -0.775 -4.620 217 HH2 TRP 30 2HH TRP 30 9.617 -2.875 -5.457 218 H SER 31 HN SER 31 8.433 3.407 -0.306 219 HA SER 31 HA SER 31 8.438 5.251 1.043 220 HB2 SER 31 2HB SER 31 5.769 4.243 0.803 221 HB3 SER 31 3HB SER 31 5.969 4.937 2.412 222 HG SER 31 HG SER 31 5.691 6.767 1.426 223 H ASP 32 HN ASP 32 7.452 5.860 3.499 224 HA ASP 32 HA ASP 32 7.982 3.862 5.462 225 HB2 ASP 32 2HB ASP 32 9.969 5.424 6.358 226 HB3 ASP 32 3HB ASP 32 10.248 4.043 5.300 227 H ARG 33 HN ARG 33 8.983 7.209 5.812 228 HA ARG 33 HA ARG 33 6.578 7.695 7.445 229 HB2 ARG 33 2HB ARG 33 9.451 8.426 7.891 230 HB3 ARG 33 3HB ARG 33 8.176 9.418 8.586 231 HG2 ARG 33 2HG ARG 33 7.408 7.682 9.951 232 HG3 ARG 33 3HG ARG 33 8.274 6.455 9.024 233 HD2 ARG 33 2HD ARG 33 9.708 8.640 10.503 234 HD3 ARG 33 3HD ARG 33 9.243 7.133 11.290 235 HE ARG 33 HE ARG 33 10.616 6.487 8.951 236 HH11 ARG 33 1HH1 ARG 33 11.223 8.019 12.018 237 HH12 ARG 33 2HH1 ARG 33 12.892 7.558 12.066 238 HH21 ARG 33 1HH2 ARG 33 12.813 5.874 9.003 239 HH22 ARG 33 2HH2 ARG 33 13.796 6.338 10.351 240 H HIS 34 HN HIS 34 6.804 8.206 4.630 241 HA HIS 34 HA HIS 34 7.025 11.123 4.478 242 HB2 HIS 34 2HB HIS 34 6.925 8.952 2.391 243 HB3 HIS 34 3HB HIS 34 6.706 10.648 1.973 244 HD2 HIS 34 2HD HIS 34 9.332 10.587 4.630 245 HE1 HIS 34 1HE HIS 34 11.437 10.198 0.968 246 HE2 HIS 34 2HE HIS 34 11.633 10.577 3.450 247 H ARG 35 HN ARG 35 4.723 8.508 4.254 248 HA ARG 35 HA ARG 35 2.438 8.584 4.506 249 HB2 ARG 35 2HB ARG 35 3.141 11.111 5.342 250 HB3 ARG 35 3HB ARG 35 2.055 11.442 4.000 251 HG2 ARG 35 2HG ARG 35 1.287 9.510 6.151 252 HG3 ARG 35 3HG ARG 35 1.077 11.249 6.367 253 HD2 ARG 35 2HD ARG 35 -0.091 11.099 4.034 254 HD3 ARG 35 3HD ARG 35 -0.268 9.395 4.452 255 HE ARG 35 HE ARG 35 -1.698 11.612 5.580 256 HH11 ARG 35 1HH1 ARG 35 -0.566 8.369 6.144 257 HH12 ARG 35 2HH1 ARG 35 -1.778 8.012 7.328 258 HH21 ARG 35 1HH2 ARG 35 -3.299 11.154 7.138 259 HH22 ARG 35 2HH2 ARG 35 -3.333 9.597 7.893 260 H ASN 36 HN ASN 36 4.230 9.919 1.947 261 HA ASN 36 HA ASN 36 2.300 10.597 0.072 262 HB2 ASN 36 2HB ASN 36 5.130 9.870 0.037 263 HB3 ASN 36 3HB ASN 36 4.286 9.389 -1.433 264 HD21 ASN 36 1HD2 ASN 36 5.924 11.835 0.052 265 HD22 ASN 36 2HD2 ASN 36 5.382 13.163 -0.910 266 H CYS 37 HN CYS 37 1.639 9.377 -1.866 267 HA CYS 37 HA CYS 37 1.345 6.494 -1.351 268 HB2 CYS 37 2HB CYS 37 -0.794 7.218 -0.794 269 HB3 CYS 37 3HB CYS 37 -0.772 8.519 -1.979 270 HA PRO 38 HA PRO 38 2.821 6.019 -5.472 271 HB2 PRO 38 2HB PRO 38 1.886 3.519 -5.970 272 HB3 PRO 38 3HB PRO 38 3.258 3.837 -4.900 273 HG2 PRO 38 2HG PRO 38 0.394 3.309 -4.203 274 HG3 PRO 38 3HG PRO 38 1.866 2.677 -3.442 275 HD2 PRO 38 2HD PRO 38 0.447 4.729 -2.389 276 HD3 PRO 38 3HD PRO 38 2.209 4.600 -2.218 277 H ILE 39 HN ILE 39 -0.498 4.787 -4.991 278 HA ILE 39 HA ILE 39 -1.299 5.114 -7.673 279 HB ILE 39 HB ILE 39 -3.096 5.151 -5.248 280 HG12 ILE 39 2HG1 ILE 39 -1.422 3.197 -5.470 281 HG13 ILE 39 3HG1 ILE 39 -3.124 2.806 -5.244 282 HG21 ILE 39 1HG2 ILE 39 -3.543 4.637 -8.170 283 HG22 ILE 39 2HG2 ILE 39 -4.660 4.044 -6.941 284 HG23 ILE 39 3HG2 ILE 39 -4.371 5.776 -7.108 285 HD11 ILE 39 1HD1 ILE 39 -3.362 2.011 -7.373 286 HD12 ILE 39 2HD1 ILE 39 -2.047 3.001 -8.010 287 HD13 ILE 39 3HD1 ILE 39 -1.687 1.573 -7.040 288 H CYS 40 HN CYS 40 -0.576 7.424 -5.385 289 HA CYS 40 HA CYS 40 -2.523 9.382 -6.317 290 HB2 CYS 40 2HB CYS 40 -0.530 9.263 -4.095 291 HB3 CYS 40 3HB CYS 40 -1.047 10.842 -4.676 292 H ARG 41 HN ARG 41 0.058 8.181 -7.704 293 HA ARG 41 HA ARG 41 1.269 10.736 -8.486 294 HB2 ARG 41 2HB ARG 41 2.245 7.997 -8.217 295 HB3 ARG 41 3HB ARG 41 2.706 8.738 -9.745 296 HG2 ARG 41 2HG ARG 41 3.822 10.522 -8.637 297 HG3 ARG 41 3HG ARG 41 3.173 10.029 -7.071 298 HD2 ARG 41 2HD ARG 41 4.450 7.761 -8.015 299 HD3 ARG 41 3HD ARG 41 5.514 9.079 -8.498 300 HE ARG 41 HE ARG 41 4.878 9.571 -5.870 301 HH11 ARG 41 1HH1 ARG 41 6.378 6.987 -7.657 302 HH12 ARG 41 2HH1 ARG 41 7.386 6.485 -6.339 303 HH21 ARG 41 1HH2 ARG 41 6.199 8.920 -4.128 304 HH22 ARG 41 2HH2 ARG 41 7.281 7.585 -4.332 305 H LEU 42 HN LEU 42 -1.295 9.127 -9.415 306 HA LEU 42 HA LEU 42 -1.206 10.116 -12.103 307 HB2 LEU 42 2HB LEU 42 -1.233 8.160 -13.322 308 HB3 LEU 42 3HB LEU 42 -0.032 7.817 -12.080 309 HG LEU 42 HG LEU 42 -2.148 6.773 -10.859 310 HD11 LEU 42 1HD1 LEU 42 -3.160 7.391 -13.427 311 HD12 LEU 42 2HD1 LEU 42 -3.956 6.525 -12.113 312 HD13 LEU 42 3HD1 LEU 42 -3.021 5.636 -13.314 313 HD21 LEU 42 1HD2 LEU 42 0.074 5.758 -11.751 314 HD22 LEU 42 2HD2 LEU 42 -0.940 5.161 -13.066 315 HD23 LEU 42 3HD2 LEU 42 -1.293 4.699 -11.400 Start of MODEL 16 1 H1 GLU 1 HN GLU 1 -14.858 -4.635 5.576 2 HA GLU 1 HA GLU 1 -12.618 -6.335 5.124 3 HB2 GLU 1 2HB GLU 1 -15.174 -6.535 3.567 4 HB3 GLU 1 3HB GLU 1 -14.118 -7.823 4.131 5 HG2 GLU 1 2HG GLU 1 -14.963 -6.594 6.457 6 HG3 GLU 1 3HG GLU 1 -16.391 -6.588 5.424 7 H GLU 2 HN GLU 2 -11.318 -4.534 4.128 8 HA GLU 2 HA GLU 2 -11.887 -4.280 1.251 9 HB2 GLU 2 2HB GLU 2 -11.525 -2.249 2.957 10 HB3 GLU 2 3HB GLU 2 -9.842 -2.556 2.548 11 HG2 GLU 2 2HG GLU 2 -10.075 -1.435 0.663 12 HG3 GLU 2 3HG GLU 2 -11.351 -2.534 0.143 13 H GLU 3 HN GLU 3 -9.687 -3.839 0.023 14 HA GLU 3 HA GLU 3 -7.667 -5.763 0.942 15 HB2 GLU 3 2HB GLU 3 -8.500 -5.606 -1.945 16 HB3 GLU 3 3HB GLU 3 -7.541 -6.848 -1.151 17 HG2 GLU 3 2HG GLU 3 -9.760 -7.165 0.245 18 HG3 GLU 3 3HG GLU 3 -10.480 -6.457 -1.200 19 H CYS 4 HN CYS 4 -5.555 -5.456 0.027 20 HA CYS 4 HA CYS 4 -4.668 -2.834 0.003 21 HB2 CYS 4 2HB CYS 4 -3.245 -4.863 0.335 22 HB3 CYS 4 3HB CYS 4 -3.331 -5.156 -1.399 23 H CYS 5 HN CYS 5 -3.560 -1.690 -1.806 24 HA CYS 5 HA CYS 5 -5.163 -1.915 -4.265 25 HB2 CYS 5 2HB CYS 5 -3.829 0.495 -3.020 26 HB3 CYS 5 3HB CYS 5 -4.594 0.501 -4.604 27 HG CYS 5 HG CYS 5 -7.037 0.792 -3.812 28 H ILE 6 HN ILE 6 -2.672 -3.357 -3.594 29 HA ILE 6 HA ILE 6 -1.240 -2.721 -6.039 30 HB ILE 6 HB ILE 6 0.131 -2.700 -3.348 31 HG12 ILE 6 2HG1 ILE 6 -0.007 -0.593 -5.515 32 HG13 ILE 6 3HG1 ILE 6 -0.978 -0.585 -4.047 33 HG21 ILE 6 1HG2 ILE 6 2.219 -2.585 -4.472 34 HG22 ILE 6 2HG2 ILE 6 1.350 -3.961 -5.148 35 HG23 ILE 6 3HG2 ILE 6 1.439 -2.446 -6.047 36 HD11 ILE 6 1HD1 ILE 6 1.073 0.886 -4.067 37 HD12 ILE 6 2HD1 ILE 6 0.900 -0.203 -2.690 38 HD13 ILE 6 3HD1 ILE 6 2.020 -0.600 -3.993 39 H CYS 7 HN CYS 7 -0.605 -4.631 -3.092 40 HA CYS 7 HA CYS 7 0.436 -6.855 -4.435 41 HB2 CYS 7 2HB CYS 7 -0.998 -7.058 -1.796 42 HB3 CYS 7 3HB CYS 7 0.402 -7.966 -2.356 43 H MET 8 HN MET 8 -2.857 -6.077 -3.438 44 HA MET 8 HA MET 8 -4.871 -6.922 -4.073 45 HB2 MET 8 2HB MET 8 -3.398 -8.535 -6.154 46 HB3 MET 8 3HB MET 8 -5.082 -8.028 -6.180 47 HG2 MET 8 2HG MET 8 -3.353 -5.745 -5.960 48 HG3 MET 8 3HG MET 8 -2.891 -6.743 -7.337 49 HE1 MET 8 1HE MET 8 -4.048 -3.709 -8.063 50 HE2 MET 8 2HE MET 8 -3.257 -5.021 -8.938 51 HE3 MET 8 3HE MET 8 -4.805 -4.393 -9.502 52 H ASP 9 HN ASP 9 -2.647 -8.507 -2.483 53 HA ASP 9 HA ASP 9 -4.402 -10.727 -1.871 54 HB2 ASP 9 2HB ASP 9 -2.667 -11.317 -3.784 55 HB3 ASP 9 3HB ASP 9 -1.570 -11.500 -2.419 56 H GLY 10 HN GLY 10 -4.083 -8.792 -0.164 57 HA2 GLY 10 1HA GLY 10 -2.737 -10.013 2.046 58 HA3 GLY 10 2HA GLY 10 -1.885 -8.587 1.473 59 H ARG 11 HN ARG 11 -5.320 -8.673 1.147 60 HA ARG 11 HA ARG 11 -6.957 -7.358 2.029 61 HB2 ARG 11 2HB ARG 11 -5.404 -7.933 4.559 62 HB3 ARG 11 3HB ARG 11 -7.018 -7.235 4.514 63 HG2 ARG 11 2HG ARG 11 -6.138 -10.015 4.061 64 HG3 ARG 11 3HG ARG 11 -7.602 -9.394 4.827 65 HD2 ARG 11 2HD ARG 11 -8.383 -8.715 2.535 66 HD3 ARG 11 3HD ARG 11 -7.011 -9.609 1.882 67 HE ARG 11 HE ARG 11 -8.186 -11.532 2.215 68 HH11 ARG 11 1HH1 ARG 11 -9.502 -9.058 4.283 69 HH12 ARG 11 2HH1 ARG 11 -10.802 -10.047 4.857 70 HH21 ARG 11 1HH2 ARG 11 -9.895 -12.844 2.964 71 HH22 ARG 11 2HH2 ARG 11 -11.025 -12.201 4.106 72 H ALA 12 HN ALA 12 -7.143 -5.437 3.892 73 HA ALA 12 HA ALA 12 -5.015 -3.505 3.246 74 HB1 ALA 12 1HB ALA 12 -6.979 -3.073 1.841 75 HB2 ALA 12 2HB ALA 12 -7.972 -2.911 3.290 76 HB3 ALA 12 3HB ALA 12 -6.678 -1.755 2.974 77 H ASP 13 HN ASP 13 -4.004 -3.248 5.144 78 HA ASP 13 HA ASP 13 -5.469 -3.254 7.641 79 HB2 ASP 13 2HB ASP 13 -3.481 -4.211 8.150 80 HB3 ASP 13 3HB ASP 13 -2.647 -3.418 6.816 81 H LEU 14 HN LEU 14 -4.214 -0.951 5.398 82 HA LEU 14 HA LEU 14 -4.969 1.219 7.241 83 HB2 LEU 14 2HB LEU 14 -2.490 0.764 5.805 84 HB3 LEU 14 3HB LEU 14 -3.196 2.334 5.428 85 HG LEU 14 HG LEU 14 -2.914 3.126 7.581 86 HD11 LEU 14 1HD1 LEU 14 -2.200 1.327 9.398 87 HD12 LEU 14 2HD1 LEU 14 -3.141 0.271 8.345 88 HD13 LEU 14 3HD1 LEU 14 -3.890 1.701 9.055 89 HD21 LEU 14 1HD2 LEU 14 -0.635 2.697 8.198 90 HD22 LEU 14 2HD2 LEU 14 -0.750 2.696 6.438 91 HD23 LEU 14 3HD2 LEU 14 -0.636 1.170 7.315 92 H ILE 15 HN ILE 15 -5.488 3.282 6.052 93 HA ILE 15 HA ILE 15 -6.447 2.955 3.334 94 HB ILE 15 HB ILE 15 -8.370 3.640 5.560 95 HG12 ILE 15 2HG1 ILE 15 -8.287 1.230 3.732 96 HG13 ILE 15 3HG1 ILE 15 -7.810 1.230 5.426 97 HG21 ILE 15 1HG2 ILE 15 -9.339 4.816 3.906 98 HG22 ILE 15 2HG2 ILE 15 -8.452 3.965 2.641 99 HG23 ILE 15 3HG2 ILE 15 -9.888 3.232 3.358 100 HD11 ILE 15 1HD1 ILE 15 -10.336 2.267 5.530 101 HD12 ILE 15 2HD1 ILE 15 -10.454 1.085 4.225 102 HD13 ILE 15 3HD1 ILE 15 -9.899 0.584 5.822 103 H LEU 16 HN LEU 16 -5.294 4.642 2.563 104 HA LEU 16 HA LEU 16 -4.701 7.026 3.855 105 HB2 LEU 16 2HB LEU 16 -4.982 6.356 0.940 106 HB3 LEU 16 3HB LEU 16 -4.467 7.946 1.495 107 HG LEU 16 HG LEU 16 -3.024 5.322 1.765 108 HD11 LEU 16 1HD1 LEU 16 -1.468 6.200 0.340 109 HD12 LEU 16 2HD1 LEU 16 -1.834 7.866 0.785 110 HD13 LEU 16 3HD1 LEU 16 -2.927 6.977 -0.275 111 HD21 LEU 16 1HD2 LEU 16 -2.657 6.213 3.880 112 HD22 LEU 16 2HD2 LEU 16 -2.662 7.875 3.290 113 HD23 LEU 16 3HD2 LEU 16 -1.289 6.821 2.949 114 HA PRO 17 HA PRO 17 -8.358 9.453 3.860 115 HB2 PRO 17 2HB PRO 17 -7.352 11.944 3.469 116 HB3 PRO 17 3HB PRO 17 -7.156 11.056 4.985 117 HG2 PRO 17 2HG PRO 17 -5.228 11.386 2.720 118 HG3 PRO 17 3HG PRO 17 -4.927 11.468 4.465 119 HD2 PRO 17 2HD PRO 17 -4.357 9.269 2.992 120 HD3 PRO 17 3HD PRO 17 -4.864 9.175 4.690 121 H CYS 18 HN CYS 18 -6.653 8.869 1.088 122 HA CYS 18 HA CYS 18 -8.424 10.541 -0.566 123 HB2 CYS 18 2HB CYS 18 -6.789 10.250 -2.367 124 HB3 CYS 18 3HB CYS 18 -6.025 10.929 -0.933 125 H ALA 19 HN ALA 19 -8.509 7.635 0.708 126 HA ALA 19 HA ALA 19 -9.830 5.825 0.210 127 HB1 ALA 19 1HB ALA 19 -10.747 7.654 -1.594 128 HB2 ALA 19 2HB ALA 19 -10.190 6.352 -2.647 129 HB3 ALA 19 3HB ALA 19 -11.384 6.021 -1.392 130 H HIS 20 HN HIS 20 -7.135 5.575 0.244 131 HA HIS 20 HA HIS 20 -6.695 3.524 -1.798 132 HB2 HIS 20 2HB HIS 20 -5.006 5.941 -1.314 133 HB3 HIS 20 3HB HIS 20 -4.212 4.432 -1.752 134 HD2 HIS 20 2HD HIS 20 -6.151 3.394 -4.119 135 HE1 HIS 20 1HE HIS 20 -5.543 7.230 -5.828 136 HE2 HIS 20 2HE HIS 20 -6.371 4.884 -6.222 137 H SER 21 HN SER 21 -6.427 1.710 -0.688 138 HA SER 21 HA SER 21 -5.353 1.757 2.004 139 HB2 SER 21 2HB SER 21 -5.705 -0.891 1.417 140 HB3 SER 21 3HB SER 21 -6.952 0.156 2.093 141 HG SER 21 HG SER 21 -7.864 -0.734 0.318 142 H PHE 22 HN PHE 22 -3.706 0.097 2.627 143 HA PHE 22 HA PHE 22 -1.881 -0.835 0.624 144 HB2 PHE 22 2HB PHE 22 -0.992 1.402 2.457 145 HB3 PHE 22 3HB PHE 22 0.063 0.479 1.392 146 HD1 PHE 22 1HD PHE 22 -2.458 3.096 1.599 147 HD2 PHE 22 2HD PHE 22 -0.024 0.788 -1.020 148 HE1 PHE 22 1HE PHE 22 -2.909 4.692 -0.219 149 HE2 PHE 22 2HE PHE 22 -0.469 2.380 -2.843 150 HZ PHE 22 HZ PHE 22 -1.912 4.335 -2.443 151 H CYS 23 HN CYS 23 -2.177 -2.829 1.603 152 HA CYS 23 HA CYS 23 -2.164 -3.500 4.251 153 HB2 CYS 23 2HB CYS 23 -1.723 -5.702 3.606 154 HB3 CYS 23 3HB CYS 23 -2.415 -4.994 2.150 155 H GLN 24 HN GLN 24 -0.368 -4.772 5.400 156 HA GLN 24 HA GLN 24 1.771 -2.999 5.913 157 HB2 GLN 24 2HB GLN 24 1.126 -5.798 6.787 158 HB3 GLN 24 3HB GLN 24 2.664 -5.061 7.214 159 HG2 GLN 24 2HG GLN 24 0.153 -3.573 7.782 160 HG3 GLN 24 3HG GLN 24 0.604 -4.924 8.820 161 HE21 GLN 24 1HE2 GLN 24 1.538 -1.767 7.656 162 HE22 GLN 24 2HE2 GLN 24 2.673 -1.425 8.913 163 H LYS 25 HN LYS 25 1.664 -6.174 4.317 164 HA LYS 25 HA LYS 25 4.201 -6.771 3.765 165 HB2 LYS 25 2HB LYS 25 1.781 -7.443 2.622 166 HB3 LYS 25 3HB LYS 25 2.673 -6.761 1.269 167 HG2 LYS 25 2HG LYS 25 4.484 -8.332 1.640 168 HG3 LYS 25 3HG LYS 25 3.645 -8.992 3.044 169 HD2 LYS 25 2HD LYS 25 2.059 -10.058 1.763 170 HD3 LYS 25 3HD LYS 25 2.232 -8.928 0.418 171 HE2 LYS 25 2HE LYS 25 3.129 -11.131 -0.144 172 HE3 LYS 25 3HE LYS 25 4.396 -9.904 -0.136 173 HZ1 LYS 25 1HZ LYS 25 4.394 -12.289 1.236 174 HZ2 LYS 25 2HZ LYS 25 4.129 -11.111 2.421 175 HZ3 LYS 25 3HZ LYS 25 5.490 -11.013 1.422 176 H CYS 26 HN CYS 26 2.408 -4.638 1.533 177 HA CYS 26 HA CYS 26 4.733 -3.739 0.198 178 HB2 CYS 26 2HB CYS 26 3.189 -1.946 -0.693 179 HB3 CYS 26 3HB CYS 26 2.658 -3.602 -0.966 180 H ILE 27 HN ILE 27 2.713 -2.264 2.718 181 HA ILE 27 HA ILE 27 4.017 0.183 2.922 182 HB ILE 27 HB ILE 27 2.208 -1.375 4.605 183 HG12 ILE 27 2HG1 ILE 27 2.577 1.606 4.242 184 HG13 ILE 27 3HG1 ILE 27 1.594 0.585 3.198 185 HG21 ILE 27 1HG2 ILE 27 4.027 -1.188 6.205 186 HG22 ILE 27 2HG2 ILE 27 4.119 0.550 5.924 187 HG23 ILE 27 3HG2 ILE 27 2.684 -0.147 6.677 188 HD11 ILE 27 1HD1 ILE 27 -0.115 1.009 4.535 189 HD12 ILE 27 2HD1 ILE 27 0.700 0.072 5.789 190 HD13 ILE 27 3HD1 ILE 27 0.932 1.819 5.701 191 H ASP 28 HN ASP 28 5.108 -2.940 3.782 192 HA ASP 28 HA ASP 28 7.209 -1.858 5.519 193 HB2 ASP 28 2HB ASP 28 5.692 -4.256 5.567 194 HB3 ASP 28 3HB ASP 28 7.365 -4.706 5.245 195 H LYS 29 HN LYS 29 6.662 -3.422 2.449 196 HA LYS 29 HA LYS 29 9.452 -3.931 1.947 197 HB2 LYS 29 2HB LYS 29 7.974 -5.445 0.899 198 HB3 LYS 29 3HB LYS 29 6.952 -4.150 0.287 199 HG2 LYS 29 2HG LYS 29 8.320 -3.711 -1.480 200 HG3 LYS 29 3HG LYS 29 9.772 -4.251 -0.634 201 HD2 LYS 29 2HD LYS 29 8.341 -6.561 -0.778 202 HD3 LYS 29 3HD LYS 29 7.869 -5.765 -2.281 203 HE2 LYS 29 2HE LYS 29 10.669 -5.448 -1.973 204 HE3 LYS 29 3HE LYS 29 10.286 -7.142 -1.668 205 HZ1 LYS 29 1HZ LYS 29 10.261 -5.686 -4.131 206 HZ2 LYS 29 2HZ LYS 29 8.809 -6.513 -3.868 207 HZ3 LYS 29 3HZ LYS 29 10.275 -7.358 -3.867 208 H TRP 30 HN TRP 30 7.223 -2.152 -0.159 209 HA TRP 30 HA TRP 30 8.954 -0.628 -1.542 210 HB2 TRP 30 2HB TRP 30 6.234 0.080 -0.462 211 HB3 TRP 30 3HB TRP 30 7.135 1.205 -1.475 212 HD1 TRP 30 1HD TRP 30 6.232 -2.573 -1.768 213 HE1 TRP 30 1HE TRP 30 5.440 -3.003 -4.179 214 HE3 TRP 30 3HE TRP 30 6.733 2.157 -3.640 215 HZ2 TRP 30 2HZ TRP 30 5.078 -1.531 -6.561 216 HZ3 TRP 30 3HZ TRP 30 6.143 2.563 -5.995 217 HH2 TRP 30 2HH TRP 30 5.333 0.755 -7.423 218 H SER 31 HN SER 31 7.283 0.915 1.194 219 HA SER 31 HA SER 31 7.940 2.746 2.427 220 HB2 SER 31 2HB SER 31 10.347 0.983 2.919 221 HB3 SER 31 3HB SER 31 9.662 2.186 4.013 222 HG SER 31 HG SER 31 8.334 -0.161 3.123 223 H ASP 32 HN ASP 32 8.277 4.045 0.457 224 HA ASP 32 HA ASP 32 11.084 4.501 -0.235 225 HB2 ASP 32 2HB ASP 32 8.769 5.913 -1.526 226 HB3 ASP 32 3HB ASP 32 10.346 5.519 -2.205 227 H ARG 33 HN ARG 33 11.507 5.471 1.874 228 HA ARG 33 HA ARG 33 12.093 7.364 3.022 229 HB2 ARG 33 2HB ARG 33 11.412 8.374 0.494 230 HB3 ARG 33 3HB ARG 33 10.522 9.361 1.647 231 HG2 ARG 33 2HG ARG 33 12.723 9.650 2.875 232 HG3 ARG 33 3HG ARG 33 13.489 8.958 1.443 233 HD2 ARG 33 2HD ARG 33 12.177 10.754 0.143 234 HD3 ARG 33 3HD ARG 33 11.967 11.527 1.714 235 HE ARG 33 HE ARG 33 14.361 11.434 0.141 236 HH11 ARG 33 1HH1 ARG 33 13.093 11.691 3.374 237 HH12 ARG 33 2HH1 ARG 33 14.488 12.507 3.997 238 HH21 ARG 33 1HH2 ARG 33 16.203 12.509 0.949 239 HH22 ARG 33 2HH2 ARG 33 16.257 12.972 2.616 240 H HIS 34 HN HIS 34 8.768 7.840 1.812 241 HA HIS 34 HA HIS 34 7.832 7.808 4.595 242 HB2 HIS 34 2HB HIS 34 7.431 9.953 2.548 243 HB3 HIS 34 3HB HIS 34 6.151 9.635 3.715 244 HD2 HIS 34 2HD HIS 34 8.249 9.175 6.302 245 HE1 HIS 34 1HE HIS 34 9.265 13.209 5.474 246 HE2 HIS 34 2HE HIS 34 9.423 11.323 7.136 247 H ARG 35 HN ARG 35 5.247 7.947 4.452 248 HA ARG 35 HA ARG 35 4.496 5.663 2.794 249 HB2 ARG 35 2HB ARG 35 2.306 6.080 4.284 250 HB3 ARG 35 3HB ARG 35 3.681 5.143 4.850 251 HG2 ARG 35 2HG ARG 35 2.879 6.735 6.529 252 HG3 ARG 35 3HG ARG 35 4.543 7.061 6.042 253 HD2 ARG 35 2HD ARG 35 4.005 9.113 5.378 254 HD3 ARG 35 3HD ARG 35 2.714 8.491 4.351 255 HE ARG 35 HE ARG 35 1.270 9.329 5.890 256 HH11 ARG 35 1HH1 ARG 35 4.198 8.418 7.538 257 HH12 ARG 35 2HH1 ARG 35 3.626 8.906 9.098 258 HH21 ARG 35 1HH2 ARG 35 0.505 9.974 7.939 259 HH22 ARG 35 2HH2 ARG 35 1.525 9.789 9.327 260 H ASN 36 HN ASN 36 4.836 7.848 1.244 261 HA ASN 36 HA ASN 36 2.546 9.470 0.910 262 HB2 ASN 36 2HB ASN 36 4.953 8.832 -0.746 263 HB3 ASN 36 3HB ASN 36 3.596 9.658 -1.508 264 HD21 ASN 36 1HD2 ASN 36 6.468 10.224 -0.245 265 HD22 ASN 36 2HD2 ASN 36 6.229 11.793 0.440 266 H CYS 37 HN CYS 37 1.542 9.448 -1.477 267 HA CYS 37 HA CYS 37 0.401 6.755 -1.808 268 HB2 CYS 37 2HB CYS 37 -1.092 8.737 -1.157 269 HB3 CYS 37 3HB CYS 37 -0.840 9.315 -2.801 270 HA PRO 38 HA PRO 38 2.912 7.391 -5.617 271 HB2 PRO 38 2HB PRO 38 3.639 4.784 -5.828 272 HB3 PRO 38 3HB PRO 38 4.511 5.945 -4.821 273 HG2 PRO 38 2HG PRO 38 2.465 3.912 -4.024 274 HG3 PRO 38 3HG PRO 38 3.989 4.339 -3.224 275 HD2 PRO 38 2HD PRO 38 1.588 5.261 -2.375 276 HD3 PRO 38 3HD PRO 38 3.083 6.207 -2.220 277 H ILE 39 HN ILE 39 0.002 6.060 -4.849 278 HA ILE 39 HA ILE 39 -0.419 4.709 -7.402 279 HB ILE 39 HB ILE 39 -2.334 5.066 -5.094 280 HG12 ILE 39 2HG1 ILE 39 -0.168 3.663 -4.780 281 HG13 ILE 39 3HG1 ILE 39 -1.710 2.964 -4.299 282 HG21 ILE 39 1HG2 ILE 39 -3.619 4.692 -7.027 283 HG22 ILE 39 2HG2 ILE 39 -2.478 3.506 -7.656 284 HG23 ILE 39 3HG2 ILE 39 -3.478 3.113 -6.257 285 HD11 ILE 39 1HD1 ILE 39 -0.247 1.393 -5.509 286 HD12 ILE 39 2HD1 ILE 39 -1.797 1.656 -6.309 287 HD13 ILE 39 3HD1 ILE 39 -0.342 2.440 -6.925 288 H CYS 40 HN CYS 40 -1.124 7.692 -5.788 289 HA CYS 40 HA CYS 40 -3.208 8.471 -7.631 290 HB2 CYS 40 2HB CYS 40 -1.853 9.740 -5.284 291 HB3 CYS 40 3HB CYS 40 -2.740 10.760 -6.411 292 H ARG 41 HN ARG 41 0.231 8.887 -7.290 293 HA ARG 41 HA ARG 41 0.728 11.117 -8.828 294 HB2 ARG 41 2HB ARG 41 2.319 8.548 -8.756 295 HB3 ARG 41 3HB ARG 41 2.911 10.091 -9.355 296 HG2 ARG 41 2HG ARG 41 2.518 11.042 -7.085 297 HG3 ARG 41 3HG ARG 41 2.137 9.410 -6.531 298 HD2 ARG 41 2HD ARG 41 4.323 8.649 -6.928 299 HD3 ARG 41 3HD ARG 41 4.717 10.048 -7.927 300 HE ARG 41 HE ARG 41 4.087 10.644 -5.169 301 HH11 ARG 41 1HH1 ARG 41 6.571 9.913 -7.497 302 HH12 ARG 41 2HH1 ARG 41 7.844 10.616 -6.553 303 HH21 ARG 41 1HH2 ARG 41 5.755 11.571 -3.918 304 HH22 ARG 41 2HH2 ARG 41 7.379 11.557 -4.517 305 H LEU 42 HN LEU 42 -0.653 8.163 -9.807 306 HA LEU 42 HA LEU 42 0.160 7.923 -12.455 307 HB2 LEU 42 2HB LEU 42 -2.364 7.215 -11.011 308 HB3 LEU 42 3HB LEU 42 -2.232 6.969 -12.751 309 HG LEU 42 HG LEU 42 -0.349 5.745 -10.742 310 HD11 LEU 42 1HD1 LEU 42 -1.588 3.715 -10.916 311 HD12 LEU 42 2HD1 LEU 42 -2.671 4.413 -12.120 312 HD13 LEU 42 3HD1 LEU 42 -2.712 4.993 -10.455 313 HD21 LEU 42 1HD2 LEU 42 -0.216 4.163 -12.870 314 HD22 LEU 42 2HD2 LEU 42 0.799 5.595 -12.699 315 HD23 LEU 42 3HD2 LEU 42 -0.658 5.660 -13.690 Start of MODEL 17 1 H1 GLU 1 HN GLU 1 -15.076 -7.029 4.573 2 HA GLU 1 HA GLU 1 -12.961 -5.707 5.029 3 HB2 GLU 1 2HB GLU 1 -11.536 -7.584 5.019 4 HB3 GLU 1 3HB GLU 1 -13.152 -8.239 5.245 5 HG2 GLU 1 2HG GLU 1 -13.187 -8.616 2.736 6 HG3 GLU 1 3HG GLU 1 -11.456 -8.284 2.773 7 H GLU 2 HN GLU 2 -11.684 -4.279 4.072 8 HA GLU 2 HA GLU 2 -11.615 -4.029 1.217 9 HB2 GLU 2 2HB GLU 2 -10.046 -2.136 1.696 10 HB3 GLU 2 3HB GLU 2 -11.602 -2.012 2.506 11 HG2 GLU 2 2HG GLU 2 -9.918 -3.381 4.276 12 HG3 GLU 2 3HG GLU 2 -8.967 -2.048 3.625 13 H GLU 3 HN GLU 3 -9.703 -4.039 -0.094 14 HA GLU 3 HA GLU 3 -7.525 -5.708 0.976 15 HB2 GLU 3 2HB GLU 3 -8.612 -5.899 -1.836 16 HB3 GLU 3 3HB GLU 3 -7.401 -6.933 -1.090 17 HG2 GLU 3 2HG GLU 3 -8.930 -8.197 -0.042 18 HG3 GLU 3 3HG GLU 3 -9.986 -6.828 0.301 19 H CYS 4 HN CYS 4 -5.494 -5.528 -0.259 20 HA CYS 4 HA CYS 4 -4.758 -2.826 -0.616 21 HB2 CYS 4 2HB CYS 4 -3.252 -4.752 0.072 22 HB3 CYS 4 3HB CYS 4 -3.216 -5.215 -1.625 23 H CYS 5 HN CYS 5 -3.928 -1.809 -2.538 24 HA CYS 5 HA CYS 5 -5.497 -2.531 -4.893 25 HB2 CYS 5 2HB CYS 5 -5.737 -0.243 -4.307 26 HB3 CYS 5 3HB CYS 5 -4.003 -0.038 -4.090 27 HG CYS 5 HG CYS 5 -5.615 -0.465 -7.078 28 H ILE 6 HN ILE 6 -2.295 -2.686 -3.708 29 HA ILE 6 HA ILE 6 -1.222 -3.102 -6.414 30 HB ILE 6 HB ILE 6 0.289 -2.675 -3.834 31 HG12 ILE 6 2HG1 ILE 6 0.295 -0.711 -6.079 32 HG13 ILE 6 3HG1 ILE 6 -1.115 -0.758 -5.026 33 HG21 ILE 6 1HG2 ILE 6 1.556 -4.006 -5.405 34 HG22 ILE 6 2HG2 ILE 6 1.234 -2.845 -6.692 35 HG23 ILE 6 3HG2 ILE 6 2.238 -2.382 -5.318 36 HD11 ILE 6 1HD1 ILE 6 0.103 -0.092 -3.167 37 HD12 ILE 6 2HD1 ILE 6 1.645 -0.542 -3.897 38 HD13 ILE 6 3HD1 ILE 6 0.776 0.878 -4.477 39 H CYS 7 HN CYS 7 -1.711 -4.611 -3.298 40 HA CYS 7 HA CYS 7 -0.742 -7.149 -4.437 41 HB2 CYS 7 2HB CYS 7 -0.698 -6.924 -1.501 42 HB3 CYS 7 3HB CYS 7 0.487 -7.629 -2.597 43 H MET 8 HN MET 8 -3.300 -6.564 -4.887 44 HA MET 8 HA MET 8 -5.237 -7.053 -3.001 45 HB2 MET 8 2HB MET 8 -5.166 -6.801 -5.763 46 HB3 MET 8 3HB MET 8 -5.834 -8.408 -5.509 47 HG2 MET 8 2HG MET 8 -7.615 -7.529 -4.181 48 HG3 MET 8 3HG MET 8 -6.893 -5.922 -4.192 49 HE1 MET 8 1HE MET 8 -9.045 -8.418 -5.546 50 HE2 MET 8 2HE MET 8 -9.850 -7.699 -6.940 51 HE3 MET 8 3HE MET 8 -8.346 -8.596 -7.155 52 H ASP 9 HN ASP 9 -4.603 -8.594 -1.493 53 HA ASP 9 HA ASP 9 -5.489 -11.192 -1.837 54 HB2 ASP 9 2HB ASP 9 -3.734 -11.691 -3.346 55 HB3 ASP 9 3HB ASP 9 -2.541 -10.855 -2.358 56 H GLY 10 HN GLY 10 -2.864 -9.352 -0.299 57 HA2 GLY 10 1HA GLY 10 -3.129 -10.836 2.171 58 HA3 GLY 10 2HA GLY 10 -2.047 -9.484 1.874 59 H ARG 11 HN ARG 11 -5.290 -8.935 0.978 60 HA ARG 11 HA ARG 11 -6.879 -7.510 1.768 61 HB2 ARG 11 2HB ARG 11 -5.945 -8.855 4.290 62 HB3 ARG 11 3HB ARG 11 -7.199 -7.622 4.329 63 HG2 ARG 11 2HG ARG 11 -8.514 -9.456 4.154 64 HG3 ARG 11 3HG ARG 11 -8.239 -9.159 2.436 65 HD2 ARG 11 2HD ARG 11 -6.593 -10.848 2.308 66 HD3 ARG 11 3HD ARG 11 -6.473 -10.967 4.063 67 HE ARG 11 HE ARG 11 -9.054 -11.635 3.539 68 HH11 ARG 11 1HH1 ARG 11 -5.969 -12.770 2.394 69 HH12 ARG 11 2HH1 ARG 11 -6.520 -14.390 2.119 70 HH21 ARG 11 1HH2 ARG 11 -9.793 -13.763 3.179 71 HH22 ARG 11 2HH2 ARG 11 -8.696 -14.953 2.565 72 H ALA 12 HN ALA 12 -7.269 -5.518 3.030 73 HA ALA 12 HA ALA 12 -4.787 -3.974 3.233 74 HB1 ALA 12 1HB ALA 12 -6.949 -2.232 3.507 75 HB2 ALA 12 2HB ALA 12 -5.960 -2.490 2.069 76 HB3 ALA 12 3HB ALA 12 -7.449 -3.408 2.291 77 H ASP 13 HN ASP 13 -4.153 -2.946 5.072 78 HA ASP 13 HA ASP 13 -5.819 -3.359 7.468 79 HB2 ASP 13 2HB ASP 13 -3.492 -4.618 7.111 80 HB3 ASP 13 3HB ASP 13 -2.867 -3.100 7.752 81 H LEU 14 HN LEU 14 -4.760 -1.089 5.393 82 HA LEU 14 HA LEU 14 -5.107 1.029 7.351 83 HB2 LEU 14 2HB LEU 14 -2.537 0.280 6.329 84 HB3 LEU 14 3HB LEU 14 -2.952 1.895 5.758 85 HG LEU 14 HG LEU 14 -3.550 1.910 8.488 86 HD11 LEU 14 1HD1 LEU 14 -1.680 1.063 9.624 87 HD12 LEU 14 2HD1 LEU 14 -0.783 0.799 8.129 88 HD13 LEU 14 3HD1 LEU 14 -2.165 -0.224 8.520 89 HD21 LEU 14 1HD2 LEU 14 -1.504 3.087 6.686 90 HD22 LEU 14 2HD2 LEU 14 -1.255 3.235 8.426 91 HD23 LEU 14 3HD2 LEU 14 -2.724 3.876 7.686 92 H ILE 15 HN ILE 15 -6.047 2.829 6.509 93 HA ILE 15 HA ILE 15 -6.516 2.831 3.598 94 HB ILE 15 HB ILE 15 -8.343 3.994 5.701 95 HG12 ILE 15 2HG1 ILE 15 -9.747 1.942 4.636 96 HG13 ILE 15 3HG1 ILE 15 -8.121 1.272 4.551 97 HG21 ILE 15 1HG2 ILE 15 -9.885 3.653 3.542 98 HG22 ILE 15 2HG2 ILE 15 -8.978 5.133 3.851 99 HG23 ILE 15 3HG2 ILE 15 -8.333 3.920 2.747 100 HD11 ILE 15 1HD1 ILE 15 -9.625 2.174 6.986 101 HD12 ILE 15 2HD1 ILE 15 -9.041 0.556 6.595 102 HD13 ILE 15 3HD1 ILE 15 -7.895 1.835 6.994 103 H LEU 16 HN LEU 16 -5.204 4.313 2.736 104 HA LEU 16 HA LEU 16 -4.172 6.560 4.073 105 HB2 LEU 16 2HB LEU 16 -4.385 5.795 1.183 106 HB3 LEU 16 3HB LEU 16 -3.714 7.352 1.666 107 HG LEU 16 HG LEU 16 -2.615 4.604 2.210 108 HD11 LEU 16 1HD1 LEU 16 -0.848 5.211 0.859 109 HD12 LEU 16 2HD1 LEU 16 -1.138 6.937 1.071 110 HD13 LEU 16 3HD1 LEU 16 -2.208 5.982 0.044 111 HD21 LEU 16 1HD2 LEU 16 -2.298 5.671 4.272 112 HD22 LEU 16 2HD2 LEU 16 -1.960 7.228 3.515 113 HD23 LEU 16 3HD2 LEU 16 -0.783 5.919 3.403 114 HA PRO 17 HA PRO 17 -7.310 9.615 3.809 115 HB2 PRO 17 2HB PRO 17 -5.855 11.865 3.368 116 HB3 PRO 17 3HB PRO 17 -5.880 11.026 4.923 117 HG2 PRO 17 2HG PRO 17 -3.840 10.899 2.736 118 HG3 PRO 17 3HG PRO 17 -3.596 11.006 4.488 119 HD2 PRO 17 2HD PRO 17 -3.380 8.675 3.127 120 HD3 PRO 17 3HD PRO 17 -3.959 8.751 4.804 121 H CYS 18 HN CYS 18 -5.683 8.574 1.144 122 HA CYS 18 HA CYS 18 -6.967 10.508 -0.661 123 HB2 CYS 18 2HB CYS 18 -5.433 9.672 -2.388 124 HB3 CYS 18 3HB CYS 18 -4.551 10.253 -0.979 125 H ALA 19 HN ALA 19 -7.759 7.755 0.764 126 HA ALA 19 HA ALA 19 -9.450 6.267 0.344 127 HB1 ALA 19 1HB ALA 19 -9.665 7.104 -2.511 128 HB2 ALA 19 2HB ALA 19 -10.927 6.597 -1.388 129 HB3 ALA 19 3HB ALA 19 -10.210 8.202 -1.242 130 H HIS 20 HN HIS 20 -6.663 5.689 -0.002 131 HA HIS 20 HA HIS 20 -6.895 3.426 -1.861 132 HB2 HIS 20 2HB HIS 20 -4.561 5.328 -1.608 133 HB3 HIS 20 3HB HIS 20 -4.455 3.766 -2.416 134 HD2 HIS 20 2HD HIS 20 -7.439 4.179 -3.989 135 HE1 HIS 20 1HE HIS 20 -5.327 7.360 -5.838 136 HE2 HIS 20 2HE HIS 20 -7.379 5.901 -5.918 137 H SER 21 HN SER 21 -6.616 1.580 -0.817 138 HA SER 21 HA SER 21 -5.473 1.546 1.835 139 HB2 SER 21 2HB SER 21 -6.433 -0.545 2.078 140 HB3 SER 21 3HB SER 21 -7.496 0.159 0.859 141 HG SER 21 HG SER 21 -6.091 -0.882 -0.717 142 H PHE 22 HN PHE 22 -3.819 -0.037 2.459 143 HA PHE 22 HA PHE 22 -2.076 -1.108 0.446 144 HB2 PHE 22 2HB PHE 22 -1.132 1.218 2.134 145 HB3 PHE 22 3HB PHE 22 -0.079 0.194 1.164 146 HD1 PHE 22 1HD PHE 22 -2.667 2.783 1.084 147 HD2 PHE 22 2HD PHE 22 -0.009 0.395 -1.229 148 HE1 PHE 22 1HE PHE 22 -3.060 4.237 -0.862 149 HE2 PHE 22 2HE PHE 22 -0.397 1.845 -3.178 150 HZ PHE 22 HZ PHE 22 -1.923 3.769 -2.996 151 H CYS 23 HN CYS 23 -1.955 -3.071 1.352 152 HA CYS 23 HA CYS 23 -2.058 -3.687 4.060 153 HB2 CYS 23 2HB CYS 23 -1.225 -5.888 3.449 154 HB3 CYS 23 3HB CYS 23 -2.375 -5.331 2.236 155 H GLN 24 HN GLN 24 -0.366 -4.550 5.458 156 HA GLN 24 HA GLN 24 1.743 -2.778 5.838 157 HB2 GLN 24 2HB GLN 24 1.819 -5.633 6.787 158 HB3 GLN 24 3HB GLN 24 2.480 -4.203 7.571 159 HG2 GLN 24 2HG GLN 24 -0.409 -4.984 7.306 160 HG3 GLN 24 3HG GLN 24 0.551 -4.867 8.779 161 HE21 GLN 24 1HE2 GLN 24 -1.026 -3.067 6.236 162 HE22 GLN 24 2HE2 GLN 24 -1.089 -1.559 7.075 163 H LYS 25 HN LYS 25 1.616 -5.817 4.078 164 HA LYS 25 HA LYS 25 4.224 -6.473 3.703 165 HB2 LYS 25 2HB LYS 25 2.271 -6.382 1.405 166 HB3 LYS 25 3HB LYS 25 3.610 -7.498 1.637 167 HG2 LYS 25 2HG LYS 25 2.313 -8.196 3.778 168 HG3 LYS 25 3HG LYS 25 0.938 -7.448 2.964 169 HD2 LYS 25 2HD LYS 25 1.518 -8.894 0.962 170 HD3 LYS 25 3HD LYS 25 2.613 -9.770 2.034 171 HE2 LYS 25 2HE LYS 25 -0.082 -9.391 3.116 172 HE3 LYS 25 3HE LYS 25 -0.028 -10.359 1.643 173 HZ1 LYS 25 1HZ LYS 25 0.498 -12.044 2.973 174 HZ2 LYS 25 2HZ LYS 25 0.815 -11.034 4.292 175 HZ3 LYS 25 3HZ LYS 25 2.023 -11.332 3.147 176 H CYS 26 HN CYS 26 2.532 -4.491 1.270 177 HA CYS 26 HA CYS 26 4.914 -3.521 0.111 178 HB2 CYS 26 2HB CYS 26 3.377 -1.840 -0.982 179 HB3 CYS 26 3HB CYS 26 2.935 -3.527 -1.221 180 H ILE 27 HN ILE 27 2.585 -1.980 2.317 181 HA ILE 27 HA ILE 27 3.622 0.523 2.565 182 HB ILE 27 HB ILE 27 1.846 -1.042 4.060 183 HG12 ILE 27 2HG1 ILE 27 2.652 1.842 4.500 184 HG13 ILE 27 3HG1 ILE 27 1.554 1.287 3.240 185 HG21 ILE 27 1HG2 ILE 27 3.889 0.223 5.880 186 HG22 ILE 27 2HG2 ILE 27 2.411 -0.604 6.366 187 HG23 ILE 27 3HG2 ILE 27 3.718 -1.510 5.603 188 HD11 ILE 27 1HD1 ILE 27 1.113 1.611 6.139 189 HD12 ILE 27 2HD1 ILE 27 0.019 1.880 4.781 190 HD13 ILE 27 3HD1 ILE 27 0.323 0.241 5.360 191 H ASP 28 HN ASP 28 5.024 -2.446 3.702 192 HA ASP 28 HA ASP 28 6.941 -1.188 5.440 193 HB2 ASP 28 2HB ASP 28 5.967 -3.680 5.372 194 HB3 ASP 28 3HB ASP 28 7.415 -3.934 4.402 195 H LYS 29 HN LYS 29 6.940 -2.520 2.168 196 HA LYS 29 HA LYS 29 9.709 -2.257 1.691 197 HB2 LYS 29 2HB LYS 29 7.327 -2.918 0.161 198 HB3 LYS 29 3HB LYS 29 8.456 -1.953 -0.781 199 HG2 LYS 29 2HG LYS 29 10.183 -3.551 -0.518 200 HG3 LYS 29 3HG LYS 29 9.271 -4.431 0.711 201 HD2 LYS 29 2HD LYS 29 8.629 -5.757 -0.976 202 HD3 LYS 29 3HD LYS 29 7.544 -4.436 -1.416 203 HE2 LYS 29 2HE LYS 29 10.370 -4.544 -2.417 204 HE3 LYS 29 3HE LYS 29 9.073 -5.414 -3.235 205 HZ1 LYS 29 1HZ LYS 29 8.586 -2.607 -2.628 206 HZ2 LYS 29 2HZ LYS 29 8.149 -3.512 -3.988 207 HZ3 LYS 29 3HZ LYS 29 9.728 -2.928 -3.834 208 H TRP 30 HN TRP 30 7.121 -0.297 0.214 209 HA TRP 30 HA TRP 30 8.963 1.854 -0.299 210 HB2 TRP 30 2HB TRP 30 7.063 2.971 -1.339 211 HB3 TRP 30 3HB TRP 30 7.144 1.295 -1.875 212 HD1 TRP 30 1HD TRP 30 5.121 -0.277 -1.285 213 HE1 TRP 30 1HE TRP 30 2.795 0.143 -0.266 214 HE3 TRP 30 3HE TRP 30 5.836 4.486 0.427 215 HZ2 TRP 30 2HZ TRP 30 1.442 2.221 1.084 216 HZ3 TRP 30 3HZ TRP 30 3.975 5.620 1.572 217 HH2 TRP 30 2HH TRP 30 1.824 4.509 1.892 218 H SER 31 HN SER 31 9.117 3.800 0.722 219 HA SER 31 HA SER 31 7.238 4.799 2.584 220 HB2 SER 31 2HB SER 31 9.578 3.255 3.673 221 HB3 SER 31 3HB SER 31 8.877 4.590 4.587 222 HG SER 31 HG SER 31 7.259 3.355 5.089 223 H ASP 32 HN ASP 32 8.039 6.753 3.702 224 HA ASP 32 HA ASP 32 10.557 7.886 3.031 225 HB2 ASP 32 2HB ASP 32 8.592 8.116 1.031 226 HB3 ASP 32 3HB ASP 32 8.670 9.694 1.808 227 H ARG 33 HN ARG 33 10.137 10.530 3.277 228 HA ARG 33 HA ARG 33 9.463 10.793 6.038 229 HB2 ARG 33 2HB ARG 33 10.875 12.307 4.087 230 HB3 ARG 33 3HB ARG 33 9.634 13.347 4.773 231 HG2 ARG 33 2HG ARG 33 11.169 13.761 6.344 232 HG3 ARG 33 3HG ARG 33 10.655 12.210 7.012 233 HD2 ARG 33 2HD ARG 33 12.480 11.076 6.078 234 HD3 ARG 33 3HD ARG 33 12.830 12.389 4.953 235 HE ARG 33 HE ARG 33 13.122 13.370 7.552 236 HH11 ARG 33 1HH1 ARG 33 14.625 11.073 5.410 237 HH12 ARG 33 2HH1 ARG 33 16.198 11.245 6.118 238 HH21 ARG 33 1HH2 ARG 33 15.188 13.605 8.492 239 HH22 ARG 33 2HH2 ARG 33 16.516 12.685 7.871 240 H HIS 34 HN HIS 34 7.609 10.776 3.250 241 HA HIS 34 HA HIS 34 5.381 12.055 4.676 242 HB2 HIS 34 2HB HIS 34 6.506 12.775 2.037 243 HB3 HIS 34 3HB HIS 34 4.751 12.670 2.115 244 HD2 HIS 34 2HD HIS 34 5.467 13.943 5.454 245 HE1 HIS 34 1HE HIS 34 5.572 17.422 3.030 246 HE2 HIS 34 2HE HIS 34 5.525 16.528 5.383 247 H ARG 35 HN ARG 35 3.314 11.641 3.086 248 HA ARG 35 HA ARG 35 3.284 8.723 2.697 249 HB2 ARG 35 2HB ARG 35 1.313 10.653 3.791 250 HB3 ARG 35 3HB ARG 35 0.669 9.330 2.827 251 HG2 ARG 35 2HG ARG 35 0.839 7.960 4.552 252 HG3 ARG 35 3HG ARG 35 2.573 8.273 4.659 253 HD2 ARG 35 2HD ARG 35 2.280 10.016 6.189 254 HD3 ARG 35 3HD ARG 35 0.571 10.192 5.797 255 HE ARG 35 HE ARG 35 0.090 8.548 7.314 256 HH11 ARG 35 1HH1 ARG 35 3.495 8.476 6.593 257 HH12 ARG 35 2HH1 ARG 35 3.866 7.319 7.828 258 HH21 ARG 35 1HH2 ARG 35 0.565 7.024 8.944 259 HH22 ARG 35 2HH2 ARG 35 2.198 6.493 9.164 260 H ASN 36 HN ASN 36 4.316 10.046 0.607 261 HA ASN 36 HA ASN 36 2.401 10.933 -1.298 262 HB2 ASN 36 2HB ASN 36 5.220 9.934 -1.760 263 HB3 ASN 36 3HB ASN 36 4.253 10.869 -2.897 264 HD21 ASN 36 1HD2 ASN 36 5.504 12.648 -3.030 265 HD22 ASN 36 2HD2 ASN 36 5.833 13.705 -1.704 266 H CYS 37 HN CYS 37 0.868 9.155 -1.112 267 HA CYS 37 HA CYS 37 1.260 6.504 -1.620 268 HB2 CYS 37 2HB CYS 37 -0.937 7.014 -1.115 269 HB3 CYS 37 3HB CYS 37 -0.990 8.373 -2.232 270 HA PRO 38 HA PRO 38 2.818 6.131 -5.719 271 HB2 PRO 38 2HB PRO 38 2.023 3.591 -6.258 272 HB3 PRO 38 3HB PRO 38 3.354 3.968 -5.158 273 HG2 PRO 38 2HG PRO 38 0.508 3.289 -4.525 274 HG3 PRO 38 3HG PRO 38 1.994 2.725 -3.739 275 HD2 PRO 38 2HD PRO 38 0.451 4.692 -2.698 276 HD3 PRO 38 3HD PRO 38 2.214 4.651 -2.491 277 H ILE 39 HN ILE 39 -0.443 4.731 -5.316 278 HA ILE 39 HA ILE 39 -1.268 4.882 -7.956 279 HB ILE 39 HB ILE 39 -3.042 5.320 -5.553 280 HG12 ILE 39 2HG1 ILE 39 -1.694 3.302 -5.257 281 HG13 ILE 39 3HG1 ILE 39 -3.370 2.875 -5.585 282 HG21 ILE 39 1HG2 ILE 39 -4.711 5.395 -7.010 283 HG22 ILE 39 2HG2 ILE 39 -3.566 5.241 -8.342 284 HG23 ILE 39 3HG2 ILE 39 -4.263 3.797 -7.609 285 HD11 ILE 39 1HD1 ILE 39 -2.160 2.943 -8.081 286 HD12 ILE 39 2HD1 ILE 39 -0.978 2.174 -7.021 287 HD13 ILE 39 3HD1 ILE 39 -2.607 1.514 -7.151 288 H CYS 40 HN CYS 40 -1.059 7.391 -5.541 289 HA CYS 40 HA CYS 40 -2.628 9.295 -7.015 290 HB2 CYS 40 2HB CYS 40 -0.848 9.506 -4.590 291 HB3 CYS 40 3HB CYS 40 -1.618 10.914 -5.313 292 H ARG 41 HN ARG 41 0.671 8.291 -6.957 293 HA ARG 41 HA ARG 41 1.754 10.675 -8.127 294 HB2 ARG 41 2HB ARG 41 3.485 9.620 -7.116 295 HB3 ARG 41 3HB ARG 41 2.760 8.029 -7.309 296 HG2 ARG 41 2HG ARG 41 3.582 7.810 -9.508 297 HG3 ARG 41 3HG ARG 41 4.013 9.519 -9.594 298 HD2 ARG 41 2HD ARG 41 5.739 9.199 -7.922 299 HD3 ARG 41 3HD ARG 41 5.269 7.511 -7.728 300 HE ARG 41 HE ARG 41 5.863 7.612 -10.335 301 HH11 ARG 41 1HH1 ARG 41 7.566 8.780 -7.531 302 HH12 ARG 41 2HH1 ARG 41 9.135 8.577 -8.239 303 HH21 ARG 41 1HH2 ARG 41 7.923 7.340 -11.276 304 HH22 ARG 41 2HH2 ARG 41 9.337 7.760 -10.370 305 H LEU 42 HN LEU 42 0.131 7.893 -9.304 306 HA LEU 42 HA LEU 42 1.199 7.744 -11.905 307 HB2 LEU 42 2HB LEU 42 -1.007 6.607 -10.433 308 HB3 LEU 42 3HB LEU 42 -1.491 7.009 -12.080 309 HG LEU 42 HG LEU 42 0.965 5.372 -11.524 310 HD11 LEU 42 1HD1 LEU 42 -0.187 3.499 -11.128 311 HD12 LEU 42 2HD1 LEU 42 -1.435 3.902 -12.308 312 HD13 LEU 42 3HD1 LEU 42 -1.509 4.578 -10.680 313 HD21 LEU 42 1HD2 LEU 42 0.128 4.472 -13.824 314 HD22 LEU 42 2HD2 LEU 42 0.998 6.003 -13.739 315 HD23 LEU 42 3HD2 LEU 42 -0.760 5.995 -13.880 Start of MODEL 18 1 H1 GLU 1 HN GLU 1 -14.443 -5.245 6.194 2 HA GLU 1 HA GLU 1 -12.412 -6.779 5.420 3 HB2 GLU 1 2HB GLU 1 -13.999 -7.882 3.744 4 HB3 GLU 1 3HB GLU 1 -14.535 -7.787 5.416 5 HG2 GLU 1 2HG GLU 1 -15.606 -5.521 4.522 6 HG3 GLU 1 3HG GLU 1 -15.572 -6.423 3.007 7 H GLU 2 HN GLU 2 -11.452 -4.405 4.553 8 HA GLU 2 HA GLU 2 -11.660 -4.239 1.670 9 HB2 GLU 2 2HB GLU 2 -10.226 -2.661 3.779 10 HB3 GLU 2 3HB GLU 2 -9.788 -2.474 2.088 11 HG2 GLU 2 2HG GLU 2 -11.321 -0.804 2.312 12 HG3 GLU 2 3HG GLU 2 -12.359 -2.122 1.772 13 H GLU 3 HN GLU 3 -9.668 -4.185 0.329 14 HA GLU 3 HA GLU 3 -7.559 -5.966 1.332 15 HB2 GLU 3 2HB GLU 3 -8.936 -6.243 -1.347 16 HB3 GLU 3 3HB GLU 3 -7.556 -7.187 -0.805 17 HG2 GLU 3 2HG GLU 3 -9.078 -7.869 1.159 18 HG3 GLU 3 3HG GLU 3 -10.390 -7.283 0.138 19 H CYS 4 HN CYS 4 -5.516 -5.593 0.524 20 HA CYS 4 HA CYS 4 -4.691 -3.088 -0.088 21 HB2 CYS 4 2HB CYS 4 -3.259 -5.131 0.395 22 HB3 CYS 4 3HB CYS 4 -3.389 -5.517 -1.317 23 H CYS 5 HN CYS 5 -4.090 -1.957 -1.981 24 HA CYS 5 HA CYS 5 -5.795 -2.587 -4.269 25 HB2 CYS 5 2HB CYS 5 -5.974 -0.330 -3.376 26 HB3 CYS 5 3HB CYS 5 -4.242 -0.087 -3.571 27 HG CYS 5 HG CYS 5 -5.521 -0.946 -6.468 28 H ILE 6 HN ILE 6 -2.413 -2.047 -3.437 29 HA ILE 6 HA ILE 6 -1.427 -2.218 -6.100 30 HB ILE 6 HB ILE 6 -0.097 -2.480 -3.414 31 HG12 ILE 6 2HG1 ILE 6 0.021 -0.407 -5.614 32 HG13 ILE 6 3HG1 ILE 6 -0.776 -0.233 -4.055 33 HG21 ILE 6 1HG2 ILE 6 1.474 -3.706 -4.447 34 HG22 ILE 6 2HG2 ILE 6 0.915 -3.248 -6.056 35 HG23 ILE 6 3HG2 ILE 6 1.971 -2.166 -5.148 36 HD11 ILE 6 1HD1 ILE 6 2.054 0.031 -4.773 37 HD12 ILE 6 2HD1 ILE 6 1.122 0.814 -3.496 38 HD13 ILE 6 3HD1 ILE 6 1.734 -0.823 -3.265 39 H CYS 7 HN CYS 7 -0.799 -4.489 -3.426 40 HA CYS 7 HA CYS 7 -0.363 -6.637 -5.308 41 HB2 CYS 7 2HB CYS 7 0.382 -7.917 -3.451 42 HB3 CYS 7 3HB CYS 7 0.970 -6.280 -3.178 43 H MET 8 HN MET 8 -2.878 -5.561 -3.149 44 HA MET 8 HA MET 8 -4.877 -6.522 -2.516 45 HB2 MET 8 2HB MET 8 -5.047 -5.558 -4.927 46 HB3 MET 8 3HB MET 8 -5.146 -7.244 -5.416 47 HG2 MET 8 2HG MET 8 -6.985 -7.133 -3.407 48 HG3 MET 8 3HG MET 8 -7.134 -5.535 -4.135 49 HE1 MET 8 1HE MET 8 -9.041 -5.699 -6.941 50 HE2 MET 8 2HE MET 8 -9.977 -6.303 -5.573 51 HE3 MET 8 3HE MET 8 -8.723 -5.089 -5.317 52 H ASP 9 HN ASP 9 -3.001 -8.341 -1.878 53 HA ASP 9 HA ASP 9 -4.297 -10.876 -2.607 54 HB2 ASP 9 2HB ASP 9 -1.822 -10.215 -3.548 55 HB3 ASP 9 3HB ASP 9 -1.408 -11.055 -2.056 56 H GLY 10 HN GLY 10 -5.188 -9.774 -0.423 57 HA2 GLY 10 1HA GLY 10 -4.770 -11.553 1.628 58 HA3 GLY 10 2HA GLY 10 -3.613 -10.261 1.918 59 H ARG 11 HN ARG 11 -4.297 -8.357 2.773 60 HA ARG 11 HA ARG 11 -7.132 -7.746 2.895 61 HB2 ARG 11 2HB ARG 11 -7.276 -7.649 5.282 62 HB3 ARG 11 3HB ARG 11 -6.665 -9.240 4.851 63 HG2 ARG 11 2HG ARG 11 -4.739 -7.059 5.506 64 HG3 ARG 11 3HG ARG 11 -5.590 -7.898 6.805 65 HD2 ARG 11 2HD ARG 11 -4.799 -10.055 5.706 66 HD3 ARG 11 3HD ARG 11 -3.716 -9.042 4.754 67 HE ARG 11 HE ARG 11 -3.442 -8.482 7.517 68 HH11 ARG 11 1HH1 ARG 11 -2.629 -10.845 5.093 69 HH12 ARG 11 2HH1 ARG 11 -1.211 -11.398 5.921 70 HH21 ARG 11 1HH2 ARG 11 -1.577 -9.201 8.617 71 HH22 ARG 11 2HH2 ARG 11 -0.614 -10.463 7.925 72 H ALA 12 HN ALA 12 -7.474 -5.618 4.090 73 HA ALA 12 HA ALA 12 -5.187 -3.830 3.568 74 HB1 ALA 12 1HB ALA 12 -8.122 -3.228 3.224 75 HB2 ALA 12 2HB ALA 12 -6.800 -2.087 2.973 76 HB3 ALA 12 3HB ALA 12 -6.957 -3.501 1.930 77 H ASP 13 HN ASP 13 -4.356 -3.427 5.535 78 HA ASP 13 HA ASP 13 -6.139 -2.933 7.792 79 HB2 ASP 13 2HB ASP 13 -3.963 -4.382 7.819 80 HB3 ASP 13 3HB ASP 13 -3.147 -2.828 7.965 81 H LEU 14 HN LEU 14 -4.191 -1.236 5.523 82 HA LEU 14 HA LEU 14 -4.611 1.259 7.036 83 HB2 LEU 14 2HB LEU 14 -2.206 0.134 6.057 84 HB3 LEU 14 3HB LEU 14 -2.555 1.559 5.080 85 HG LEU 14 HG LEU 14 -1.144 2.284 6.824 86 HD11 LEU 14 1HD1 LEU 14 -3.809 2.991 7.976 87 HD12 LEU 14 2HD1 LEU 14 -3.367 3.541 6.360 88 HD13 LEU 14 3HD1 LEU 14 -2.380 4.000 7.748 89 HD21 LEU 14 1HD2 LEU 14 -2.404 0.204 8.301 90 HD22 LEU 14 2HD2 LEU 14 -2.567 1.711 9.203 91 HD23 LEU 14 3HD2 LEU 14 -0.970 1.142 8.716 92 H ILE 15 HN ILE 15 -5.892 2.693 6.089 93 HA ILE 15 HA ILE 15 -6.268 2.527 3.169 94 HB ILE 15 HB ILE 15 -8.355 3.407 5.165 95 HG12 ILE 15 2HG1 ILE 15 -9.314 1.115 4.024 96 HG13 ILE 15 3HG1 ILE 15 -7.598 0.744 4.162 97 HG21 ILE 15 1HG2 ILE 15 -9.376 2.558 2.637 98 HG22 ILE 15 2HG2 ILE 15 -9.503 4.136 3.413 99 HG23 ILE 15 3HG2 ILE 15 -8.121 3.770 2.381 100 HD11 ILE 15 1HD1 ILE 15 -9.620 1.198 6.286 101 HD12 ILE 15 2HD1 ILE 15 -8.353 -0.023 6.167 102 HD13 ILE 15 3HD1 ILE 15 -7.941 1.633 6.608 103 H LEU 16 HN LEU 16 -4.612 4.102 2.885 104 HA LEU 16 HA LEU 16 -4.227 6.509 4.041 105 HB2 LEU 16 2HB LEU 16 -4.178 5.809 1.117 106 HB3 LEU 16 3HB LEU 16 -3.640 7.371 1.730 107 HG LEU 16 HG LEU 16 -2.422 4.675 2.319 108 HD11 LEU 16 1HD1 LEU 16 -0.660 6.693 1.284 109 HD12 LEU 16 2HD1 LEU 16 -2.038 6.468 0.206 110 HD13 LEU 16 3HD1 LEU 16 -1.029 5.091 0.645 111 HD21 LEU 16 1HD2 LEU 16 -2.255 7.236 3.727 112 HD22 LEU 16 2HD2 LEU 16 -0.692 6.545 3.290 113 HD23 LEU 16 3HD2 LEU 16 -1.828 5.611 4.266 114 HA PRO 17 HA PRO 17 -7.752 9.078 3.547 115 HB2 PRO 17 2HB PRO 17 -6.599 11.519 3.265 116 HB3 PRO 17 3HB PRO 17 -6.640 10.648 4.802 117 HG2 PRO 17 2HG PRO 17 -4.421 10.864 2.804 118 HG3 PRO 17 3HG PRO 17 -4.347 10.961 4.573 119 HD2 PRO 17 2HD PRO 17 -3.683 8.719 3.209 120 HD3 PRO 17 3HD PRO 17 -4.411 8.672 4.828 121 H CYS 18 HN CYS 18 -5.768 8.341 1.026 122 HA CYS 18 HA CYS 18 -7.083 10.158 -0.867 123 HB2 CYS 18 2HB CYS 18 -5.359 9.569 -2.442 124 HB3 CYS 18 3HB CYS 18 -4.591 9.974 -0.910 125 H ALA 19 HN ALA 19 -7.599 7.209 0.449 126 HA ALA 19 HA ALA 19 -9.149 5.603 -0.084 127 HB1 ALA 19 1HB ALA 19 -10.016 7.574 -1.628 128 HB2 ALA 19 2HB ALA 19 -9.438 6.496 -2.900 129 HB3 ALA 19 3HB ALA 19 -10.659 5.935 -1.757 130 H HIS 20 HN HIS 20 -6.562 4.937 -0.114 131 HA HIS 20 HA HIS 20 -6.455 2.930 -2.221 132 HB2 HIS 20 2HB HIS 20 -4.406 5.089 -1.824 133 HB3 HIS 20 3HB HIS 20 -3.934 3.519 -2.467 134 HD2 HIS 20 2HD HIS 20 -6.760 3.315 -4.376 135 HE1 HIS 20 1HE HIS 20 -4.923 6.620 -6.300 136 HE2 HIS 20 2HE HIS 20 -6.721 4.862 -6.449 137 H SER 21 HN SER 21 -6.500 1.173 -0.955 138 HA SER 21 HA SER 21 -5.381 1.010 1.631 139 HB2 SER 21 2HB SER 21 -5.709 -1.490 1.299 140 HB3 SER 21 3HB SER 21 -7.150 -0.496 1.095 141 HG SER 21 HG SER 21 -5.689 -0.878 -1.206 142 H PHE 22 HN PHE 22 -3.611 -0.317 2.350 143 HA PHE 22 HA PHE 22 -1.643 -1.216 0.455 144 HB2 PHE 22 2HB PHE 22 -1.018 1.150 2.233 145 HB3 PHE 22 3HB PHE 22 0.163 0.264 1.274 146 HD1 PHE 22 1HD PHE 22 -2.145 2.960 1.326 147 HD2 PHE 22 2HD PHE 22 -0.209 0.191 -1.262 148 HE1 PHE 22 1HE PHE 22 -2.602 4.437 -0.588 149 HE2 PHE 22 2HE PHE 22 -0.661 1.664 -3.181 150 HZ PHE 22 HZ PHE 22 -1.859 3.790 -2.845 151 H CYS 23 HN CYS 23 -1.981 -3.180 1.554 152 HA CYS 23 HA CYS 23 -1.988 -3.746 4.207 153 HB2 CYS 23 2HB CYS 23 -1.210 -5.946 3.682 154 HB3 CYS 23 3HB CYS 23 -2.164 -5.393 2.310 155 H GLN 24 HN GLN 24 -0.521 -4.039 5.850 156 HA GLN 24 HA GLN 24 1.532 -2.402 6.290 157 HB2 GLN 24 2HB GLN 24 0.953 -3.800 8.076 158 HB3 GLN 24 3HB GLN 24 1.193 -5.263 7.131 159 HG2 GLN 24 2HG GLN 24 2.964 -5.115 8.703 160 HG3 GLN 24 3HG GLN 24 3.632 -4.767 7.109 161 HE21 GLN 24 1HE2 GLN 24 5.063 -3.205 7.151 162 HE22 GLN 24 2HE2 GLN 24 5.030 -1.810 8.171 163 H LYS 25 HN LYS 25 2.107 -5.681 5.003 164 HA LYS 25 HA LYS 25 4.744 -5.659 4.501 165 HB2 LYS 25 2HB LYS 25 2.647 -6.586 2.529 166 HB3 LYS 25 3HB LYS 25 4.335 -7.080 2.533 167 HG2 LYS 25 2HG LYS 25 2.441 -7.573 4.818 168 HG3 LYS 25 3HG LYS 25 2.759 -8.733 3.526 169 HD2 LYS 25 2HD LYS 25 5.090 -8.841 4.136 170 HD3 LYS 25 3HD LYS 25 4.872 -7.563 5.334 171 HE2 LYS 25 2HE LYS 25 4.864 -9.541 6.583 172 HE3 LYS 25 3HE LYS 25 3.160 -9.120 6.419 173 HZ1 LYS 25 1HZ LYS 25 4.142 -10.803 4.304 174 HZ2 LYS 25 2HZ LYS 25 2.749 -10.958 5.249 175 HZ3 LYS 25 3HZ LYS 25 4.231 -11.528 5.830 176 H CYS 26 HN CYS 26 2.422 -4.528 2.036 177 HA CYS 26 HA CYS 26 4.266 -3.430 0.284 178 HB2 CYS 26 2HB CYS 26 1.388 -2.759 0.862 179 HB3 CYS 26 3HB CYS 26 2.300 -1.894 -0.371 180 H ILE 27 HN ILE 27 2.579 -1.869 2.989 181 HA ILE 27 HA ILE 27 3.512 0.721 2.656 182 HB ILE 27 HB ILE 27 2.202 -0.752 4.729 183 HG12 ILE 27 2HG1 ILE 27 2.532 2.238 4.579 184 HG13 ILE 27 3HG1 ILE 27 1.540 1.361 3.419 185 HG21 ILE 27 1HG2 ILE 27 3.096 0.429 6.693 186 HG22 ILE 27 2HG2 ILE 27 4.287 -0.642 5.959 187 HG23 ILE 27 3HG2 ILE 27 4.382 1.098 5.688 188 HD11 ILE 27 1HD1 ILE 27 -0.041 0.805 4.997 189 HD12 ILE 27 2HD1 ILE 27 1.083 0.998 6.343 190 HD13 ILE 27 3HD1 ILE 27 0.450 2.419 5.512 191 H ASP 28 HN ASP 28 5.142 -2.097 3.892 192 HA ASP 28 HA ASP 28 7.399 -0.523 4.856 193 HB2 ASP 28 2HB ASP 28 6.573 -2.481 6.158 194 HB3 ASP 28 3HB ASP 28 7.044 -3.528 4.820 195 H LYS 29 HN LYS 29 6.496 -2.596 2.195 196 HA LYS 29 HA LYS 29 9.162 -2.862 1.160 197 HB2 LYS 29 2HB LYS 29 6.500 -3.848 0.498 198 HB3 LYS 29 3HB LYS 29 7.419 -3.400 -0.932 199 HG2 LYS 29 2HG LYS 29 8.638 -5.243 -0.801 200 HG3 LYS 29 3HG LYS 29 9.064 -4.908 0.878 201 HD2 LYS 29 2HD LYS 29 6.512 -5.732 1.182 202 HD3 LYS 29 3HD LYS 29 6.979 -6.671 -0.238 203 HE2 LYS 29 2HE LYS 29 8.795 -7.676 0.925 204 HE3 LYS 29 3HE LYS 29 8.620 -6.566 2.285 205 HZ1 LYS 29 1HZ LYS 29 6.808 -7.678 3.081 206 HZ2 LYS 29 2HZ LYS 29 7.659 -8.971 2.399 207 HZ3 LYS 29 3HZ LYS 29 6.354 -8.286 1.569 208 H TRP 30 HN TRP 30 6.255 -1.256 -0.148 209 HA TRP 30 HA TRP 30 7.834 0.323 -1.958 210 HB2 TRP 30 2HB TRP 30 4.899 0.563 -1.265 211 HB3 TRP 30 3HB TRP 30 5.706 1.302 -2.645 212 HD1 TRP 30 1HD TRP 30 4.161 -1.946 -1.481 213 HE1 TRP 30 1HE TRP 30 4.156 -3.630 -3.427 214 HE3 TRP 30 3HE TRP 30 7.104 0.619 -4.783 215 HZ2 TRP 30 2HZ TRP 30 5.254 -3.844 -6.018 216 HZ3 TRP 30 3HZ TRP 30 7.579 -0.396 -6.973 217 HH2 TRP 30 2HH TRP 30 6.673 -2.582 -7.576 218 H SER 31 HN SER 31 9.142 1.181 -0.079 219 HA SER 31 HA SER 31 7.873 3.234 1.515 220 HB2 SER 31 2HB SER 31 9.649 1.860 2.502 221 HB3 SER 31 3HB SER 31 10.786 2.437 1.283 222 HG SER 31 HG SER 31 10.725 3.520 3.447 223 H ASP 32 HN ASP 32 8.573 5.455 1.531 224 HA ASP 32 HA ASP 32 10.107 6.482 -0.675 225 HB2 ASP 32 2HB ASP 32 7.872 8.020 -1.068 226 HB3 ASP 32 3HB ASP 32 8.356 6.665 -2.084 227 H ARG 33 HN ARG 33 10.449 8.796 -0.528 228 HA ARG 33 HA ARG 33 10.917 9.671 2.087 229 HB2 ARG 33 2HB ARG 33 12.002 11.380 1.098 230 HB3 ARG 33 3HB ARG 33 11.697 10.497 -0.392 231 HG2 ARG 33 2HG ARG 33 10.916 12.535 -1.007 232 HG3 ARG 33 3HG ARG 33 9.437 11.868 -0.314 233 HD2 ARG 33 2HD ARG 33 11.065 14.113 0.563 234 HD3 ARG 33 3HD ARG 33 9.392 13.708 0.952 235 HE ARG 33 HE ARG 33 10.720 11.956 2.461 236 HH11 ARG 33 1HH1 ARG 33 11.189 15.372 1.977 237 HH12 ARG 33 2HH1 ARG 33 11.829 15.642 3.564 238 HH21 ARG 33 1HH2 ARG 33 11.562 12.299 4.554 239 HH22 ARG 33 2HH2 ARG 33 12.042 13.893 5.029 240 H HIS 34 HN HIS 34 8.136 9.988 0.025 241 HA HIS 34 HA HIS 34 6.842 11.696 2.046 242 HB2 HIS 34 2HB HIS 34 5.204 11.789 -0.168 243 HB3 HIS 34 3HB HIS 34 6.394 13.010 0.277 244 HD2 HIS 34 2HD HIS 34 6.442 9.731 -1.956 245 HE1 HIS 34 1HE HIS 34 9.015 12.656 -3.633 246 HE2 HIS 34 2HE HIS 34 7.971 10.384 -3.936 247 H ARG 35 HN ARG 35 5.141 10.918 3.128 248 HA ARG 35 HA ARG 35 4.367 8.181 2.756 249 HB2 ARG 35 2HB ARG 35 3.588 10.355 4.673 250 HB3 ARG 35 3HB ARG 35 2.665 8.861 4.603 251 HG2 ARG 35 2HG ARG 35 4.825 7.633 4.987 252 HG3 ARG 35 3HG ARG 35 5.564 9.202 5.314 253 HD2 ARG 35 2HD ARG 35 4.982 8.675 7.440 254 HD3 ARG 35 3HD ARG 35 3.452 9.391 6.933 255 HE ARG 35 HE ARG 35 3.463 6.627 6.358 256 HH11 ARG 35 1HH1 ARG 35 3.261 8.852 9.029 257 HH12 ARG 35 2HH1 ARG 35 2.343 7.773 10.026 258 HH21 ARG 35 1HH2 ARG 35 2.254 5.199 7.662 259 HH22 ARG 35 2HH2 ARG 35 1.771 5.696 9.248 260 H ASN 36 HN ASN 36 3.597 10.742 0.984 261 HA ASN 36 HA ASN 36 0.864 10.996 0.843 262 HB2 ASN 36 2HB ASN 36 3.034 11.177 -1.216 263 HB3 ASN 36 3HB ASN 36 1.351 11.304 -1.717 264 HD21 ASN 36 1HD2 ASN 36 3.288 12.515 1.001 265 HD22 ASN 36 2HD2 ASN 36 2.791 14.162 0.841 266 H CYS 37 HN CYS 37 2.208 9.371 -1.934 267 HA CYS 37 HA CYS 37 1.434 6.761 -1.556 268 HB2 CYS 37 2HB CYS 37 -0.818 7.177 -1.212 269 HB3 CYS 37 3HB CYS 37 -0.837 8.555 -2.308 270 HA PRO 38 HA PRO 38 3.341 6.607 -5.520 271 HB2 PRO 38 2HB PRO 38 2.718 4.053 -6.200 272 HB3 PRO 38 3HB PRO 38 3.937 4.453 -4.983 273 HG2 PRO 38 2HG PRO 38 1.085 3.620 -4.608 274 HG3 PRO 38 3HG PRO 38 2.529 3.099 -3.719 275 HD2 PRO 38 2HD PRO 38 0.812 4.955 -2.750 276 HD3 PRO 38 3HD PRO 38 2.551 4.989 -2.399 277 H ILE 39 HN ILE 39 0.060 5.229 -5.328 278 HA ILE 39 HA ILE 39 -0.564 5.317 -8.039 279 HB ILE 39 HB ILE 39 -2.670 5.924 -6.003 280 HG12 ILE 39 2HG1 ILE 39 -1.005 3.440 -6.198 281 HG13 ILE 39 3HG1 ILE 39 -1.584 4.281 -4.764 282 HG21 ILE 39 1HG2 ILE 39 -2.781 3.862 -8.166 283 HG22 ILE 39 2HG2 ILE 39 -4.092 4.781 -7.428 284 HG23 ILE 39 3HG2 ILE 39 -2.984 5.571 -8.550 285 HD11 ILE 39 1HD1 ILE 39 -3.923 3.536 -5.578 286 HD12 ILE 39 2HD1 ILE 39 -3.020 2.364 -6.540 287 HD13 ILE 39 3HD1 ILE 39 -2.865 2.371 -4.783 288 H CYS 40 HN CYS 40 -1.778 7.632 -5.610 289 HA CYS 40 HA CYS 40 -2.721 9.540 -7.371 290 HB2 CYS 40 2HB CYS 40 -1.495 10.046 -4.651 291 HB3 CYS 40 3HB CYS 40 -2.585 11.128 -5.513 292 H ARG 41 HN ARG 41 0.506 8.682 -6.727 293 HA ARG 41 HA ARG 41 1.674 11.220 -7.431 294 HB2 ARG 41 2HB ARG 41 2.629 8.592 -6.531 295 HB3 ARG 41 3HB ARG 41 3.695 9.387 -7.682 296 HG2 ARG 41 2HG ARG 41 3.651 11.404 -6.212 297 HG3 ARG 41 3HG ARG 41 2.766 10.444 -5.025 298 HD2 ARG 41 2HD ARG 41 4.625 9.427 -4.330 299 HD3 ARG 41 3HD ARG 41 5.134 9.075 -5.981 300 HE ARG 41 HE ARG 41 5.978 11.285 -4.332 301 HH11 ARG 41 1HH1 ARG 41 5.681 10.046 -7.572 302 HH12 ARG 41 2HH1 ARG 41 6.927 11.065 -8.214 303 HH21 ARG 41 1HH2 ARG 41 7.619 12.631 -5.167 304 HH22 ARG 41 2HH2 ARG 41 8.029 12.534 -6.845 305 H LEU 42 HN LEU 42 0.771 8.276 -9.059 306 HA LEU 42 HA LEU 42 2.283 8.781 -11.438 307 HB2 LEU 42 2HB LEU 42 -0.144 7.047 -11.397 308 HB3 LEU 42 3HB LEU 42 1.366 6.836 -12.280 309 HG LEU 42 HG LEU 42 0.823 6.265 -9.375 310 HD11 LEU 42 1HD1 LEU 42 2.162 4.320 -11.118 311 HD12 LEU 42 2HD1 LEU 42 0.491 4.686 -11.548 312 HD13 LEU 42 3HD1 LEU 42 0.876 4.092 -9.932 313 HD21 LEU 42 1HD2 LEU 42 3.261 5.553 -9.372 314 HD22 LEU 42 2HD2 LEU 42 2.941 7.286 -9.319 315 HD23 LEU 42 3HD2 LEU 42 3.439 6.527 -10.831 Start of MODEL 19 1 H1 GLU 1 HN GLU 1 -14.896 -3.211 3.746 2 HA GLU 1 HA GLU 1 -13.810 -5.931 3.467 3 HB2 GLU 1 2HB GLU 1 -16.367 -4.815 2.415 4 HB3 GLU 1 3HB GLU 1 -15.481 -5.949 1.405 5 HG2 GLU 1 2HG GLU 1 -15.494 -7.176 3.868 6 HG3 GLU 1 3HG GLU 1 -17.085 -6.421 3.776 7 H GLU 2 HN GLU 2 -12.131 -3.872 3.216 8 HA GLU 2 HA GLU 2 -11.950 -3.246 0.355 9 HB2 GLU 2 2HB GLU 2 -10.340 -2.091 2.637 10 HB3 GLU 2 3HB GLU 2 -10.370 -1.518 0.975 11 HG2 GLU 2 2HG GLU 2 -13.004 -1.609 2.219 12 HG3 GLU 2 3HG GLU 2 -11.871 -0.533 3.035 13 H GLU 3 HN GLU 3 -9.628 -3.155 -0.487 14 HA GLU 3 HA GLU 3 -7.937 -5.258 0.639 15 HB2 GLU 3 2HB GLU 3 -8.677 -5.208 -2.288 16 HB3 GLU 3 3HB GLU 3 -7.699 -6.411 -1.459 17 HG2 GLU 3 2HG GLU 3 -9.576 -7.254 -0.281 18 HG3 GLU 3 3HG GLU 3 -10.586 -5.905 -0.803 19 H CYS 4 HN CYS 4 -5.760 -5.289 -0.338 20 HA CYS 4 HA CYS 4 -4.606 -2.744 -0.378 21 HB2 CYS 4 2HB CYS 4 -3.430 -4.902 0.142 22 HB3 CYS 4 3HB CYS 4 -3.423 -5.252 -1.583 23 H CYS 5 HN CYS 5 -4.097 -1.325 -1.956 24 HA CYS 5 HA CYS 5 -5.279 -1.765 -4.570 25 HB2 CYS 5 2HB CYS 5 -5.012 0.460 -2.955 26 HB3 CYS 5 3HB CYS 5 -3.795 0.729 -4.198 27 HG CYS 5 HG CYS 5 -6.719 -0.238 -5.467 28 H ILE 6 HN ILE 6 -3.069 -3.416 -4.031 29 HA ILE 6 HA ILE 6 -1.378 -2.693 -6.267 30 HB ILE 6 HB ILE 6 -0.222 -3.059 -3.502 31 HG12 ILE 6 2HG1 ILE 6 -0.172 -0.766 -5.474 32 HG13 ILE 6 3HG1 ILE 6 -0.959 -0.791 -3.899 33 HG21 ILE 6 1HG2 ILE 6 1.244 -4.263 -4.848 34 HG22 ILE 6 2HG2 ILE 6 1.045 -3.166 -6.214 35 HG23 ILE 6 3HG2 ILE 6 1.967 -2.654 -4.800 36 HD11 ILE 6 1HD1 ILE 6 1.887 -0.420 -4.596 37 HD12 ILE 6 2HD1 ILE 6 0.915 0.331 -3.331 38 HD13 ILE 6 3HD1 ILE 6 1.528 -1.308 -3.116 39 H CYS 7 HN CYS 7 -0.725 -4.891 -3.569 40 HA CYS 7 HA CYS 7 -0.205 -7.085 -5.286 41 HB2 CYS 7 2HB CYS 7 -0.026 -8.403 -3.227 42 HB3 CYS 7 3HB CYS 7 0.836 -6.876 -3.075 43 H MET 8 HN MET 8 -2.981 -6.185 -3.285 44 HA MET 8 HA MET 8 -5.138 -6.902 -3.251 45 HB2 MET 8 2HB MET 8 -4.580 -8.027 -5.997 46 HB3 MET 8 3HB MET 8 -6.144 -7.577 -5.330 47 HG2 MET 8 2HG MET 8 -5.066 -5.216 -5.130 48 HG3 MET 8 3HG MET 8 -3.943 -5.840 -6.336 49 HE1 MET 8 1HE MET 8 -4.909 -5.242 -9.232 50 HE2 MET 8 2HE MET 8 -4.365 -6.682 -8.371 51 HE3 MET 8 3HE MET 8 -5.867 -6.722 -9.296 52 H ASP 9 HN ASP 9 -3.677 -8.486 -1.770 53 HA ASP 9 HA ASP 9 -5.024 -10.962 -1.810 54 HB2 ASP 9 2HB ASP 9 -3.122 -12.465 -2.255 55 HB3 ASP 9 3HB ASP 9 -3.513 -11.479 -3.661 56 H GLY 10 HN GLY 10 -4.224 -8.740 -0.047 57 HA2 GLY 10 1HA GLY 10 -3.348 -10.385 2.192 58 HA3 GLY 10 2HA GLY 10 -2.311 -9.029 1.778 59 H ARG 11 HN ARG 11 -5.712 -8.702 1.279 60 HA ARG 11 HA ARG 11 -7.270 -7.332 2.211 61 HB2 ARG 11 2HB ARG 11 -5.929 -8.647 4.480 62 HB3 ARG 11 3HB ARG 11 -6.788 -7.168 4.890 63 HG2 ARG 11 2HG ARG 11 -8.643 -8.368 5.003 64 HG3 ARG 11 3HG ARG 11 -8.538 -8.594 3.257 65 HD2 ARG 11 2HD ARG 11 -8.758 -10.722 4.492 66 HD3 ARG 11 3HD ARG 11 -7.270 -10.624 3.551 67 HE ARG 11 HE ARG 11 -6.443 -9.786 5.948 68 HH11 ARG 11 1HH1 ARG 11 -8.390 -12.518 5.016 69 HH12 ARG 11 2HH1 ARG 11 -7.860 -13.510 6.333 70 HH21 ARG 11 1HH2 ARG 11 -5.737 -11.084 7.686 71 HH22 ARG 11 2HH2 ARG 11 -6.351 -12.694 7.852 72 H ALA 12 HN ALA 12 -7.556 -5.307 3.618 73 HA ALA 12 HA ALA 12 -5.196 -3.584 3.235 74 HB1 ALA 12 1HB ALA 12 -6.806 -2.741 1.793 75 HB2 ALA 12 2HB ALA 12 -8.125 -3.050 2.922 76 HB3 ALA 12 3HB ALA 12 -6.993 -1.731 3.227 77 H ASP 13 HN ASP 13 -4.217 -3.128 5.089 78 HA ASP 13 HA ASP 13 -5.830 -2.917 7.537 79 HB2 ASP 13 2HB ASP 13 -3.893 -4.568 7.405 80 HB3 ASP 13 3HB ASP 13 -2.827 -3.164 7.395 81 H LEU 14 HN LEU 14 -4.184 -1.070 5.251 82 HA LEU 14 HA LEU 14 -4.255 1.258 7.043 83 HB2 LEU 14 2HB LEU 14 -1.923 0.090 6.142 84 HB3 LEU 14 3HB LEU 14 -2.182 1.411 5.004 85 HG LEU 14 HG LEU 14 -0.803 2.329 6.642 86 HD11 LEU 14 1HD1 LEU 14 -3.315 3.170 7.953 87 HD12 LEU 14 2HD1 LEU 14 -3.204 3.417 6.211 88 HD13 LEU 14 3HD1 LEU 14 -2.003 4.137 7.282 89 HD21 LEU 14 1HD2 LEU 14 -2.548 1.357 8.877 90 HD22 LEU 14 2HD2 LEU 14 -0.878 1.919 8.935 91 HD23 LEU 14 3HD2 LEU 14 -1.257 0.352 8.219 92 H ILE 15 HN ILE 15 -6.114 2.093 6.176 93 HA ILE 15 HA ILE 15 -6.298 2.467 3.290 94 HB ILE 15 HB ILE 15 -8.316 3.268 5.384 95 HG12 ILE 15 2HG1 ILE 15 -9.398 1.071 4.273 96 HG13 ILE 15 3HG1 ILE 15 -7.696 0.642 4.143 97 HG21 ILE 15 1HG2 ILE 15 -9.049 4.359 3.534 98 HG22 ILE 15 2HG2 ILE 15 -8.240 3.254 2.425 99 HG23 ILE 15 3HG2 ILE 15 -9.755 2.779 3.193 100 HD11 ILE 15 1HD1 ILE 15 -9.362 0.339 6.354 101 HD12 ILE 15 2HD1 ILE 15 -7.616 0.100 6.284 102 HD13 ILE 15 3HD1 ILE 15 -8.274 1.665 6.762 103 H LEU 16 HN LEU 16 -4.871 4.087 2.784 104 HA LEU 16 HA LEU 16 -4.337 6.400 4.202 105 HB2 LEU 16 2HB LEU 16 -4.293 5.812 1.259 106 HB3 LEU 16 3HB LEU 16 -3.799 7.376 1.903 107 HG LEU 16 HG LEU 16 -2.463 4.708 2.200 108 HD11 LEU 16 1HD1 LEU 16 -0.854 7.088 1.791 109 HD12 LEU 16 2HD1 LEU 16 -2.066 6.866 0.529 110 HD13 LEU 16 3HD1 LEU 16 -0.906 5.583 0.872 111 HD21 LEU 16 1HD2 LEU 16 -2.451 5.396 4.434 112 HD22 LEU 16 2HD2 LEU 16 -2.253 7.095 4.006 113 HD23 LEU 16 3HD2 LEU 16 -0.910 5.971 3.795 114 HA PRO 17 HA PRO 17 -7.839 9.026 3.864 115 HB2 PRO 17 2HB PRO 17 -6.669 11.467 3.664 116 HB3 PRO 17 3HB PRO 17 -6.693 10.534 5.165 117 HG2 PRO 17 2HG PRO 17 -4.504 10.813 3.142 118 HG3 PRO 17 3HG PRO 17 -4.401 10.838 4.913 119 HD2 PRO 17 2HD PRO 17 -3.779 8.648 3.446 120 HD3 PRO 17 3HD PRO 17 -4.482 8.540 5.074 121 H CYS 18 HN CYS 18 -5.903 8.376 1.284 122 HA CYS 18 HA CYS 18 -7.290 10.248 -0.510 123 HB2 CYS 18 2HB CYS 18 -5.547 9.624 -2.169 124 HB3 CYS 18 3HB CYS 18 -4.880 10.350 -0.711 125 H ALA 19 HN ALA 19 -7.841 7.338 0.702 126 HA ALA 19 HA ALA 19 -9.289 5.679 0.077 127 HB1 ALA 19 1HB ALA 19 -10.120 7.657 -1.491 128 HB2 ALA 19 2HB ALA 19 -9.486 6.583 -2.739 129 HB3 ALA 19 3HB ALA 19 -10.741 6.013 -1.639 130 H HIS 20 HN HIS 20 -6.467 5.415 -0.077 131 HA HIS 20 HA HIS 20 -6.290 3.324 -2.132 132 HB2 HIS 20 2HB HIS 20 -4.253 5.469 -1.541 133 HB3 HIS 20 3HB HIS 20 -3.842 3.981 -2.387 134 HD2 HIS 20 2HD HIS 20 -6.297 3.826 -4.502 135 HE1 HIS 20 1HE HIS 20 -5.134 7.762 -5.579 136 HE2 HIS 20 2HE HIS 20 -6.495 5.744 -6.227 137 H SER 21 HN SER 21 -6.351 1.552 -0.876 138 HA SER 21 HA SER 21 -5.146 1.423 1.711 139 HB2 SER 21 2HB SER 21 -5.617 -1.200 0.699 140 HB3 SER 21 3HB SER 21 -6.561 -0.302 1.888 141 HG SER 21 HG SER 21 -7.504 -1.045 -0.302 142 H PHE 22 HN PHE 22 -3.476 -0.114 2.335 143 HA PHE 22 HA PHE 22 -1.716 -1.178 0.329 144 HB2 PHE 22 2HB PHE 22 -0.763 1.124 2.046 145 HB3 PHE 22 3HB PHE 22 0.263 0.137 1.010 146 HD1 PHE 22 1HD PHE 22 -0.140 0.172 -1.474 147 HD2 PHE 22 2HD PHE 22 -1.935 2.961 1.193 148 HE1 PHE 22 1HE PHE 22 -0.592 1.683 -3.363 149 HE2 PHE 22 2HE PHE 22 -2.391 4.476 -0.691 150 HZ PHE 22 HZ PHE 22 -1.720 3.836 -2.973 151 H CYS 23 HN CYS 23 -2.153 -3.101 1.463 152 HA CYS 23 HA CYS 23 -2.091 -3.710 4.081 153 HB2 CYS 23 2HB CYS 23 -1.397 -5.927 3.522 154 HB3 CYS 23 3HB CYS 23 -2.335 -5.325 2.160 155 H GLN 24 HN GLN 24 -0.630 -4.025 5.712 156 HA GLN 24 HA GLN 24 1.510 -2.463 6.089 157 HB2 GLN 24 2HB GLN 24 0.842 -3.747 7.931 158 HB3 GLN 24 3HB GLN 24 1.007 -5.262 7.054 159 HG2 GLN 24 2HG GLN 24 2.753 -4.962 8.742 160 HG3 GLN 24 3HG GLN 24 3.410 -5.081 7.110 161 HE21 GLN 24 1HE2 GLN 24 2.036 -2.441 9.044 162 HE22 GLN 24 2HE2 GLN 24 3.373 -1.365 8.835 163 H LYS 25 HN LYS 25 1.794 -5.777 4.803 164 HA LYS 25 HA LYS 25 4.425 -6.050 4.360 165 HB2 LYS 25 2HB LYS 25 2.211 -6.688 2.405 166 HB3 LYS 25 3HB LYS 25 3.862 -7.272 2.241 167 HG2 LYS 25 2HG LYS 25 3.681 -8.690 4.056 168 HG3 LYS 25 3HG LYS 25 2.332 -7.791 4.754 169 HD2 LYS 25 2HD LYS 25 1.644 -8.779 2.138 170 HD3 LYS 25 3HD LYS 25 2.208 -10.097 3.168 171 HE2 LYS 25 2HE LYS 25 -0.040 -8.166 3.708 172 HE3 LYS 25 3HE LYS 25 -0.154 -9.906 3.456 173 HZ1 LYS 25 1HZ LYS 25 0.666 -8.424 5.830 174 HZ2 LYS 25 2HZ LYS 25 1.464 -9.884 5.526 175 HZ3 LYS 25 3HZ LYS 25 -0.218 -9.861 5.704 176 H CYS 26 HN CYS 26 2.392 -4.733 1.744 177 HA CYS 26 HA CYS 26 4.471 -3.712 0.212 178 HB2 CYS 26 2HB CYS 26 1.613 -2.747 0.441 179 HB3 CYS 26 3HB CYS 26 2.734 -2.248 -0.823 180 H ILE 27 HN ILE 27 2.923 -2.405 3.036 181 HA ILE 27 HA ILE 27 3.804 0.281 2.727 182 HB ILE 27 HB ILE 27 2.265 -1.185 4.629 183 HG12 ILE 27 2HG1 ILE 27 2.807 1.786 4.454 184 HG13 ILE 27 3HG1 ILE 27 1.672 0.923 3.422 185 HG21 ILE 27 1HG2 ILE 27 4.213 -1.254 6.050 186 HG22 ILE 27 2HG2 ILE 27 4.469 0.477 5.837 187 HG23 ILE 27 3HG2 ILE 27 3.051 -0.104 6.708 188 HD11 ILE 27 1HD1 ILE 27 1.300 1.979 6.058 189 HD12 ILE 27 2HD1 ILE 27 0.112 1.310 4.938 190 HD13 ILE 27 3HD1 ILE 27 0.980 0.245 6.043 191 H ASP 28 HN ASP 28 5.270 -2.621 3.937 192 HA ASP 28 HA ASP 28 7.331 -1.385 5.461 193 HB2 ASP 28 2HB ASP 28 6.572 -3.775 5.693 194 HB3 ASP 28 3HB ASP 28 7.403 -4.120 4.179 195 H LYS 29 HN LYS 29 7.086 -2.531 2.129 196 HA LYS 29 HA LYS 29 9.826 -1.754 1.559 197 HB2 LYS 29 2HB LYS 29 8.313 -3.746 0.569 198 HB3 LYS 29 3HB LYS 29 7.985 -2.511 -0.641 199 HG2 LYS 29 2HG LYS 29 10.033 -2.664 -1.534 200 HG3 LYS 29 3HG LYS 29 10.818 -2.829 0.038 201 HD2 LYS 29 2HD LYS 29 9.348 -5.003 -1.454 202 HD3 LYS 29 3HD LYS 29 11.099 -4.852 -1.298 203 HE2 LYS 29 2HE LYS 29 9.916 -4.750 1.300 204 HE3 LYS 29 3HE LYS 29 9.290 -6.155 0.439 205 HZ1 LYS 29 1HZ LYS 29 11.217 -7.195 0.681 206 HZ2 LYS 29 2HZ LYS 29 11.717 -5.950 1.711 207 HZ3 LYS 29 3HZ LYS 29 12.095 -5.888 0.063 208 H TRP 30 HN TRP 30 6.605 -0.923 0.268 209 HA TRP 30 HA TRP 30 7.702 1.520 -0.883 210 HB2 TRP 30 2HB TRP 30 4.804 0.790 -1.044 211 HB3 TRP 30 3HB TRP 30 5.815 1.621 -2.224 212 HD1 TRP 30 1HD TRP 30 4.022 -1.397 -2.108 213 HE1 TRP 30 1HE TRP 30 5.125 -3.295 -3.451 214 HE3 TRP 30 3HE TRP 30 8.723 0.560 -2.567 215 HZ2 TRP 30 2HZ TRP 30 7.654 -3.885 -4.559 216 HZ3 TRP 30 3HZ TRP 30 10.426 -0.735 -3.783 217 HH2 TRP 30 2HH TRP 30 9.900 -2.911 -4.757 218 H SER 31 HN SER 31 6.483 3.565 -0.602 219 HA SER 31 HA SER 31 5.580 5.221 0.678 220 HB2 SER 31 2HB SER 31 4.147 2.834 1.526 221 HB3 SER 31 3HB SER 31 4.309 4.002 2.838 222 HG SER 31 HG SER 31 2.637 4.075 0.787 223 H ASP 32 HN ASP 32 7.343 6.186 1.522 224 HA ASP 32 HA ASP 32 7.925 5.783 4.291 225 HB2 ASP 32 2HB ASP 32 10.503 5.521 3.504 226 HB3 ASP 32 3HB ASP 32 9.472 4.162 3.944 227 H ARG 33 HN ARG 33 9.951 7.190 4.882 228 HA ARG 33 HA ARG 33 10.717 9.324 5.097 229 HB2 ARG 33 2HB ARG 33 10.888 8.722 2.189 230 HB3 ARG 33 3HB ARG 33 11.125 10.394 2.681 231 HG2 ARG 33 2HG ARG 33 12.659 8.720 4.396 232 HG3 ARG 33 3HG ARG 33 12.984 8.273 2.720 233 HD2 ARG 33 2HD ARG 33 12.914 11.163 3.389 234 HD3 ARG 33 3HD ARG 33 14.297 10.228 3.955 235 HE ARG 33 HE ARG 33 14.047 9.567 1.315 236 HH11 ARG 33 1HH1 ARG 33 14.429 12.534 3.097 237 HH12 ARG 33 2HH1 ARG 33 15.283 13.341 1.825 238 HH21 ARG 33 1HH2 ARG 33 15.170 10.620 -0.368 239 HH22 ARG 33 2HH2 ARG 33 15.703 12.252 -0.147 240 H HIS 34 HN HIS 34 9.213 10.188 2.066 241 HA HIS 34 HA HIS 34 7.834 12.380 3.216 242 HB2 HIS 34 2HB HIS 34 7.851 11.098 0.503 243 HB3 HIS 34 3HB HIS 34 6.668 12.348 0.881 244 HD2 HIS 34 2HD HIS 34 10.530 11.991 0.359 245 HE1 HIS 34 1HE HIS 34 9.536 16.115 0.447 246 HE2 HIS 34 2HE HIS 34 11.330 14.419 -0.047 247 H ARG 35 HN ARG 35 7.007 9.070 2.702 248 HA ARG 35 HA ARG 35 5.207 7.853 3.403 249 HB2 ARG 35 2HB ARG 35 5.188 9.940 5.137 250 HB3 ARG 35 3HB ARG 35 3.625 10.156 4.359 251 HG2 ARG 35 2HG ARG 35 2.974 7.907 4.973 252 HG3 ARG 35 3HG ARG 35 4.563 7.621 5.686 253 HD2 ARG 35 2HD ARG 35 4.066 9.623 7.182 254 HD3 ARG 35 3HD ARG 35 2.400 9.486 6.623 255 HE ARG 35 HE ARG 35 2.142 7.746 8.066 256 HH11 ARG 35 1HH1 ARG 35 5.530 8.066 7.331 257 HH12 ARG 35 2HH1 ARG 35 6.019 6.817 8.427 258 HH21 ARG 35 1HH2 ARG 35 2.774 6.099 9.513 259 HH22 ARG 35 2HH2 ARG 35 4.451 5.698 9.667 260 H ASN 36 HN ASN 36 5.324 9.894 0.974 261 HA ASN 36 HA ASN 36 2.706 10.464 0.200 262 HB2 ASN 36 2HB ASN 36 3.638 10.511 -2.131 263 HB3 ASN 36 3HB ASN 36 4.544 11.478 -0.970 264 HD21 ASN 36 1HD2 ASN 36 5.995 11.092 -2.984 265 HD22 ASN 36 2HD2 ASN 36 7.117 9.787 -2.826 266 H CYS 37 HN CYS 37 1.518 9.456 -1.635 267 HA CYS 37 HA CYS 37 1.508 6.539 -1.302 268 HB2 CYS 37 2HB CYS 37 -0.625 7.342 -0.776 269 HB3 CYS 37 3HB CYS 37 -0.597 8.540 -2.067 270 HA PRO 38 HA PRO 38 3.037 5.946 -5.390 271 HB2 PRO 38 2HB PRO 38 2.135 3.420 -5.808 272 HB3 PRO 38 3HB PRO 38 3.493 3.790 -4.740 273 HG2 PRO 38 2HG PRO 38 0.631 3.254 -4.047 274 HG3 PRO 38 3HG PRO 38 2.103 2.666 -3.253 275 HD2 PRO 38 2HD PRO 38 0.653 4.736 -2.283 276 HD3 PRO 38 3HD PRO 38 2.415 4.634 -2.094 277 H ILE 39 HN ILE 39 -0.272 4.696 -4.892 278 HA ILE 39 HA ILE 39 -1.144 4.725 -7.505 279 HB ILE 39 HB ILE 39 -2.804 5.443 -5.086 280 HG12 ILE 39 2HG1 ILE 39 -1.547 3.288 -4.894 281 HG13 ILE 39 3HG1 ILE 39 -3.295 3.090 -4.887 282 HG21 ILE 39 1HG2 ILE 39 -3.482 4.657 -7.893 283 HG22 ILE 39 2HG2 ILE 39 -4.590 4.305 -6.568 284 HG23 ILE 39 3HG2 ILE 39 -4.132 5.973 -6.913 285 HD11 ILE 39 1HD1 ILE 39 -1.686 1.570 -6.343 286 HD12 ILE 39 2HD1 ILE 39 -3.314 2.001 -6.870 287 HD13 ILE 39 3HD1 ILE 39 -1.921 2.883 -7.497 288 H CYS 40 HN CYS 40 -1.791 7.313 -5.131 289 HA CYS 40 HA CYS 40 -2.980 9.211 -6.573 290 HB2 CYS 40 2HB CYS 40 -0.701 9.510 -4.631 291 HB3 CYS 40 3HB CYS 40 -1.482 10.915 -5.349 292 H ARG 41 HN ARG 41 0.374 8.254 -6.949 293 HA ARG 41 HA ARG 41 0.878 10.332 -8.916 294 HB2 ARG 41 2HB ARG 41 2.980 10.062 -8.223 295 HB3 ARG 41 3HB ARG 41 2.477 8.727 -7.197 296 HG2 ARG 41 2HG ARG 41 2.936 7.134 -8.880 297 HG3 ARG 41 3HG ARG 41 3.115 8.385 -10.112 298 HD2 ARG 41 2HD ARG 41 5.242 8.821 -9.531 299 HD3 ARG 41 3HD ARG 41 4.900 8.685 -7.807 300 HE ARG 41 HE ARG 41 4.915 6.165 -9.190 301 HH11 ARG 41 1HH1 ARG 41 6.849 8.549 -7.549 302 HH12 ARG 41 2HH1 ARG 41 8.106 7.432 -7.132 303 HH21 ARG 41 1HH2 ARG 41 6.565 4.685 -8.649 304 HH22 ARG 41 2HH2 ARG 41 7.944 5.235 -7.760 305 H LEU 42 HN LEU 42 0.613 6.798 -8.798 306 HA LEU 42 HA LEU 42 0.364 5.227 -10.429 307 HB2 LEU 42 2HB LEU 42 -1.370 7.483 -11.116 308 HB3 LEU 42 3HB LEU 42 -0.992 6.428 -12.476 309 HG LEU 42 HG LEU 42 -2.150 5.436 -9.876 310 HD11 LEU 42 1HD1 LEU 42 -3.477 7.111 -11.532 311 HD12 LEU 42 2HD1 LEU 42 -4.246 5.853 -10.567 312 HD13 LEU 42 3HD1 LEU 42 -3.862 5.552 -12.262 313 HD21 LEU 42 1HD2 LEU 42 -0.873 3.937 -11.576 314 HD22 LEU 42 2HD2 LEU 42 -2.340 4.098 -12.543 315 HD23 LEU 42 3HD2 LEU 42 -2.421 3.397 -10.925 Start of MODEL 20 1 H1 GLU 1 HN GLU 1 -14.562 -2.167 6.122 2 HA GLU 1 HA GLU 1 -12.414 -3.784 5.653 3 HB2 GLU 1 2HB GLU 1 -15.154 -4.151 5.918 4 HB3 GLU 1 3HB GLU 1 -14.790 -4.835 4.340 5 HG2 GLU 1 2HG GLU 1 -12.925 -6.115 5.505 6 HG3 GLU 1 3HG GLU 1 -13.701 -5.635 7.014 7 H GLU 2 HN GLU 2 -11.008 -3.838 4.040 8 HA GLU 2 HA GLU 2 -11.921 -4.017 1.305 9 HB2 GLU 2 2HB GLU 2 -10.606 -1.583 2.390 10 HB3 GLU 2 3HB GLU 2 -10.074 -2.144 0.810 11 HG2 GLU 2 2HG GLU 2 -11.845 -1.242 -0.151 12 HG3 GLU 2 3HG GLU 2 -12.925 -2.163 0.894 13 H GLU 3 HN GLU 3 -9.800 -3.988 -0.164 14 HA GLU 3 HA GLU 3 -7.733 -5.560 1.225 15 HB2 GLU 3 2HB GLU 3 -8.598 -6.148 -1.597 16 HB3 GLU 3 3HB GLU 3 -7.645 -7.152 -0.514 17 HG2 GLU 3 2HG GLU 3 -9.794 -8.126 -0.665 18 HG3 GLU 3 3HG GLU 3 -9.674 -7.378 0.927 19 H CYS 4 HN CYS 4 -5.628 -5.280 0.541 20 HA CYS 4 HA CYS 4 -4.656 -2.899 -0.179 21 HB2 CYS 4 2HB CYS 4 -3.327 -4.982 0.366 22 HB3 CYS 4 3HB CYS 4 -3.485 -5.435 -1.327 23 H CYS 5 HN CYS 5 -3.920 -1.869 -2.101 24 HA CYS 5 HA CYS 5 -5.574 -2.528 -4.436 25 HB2 CYS 5 2HB CYS 5 -4.824 -0.050 -3.143 26 HB3 CYS 5 3HB CYS 5 -4.388 -0.024 -4.848 27 HG CYS 5 HG CYS 5 -7.531 -0.805 -3.752 28 H ILE 6 HN ILE 6 -2.375 -2.544 -3.294 29 HA ILE 6 HA ILE 6 -1.204 -2.431 -5.967 30 HB ILE 6 HB ILE 6 0.040 -2.616 -3.227 31 HG12 ILE 6 2HG1 ILE 6 -0.102 -0.474 -5.348 32 HG13 ILE 6 3HG1 ILE 6 -0.707 -0.401 -3.697 33 HG21 ILE 6 1HG2 ILE 6 2.216 -2.473 -4.336 34 HG22 ILE 6 2HG2 ILE 6 1.358 -3.946 -4.783 35 HG23 ILE 6 3HG2 ILE 6 1.422 -2.589 -5.906 36 HD11 ILE 6 1HD1 ILE 6 2.183 -0.482 -4.529 37 HD12 ILE 6 2HD1 ILE 6 1.299 0.922 -3.930 38 HD13 ILE 6 3HD1 ILE 6 1.596 -0.453 -2.867 39 H CYS 7 HN CYS 7 -1.049 -4.634 -3.160 40 HA CYS 7 HA CYS 7 -0.140 -6.803 -4.845 41 HB2 CYS 7 2HB CYS 7 -0.972 -7.218 -2.005 42 HB3 CYS 7 3HB CYS 7 0.366 -7.938 -2.897 43 H MET 8 HN MET 8 -3.115 -5.644 -3.533 44 HA MET 8 HA MET 8 -5.245 -6.471 -3.501 45 HB2 MET 8 2HB MET 8 -4.189 -7.489 -6.136 46 HB3 MET 8 3HB MET 8 -5.878 -7.638 -5.668 47 HG2 MET 8 2HG MET 8 -6.316 -5.500 -6.121 48 HG3 MET 8 3HG MET 8 -4.822 -4.937 -5.376 49 HE1 MET 8 1HE MET 8 -6.017 -6.591 -9.111 50 HE2 MET 8 2HE MET 8 -6.875 -5.381 -8.156 51 HE3 MET 8 3HE MET 8 -5.935 -4.888 -9.566 52 H ASP 9 HN ASP 9 -3.311 -8.092 -2.113 53 HA ASP 9 HA ASP 9 -4.875 -10.475 -1.826 54 HB2 ASP 9 2HB ASP 9 -3.551 -11.187 -3.731 55 HB3 ASP 9 3HB ASP 9 -2.065 -10.700 -2.921 56 H GLY 10 HN GLY 10 -4.165 -8.337 -0.124 57 HA2 GLY 10 1HA GLY 10 -2.960 -9.862 2.039 58 HA3 GLY 10 2HA GLY 10 -2.082 -8.420 1.548 59 H ARG 11 HN ARG 11 -5.520 -8.390 1.281 60 HA ARG 11 HA ARG 11 -7.124 -7.151 2.314 61 HB2 ARG 11 2HB ARG 11 -5.507 -8.284 4.524 62 HB3 ARG 11 3HB ARG 11 -6.578 -6.953 4.945 63 HG2 ARG 11 2HG ARG 11 -7.440 -9.481 3.555 64 HG3 ARG 11 3HG ARG 11 -7.600 -9.167 5.283 65 HD2 ARG 11 2HD ARG 11 -8.894 -7.069 4.589 66 HD3 ARG 11 3HD ARG 11 -8.985 -7.810 2.992 67 HE ARG 11 HE ARG 11 -10.483 -8.539 5.318 68 HH11 ARG 11 1HH1 ARG 11 -9.126 -9.727 2.340 69 HH12 ARG 11 2HH1 ARG 11 -10.261 -11.027 2.190 70 HH21 ARG 11 1HH2 ARG 11 -11.984 -10.247 5.130 71 HH22 ARG 11 2HH2 ARG 11 -11.887 -11.322 3.776 72 H ALA 12 HN ALA 12 -7.343 -5.235 4.059 73 HA ALA 12 HA ALA 12 -5.186 -3.310 3.491 74 HB1 ALA 12 1HB ALA 12 -8.156 -2.803 3.424 75 HB2 ALA 12 2HB ALA 12 -6.919 -1.551 3.316 76 HB3 ALA 12 3HB ALA 12 -7.044 -2.777 2.056 77 H ASP 13 HN ASP 13 -4.200 -2.971 5.378 78 HA ASP 13 HA ASP 13 -5.794 -2.850 7.834 79 HB2 ASP 13 2HB ASP 13 -3.331 -4.020 7.264 80 HB3 ASP 13 3HB ASP 13 -2.921 -2.578 8.190 81 H LEU 14 HN LEU 14 -4.064 -0.871 5.625 82 HA LEU 14 HA LEU 14 -4.624 1.465 7.302 83 HB2 LEU 14 2HB LEU 14 -2.007 0.463 6.566 84 HB3 LEU 14 3HB LEU 14 -2.262 2.107 5.986 85 HG LEU 14 HG LEU 14 -2.680 1.304 8.857 86 HD11 LEU 14 1HD1 LEU 14 -0.225 1.451 7.447 87 HD12 LEU 14 2HD1 LEU 14 -0.491 1.222 9.175 88 HD13 LEU 14 3HD1 LEU 14 -0.327 2.850 8.516 89 HD21 LEU 14 1HD2 LEU 14 -1.896 4.033 8.124 90 HD22 LEU 14 2HD2 LEU 14 -3.125 3.467 9.257 91 HD23 LEU 14 3HD2 LEU 14 -3.481 3.537 7.530 92 H ILE 15 HN ILE 15 -6.233 2.259 6.044 93 HA ILE 15 HA ILE 15 -5.782 2.539 3.166 94 HB ILE 15 HB ILE 15 -8.263 2.997 4.823 95 HG12 ILE 15 2HG1 ILE 15 -8.247 0.988 2.673 96 HG13 ILE 15 3HG1 ILE 15 -7.165 0.625 4.013 97 HG21 ILE 15 1HG2 ILE 15 -8.516 4.497 3.070 98 HG22 ILE 15 2HG2 ILE 15 -7.688 3.448 1.921 99 HG23 ILE 15 3HG2 ILE 15 -9.316 3.046 2.466 100 HD11 ILE 15 1HD1 ILE 15 -10.137 0.909 4.016 101 HD12 ILE 15 2HD1 ILE 15 -9.139 -0.415 4.616 102 HD13 ILE 15 3HD1 ILE 15 -9.207 1.108 5.501 103 H LEU 16 HN LEU 16 -5.341 4.430 2.216 104 HA LEU 16 HA LEU 16 -4.738 6.719 3.803 105 HB2 LEU 16 2HB LEU 16 -4.795 6.197 0.847 106 HB3 LEU 16 3HB LEU 16 -4.441 7.794 1.502 107 HG LEU 16 HG LEU 16 -2.824 5.274 1.838 108 HD11 LEU 16 1HD1 LEU 16 -1.605 7.771 0.894 109 HD12 LEU 16 2HD1 LEU 16 -2.801 7.067 -0.195 110 HD13 LEU 16 3HD1 LEU 16 -1.407 6.117 0.317 111 HD21 LEU 16 1HD2 LEU 16 -2.766 7.862 3.327 112 HD22 LEU 16 2HD2 LEU 16 -1.260 7.000 3.013 113 HD23 LEU 16 3HD2 LEU 16 -2.551 6.216 3.922 114 HA PRO 17 HA PRO 17 -8.510 8.961 3.728 115 HB2 PRO 17 2HB PRO 17 -7.618 11.518 3.529 116 HB3 PRO 17 3HB PRO 17 -7.457 10.556 5.003 117 HG2 PRO 17 2HG PRO 17 -5.429 11.111 2.872 118 HG3 PRO 17 3HG PRO 17 -5.228 11.108 4.634 119 HD2 PRO 17 2HD PRO 17 -4.464 9.028 3.078 120 HD3 PRO 17 3HD PRO 17 -5.056 8.812 4.738 121 H CYS 18 HN CYS 18 -6.644 8.604 1.029 122 HA CYS 18 HA CYS 18 -8.428 10.261 -0.630 123 HB2 CYS 18 2HB CYS 18 -6.638 10.073 -2.372 124 HB3 CYS 18 3HB CYS 18 -6.138 10.936 -0.921 125 H ALA 19 HN ALA 19 -8.458 7.326 0.475 126 HA ALA 19 HA ALA 19 -9.545 5.432 -0.212 127 HB1 ALA 19 1HB ALA 19 -10.916 5.466 -2.047 128 HB2 ALA 19 2HB ALA 19 -10.706 7.197 -1.775 129 HB3 ALA 19 3HB ALA 19 -9.769 6.381 -3.025 130 H HIS 20 HN HIS 20 -7.072 4.979 0.092 131 HA HIS 20 HA HIS 20 -6.307 3.277 -2.125 132 HB2 HIS 20 2HB HIS 20 -4.727 5.686 -1.290 133 HB3 HIS 20 3HB HIS 20 -3.895 4.262 -1.905 134 HD2 HIS 20 2HD HIS 20 -5.516 3.487 -4.499 135 HE1 HIS 20 1HE HIS 20 -5.355 7.591 -5.560 136 HE2 HIS 20 2HE HIS 20 -5.841 5.254 -6.360 137 H SER 21 HN SER 21 -6.222 1.419 -1.021 138 HA SER 21 HA SER 21 -5.259 1.294 1.689 139 HB2 SER 21 2HB SER 21 -5.546 -1.251 1.219 140 HB3 SER 21 3HB SER 21 -6.984 -0.233 1.294 141 HG SER 21 HG SER 21 -7.129 -0.271 -0.902 142 H PHE 22 HN PHE 22 -3.565 -0.258 2.344 143 HA PHE 22 HA PHE 22 -1.586 -1.050 0.427 144 HB2 PHE 22 2HB PHE 22 -0.951 1.211 2.333 145 HB3 PHE 22 3HB PHE 22 0.248 0.331 1.392 146 HD1 PHE 22 1HD PHE 22 -2.109 3.020 1.420 147 HD2 PHE 22 2HD PHE 22 0.095 0.420 -1.130 148 HE1 PHE 22 1HE PHE 22 -2.449 4.576 -0.455 149 HE2 PHE 22 2HE PHE 22 -0.240 1.973 -3.009 150 HZ PHE 22 HZ PHE 22 -1.513 4.054 -2.673 151 H CYS 23 HN CYS 23 -1.979 -3.068 1.399 152 HA CYS 23 HA CYS 23 -1.956 -3.716 4.071 153 HB2 CYS 23 2HB CYS 23 -1.455 -5.965 3.424 154 HB3 CYS 23 3HB CYS 23 -2.438 -5.263 2.142 155 H GLN 24 HN GLN 24 -0.455 -4.009 5.632 156 HA GLN 24 HA GLN 24 1.874 -2.665 5.770 157 HB2 GLN 24 2HB GLN 24 0.930 -3.803 7.695 158 HB3 GLN 24 3HB GLN 24 1.308 -5.370 6.993 159 HG2 GLN 24 2HG GLN 24 3.227 -5.323 8.086 160 HG3 GLN 24 3HG GLN 24 3.729 -3.988 7.052 161 HE21 GLN 24 1HE2 GLN 24 3.750 -1.927 7.850 162 HE22 GLN 24 2HE2 GLN 24 3.499 -1.554 9.519 163 H LYS 25 HN LYS 25 1.505 -5.952 4.501 164 HA LYS 25 HA LYS 25 4.014 -6.822 4.108 165 HB2 LYS 25 2HB LYS 25 1.497 -7.194 2.757 166 HB3 LYS 25 3HB LYS 25 2.812 -7.216 1.589 167 HG2 LYS 25 2HG LYS 25 2.675 -8.921 4.068 168 HG3 LYS 25 3HG LYS 25 2.246 -9.452 2.440 169 HD2 LYS 25 2HD LYS 25 4.570 -8.863 1.725 170 HD3 LYS 25 3HD LYS 25 4.956 -8.562 3.420 171 HE2 LYS 25 2HE LYS 25 4.578 -11.100 1.982 172 HE3 LYS 25 3HE LYS 25 5.583 -10.729 3.381 173 HZ1 LYS 25 1HZ LYS 25 2.667 -11.274 3.364 174 HZ2 LYS 25 2HZ LYS 25 3.503 -10.700 4.717 175 HZ3 LYS 25 3HZ LYS 25 3.883 -12.215 4.070 176 H CYS 26 HN CYS 26 2.389 -4.808 1.647 177 HA CYS 26 HA CYS 26 4.833 -4.242 0.287 178 HB2 CYS 26 2HB CYS 26 3.432 -2.617 -1.002 179 HB3 CYS 26 3HB CYS 26 2.785 -4.255 -0.975 180 H ILE 27 HN ILE 27 2.776 -2.449 2.538 181 HA ILE 27 HA ILE 27 4.022 0.028 2.435 182 HB ILE 27 HB ILE 27 2.085 -1.197 4.071 183 HG12 ILE 27 2HG1 ILE 27 3.116 1.649 4.073 184 HG13 ILE 27 3HG1 ILE 27 1.935 0.994 2.942 185 HG21 ILE 27 1HG2 ILE 27 3.973 -1.548 5.673 186 HG22 ILE 27 2HG2 ILE 27 4.144 0.204 5.764 187 HG23 ILE 27 3HG2 ILE 27 2.651 -0.565 6.301 188 HD11 ILE 27 1HD1 ILE 27 0.573 0.437 5.062 189 HD12 ILE 27 2HD1 ILE 27 1.629 1.614 5.844 190 HD13 ILE 27 3HD1 ILE 27 0.624 2.101 4.479 191 H ASP 28 HN ASP 28 5.216 -2.939 3.638 192 HA ASP 28 HA ASP 28 7.235 -1.671 5.317 193 HB2 ASP 28 2HB ASP 28 5.910 -4.032 5.585 194 HB3 ASP 28 3HB ASP 28 7.402 -4.576 4.823 195 H LYS 29 HN LYS 29 6.938 -3.403 2.273 196 HA LYS 29 HA LYS 29 9.750 -3.598 1.799 197 HB2 LYS 29 2HB LYS 29 7.304 -4.405 0.478 198 HB3 LYS 29 3HB LYS 29 8.438 -3.714 -0.675 199 HG2 LYS 29 2HG LYS 29 9.866 -5.480 1.035 200 HG3 LYS 29 3HG LYS 29 8.424 -6.309 0.443 201 HD2 LYS 29 2HD LYS 29 10.138 -4.761 -1.457 202 HD3 LYS 29 3HD LYS 29 10.633 -6.376 -0.946 203 HE2 LYS 29 2HE LYS 29 8.574 -7.318 -1.770 204 HE3 LYS 29 3HE LYS 29 7.946 -5.714 -2.145 205 HZ1 LYS 29 1HZ LYS 29 8.875 -5.859 -4.131 206 HZ2 LYS 29 2HZ LYS 29 9.489 -7.392 -3.767 207 HZ3 LYS 29 3HZ LYS 29 10.409 -6.012 -3.435 208 H TRP 30 HN TRP 30 7.256 -1.259 1.051 209 HA TRP 30 HA TRP 30 9.003 0.270 -0.688 210 HB2 TRP 30 2HB TRP 30 6.154 0.560 0.221 211 HB3 TRP 30 3HB TRP 30 6.983 1.901 -0.563 212 HD1 TRP 30 1HD TRP 30 5.583 -1.586 -1.276 213 HE1 TRP 30 1HE TRP 30 5.425 -1.905 -3.825 214 HE3 TRP 30 3HE TRP 30 8.013 2.655 -2.777 215 HZ2 TRP 30 2HZ TRP 30 6.224 -0.540 -6.163 216 HZ3 TRP 30 3HZ TRP 30 8.274 3.073 -5.188 217 HH2 TRP 30 2HH TRP 30 7.398 1.507 -6.844 218 H SER 31 HN SER 31 8.633 2.833 -0.150 219 HA SER 31 HA SER 31 10.439 3.516 1.770 220 HB2 SER 31 2HB SER 31 9.800 5.726 1.458 221 HB3 SER 31 3HB SER 31 9.147 4.972 0.003 222 HG SER 31 HG SER 31 7.628 6.335 1.077 223 H ASP 32 HN ASP 32 10.475 3.882 3.930 224 HA ASP 32 HA ASP 32 8.723 2.566 5.623 225 HB2 ASP 32 2HB ASP 32 10.302 5.004 6.441 226 HB3 ASP 32 3HB ASP 32 9.852 3.621 7.433 227 H ARG 33 HN ARG 33 7.780 4.030 7.608 228 HA ARG 33 HA ARG 33 5.362 5.044 6.687 229 HB2 ARG 33 2HB ARG 33 6.643 4.674 9.203 230 HB3 ARG 33 3HB ARG 33 5.989 6.306 9.167 231 HG2 ARG 33 2HG ARG 33 4.510 3.715 8.817 232 HG3 ARG 33 3HG ARG 33 4.321 4.916 10.097 233 HD2 ARG 33 2HD ARG 33 3.892 6.334 7.751 234 HD3 ARG 33 3HD ARG 33 3.095 4.787 7.474 235 HE ARG 33 HE ARG 33 1.525 5.347 9.049 236 HH11 ARG 33 1HH1 ARG 33 4.228 7.527 9.284 237 HH12 ARG 33 2HH1 ARG 33 3.437 8.596 10.394 238 HH21 ARG 33 1HH2 ARG 33 0.472 6.747 10.510 239 HH22 ARG 33 2HH2 ARG 33 1.301 8.151 11.091 240 H HIS 34 HN HIS 34 5.803 6.511 4.998 241 HA HIS 34 HA HIS 34 6.938 9.093 5.838 242 HB2 HIS 34 2HB HIS 34 7.442 7.500 3.568 243 HB3 HIS 34 3HB HIS 34 6.537 8.896 2.992 244 HD2 HIS 34 2HD HIS 34 9.093 9.394 5.893 245 HE1 HIS 34 1HE HIS 34 10.692 11.142 2.374 246 HE2 HIS 34 2HE HIS 34 11.014 10.771 4.844 247 H ARG 35 HN ARG 35 4.074 7.498 4.901 248 HA ARG 35 HA ARG 35 1.919 8.207 4.708 249 HB2 ARG 35 2HB ARG 35 2.981 9.928 6.513 250 HB3 ARG 35 3HB ARG 35 2.507 11.053 5.247 251 HG2 ARG 35 2HG ARG 35 0.586 11.039 6.446 252 HG3 ARG 35 3HG ARG 35 0.250 9.671 5.384 253 HD2 ARG 35 2HD ARG 35 0.350 8.183 7.066 254 HD3 ARG 35 3HD ARG 35 1.725 8.987 7.824 255 HE ARG 35 HE ARG 35 0.268 10.099 9.192 256 HH11 ARG 35 1HH1 ARG 35 -1.492 8.781 6.493 257 HH12 ARG 35 2HH1 ARG 35 -3.046 9.195 7.137 258 HH21 ARG 35 1HH2 ARG 35 -1.772 10.650 10.050 259 HH22 ARG 35 2HH2 ARG 35 -3.204 10.259 9.159 260 H ASN 36 HN ASN 36 3.035 7.887 2.380 261 HA ASN 36 HA ASN 36 2.368 10.301 0.825 262 HB2 ASN 36 2HB ASN 36 3.966 9.529 -0.880 263 HB3 ASN 36 3HB ASN 36 4.755 9.783 0.674 264 HD21 ASN 36 1HD2 ASN 36 6.410 8.412 -0.285 265 HD22 ASN 36 2HD2 ASN 36 6.239 6.696 -0.174 266 H CYS 37 HN CYS 37 2.263 9.269 -1.684 267 HA CYS 37 HA CYS 37 0.593 6.915 -1.746 268 HB2 CYS 37 2HB CYS 37 -0.874 8.963 -1.139 269 HB3 CYS 37 3HB CYS 37 -0.636 9.442 -2.817 270 HA PRO 38 HA PRO 38 3.177 7.514 -5.506 271 HB2 PRO 38 2HB PRO 38 3.849 4.891 -5.716 272 HB3 PRO 38 3HB PRO 38 4.727 6.028 -4.686 273 HG2 PRO 38 2HG PRO 38 2.618 4.037 -3.943 274 HG3 PRO 38 3HG PRO 38 4.134 4.425 -3.109 275 HD2 PRO 38 2HD PRO 38 1.738 5.397 -2.305 276 HD3 PRO 38 3HD PRO 38 3.250 6.307 -2.113 277 H ILE 39 HN ILE 39 0.247 6.131 -4.773 278 HA ILE 39 HA ILE 39 -0.149 4.927 -7.409 279 HB ILE 39 HB ILE 39 -1.967 4.999 -4.999 280 HG12 ILE 39 2HG1 ILE 39 0.068 3.093 -6.020 281 HG13 ILE 39 3HG1 ILE 39 -0.424 3.436 -4.365 282 HG21 ILE 39 1HG2 ILE 39 -3.501 3.664 -6.165 283 HG22 ILE 39 2HG2 ILE 39 -3.057 4.935 -7.303 284 HG23 ILE 39 3HG2 ILE 39 -2.354 3.326 -7.461 285 HD11 ILE 39 1HD1 ILE 39 -1.193 1.300 -4.634 286 HD12 ILE 39 2HD1 ILE 39 -2.623 2.227 -5.086 287 HD13 ILE 39 3HD1 ILE 39 -1.588 1.538 -6.336 288 H CYS 40 HN CYS 40 -1.131 7.667 -5.466 289 HA CYS 40 HA CYS 40 -3.277 8.523 -7.109 290 HB2 CYS 40 2HB CYS 40 -1.836 9.509 -4.781 291 HB3 CYS 40 3HB CYS 40 -2.257 10.809 -5.891 292 H ARG 41 HN ARG 41 0.181 9.003 -7.209 293 HA ARG 41 HA ARG 41 0.645 11.193 -8.667 294 HB2 ARG 41 2HB ARG 41 1.766 8.466 -9.341 295 HB3 ARG 41 3HB ARG 41 2.466 10.008 -9.817 296 HG2 ARG 41 2HG ARG 41 2.044 9.254 -6.943 297 HG3 ARG 41 3HG ARG 41 3.512 8.841 -7.832 298 HD2 ARG 41 2HD ARG 41 4.050 11.122 -8.179 299 HD3 ARG 41 3HD ARG 41 2.456 11.651 -7.640 300 HE ARG 41 HE ARG 41 3.752 10.255 -5.561 301 HH11 ARG 41 1HH1 ARG 41 3.873 13.275 -7.289 302 HH12 ARG 41 2HH1 ARG 41 4.546 14.159 -5.959 303 HH21 ARG 41 1HH2 ARG 41 4.638 11.407 -3.803 304 HH22 ARG 41 2HH2 ARG 41 4.981 13.095 -3.978 305 H LEU 42 HN LEU 42 -0.646 8.173 -10.007 306 HA LEU 42 HA LEU 42 -1.321 9.641 -12.470 307 HB2 LEU 42 2HB LEU 42 -1.514 7.295 -13.448 308 HB3 LEU 42 3HB LEU 42 0.101 7.910 -13.107 309 HG LEU 42 HG LEU 42 -1.315 6.147 -11.139 310 HD11 LEU 42 1HD1 LEU 42 -1.381 4.983 -13.290 311 HD12 LEU 42 2HD1 LEU 42 -0.267 4.209 -12.164 312 HD13 LEU 42 3HD1 LEU 42 0.357 5.218 -13.469 313 HD21 LEU 42 1HD2 LEU 42 1.002 7.529 -10.969 314 HD22 LEU 42 2HD2 LEU 42 1.585 5.995 -11.616 315 HD23 LEU 42 3HD2 LEU 42 0.679 6.027 -10.102
Contact the webmaster for help, if required. Friday, July 5, 2024 8:24:11 AM GMT (wattos1)