NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
4695 | 1fjn | 4640 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -8.678 4.293 3.304 2 2H GLY 1 2H GLY 1 -7.643 3.365 2.325 3 3H GLY 1 3H GLY 1 -8.473 4.696 1.669 4 1HA GLY 1 2HA GLY 1 -7.154 6.248 2.752 5 2HA GLY 1 1HA GLY 1 -6.579 5.048 3.908 6 H PHE 2 H PHE 2 -4.657 6.489 2.698 7 HA PHE 2 HA PHE 2 -2.701 6.345 1.413 8 1HB PHE 2 2HB PHE 2 -3.364 3.386 1.363 9 2HB PHE 2 1HB PHE 2 -1.779 4.111 1.099 10 HD1 PHE 2 HD1 PHE 2 -3.976 2.711 3.517 11 HD2 PHE 2 HD2 PHE 2 -0.880 5.650 3.034 12 HE1 PHE 2 HE1 PHE 2 -3.555 2.668 5.960 13 HE2 PHE 2 HE2 PHE 2 -0.458 5.607 5.478 14 HZ PHE 2 HZ PHE 2 -1.796 4.116 6.941 15 H GLY 3 H GLY 3 -5.299 6.734 0.011 16 1HA GLY 3 2HA GLY 3 -5.970 6.992 -2.214 17 2HA GLY 3 1HA GLY 3 -4.360 6.465 -2.697 18 H CYS 4 H CYS 4 -7.050 4.849 -0.951 19 HA CYS 4 HA CYS 4 -6.724 2.545 -2.821 20 1HB CYS 4 2HB CYS 4 -7.613 2.772 0.041 21 2HB CYS 4 1HB CYS 4 -8.163 1.410 -0.933 22 HA PRO 5 HA PRO 5 -7.967 0.657 -2.858 23 1HB PRO 5 2HB PRO 5 -9.270 -0.554 -4.947 24 2HB PRO 5 1HB PRO 5 -9.873 -0.555 -3.281 25 1HG PRO 5 2HG PRO 5 -10.862 0.983 -5.628 26 2HG PRO 5 1HG PRO 5 -11.725 0.502 -4.159 27 1HD PRO 5 2HD PRO 5 -10.652 3.080 -4.727 28 2HD PRO 5 1HD PRO 5 -11.317 2.525 -3.176 29 H ASN 6 H ASN 6 -7.452 3.228 -4.647 30 HA ASN 6 HA ASN 6 -6.650 2.457 -7.246 31 1HB ASN 6 2HB ASN 6 -6.730 4.815 -6.162 32 2HB ASN 6 1HB ASN 6 -5.094 4.459 -5.614 33 1HD2 ASN 6 1HD2 ASN 6 -7.020 5.332 -8.396 34 2HD2 ASN 6 2HD2 ASN 6 -5.739 5.391 -9.508 35 H ASN 7 H ASN 7 -4.952 1.286 -8.012 36 HA ASN 7 HA ASN 7 -3.187 -0.097 -6.142 37 1HB ASN 7 2HB ASN 7 -3.437 -0.075 -9.157 38 2HB ASN 7 1HB ASN 7 -2.169 -0.979 -8.330 39 1HD2 ASN 7 1HD2 ASN 7 -2.934 -2.669 -6.718 40 2HD2 ASN 7 2HD2 ASN 7 -4.440 -3.409 -6.973 41 H TYR 8 H TYR 8 -2.835 2.521 -8.521 42 HA TYR 8 HA TYR 8 0.019 2.728 -8.388 43 1HB TYR 8 2HB TYR 8 -1.595 3.790 -10.096 44 2HB TYR 8 1HB TYR 8 -1.851 5.050 -8.890 45 HD1 TYR 8 HD1 TYR 8 -0.237 6.761 -8.528 46 HD2 TYR 8 HD2 TYR 8 0.751 3.345 -10.940 47 HE1 TYR 8 HE1 TYR 8 1.858 7.874 -9.248 48 HE2 TYR 8 HE2 TYR 8 2.847 4.458 -11.657 49 HH TYR 8 HH TYR 8 4.325 6.684 -10.236 50 H GLN 9 H GLN 9 -2.526 4.629 -6.721 51 HA GLN 9 HA GLN 9 -0.720 6.148 -5.104 52 1HB GLN 9 2HB GLN 9 -3.613 5.382 -4.612 53 2HB GLN 9 1HB GLN 9 -2.726 6.595 -3.688 54 1HG GLN 9 2HG GLN 9 -2.819 6.794 -6.687 55 2HG GLN 9 1HG GLN 9 -4.193 7.352 -5.735 56 1HE2 GLN 9 1HE2 GLN 9 -3.852 9.190 -4.279 57 2HE2 GLN 9 2HE2 GLN 9 -2.490 10.190 -4.433 58 H CYS 10 H CYS 10 -2.391 3.054 -4.514 59 HA CYS 10 HA CYS 10 -1.500 2.740 -1.799 60 1HB CYS 10 2HB CYS 10 -3.332 1.416 -3.019 61 2HB CYS 10 1HB CYS 10 -2.023 0.466 -3.721 62 H HIS 11 H HIS 11 -0.156 1.719 -4.930 63 HA HIS 11 HA HIS 11 2.084 0.277 -3.854 64 1HB HIS 11 2HB HIS 11 1.113 0.335 -6.291 65 2HB HIS 11 1HB HIS 11 2.193 1.713 -6.497 66 HD1 HIS 11 HD1 HIS 11 2.155 -1.868 -6.777 67 HD2 HIS 11 HD2 HIS 11 5.006 0.940 -5.614 68 HE1 HIS 11 HE1 HIS 11 4.407 -3.020 -6.944 69 H ARG 12 H ARG 12 1.583 3.675 -4.752 70 HA ARG 12 HA ARG 12 4.290 4.555 -4.502 71 1HB ARG 12 2HB ARG 12 2.170 5.806 -5.400 72 2HB ARG 12 1HB ARG 12 1.962 6.295 -3.718 73 1HG ARG 12 2HG ARG 12 4.209 7.265 -3.690 74 2HG ARG 12 1HG ARG 12 4.490 6.714 -5.341 75 1HD ARG 12 2HD ARG 12 3.362 8.462 -6.220 76 2HD ARG 12 1HD ARG 12 2.017 8.252 -5.099 77 HE ARG 12 HE ARG 12 3.585 9.463 -3.413 78 1HH1 ARG 12 1HH2 ARG 12 2.087 11.252 -5.339 79 2HH1 ARG 12 2HH2 ARG 12 3.356 12.271 -5.931 80 1HH2 ARG 12 2HH1 ARG 12 5.905 10.186 -4.818 81 2HH2 ARG 12 1HH1 ARG 12 5.526 11.665 -5.635 82 H HIS 13 H HIS 13 1.678 4.225 -2.105 83 HA HIS 13 HA HIS 13 3.083 5.420 0.094 84 1HB HIS 13 2HB HIS 13 0.687 5.102 0.245 85 2HB HIS 13 1HB HIS 13 0.853 3.364 0.002 86 HD1 HIS 13 HD1 HIS 13 2.319 5.914 2.457 87 HD2 HIS 13 HD2 HIS 13 0.736 2.058 2.416 88 HE1 HIS 13 HE1 HIS 13 2.377 5.090 4.852 89 H CYS 14 H CYS 14 2.825 2.050 -1.047 90 HA CYS 14 HA CYS 14 4.383 0.872 1.050 91 1HB CYS 14 2HB CYS 14 4.021 -0.036 -1.822 92 2HB CYS 14 1HB CYS 14 4.642 -1.032 -0.507 93 H LYS 15 H LYS 15 5.259 2.412 -2.009 94 HA LYS 15 HA LYS 15 8.011 1.610 -2.064 95 1HB LYS 15 2HB LYS 15 6.534 3.957 -3.274 96 2HB LYS 15 1HB LYS 15 8.256 3.684 -3.541 97 1HG LYS 15 2HG LYS 15 6.804 1.222 -3.953 98 2HG LYS 15 1HG LYS 15 6.099 2.503 -4.938 99 1HD LYS 15 2HD LYS 15 8.208 2.982 -5.982 100 2HD LYS 15 1HD LYS 15 9.076 1.959 -4.835 101 1HE LYS 15 2HE LYS 15 7.974 -0.032 -5.713 102 2HE LYS 15 1HE LYS 15 6.986 0.953 -6.790 103 1HZ LYS 15 1HZ LYS 15 8.925 -0.036 -7.899 104 2HZ LYS 15 2HZ LYS 15 9.954 0.830 -6.861 105 3HZ LYS 15 3HZ LYS 15 8.948 1.659 -7.952 106 H SER 16 H SER 16 6.403 4.511 -0.705 107 HA SER 16 HA SER 16 8.837 5.769 0.163 108 1HB SER 16 2HB SER 16 7.287 7.050 1.724 109 2HB SER 16 1HB SER 16 6.899 7.157 0.012 110 HG SER 16 HG SER 16 5.077 6.199 0.410 111 H ILE 17 H ILE 17 6.818 3.255 1.572 112 HA ILE 17 HA ILE 17 7.907 3.437 4.249 113 HB ILE 17 HB ILE 17 6.617 1.082 2.824 114 1HG1 ILE 17 2HG1 ILE 17 5.293 2.819 4.893 115 2HG1 ILE 17 1HG1 ILE 17 5.355 3.365 3.218 116 1HG2 ILE 17 1HG2 ILE 17 7.976 0.473 4.837 117 2HG2 ILE 17 2HG2 ILE 17 6.252 0.177 5.062 118 3HG2 ILE 17 3HG2 ILE 17 7.005 1.595 5.791 119 1HD1 ILE 17 1HD1 ILE 17 4.585 0.604 3.243 120 2HD1 ILE 17 2HD1 ILE 17 3.654 1.995 2.688 121 3HD1 ILE 17 3HD1 ILE 17 3.557 1.484 4.373 122 HA PRO 18 HA PRO 18 11.839 1.629 3.297 123 1HB PRO 18 2HB PRO 18 12.684 1.371 5.903 124 2HB PRO 18 1HB PRO 18 12.696 2.902 5.009 125 1HG PRO 18 2HG PRO 18 10.827 1.990 7.150 126 2HG PRO 18 1HG PRO 18 11.304 3.637 6.703 127 1HD PRO 18 2HD PRO 18 8.872 2.386 6.005 128 2HD PRO 18 1HD PRO 18 9.527 3.865 5.270 129 H GLY 19 H GLY 19 12.523 -0.471 3.020 130 1HA GLY 19 2HA GLY 19 12.777 -2.790 3.452 131 2HA GLY 19 1HA GLY 19 11.771 -2.606 4.889 132 H ARG 20 H ARG 20 10.897 -1.586 1.602 133 HA ARG 20 HA ARG 20 9.007 -3.854 1.360 134 1HB ARG 20 2HB ARG 20 8.258 -1.060 1.913 135 2HB ARG 20 1HB ARG 20 7.417 -1.771 0.539 136 1HG ARG 20 2HG ARG 20 6.012 -2.556 2.163 137 2HG ARG 20 1HG ARG 20 7.230 -3.822 2.299 138 1HD ARG 20 2HD ARG 20 8.020 -3.036 4.297 139 2HD ARG 20 1HD ARG 20 7.754 -1.350 3.856 140 HE ARG 20 HE ARG 20 5.392 -1.628 4.485 141 1HH1 ARG 20 2HH1 ARG 20 7.081 -2.535 6.870 142 2HH1 ARG 20 1HH1 ARG 20 6.260 -3.989 7.328 143 1HH2 ARG 20 1HH2 ARG 20 4.509 -4.253 4.334 144 2HH2 ARG 20 2HH2 ARG 20 4.804 -4.967 5.884 145 H CYS 21 H CYS 21 7.823 -3.627 -0.845 146 HA CYS 21 HA CYS 21 9.579 -2.367 -2.893 147 1HB CYS 21 2HB CYS 21 9.352 -5.189 -2.399 148 2HB CYS 21 1HB CYS 21 8.633 -4.828 -3.969 149 H GLY 22 H GLY 22 6.553 -4.250 -2.489 150 1HA GLY 22 2HA GLY 22 5.120 -2.131 -3.997 151 2HA GLY 22 1HA GLY 22 4.986 -3.793 -4.570 152 H GLY 23 H GLY 23 2.618 -2.809 -3.954 153 1HA GLY 23 2HA GLY 23 1.783 -4.364 -1.639 154 2HA GLY 23 1HA GLY 23 1.645 -2.631 -1.363 155 H TYR 24 H TYR 24 -0.692 -3.628 -1.175 156 HA TYR 24 HA TYR 24 -2.115 -2.847 -3.630 157 1HB TYR 24 2HB TYR 24 -3.351 -4.921 -3.863 158 2HB TYR 24 1HB TYR 24 -1.632 -5.307 -3.891 159 HD1 TYR 24 HD1 TYR 24 -4.776 -5.669 -2.084 160 HD2 TYR 24 HD2 TYR 24 -0.526 -6.260 -1.853 161 HE1 TYR 24 HE1 TYR 24 -5.091 -7.174 -0.140 162 HE2 TYR 24 HE2 TYR 24 -0.844 -7.765 0.092 163 HH TYR 24 HH TYR 24 -3.392 -9.274 0.851 164 H CYS 25 H CYS 25 -4.496 -2.690 -3.216 165 HA CYS 25 HA CYS 25 -4.990 -1.748 -0.464 166 1HB CYS 25 2HB CYS 25 -6.627 -1.657 -3.010 167 2HB CYS 25 1HB CYS 25 -7.237 -1.086 -1.457 168 H GLY 26 H GLY 26 -5.555 -3.294 0.996 169 1HA GLY 26 2HA GLY 26 -7.946 -4.855 0.695 170 2HA GLY 26 1HA GLY 26 -6.536 -5.881 0.430 171 H GLY 27 H GLY 27 -8.493 -5.910 2.661 172 1HA GLY 27 2HA GLY 27 -7.482 -6.821 4.848 173 2HA GLY 27 1HA GLY 27 -6.688 -5.250 4.954 174 H TRP 28 H TRP 28 -8.455 -3.402 4.464 175 HA TRP 28 HA TRP 28 -10.842 -3.992 6.164 176 1HB TRP 28 2HB TRP 28 -9.140 -2.596 7.345 177 2HB TRP 28 1HB TRP 28 -9.275 -1.395 6.064 178 HD1 TRP 28 HD1 TRP 28 -11.379 -3.040 8.836 179 HE1 TRP 28 HE1 TRP 28 -13.282 -1.428 9.479 180 HE3 TRP 28 HE3 TRP 28 -10.691 0.592 5.312 181 HZ2 TRP 28 HZ2 TRP 28 -14.369 1.071 8.617 182 HZ3 TRP 28 HZ3 TRP 28 -12.173 2.576 5.248 183 HH2 TRP 28 HH2 TRP 28 -14.011 2.819 6.893 184 H HIS 29 H HIS 29 -12.252 -4.268 4.419 185 HA HIS 29 HA HIS 29 -13.693 -3.642 2.691 186 1HB HIS 29 2HB HIS 29 -13.062 -0.852 3.707 187 2HB HIS 29 1HB HIS 29 -14.444 -1.300 2.712 188 HD1 HIS 29 HD1 HIS 29 -14.537 -0.160 5.725 189 HD2 HIS 29 HD2 HIS 29 -15.048 -4.130 4.570 190 HE1 HIS 29 HE1 HIS 29 -15.797 -1.296 7.606 191 H ARG 30 H ARG 30 -10.830 -3.924 2.083 192 HA ARG 30 HA ARG 30 -9.348 -3.548 0.310 193 1HB ARG 30 2HB ARG 30 -11.568 -4.032 -0.910 194 2HB ARG 30 1HB ARG 30 -11.677 -2.290 -1.146 195 1HG ARG 30 2HG ARG 30 -9.604 -2.248 -2.378 196 2HG ARG 30 1HG ARG 30 -9.264 -3.928 -1.965 197 1HD ARG 30 2HD ARG 30 -10.920 -4.755 -3.407 198 2HD ARG 30 1HD ARG 30 -11.793 -3.223 -3.439 199 HE ARG 30 HE ARG 30 -9.092 -3.172 -4.625 200 1HH1 ARG 30 2HH1 ARG 30 -11.853 -1.607 -5.037 201 2HH1 ARG 30 1HH1 ARG 30 -12.119 -1.989 -6.704 202 1HH2 ARG 30 1HH2 ARG 30 -9.704 -4.488 -6.789 203 2HH2 ARG 30 2HH2 ARG 30 -10.899 -3.627 -7.699 204 H LEU 31 H LEU 31 -9.831 -1.411 2.362 205 HA LEU 31 HA LEU 31 -9.055 0.980 0.749 206 1HB LEU 31 2HB LEU 31 -10.402 0.749 3.448 207 2HB LEU 31 1HB LEU 31 -9.749 2.265 2.828 208 HG LEU 31 HG LEU 31 -11.708 0.599 1.239 209 1HD1 LEU 31 1HD1 LEU 31 -13.470 2.125 2.069 210 2HD1 LEU 31 2HD1 LEU 31 -12.303 2.867 3.163 211 3HD1 LEU 31 3HD1 LEU 31 -12.767 1.179 3.381 212 1HD2 LEU 31 1HD2 LEU 31 -12.099 2.777 0.117 213 2HD2 LEU 31 2HD2 LEU 31 -10.406 2.295 0.012 214 3HD2 LEU 31 3HD2 LEU 31 -10.902 3.527 1.172 215 H ARG 32 H ARG 32 -7.922 -1.317 3.065 216 HA ARG 32 HA ARG 32 -5.829 0.447 4.145 217 1HB ARG 32 2HB ARG 32 -6.914 -1.354 5.527 218 2HB ARG 32 1HB ARG 32 -6.168 -2.552 4.471 219 1HG ARG 32 2HG ARG 32 -4.698 -2.344 6.339 220 2HG ARG 32 1HG ARG 32 -3.929 -1.446 5.033 221 1HD ARG 32 2HD ARG 32 -4.771 0.661 5.924 222 2HD ARG 32 1HD ARG 32 -5.681 -0.195 7.169 223 HE ARG 32 HE ARG 32 -2.743 -0.592 7.133 224 1HH1 ARG 32 1HH2 ARG 32 -4.722 -1.178 9.415 225 2HH1 ARG 32 2HH2 ARG 32 -4.343 0.108 10.510 226 1HH2 ARG 32 2HH1 ARG 32 -2.598 1.961 8.142 227 2HH2 ARG 32 1HH1 ARG 32 -3.134 1.892 9.788 228 H CYS 33 H CYS 33 -3.656 0.377 3.525 229 HA CYS 33 HA CYS 33 -3.106 -0.993 0.956 230 1HB CYS 33 2HB CYS 33 -1.927 1.306 2.436 231 2HB CYS 33 1HB CYS 33 -0.829 0.357 1.433 232 H THR 34 H THR 34 -2.394 -3.052 1.155 233 HA THR 34 HA THR 34 -0.694 -3.784 3.479 234 HB THR 34 HB THR 34 -2.077 -5.494 1.388 235 HG1 THR 34 HG1 THR 34 -3.677 -5.251 2.708 236 1HG2 THR 34 1HG2 THR 34 -1.426 -7.389 2.841 237 2HG2 THR 34 2HG2 THR 34 -0.516 -6.280 3.867 238 3HG2 THR 34 3HG2 THR 34 -0.011 -6.555 2.199 239 H CYS 35 H CYS 35 1.440 -3.482 3.116 240 HA CYS 35 HA CYS 35 2.530 -3.936 0.374 241 1HB CYS 35 2HB CYS 35 4.035 -2.637 2.640 242 2HB CYS 35 1HB CYS 35 4.284 -2.453 0.905 243 H TYR 36 H TYR 36 4.428 -5.248 0.127 244 HA TYR 36 HA TYR 36 4.912 -7.100 2.427 245 1HB TYR 36 2HB TYR 36 5.808 -8.601 0.427 246 2HB TYR 36 1HB TYR 36 4.095 -8.558 0.831 247 HD1 TYR 36 HD1 TYR 36 2.481 -7.605 -0.666 248 HD2 TYR 36 HD2 TYR 36 6.681 -7.231 -1.486 249 HE1 TYR 36 HE1 TYR 36 1.961 -6.784 -2.945 250 HE2 TYR 36 HE2 TYR 36 6.161 -6.410 -3.767 251 HH TYR 36 HH TYR 36 3.039 -5.435 -4.708 252 H ARG 37 H ARG 37 7.083 -7.785 2.815 253 HA ARG 37 HA ARG 37 9.082 -5.751 2.407 254 1HB ARG 37 2HB ARG 37 9.071 -8.507 3.580 255 2HB ARG 37 1HB ARG 37 10.612 -7.718 3.255 256 1HG ARG 37 2HG ARG 37 10.103 -5.894 4.698 257 2HG ARG 37 1HG ARG 37 8.402 -6.346 4.792 258 1HD ARG 37 2HD ARG 37 9.289 -8.576 5.802 259 2HD ARG 37 1HD ARG 37 10.777 -7.671 6.084 260 HE ARG 37 HE ARG 37 9.203 -6.004 7.316 261 1HH1 ARG 37 2HH1 ARG 37 6.887 -7.999 6.756 262 2HH1 ARG 37 1HH1 ARG 37 6.749 -8.754 8.309 263 1HH2 ARG 37 1HH2 ARG 37 9.807 -7.557 9.450 264 2HH2 ARG 37 2HH2 ARG 37 8.406 -8.495 9.843 265 H CYS 38 H CYS 38 10.810 -5.697 0.985 266 HA CYS 38 HA CYS 38 10.551 -7.299 -1.458 267 1HB CYS 38 2HB CYS 38 11.287 -4.766 -1.157 268 2HB CYS 38 1HB CYS 38 12.885 -5.486 -0.967 269 H GLY 39 HN GLY 39 11.736 -9.092 -1.936 270 1HA GLY 39 2HA GLY 39 13.706 -10.046 0.052 271 2HA GLY 39 1HA GLY 39 13.022 -11.001 -1.263 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -7.463 3.536 2.256 2 2H GLY 1 2H GLY 1 -8.220 4.687 1.259 3 3H GLY 1 3H GLY 1 -8.612 4.600 2.910 4 1HA GLY 1 2HA GLY 1 -7.116 6.483 2.299 5 2HA GLY 1 1HA GLY 1 -6.505 5.421 3.565 6 H PHE 2 H PHE 2 -4.644 6.868 2.265 7 HA PHE 2 HA PHE 2 -2.628 6.711 1.082 8 1HB PHE 2 2HB PHE 2 -3.122 3.723 1.050 9 2HB PHE 2 1HB PHE 2 -1.572 4.560 0.995 10 HD1 PHE 2 HD1 PHE 2 -1.197 6.268 3.040 11 HD2 PHE 2 HD2 PHE 2 -3.806 2.857 3.097 12 HE1 PHE 2 HE1 PHE 2 -1.094 6.231 5.518 13 HE2 PHE 2 HE2 PHE 2 -3.703 2.819 5.575 14 HZ PHE 2 HZ PHE 2 -2.347 4.507 6.784 15 H GLY 3 H GLY 3 -5.179 6.963 -0.407 16 1HA GLY 3 2HA GLY 3 -5.754 7.145 -2.668 17 2HA GLY 3 1HA GLY 3 -4.146 6.549 -3.075 18 H CYS 4 H CYS 4 -6.831 5.046 -1.237 19 HA CYS 4 HA CYS 4 -6.563 2.657 -3.003 20 1HB CYS 4 2HB CYS 4 -7.461 3.064 -0.169 21 2HB CYS 4 1HB CYS 4 -8.090 1.687 -1.071 22 HA PRO 5 HA PRO 5 -7.835 0.810 -2.991 23 1HB PRO 5 2HB PRO 5 -9.111 -0.466 -5.059 24 2HB PRO 5 1HB PRO 5 -9.750 -0.390 -3.408 25 1HG PRO 5 2HG PRO 5 -10.662 1.067 -5.836 26 2HG PRO 5 1HG PRO 5 -11.565 0.659 -4.368 27 1HD PRO 5 2HD PRO 5 -10.440 3.195 -5.014 28 2HD PRO 5 1HD PRO 5 -11.145 2.712 -3.456 29 H ASN 6 H ASN 6 -7.339 3.304 -4.959 30 HA ASN 6 HA ASN 6 -6.442 2.363 -7.462 31 1HB ASN 6 2HB ASN 6 -6.574 4.791 -6.551 32 2HB ASN 6 1HB ASN 6 -4.949 4.492 -5.938 33 1HD2 ASN 6 1HD2 ASN 6 -6.702 5.460 -8.713 34 2HD2 ASN 6 2HD2 ASN 6 -5.441 5.322 -9.842 35 H ASN 7 H ASN 7 -4.815 1.016 -8.023 36 HA ASN 7 HA ASN 7 -3.038 -0.086 -5.993 37 1HB ASN 7 2HB ASN 7 -3.294 -0.508 -8.978 38 2HB ASN 7 1HB ASN 7 -2.072 -1.327 -8.003 39 1HD2 ASN 7 1HD2 ASN 7 -2.757 -3.362 -7.317 40 2HD2 ASN 7 2HD2 ASN 7 -4.364 -3.789 -6.981 41 H TYR 8 H TYR 8 -2.721 2.266 -8.624 42 HA TYR 8 HA TYR 8 0.153 2.416 -8.575 43 1HB TYR 8 2HB TYR 8 -1.465 3.343 -10.363 44 2HB TYR 8 1HB TYR 8 -1.685 4.714 -9.278 45 HD1 TYR 8 HD1 TYR 8 0.827 2.803 -11.241 46 HD2 TYR 8 HD2 TYR 8 0.002 6.394 -9.032 47 HE1 TYR 8 HE1 TYR 8 2.938 3.801 -12.074 48 HE2 TYR 8 HE2 TYR 8 2.113 7.391 -9.866 49 HH TYR 8 HH TYR 8 4.485 6.174 -10.780 50 H GLN 9 H GLN 9 -2.368 4.468 -7.070 51 HA GLN 9 HA GLN 9 -0.553 6.106 -5.577 52 1HB GLN 9 2HB GLN 9 -3.481 5.441 -5.309 53 2HB GLN 9 1HB GLN 9 -2.668 6.413 -4.083 54 1HG GLN 9 2HG GLN 9 -2.143 7.220 -6.884 55 2HG GLN 9 1HG GLN 9 -3.799 7.461 -6.326 56 1HE2 GLN 9 1HE2 GLN 9 -0.403 8.332 -5.633 57 2HE2 GLN 9 2HE2 GLN 9 -0.778 9.686 -4.681 58 H CYS 10 H CYS 10 -2.352 3.149 -4.717 59 HA CYS 10 HA CYS 10 -1.473 2.956 -2.011 60 1HB CYS 10 2HB CYS 10 -3.296 1.584 -3.125 61 2HB CYS 10 1HB CYS 10 -2.018 0.624 -3.865 62 H HIS 11 H HIS 11 -0.093 1.667 -5.033 63 HA HIS 11 HA HIS 11 2.088 0.242 -3.881 64 1HB HIS 11 2HB HIS 11 1.377 0.052 -6.267 65 2HB HIS 11 1HB HIS 11 2.012 1.670 -6.559 66 HD1 HIS 11 HD1 HIS 11 3.026 -1.861 -6.304 67 HD2 HIS 11 HD2 HIS 11 4.926 1.848 -6.195 68 HE1 HIS 11 HE1 HIS 11 5.497 -2.312 -6.627 69 H ARG 12 H ARG 12 1.857 3.621 -5.020 70 HA ARG 12 HA ARG 12 4.556 4.368 -4.522 71 1HB ARG 12 2HB ARG 12 2.424 5.642 -5.592 72 2HB ARG 12 1HB ARG 12 2.449 6.400 -4.000 73 1HG ARG 12 2HG ARG 12 5.121 6.170 -5.185 74 2HG ARG 12 1HG ARG 12 4.022 7.140 -6.165 75 1HD ARG 12 2HD ARG 12 4.435 7.546 -3.189 76 2HD ARG 12 1HD ARG 12 5.275 8.470 -4.434 77 HE ARG 12 HE ARG 12 2.707 8.900 -5.162 78 1HH1 ARG 12 1HH2 ARG 12 2.091 7.984 -2.271 79 2HH1 ARG 12 2HH2 ARG 12 1.949 9.521 -1.482 80 1HH2 ARG 12 2HH1 ARG 12 3.454 11.284 -4.072 81 2HH2 ARG 12 1HH1 ARG 12 2.728 11.395 -2.505 82 H HIS 13 H HIS 13 1.703 4.449 -2.373 83 HA HIS 13 HA HIS 13 2.965 5.689 -0.134 84 1HB HIS 13 2HB HIS 13 0.568 5.487 -0.142 85 2HB HIS 13 1HB HIS 13 0.654 3.736 -0.321 86 HD1 HIS 13 HD1 HIS 13 1.985 6.312 2.181 87 HD2 HIS 13 HD2 HIS 13 0.335 2.486 2.108 88 HE1 HIS 13 HE1 HIS 13 1.827 5.555 4.591 89 H CYS 14 H CYS 14 2.746 2.272 -1.118 90 HA CYS 14 HA CYS 14 4.054 1.221 1.224 91 1HB CYS 14 2HB CYS 14 3.586 0.156 -1.561 92 2HB CYS 14 1HB CYS 14 4.507 -0.760 -0.367 93 H LYS 15 H LYS 15 5.217 2.544 -1.830 94 HA LYS 15 HA LYS 15 7.930 1.628 -1.622 95 1HB LYS 15 2HB LYS 15 6.594 3.889 -3.111 96 2HB LYS 15 1HB LYS 15 8.345 3.680 -3.154 97 1HG LYS 15 2HG LYS 15 6.474 1.391 -3.770 98 2HG LYS 15 1HG LYS 15 6.973 2.531 -5.019 99 1HD LYS 15 2HD LYS 15 9.378 1.936 -3.848 100 2HD LYS 15 1HD LYS 15 8.526 0.402 -3.688 101 1HE LYS 15 2HE LYS 15 9.435 0.150 -5.809 102 2HE LYS 15 1HE LYS 15 7.877 0.867 -6.216 103 1HZ LYS 15 1HZ LYS 15 9.562 2.051 -7.378 104 2HZ LYS 15 2HZ LYS 15 10.483 2.266 -5.967 105 3HZ LYS 15 3HZ LYS 15 8.995 3.067 -6.145 106 H SER 16 H SER 16 6.314 4.652 -0.563 107 HA SER 16 HA SER 16 8.680 5.909 0.453 108 1HB SER 16 2HB SER 16 6.957 7.119 1.988 109 2HB SER 16 1HB SER 16 6.853 7.372 0.251 110 HG SER 16 HG SER 16 5.297 5.648 1.883 111 H ILE 17 H ILE 17 6.577 3.419 1.764 112 HA ILE 17 HA ILE 17 7.644 3.601 4.480 113 HB ILE 17 HB ILE 17 6.077 1.374 3.132 114 1HG1 ILE 17 2HG1 ILE 17 4.998 3.387 5.102 115 2HG1 ILE 17 1HG1 ILE 17 5.049 3.760 3.379 116 1HG2 ILE 17 1HG2 ILE 17 7.415 0.790 5.219 117 2HG2 ILE 17 2HG2 ILE 17 5.675 0.523 5.339 118 3HG2 ILE 17 3HG2 ILE 17 6.402 1.945 6.088 119 1HD1 ILE 17 1HD1 ILE 17 2.969 2.481 4.567 120 2HD1 ILE 17 2HD1 ILE 17 3.947 1.100 4.074 121 3HD1 ILE 17 3HD1 ILE 17 3.400 2.267 2.871 122 HA PRO 18 HA PRO 18 11.322 1.344 3.456 123 1HB PRO 18 2HB PRO 18 12.250 1.119 6.037 124 2HB PRO 18 1HB PRO 18 12.388 2.592 5.061 125 1HG PRO 18 2HG PRO 18 10.530 2.004 7.321 126 2HG PRO 18 1HG PRO 18 11.163 3.563 6.764 127 1HD PRO 18 2HD PRO 18 8.580 2.551 6.234 128 2HD PRO 18 1HD PRO 18 9.354 3.913 5.396 129 H GLY 19 H GLY 19 11.916 -0.816 3.384 130 1HA GLY 19 2HA GLY 19 12.005 -3.100 4.080 131 2HA GLY 19 1HA GLY 19 10.789 -2.753 5.306 132 H ARG 20 H ARG 20 10.042 -1.570 2.135 133 HA ARG 20 HA ARG 20 8.476 -4.012 1.482 134 1HB ARG 20 2HB ARG 20 7.114 -1.356 1.183 135 2HB ARG 20 1HB ARG 20 6.405 -2.955 1.383 136 1HG ARG 20 2HG ARG 20 8.016 -1.780 3.632 137 2HG ARG 20 1HG ARG 20 6.361 -1.234 3.380 138 1HD ARG 20 2HD ARG 20 6.059 -3.950 3.179 139 2HD ARG 20 1HD ARG 20 7.351 -3.831 4.374 140 HE ARG 20 HE ARG 20 4.589 -2.797 4.703 141 1HH1 ARG 20 1HH2 ARG 20 7.110 -1.201 5.782 142 2HH1 ARG 20 2HH2 ARG 20 7.033 -1.664 7.447 143 1HH2 ARG 20 2HH1 ARG 20 4.792 -4.263 6.894 144 2HH2 ARG 20 1HH1 ARG 20 5.716 -3.403 8.080 145 H CYS 21 H CYS 21 8.143 -4.292 -0.748 146 HA CYS 21 HA CYS 21 9.686 -2.430 -2.490 147 1HB CYS 21 2HB CYS 21 9.503 -5.251 -2.382 148 2HB CYS 21 1HB CYS 21 8.699 -4.764 -3.875 149 H GLY 22 H GLY 22 6.550 -4.142 -2.371 150 1HA GLY 22 2HA GLY 22 5.364 -1.897 -3.930 151 2HA GLY 22 1HA GLY 22 5.054 -3.558 -4.433 152 H GLY 23 H GLY 23 2.753 -2.645 -3.978 153 1HA GLY 23 2HA GLY 23 1.813 -3.828 -1.513 154 2HA GLY 23 1HA GLY 23 1.763 -2.072 -1.419 155 H TYR 24 H TYR 24 -0.567 -3.535 -1.244 156 HA TYR 24 HA TYR 24 -2.003 -2.650 -3.690 157 1HB TYR 24 2HB TYR 24 -3.206 -4.743 -3.900 158 2HB TYR 24 1HB TYR 24 -1.483 -5.115 -3.895 159 HD1 TYR 24 HD1 TYR 24 -4.650 -5.450 -2.109 160 HD2 TYR 24 HD2 TYR 24 -0.402 -6.030 -1.833 161 HE1 TYR 24 HE1 TYR 24 -4.977 -6.913 -0.135 162 HE2 TYR 24 HE2 TYR 24 -0.732 -7.494 0.142 163 HH TYR 24 HH TYR 24 -3.343 -7.553 1.964 164 H CYS 25 H CYS 25 -4.410 -2.576 -3.277 165 HA CYS 25 HA CYS 25 -4.914 -1.595 -0.535 166 1HB CYS 25 2HB CYS 25 -6.565 -1.548 -3.076 167 2HB CYS 25 1HB CYS 25 -7.160 -0.955 -1.526 168 H GLY 26 H GLY 26 -5.453 -3.162 0.928 169 1HA GLY 26 2HA GLY 26 -7.784 -4.832 0.508 170 2HA GLY 26 1HA GLY 26 -6.297 -5.773 0.425 171 H GLY 27 H GLY 27 -8.508 -5.729 2.462 172 1HA GLY 27 2HA GLY 27 -7.737 -6.536 4.769 173 2HA GLY 27 1HA GLY 27 -6.898 -4.989 4.873 174 H TRP 28 H TRP 28 -8.151 -3.063 5.083 175 HA TRP 28 HA TRP 28 -10.761 -3.504 6.379 176 1HB TRP 28 2HB TRP 28 -9.028 -1.964 7.353 177 2HB TRP 28 1HB TRP 28 -9.257 -0.903 5.965 178 HD1 TRP 28 HD1 TRP 28 -11.219 -2.363 8.943 179 HE1 TRP 28 HE1 TRP 28 -13.153 -0.759 9.504 180 HE3 TRP 28 HE3 TRP 28 -10.741 0.975 5.107 181 HZ2 TRP 28 HZ2 TRP 28 -14.342 1.625 8.468 182 HZ3 TRP 28 HZ3 TRP 28 -12.286 2.902 4.921 183 HH2 TRP 28 HH2 TRP 28 -14.087 3.230 6.593 184 H HIS 29 H HIS 29 -12.153 -4.005 4.665 185 HA HIS 29 HA HIS 29 -13.610 -3.592 2.887 186 1HB HIS 29 2HB HIS 29 -13.052 -0.691 3.579 187 2HB HIS 29 1HB HIS 29 -14.450 -1.303 2.702 188 HD1 HIS 29 HD1 HIS 29 -14.502 0.195 5.545 189 HD2 HIS 29 HD2 HIS 29 -14.852 -3.909 4.923 190 HE1 HIS 29 HE1 HIS 29 -15.649 -0.744 7.598 191 H ARG 30 H ARG 30 -10.709 -3.814 2.329 192 HA ARG 30 HA ARG 30 -9.257 -3.595 0.508 193 1HB ARG 30 2HB ARG 30 -11.397 -4.279 -0.685 194 2HB ARG 30 1HB ARG 30 -11.672 -2.567 -1.004 195 1HG ARG 30 2HG ARG 30 -9.931 -2.421 -2.508 196 2HG ARG 30 1HG ARG 30 -8.988 -3.670 -1.696 197 1HD ARG 30 2HD ARG 30 -11.563 -4.358 -3.104 198 2HD ARG 30 1HD ARG 30 -10.049 -4.241 -3.999 199 HE ARG 30 HE ARG 30 -10.808 -6.479 -2.443 200 1HH1 ARG 30 1HH2 ARG 30 -8.255 -5.729 -4.216 201 2HH1 ARG 30 2HH2 ARG 30 -7.017 -6.240 -3.118 202 1HH2 ARG 30 2HH1 ARG 30 -9.173 -6.534 -0.407 203 2HH2 ARG 30 1HH1 ARG 30 -7.539 -6.702 -0.958 204 H LEU 31 H LEU 31 -9.803 -1.276 2.353 205 HA LEU 31 HA LEU 31 -9.061 0.964 0.523 206 1HB LEU 31 2HB LEU 31 -10.307 1.035 3.285 207 2HB LEU 31 1HB LEU 31 -9.835 2.460 2.361 208 HG LEU 31 HG LEU 31 -11.678 0.408 1.151 209 1HD1 LEU 31 1HD1 LEU 31 -13.597 1.675 1.992 210 2HD1 LEU 31 2HD1 LEU 31 -12.519 2.769 2.859 211 3HD1 LEU 31 3HD1 LEU 31 -12.637 1.079 3.346 212 1HD2 LEU 31 1HD2 LEU 31 -11.235 3.387 0.776 213 2HD2 LEU 31 2HD2 LEU 31 -12.464 2.447 -0.072 214 3HD2 LEU 31 3HD2 LEU 31 -10.754 2.105 -0.336 215 H ARG 32 H ARG 32 -7.801 -1.145 2.902 216 HA ARG 32 HA ARG 32 -5.785 0.783 3.877 217 1HB ARG 32 2HB ARG 32 -6.926 -1.093 5.281 218 2HB ARG 32 1HB ARG 32 -5.788 -2.172 4.474 219 1HG ARG 32 2HG ARG 32 -3.926 -0.651 5.226 220 2HG ARG 32 1HG ARG 32 -5.112 0.244 6.176 221 1HD ARG 32 2HD ARG 32 -4.841 -2.742 6.480 222 2HD ARG 32 1HD ARG 32 -3.769 -1.648 7.353 223 HE ARG 32 HE ARG 32 -6.622 -1.026 7.652 224 1HH1 ARG 32 1HH2 ARG 32 -5.826 -3.882 8.602 225 2HH1 ARG 32 2HH2 ARG 32 -5.570 -3.582 10.289 226 1HH2 ARG 32 2HH1 ARG 32 -5.437 -0.127 9.920 227 2HH2 ARG 32 1HH1 ARG 32 -5.349 -1.446 11.037 228 H CYS 33 H CYS 33 -3.570 0.632 3.367 229 HA CYS 33 HA CYS 33 -2.978 -0.846 0.866 230 1HB CYS 33 2HB CYS 33 -1.786 1.498 2.284 231 2HB CYS 33 1HB CYS 33 -0.725 0.528 1.263 232 H THR 34 H THR 34 -2.340 -2.922 1.244 233 HA THR 34 HA THR 34 -0.614 -3.523 3.584 234 HB THR 34 HB THR 34 -1.983 -5.352 1.583 235 HG1 THR 34 HG1 THR 34 -2.541 -4.824 4.316 236 1HG2 THR 34 1HG2 THR 34 -0.057 -6.506 2.401 237 2HG2 THR 34 2HG2 THR 34 -1.415 -7.098 3.358 238 3HG2 THR 34 3HG2 THR 34 -0.308 -5.906 4.040 239 H CYS 35 H CYS 35 1.545 -3.345 3.227 240 HA CYS 35 HA CYS 35 2.601 -3.724 0.473 241 1HB CYS 35 2HB CYS 35 4.264 -2.820 2.807 242 2HB CYS 35 1HB CYS 35 4.446 -2.430 1.100 243 H TYR 36 H TYR 36 4.632 -4.979 0.215 244 HA TYR 36 HA TYR 36 4.933 -7.138 2.259 245 1HB TYR 36 2HB TYR 36 5.468 -8.618 0.167 246 2HB TYR 36 1HB TYR 36 3.787 -8.309 0.590 247 HD1 TYR 36 HD1 TYR 36 6.546 -7.370 -1.707 248 HD2 TYR 36 HD2 TYR 36 2.363 -6.958 -0.811 249 HE1 TYR 36 HE1 TYR 36 6.168 -6.347 -3.935 250 HE2 TYR 36 HE2 TYR 36 1.987 -5.935 -3.037 251 HH TYR 36 HH TYR 36 3.510 -6.185 -5.457 252 H ARG 37 H ARG 37 7.050 -8.151 2.293 253 HA ARG 37 HA ARG 37 9.232 -6.301 2.012 254 1HB ARG 37 2HB ARG 37 9.211 -9.309 2.406 255 2HB ARG 37 1HB ARG 37 10.656 -8.306 2.516 256 1HG ARG 37 2HG ARG 37 8.519 -7.183 4.122 257 2HG ARG 37 1HG ARG 37 8.822 -8.858 4.581 258 1HD ARG 37 2HD ARG 37 11.377 -7.836 4.268 259 2HD ARG 37 1HD ARG 37 10.496 -6.483 4.980 260 HE ARG 37 HE ARG 37 10.605 -9.203 6.233 261 1HH1 ARG 37 2HH1 ARG 37 12.529 -7.271 7.327 262 2HH1 ARG 37 1HH1 ARG 37 11.648 -6.516 8.612 263 1HH2 ARG 37 1HH2 ARG 37 8.546 -7.585 7.465 264 2HH2 ARG 37 2HH2 ARG 37 9.385 -6.696 8.691 265 H CYS 38 H CYS 38 11.121 -6.568 0.614 266 HA CYS 38 HA CYS 38 10.335 -7.323 -2.132 267 1HB CYS 38 2HB CYS 38 11.675 -5.181 -1.328 268 2HB CYS 38 1HB CYS 38 13.056 -6.269 -1.458 269 H GLY 39 HN GLY 39 10.880 -9.256 -2.987 270 1HA GLY 39 2HA GLY 39 12.756 -11.016 -1.533 271 2HA GLY 39 1HA GLY 39 11.704 -11.501 -2.863 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -8.176 4.566 1.369 2 2H GLY 1 2H GLY 1 -8.483 4.449 3.035 3 3H GLY 1 3H GLY 1 -7.357 3.408 2.301 4 1HA GLY 1 2HA GLY 1 -7.017 6.353 2.325 5 2HA GLY 1 1HA GLY 1 -6.394 5.320 3.610 6 H PHE 2 H PHE 2 -4.494 6.674 2.347 7 HA PHE 2 HA PHE 2 -2.488 6.477 1.153 8 1HB PHE 2 2HB PHE 2 -3.077 3.510 1.060 9 2HB PHE 2 1HB PHE 2 -1.502 4.296 1.021 10 HD1 PHE 2 HD1 PHE 2 -3.820 2.646 3.090 11 HD2 PHE 2 HD2 PHE 2 -1.033 5.915 3.105 12 HE1 PHE 2 HE1 PHE 2 -3.713 2.543 5.565 13 HE2 PHE 2 HE2 PHE 2 -0.928 5.812 5.581 14 HZ PHE 2 HZ PHE 2 -2.268 4.125 6.810 15 H GLY 3 H GLY 3 -5.024 6.847 -0.328 16 1HA GLY 3 2HA GLY 3 -5.609 7.078 -2.582 17 2HA GLY 3 1HA GLY 3 -4.020 6.445 -3.006 18 H CYS 4 H CYS 4 -6.635 4.912 -1.110 19 HA CYS 4 HA CYS 4 -6.499 2.595 -2.980 20 1HB CYS 4 2HB CYS 4 -7.285 2.916 -0.099 21 2HB CYS 4 1HB CYS 4 -7.946 1.569 -1.024 22 HA PRO 5 HA PRO 5 -7.856 0.738 -2.852 23 1HB PRO 5 2HB PRO 5 -9.249 -0.504 -4.864 24 2HB PRO 5 1HB PRO 5 -9.825 -0.397 -3.192 25 1HG PRO 5 2HG PRO 5 -10.769 1.084 -5.596 26 2HG PRO 5 1HG PRO 5 -11.636 0.707 -4.098 27 1HD PRO 5 2HD PRO 5 -10.459 3.205 -4.783 28 2HD PRO 5 1HD PRO 5 -11.110 2.741 -3.198 29 H ASN 6 H ASN 6 -7.380 3.205 -4.878 30 HA ASN 6 HA ASN 6 -6.557 2.156 -7.379 31 1HB ASN 6 2HB ASN 6 -6.722 4.626 -6.564 32 2HB ASN 6 1HB ASN 6 -5.061 4.390 -6.018 33 1HD2 ASN 6 1HD2 ASN 6 -6.976 5.169 -8.752 34 2HD2 ASN 6 2HD2 ASN 6 -5.765 5.010 -9.930 35 H ASN 7 H ASN 7 -4.892 0.844 -7.931 36 HA ASN 7 HA ASN 7 -3.043 -0.134 -5.902 37 1HB ASN 7 2HB ASN 7 -3.513 -0.706 -8.814 38 2HB ASN 7 1HB ASN 7 -2.038 -1.285 -8.038 39 1HD2 ASN 7 1HD2 ASN 7 -2.395 -2.623 -5.974 40 2HD2 ASN 7 2HD2 ASN 7 -3.787 -3.589 -5.890 41 H TYR 8 H TYR 8 -2.875 2.197 -8.552 42 HA TYR 8 HA TYR 8 -0.012 2.428 -8.644 43 1HB TYR 8 2HB TYR 8 -1.574 3.327 -10.395 44 2HB TYR 8 1HB TYR 8 -2.073 4.574 -9.253 45 HD1 TYR 8 HD1 TYR 8 -0.727 6.501 -8.853 46 HD2 TYR 8 HD2 TYR 8 0.840 3.214 -11.133 47 HE1 TYR 8 HE1 TYR 8 1.222 7.885 -9.507 48 HE2 TYR 8 HE2 TYR 8 2.790 4.599 -11.786 49 HH TYR 8 HH TYR 8 3.681 7.365 -10.257 50 H GLN 9 H GLN 9 -2.501 4.372 -6.950 51 HA GLN 9 HA GLN 9 -0.602 5.994 -5.517 52 1HB GLN 9 2HB GLN 9 -3.510 5.334 -4.973 53 2HB GLN 9 1HB GLN 9 -2.580 6.498 -4.029 54 1HG GLN 9 2HG GLN 9 -2.428 6.861 -6.962 55 2HG GLN 9 1HG GLN 9 -4.016 7.156 -6.255 56 1HE2 GLN 9 1HE2 GLN 9 -4.191 9.394 -5.949 57 2HE2 GLN 9 2HE2 GLN 9 -2.987 10.372 -5.261 58 H CYS 10 H CYS 10 -2.340 2.984 -4.729 59 HA CYS 10 HA CYS 10 -1.453 2.732 -2.028 60 1HB CYS 10 2HB CYS 10 -3.214 1.322 -3.261 61 2HB CYS 10 1HB CYS 10 -1.859 0.399 -3.908 62 H HIS 11 H HIS 11 -0.028 1.646 -5.101 63 HA HIS 11 HA HIS 11 2.239 0.296 -4.002 64 1HB HIS 11 2HB HIS 11 1.603 0.007 -6.345 65 2HB HIS 11 1HB HIS 11 1.875 1.718 -6.659 66 HD1 HIS 11 HD1 HIS 11 4.168 -0.558 -4.664 67 HD2 HIS 11 HD2 HIS 11 4.147 1.531 -8.268 68 HE1 HIS 11 HE1 HIS 11 6.502 -0.764 -5.619 69 H ARG 12 H ARG 12 1.709 3.679 -4.968 70 HA ARG 12 HA ARG 12 4.358 4.640 -4.565 71 1HB ARG 12 2HB ARG 12 2.292 5.836 -5.590 72 2HB ARG 12 1HB ARG 12 1.901 6.274 -3.928 73 1HG ARG 12 2HG ARG 12 3.916 7.507 -3.663 74 2HG ARG 12 1HG ARG 12 4.634 6.794 -5.107 75 1HD ARG 12 2HD ARG 12 3.807 8.472 -6.353 76 2HD ARG 12 1HD ARG 12 2.170 8.025 -5.872 77 HE ARG 12 HE ARG 12 2.205 9.775 -4.263 78 1HH1 ARG 12 2HH1 ARG 12 4.132 10.914 -6.433 79 2HH1 ARG 12 1HH1 ARG 12 5.377 11.564 -5.418 80 1HH2 ARG 12 1HH2 ARG 12 4.315 9.855 -2.581 81 2HH2 ARG 12 2HH2 ARG 12 5.483 10.958 -3.228 82 H HIS 13 H HIS 13 1.631 4.300 -2.290 83 HA HIS 13 HA HIS 13 2.947 5.503 -0.038 84 1HB HIS 13 2HB HIS 13 0.541 5.221 -0.001 85 2HB HIS 13 1HB HIS 13 0.695 3.476 -0.204 86 HD1 HIS 13 HD1 HIS 13 2.129 6.036 2.259 87 HD2 HIS 13 HD2 HIS 13 0.417 2.237 2.234 88 HE1 HIS 13 HE1 HIS 13 2.070 5.260 4.670 89 H CYS 14 H CYS 14 2.665 2.105 -1.116 90 HA CYS 14 HA CYS 14 4.079 0.930 1.065 91 1HB CYS 14 2HB CYS 14 3.787 0.054 -1.818 92 2HB CYS 14 1HB CYS 14 4.536 -0.941 -0.569 93 H LYS 15 H LYS 15 5.227 2.389 -1.962 94 HA LYS 15 HA LYS 15 7.979 1.605 -1.668 95 1HB LYS 15 2HB LYS 15 6.557 3.750 -3.236 96 2HB LYS 15 1HB LYS 15 8.320 3.699 -3.188 97 1HG LYS 15 2HG LYS 15 8.119 1.233 -3.855 98 2HG LYS 15 1HG LYS 15 6.427 1.575 -4.215 99 1HD LYS 15 2HD LYS 15 8.662 3.242 -5.377 100 2HD LYS 15 1HD LYS 15 8.099 1.769 -6.166 101 1HE LYS 15 2HE LYS 15 6.274 2.814 -6.975 102 2HE LYS 15 1HE LYS 15 5.854 3.431 -5.377 103 1HZ LYS 15 1HZ LYS 15 7.564 4.655 -7.445 104 2HZ LYS 15 2HZ LYS 15 7.756 5.083 -5.810 105 3HZ LYS 15 3HZ LYS 15 6.267 5.337 -6.590 106 H SER 16 H SER 16 6.096 4.385 -0.508 107 HA SER 16 HA SER 16 8.329 5.900 0.481 108 1HB SER 16 2HB SER 16 6.728 7.273 1.566 109 2HB SER 16 1HB SER 16 5.898 6.690 0.131 110 HG SER 16 HG SER 16 5.019 5.012 1.512 111 H ILE 17 H ILE 17 6.524 3.169 1.747 112 HA ILE 17 HA ILE 17 7.576 3.400 4.462 113 HB ILE 17 HB ILE 17 6.278 1.028 3.074 114 1HG1 ILE 17 2HG1 ILE 17 4.911 2.841 5.046 115 2HG1 ILE 17 1HG1 ILE 17 4.999 3.315 3.350 116 1HG2 ILE 17 1HG2 ILE 17 7.464 0.298 5.042 117 2HG2 ILE 17 2HG2 ILE 17 5.754 0.387 5.468 118 3HG2 ILE 17 3HG2 ILE 17 6.859 1.663 5.980 119 1HD1 ILE 17 1HD1 ILE 17 4.218 0.517 3.680 120 2HD1 ILE 17 2HD1 ILE 17 3.441 1.796 2.745 121 3HD1 ILE 17 3HD1 ILE 17 3.094 1.626 4.466 122 HA PRO 18 HA PRO 18 11.464 1.550 3.384 123 1HB PRO 18 2HB PRO 18 12.424 1.395 5.957 124 2HB PRO 18 1HB PRO 18 12.404 2.886 5.001 125 1HG PRO 18 2HG PRO 18 10.632 2.081 7.262 126 2HG PRO 18 1HG PRO 18 11.093 3.703 6.721 127 1HD PRO 18 2HD PRO 18 8.629 2.429 6.191 128 2HD PRO 18 1HD PRO 18 9.248 3.879 5.371 129 H GLY 19 H GLY 19 12.041 -0.571 3.103 130 1HA GLY 19 2HA GLY 19 12.404 -2.841 3.849 131 2HA GLY 19 1HA GLY 19 11.175 -2.605 5.088 132 H ARG 20 H ARG 20 9.661 -1.271 2.555 133 HA ARG 20 HA ARG 20 8.459 -3.879 1.727 134 1HB ARG 20 2HB ARG 20 7.189 -1.147 1.460 135 2HB ARG 20 1HB ARG 20 6.402 -2.717 1.335 136 1HG ARG 20 2HG ARG 20 7.818 -1.961 3.880 137 2HG ARG 20 1HG ARG 20 6.193 -1.352 3.565 138 1HD ARG 20 2HD ARG 20 5.776 -3.928 2.943 139 2HD ARG 20 1HD ARG 20 7.104 -4.144 4.084 140 HE ARG 20 HE ARG 20 4.741 -2.515 4.894 141 1HH1 ARG 20 1HH2 ARG 20 4.024 -5.336 5.112 142 2HH1 ARG 20 2HH2 ARG 20 4.608 -5.786 6.679 143 1HH2 ARG 20 2HH1 ARG 20 6.723 -3.036 6.963 144 2HH2 ARG 20 1HH1 ARG 20 6.148 -4.476 7.732 145 H CYS 21 H CYS 21 7.997 -4.222 -0.498 146 HA CYS 21 HA CYS 21 9.586 -2.501 -2.353 147 1HB CYS 21 2HB CYS 21 9.360 -5.340 -2.065 148 2HB CYS 21 1HB CYS 21 8.681 -4.897 -3.631 149 H GLY 22 H GLY 22 6.568 -4.431 -2.338 150 1HA GLY 22 2HA GLY 22 5.245 -2.221 -3.834 151 2HA GLY 22 1HA GLY 22 5.086 -3.879 -4.410 152 H GLY 23 H GLY 23 2.714 -2.877 -3.900 153 1HA GLY 23 2HA GLY 23 1.774 -4.379 -1.594 154 2HA GLY 23 1HA GLY 23 1.660 -2.641 -1.343 155 H TYR 24 H TYR 24 -0.689 -3.530 -1.206 156 HA TYR 24 HA TYR 24 -2.052 -2.769 -3.692 157 1HB TYR 24 2HB TYR 24 -3.287 -4.840 -3.963 158 2HB TYR 24 1HB TYR 24 -1.569 -5.236 -3.946 159 HD1 TYR 24 HD1 TYR 24 -4.761 -5.644 -2.270 160 HD2 TYR 24 HD2 TYR 24 -0.515 -6.123 -1.825 161 HE1 TYR 24 HE1 TYR 24 -5.133 -7.129 -0.321 162 HE2 TYR 24 HE2 TYR 24 -0.890 -7.609 0.126 163 HH TYR 24 HH TYR 24 -3.576 -7.744 1.838 164 H CYS 25 H CYS 25 -4.483 -2.713 -3.303 165 HA CYS 25 HA CYS 25 -4.997 -1.794 -0.534 166 1HB CYS 25 2HB CYS 25 -6.671 -1.639 -3.059 167 2HB CYS 25 1HB CYS 25 -7.173 -1.001 -1.493 168 H GLY 26 H GLY 26 -5.598 -3.392 0.862 169 1HA GLY 26 2HA GLY 26 -7.962 -4.990 0.365 170 2HA GLY 26 1HA GLY 26 -6.501 -5.966 0.245 171 H GLY 27 H GLY 27 -8.766 -5.798 2.300 172 1HA GLY 27 2HA GLY 27 -8.072 -6.766 4.572 173 2HA GLY 27 1HA GLY 27 -7.082 -5.315 4.727 174 H TRP 28 H TRP 28 -8.130 -3.290 5.054 175 HA TRP 28 HA TRP 28 -10.728 -3.503 6.394 176 1HB TRP 28 2HB TRP 28 -8.836 -2.067 7.246 177 2HB TRP 28 1HB TRP 28 -9.084 -1.011 5.857 178 HD1 TRP 28 HD1 TRP 28 -10.915 -2.292 8.990 179 HE1 TRP 28 HE1 TRP 28 -12.729 -0.580 9.631 180 HE3 TRP 28 HE3 TRP 28 -10.548 0.910 5.030 181 HZ2 TRP 28 HZ2 TRP 28 -13.873 1.830 8.604 182 HZ3 TRP 28 HZ3 TRP 28 -12.009 2.906 4.888 183 HH2 TRP 28 HH2 TRP 28 -13.672 3.368 6.667 184 H HIS 29 H HIS 29 -12.182 -3.975 4.701 185 HA HIS 29 HA HIS 29 -13.668 -3.501 2.962 186 1HB HIS 29 2HB HIS 29 -12.972 -0.616 3.588 187 2HB HIS 29 1HB HIS 29 -14.438 -1.200 2.808 188 HD1 HIS 29 HD1 HIS 29 -14.230 0.360 5.628 189 HD2 HIS 29 HD2 HIS 29 -14.842 -3.727 5.097 190 HE1 HIS 29 HE1 HIS 29 -15.303 -0.487 7.761 191 H ARG 30 H ARG 30 -10.786 -3.843 2.343 192 HA ARG 30 HA ARG 30 -9.351 -3.667 0.505 193 1HB ARG 30 2HB ARG 30 -11.529 -4.323 -0.645 194 2HB ARG 30 1HB ARG 30 -11.761 -2.610 -0.994 195 1HG ARG 30 2HG ARG 30 -10.039 -2.542 -2.523 196 2HG ARG 30 1HG ARG 30 -9.112 -3.788 -1.691 197 1HD ARG 30 2HD ARG 30 -9.889 -4.767 -3.739 198 2HD ARG 30 1HD ARG 30 -10.872 -5.455 -2.447 199 HE ARG 30 HE ARG 30 -12.728 -4.498 -3.516 200 1HH1 ARG 30 2HH1 ARG 30 -10.469 -3.787 -5.684 201 2HH1 ARG 30 1HH1 ARG 30 -10.981 -2.178 -6.067 202 1HH2 ARG 30 1HH2 ARG 30 -13.158 -1.947 -3.366 203 2HH2 ARG 30 2HH2 ARG 30 -12.519 -1.137 -4.757 204 H LEU 31 H LEU 31 -9.721 -1.364 2.338 205 HA LEU 31 HA LEU 31 -8.996 0.862 0.479 206 1HB LEU 31 2HB LEU 31 -10.228 0.974 3.247 207 2HB LEU 31 1HB LEU 31 -9.719 2.386 2.320 208 HG LEU 31 HG LEU 31 -11.636 0.377 1.143 209 1HD1 LEU 31 1HD1 LEU 31 -12.532 1.169 3.340 210 2HD1 LEU 31 2HD1 LEU 31 -13.499 1.708 1.968 211 3HD1 LEU 31 3HD1 LEU 31 -12.392 2.828 2.759 212 1HD2 LEU 31 1HD2 LEU 31 -11.036 3.317 0.685 213 2HD2 LEU 31 2HD2 LEU 31 -12.346 2.442 -0.110 214 3HD2 LEU 31 3HD2 LEU 31 -10.670 1.978 -0.406 215 H ARG 32 H ARG 32 -7.773 -1.243 2.894 216 HA ARG 32 HA ARG 32 -5.719 0.650 3.845 217 1HB ARG 32 2HB ARG 32 -6.833 -1.147 5.305 218 2HB ARG 32 1HB ARG 32 -5.851 -2.316 4.422 219 1HG ARG 32 2HG ARG 32 -3.821 -0.926 5.047 220 2HG ARG 32 1HG ARG 32 -4.875 -0.008 6.123 221 1HD ARG 32 2HD ARG 32 -5.233 -1.829 7.544 222 2HD ARG 32 1HD ARG 32 -4.828 -3.009 6.296 223 HE ARG 32 HE ARG 32 -2.440 -1.706 6.659 224 1HH1 ARG 32 2HH1 ARG 32 -3.422 -4.466 7.809 225 2HH1 ARG 32 1HH1 ARG 32 -2.863 -4.313 9.441 226 1HH2 ARG 32 1HH2 ARG 32 -2.288 -0.890 9.197 227 2HH2 ARG 32 2HH2 ARG 32 -2.219 -2.278 10.230 228 H CYS 33 H CYS 33 -3.540 0.538 3.266 229 HA CYS 33 HA CYS 33 -2.959 -0.940 0.772 230 1HB CYS 33 2HB CYS 33 -1.757 1.373 2.217 231 2HB CYS 33 1HB CYS 33 -0.671 0.386 1.239 232 H THR 34 H THR 34 -2.513 -3.067 1.254 233 HA THR 34 HA THR 34 -0.753 -3.719 3.537 234 HB THR 34 HB THR 34 -2.187 -5.473 1.517 235 HG1 THR 34 HG1 THR 34 -2.620 -5.027 4.287 236 1HG2 THR 34 1HG2 THR 34 -0.160 -6.593 2.270 237 2HG2 THR 34 2HG2 THR 34 -1.551 -7.330 3.064 238 3HG2 THR 34 3HG2 THR 34 -0.530 -6.198 3.948 239 H CYS 35 H CYS 35 1.384 -3.431 3.154 240 HA CYS 35 HA CYS 35 2.465 -4.017 0.437 241 1HB CYS 35 2HB CYS 35 4.043 -2.708 2.640 242 2HB CYS 35 1HB CYS 35 4.225 -2.536 0.895 243 H TYR 36 H TYR 36 4.335 -5.375 0.230 244 HA TYR 36 HA TYR 36 4.736 -7.206 2.561 245 1HB TYR 36 2HB TYR 36 5.676 -8.732 0.602 246 2HB TYR 36 1HB TYR 36 3.951 -8.662 0.948 247 HD1 TYR 36 HD1 TYR 36 2.402 -7.646 -0.591 248 HD2 TYR 36 HD2 TYR 36 6.634 -7.438 -1.304 249 HE1 TYR 36 HE1 TYR 36 1.974 -6.833 -2.891 250 HE2 TYR 36 HE2 TYR 36 6.203 -6.626 -3.607 251 HH TYR 36 HH TYR 36 3.172 -5.522 -4.634 252 H ARG 37 H ARG 37 6.893 -7.996 2.949 253 HA ARG 37 HA ARG 37 8.939 -5.980 2.702 254 1HB ARG 37 2HB ARG 37 9.062 -8.889 3.546 255 2HB ARG 37 1HB ARG 37 10.431 -7.782 3.646 256 1HG ARG 37 2HG ARG 37 9.072 -6.275 5.091 257 2HG ARG 37 1HG ARG 37 7.760 -7.451 5.044 258 1HD ARG 37 2HD ARG 37 8.731 -8.349 6.885 259 2HD ARG 37 1HD ARG 37 9.918 -9.013 5.764 260 HE ARG 37 HE ARG 37 10.636 -7.262 7.767 261 1HH1 ARG 37 2HH1 ARG 37 12.257 -8.183 5.243 262 2HH1 ARG 37 1HH1 ARG 37 12.866 -6.651 4.712 263 1HH2 ARG 37 1HH2 ARG 37 10.688 -4.806 6.702 264 2HH2 ARG 37 2HH2 ARG 37 11.969 -4.730 5.540 265 H CYS 38 H CYS 38 10.809 -5.973 1.406 266 HA CYS 38 HA CYS 38 10.562 -7.443 -1.143 267 1HB CYS 38 2HB CYS 38 11.266 -4.918 -0.741 268 2HB CYS 38 1HB CYS 38 12.866 -5.629 -0.537 269 H GLY 39 HN GLY 39 11.611 -9.330 -1.477 270 1HA GLY 39 2HA GLY 39 13.943 -9.996 0.272 271 2HA GLY 39 1HA GLY 39 12.858 -11.197 -0.427 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -7.465 3.402 2.546 2 2H GLY 1 2H GLY 1 -8.317 4.545 1.621 3 3H GLY 1 3H GLY 1 -8.609 4.411 3.289 4 1HA GLY 1 2HA GLY 1 -7.176 6.347 2.525 5 2HA GLY 1 1HA GLY 1 -6.577 5.369 3.865 6 H PHE 2 H PHE 2 -4.600 6.627 2.720 7 HA PHE 2 HA PHE 2 -2.554 6.402 1.601 8 1HB PHE 2 2HB PHE 2 -3.254 3.455 1.505 9 2HB PHE 2 1HB PHE 2 -1.643 4.165 1.425 10 HD1 PHE 2 HD1 PHE 2 -4.187 2.864 3.581 11 HD2 PHE 2 HD2 PHE 2 -0.878 5.601 3.449 12 HE1 PHE 2 HE1 PHE 2 -4.042 2.809 6.055 13 HE2 PHE 2 HE2 PHE 2 -0.734 5.546 5.925 14 HZ PHE 2 HZ PHE 2 -2.316 4.149 7.228 15 H GLY 3 H GLY 3 -5.062 6.794 0.019 16 1HA GLY 3 2HA GLY 3 -5.518 7.081 -2.260 17 2HA GLY 3 1HA GLY 3 -3.925 6.415 -2.620 18 H CYS 4 H CYS 4 -6.562 4.858 -0.795 19 HA CYS 4 HA CYS 4 -6.469 2.614 -2.753 20 1HB CYS 4 2HB CYS 4 -7.281 2.828 0.138 21 2HB CYS 4 1HB CYS 4 -7.870 1.493 -0.848 22 HA PRO 5 HA PRO 5 -7.912 0.742 -2.558 23 1HB PRO 5 2HB PRO 5 -9.333 -0.451 -4.582 24 2HB PRO 5 1HB PRO 5 -9.911 -0.334 -2.912 25 1HG PRO 5 2HG PRO 5 -10.796 1.193 -5.312 26 2HG PRO 5 1HG PRO 5 -11.685 0.824 -3.826 27 1HD PRO 5 2HD PRO 5 -10.448 3.298 -4.471 28 2HD PRO 5 1HD PRO 5 -11.099 2.826 -2.887 29 H ASN 6 H ASN 6 -7.408 3.200 -4.603 30 HA ASN 6 HA ASN 6 -6.555 2.119 -7.078 31 1HB ASN 6 2HB ASN 6 -6.742 4.599 -6.289 32 2HB ASN 6 1HB ASN 6 -5.085 4.377 -5.727 33 1HD2 ASN 6 1HD2 ASN 6 -6.908 5.278 -8.434 34 2HD2 ASN 6 2HD2 ASN 6 -5.716 5.052 -9.621 35 H ASN 7 H ASN 7 -5.007 0.634 -7.457 36 HA ASN 7 HA ASN 7 -3.109 -0.181 -5.420 37 1HB ASN 7 2HB ASN 7 -3.593 -0.949 -8.290 38 2HB ASN 7 1HB ASN 7 -2.162 -1.530 -7.439 39 1HD2 ASN 7 1HD2 ASN 7 -2.443 -3.271 -5.978 40 2HD2 ASN 7 2HD2 ASN 7 -3.953 -3.927 -5.571 41 H TYR 8 H TYR 8 -2.981 1.957 -8.220 42 HA TYR 8 HA TYR 8 -0.115 2.155 -8.387 43 1HB TYR 8 2HB TYR 8 -1.831 2.951 -10.118 44 2HB TYR 8 1HB TYR 8 -2.081 4.353 -9.079 45 HD1 TYR 8 HD1 TYR 8 -0.520 6.151 -9.029 46 HD2 TYR 8 HD2 TYR 8 0.483 2.486 -11.031 47 HE1 TYR 8 HE1 TYR 8 1.489 7.231 -9.999 48 HE2 TYR 8 HE2 TYR 8 2.494 3.565 -12.000 49 HH TYR 8 HH TYR 8 3.919 6.096 -10.924 50 H GLN 9 H GLN 9 -2.567 4.225 -6.793 51 HA GLN 9 HA GLN 9 -0.671 5.971 -5.526 52 1HB GLN 9 2HB GLN 9 -3.450 5.276 -4.531 53 2HB GLN 9 1HB GLN 9 -2.530 6.736 -4.172 54 1HG GLN 9 2HG GLN 9 -2.572 6.639 -6.962 55 2HG GLN 9 1HG GLN 9 -4.191 6.121 -6.496 56 1HE2 GLN 9 1HE2 GLN 9 -1.911 8.831 -6.371 57 2HE2 GLN 9 2HE2 GLN 9 -3.040 9.983 -5.843 58 H CYS 10 H CYS 10 -2.328 3.005 -4.425 59 HA CYS 10 HA CYS 10 -1.273 2.955 -1.770 60 1HB CYS 10 2HB CYS 10 -3.115 1.476 -2.683 61 2HB CYS 10 1HB CYS 10 -1.868 0.539 -3.500 62 H HIS 11 H HIS 11 -0.024 1.672 -4.847 63 HA HIS 11 HA HIS 11 2.275 0.357 -3.778 64 1HB HIS 11 2HB HIS 11 1.294 0.250 -6.180 65 2HB HIS 11 1HB HIS 11 2.251 1.699 -6.481 66 HD1 HIS 11 HD1 HIS 11 3.007 -0.838 -7.995 67 HD2 HIS 11 HD2 HIS 11 4.647 0.150 -4.292 68 HE1 HIS 11 HE1 HIS 11 5.190 -2.112 -7.809 69 H ARG 12 H ARG 12 1.802 3.686 -4.975 70 HA ARG 12 HA ARG 12 4.485 4.588 -4.687 71 1HB ARG 12 2HB ARG 12 2.188 5.739 -5.563 72 2HB ARG 12 1HB ARG 12 2.326 6.504 -3.980 73 1HG ARG 12 2HG ARG 12 4.748 6.360 -5.746 74 2HG ARG 12 1HG ARG 12 3.518 7.580 -6.079 75 1HD ARG 12 2HD ARG 12 4.995 7.190 -3.457 76 2HD ARG 12 1HD ARG 12 5.224 8.517 -4.594 77 HE ARG 12 HE ARG 12 2.638 8.890 -4.067 78 1HH1 ARG 12 1HH2 ARG 12 4.524 10.479 -2.430 79 2HH1 ARG 12 2HH2 ARG 12 4.099 10.034 -0.810 80 1HH2 ARG 12 2HH1 ARG 12 2.357 7.186 -1.776 81 2HH2 ARG 12 1HH1 ARG 12 2.862 8.164 -0.439 82 H HIS 13 H HIS 13 1.811 4.420 -2.355 83 HA HIS 13 HA HIS 13 3.155 5.711 -0.174 84 1HB HIS 13 2HB HIS 13 0.748 5.413 -0.103 85 2HB HIS 13 1HB HIS 13 0.917 3.663 -0.230 86 HD1 HIS 13 HD1 HIS 13 2.405 6.313 2.100 87 HD2 HIS 13 HD2 HIS 13 0.603 2.559 2.265 88 HE1 HIS 13 HE1 HIS 13 2.345 5.654 4.545 89 H CYS 14 H CYS 14 2.835 2.265 -1.083 90 HA CYS 14 HA CYS 14 4.312 1.168 1.089 91 1HB CYS 14 2HB CYS 14 3.988 0.210 -1.769 92 2HB CYS 14 1HB CYS 14 4.746 -0.749 -0.497 93 H LYS 15 H LYS 15 5.379 2.503 -2.024 94 HA LYS 15 HA LYS 15 8.141 1.771 -1.812 95 1HB LYS 15 2HB LYS 15 6.820 4.102 -3.239 96 2HB LYS 15 1HB LYS 15 8.504 3.629 -3.454 97 1HG LYS 15 2HG LYS 15 7.039 1.252 -3.774 98 2HG LYS 15 1HG LYS 15 6.116 2.479 -4.642 99 1HD LYS 15 2HD LYS 15 8.353 3.192 -5.688 100 2HD LYS 15 1HD LYS 15 8.998 1.673 -5.063 101 1HE LYS 15 2HE LYS 15 6.472 1.192 -6.380 102 2HE LYS 15 1HE LYS 15 7.554 2.062 -7.466 103 1HZ LYS 15 1HZ LYS 15 7.748 -0.423 -7.500 104 2HZ LYS 15 2HZ LYS 15 8.397 -0.332 -5.933 105 3HZ LYS 15 3HZ LYS 15 9.201 0.410 -7.232 106 H SER 16 H SER 16 6.317 4.615 -0.682 107 HA SER 16 HA SER 16 8.576 6.117 0.240 108 1HB SER 16 2HB SER 16 7.013 7.532 1.319 109 2HB SER 16 1HB SER 16 6.139 6.910 -0.074 110 HG SER 16 HG SER 16 5.224 5.332 1.336 111 H ILE 17 H ILE 17 6.770 3.445 1.645 112 HA ILE 17 HA ILE 17 7.870 3.772 4.325 113 HB ILE 17 HB ILE 17 6.579 1.335 3.050 114 1HG1 ILE 17 2HG1 ILE 17 5.209 3.223 4.951 115 2HG1 ILE 17 1HG1 ILE 17 5.290 3.629 3.238 116 1HG2 ILE 17 1HG2 ILE 17 7.925 0.924 5.128 117 2HG2 ILE 17 2HG2 ILE 17 6.206 0.596 5.337 118 3HG2 ILE 17 3HG2 ILE 17 6.901 2.086 5.972 119 1HD1 ILE 17 1HD1 ILE 17 3.858 1.375 4.585 120 2HD1 ILE 17 2HD1 ILE 17 4.478 1.115 2.954 121 3HD1 ILE 17 3HD1 ILE 17 3.322 2.410 3.262 122 HA PRO 18 HA PRO 18 11.767 1.913 3.302 123 1HB PRO 18 2HB PRO 18 12.732 1.850 5.878 124 2HB PRO 18 1HB PRO 18 12.699 3.309 4.874 125 1HG PRO 18 2HG PRO 18 10.933 2.564 7.162 126 2HG PRO 18 1HG PRO 18 11.385 4.172 6.569 127 1HD PRO 18 2HD PRO 18 8.927 2.869 6.081 128 2HD PRO 18 1HD PRO 18 9.539 4.292 5.213 129 H GLY 19 H GLY 19 12.390 -0.215 3.122 130 1HA GLY 19 2HA GLY 19 12.715 -2.479 3.836 131 2HA GLY 19 1HA GLY 19 11.618 -2.190 5.184 132 H ARG 20 H ARG 20 10.569 -1.140 2.040 133 HA ARG 20 HA ARG 20 8.917 -3.600 1.715 134 1HB ARG 20 2HB ARG 20 7.914 -0.741 1.544 135 2HB ARG 20 1HB ARG 20 6.966 -2.171 1.140 136 1HG ARG 20 2HG ARG 20 8.212 -1.672 3.862 137 2HG ARG 20 1HG ARG 20 6.534 -1.307 3.461 138 1HD ARG 20 2HD ARG 20 6.661 -3.875 2.606 139 2HD ARG 20 1HD ARG 20 7.846 -3.936 3.907 140 HE ARG 20 HE ARG 20 5.005 -3.815 4.272 141 1HH1 ARG 20 2HH1 ARG 20 7.182 -4.607 6.286 142 2HH1 ARG 20 1HH1 ARG 20 6.945 -3.409 7.513 143 1HH2 ARG 20 1HH2 ARG 20 5.031 -1.335 5.481 144 2HH2 ARG 20 2HH2 ARG 20 5.709 -1.553 7.060 145 H CYS 21 H CYS 21 7.936 -3.683 -0.537 146 HA CYS 21 HA CYS 21 9.687 -2.299 -2.530 147 1HB CYS 21 2HB CYS 21 9.584 -5.064 -2.020 148 2HB CYS 21 1HB CYS 21 8.653 -4.834 -3.500 149 H GLY 22 H GLY 22 6.647 -4.184 -2.286 150 1HA GLY 22 2HA GLY 22 5.268 -2.035 -3.794 151 2HA GLY 22 1HA GLY 22 5.161 -3.680 -4.417 152 H GLY 23 H GLY 23 2.770 -2.614 -3.800 153 1HA GLY 23 2HA GLY 23 1.882 -4.276 -1.567 154 2HA GLY 23 1HA GLY 23 1.734 -2.552 -1.245 155 H TYR 24 H TYR 24 -0.594 -3.432 -1.108 156 HA TYR 24 HA TYR 24 -1.997 -2.648 -3.567 157 1HB TYR 24 2HB TYR 24 -3.266 -4.722 -3.791 158 2HB TYR 24 1HB TYR 24 -1.546 -5.089 -3.897 159 HD1 TYR 24 HD1 TYR 24 -4.609 -5.529 -1.975 160 HD2 TYR 24 HD2 TYR 24 -0.348 -6.071 -1.926 161 HE1 TYR 24 HE1 TYR 24 -4.831 -7.079 -0.054 162 HE2 TYR 24 HE2 TYR 24 -0.569 -7.623 -0.004 163 HH TYR 24 HH TYR 24 -3.192 -9.143 0.840 164 H CYS 25 H CYS 25 -4.490 -2.868 -3.103 165 HA CYS 25 HA CYS 25 -4.943 -1.880 -0.327 166 1HB CYS 25 2HB CYS 25 -6.630 -1.614 -2.834 167 2HB CYS 25 1HB CYS 25 -7.088 -0.993 -1.250 168 H GLY 26 H GLY 26 -5.830 -3.320 1.078 169 1HA GLY 26 2HA GLY 26 -8.118 -4.949 0.403 170 2HA GLY 26 1HA GLY 26 -6.657 -5.933 0.471 171 H GLY 27 H GLY 27 -9.132 -5.648 2.278 172 1HA GLY 27 2HA GLY 27 -8.617 -6.541 4.653 173 2HA GLY 27 1HA GLY 27 -7.722 -5.034 4.841 174 H TRP 28 H TRP 28 -8.881 -3.073 5.022 175 HA TRP 28 HA TRP 28 -11.660 -3.391 5.954 176 1HB TRP 28 2HB TRP 28 -9.989 -2.033 7.238 177 2HB TRP 28 1HB TRP 28 -9.923 -0.904 5.887 178 HD1 TRP 28 HD1 TRP 28 -12.413 -2.293 8.480 179 HE1 TRP 28 HE1 TRP 28 -14.267 -0.542 8.840 180 HE3 TRP 28 HE3 TRP 28 -11.106 1.127 4.919 181 HZ2 TRP 28 HZ2 TRP 28 -15.088 1.977 7.766 182 HZ3 TRP 28 HZ3 TRP 28 -12.439 3.192 4.612 183 HH2 TRP 28 HH2 TRP 28 -14.428 3.620 6.027 184 H HIS 29 H HIS 29 -12.892 -3.672 4.088 185 HA HIS 29 HA HIS 29 -14.057 -3.072 2.155 186 1HB HIS 29 2HB HIS 29 -13.347 -0.263 3.060 187 2HB HIS 29 1HB HIS 29 -14.654 -0.703 1.964 188 HD1 HIS 29 HD1 HIS 29 -14.990 0.672 4.848 189 HD2 HIS 29 HD2 HIS 29 -15.591 -3.355 3.963 190 HE1 HIS 29 HE1 HIS 29 -16.491 -0.245 6.670 191 H ARG 30 H ARG 30 -11.172 -3.582 1.927 192 HA ARG 30 HA ARG 30 -9.469 -3.434 0.334 193 1HB ARG 30 2HB ARG 30 -11.599 -3.790 -1.108 194 2HB ARG 30 1HB ARG 30 -11.452 -2.076 -1.485 195 1HG ARG 30 2HG ARG 30 -9.508 -2.364 -2.695 196 2HG ARG 30 1HG ARG 30 -8.996 -3.751 -1.736 197 1HD ARG 30 2HD ARG 30 -9.596 -4.637 -3.868 198 2HD ARG 30 1HD ARG 30 -10.939 -5.028 -2.796 199 HE ARG 30 HE ARG 30 -10.986 -3.009 -4.964 200 1HH1 ARG 30 2HH1 ARG 30 -12.848 -5.432 -4.022 201 2HH1 ARG 30 1HH1 ARG 30 -14.282 -4.532 -3.659 202 1HH2 ARG 30 1HH2 ARG 30 -12.682 -1.446 -3.741 203 2HH2 ARG 30 2HH2 ARG 30 -14.187 -2.268 -3.500 204 H LEU 31 H LEU 31 -9.961 -1.171 2.209 205 HA LEU 31 HA LEU 31 -8.874 1.080 0.579 206 1HB LEU 31 2HB LEU 31 -10.452 1.032 3.152 207 2HB LEU 31 1HB LEU 31 -9.575 2.467 2.621 208 HG LEU 31 HG LEU 31 -11.647 1.011 0.951 209 1HD1 LEU 31 1HD1 LEU 31 -12.857 2.012 2.728 210 2HD1 LEU 31 2HD1 LEU 31 -12.946 3.186 1.415 211 3HD1 LEU 31 3HD1 LEU 31 -11.815 3.434 2.745 212 1HD2 LEU 31 1HD2 LEU 31 -11.393 3.575 -0.011 213 2HD2 LEU 31 2HD2 LEU 31 -10.566 2.170 -0.684 214 3HD2 LEU 31 3HD2 LEU 31 -9.736 3.210 0.473 215 H ARG 32 H ARG 32 -8.079 -1.213 3.025 216 HA ARG 32 HA ARG 32 -5.963 0.375 4.276 217 1HB ARG 32 2HB ARG 32 -7.170 -1.464 5.477 218 2HB ARG 32 1HB ARG 32 -6.432 -2.624 4.371 219 1HG ARG 32 2HG ARG 32 -4.191 -1.430 5.140 220 2HG ARG 32 1HG ARG 32 -5.160 -1.002 6.550 221 1HD ARG 32 2HD ARG 32 -5.126 -3.122 7.343 222 2HD ARG 32 1HD ARG 32 -5.484 -3.806 5.758 223 HE ARG 32 HE ARG 32 -3.131 -3.979 5.334 224 1HH1 ARG 32 1HH2 ARG 32 -3.548 -4.332 8.483 225 2HH1 ARG 32 2HH2 ARG 32 -2.096 -3.560 9.026 226 1HH2 ARG 32 2HH1 ARG 32 -1.389 -2.135 5.934 227 2HH2 ARG 32 1HH1 ARG 32 -0.869 -2.311 7.578 228 H CYS 33 H CYS 33 -3.778 0.337 3.727 229 HA CYS 33 HA CYS 33 -3.107 -0.957 1.147 230 1HB CYS 33 2HB CYS 33 -2.045 1.333 2.708 231 2HB CYS 33 1HB CYS 33 -0.858 0.399 1.800 232 H THR 34 H THR 34 -2.032 -2.845 1.102 233 HA THR 34 HA THR 34 -0.504 -3.679 3.533 234 HB THR 34 HB THR 34 -1.830 -5.377 1.397 235 HG1 THR 34 HG1 THR 34 -3.427 -5.573 2.769 236 1HG2 THR 34 1HG2 THR 34 -0.655 -6.347 3.998 237 2HG2 THR 34 2HG2 THR 34 0.333 -6.225 2.543 238 3HG2 THR 34 3HG2 THR 34 -1.077 -7.285 2.567 239 H CYS 35 H CYS 35 1.647 -3.387 3.168 240 HA CYS 35 HA CYS 35 2.699 -3.761 0.401 241 1HB CYS 35 2HB CYS 35 4.258 -2.565 2.688 242 2HB CYS 35 1HB CYS 35 4.482 -2.324 0.956 243 H TYR 36 H TYR 36 4.482 -5.154 0.042 244 HA TYR 36 HA TYR 36 5.027 -7.067 2.276 245 1HB TYR 36 2HB TYR 36 5.805 -8.555 0.245 246 2HB TYR 36 1HB TYR 36 4.092 -8.423 0.633 247 HD1 TYR 36 HD1 TYR 36 6.771 -7.217 -1.639 248 HD2 TYR 36 HD2 TYR 36 2.550 -7.332 -0.850 249 HE1 TYR 36 HE1 TYR 36 6.320 -6.322 -3.907 250 HE2 TYR 36 HE2 TYR 36 2.100 -6.437 -3.117 251 HH TYR 36 HH TYR 36 4.120 -6.514 -5.557 252 H ARG 37 H ARG 37 7.204 -7.853 2.516 253 HA ARG 37 HA ARG 37 9.228 -5.818 2.072 254 1HB ARG 37 2HB ARG 37 9.237 -8.585 3.261 255 2HB ARG 37 1HB ARG 37 10.754 -7.741 2.958 256 1HG ARG 37 2HG ARG 37 9.285 -5.778 4.185 257 2HG ARG 37 1HG ARG 37 8.687 -7.220 5.004 258 1HD ARG 37 2HD ARG 37 11.644 -6.933 4.629 259 2HD ARG 37 1HD ARG 37 10.863 -5.958 5.873 260 HE ARG 37 HE ARG 37 10.075 -8.747 6.046 261 1HH1 ARG 37 2HH1 ARG 37 13.079 -8.848 5.986 262 2HH1 ARG 37 1HH1 ARG 37 13.480 -8.684 7.663 263 1HH2 ARG 37 1HH2 ARG 37 10.341 -7.490 8.563 264 2HH2 ARG 37 2HH2 ARG 37 11.923 -7.911 9.128 265 H CYS 38 H CYS 38 11.032 -5.924 0.695 266 HA CYS 38 HA CYS 38 10.615 -7.404 -1.793 267 1HB CYS 38 2HB CYS 38 11.764 -4.999 -1.215 268 2HB CYS 38 1HB CYS 38 13.193 -6.019 -1.366 269 H GLY 39 HN GLY 39 11.702 -9.235 -2.442 270 1HA GLY 39 2HA GLY 39 13.413 -10.579 -0.435 271 2HA GLY 39 1HA GLY 39 12.729 -11.329 -1.878 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -7.791 3.377 2.104 2 2H GLY 1 2H GLY 1 -8.672 4.608 1.329 3 3H GLY 1 3H GLY 1 -8.922 4.290 2.980 4 1HA GLY 1 2HA GLY 1 -7.519 6.309 2.401 5 2HA GLY 1 1HA GLY 1 -6.881 5.195 3.608 6 H PHE 2 H PHE 2 -5.082 6.767 2.330 7 HA PHE 2 HA PHE 2 -3.104 6.744 1.082 8 1HB PHE 2 2HB PHE 2 -3.547 3.772 1.473 9 2HB PHE 2 1HB PHE 2 -2.080 4.449 0.767 10 HD1 PHE 2 HD1 PHE 2 -3.722 3.561 3.801 11 HD2 PHE 2 HD2 PHE 2 -0.886 6.329 2.146 12 HE1 PHE 2 HE1 PHE 2 -2.842 4.019 6.073 13 HE2 PHE 2 HE2 PHE 2 -0.006 6.786 4.418 14 HZ PHE 2 HZ PHE 2 -0.984 5.631 6.382 15 H GLY 3 H GLY 3 -5.639 6.861 -0.398 16 1HA GLY 3 2HA GLY 3 -6.251 6.952 -2.652 17 2HA GLY 3 1HA GLY 3 -4.614 6.448 -3.060 18 H CYS 4 H CYS 4 -7.292 4.854 -1.276 19 HA CYS 4 HA CYS 4 -6.855 2.454 -2.996 20 1HB CYS 4 2HB CYS 4 -7.838 2.818 -0.176 21 2HB CYS 4 1HB CYS 4 -8.288 1.376 -1.083 22 HA PRO 5 HA PRO 5 -8.128 0.500 -2.808 23 1HB PRO 5 2HB PRO 5 -9.312 -0.906 -4.848 24 2HB PRO 5 1HB PRO 5 -9.999 -0.768 -3.221 25 1HG PRO 5 2HG PRO 5 -10.864 0.566 -5.741 26 2HG PRO 5 1HG PRO 5 -11.809 0.181 -4.294 27 1HD PRO 5 2HD PRO 5 -10.761 2.728 -4.982 28 2HD PRO 5 1HD PRO 5 -11.461 2.266 -3.417 29 H ASN 6 H ASN 6 -7.733 2.897 -4.967 30 HA ASN 6 HA ASN 6 -6.639 1.783 -7.326 31 1HB ASN 6 2HB ASN 6 -7.067 4.275 -6.653 32 2HB ASN 6 1HB ASN 6 -5.425 4.208 -6.014 33 1HD2 ASN 6 1HD2 ASN 6 -7.087 5.066 -8.757 34 2HD2 ASN 6 2HD2 ASN 6 -5.876 4.797 -9.915 35 H ASN 7 H ASN 7 -4.768 0.672 -7.718 36 HA ASN 7 HA ASN 7 -3.001 0.041 -5.460 37 1HB ASN 7 2HB ASN 7 -3.289 -0.941 -8.280 38 2HB ASN 7 1HB ASN 7 -1.787 -1.252 -7.412 39 1HD2 ASN 7 1HD2 ASN 7 -3.910 -3.221 -8.217 40 2HD2 ASN 7 2HD2 ASN 7 -4.410 -3.963 -6.775 41 H TYR 8 H TYR 8 -3.010 2.281 -8.119 42 HA TYR 8 HA TYR 8 -0.162 2.634 -8.368 43 1HB TYR 8 2HB TYR 8 -1.957 3.448 -9.998 44 2HB TYR 8 1HB TYR 8 -2.272 4.755 -8.859 45 HD1 TYR 8 HD1 TYR 8 -0.778 6.616 -8.645 46 HD2 TYR 8 HD2 TYR 8 0.311 3.226 -11.050 47 HE1 TYR 8 HE1 TYR 8 1.136 7.889 -9.573 48 HE2 TYR 8 HE2 TYR 8 2.227 4.500 -11.977 49 HH TYR 8 HH TYR 8 3.645 6.787 -10.818 50 H GLN 9 H GLN 9 -2.632 4.603 -6.659 51 HA GLN 9 HA GLN 9 -0.717 6.241 -5.276 52 1HB GLN 9 2HB GLN 9 -3.568 5.557 -4.487 53 2HB GLN 9 1HB GLN 9 -2.615 6.896 -3.848 54 1HG GLN 9 2HG GLN 9 -2.939 6.685 -6.818 55 2HG GLN 9 1HG GLN 9 -4.304 7.269 -5.869 56 1HE2 GLN 9 1HE2 GLN 9 -0.954 8.003 -6.810 57 2HE2 GLN 9 2HE2 GLN 9 -0.978 9.610 -6.265 58 H CYS 10 H CYS 10 -2.418 3.236 -4.421 59 HA CYS 10 HA CYS 10 -1.472 3.013 -1.732 60 1HB CYS 10 2HB CYS 10 -3.283 1.613 -2.907 61 2HB CYS 10 1HB CYS 10 -1.956 0.669 -3.580 62 H HIS 11 H HIS 11 -0.132 1.885 -4.833 63 HA HIS 11 HA HIS 11 2.135 0.518 -3.752 64 1HB HIS 11 2HB HIS 11 1.349 0.292 -6.115 65 2HB HIS 11 1HB HIS 11 1.919 1.930 -6.430 66 HD1 HIS 11 HD1 HIS 11 3.194 -1.517 -5.544 67 HD2 HIS 11 HD2 HIS 11 4.701 2.160 -6.794 68 HE1 HIS 11 HE1 HIS 11 5.638 -1.894 -6.092 69 H ARG 12 H ARG 12 1.629 3.904 -4.733 70 HA ARG 12 HA ARG 12 4.304 4.823 -4.461 71 1HB ARG 12 2HB ARG 12 2.084 6.035 -5.270 72 2HB ARG 12 1HB ARG 12 2.029 6.571 -3.590 73 1HG ARG 12 2HG ARG 12 4.650 7.034 -4.178 74 2HG ARG 12 1HG ARG 12 3.907 7.322 -5.752 75 1HD ARG 12 2HD ARG 12 2.619 9.100 -4.970 76 2HD ARG 12 1HD ARG 12 2.658 8.528 -3.303 77 HE ARG 12 HE ARG 12 5.308 9.155 -3.869 78 1HH1 ARG 12 2HH1 ARG 12 3.526 10.638 -1.897 79 2HH1 ARG 12 1HH1 ARG 12 3.615 12.256 -2.507 80 1HH2 ARG 12 1HH2 ARG 12 4.895 11.300 -5.594 81 2HH2 ARG 12 2HH2 ARG 12 4.396 12.633 -4.609 82 H HIS 13 H HIS 13 1.705 4.503 -2.040 83 HA HIS 13 HA HIS 13 3.138 5.647 0.163 84 1HB HIS 13 2HB HIS 13 0.743 5.321 0.338 85 2HB HIS 13 1HB HIS 13 0.907 3.589 0.055 86 HD1 HIS 13 HD1 HIS 13 2.437 6.065 2.546 87 HD2 HIS 13 HD2 HIS 13 0.763 2.250 2.450 88 HE1 HIS 13 HE1 HIS 13 2.496 5.199 4.924 89 H CYS 14 H CYS 14 2.847 2.283 -0.998 90 HA CYS 14 HA CYS 14 4.511 1.134 1.054 91 1HB CYS 14 2HB CYS 14 3.899 0.162 -1.755 92 2HB CYS 14 1HB CYS 14 4.667 -0.807 -0.499 93 H LYS 15 H LYS 15 5.168 2.628 -2.072 94 HA LYS 15 HA LYS 15 7.875 1.789 -2.394 95 1HB LYS 15 2HB LYS 15 6.311 4.177 -3.370 96 2HB LYS 15 1HB LYS 15 8.027 4.000 -3.738 97 1HG LYS 15 2HG LYS 15 6.655 1.501 -4.221 98 2HG LYS 15 1HG LYS 15 5.859 2.806 -5.098 99 1HD LYS 15 2HD LYS 15 7.518 2.152 -6.612 100 2HD LYS 15 1HD LYS 15 8.297 3.492 -5.771 101 1HE LYS 15 2HE LYS 15 8.666 0.933 -4.393 102 2HE LYS 15 1HE LYS 15 9.328 0.926 -6.028 103 1HZ LYS 15 1HZ LYS 15 10.484 3.016 -5.481 104 2HZ LYS 15 2HZ LYS 15 10.981 1.718 -4.504 105 3HZ LYS 15 3HZ LYS 15 9.924 2.895 -3.883 106 H SER 16 H SER 16 6.492 4.674 -0.772 107 HA SER 16 HA SER 16 9.048 5.783 -0.042 108 1HB SER 16 2HB SER 16 7.704 7.118 1.619 109 2HB SER 16 1HB SER 16 7.120 7.232 -0.037 110 HG SER 16 HG SER 16 6.058 5.813 2.157 111 H ILE 17 H ILE 17 7.106 3.220 1.323 112 HA ILE 17 HA ILE 17 8.333 3.299 3.963 113 HB ILE 17 HB ILE 17 6.776 1.107 2.555 114 1HG1 ILE 17 2HG1 ILE 17 5.838 2.885 4.811 115 2HG1 ILE 17 1HG1 ILE 17 5.683 3.395 3.130 116 1HG2 ILE 17 1HG2 ILE 17 7.618 1.411 5.457 117 2HG2 ILE 17 2HG2 ILE 17 8.195 0.181 4.330 118 3HG2 ILE 17 3HG2 ILE 17 6.510 0.179 4.851 119 1HD1 ILE 17 1HD1 ILE 17 4.691 0.868 2.963 120 2HD1 ILE 17 2HD1 ILE 17 3.690 2.290 3.253 121 3HD1 ILE 17 3HD1 ILE 17 4.214 1.289 4.606 122 HA PRO 18 HA PRO 18 12.063 1.285 2.612 123 1HB PRO 18 2HB PRO 18 13.248 1.278 5.092 124 2HB PRO 18 1HB PRO 18 13.176 2.703 4.043 125 1HG PRO 18 2HG PRO 18 11.620 2.114 6.513 126 2HG PRO 18 1HG PRO 18 12.037 3.679 5.797 127 1HD PRO 18 2HD PRO 18 9.526 2.369 5.612 128 2HD PRO 18 1HD PRO 18 10.043 3.784 4.674 129 H GLY 19 H GLY 19 12.862 -0.848 2.681 130 1HA GLY 19 2HA GLY 19 13.145 -3.052 3.592 131 2HA GLY 19 1HA GLY 19 11.896 -2.697 4.784 132 H ARG 20 H ARG 20 10.370 -1.572 2.218 133 HA ARG 20 HA ARG 20 9.310 -4.246 1.412 134 1HB ARG 20 2HB ARG 20 7.977 -1.688 2.150 135 2HB ARG 20 1HB ARG 20 7.239 -2.630 0.855 136 1HG ARG 20 2HG ARG 20 6.228 -3.435 2.852 137 2HG ARG 20 1HG ARG 20 7.432 -4.649 2.425 138 1HD ARG 20 2HD ARG 20 8.909 -3.974 4.115 139 2HD ARG 20 1HD ARG 20 8.166 -2.381 4.260 140 HE ARG 20 HE ARG 20 7.284 -4.805 5.619 141 1HH1 ARG 20 2HH1 ARG 20 7.154 -1.909 6.592 142 2HH1 ARG 20 1HH1 ARG 20 5.443 -1.639 6.612 143 1HH2 ARG 20 1HH2 ARG 20 4.725 -4.401 4.619 144 2HH2 ARG 20 2HH2 ARG 20 4.060 -3.055 5.483 145 H CYS 21 H CYS 21 7.989 -3.935 -0.768 146 HA CYS 21 HA CYS 21 9.652 -2.304 -2.644 147 1HB CYS 21 2HB CYS 21 9.222 -5.176 -2.580 148 2HB CYS 21 1HB CYS 21 8.649 -4.490 -4.101 149 H GLY 22 H GLY 22 6.554 -4.109 -2.417 150 1HA GLY 22 2HA GLY 22 5.193 -1.755 -3.606 151 2HA GLY 22 1HA GLY 22 4.980 -3.319 -4.388 152 H GLY 23 H GLY 23 2.654 -2.481 -3.688 153 1HA GLY 23 2HA GLY 23 1.840 -4.182 -1.462 154 2HA GLY 23 1HA GLY 23 1.637 -2.465 -1.123 155 H TYR 24 H TYR 24 -0.676 -3.448 -1.005 156 HA TYR 24 HA TYR 24 -2.058 -2.695 -3.493 157 1HB TYR 24 2HB TYR 24 -3.288 -4.786 -3.707 158 2HB TYR 24 1HB TYR 24 -1.562 -5.140 -3.755 159 HD1 TYR 24 HD1 TYR 24 -0.414 -6.091 -1.745 160 HD2 TYR 24 HD2 TYR 24 -4.672 -5.539 -1.895 161 HE1 TYR 24 HE1 TYR 24 -0.682 -7.600 0.206 162 HE2 TYR 24 HE2 TYR 24 -4.939 -7.047 0.054 163 HH TYR 24 HH TYR 24 -2.533 -7.862 2.090 164 H CYS 25 H CYS 25 -4.495 -2.728 -3.109 165 HA CYS 25 HA CYS 25 -5.029 -1.713 -0.379 166 1HB CYS 25 2HB CYS 25 -6.654 -1.672 -2.935 167 2HB CYS 25 1HB CYS 25 -7.256 -1.067 -1.393 168 H GLY 26 H GLY 26 -5.505 -3.328 1.052 169 1HA GLY 26 2HA GLY 26 -7.895 -4.910 0.729 170 2HA GLY 26 1HA GLY 26 -6.461 -5.909 0.483 171 H GLY 27 H GLY 27 -8.506 -5.827 2.709 172 1HA GLY 27 2HA GLY 27 -7.530 -6.766 4.914 173 2HA GLY 27 1HA GLY 27 -6.699 -5.214 5.010 174 H TRP 28 H TRP 28 -8.461 -3.354 4.408 175 HA TRP 28 HA TRP 28 -10.843 -3.844 6.145 176 1HB TRP 28 2HB TRP 28 -9.150 -2.401 7.263 177 2HB TRP 28 1HB TRP 28 -9.245 -1.272 5.914 178 HD1 TRP 28 HD1 TRP 28 -11.411 -2.714 8.752 179 HE1 TRP 28 HE1 TRP 28 -13.296 -1.037 9.271 180 HE3 TRP 28 HE3 TRP 28 -10.627 0.685 5.020 181 HZ2 TRP 28 HZ2 TRP 28 -14.335 1.420 8.245 182 HZ3 TRP 28 HZ3 TRP 28 -12.078 2.683 4.817 183 HH2 TRP 28 HH2 TRP 28 -13.931 3.053 6.421 184 H HIS 29 H HIS 29 -12.270 -4.192 4.427 185 HA HIS 29 HA HIS 29 -13.713 -3.643 2.676 186 1HB HIS 29 2HB HIS 29 -13.054 -0.813 3.553 187 2HB HIS 29 1HB HIS 29 -14.439 -1.292 2.578 188 HD1 HIS 29 HD1 HIS 29 -14.559 0.000 5.512 189 HD2 HIS 29 HD2 HIS 29 -15.041 -4.034 4.588 190 HE1 HIS 29 HE1 HIS 29 -15.825 -1.032 7.448 191 H ARG 30 H ARG 30 -10.837 -3.955 2.073 192 HA ARG 30 HA ARG 30 -9.374 -3.674 0.265 193 1HB ARG 30 2HB ARG 30 -11.696 -4.147 -0.861 194 2HB ARG 30 1HB ARG 30 -11.636 -2.439 -1.284 195 1HG ARG 30 2HG ARG 30 -9.839 -2.709 -2.715 196 2HG ARG 30 1HG ARG 30 -9.208 -4.095 -1.827 197 1HD ARG 30 2HD ARG 30 -10.846 -5.563 -2.753 198 2HD ARG 30 1HD ARG 30 -11.804 -4.220 -3.373 199 HE ARG 30 HE ARG 30 -10.379 -4.148 -5.257 200 1HH1 ARG 30 1HH2 ARG 30 -7.790 -3.816 -3.830 201 2HH1 ARG 30 2HH2 ARG 30 -6.946 -5.277 -4.230 202 1HH2 ARG 30 2HH1 ARG 30 -9.810 -6.954 -5.267 203 2HH2 ARG 30 1HH1 ARG 30 -8.095 -7.059 -5.048 204 H LEU 31 H LEU 31 -9.893 -1.417 2.211 205 HA LEU 31 HA LEU 31 -9.029 0.860 0.480 206 1HB LEU 31 2HB LEU 31 -10.596 0.809 3.062 207 2HB LEU 31 1HB LEU 31 -9.838 2.279 2.452 208 HG LEU 31 HG LEU 31 -11.814 0.589 0.889 209 1HD1 LEU 31 1HD1 LEU 31 -13.445 2.309 1.362 210 2HD1 LEU 31 2HD1 LEU 31 -12.239 3.293 2.192 211 3HD1 LEU 31 3HD1 LEU 31 -12.773 1.770 2.900 212 1HD2 LEU 31 1HD2 LEU 31 -10.318 3.157 0.358 213 2HD2 LEU 31 2HD2 LEU 31 -11.858 2.834 -0.438 214 3HD2 LEU 31 3HD2 LEU 31 -10.493 1.747 -0.687 215 H ARG 32 H ARG 32 -7.968 -1.339 2.848 216 HA ARG 32 HA ARG 32 -6.036 0.497 4.103 217 1HB ARG 32 2HB ARG 32 -7.248 -1.574 5.186 218 2HB ARG 32 1HB ARG 32 -5.962 -2.494 4.405 219 1HG ARG 32 2HG ARG 32 -4.681 -1.998 6.195 220 2HG ARG 32 1HG ARG 32 -4.626 -0.346 5.580 221 1HD ARG 32 2HD ARG 32 -6.016 0.422 7.197 222 2HD ARG 32 1HD ARG 32 -7.102 -0.960 7.040 223 HE ARG 32 HE ARG 32 -5.174 -2.181 8.371 224 1HH1 ARG 32 2HH1 ARG 32 -3.767 0.453 8.864 225 2HH1 ARG 32 1HH1 ARG 32 -4.366 0.882 10.432 226 1HH2 ARG 32 1HH2 ARG 32 -7.014 -1.369 10.321 227 2HH2 ARG 32 2HH2 ARG 32 -6.212 -0.154 11.261 228 H CYS 33 H CYS 33 -3.875 0.628 3.531 229 HA CYS 33 HA CYS 33 -3.082 -0.730 1.031 230 1HB CYS 33 2HB CYS 33 -2.136 1.629 2.578 231 2HB CYS 33 1HB CYS 33 -0.915 0.746 1.661 232 H THR 34 H THR 34 -2.304 -2.765 1.291 233 HA THR 34 HA THR 34 -0.615 -3.364 3.671 234 HB THR 34 HB THR 34 -1.934 -5.247 1.689 235 HG1 THR 34 HG1 THR 34 -3.608 -4.959 2.899 236 1HG2 THR 34 1HG2 THR 34 -1.406 -6.909 3.566 237 2HG2 THR 34 2HG2 THR 34 -0.326 -5.675 4.212 238 3HG2 THR 34 3HG2 THR 34 -0.033 -6.352 2.611 239 H CYS 35 H CYS 35 1.520 -3.092 3.268 240 HA CYS 35 HA CYS 35 2.574 -3.559 0.527 241 1HB CYS 35 2HB CYS 35 4.148 -2.484 2.870 242 2HB CYS 35 1HB CYS 35 4.455 -2.257 1.148 243 H TYR 36 H TYR 36 4.110 -5.164 0.098 244 HA TYR 36 HA TYR 36 4.566 -7.110 2.317 245 1HB TYR 36 2HB TYR 36 5.223 -8.652 0.327 246 2HB TYR 36 1HB TYR 36 3.518 -8.306 0.592 247 HD1 TYR 36 HD1 TYR 36 6.480 -7.476 -1.484 248 HD2 TYR 36 HD2 TYR 36 2.237 -7.014 -0.985 249 HE1 TYR 36 HE1 TYR 36 6.307 -6.551 -3.777 250 HE2 TYR 36 HE2 TYR 36 2.065 -6.088 -3.278 251 HH TYR 36 HH TYR 36 4.873 -5.232 -5.132 252 H ARG 37 H ARG 37 6.664 -8.013 2.623 253 HA ARG 37 HA ARG 37 8.844 -6.183 2.416 254 1HB ARG 37 2HB ARG 37 8.603 -9.093 3.104 255 2HB ARG 37 1HB ARG 37 10.202 -8.384 2.883 256 1HG ARG 37 2HG ARG 37 9.879 -6.826 4.648 257 2HG ARG 37 1HG ARG 37 8.139 -7.113 4.686 258 1HD ARG 37 2HD ARG 37 9.669 -9.569 5.093 259 2HD ARG 37 1HD ARG 37 10.028 -8.349 6.314 260 HE ARG 37 HE ARG 37 7.186 -9.042 5.724 261 1HH1 ARG 37 2HH1 ARG 37 8.364 -7.205 7.950 262 2HH1 ARG 37 1HH1 ARG 37 8.139 -8.225 9.331 263 1HH2 ARG 37 1HH2 ARG 37 7.559 -11.089 7.448 264 2HH2 ARG 37 2HH2 ARG 37 7.682 -10.434 9.046 265 H CYS 38 H CYS 38 10.704 -6.228 1.080 266 HA CYS 38 HA CYS 38 10.221 -7.346 -1.620 267 1HB CYS 38 2HB CYS 38 11.041 -4.928 -1.101 268 2HB CYS 38 1HB CYS 38 12.614 -5.685 -0.848 269 H GLY 39 HN GLY 39 11.115 -9.251 -2.190 270 1HA GLY 39 2HA GLY 39 13.254 -10.421 -0.511 271 2HA GLY 39 1HA GLY 39 12.317 -11.280 -1.733 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -8.695 4.731 1.329 2 2H GLY 1 2H GLY 1 -8.888 4.308 2.963 3 3H GLY 1 3H GLY 1 -7.781 3.462 1.988 4 1HA GLY 1 2HA GLY 1 -7.503 6.370 2.427 5 2HA GLY 1 1HA GLY 1 -6.862 5.214 3.593 6 H PHE 2 H PHE 2 -5.089 6.852 2.326 7 HA PHE 2 HA PHE 2 -3.124 6.872 1.054 8 1HB PHE 2 2HB PHE 2 -3.478 3.864 1.272 9 2HB PHE 2 1HB PHE 2 -1.992 4.683 0.791 10 HD1 PHE 2 HD1 PHE 2 -1.439 6.776 2.518 11 HD2 PHE 2 HD2 PHE 2 -3.501 3.130 3.476 12 HE1 PHE 2 HE1 PHE 2 -0.821 7.052 4.904 13 HE2 PHE 2 HE2 PHE 2 -2.882 3.407 5.860 14 HZ PHE 2 HZ PHE 2 -1.543 5.368 6.574 15 H GLY 3 H GLY 3 -5.709 6.918 -0.392 16 1HA GLY 3 2HA GLY 3 -6.388 6.960 -2.628 17 2HA GLY 3 1HA GLY 3 -4.717 6.619 -3.071 18 H CYS 4 H CYS 4 -7.379 4.862 -1.429 19 HA CYS 4 HA CYS 4 -6.681 2.475 -3.087 20 1HB CYS 4 2HB CYS 4 -7.653 2.777 -0.263 21 2HB CYS 4 1HB CYS 4 -8.055 1.312 -1.157 22 HA PRO 5 HA PRO 5 -7.740 0.444 -3.013 23 1HB PRO 5 2HB PRO 5 -8.814 -1.008 -5.079 24 2HB PRO 5 1HB PRO 5 -9.487 -0.980 -3.441 25 1HG PRO 5 2HG PRO 5 -10.515 0.327 -5.909 26 2HG PRO 5 1HG PRO 5 -11.395 -0.178 -4.458 27 1HD PRO 5 2HD PRO 5 -10.591 2.472 -5.102 28 2HD PRO 5 1HD PRO 5 -11.238 1.912 -3.544 29 H ASN 6 H ASN 6 -7.419 2.952 -4.957 30 HA ASN 6 HA ASN 6 -6.417 2.143 -7.458 31 1HB ASN 6 2HB ASN 6 -6.720 4.528 -6.505 32 2HB ASN 6 1HB ASN 6 -5.103 4.321 -5.833 33 1HD2 ASN 6 1HD2 ASN 6 -6.830 5.174 -8.684 34 2HD2 ASN 6 2HD2 ASN 6 -5.509 5.180 -9.749 35 H ASN 7 H ASN 7 -4.593 1.098 -8.113 36 HA ASN 7 HA ASN 7 -2.830 -0.100 -6.119 37 1HB ASN 7 2HB ASN 7 -3.115 -0.257 -9.104 38 2HB ASN 7 1HB ASN 7 -1.629 -0.838 -8.355 39 1HD2 ASN 7 1HD2 ASN 7 -2.057 -2.397 -6.385 40 2HD2 ASN 7 2HD2 ASN 7 -3.326 -3.508 -6.577 41 H TYR 8 H TYR 8 -2.485 2.388 -8.656 42 HA TYR 8 HA TYR 8 0.316 2.827 -8.348 43 1HB TYR 8 2HB TYR 8 -1.313 3.727 -10.162 44 2HB TYR 8 1HB TYR 8 -1.635 5.030 -9.020 45 HD1 TYR 8 HD1 TYR 8 -0.413 6.965 -9.412 46 HD2 TYR 8 HD2 TYR 8 1.401 3.155 -10.218 47 HE1 TYR 8 HE1 TYR 8 1.667 8.107 -10.131 48 HE2 TYR 8 HE2 TYR 8 3.480 4.297 -10.937 49 HH TYR 8 HH TYR 8 3.923 6.848 -11.940 50 H GLN 9 H GLN 9 -2.460 4.536 -6.855 51 HA GLN 9 HA GLN 9 -0.934 6.306 -5.228 52 1HB GLN 9 2HB GLN 9 -3.715 5.169 -5.026 53 2HB GLN 9 1HB GLN 9 -3.068 6.170 -3.728 54 1HG GLN 9 2HG GLN 9 -2.679 7.242 -6.461 55 2HG GLN 9 1HG GLN 9 -4.352 7.177 -5.907 56 1HE2 GLN 9 1HE2 GLN 9 -1.116 8.429 -4.987 57 2HE2 GLN 9 2HE2 GLN 9 -1.708 9.679 -4.005 58 H CYS 10 H CYS 10 -2.294 3.086 -4.476 59 HA CYS 10 HA CYS 10 -1.298 2.933 -1.801 60 1HB CYS 10 2HB CYS 10 -3.002 1.403 -3.033 61 2HB CYS 10 1HB CYS 10 -1.580 0.529 -3.599 62 H HIS 11 H HIS 11 0.107 1.998 -4.923 63 HA HIS 11 HA HIS 11 2.447 0.712 -3.931 64 1HB HIS 11 2HB HIS 11 1.597 0.696 -6.326 65 2HB HIS 11 1HB HIS 11 2.271 2.317 -6.492 66 HD1 HIS 11 HD1 HIS 11 3.418 -1.183 -5.508 67 HD2 HIS 11 HD2 HIS 11 4.966 2.332 -7.129 68 HE1 HIS 11 HE1 HIS 11 5.825 -1.679 -6.124 69 H ARG 12 H ARG 12 1.830 4.137 -4.753 70 HA ARG 12 HA ARG 12 4.485 5.084 -4.313 71 1HB ARG 12 2HB ARG 12 2.290 6.282 -5.234 72 2HB ARG 12 1HB ARG 12 2.156 6.803 -3.552 73 1HG ARG 12 2HG ARG 12 4.503 7.648 -3.665 74 2HG ARG 12 1HG ARG 12 4.543 7.221 -5.377 75 1HD ARG 12 2HD ARG 12 2.308 8.674 -5.425 76 2HD ARG 12 1HD ARG 12 3.044 9.413 -4.001 77 HE ARG 12 HE ARG 12 5.117 9.559 -5.707 78 1HH1 ARG 12 1HH2 ARG 12 3.161 9.030 -7.968 79 2HH1 ARG 12 2HH2 ARG 12 2.762 10.640 -8.466 80 1HH2 ARG 12 2HH1 ARG 12 4.015 12.118 -5.577 81 2HH2 ARG 12 1HH1 ARG 12 3.253 12.398 -7.107 82 H HIS 13 H HIS 13 1.725 4.738 -2.081 83 HA HIS 13 HA HIS 13 3.049 5.823 0.223 84 1HB HIS 13 2HB HIS 13 0.611 5.564 0.148 85 2HB HIS 13 1HB HIS 13 0.779 3.814 0.023 86 HD1 HIS 13 HD1 HIS 13 2.098 6.502 2.407 87 HD2 HIS 13 HD2 HIS 13 0.496 2.656 2.500 88 HE1 HIS 13 HE1 HIS 13 1.979 5.835 4.848 89 H CYS 14 H CYS 14 2.642 2.464 -0.935 90 HA CYS 14 HA CYS 14 4.087 1.237 1.214 91 1HB CYS 14 2HB CYS 14 3.438 0.371 -1.604 92 2HB CYS 14 1HB CYS 14 4.384 -0.647 -0.517 93 H LYS 15 H LYS 15 5.124 2.630 -1.874 94 HA LYS 15 HA LYS 15 7.827 1.648 -1.773 95 1HB LYS 15 2HB LYS 15 6.385 3.779 -3.306 96 2HB LYS 15 1HB LYS 15 8.149 3.794 -3.302 97 1HG LYS 15 2HG LYS 15 7.643 1.139 -3.749 98 2HG LYS 15 1HG LYS 15 6.287 1.894 -4.587 99 1HD LYS 15 2HD LYS 15 7.617 2.755 -6.213 100 2HD LYS 15 1HD LYS 15 8.865 3.233 -5.064 101 1HE LYS 15 2HE LYS 15 8.451 0.325 -5.724 102 2HE LYS 15 1HE LYS 15 9.409 1.351 -6.791 103 1HZ LYS 15 1HZ LYS 15 10.838 0.314 -5.187 104 2HZ LYS 15 2HZ LYS 15 9.884 0.873 -3.897 105 3HZ LYS 15 3HZ LYS 15 10.761 1.975 -4.848 106 H SER 16 H SER 16 6.301 4.680 -0.632 107 HA SER 16 HA SER 16 8.716 5.973 0.178 108 1HB SER 16 2HB SER 16 7.307 7.416 1.536 109 2HB SER 16 1HB SER 16 6.488 7.103 0.010 110 HG SER 16 HG SER 16 5.893 6.245 2.595 111 H ILE 17 H ILE 17 6.799 3.439 1.672 112 HA ILE 17 HA ILE 17 8.149 3.637 4.265 113 HB ILE 17 HB ILE 17 6.374 1.461 3.104 114 1HG1 ILE 17 2HG1 ILE 17 5.522 3.321 5.284 115 2HG1 ILE 17 1HG1 ILE 17 5.566 3.958 3.641 116 1HG2 ILE 17 1HG2 ILE 17 7.725 0.534 4.882 117 2HG2 ILE 17 2HG2 ILE 17 6.116 0.836 5.539 118 3HG2 ILE 17 3HG2 ILE 17 7.438 1.946 5.902 119 1HD1 ILE 17 1HD1 ILE 17 4.301 1.694 3.084 120 2HD1 ILE 17 2HD1 ILE 17 3.417 3.096 3.684 121 3HD1 ILE 17 3HD1 ILE 17 3.850 1.789 4.786 122 HA PRO 18 HA PRO 18 11.629 1.268 2.843 123 1HB PRO 18 2HB PRO 18 12.876 1.120 5.290 124 2HB PRO 18 1HB PRO 18 12.913 2.556 4.252 125 1HG PRO 18 2HG PRO 18 11.361 2.088 6.756 126 2HG PRO 18 1HG PRO 18 11.926 3.613 6.054 127 1HD PRO 18 2HD PRO 18 9.288 2.599 5.912 128 2HD PRO 18 1HD PRO 18 9.945 3.939 4.947 129 H GLY 19 H GLY 19 12.202 -0.926 2.841 130 1HA GLY 19 2HA GLY 19 12.327 -3.149 3.780 131 2HA GLY 19 1HA GLY 19 11.076 -2.705 4.937 132 H ARG 20 H ARG 20 9.734 -1.446 2.315 133 HA ARG 20 HA ARG 20 8.483 -4.029 1.465 134 1HB ARG 20 2HB ARG 20 7.113 -1.347 1.298 135 2HB ARG 20 1HB ARG 20 6.386 -2.951 1.272 136 1HG ARG 20 2HG ARG 20 7.914 -2.011 3.695 137 2HG ARG 20 1HG ARG 20 6.228 -1.554 3.466 138 1HD ARG 20 2HD ARG 20 6.045 -4.200 2.946 139 2HD ARG 20 1HD ARG 20 7.400 -4.215 4.074 140 HE ARG 20 HE ARG 20 4.695 -3.111 4.718 141 1HH1 ARG 20 1HH2 ARG 20 5.422 -5.738 5.881 142 2HH1 ARG 20 2HH2 ARG 20 6.084 -5.308 7.423 143 1HH2 ARG 20 2HH1 ARG 20 6.561 -1.967 6.580 144 2HH2 ARG 20 1HH1 ARG 20 6.735 -3.169 7.816 145 H CYS 21 H CYS 21 8.063 -4.303 -0.758 146 HA CYS 21 HA CYS 21 9.564 -2.444 -2.542 147 1HB CYS 21 2HB CYS 21 9.255 -5.310 -2.450 148 2HB CYS 21 1HB CYS 21 8.668 -4.706 -3.999 149 H GLY 22 H GLY 22 6.472 -4.237 -2.405 150 1HA GLY 22 2HA GLY 22 5.224 -2.012 -3.947 151 2HA GLY 22 1HA GLY 22 4.913 -3.685 -4.405 152 H GLY 23 H GLY 23 2.628 -2.661 -3.887 153 1HA GLY 23 2HA GLY 23 1.776 -3.826 -1.363 154 2HA GLY 23 1HA GLY 23 1.690 -2.067 -1.342 155 H TYR 24 H TYR 24 -0.579 -3.677 -1.076 156 HA TYR 24 HA TYR 24 -2.096 -2.893 -3.511 157 1HB TYR 24 2HB TYR 24 -3.222 -5.017 -3.641 158 2HB TYR 24 1HB TYR 24 -1.495 -5.363 -3.581 159 HD1 TYR 24 HD1 TYR 24 -0.443 -6.069 -1.393 160 HD2 TYR 24 HD2 TYR 24 -4.695 -5.741 -1.906 161 HE1 TYR 24 HE1 TYR 24 -0.795 -7.434 0.646 162 HE2 TYR 24 HE2 TYR 24 -5.045 -7.107 0.131 163 HH TYR 24 HH TYR 24 -3.800 -7.682 2.199 164 H CYS 25 H CYS 25 -4.451 -2.744 -3.071 165 HA CYS 25 HA CYS 25 -4.937 -1.746 -0.333 166 1HB CYS 25 2HB CYS 25 -6.643 -1.696 -2.840 167 2HB CYS 25 1HB CYS 25 -7.121 -0.988 -1.297 168 H GLY 26 H GLY 26 -5.458 -3.323 1.112 169 1HA GLY 26 2HA GLY 26 -7.871 -4.877 0.811 170 2HA GLY 26 1HA GLY 26 -6.452 -5.895 0.578 171 H GLY 27 H GLY 27 -8.476 -5.808 2.802 172 1HA GLY 27 2HA GLY 27 -7.530 -6.712 5.018 173 2HA GLY 27 1HA GLY 27 -6.645 -5.188 5.088 174 H TRP 28 H TRP 28 -8.357 -3.282 4.454 175 HA TRP 28 HA TRP 28 -10.704 -3.653 6.265 176 1HB TRP 28 2HB TRP 28 -8.877 -2.151 7.167 177 2HB TRP 28 1HB TRP 28 -9.193 -1.065 5.815 178 HD1 TRP 28 HD1 TRP 28 -10.917 -2.543 8.919 179 HE1 TRP 28 HE1 TRP 28 -12.828 -0.966 9.621 180 HE3 TRP 28 HE3 TRP 28 -10.786 0.784 5.047 181 HZ2 TRP 28 HZ2 TRP 28 -14.129 1.395 8.670 182 HZ3 TRP 28 HZ3 TRP 28 -12.370 2.686 4.972 183 HH2 TRP 28 HH2 TRP 28 -14.042 2.995 6.776 184 H HIS 29 H HIS 29 -12.059 -4.183 4.480 185 HA HIS 29 HA HIS 29 -13.548 -3.726 2.738 186 1HB HIS 29 2HB HIS 29 -13.056 -0.825 3.479 187 2HB HIS 29 1HB HIS 29 -14.470 -1.482 2.660 188 HD1 HIS 29 HD1 HIS 29 -14.333 -0.022 5.567 189 HD2 HIS 29 HD2 HIS 29 -14.793 -4.096 4.823 190 HE1 HIS 29 HE1 HIS 29 -15.388 -1.014 7.646 191 H ARG 30 H ARG 30 -10.652 -3.881 2.161 192 HA ARG 30 HA ARG 30 -9.206 -3.568 0.348 193 1HB ARG 30 2HB ARG 30 -11.374 -4.195 -0.867 194 2HB ARG 30 1HB ARG 30 -11.596 -2.469 -1.143 195 1HG ARG 30 2HG ARG 30 -9.375 -2.378 -2.253 196 2HG ARG 30 1HG ARG 30 -9.202 -4.115 -2.017 197 1HD ARG 30 2HD ARG 30 -11.651 -3.062 -3.398 198 2HD ARG 30 1HD ARG 30 -10.139 -3.187 -4.298 199 HE ARG 30 HE ARG 30 -10.168 -5.656 -3.514 200 1HH1 ARG 30 1HH2 ARG 30 -12.768 -5.415 -2.029 201 2HH1 ARG 30 2HH2 ARG 30 -13.909 -5.988 -3.199 202 1HH2 ARG 30 2HH1 ARG 30 -11.719 -5.658 -5.879 203 2HH2 ARG 30 1HH1 ARG 30 -13.312 -6.129 -5.389 204 H LEU 31 H LEU 31 -9.702 -1.392 2.312 205 HA LEU 31 HA LEU 31 -8.986 0.956 0.609 206 1HB LEU 31 2HB LEU 31 -10.352 0.865 3.311 207 2HB LEU 31 1HB LEU 31 -9.830 2.347 2.511 208 HG LEU 31 HG LEU 31 -11.695 0.352 1.206 209 1HD1 LEU 31 1HD1 LEU 31 -12.764 1.198 3.242 210 2HD1 LEU 31 2HD1 LEU 31 -13.516 1.924 1.822 211 3HD1 LEU 31 3HD1 LEU 31 -12.367 2.854 2.783 212 1HD2 LEU 31 1HD2 LEU 31 -12.267 2.543 -0.061 213 2HD2 LEU 31 2HD2 LEU 31 -10.736 1.755 -0.440 214 3HD2 LEU 31 3HD2 LEU 31 -10.764 3.163 0.620 215 H ARG 32 H ARG 32 -7.830 -1.226 3.005 216 HA ARG 32 HA ARG 32 -5.865 0.665 4.117 217 1HB ARG 32 2HB ARG 32 -7.051 -1.388 5.304 218 2HB ARG 32 1HB ARG 32 -5.724 -2.294 4.578 219 1HG ARG 32 2HG ARG 32 -4.267 -0.308 5.575 220 2HG ARG 32 1HG ARG 32 -5.637 -0.155 6.674 221 1HD ARG 32 2HD ARG 32 -4.460 -1.725 7.861 222 2HD ARG 32 1HD ARG 32 -5.308 -2.827 6.776 223 HE ARG 32 HE ARG 32 -3.019 -2.223 5.365 224 1HH1 ARG 32 2HH1 ARG 32 -3.571 -4.894 6.726 225 2HH1 ARG 32 1HH1 ARG 32 -2.161 -5.067 7.717 226 1HH2 ARG 32 1HH2 ARG 32 -1.244 -1.723 7.449 227 2HH2 ARG 32 2HH2 ARG 32 -0.836 -3.265 8.125 228 H CYS 33 H CYS 33 -3.715 0.745 3.525 229 HA CYS 33 HA CYS 33 -2.974 -0.679 1.046 230 1HB CYS 33 2HB CYS 33 -2.039 1.734 2.494 231 2HB CYS 33 1HB CYS 33 -0.785 0.814 1.661 232 H THR 34 H THR 34 -2.394 -2.774 1.519 233 HA THR 34 HA THR 34 -0.569 -3.287 3.802 234 HB THR 34 HB THR 34 -2.001 -5.204 1.934 235 HG1 THR 34 HG1 THR 34 -3.595 -4.749 3.209 236 1HG2 THR 34 1HG2 THR 34 -0.320 -5.644 4.414 237 2HG2 THR 34 2HG2 THR 34 -0.019 -6.271 2.794 238 3HG2 THR 34 3HG2 THR 34 -1.385 -6.873 3.732 239 H CYS 35 H CYS 35 1.568 -3.119 3.349 240 HA CYS 35 HA CYS 35 2.517 -3.627 0.578 241 1HB CYS 35 2HB CYS 35 4.267 -2.588 2.787 242 2HB CYS 35 1HB CYS 35 4.363 -2.276 1.055 243 H TYR 36 H TYR 36 4.051 -5.219 0.117 244 HA TYR 36 HA TYR 36 4.502 -7.207 2.290 245 1HB TYR 36 2HB TYR 36 5.334 -8.606 0.208 246 2HB TYR 36 1HB TYR 36 3.614 -8.442 0.540 247 HD1 TYR 36 HD1 TYR 36 6.408 -7.287 -1.598 248 HD2 TYR 36 HD2 TYR 36 2.170 -7.135 -0.897 249 HE1 TYR 36 HE1 TYR 36 6.071 -6.261 -3.831 250 HE2 TYR 36 HE2 TYR 36 1.837 -6.108 -3.128 251 HH TYR 36 HH TYR 36 3.541 -6.247 -5.488 252 H ARG 37 H ARG 37 6.638 -8.203 2.475 253 HA ARG 37 HA ARG 37 8.764 -6.237 2.440 254 1HB ARG 37 2HB ARG 37 8.943 -9.230 2.898 255 2HB ARG 37 1HB ARG 37 10.164 -8.036 3.331 256 1HG ARG 37 2HG ARG 37 9.126 -7.650 5.287 257 2HG ARG 37 1HG ARG 37 7.646 -7.208 4.435 258 1HD ARG 37 2HD ARG 37 6.803 -9.404 4.502 259 2HD ARG 37 1HD ARG 37 8.393 -10.104 4.801 260 HE ARG 37 HE ARG 37 6.624 -8.901 6.824 261 1HH1 ARG 37 2HH1 ARG 37 7.955 -11.506 7.271 262 2HH1 ARG 37 1HH1 ARG 37 9.282 -11.090 8.302 263 1HH2 ARG 37 1HH2 ARG 37 9.115 -7.693 7.580 264 2HH2 ARG 37 2HH2 ARG 37 9.943 -8.920 8.478 265 H CYS 38 H CYS 38 10.664 -6.234 1.175 266 HA CYS 38 HA CYS 38 10.350 -7.453 -1.507 267 1HB CYS 38 2HB CYS 38 11.060 -4.982 -0.978 268 2HB CYS 38 1HB CYS 38 12.653 -5.691 -0.713 269 H GLY 39 HN GLY 39 11.422 -9.283 -2.049 270 1HA GLY 39 2HA GLY 39 13.432 -10.387 -0.187 271 2HA GLY 39 1HA GLY 39 12.698 -11.244 -1.543 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -7.302 3.502 2.275 2 2H GLY 1 2H GLY 1 -8.217 4.639 1.404 3 3H GLY 1 3H GLY 1 -8.377 4.529 3.093 4 1HA GLY 1 2HA GLY 1 -7.003 6.447 2.208 5 2HA GLY 1 1HA GLY 1 -6.289 5.468 3.488 6 H PHE 2 H PHE 2 -4.486 6.791 2.067 7 HA PHE 2 HA PHE 2 -2.549 6.566 0.772 8 1HB PHE 2 2HB PHE 2 -3.124 3.594 0.771 9 2HB PHE 2 1HB PHE 2 -1.556 4.391 0.646 10 HD1 PHE 2 HD1 PHE 2 -3.768 2.766 2.849 11 HD2 PHE 2 HD2 PHE 2 -1.009 6.054 2.672 12 HE1 PHE 2 HE1 PHE 2 -3.553 2.719 5.319 13 HE2 PHE 2 HE2 PHE 2 -0.795 6.008 5.143 14 HZ PHE 2 HZ PHE 2 -2.068 4.340 6.467 15 H GLY 3 H GLY 3 -5.235 6.808 -0.546 16 1HA GLY 3 2HA GLY 3 -5.991 6.956 -2.751 17 2HA GLY 3 1HA GLY 3 -4.376 6.489 -3.272 18 H CYS 4 H CYS 4 -6.909 4.804 -1.376 19 HA CYS 4 HA CYS 4 -6.528 2.444 -3.160 20 1HB CYS 4 2HB CYS 4 -7.399 2.779 -0.306 21 2HB CYS 4 1HB CYS 4 -7.941 1.364 -1.207 22 HA PRO 5 HA PRO 5 -7.734 0.508 -3.019 23 1HB PRO 5 2HB PRO 5 -9.031 -0.914 -4.975 24 2HB PRO 5 1HB PRO 5 -9.616 -0.781 -3.308 25 1HG PRO 5 2HG PRO 5 -10.666 0.519 -5.769 26 2HG PRO 5 1HG PRO 5 -11.501 0.153 -4.251 27 1HD PRO 5 2HD PRO 5 -10.489 2.692 -5.064 28 2HD PRO 5 1HD PRO 5 -11.132 2.268 -3.463 29 H ASN 6 H ASN 6 -7.269 2.924 -5.010 30 HA ASN 6 HA ASN 6 -6.480 1.897 -7.540 31 1HB ASN 6 2HB ASN 6 -6.673 4.354 -6.805 32 2HB ASN 6 1HB ASN 6 -5.052 4.159 -6.137 33 1HD2 ASN 6 1HD2 ASN 6 -6.830 3.569 -9.226 34 2HD2 ASN 6 2HD2 ASN 6 -5.510 3.953 -10.222 35 H ASN 7 H ASN 7 -4.612 0.936 -8.272 36 HA ASN 7 HA ASN 7 -2.857 -0.295 -6.278 37 1HB ASN 7 2HB ASN 7 -2.981 -0.429 -9.299 38 2HB ASN 7 1HB ASN 7 -1.756 -1.275 -8.354 39 1HD2 ASN 7 1HD2 ASN 7 -5.116 -1.326 -9.332 40 2HD2 ASN 7 2HD2 ASN 7 -5.536 -2.748 -8.508 41 H TYR 8 H TYR 8 -2.508 2.174 -8.837 42 HA TYR 8 HA TYR 8 0.316 2.523 -8.576 43 1HB TYR 8 2HB TYR 8 -0.760 3.482 -10.496 44 2HB TYR 8 1HB TYR 8 -1.881 4.398 -9.490 45 HD1 TYR 8 HD1 TYR 8 -1.395 6.630 -9.002 46 HD2 TYR 8 HD2 TYR 8 1.807 3.962 -10.044 47 HE1 TYR 8 HE1 TYR 8 0.207 8.520 -8.921 48 HE2 TYR 8 HE2 TYR 8 3.408 5.854 -9.965 49 HH TYR 8 HH TYR 8 2.866 8.735 -10.272 50 H GLN 9 H GLN 9 -2.370 4.402 -7.116 51 HA GLN 9 HA GLN 9 -0.743 6.078 -5.490 52 1HB GLN 9 2HB GLN 9 -3.574 5.082 -5.078 53 2HB GLN 9 1HB GLN 9 -2.820 6.339 -4.099 54 1HG GLN 9 2HG GLN 9 -2.378 7.623 -6.218 55 2HG GLN 9 1HG GLN 9 -3.342 6.424 -7.081 56 1HE2 GLN 9 1HE2 GLN 9 -5.631 6.585 -6.935 57 2HE2 GLN 9 2HE2 GLN 9 -6.427 7.766 -6.014 58 H CYS 10 H CYS 10 -2.285 2.943 -4.758 59 HA CYS 10 HA CYS 10 -1.404 2.743 -2.050 60 1HB CYS 10 2HB CYS 10 -3.095 1.253 -3.295 61 2HB CYS 10 1HB CYS 10 -1.694 0.382 -3.916 62 H HIS 11 H HIS 11 0.089 1.721 -5.111 63 HA HIS 11 HA HIS 11 2.388 0.441 -4.012 64 1HB HIS 11 2HB HIS 11 1.650 0.323 -6.417 65 2HB HIS 11 1HB HIS 11 2.233 1.974 -6.624 66 HD1 HIS 11 HD1 HIS 11 3.578 -1.404 -5.460 67 HD2 HIS 11 HD2 HIS 11 4.917 2.105 -7.268 68 HE1 HIS 11 HE1 HIS 11 6.015 -1.780 -6.041 69 H ARG 12 H ARG 12 1.778 3.840 -4.904 70 HA ARG 12 HA ARG 12 4.394 4.856 -4.455 71 1HB ARG 12 2HB ARG 12 2.385 6.090 -5.450 72 2HB ARG 12 1HB ARG 12 1.840 6.343 -3.792 73 1HG ARG 12 2HG ARG 12 4.676 7.034 -4.364 74 2HG ARG 12 1HG ARG 12 3.456 8.087 -5.080 75 1HD ARG 12 2HD ARG 12 3.246 7.313 -2.180 76 2HD ARG 12 1HD ARG 12 4.336 8.610 -2.665 77 HE ARG 12 HE ARG 12 1.443 8.701 -3.415 78 1HH1 ARG 12 1HH2 ARG 12 3.390 10.885 -4.178 79 2HH1 ARG 12 2HH2 ARG 12 3.099 12.062 -2.943 80 1HH2 ARG 12 2HH1 ARG 12 1.442 9.838 -0.848 81 2HH2 ARG 12 1HH1 ARG 12 1.989 11.468 -1.051 82 H HIS 13 H HIS 13 1.647 4.483 -2.191 83 HA HIS 13 HA HIS 13 2.967 5.547 0.108 84 1HB HIS 13 2HB HIS 13 0.554 5.205 0.113 85 2HB HIS 13 1HB HIS 13 0.765 3.467 -0.102 86 HD1 HIS 13 HD1 HIS 13 2.256 6.001 2.353 87 HD2 HIS 13 HD2 HIS 13 0.415 2.261 2.346 88 HE1 HIS 13 HE1 HIS 13 2.208 5.221 4.763 89 H CYS 14 H CYS 14 2.633 2.155 -1.014 90 HA CYS 14 HA CYS 14 4.176 0.974 1.075 91 1HB CYS 14 2HB CYS 14 3.705 0.103 -1.788 92 2HB CYS 14 1HB CYS 14 4.523 -0.898 -0.588 93 H LYS 15 H LYS 15 5.137 2.422 -2.021 94 HA LYS 15 HA LYS 15 7.893 1.629 -1.933 95 1HB LYS 15 2HB LYS 15 6.352 3.771 -3.370 96 2HB LYS 15 1HB LYS 15 8.115 3.796 -3.410 97 1HG LYS 15 2HG LYS 15 7.857 1.253 -4.031 98 2HG LYS 15 1HG LYS 15 6.228 1.733 -4.511 99 1HD LYS 15 2HD LYS 15 6.990 2.719 -6.390 100 2HD LYS 15 1HD LYS 15 8.207 3.626 -5.491 101 1HE LYS 15 2HE LYS 15 8.624 0.692 -5.994 102 2HE LYS 15 1HE LYS 15 8.971 1.851 -7.276 103 1HZ LYS 15 1HZ LYS 15 10.180 1.703 -4.577 104 2HZ LYS 15 2HZ LYS 15 10.327 3.078 -5.563 105 3HZ LYS 15 3HZ LYS 15 10.959 1.588 -6.078 106 H SER 16 H SER 16 6.180 4.509 -0.693 107 HA SER 16 HA SER 16 8.526 5.899 0.193 108 1HB SER 16 2HB SER 16 7.032 7.300 1.460 109 2HB SER 16 1HB SER 16 6.214 6.899 -0.045 110 HG SER 16 HG SER 16 5.074 5.286 1.095 111 H ILE 17 H ILE 17 6.697 3.236 1.554 112 HA ILE 17 HA ILE 17 7.880 3.458 4.221 113 HB ILE 17 HB ILE 17 6.433 1.117 2.933 114 1HG1 ILE 17 2HG1 ILE 17 5.203 2.992 4.934 115 2HG1 ILE 17 1HG1 ILE 17 5.265 3.474 3.239 116 1HG2 ILE 17 1HG2 ILE 17 7.181 1.785 5.792 117 2HG2 ILE 17 2HG2 ILE 17 7.664 0.369 4.858 118 3HG2 ILE 17 3HG2 ILE 17 5.987 0.558 5.371 119 1HD1 ILE 17 1HD1 ILE 17 3.542 2.118 2.746 120 2HD1 ILE 17 2HD1 ILE 17 3.391 1.742 4.461 121 3HD1 ILE 17 3HD1 ILE 17 4.397 0.733 3.423 122 HA PRO 18 HA PRO 18 11.636 1.446 2.954 123 1HB PRO 18 2HB PRO 18 12.767 1.388 5.460 124 2HB PRO 18 1HB PRO 18 12.720 2.833 4.437 125 1HG PRO 18 2HG PRO 18 11.096 2.192 6.854 126 2HG PRO 18 1HG PRO 18 11.548 3.772 6.192 127 1HD PRO 18 2HD PRO 18 9.028 2.513 5.909 128 2HD PRO 18 1HD PRO 18 9.602 3.923 4.992 129 H GLY 19 H GLY 19 11.949 -0.722 2.652 130 1HA GLY 19 2HA GLY 19 12.390 -2.938 3.659 131 2HA GLY 19 1HA GLY 19 11.086 -2.614 4.799 132 H ARG 20 H ARG 20 9.350 -1.455 2.665 133 HA ARG 20 HA ARG 20 8.397 -4.042 1.556 134 1HB ARG 20 2HB ARG 20 6.950 -1.397 1.379 135 2HB ARG 20 1HB ARG 20 6.271 -3.019 1.280 136 1HG ARG 20 2HG ARG 20 7.688 -2.138 3.785 137 2HG ARG 20 1HG ARG 20 6.011 -1.672 3.508 138 1HD ARG 20 2HD ARG 20 5.925 -4.335 2.880 139 2HD ARG 20 1HD ARG 20 7.145 -4.322 4.153 140 HE ARG 20 HE ARG 20 4.323 -3.939 4.553 141 1HH1 ARG 20 2HH1 ARG 20 6.254 -4.824 6.672 142 2HH1 ARG 20 1HH1 ARG 20 6.266 -3.468 7.746 143 1HH2 ARG 20 1HH2 ARG 20 4.840 -1.297 5.436 144 2HH2 ARG 20 2HH2 ARG 20 5.458 -1.463 7.046 145 H CYS 21 H CYS 21 8.020 -4.318 -0.681 146 HA CYS 21 HA CYS 21 9.491 -2.396 -2.428 147 1HB CYS 21 2HB CYS 21 9.419 -5.253 -2.304 148 2HB CYS 21 1HB CYS 21 8.730 -4.758 -3.850 149 H GLY 22 H GLY 22 6.543 -4.429 -2.458 150 1HA GLY 22 2HA GLY 22 5.201 -2.282 -4.044 151 2HA GLY 22 1HA GLY 22 4.989 -3.983 -4.456 152 H GLY 23 H GLY 23 2.650 -2.929 -3.998 153 1HA GLY 23 2HA GLY 23 1.744 -4.162 -1.532 154 2HA GLY 23 1HA GLY 23 1.670 -2.406 -1.448 155 H TYR 24 H TYR 24 -0.633 -3.897 -1.242 156 HA TYR 24 HA TYR 24 -2.098 -3.063 -3.689 157 1HB TYR 24 2HB TYR 24 -3.264 -5.171 -3.868 158 2HB TYR 24 1HB TYR 24 -1.539 -5.531 -3.832 159 HD1 TYR 24 HD1 TYR 24 -4.724 -5.852 -2.086 160 HD2 TYR 24 HD2 TYR 24 -0.475 -6.383 -1.729 161 HE1 TYR 24 HE1 TYR 24 -5.070 -7.264 -0.078 162 HE2 TYR 24 HE2 TYR 24 -0.824 -7.797 0.280 163 HH TYR 24 HH TYR 24 -3.462 -9.269 1.056 164 H CYS 25 H CYS 25 -4.412 -2.762 -3.274 165 HA CYS 25 HA CYS 25 -4.928 -1.871 -0.517 166 1HB CYS 25 2HB CYS 25 -6.635 -1.774 -3.023 167 2HB CYS 25 1HB CYS 25 -7.100 -1.078 -1.470 168 H GLY 26 H GLY 26 -5.640 -3.336 0.950 169 1HA GLY 26 2HA GLY 26 -7.979 -4.941 0.566 170 2HA GLY 26 1HA GLY 26 -6.553 -5.954 0.358 171 H GLY 27 H GLY 27 -8.687 -5.706 2.557 172 1HA GLY 27 2HA GLY 27 -7.840 -6.693 4.785 173 2HA GLY 27 1HA GLY 27 -6.852 -5.235 4.872 174 H TRP 28 H TRP 28 -8.017 -3.152 4.922 175 HA TRP 28 HA TRP 28 -10.523 -3.390 6.489 176 1HB TRP 28 2HB TRP 28 -8.609 -2.000 7.344 177 2HB TRP 28 1HB TRP 28 -8.833 -0.927 5.964 178 HD1 TRP 28 HD1 TRP 28 -10.683 -2.180 9.095 179 HE1 TRP 28 HE1 TRP 28 -12.450 -0.426 9.755 180 HE3 TRP 28 HE3 TRP 28 -10.254 1.040 5.153 181 HZ2 TRP 28 HZ2 TRP 28 -13.538 2.018 8.751 182 HZ3 TRP 28 HZ3 TRP 28 -11.667 3.072 5.032 183 HH2 TRP 28 HH2 TRP 28 -13.309 3.564 6.823 184 H HIS 29 H HIS 29 -12.030 -3.798 4.824 185 HA HIS 29 HA HIS 29 -13.537 -3.264 3.117 186 1HB HIS 29 2HB HIS 29 -12.744 -0.410 3.778 187 2HB HIS 29 1HB HIS 29 -14.231 -0.929 2.989 188 HD1 HIS 29 HD1 HIS 29 -13.974 0.568 5.838 189 HD2 HIS 29 HD2 HIS 29 -14.707 -3.490 5.232 190 HE1 HIS 29 HE1 HIS 29 -15.064 -0.288 7.959 191 H ARG 30 H ARG 30 -10.675 -3.673 2.453 192 HA ARG 30 HA ARG 30 -9.250 -3.513 0.613 193 1HB ARG 30 2HB ARG 30 -11.494 -4.114 -0.490 194 2HB ARG 30 1HB ARG 30 -11.608 -2.406 -0.914 195 1HG ARG 30 2HG ARG 30 -9.883 -2.521 -2.430 196 2HG ARG 30 1HG ARG 30 -9.030 -3.766 -1.521 197 1HD ARG 30 2HD ARG 30 -11.336 -5.076 -2.266 198 2HD ARG 30 1HD ARG 30 -11.023 -4.047 -3.665 199 HE ARG 30 HE ARG 30 -9.235 -6.197 -2.666 200 1HH1 ARG 30 1HH2 ARG 30 -7.845 -3.658 -3.709 201 2HH1 ARG 30 2HH2 ARG 30 -7.559 -4.098 -5.359 202 1HH2 ARG 30 2HH1 ARG 30 -9.774 -6.779 -5.298 203 2HH2 ARG 30 1HH1 ARG 30 -8.657 -5.873 -6.262 204 H LEU 31 H LEU 31 -9.690 -1.154 2.423 205 HA LEU 31 HA LEU 31 -8.896 1.033 0.553 206 1HB LEU 31 2HB LEU 31 -10.167 1.118 3.299 207 2HB LEU 31 1HB LEU 31 -9.525 2.545 2.487 208 HG LEU 31 HG LEU 31 -11.546 0.733 1.158 209 1HD1 LEU 31 1HD1 LEU 31 -12.161 3.259 2.716 210 2HD1 LEU 31 2HD1 LEU 31 -12.404 1.634 3.359 211 3HD1 LEU 31 3HD1 LEU 31 -13.315 2.169 1.947 212 1HD2 LEU 31 1HD2 LEU 31 -11.963 2.750 -0.194 213 2HD2 LEU 31 2HD2 LEU 31 -10.254 2.318 -0.253 214 3HD2 LEU 31 3HD2 LEU 31 -10.792 3.650 0.769 215 H ARG 32 H ARG 32 -7.743 -1.076 3.011 216 HA ARG 32 HA ARG 32 -5.618 0.729 3.942 217 1HB ARG 32 2HB ARG 32 -6.850 -1.262 5.213 218 2HB ARG 32 1HB ARG 32 -5.572 -2.218 4.465 219 1HG ARG 32 2HG ARG 32 -4.308 -1.588 6.239 220 2HG ARG 32 1HG ARG 32 -4.187 -0.029 5.422 221 1HD ARG 32 2HD ARG 32 -6.341 0.630 6.602 222 2HD ARG 32 1HD ARG 32 -6.165 -0.837 7.567 223 HE ARG 32 HE ARG 32 -4.184 1.408 7.575 224 1HH1 ARG 32 1HH2 ARG 32 -6.145 1.061 9.843 225 2HH1 ARG 32 2HH2 ARG 32 -5.201 0.178 10.995 226 1HH2 ARG 32 2HH1 ARG 32 -2.780 -0.760 8.683 227 2HH2 ARG 32 1HH1 ARG 32 -3.288 -0.857 10.337 228 H CYS 33 H CYS 33 -3.431 0.547 3.354 229 HA CYS 33 HA CYS 33 -2.937 -0.917 0.822 230 1HB CYS 33 2HB CYS 33 -1.721 1.427 2.195 231 2HB CYS 33 1HB CYS 33 -0.631 0.419 1.241 232 H THR 34 H THR 34 -2.462 -3.034 1.291 233 HA THR 34 HA THR 34 -0.670 -3.683 3.547 234 HB THR 34 HB THR 34 -2.056 -5.472 1.523 235 HG1 THR 34 HG1 THR 34 -3.689 -5.194 2.790 236 1HG2 THR 34 1HG2 THR 34 -1.523 -7.231 3.289 237 2HG2 THR 34 2HG2 THR 34 -0.416 -6.054 3.996 238 3HG2 THR 34 3HG2 THR 34 -0.146 -6.644 2.356 239 H CYS 35 H CYS 35 1.470 -3.418 3.153 240 HA CYS 35 HA CYS 35 2.520 -3.931 0.416 241 1HB CYS 35 2HB CYS 35 4.147 -2.749 2.651 242 2HB CYS 35 1HB CYS 35 4.312 -2.506 0.913 243 H TYR 36 H TYR 36 4.313 -5.334 0.104 244 HA TYR 36 HA TYR 36 4.762 -7.257 2.349 245 1HB TYR 36 2HB TYR 36 5.583 -8.744 0.327 246 2HB TYR 36 1HB TYR 36 3.865 -8.608 0.687 247 HD1 TYR 36 HD1 TYR 36 2.358 -7.416 -0.783 248 HD2 TYR 36 HD2 TYR 36 6.582 -7.485 -1.566 249 HE1 TYR 36 HE1 TYR 36 1.951 -6.506 -3.052 250 HE2 TYR 36 HE2 TYR 36 6.173 -6.574 -3.836 251 HH TYR 36 HH TYR 36 3.384 -6.656 -5.377 252 H ARG 37 H ARG 37 6.941 -8.184 2.512 253 HA ARG 37 HA ARG 37 9.004 -6.180 2.385 254 1HB ARG 37 2HB ARG 37 8.922 -9.110 3.046 255 2HB ARG 37 1HB ARG 37 10.481 -8.310 2.837 256 1HG ARG 37 2HG ARG 37 10.099 -6.826 4.631 257 2HG ARG 37 1HG ARG 37 8.360 -7.125 4.624 258 1HD ARG 37 2HD ARG 37 9.939 -9.562 5.048 259 2HD ARG 37 1HD ARG 37 10.186 -8.351 6.307 260 HE ARG 37 HE ARG 37 7.481 -9.398 5.555 261 1HH1 ARG 37 1HH2 ARG 37 7.545 -6.919 7.209 262 2HH1 ARG 37 2HH2 ARG 37 7.484 -7.543 8.824 263 1HH2 ARG 37 2HH1 ARG 37 8.387 -10.768 7.885 264 2HH2 ARG 37 1HH1 ARG 37 7.964 -9.734 9.208 265 H CYS 38 H CYS 38 10.987 -6.283 1.152 266 HA CYS 38 HA CYS 38 10.547 -7.301 -1.606 267 1HB CYS 38 2HB CYS 38 11.315 -4.868 -0.959 268 2HB CYS 38 1HB CYS 38 12.902 -5.619 -0.800 269 H GLY 39 HN GLY 39 11.617 -9.085 -2.306 270 1HA GLY 39 2HA GLY 39 14.050 -9.963 -0.801 271 2HA GLY 39 1HA GLY 39 12.819 -11.112 -1.326 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -8.481 4.434 3.334 2 2H GLY 1 2H GLY 1 -7.358 3.420 2.558 3 3H GLY 1 3H GLY 1 -8.264 4.539 1.654 4 1HA GLY 1 2HA GLY 1 -7.109 6.372 2.508 5 2HA GLY 1 1HA GLY 1 -6.410 5.394 3.798 6 H PHE 2 H PHE 2 -4.593 6.759 2.435 7 HA PHE 2 HA PHE 2 -2.624 6.581 1.183 8 1HB PHE 2 2HB PHE 2 -3.154 3.599 1.188 9 2HB PHE 2 1HB PHE 2 -1.597 4.412 1.053 10 HD1 PHE 2 HD1 PHE 2 -3.763 2.770 3.277 11 HD2 PHE 2 HD2 PHE 2 -1.096 6.131 3.059 12 HE1 PHE 2 HE1 PHE 2 -3.551 2.763 5.747 13 HE2 PHE 2 HE2 PHE 2 -0.883 6.122 5.530 14 HZ PHE 2 HZ PHE 2 -2.111 4.437 6.874 15 H GLY 3 H GLY 3 -5.260 6.803 -0.208 16 1HA GLY 3 2HA GLY 3 -5.931 6.977 -2.440 17 2HA GLY 3 1HA GLY 3 -4.317 6.451 -2.911 18 H CYS 4 H CYS 4 -6.902 4.824 -1.027 19 HA CYS 4 HA CYS 4 -6.578 2.469 -2.826 20 1HB CYS 4 2HB CYS 4 -7.505 2.813 0.013 21 2HB CYS 4 1HB CYS 4 -8.028 1.403 -0.907 22 HA PRO 5 HA PRO 5 -7.825 0.564 -2.768 23 1HB PRO 5 2HB PRO 5 -9.084 -0.746 -4.827 24 2HB PRO 5 1HB PRO 5 -9.718 -0.675 -3.175 25 1HG PRO 5 2HG PRO 5 -10.665 0.756 -5.605 26 2HG PRO 5 1HG PRO 5 -11.556 0.330 -4.134 27 1HD PRO 5 2HD PRO 5 -10.494 2.889 -4.783 28 2HD PRO 5 1HD PRO 5 -11.172 2.389 -3.219 29 H ASN 6 H ASN 6 -7.445 3.058 -4.784 30 HA ASN 6 HA ASN 6 -6.483 2.101 -7.260 31 1HB ASN 6 2HB ASN 6 -6.784 4.539 -6.399 32 2HB ASN 6 1HB ASN 6 -5.140 4.364 -5.789 33 1HD2 ASN 6 1HD2 ASN 6 -6.980 5.116 -8.585 34 2HD2 ASN 6 2HD2 ASN 6 -5.711 5.058 -9.711 35 H ASN 7 H ASN 7 -4.815 0.759 -7.718 36 HA ASN 7 HA ASN 7 -2.942 -0.096 -5.664 37 1HB ASN 7 2HB ASN 7 -3.185 -0.681 -8.621 38 2HB ASN 7 1HB ASN 7 -1.882 -1.340 -7.633 39 1HD2 ASN 7 1HD2 ASN 7 -5.122 -1.867 -8.616 40 2HD2 ASN 7 2HD2 ASN 7 -5.514 -3.067 -7.483 41 H TYR 8 H TYR 8 -2.855 2.196 -8.344 42 HA TYR 8 HA TYR 8 -0.003 2.562 -8.414 43 1HB TYR 8 2HB TYR 8 -1.864 3.372 -10.083 44 2HB TYR 8 1HB TYR 8 -1.947 4.780 -9.025 45 HD1 TYR 8 HD1 TYR 8 0.299 2.773 -11.201 46 HD2 TYR 8 HD2 TYR 8 -0.212 6.432 -9.007 47 HE1 TYR 8 HE1 TYR 8 2.318 3.709 -12.293 48 HE2 TYR 8 HE2 TYR 8 1.808 7.368 -10.100 49 HH TYR 8 HH TYR 8 4.065 5.973 -11.291 50 H GLN 9 H GLN 9 -2.619 4.339 -6.737 51 HA GLN 9 HA GLN 9 -0.864 6.156 -5.354 52 1HB GLN 9 2HB GLN 9 -3.642 5.205 -4.589 53 2HB GLN 9 1HB GLN 9 -2.819 6.613 -3.921 54 1HG GLN 9 2HG GLN 9 -2.732 7.634 -6.165 55 2HG GLN 9 1HG GLN 9 -3.557 6.228 -6.838 56 1HE2 GLN 9 1HE2 GLN 9 -4.004 9.027 -4.668 57 2HE2 GLN 9 2HE2 GLN 9 -5.700 8.977 -4.690 58 H CYS 10 H CYS 10 -2.379 3.060 -4.458 59 HA CYS 10 HA CYS 10 -1.389 2.889 -1.791 60 1HB CYS 10 2HB CYS 10 -3.107 1.370 -2.924 61 2HB CYS 10 1HB CYS 10 -1.742 0.534 -3.661 62 H HIS 11 H HIS 11 0.006 1.843 -4.896 63 HA HIS 11 HA HIS 11 2.351 0.596 -3.878 64 1HB HIS 11 2HB HIS 11 1.505 0.533 -6.275 65 2HB HIS 11 1HB HIS 11 2.173 2.154 -6.471 66 HD1 HIS 11 HD1 HIS 11 3.289 -1.365 -5.558 67 HD2 HIS 11 HD2 HIS 11 4.913 2.204 -6.973 68 HE1 HIS 11 HE1 HIS 11 5.706 -1.857 -6.137 69 H ARG 12 H ARG 12 1.695 3.994 -4.735 70 HA ARG 12 HA ARG 12 4.328 5.008 -4.329 71 1HB ARG 12 2HB ARG 12 2.159 6.161 -5.270 72 2HB ARG 12 1HB ARG 12 1.888 6.605 -3.585 73 1HG ARG 12 2HG ARG 12 4.613 7.076 -4.719 74 2HG ARG 12 1HG ARG 12 3.315 8.159 -5.225 75 1HD ARG 12 2HD ARG 12 2.781 8.273 -2.655 76 2HD ARG 12 1HD ARG 12 4.445 7.717 -2.474 77 HE ARG 12 HE ARG 12 3.671 10.262 -3.844 78 1HH1 ARG 12 1HH2 ARG 12 4.807 10.594 -1.175 79 2HH1 ARG 12 2HH2 ARG 12 6.506 10.755 -1.471 80 1HH2 ARG 12 2HH1 ARG 12 6.333 9.443 -4.687 81 2HH2 ARG 12 1HH1 ARG 12 7.374 10.099 -3.468 82 H HIS 13 H HIS 13 1.606 4.571 -2.066 83 HA HIS 13 HA HIS 13 2.923 5.691 0.229 84 1HB HIS 13 2HB HIS 13 0.510 5.413 0.238 85 2HB HIS 13 1HB HIS 13 0.666 3.675 -0.010 86 HD1 HIS 13 HD1 HIS 13 2.079 6.171 2.524 87 HD2 HIS 13 HD2 HIS 13 0.369 2.373 2.394 88 HE1 HIS 13 HE1 HIS 13 2.001 5.338 4.915 89 H CYS 14 H CYS 14 2.596 2.322 -0.939 90 HA CYS 14 HA CYS 14 4.105 1.149 1.209 91 1HB CYS 14 2HB CYS 14 3.466 0.216 -1.596 92 2HB CYS 14 1HB CYS 14 4.400 -0.764 -0.466 93 H LYS 15 H LYS 15 5.026 2.518 -1.927 94 HA LYS 15 HA LYS 15 7.750 1.613 -1.918 95 1HB LYS 15 2HB LYS 15 6.231 3.766 -3.350 96 2HB LYS 15 1HB LYS 15 7.993 3.776 -3.420 97 1HG LYS 15 2HG LYS 15 7.423 1.124 -3.886 98 2HG LYS 15 1HG LYS 15 6.077 1.935 -4.688 99 1HD LYS 15 2HD LYS 15 7.409 2.575 -6.384 100 2HD LYS 15 1HD LYS 15 8.529 3.344 -5.261 101 1HE LYS 15 2HE LYS 15 8.974 0.599 -4.920 102 2HE LYS 15 1HE LYS 15 8.785 0.804 -6.661 103 1HZ LYS 15 1HZ LYS 15 11.090 1.112 -5.862 104 2HZ LYS 15 2HZ LYS 15 10.579 2.465 -4.972 105 3HZ LYS 15 3HZ LYS 15 10.476 2.472 -6.668 106 H SER 16 H SER 16 6.201 4.573 -0.641 107 HA SER 16 HA SER 16 8.635 5.894 0.098 108 1HB SER 16 2HB SER 16 7.253 7.327 1.480 109 2HB SER 16 1HB SER 16 6.382 6.997 -0.012 110 HG SER 16 HG SER 16 5.872 6.181 2.595 111 H ILE 17 H ILE 17 6.774 3.335 1.622 112 HA ILE 17 HA ILE 17 8.161 3.536 4.190 113 HB ILE 17 HB ILE 17 6.487 1.268 3.052 114 1HG1 ILE 17 2HG1 ILE 17 5.510 3.180 5.143 115 2HG1 ILE 17 1HG1 ILE 17 5.514 3.718 3.463 116 1HG2 ILE 17 1HG2 ILE 17 7.875 0.505 4.892 117 2HG2 ILE 17 2HG2 ILE 17 6.225 0.692 5.486 118 3HG2 ILE 17 3HG2 ILE 17 7.440 1.915 5.859 119 1HD1 ILE 17 1HD1 ILE 17 3.972 1.470 4.724 120 2HD1 ILE 17 2HD1 ILE 17 4.377 1.393 3.009 121 3HD1 ILE 17 3HD1 ILE 17 3.408 2.729 3.627 122 HA PRO 18 HA PRO 18 11.696 1.287 2.717 123 1HB PRO 18 2HB PRO 18 12.954 1.114 5.156 124 2HB PRO 18 1HB PRO 18 12.951 2.573 4.151 125 1HG PRO 18 2HG PRO 18 11.414 2.008 6.645 126 2HG PRO 18 1HG PRO 18 11.947 3.563 5.982 127 1HD PRO 18 2HD PRO 18 9.330 2.506 5.815 128 2HD PRO 18 1HD PRO 18 9.964 3.872 4.874 129 H GLY 19 H GLY 19 12.411 -0.883 2.733 130 1HA GLY 19 2HA GLY 19 12.558 -3.135 3.530 131 2HA GLY 19 1HA GLY 19 11.375 -2.748 4.778 132 H ARG 20 H ARG 20 9.988 -1.470 2.097 133 HA ARG 20 HA ARG 20 8.655 -4.047 1.367 134 1HB ARG 20 2HB ARG 20 7.243 -1.401 1.154 135 2HB ARG 20 1HB ARG 20 6.555 -3.012 1.330 136 1HG ARG 20 2HG ARG 20 8.261 -1.963 3.557 137 2HG ARG 20 1HG ARG 20 6.630 -1.319 3.382 138 1HD ARG 20 2HD ARG 20 5.950 -3.848 3.177 139 2HD ARG 20 1HD ARG 20 7.495 -4.134 3.976 140 HE ARG 20 HE ARG 20 6.634 -2.610 5.818 141 1HH1 ARG 20 1HH2 ARG 20 5.148 -5.290 5.610 142 2HH1 ARG 20 2HH2 ARG 20 3.507 -4.767 5.781 143 1HH2 ARG 20 2HH1 ARG 20 4.237 -1.418 5.186 144 2HH2 ARG 20 1HH1 ARG 20 2.991 -2.562 5.553 145 H CYS 21 H CYS 21 8.206 -4.359 -0.841 146 HA CYS 21 HA CYS 21 9.640 -2.506 -2.677 147 1HB CYS 21 2HB CYS 21 9.317 -5.362 -2.564 148 2HB CYS 21 1HB CYS 21 8.659 -4.770 -4.089 149 H GLY 22 H GLY 22 6.503 -4.191 -2.367 150 1HA GLY 22 2HA GLY 22 5.241 -1.942 -3.837 151 2HA GLY 22 1HA GLY 22 4.957 -3.579 -4.419 152 H GLY 23 H GLY 23 2.656 -2.707 -3.866 153 1HA GLY 23 2HA GLY 23 1.781 -4.048 -1.456 154 2HA GLY 23 1HA GLY 23 1.692 -2.299 -1.275 155 H TYR 24 H TYR 24 -0.619 -3.741 -1.123 156 HA TYR 24 HA TYR 24 -2.083 -2.808 -3.530 157 1HB TYR 24 2HB TYR 24 -3.274 -4.910 -3.788 158 2HB TYR 24 1HB TYR 24 -1.543 -5.241 -3.856 159 HD1 TYR 24 HD1 TYR 24 -0.374 -6.228 -1.880 160 HD2 TYR 24 HD2 TYR 24 -4.639 -5.729 -1.981 161 HE1 TYR 24 HE1 TYR 24 -0.603 -7.792 0.030 162 HE2 TYR 24 HE2 TYR 24 -4.868 -7.293 -0.073 163 HH TYR 24 HH TYR 24 -2.716 -8.022 1.973 164 H CYS 25 H CYS 25 -4.455 -2.691 -3.105 165 HA CYS 25 HA CYS 25 -4.963 -1.906 -0.300 166 1HB CYS 25 2HB CYS 25 -6.656 -1.653 -2.806 167 2HB CYS 25 1HB CYS 25 -7.127 -1.053 -1.216 168 H GLY 26 H GLY 26 -5.913 -3.307 1.104 169 1HA GLY 26 2HA GLY 26 -8.149 -4.974 0.463 170 2HA GLY 26 1HA GLY 26 -6.686 -5.953 0.418 171 H GLY 27 H GLY 27 -9.096 -5.648 2.366 172 1HA GLY 27 2HA GLY 27 -8.512 -6.675 4.668 173 2HA GLY 27 1HA GLY 27 -7.522 -5.231 4.873 174 H TRP 28 H TRP 28 -8.541 -3.238 5.270 175 HA TRP 28 HA TRP 28 -11.254 -3.428 6.371 176 1HB TRP 28 2HB TRP 28 -9.413 -2.109 7.470 177 2HB TRP 28 1HB TRP 28 -9.472 -0.986 6.113 178 HD1 TRP 28 HD1 TRP 28 -11.685 -2.320 8.968 179 HE1 TRP 28 HE1 TRP 28 -13.467 -0.541 9.513 180 HE3 TRP 28 HE3 TRP 28 -10.729 1.057 5.258 181 HZ2 TRP 28 HZ2 TRP 28 -14.367 1.980 8.513 182 HZ3 TRP 28 HZ3 TRP 28 -12.061 3.138 5.081 183 HH2 TRP 28 HH2 TRP 28 -13.880 3.603 6.700 184 H HIS 29 H HIS 29 -12.609 -3.724 4.569 185 HA HIS 29 HA HIS 29 -13.903 -3.106 2.720 186 1HB HIS 29 2HB HIS 29 -13.096 -0.292 3.524 187 2HB HIS 29 1HB HIS 29 -14.510 -0.751 2.582 188 HD1 HIS 29 HD1 HIS 29 -14.492 0.691 5.468 189 HD2 HIS 29 HD2 HIS 29 -15.292 -3.328 4.715 190 HE1 HIS 29 HE1 HIS 29 -15.816 -0.160 7.453 191 H ARG 30 H ARG 30 -11.014 -3.616 2.362 192 HA ARG 30 HA ARG 30 -9.370 -3.454 0.718 193 1HB ARG 30 2HB ARG 30 -11.369 -4.059 -0.696 194 2HB ARG 30 1HB ARG 30 -11.601 -2.337 -1.004 195 1HG ARG 30 2HG ARG 30 -9.751 -2.186 -2.352 196 2HG ARG 30 1HG ARG 30 -8.863 -3.407 -1.447 197 1HD ARG 30 2HD ARG 30 -10.788 -4.980 -2.449 198 2HD ARG 30 1HD ARG 30 -10.781 -3.738 -3.702 199 HE ARG 30 HE ARG 30 -8.130 -4.801 -2.967 200 1HH1 ARG 30 1HH2 ARG 30 -9.125 -3.509 -5.605 201 2HH1 ARG 30 2HH2 ARG 30 -9.077 -4.882 -6.660 202 1HH2 ARG 30 2HH1 ARG 30 -8.826 -7.191 -4.071 203 2HH2 ARG 30 1HH1 ARG 30 -8.904 -6.974 -5.788 204 H LEU 31 H LEU 31 -9.801 -1.184 2.527 205 HA LEU 31 HA LEU 31 -8.896 1.069 0.789 206 1HB LEU 31 2HB LEU 31 -10.259 1.062 3.492 207 2HB LEU 31 1HB LEU 31 -9.557 2.508 2.767 208 HG LEU 31 HG LEU 31 -11.544 0.808 1.258 209 1HD1 LEU 31 1HD1 LEU 31 -13.322 2.294 2.039 210 2HD1 LEU 31 2HD1 LEU 31 -12.172 3.180 3.042 211 3HD1 LEU 31 3HD1 LEU 31 -12.563 1.502 3.420 212 1HD2 LEU 31 1HD2 LEU 31 -10.876 3.764 1.100 213 2HD2 LEU 31 2HD2 LEU 31 -11.857 2.835 -0.033 214 3HD2 LEU 31 3HD2 LEU 31 -10.125 2.532 0.084 215 H ARG 32 H ARG 32 -7.924 -1.125 3.287 216 HA ARG 32 HA ARG 32 -5.753 0.563 4.303 217 1HB ARG 32 2HB ARG 32 -7.077 -1.467 5.445 218 2HB ARG 32 1HB ARG 32 -5.766 -2.397 4.719 219 1HG ARG 32 2HG ARG 32 -4.162 -0.719 5.780 220 2HG ARG 32 1HG ARG 32 -5.544 -0.115 6.694 221 1HD ARG 32 2HD ARG 32 -5.305 -1.787 8.176 222 2HD ARG 32 1HD ARG 32 -5.536 -2.970 6.888 223 HE ARG 32 HE ARG 32 -2.928 -2.024 7.926 224 1HH1 ARG 32 1HH2 ARG 32 -3.743 -4.926 7.697 225 2HH1 ARG 32 2HH2 ARG 32 -2.873 -5.424 6.284 226 1HH2 ARG 32 2HH1 ARG 32 -2.226 -2.187 5.214 227 2HH2 ARG 32 1HH1 ARG 32 -2.020 -3.874 4.878 228 H CYS 33 H CYS 33 -3.616 0.480 3.631 229 HA CYS 33 HA CYS 33 -3.088 -0.983 1.112 230 1HB CYS 33 2HB CYS 33 -1.917 1.370 2.500 231 2HB CYS 33 1HB CYS 33 -0.801 0.387 1.553 232 H THR 34 H THR 34 -2.270 -2.994 1.274 233 HA THR 34 HA THR 34 -0.577 -3.696 3.616 234 HB THR 34 HB THR 34 -1.928 -5.456 1.544 235 HG1 THR 34 HG1 THR 34 -3.559 -5.185 2.818 236 1HG2 THR 34 1HG2 THR 34 0.018 -5.980 3.727 237 2HG2 THR 34 2HG2 THR 34 -0.263 -6.872 2.233 238 3HG2 THR 34 3HG2 THR 34 -1.340 -7.097 3.611 239 H CYS 35 H CYS 35 1.557 -3.382 3.238 240 HA CYS 35 HA CYS 35 2.620 -3.751 0.484 241 1HB CYS 35 2HB CYS 35 4.261 -2.731 2.788 242 2HB CYS 35 1HB CYS 35 4.407 -2.361 1.071 243 H TYR 36 H TYR 36 4.231 -5.273 0.037 244 HA TYR 36 HA TYR 36 4.682 -7.299 2.179 245 1HB TYR 36 2HB TYR 36 5.569 -8.637 0.071 246 2HB TYR 36 1HB TYR 36 3.845 -8.537 0.411 247 HD1 TYR 36 HD1 TYR 36 2.358 -7.210 -0.977 248 HD2 TYR 36 HD2 TYR 36 6.587 -7.290 -1.731 249 HE1 TYR 36 HE1 TYR 36 1.985 -6.147 -3.186 250 HE2 TYR 36 HE2 TYR 36 6.212 -6.227 -3.939 251 HH TYR 36 HH TYR 36 3.457 -6.171 -5.511 252 H ARG 37 H ARG 37 6.848 -8.293 2.296 253 HA ARG 37 HA ARG 37 8.935 -6.261 2.295 254 1HB ARG 37 2HB ARG 37 9.049 -9.242 2.857 255 2HB ARG 37 1HB ARG 37 10.370 -8.110 3.147 256 1HG ARG 37 2HG ARG 37 7.912 -7.122 4.328 257 2HG ARG 37 1HG ARG 37 8.272 -8.746 4.916 258 1HD ARG 37 2HD ARG 37 10.541 -8.039 5.537 259 2HD ARG 37 1HD ARG 37 10.223 -6.423 4.907 260 HE ARG 37 HE ARG 37 9.287 -7.486 7.464 261 1HH1 ARG 37 1HH2 ARG 37 10.017 -4.639 6.090 262 2HH1 ARG 37 2HH2 ARG 37 8.577 -3.787 6.533 263 1HH2 ARG 37 2HH1 ARG 37 6.879 -6.644 7.547 264 2HH2 ARG 37 1HH1 ARG 37 6.800 -4.922 7.374 265 H CYS 38 H CYS 38 10.809 -6.212 0.996 266 HA CYS 38 HA CYS 38 10.509 -7.517 -1.645 267 1HB CYS 38 2HB CYS 38 11.152 -5.006 -1.174 268 2HB CYS 38 1HB CYS 38 12.772 -5.668 -0.952 269 H GLY 39 HN GLY 39 11.608 -9.343 -2.123 270 1HA GLY 39 2HA GLY 39 13.727 -10.286 -0.286 271 2HA GLY 39 1HA GLY 39 12.948 -11.246 -1.545 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -8.363 4.752 1.555 2 2H GLY 1 2H GLY 1 -8.588 4.445 3.211 3 3H GLY 1 3H GLY 1 -7.512 3.488 2.307 4 1HA GLY 1 2HA GLY 1 -7.107 6.405 2.564 5 2HA GLY 1 1HA GLY 1 -6.524 5.294 3.801 6 H PHE 2 H PHE 2 -4.592 6.675 2.583 7 HA PHE 2 HA PHE 2 -2.590 6.479 1.381 8 1HB PHE 2 2HB PHE 2 -3.154 3.525 1.127 9 2HB PHE 2 1HB PHE 2 -1.599 4.335 1.300 10 HD1 PHE 2 HD1 PHE 2 -1.366 5.795 3.535 11 HD2 PHE 2 HD2 PHE 2 -4.077 2.505 3.004 12 HE1 PHE 2 HE1 PHE 2 -1.502 5.509 5.994 13 HE2 PHE 2 HE2 PHE 2 -4.211 2.218 5.463 14 HZ PHE 2 HZ PHE 2 -2.925 3.720 6.958 15 H GLY 3 H GLY 3 -5.189 6.830 -0.086 16 1HA GLY 3 2HA GLY 3 -5.771 7.114 -2.335 17 2HA GLY 3 1HA GLY 3 -4.161 6.543 -2.771 18 H CYS 4 H CYS 4 -6.761 4.888 -0.946 19 HA CYS 4 HA CYS 4 -6.519 2.618 -2.859 20 1HB CYS 4 2HB CYS 4 -7.397 2.860 0.005 21 2HB CYS 4 1HB CYS 4 -7.976 1.506 -0.964 22 HA PRO 5 HA PRO 5 -7.831 0.716 -2.796 23 1HB PRO 5 2HB PRO 5 -9.148 -0.524 -4.860 24 2HB PRO 5 1HB PRO 5 -9.761 -0.463 -3.199 25 1HG PRO 5 2HG PRO 5 -10.694 1.034 -5.596 26 2HG PRO 5 1HG PRO 5 -11.581 0.608 -4.124 27 1HD PRO 5 2HD PRO 5 -10.458 3.149 -4.739 28 2HD PRO 5 1HD PRO 5 -11.129 2.639 -3.175 29 H ASN 6 H ASN 6 -7.399 3.230 -4.787 30 HA ASN 6 HA ASN 6 -6.464 2.206 -7.269 31 1HB ASN 6 2HB ASN 6 -6.814 4.662 -6.547 32 2HB ASN 6 1HB ASN 6 -5.197 4.555 -5.853 33 1HD2 ASN 6 1HD2 ASN 6 -6.952 5.006 -8.804 34 2HD2 ASN 6 2HD2 ASN 6 -5.616 4.976 -9.850 35 H ASN 7 H ASN 7 -4.699 0.993 -7.755 36 HA ASN 7 HA ASN 7 -2.853 0.187 -5.642 37 1HB ASN 7 2HB ASN 7 -3.044 -0.483 -8.585 38 2HB ASN 7 1HB ASN 7 -1.771 -1.118 -7.542 39 1HD2 ASN 7 1HD2 ASN 7 -4.886 -1.790 -8.682 40 2HD2 ASN 7 2HD2 ASN 7 -5.359 -2.898 -7.487 41 H TYR 8 H TYR 8 -2.801 2.509 -8.280 42 HA TYR 8 HA TYR 8 0.057 2.844 -8.414 43 1HB TYR 8 2HB TYR 8 -1.970 3.761 -9.931 44 2HB TYR 8 1HB TYR 8 -1.741 5.177 -8.908 45 HD1 TYR 8 HD1 TYR 8 -0.487 3.287 -11.701 46 HD2 TYR 8 HD2 TYR 8 0.620 6.167 -8.712 47 HE1 TYR 8 HE1 TYR 8 1.490 3.927 -13.052 48 HE2 TYR 8 HE2 TYR 8 2.599 6.808 -10.063 49 HH TYR 8 HH TYR 8 3.756 4.965 -12.619 50 H GLN 9 H GLN 9 -2.504 4.675 -6.708 51 HA GLN 9 HA GLN 9 -0.683 6.369 -5.252 52 1HB GLN 9 2HB GLN 9 -3.529 5.546 -4.580 53 2HB GLN 9 1HB GLN 9 -2.649 6.878 -3.834 54 1HG GLN 9 2HG GLN 9 -2.928 6.782 -6.826 55 2HG GLN 9 1HG GLN 9 -4.271 7.368 -5.845 56 1HE2 GLN 9 1HE2 GLN 9 -3.823 9.280 -4.419 57 2HE2 GLN 9 2HE2 GLN 9 -2.566 10.347 -4.826 58 H CYS 10 H CYS 10 -2.284 3.277 -4.546 59 HA CYS 10 HA CYS 10 -1.433 2.973 -1.841 60 1HB CYS 10 2HB CYS 10 -3.117 1.541 -3.137 61 2HB CYS 10 1HB CYS 10 -1.726 0.713 -3.835 62 H HIS 11 H HIS 11 0.089 2.044 -4.922 63 HA HIS 11 HA HIS 11 2.365 0.709 -3.861 64 1HB HIS 11 2HB HIS 11 1.644 0.757 -6.287 65 2HB HIS 11 1HB HIS 11 2.302 2.391 -6.382 66 HD1 HIS 11 HD1 HIS 11 3.431 -1.145 -5.545 67 HD2 HIS 11 HD2 HIS 11 5.045 2.483 -6.807 68 HE1 HIS 11 HE1 HIS 11 5.872 -1.587 -6.056 69 H ARG 12 H ARG 12 1.785 4.154 -4.561 70 HA ARG 12 HA ARG 12 4.411 5.107 -3.982 71 1HB ARG 12 2HB ARG 12 2.115 6.287 -4.846 72 2HB ARG 12 1HB ARG 12 2.132 6.827 -3.167 73 1HG ARG 12 2HG ARG 12 4.279 7.848 -3.415 74 2HG ARG 12 1HG ARG 12 4.552 7.059 -4.969 75 1HD ARG 12 2HD ARG 12 2.170 8.858 -4.643 76 2HD ARG 12 1HD ARG 12 3.760 9.575 -4.893 77 HE ARG 12 HE ARG 12 2.179 8.256 -6.918 78 1HH1 ARG 12 2HH1 ARG 12 4.357 10.346 -7.322 79 2HH1 ARG 12 1HH1 ARG 12 5.556 9.428 -8.170 80 1HH2 ARG 12 1HH2 ARG 12 4.159 6.353 -7.330 81 2HH2 ARG 12 2HH2 ARG 12 5.444 7.152 -8.175 82 H HIS 13 H HIS 13 1.559 4.640 -1.880 83 HA HIS 13 HA HIS 13 2.768 5.604 0.529 84 1HB HIS 13 2HB HIS 13 0.348 5.291 0.375 85 2HB HIS 13 1HB HIS 13 0.559 3.560 0.117 86 HD1 HIS 13 HD1 HIS 13 1.691 6.099 2.748 87 HD2 HIS 13 HD2 HIS 13 0.289 2.184 2.486 88 HE1 HIS 13 HE1 HIS 13 1.542 5.231 5.123 89 H CYS 14 H CYS 14 2.531 2.317 -0.857 90 HA CYS 14 HA CYS 14 3.929 1.005 1.279 91 1HB CYS 14 2HB CYS 14 3.419 0.289 -1.610 92 2HB CYS 14 1HB CYS 14 4.359 -0.761 -0.548 93 H LYS 15 H LYS 15 5.024 2.495 -1.757 94 HA LYS 15 HA LYS 15 7.765 1.665 -1.557 95 1HB LYS 15 2HB LYS 15 6.301 3.807 -3.067 96 2HB LYS 15 1HB LYS 15 8.064 3.841 -3.018 97 1HG LYS 15 2HG LYS 15 7.648 1.212 -3.576 98 2HG LYS 15 1HG LYS 15 6.247 1.928 -4.371 99 1HD LYS 15 2HD LYS 15 7.512 2.886 -5.992 100 2HD LYS 15 1HD LYS 15 8.744 3.408 -4.844 101 1HE LYS 15 2HE LYS 15 8.477 0.502 -5.605 102 2HE LYS 15 1HE LYS 15 9.403 1.617 -6.607 103 1HZ LYS 15 1HZ LYS 15 10.842 0.562 -5.015 104 2HZ LYS 15 2HZ LYS 15 9.849 1.049 -3.724 105 3HZ LYS 15 3HZ LYS 15 10.703 2.209 -4.626 106 H SER 16 H SER 16 6.020 4.540 -0.359 107 HA SER 16 HA SER 16 8.295 5.987 0.567 108 1HB SER 16 2HB SER 16 6.765 7.294 1.862 109 2HB SER 16 1HB SER 16 5.893 6.831 0.406 110 HG SER 16 HG SER 16 4.862 5.219 1.585 111 H ILE 17 H ILE 17 6.573 3.233 1.913 112 HA ILE 17 HA ILE 17 7.899 3.416 4.523 113 HB ILE 17 HB ILE 17 6.300 1.146 3.290 114 1HG1 ILE 17 2HG1 ILE 17 5.239 2.925 5.448 115 2HG1 ILE 17 1HG1 ILE 17 5.278 3.569 3.807 116 1HG2 ILE 17 1HG2 ILE 17 6.019 0.526 5.737 117 2HG2 ILE 17 2HG2 ILE 17 7.278 1.704 6.102 118 3HG2 ILE 17 3HG2 ILE 17 7.646 0.304 5.096 119 1HD1 ILE 17 1HD1 ILE 17 3.182 2.534 3.871 120 2HD1 ILE 17 2HD1 ILE 17 3.762 1.200 4.867 121 3HD1 ILE 17 3HD1 ILE 17 4.190 1.276 3.159 122 HA PRO 18 HA PRO 18 11.514 1.324 2.999 123 1HB PRO 18 2HB PRO 18 12.782 1.166 5.435 124 2HB PRO 18 1HB PRO 18 12.725 2.638 4.450 125 1HG PRO 18 2HG PRO 18 11.215 1.985 6.938 126 2HG PRO 18 1HG PRO 18 11.688 3.567 6.294 127 1HD PRO 18 2HD PRO 18 9.112 2.412 6.118 128 2HD PRO 18 1HD PRO 18 9.690 3.817 5.197 129 H GLY 19 H GLY 19 12.121 -0.841 2.849 130 1HA GLY 19 2HA GLY 19 12.413 -3.081 3.745 131 2HA GLY 19 1HA GLY 19 11.132 -2.751 4.908 132 H ARG 20 H ARG 20 9.648 -1.482 2.420 133 HA ARG 20 HA ARG 20 8.584 -4.096 1.436 134 1HB ARG 20 2HB ARG 20 7.044 -1.513 1.304 135 2HB ARG 20 1HB ARG 20 6.430 -3.164 1.312 136 1HG ARG 20 2HG ARG 20 7.941 -2.123 3.700 137 2HG ARG 20 1HG ARG 20 6.241 -1.714 3.488 138 1HD ARG 20 2HD ARG 20 6.440 -4.485 2.967 139 2HD ARG 20 1HD ARG 20 7.404 -4.195 4.412 140 HE ARG 20 HE ARG 20 4.629 -4.342 4.477 141 1HH1 ARG 20 2HH1 ARG 20 6.118 -3.739 6.962 142 2HH1 ARG 20 1HH1 ARG 20 5.566 -2.149 7.366 143 1HH2 ARG 20 1HH2 ARG 20 4.297 -1.496 4.199 144 2HH2 ARG 20 2HH2 ARG 20 4.538 -0.871 5.794 145 H CYS 21 H CYS 21 8.182 -4.331 -0.792 146 HA CYS 21 HA CYS 21 9.632 -2.390 -2.521 147 1HB CYS 21 2HB CYS 21 9.381 -5.240 -2.507 148 2HB CYS 21 1HB CYS 21 8.671 -4.639 -4.005 149 H GLY 22 H GLY 22 6.555 -4.229 -2.530 150 1HA GLY 22 2HA GLY 22 5.277 -1.904 -3.888 151 2HA GLY 22 1HA GLY 22 5.026 -3.531 -4.515 152 H GLY 23 H GLY 23 2.702 -2.689 -3.987 153 1HA GLY 23 2HA GLY 23 1.780 -4.117 -1.652 154 2HA GLY 23 1HA GLY 23 1.704 -2.378 -1.386 155 H TYR 24 H TYR 24 -0.623 -3.814 -1.348 156 HA TYR 24 HA TYR 24 -2.022 -2.761 -3.749 157 1HB TYR 24 2HB TYR 24 -3.303 -4.834 -4.016 158 2HB TYR 24 1HB TYR 24 -1.581 -5.179 -4.161 159 HD1 TYR 24 HD1 TYR 24 -4.610 -5.704 -2.188 160 HD2 TYR 24 HD2 TYR 24 -0.346 -6.235 -2.264 161 HE1 TYR 24 HE1 TYR 24 -4.778 -7.332 -0.325 162 HE2 TYR 24 HE2 TYR 24 -0.516 -7.862 -0.402 163 HH TYR 24 HH TYR 24 -2.758 -8.121 1.617 164 H CYS 25 H CYS 25 -4.387 -2.555 -3.361 165 HA CYS 25 HA CYS 25 -4.911 -1.772 -0.568 166 1HB CYS 25 2HB CYS 25 -6.541 -1.515 -3.110 167 2HB CYS 25 1HB CYS 25 -7.105 -0.973 -1.529 168 H GLY 26 H GLY 26 -5.631 -3.307 0.817 169 1HA GLY 26 2HA GLY 26 -7.988 -4.862 0.342 170 2HA GLY 26 1HA GLY 26 -6.571 -5.881 0.095 171 H GLY 27 H GLY 27 -8.743 -5.605 2.305 172 1HA GLY 27 2HA GLY 27 -7.868 -6.748 4.485 173 2HA GLY 27 1HA GLY 27 -6.930 -5.264 4.650 174 H TRP 28 H TRP 28 -8.048 -3.287 5.069 175 HA TRP 28 HA TRP 28 -10.616 -3.669 6.463 176 1HB TRP 28 2HB TRP 28 -8.768 -2.299 7.460 177 2HB TRP 28 1HB TRP 28 -8.964 -1.144 6.143 178 HD1 TRP 28 HD1 TRP 28 -10.897 -2.616 9.128 179 HE1 TRP 28 HE1 TRP 28 -12.709 -0.928 9.838 180 HE3 TRP 28 HE3 TRP 28 -10.382 0.849 5.412 181 HZ2 TRP 28 HZ2 TRP 28 -13.795 1.563 8.952 182 HZ3 TRP 28 HZ3 TRP 28 -11.818 2.869 5.371 183 HH2 TRP 28 HH2 TRP 28 -13.523 3.228 7.133 184 H HIS 29 H HIS 29 -12.118 -3.970 4.797 185 HA HIS 29 HA HIS 29 -13.614 -3.362 3.109 186 1HB HIS 29 2HB HIS 29 -12.855 -0.548 3.958 187 2HB HIS 29 1HB HIS 29 -14.318 -1.019 3.099 188 HD1 HIS 29 HD1 HIS 29 -14.182 0.290 6.031 189 HD2 HIS 29 HD2 HIS 29 -14.792 -3.740 5.166 190 HE1 HIS 29 HE1 HIS 29 -15.302 -0.719 8.067 191 H ARG 30 H ARG 30 -10.756 -3.718 2.412 192 HA ARG 30 HA ARG 30 -9.355 -3.455 0.554 193 1HB ARG 30 2HB ARG 30 -11.613 -3.953 -0.555 194 2HB ARG 30 1HB ARG 30 -11.747 -2.215 -0.820 195 1HG ARG 30 2HG ARG 30 -9.800 -2.175 -2.204 196 2HG ARG 30 1HG ARG 30 -9.333 -3.804 -1.715 197 1HD ARG 30 2HD ARG 30 -11.391 -4.693 -2.790 198 2HD ARG 30 1HD ARG 30 -11.791 -3.063 -3.330 199 HE ARG 30 HE ARG 30 -9.335 -3.328 -4.411 200 1HH1 ARG 30 2HH1 ARG 30 -9.457 -6.296 -4.092 201 2HH1 ARG 30 1HH1 ARG 30 -10.167 -6.802 -5.587 202 1HH2 ARG 30 1HH2 ARG 30 -11.354 -3.635 -6.394 203 2HH2 ARG 30 2HH2 ARG 30 -11.247 -5.289 -6.897 204 H LEU 31 H LEU 31 -9.729 -1.212 2.539 205 HA LEU 31 HA LEU 31 -8.967 1.086 0.790 206 1HB LEU 31 2HB LEU 31 -10.225 1.003 3.539 207 2HB LEU 31 1HB LEU 31 -9.573 2.478 2.827 208 HG LEU 31 HG LEU 31 -11.624 0.763 1.408 209 1HD1 LEU 31 1HD1 LEU 31 -12.543 1.547 3.573 210 2HD1 LEU 31 2HD1 LEU 31 -13.323 2.345 2.208 211 3HD1 LEU 31 3HD1 LEU 31 -12.102 3.200 3.150 212 1HD2 LEU 31 1HD2 LEU 31 -12.006 2.890 0.169 213 2HD2 LEU 31 2HD2 LEU 31 -10.346 2.321 0.003 214 3HD2 LEU 31 3HD2 LEU 31 -10.718 3.647 1.105 215 H ARG 32 H ARG 32 -7.692 -1.172 3.016 216 HA ARG 32 HA ARG 32 -5.595 0.661 4.009 217 1HB ARG 32 2HB ARG 32 -6.700 -1.186 5.419 218 2HB ARG 32 1HB ARG 32 -5.741 -2.323 4.470 219 1HG ARG 32 2HG ARG 32 -3.996 -1.930 5.837 220 2HG ARG 32 1HG ARG 32 -3.966 -0.264 5.261 221 1HD ARG 32 2HD ARG 32 -4.170 -0.332 7.717 222 2HD ARG 32 1HD ARG 32 -5.615 0.366 6.990 223 HE ARG 32 HE ARG 32 -6.818 -1.670 7.521 224 1HH1 ARG 32 2HH1 ARG 32 -4.336 -3.462 7.251 225 2HH1 ARG 32 1HH1 ARG 32 -4.129 -3.980 8.890 226 1HH2 ARG 32 1HH2 ARG 32 -6.225 -1.533 10.200 227 2HH2 ARG 32 2HH2 ARG 32 -5.204 -2.883 10.570 228 H CYS 33 H CYS 33 -3.401 0.465 3.425 229 HA CYS 33 HA CYS 33 -2.929 -0.894 0.835 230 1HB CYS 33 2HB CYS 33 -1.658 1.351 2.327 231 2HB CYS 33 1HB CYS 33 -0.608 0.382 1.293 232 H THR 34 H THR 34 -2.439 -3.030 1.166 233 HA THR 34 HA THR 34 -0.698 -3.813 3.422 234 HB THR 34 HB THR 34 -2.060 -5.474 1.275 235 HG1 THR 34 HG1 THR 34 -3.699 -5.183 2.541 236 1HG2 THR 34 1HG2 THR 34 -0.626 -7.088 1.937 237 2HG2 THR 34 2HG2 THR 34 -1.477 -7.076 3.482 238 3HG2 THR 34 3HG2 THR 34 -0.022 -6.102 3.268 239 H CYS 35 H CYS 35 1.453 -3.541 3.088 240 HA CYS 35 HA CYS 35 2.556 -3.907 0.346 241 1HB CYS 35 2HB CYS 35 4.177 -2.877 2.651 242 2HB CYS 35 1HB CYS 35 4.312 -2.493 0.937 243 H TYR 36 H TYR 36 4.519 -5.181 0.082 244 HA TYR 36 HA TYR 36 4.869 -7.253 2.213 245 1HB TYR 36 2HB TYR 36 5.667 -8.669 0.128 246 2HB TYR 36 1HB TYR 36 3.951 -8.531 0.504 247 HD1 TYR 36 HD1 TYR 36 6.666 -7.359 -1.724 248 HD2 TYR 36 HD2 TYR 36 2.449 -7.250 -0.903 249 HE1 TYR 36 HE1 TYR 36 6.256 -6.350 -3.952 250 HE2 TYR 36 HE2 TYR 36 2.042 -6.240 -3.130 251 HH TYR 36 HH TYR 36 3.547 -6.351 -5.502 252 H ARG 37 H ARG 37 7.031 -8.123 2.446 253 HA ARG 37 HA ARG 37 9.104 -6.136 2.252 254 1HB ARG 37 2HB ARG 37 9.048 -9.048 3.008 255 2HB ARG 37 1HB ARG 37 10.579 -8.183 2.868 256 1HG ARG 37 2HG ARG 37 10.264 -7.212 4.869 257 2HG ARG 37 1HG ARG 37 8.707 -6.571 4.350 258 1HD ARG 37 2HD ARG 37 7.750 -8.895 4.813 259 2HD ARG 37 1HD ARG 37 9.276 -9.258 5.619 260 HE ARG 37 HE ARG 37 7.185 -7.443 6.613 261 1HH1 ARG 37 1HH2 ARG 37 8.717 -9.511 8.229 262 2HH1 ARG 37 2HH2 ARG 37 9.758 -8.504 9.178 263 1HH2 ARG 37 2HH1 ARG 37 9.280 -5.691 7.191 264 2HH2 ARG 37 1HH1 ARG 37 10.078 -6.332 8.587 265 H CYS 38 H CYS 38 10.966 -6.120 0.942 266 HA CYS 38 HA CYS 38 10.602 -7.371 -1.718 267 1HB CYS 38 2HB CYS 38 11.319 -4.878 -1.168 268 2HB CYS 38 1HB CYS 38 12.924 -5.599 -1.044 269 H GLY 39 HN GLY 39 11.803 -9.101 -2.383 270 1HA GLY 39 2HA GLY 39 13.795 -10.224 -0.506 271 2HA GLY 39 1HA GLY 39 13.106 -11.056 -1.901 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -8.274 4.696 1.716 2 2H GLY 1 2H GLY 1 -8.430 4.608 3.406 3 3H GLY 1 3H GLY 1 -7.380 3.547 2.589 4 1HA GLY 1 2HA GLY 1 -7.018 6.485 2.509 5 2HA GLY 1 1HA GLY 1 -6.311 5.492 3.782 6 H PHE 2 H PHE 2 -4.495 6.777 2.335 7 HA PHE 2 HA PHE 2 -2.577 6.503 1.021 8 1HB PHE 2 2HB PHE 2 -3.215 3.546 1.027 9 2HB PHE 2 1HB PHE 2 -1.633 4.310 0.897 10 HD1 PHE 2 HD1 PHE 2 -3.869 2.727 3.107 11 HD2 PHE 2 HD2 PHE 2 -1.044 5.959 2.926 12 HE1 PHE 2 HE1 PHE 2 -3.645 2.670 5.576 13 HE2 PHE 2 HE2 PHE 2 -0.820 5.901 5.395 14 HZ PHE 2 HZ PHE 2 -2.120 4.257 6.720 15 H GLY 3 H GLY 3 -5.281 6.786 -0.274 16 1HA GLY 3 2HA GLY 3 -6.037 6.957 -2.479 17 2HA GLY 3 1HA GLY 3 -4.440 6.434 -3.007 18 H CYS 4 H CYS 4 -7.080 4.877 -1.136 19 HA CYS 4 HA CYS 4 -6.769 2.486 -2.898 20 1HB CYS 4 2HB CYS 4 -7.680 2.844 -0.050 21 2HB CYS 4 1HB CYS 4 -8.158 1.414 -0.963 22 HA PRO 5 HA PRO 5 -8.019 0.601 -2.840 23 1HB PRO 5 2HB PRO 5 -9.355 -0.705 -4.849 24 2HB PRO 5 1HB PRO 5 -9.938 -0.618 -3.180 25 1HG PRO 5 2HG PRO 5 -10.945 0.805 -5.589 26 2HG PRO 5 1HG PRO 5 -11.794 0.402 -4.088 27 1HD PRO 5 2HD PRO 5 -10.713 2.943 -4.797 28 2HD PRO 5 1HD PRO 5 -11.367 2.470 -3.215 29 H ASN 6 H ASN 6 -7.493 3.078 -4.733 30 HA ASN 6 HA ASN 6 -6.735 2.189 -7.311 31 1HB ASN 6 2HB ASN 6 -6.777 4.594 -6.268 32 2HB ASN 6 1HB ASN 6 -5.105 4.240 -5.836 33 1HD2 ASN 6 1HD2 ASN 6 -7.190 5.178 -8.442 34 2HD2 ASN 6 2HD2 ASN 6 -6.019 5.140 -9.670 35 H ASN 7 H ASN 7 -4.942 1.141 -8.104 36 HA ASN 7 HA ASN 7 -3.204 -0.237 -6.184 37 1HB ASN 7 2HB ASN 7 -3.554 -0.327 -9.178 38 2HB ASN 7 1HB ASN 7 -2.178 -1.116 -8.410 39 1HD2 ASN 7 1HD2 ASN 7 -2.701 -2.826 -6.749 40 2HD2 ASN 7 2HD2 ASN 7 -4.175 -3.661 -6.863 41 H TYR 8 H TYR 8 -2.830 2.268 -8.697 42 HA TYR 8 HA TYR 8 0.018 2.497 -8.504 43 1HB TYR 8 2HB TYR 8 -1.651 3.489 -10.265 44 2HB TYR 8 1HB TYR 8 -1.748 4.847 -9.146 45 HD1 TYR 8 HD1 TYR 8 0.417 2.973 -11.450 46 HD2 TYR 8 HD2 TYR 8 0.214 6.249 -8.679 47 HE1 TYR 8 HE1 TYR 8 2.570 3.842 -12.320 48 HE2 TYR 8 HE2 TYR 8 2.367 7.118 -9.550 49 HH TYR 8 HH TYR 8 3.628 6.483 -12.299 50 H GLN 9 H GLN 9 -2.577 4.474 -7.008 51 HA GLN 9 HA GLN 9 -0.842 6.099 -5.429 52 1HB GLN 9 2HB GLN 9 -3.738 5.295 -5.109 53 2HB GLN 9 1HB GLN 9 -2.936 6.378 -3.971 54 1HG GLN 9 2HG GLN 9 -2.568 7.035 -6.841 55 2HG GLN 9 1HG GLN 9 -4.201 7.248 -6.211 56 1HE2 GLN 9 1HE2 GLN 9 -1.468 9.010 -6.720 57 2HE2 GLN 9 2HE2 GLN 9 -1.572 10.103 -5.426 58 H CYS 10 H CYS 10 -2.468 3.007 -4.687 59 HA CYS 10 HA CYS 10 -1.595 2.821 -1.966 60 1HB CYS 10 2HB CYS 10 -3.353 1.378 -3.104 61 2HB CYS 10 1HB CYS 10 -2.026 0.489 -3.849 62 H HIS 11 H HIS 11 -0.153 1.726 -5.027 63 HA HIS 11 HA HIS 11 2.114 0.407 -3.875 64 1HB HIS 11 2HB HIS 11 1.389 0.111 -6.244 65 2HB HIS 11 1HB HIS 11 1.906 1.762 -6.582 66 HD1 HIS 11 HD1 HIS 11 3.323 -1.584 -5.485 67 HD2 HIS 11 HD2 HIS 11 4.652 2.053 -7.026 68 HE1 HIS 11 HE1 HIS 11 5.779 -1.888 -6.019 69 H ARG 12 H ARG 12 1.598 3.752 -4.996 70 HA ARG 12 HA ARG 12 4.243 4.721 -4.631 71 1HB ARG 12 2HB ARG 12 2.057 5.868 -5.597 72 2HB ARG 12 1HB ARG 12 1.900 6.464 -3.943 73 1HG ARG 12 2HG ARG 12 4.184 7.397 -4.059 74 2HG ARG 12 1HG ARG 12 4.343 6.802 -5.711 75 1HD ARG 12 2HD ARG 12 3.396 8.704 -6.449 76 2HD ARG 12 1HD ARG 12 1.909 8.249 -5.620 77 HE ARG 12 HE ARG 12 3.570 10.398 -4.835 78 1HH1 ARG 12 2HH1 ARG 12 0.850 9.201 -3.712 79 2HH1 ARG 12 1HH1 ARG 12 1.253 9.148 -2.030 80 1HH2 ARG 12 1HH2 ARG 12 4.654 9.629 -2.558 81 2HH2 ARG 12 2HH2 ARG 12 3.415 9.382 -1.374 82 H HIS 13 H HIS 13 1.563 4.382 -2.310 83 HA HIS 13 HA HIS 13 2.864 5.680 -0.105 84 1HB HIS 13 2HB HIS 13 0.472 5.306 -0.023 85 2HB HIS 13 1HB HIS 13 0.688 3.566 -0.210 86 HD1 HIS 13 HD1 HIS 13 2.041 6.205 2.213 87 HD2 HIS 13 HD2 HIS 13 0.474 2.344 2.244 88 HE1 HIS 13 HE1 HIS 13 2.028 5.458 4.632 89 H CYS 14 H CYS 14 2.683 2.249 -1.092 90 HA CYS 14 HA CYS 14 4.288 1.252 1.080 91 1HB CYS 14 2HB CYS 14 3.758 0.119 -1.682 92 2HB CYS 14 1HB CYS 14 4.565 -0.761 -0.387 93 H LYS 15 H LYS 15 5.054 2.622 -2.075 94 HA LYS 15 HA LYS 15 7.791 1.791 -2.216 95 1HB LYS 15 2HB LYS 15 6.128 3.908 -3.520 96 2HB LYS 15 1HB LYS 15 7.884 4.044 -3.638 97 1HG LYS 15 2HG LYS 15 6.803 1.336 -4.146 98 2HG LYS 15 1HG LYS 15 6.364 2.552 -5.345 99 1HD LYS 15 2HD LYS 15 8.515 2.794 -6.087 100 2HD LYS 15 1HD LYS 15 9.204 2.566 -4.479 101 1HE LYS 15 2HE LYS 15 7.883 0.160 -5.529 102 2HE LYS 15 1HE LYS 15 9.249 0.689 -6.507 103 1HZ LYS 15 1HZ LYS 15 10.643 0.682 -4.561 104 2HZ LYS 15 2HZ LYS 15 9.893 -0.835 -4.712 105 3HZ LYS 15 3HZ LYS 15 9.329 0.282 -3.564 106 H SER 16 H SER 16 6.252 4.706 -0.811 107 HA SER 16 HA SER 16 8.752 5.946 -0.072 108 1HB SER 16 2HB SER 16 7.290 7.309 1.491 109 2HB SER 16 1HB SER 16 6.825 7.365 -0.204 110 HG SER 16 HG SER 16 5.640 5.957 1.940 111 H ILE 17 H ILE 17 6.788 3.441 1.378 112 HA ILE 17 HA ILE 17 7.984 3.665 4.033 113 HB ILE 17 HB ILE 17 6.396 1.419 2.745 114 1HG1 ILE 17 2HG1 ILE 17 5.385 3.243 4.904 115 2HG1 ILE 17 1HG1 ILE 17 5.410 3.830 3.241 116 1HG2 ILE 17 1HG2 ILE 17 7.242 1.897 5.621 117 2HG2 ILE 17 2HG2 ILE 17 7.738 0.556 4.587 118 3HG2 ILE 17 3HG2 ILE 17 6.062 0.686 5.119 119 1HD1 ILE 17 1HD1 ILE 17 3.622 1.889 4.490 120 2HD1 ILE 17 2HD1 ILE 17 4.358 1.262 3.016 121 3HD1 ILE 17 3HD1 ILE 17 3.438 2.765 2.971 122 HA PRO 18 HA PRO 18 11.675 1.489 2.849 123 1HB PRO 18 2HB PRO 18 12.797 1.495 5.360 124 2HB PRO 18 1HB PRO 18 12.796 2.900 4.280 125 1HG PRO 18 2HG PRO 18 11.154 2.407 6.718 126 2HG PRO 18 1HG PRO 18 11.646 3.944 5.988 127 1HD PRO 18 2HD PRO 18 9.096 2.728 5.756 128 2HD PRO 18 1HD PRO 18 9.695 4.097 4.796 129 H GLY 19 H GLY 19 12.215 -0.682 2.813 130 1HA GLY 19 2HA GLY 19 12.492 -2.865 3.857 131 2HA GLY 19 1HA GLY 19 11.181 -2.465 4.965 132 H ARG 20 H ARG 20 9.578 -1.347 2.643 133 HA ARG 20 HA ARG 20 8.616 -3.979 1.619 134 1HB ARG 20 2HB ARG 20 7.097 -1.365 1.609 135 2HB ARG 20 1HB ARG 20 6.450 -2.985 1.368 136 1HG ARG 20 2HG ARG 20 7.742 -2.019 3.939 137 2HG ARG 20 1HG ARG 20 6.002 -2.106 3.664 138 1HD ARG 20 2HD ARG 20 6.718 -4.619 2.935 139 2HD ARG 20 1HD ARG 20 7.953 -4.289 4.148 140 HE ARG 20 HE ARG 20 5.054 -4.540 4.647 141 1HH1 ARG 20 1HH2 ARG 20 7.587 -5.659 6.129 142 2HH1 ARG 20 2HH2 ARG 20 7.446 -4.808 7.631 143 1HH2 ARG 20 2HH1 ARG 20 5.118 -2.528 6.424 144 2HH2 ARG 20 1HH1 ARG 20 6.045 -3.030 7.798 145 H CYS 21 H CYS 21 8.147 -4.221 -0.601 146 HA CYS 21 HA CYS 21 9.591 -2.317 -2.375 147 1HB CYS 21 2HB CYS 21 9.309 -5.175 -2.312 148 2HB CYS 21 1HB CYS 21 8.630 -4.577 -3.825 149 H GLY 22 H GLY 22 6.534 -4.187 -2.338 150 1HA GLY 22 2HA GLY 22 5.189 -1.864 -3.622 151 2HA GLY 22 1HA GLY 22 4.995 -3.466 -4.333 152 H GLY 23 H GLY 23 2.649 -2.489 -3.654 153 1HA GLY 23 2HA GLY 23 1.821 -4.136 -1.377 154 2HA GLY 23 1HA GLY 23 1.613 -2.408 -1.115 155 H TYR 24 H TYR 24 -0.688 -3.415 -0.948 156 HA TYR 24 HA TYR 24 -2.120 -2.712 -3.406 157 1HB TYR 24 2HB TYR 24 -3.230 -4.856 -3.705 158 2HB TYR 24 1HB TYR 24 -1.488 -5.127 -3.739 159 HD1 TYR 24 HD1 TYR 24 -0.319 -6.047 -1.718 160 HD2 TYR 24 HD2 TYR 24 -4.599 -5.751 -1.955 161 HE1 TYR 24 HE1 TYR 24 -0.535 -7.606 0.199 162 HE2 TYR 24 HE2 TYR 24 -4.814 -7.311 -0.042 163 HH TYR 24 HH TYR 24 -3.287 -9.201 0.970 164 H CYS 25 H CYS 25 -4.447 -2.513 -3.009 165 HA CYS 25 HA CYS 25 -5.042 -1.831 -0.209 166 1HB CYS 25 2HB CYS 25 -6.769 -1.673 -2.700 167 2HB CYS 25 1HB CYS 25 -7.200 -1.024 -1.119 168 H GLY 26 H GLY 26 -5.947 -3.271 1.184 169 1HA GLY 26 2HA GLY 26 -8.109 -5.025 0.511 170 2HA GLY 26 1HA GLY 26 -6.604 -5.944 0.513 171 H GLY 27 H GLY 27 -9.092 -5.627 2.401 172 1HA GLY 27 2HA GLY 27 -8.568 -6.625 4.728 173 2HA GLY 27 1HA GLY 27 -7.564 -5.191 4.935 174 H TRP 28 H TRP 28 -8.558 -3.198 5.346 175 HA TRP 28 HA TRP 28 -11.296 -3.344 6.374 176 1HB TRP 28 2HB TRP 28 -9.462 -2.024 7.487 177 2HB TRP 28 1HB TRP 28 -9.502 -0.914 6.119 178 HD1 TRP 28 HD1 TRP 28 -11.752 -2.214 8.960 179 HE1 TRP 28 HE1 TRP 28 -13.543 -0.432 9.458 180 HE3 TRP 28 HE3 TRP 28 -10.751 1.117 5.221 181 HZ2 TRP 28 HZ2 TRP 28 -14.433 2.076 8.415 182 HZ3 TRP 28 HZ3 TRP 28 -12.084 3.193 5.000 183 HH2 TRP 28 HH2 TRP 28 -13.924 3.676 6.589 184 H HIS 29 H HIS 29 -12.632 -3.647 4.561 185 HA HIS 29 HA HIS 29 -13.889 -3.044 2.681 186 1HB HIS 29 2HB HIS 29 -13.112 -0.231 3.516 187 2HB HIS 29 1HB HIS 29 -14.503 -0.688 2.536 188 HD1 HIS 29 HD1 HIS 29 -14.546 0.721 5.447 189 HD2 HIS 29 HD2 HIS 29 -15.335 -3.284 4.615 190 HE1 HIS 29 HE1 HIS 29 -15.916 -0.156 7.388 191 H ARG 30 H ARG 30 -11.013 -3.559 2.339 192 HA ARG 30 HA ARG 30 -9.331 -3.361 0.734 193 1HB ARG 30 2HB ARG 30 -11.289 -4.014 -0.714 194 2HB ARG 30 1HB ARG 30 -11.554 -2.300 -1.036 195 1HG ARG 30 2HG ARG 30 -9.664 -2.106 -2.334 196 2HG ARG 30 1HG ARG 30 -8.787 -3.334 -1.425 197 1HD ARG 30 2HD ARG 30 -10.493 -5.000 -2.458 198 2HD ARG 30 1HD ARG 30 -10.820 -3.707 -3.615 199 HE ARG 30 HE ARG 30 -8.179 -5.063 -3.276 200 1HH1 ARG 30 2HH1 ARG 30 -9.644 -5.516 -5.795 201 2HH1 ARG 30 1HH1 ARG 30 -8.993 -4.310 -6.853 202 1HH2 ARG 30 1HH2 ARG 30 -7.635 -2.411 -4.283 203 2HH2 ARG 30 2HH2 ARG 30 -7.854 -2.545 -5.994 204 H LEU 31 H LEU 31 -9.865 -1.063 2.511 205 HA LEU 31 HA LEU 31 -8.975 1.184 0.762 206 1HB LEU 31 2HB LEU 31 -10.451 1.096 3.384 207 2HB LEU 31 1HB LEU 31 -9.570 2.545 2.903 208 HG LEU 31 HG LEU 31 -11.682 1.175 1.210 209 1HD1 LEU 31 1HD1 LEU 31 -11.812 3.675 2.924 210 2HD1 LEU 31 2HD1 LEU 31 -12.701 2.173 3.189 211 3HD1 LEU 31 3HD1 LEU 31 -13.061 3.174 1.783 212 1HD2 LEU 31 1HD2 LEU 31 -11.504 3.610 0.163 213 2HD2 LEU 31 2HD2 LEU 31 -10.376 2.344 -0.322 214 3HD2 LEU 31 3HD2 LEU 31 -9.885 3.555 0.863 215 H ARG 32 H ARG 32 -7.974 -0.991 3.257 216 HA ARG 32 HA ARG 32 -5.777 0.711 4.213 217 1HB ARG 32 2HB ARG 32 -7.031 -1.071 5.598 218 2HB ARG 32 1HB ARG 32 -6.088 -2.258 4.699 219 1HG ARG 32 2HG ARG 32 -4.077 -1.587 5.649 220 2HG ARG 32 1HG ARG 32 -4.655 0.047 5.973 221 1HD ARG 32 2HD ARG 32 -4.714 -0.827 8.117 222 2HD ARG 32 1HD ARG 32 -6.343 -1.231 7.577 223 HE ARG 32 HE ARG 32 -4.850 -3.443 6.837 224 1HH1 ARG 32 1HH2 ARG 32 -3.018 -2.829 9.095 225 2HH1 ARG 32 2HH2 ARG 32 -3.769 -3.647 10.426 226 1HH2 ARG 32 2HH1 ARG 32 -6.833 -3.994 8.820 227 2HH2 ARG 32 1HH1 ARG 32 -5.938 -4.309 10.268 228 H CYS 33 H CYS 33 -3.672 0.604 3.474 229 HA CYS 33 HA CYS 33 -3.191 -1.019 1.045 230 1HB CYS 33 2HB CYS 33 -1.944 1.399 2.273 231 2HB CYS 33 1HB CYS 33 -0.917 0.370 1.275 232 H THR 34 H THR 34 -2.293 -2.991 1.283 233 HA THR 34 HA THR 34 -0.612 -3.535 3.679 234 HB THR 34 HB THR 34 -1.836 -5.467 1.684 235 HG1 THR 34 HG1 THR 34 -3.562 -5.283 2.839 236 1HG2 THR 34 1HG2 THR 34 0.284 -5.939 3.308 237 2HG2 THR 34 2HG2 THR 34 -0.903 -7.172 2.886 238 3HG2 THR 34 3HG2 THR 34 -1.039 -6.306 4.415 239 H CYS 35 H CYS 35 1.526 -3.213 3.290 240 HA CYS 35 HA CYS 35 2.599 -3.704 0.560 241 1HB CYS 35 2HB CYS 35 4.198 -2.541 2.830 242 2HB CYS 35 1HB CYS 35 4.389 -2.284 1.098 243 H TYR 36 H TYR 36 4.214 -5.237 0.186 244 HA TYR 36 HA TYR 36 4.726 -7.122 2.445 245 1HB TYR 36 2HB TYR 36 5.490 -8.652 0.472 246 2HB TYR 36 1HB TYR 36 3.769 -8.413 0.745 247 HD1 TYR 36 HD1 TYR 36 2.398 -7.221 -0.839 248 HD2 TYR 36 HD2 TYR 36 6.657 -7.423 -1.360 249 HE1 TYR 36 HE1 TYR 36 2.156 -6.332 -3.140 250 HE2 TYR 36 HE2 TYR 36 6.415 -6.535 -3.662 251 HH TYR 36 HH TYR 36 4.923 -5.373 -5.043 252 H ARG 37 H ARG 37 6.891 -8.019 2.660 253 HA ARG 37 HA ARG 37 8.961 -6.023 2.434 254 1HB ARG 37 2HB ARG 37 8.836 -8.872 3.341 255 2HB ARG 37 1HB ARG 37 10.415 -8.158 3.020 256 1HG ARG 37 2HG ARG 37 8.936 -6.233 4.493 257 2HG ARG 37 1HG ARG 37 8.709 -7.779 5.308 258 1HD ARG 37 2HD ARG 37 11.473 -7.119 4.408 259 2HD ARG 37 1HD ARG 37 10.842 -6.215 5.783 260 HE ARG 37 HE ARG 37 11.072 -8.172 7.072 261 1HH1 ARG 37 2HH1 ARG 37 12.734 -8.971 4.452 262 2HH1 ARG 37 1HH1 ARG 37 12.239 -10.625 4.325 263 1HH2 ARG 37 1HH2 ARG 37 9.639 -10.295 6.612 264 2HH2 ARG 37 2HH2 ARG 37 10.483 -11.379 5.559 265 H CYS 38 H CYS 38 10.851 -6.072 1.144 266 HA CYS 38 HA CYS 38 10.464 -7.322 -1.511 267 1HB CYS 38 2HB CYS 38 11.277 -4.857 -0.954 268 2HB CYS 38 1HB CYS 38 12.850 -5.642 -0.832 269 H GLY 39 HN GLY 39 11.942 -8.815 -2.404 270 1HA GLY 39 2HA GLY 39 13.420 -10.437 -0.469 271 2HA GLY 39 1HA GLY 39 13.263 -10.768 -2.194 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -7.743 3.373 2.279 2 2H GLY 1 2H GLY 1 -8.731 4.591 1.625 3 3H GLY 1 3H GLY 1 -8.840 4.200 3.275 4 1HA GLY 1 2HA GLY 1 -7.555 6.300 2.614 5 2HA GLY 1 1HA GLY 1 -6.843 5.213 3.804 6 H PHE 2 H PHE 2 -5.088 6.785 2.535 7 HA PHE 2 HA PHE 2 -3.150 6.814 1.221 8 1HB PHE 2 2HB PHE 2 -3.577 3.838 1.578 9 2HB PHE 2 1HB PHE 2 -2.146 4.512 0.799 10 HD1 PHE 2 HD1 PHE 2 -0.772 6.256 2.107 11 HD2 PHE 2 HD2 PHE 2 -3.718 3.717 3.931 12 HE1 PHE 2 HE1 PHE 2 0.235 6.686 4.331 13 HE2 PHE 2 HE2 PHE 2 -2.710 4.147 6.155 14 HZ PHE 2 HZ PHE 2 -0.734 5.631 6.356 15 H GLY 3 H GLY 3 -5.761 6.901 -0.177 16 1HA GLY 3 2HA GLY 3 -6.480 6.977 -2.401 17 2HA GLY 3 1HA GLY 3 -4.820 6.625 -2.879 18 H CYS 4 H CYS 4 -7.489 4.880 -1.231 19 HA CYS 4 HA CYS 4 -6.802 2.496 -2.898 20 1HB CYS 4 2HB CYS 4 -7.835 2.796 -0.094 21 2HB CYS 4 1HB CYS 4 -8.223 1.338 -1.004 22 HA PRO 5 HA PRO 5 -7.839 0.501 -2.888 23 1HB PRO 5 2HB PRO 5 -8.879 -0.935 -4.982 24 2HB PRO 5 1HB PRO 5 -9.580 -0.928 -3.356 25 1HG PRO 5 2HG PRO 5 -10.574 0.396 -5.828 26 2HG PRO 5 1HG PRO 5 -11.474 -0.120 -4.393 27 1HD PRO 5 2HD PRO 5 -10.658 2.536 -5.009 28 2HD PRO 5 1HD PRO 5 -11.342 1.968 -3.472 29 H ASN 6 H ASN 6 -7.536 3.034 -4.785 30 HA ASN 6 HA ASN 6 -6.523 2.314 -7.296 31 1HB ASN 6 2HB ASN 6 -6.784 4.663 -6.112 32 2HB ASN 6 1HB ASN 6 -5.090 4.407 -5.694 33 1HD2 ASN 6 1HD2 ASN 6 -7.305 5.057 -8.350 34 2HD2 ASN 6 2HD2 ASN 6 -6.110 5.272 -9.536 35 H ASN 7 H ASN 7 -5.004 0.834 -7.758 36 HA ASN 7 HA ASN 7 -3.092 -0.166 -5.842 37 1HB ASN 7 2HB ASN 7 -3.457 -0.517 -8.819 38 2HB ASN 7 1HB ASN 7 -2.079 -1.225 -7.977 39 1HD2 ASN 7 1HD2 ASN 7 -5.663 -1.222 -8.057 40 2HD2 ASN 7 2HD2 ASN 7 -5.836 -2.731 -7.299 41 H TYR 8 H TYR 8 -2.947 2.281 -8.393 42 HA TYR 8 HA TYR 8 -0.089 2.592 -8.422 43 1HB TYR 8 2HB TYR 8 -1.492 3.463 -10.236 44 2HB TYR 8 1HB TYR 8 -2.304 4.550 -9.114 45 HD1 TYR 8 HD1 TYR 8 1.035 3.734 -10.579 46 HD2 TYR 8 HD2 TYR 8 -1.402 6.675 -8.613 47 HE1 TYR 8 HE1 TYR 8 2.786 5.445 -10.965 48 HE2 TYR 8 HE2 TYR 8 0.349 8.385 -8.998 49 HH TYR 8 HH TYR 8 2.969 8.283 -9.368 50 H GLN 9 H GLN 9 -2.681 4.350 -6.686 51 HA GLN 9 HA GLN 9 -0.914 6.101 -5.247 52 1HB GLN 9 2HB GLN 9 -3.678 5.127 -4.456 53 2HB GLN 9 1HB GLN 9 -2.848 6.531 -3.790 54 1HG GLN 9 2HG GLN 9 -3.285 6.322 -6.761 55 2HG GLN 9 1HG GLN 9 -4.593 6.875 -5.718 56 1HE2 GLN 9 1HE2 GLN 9 -4.565 9.115 -6.303 57 2HE2 GLN 9 2HE2 GLN 9 -3.229 10.125 -6.025 58 H CYS 10 H CYS 10 -2.502 3.030 -4.327 59 HA CYS 10 HA CYS 10 -1.367 2.808 -1.724 60 1HB CYS 10 2HB CYS 10 -3.209 1.368 -2.882 61 2HB CYS 10 1HB CYS 10 -1.857 0.408 -3.479 62 H HIS 11 H HIS 11 -0.170 1.754 -4.908 63 HA HIS 11 HA HIS 11 2.158 0.378 -3.999 64 1HB HIS 11 2HB HIS 11 1.341 0.188 -6.310 65 2HB HIS 11 1HB HIS 11 1.690 1.894 -6.587 66 HD1 HIS 11 HD1 HIS 11 3.933 -0.601 -4.804 67 HD2 HIS 11 HD2 HIS 11 3.879 1.667 -8.298 68 HE1 HIS 11 HE1 HIS 11 6.207 -0.891 -5.877 69 H ARG 12 H ARG 12 1.600 3.797 -4.809 70 HA ARG 12 HA ARG 12 4.279 4.722 -4.557 71 1HB ARG 12 2HB ARG 12 2.582 6.169 -5.504 72 2HB ARG 12 1HB ARG 12 1.625 6.097 -4.026 73 1HG ARG 12 2HG ARG 12 2.771 8.201 -3.989 74 2HG ARG 12 1HG ARG 12 3.602 7.166 -2.830 75 1HD ARG 12 2HD ARG 12 5.408 6.762 -4.329 76 2HD ARG 12 1HD ARG 12 4.508 7.404 -5.705 77 HE ARG 12 HE ARG 12 4.922 9.639 -4.886 78 1HH1 ARG 12 2HH1 ARG 12 7.670 8.476 -4.591 79 2HH1 ARG 12 1HH1 ARG 12 8.081 8.914 -2.966 80 1HH2 ARG 12 1HH2 ARG 12 4.805 9.641 -2.060 81 2HH2 ARG 12 2HH2 ARG 12 6.451 9.586 -1.530 82 H HIS 13 H HIS 13 1.701 4.346 -2.123 83 HA HIS 13 HA HIS 13 3.178 5.401 0.097 84 1HB HIS 13 2HB HIS 13 0.781 5.155 0.284 85 2HB HIS 13 1HB HIS 13 0.881 3.427 -0.045 86 HD1 HIS 13 HD1 HIS 13 2.550 5.766 2.491 87 HD2 HIS 13 HD2 HIS 13 0.682 2.043 2.319 88 HE1 HIS 13 HE1 HIS 13 2.595 4.832 4.845 89 H CYS 14 H CYS 14 2.777 2.054 -1.112 90 HA CYS 14 HA CYS 14 4.302 0.759 0.919 91 1HB CYS 14 2HB CYS 14 3.927 0.005 -1.996 92 2HB CYS 14 1HB CYS 14 4.586 -1.063 -0.757 93 H LYS 15 H LYS 15 5.296 2.326 -2.110 94 HA LYS 15 HA LYS 15 8.053 1.502 -1.994 95 1HB LYS 15 2HB LYS 15 6.551 3.669 -3.445 96 2HB LYS 15 1HB LYS 15 8.314 3.631 -3.492 97 1HG LYS 15 2HG LYS 15 8.122 1.193 -4.210 98 2HG LYS 15 1HG LYS 15 6.395 1.481 -4.424 99 1HD LYS 15 2HD LYS 15 8.503 3.204 -5.744 100 2HD LYS 15 1HD LYS 15 7.840 1.762 -6.513 101 1HE LYS 15 2HE LYS 15 5.927 2.826 -7.065 102 2HE LYS 15 1HE LYS 15 5.735 3.467 -5.434 103 1HZ LYS 15 1HZ LYS 15 7.576 5.080 -6.098 104 2HZ LYS 15 2HZ LYS 15 6.031 5.337 -6.758 105 3HZ LYS 15 3HZ LYS 15 7.249 4.613 -7.699 106 H SER 16 H SER 16 6.271 4.259 -0.647 107 HA SER 16 HA SER 16 8.602 5.730 0.199 108 1HB SER 16 2HB SER 16 7.086 7.130 1.406 109 2HB SER 16 1HB SER 16 6.240 6.650 -0.058 110 HG SER 16 HG SER 16 5.352 4.897 1.306 111 H ILE 17 H ILE 17 6.851 3.015 1.544 112 HA ILE 17 HA ILE 17 7.894 3.289 4.248 113 HB ILE 17 HB ILE 17 6.746 0.853 2.837 114 1HG1 ILE 17 2HG1 ILE 17 5.304 2.589 4.833 115 2HG1 ILE 17 1HG1 ILE 17 5.330 3.037 3.129 116 1HG2 ILE 17 1HG2 ILE 17 6.370 -0.005 5.105 117 2HG2 ILE 17 2HG2 ILE 17 7.086 1.452 5.793 118 3HG2 ILE 17 3HG2 ILE 17 8.085 0.330 4.868 119 1HD1 ILE 17 1HD1 ILE 17 4.736 0.229 3.368 120 2HD1 ILE 17 2HD1 ILE 17 3.750 1.508 2.661 121 3HD1 ILE 17 3HD1 ILE 17 3.630 1.153 4.383 122 HA PRO 18 HA PRO 18 11.903 1.636 3.334 123 1HB PRO 18 2HB PRO 18 12.717 1.346 5.945 124 2HB PRO 18 1HB PRO 18 12.679 2.900 5.094 125 1HG PRO 18 2HG PRO 18 10.818 1.856 7.180 126 2HG PRO 18 1HG PRO 18 11.230 3.532 6.779 127 1HD PRO 18 2HD PRO 18 8.867 2.187 6.013 128 2HD PRO 18 1HD PRO 18 9.460 3.718 5.333 129 H GLY 19 H GLY 19 12.692 -0.432 3.042 130 1HA GLY 19 2HA GLY 19 12.983 -2.755 3.347 131 2HA GLY 19 1HA GLY 19 12.057 -2.637 4.845 132 H ARG 20 H ARG 20 10.927 -1.531 1.672 133 HA ARG 20 HA ARG 20 9.058 -3.840 1.534 134 1HB ARG 20 2HB ARG 20 8.346 -1.110 2.183 135 2HB ARG 20 1HB ARG 20 7.576 -1.603 0.679 136 1HG ARG 20 2HG ARG 20 6.017 -2.442 2.144 137 2HG ARG 20 1HG ARG 20 7.110 -3.824 2.106 138 1HD ARG 20 2HD ARG 20 8.310 -2.815 4.091 139 2HD ARG 20 1HD ARG 20 7.012 -1.626 4.186 140 HE ARG 20 HE ARG 20 6.386 -4.544 4.338 141 1HH1 ARG 20 1HH2 ARG 20 7.364 -2.850 6.791 142 2HH1 ARG 20 2HH2 ARG 20 5.843 -2.545 7.558 143 1HH2 ARG 20 2HH1 ARG 20 3.962 -3.511 4.794 144 2HH2 ARG 20 1HH1 ARG 20 3.905 -2.920 6.422 145 H CYS 21 H CYS 21 7.737 -3.540 -0.656 146 HA CYS 21 HA CYS 21 9.474 -2.420 -2.790 147 1HB CYS 21 2HB CYS 21 9.215 -5.233 -2.204 148 2HB CYS 21 1HB CYS 21 8.518 -4.894 -3.788 149 H GLY 22 H GLY 22 6.471 -4.338 -2.324 150 1HA GLY 22 2HA GLY 22 5.002 -2.239 -3.824 151 2HA GLY 22 1HA GLY 22 4.883 -3.902 -4.389 152 H GLY 23 H GLY 23 2.510 -3.052 -3.815 153 1HA GLY 23 2HA GLY 23 1.673 -4.565 -1.497 154 2HA GLY 23 1HA GLY 23 1.545 -2.834 -1.200 155 H TYR 24 H TYR 24 -0.798 -3.502 -1.011 156 HA TYR 24 HA TYR 24 -2.219 -2.782 -3.447 157 1HB TYR 24 2HB TYR 24 -3.527 -4.867 -3.641 158 2HB TYR 24 1HB TYR 24 -1.810 -5.185 -3.888 159 HD1 TYR 24 HD1 TYR 24 -4.713 -5.789 -1.776 160 HD2 TYR 24 HD2 TYR 24 -0.443 -6.188 -2.032 161 HE1 TYR 24 HE1 TYR 24 -4.754 -7.410 0.099 162 HE2 TYR 24 HE2 TYR 24 -0.485 -7.809 -0.157 163 HH TYR 24 HH TYR 24 -2.606 -8.122 1.958 164 H CYS 25 H CYS 25 -4.598 -2.637 -3.018 165 HA CYS 25 HA CYS 25 -5.075 -1.821 -0.222 166 1HB CYS 25 2HB CYS 25 -6.812 -1.618 -2.699 167 2HB CYS 25 1HB CYS 25 -7.246 -0.979 -1.114 168 H GLY 26 H GLY 26 -5.680 -3.419 1.159 169 1HA GLY 26 2HA GLY 26 -8.059 -4.998 0.667 170 2HA GLY 26 1HA GLY 26 -6.601 -5.985 0.546 171 H GLY 27 H GLY 27 -8.851 -5.835 2.605 172 1HA GLY 27 2HA GLY 27 -8.072 -6.788 4.883 173 2HA GLY 27 1HA GLY 27 -7.212 -5.257 5.037 174 H TRP 28 H TRP 28 -8.640 -3.271 4.762 175 HA TRP 28 HA TRP 28 -11.219 -3.724 6.190 176 1HB TRP 28 2HB TRP 28 -9.509 -2.308 7.342 177 2HB TRP 28 1HB TRP 28 -9.575 -1.181 5.989 178 HD1 TRP 28 HD1 TRP 28 -11.798 -2.608 8.789 179 HE1 TRP 28 HE1 TRP 28 -13.677 -0.916 9.279 180 HE3 TRP 28 HE3 TRP 28 -10.920 0.792 5.078 181 HZ2 TRP 28 HZ2 TRP 28 -14.677 1.551 8.240 182 HZ3 TRP 28 HZ3 TRP 28 -12.351 2.803 4.854 183 HH2 TRP 28 HH2 TRP 28 -14.228 3.185 6.428 184 H HIS 29 H HIS 29 -12.598 -4.046 4.431 185 HA HIS 29 HA HIS 29 -13.948 -3.483 2.611 186 1HB HIS 29 2HB HIS 29 -13.273 -0.661 3.500 187 2HB HIS 29 1HB HIS 29 -14.637 -1.127 2.487 188 HD1 HIS 29 HD1 HIS 29 -14.796 0.177 5.428 189 HD2 HIS 29 HD2 HIS 29 -15.364 -3.839 4.478 190 HE1 HIS 29 HE1 HIS 29 -16.132 -0.827 7.331 191 H ARG 30 H ARG 30 -11.079 -3.874 2.117 192 HA ARG 30 HA ARG 30 -9.533 -3.639 0.378 193 1HB ARG 30 2HB ARG 30 -11.789 -4.065 -0.855 194 2HB ARG 30 1HB ARG 30 -11.712 -2.351 -1.251 195 1HG ARG 30 2HG ARG 30 -9.888 -2.607 -2.638 196 2HG ARG 30 1HG ARG 30 -9.253 -3.972 -1.721 197 1HD ARG 30 2HD ARG 30 -10.329 -5.469 -3.023 198 2HD ARG 30 1HD ARG 30 -11.847 -4.578 -2.912 199 HE ARG 30 HE ARG 30 -10.872 -3.082 -4.748 200 1HH1 ARG 30 1HH2 ARG 30 -11.456 -6.207 -5.223 201 2HH1 ARG 30 2HH2 ARG 30 -10.226 -6.517 -6.401 202 1HH2 ARG 30 2HH1 ARG 30 -8.563 -3.516 -5.841 203 2HH2 ARG 30 1HH1 ARG 30 -8.584 -4.988 -6.755 204 H LEU 31 H LEU 31 -10.001 -1.385 2.304 205 HA LEU 31 HA LEU 31 -9.040 0.879 0.609 206 1HB LEU 31 2HB LEU 31 -10.580 0.871 3.213 207 2HB LEU 31 1HB LEU 31 -9.815 2.318 2.557 208 HG LEU 31 HG LEU 31 -11.787 0.635 0.988 209 1HD1 LEU 31 1HD1 LEU 31 -12.291 3.183 2.558 210 2HD1 LEU 31 2HD1 LEU 31 -12.861 1.577 3.014 211 3HD1 LEU 31 3HD1 LEU 31 -13.463 2.341 1.544 212 1HD2 LEU 31 1HD2 LEU 31 -10.259 2.073 -0.326 213 2HD2 LEU 31 2HD2 LEU 31 -10.743 3.467 0.639 214 3HD2 LEU 31 3HD2 LEU 31 -11.915 2.672 -0.409 215 H ARG 32 H ARG 32 -8.096 -1.385 2.972 216 HA ARG 32 HA ARG 32 -6.108 0.312 4.301 217 1HB ARG 32 2HB ARG 32 -7.112 -1.491 5.589 218 2HB ARG 32 1HB ARG 32 -6.646 -2.675 4.371 219 1HG ARG 32 2HG ARG 32 -4.919 -2.975 5.876 220 2HG ARG 32 1HG ARG 32 -4.213 -1.709 4.872 221 1HD ARG 32 2HD ARG 32 -5.190 -0.019 6.487 222 2HD ARG 32 1HD ARG 32 -5.608 -1.374 7.537 223 HE ARG 32 HE ARG 32 -3.220 -1.815 7.825 224 1HH1 ARG 32 1HH2 ARG 32 -2.085 -0.764 5.320 225 2HH1 ARG 32 2HH2 ARG 32 -1.399 0.751 5.804 226 1HH2 ARG 32 2HH1 ARG 32 -3.196 0.914 8.776 227 2HH2 ARG 32 1HH1 ARG 32 -2.032 1.707 7.768 228 H CYS 33 H CYS 33 -4.013 0.570 3.613 229 HA CYS 33 HA CYS 33 -3.209 -0.748 1.099 230 1HB CYS 33 2HB CYS 33 -2.365 1.636 2.630 231 2HB CYS 33 1HB CYS 33 -1.051 0.763 1.842 232 H THR 34 H THR 34 -2.549 -2.829 1.446 233 HA THR 34 HA THR 34 -0.765 -3.410 3.749 234 HB THR 34 HB THR 34 -2.159 -5.284 1.811 235 HG1 THR 34 HG1 THR 34 -3.786 -4.980 3.080 236 1HG2 THR 34 1HG2 THR 34 -0.136 -6.290 2.745 237 2HG2 THR 34 2HG2 THR 34 -1.554 -7.013 3.505 238 3HG2 THR 34 3HG2 THR 34 -0.614 -5.796 4.370 239 H CYS 35 H CYS 35 1.364 -3.193 3.316 240 HA CYS 35 HA CYS 35 2.362 -3.795 0.566 241 1HB CYS 35 2HB CYS 35 3.870 -2.352 2.754 242 2HB CYS 35 1HB CYS 35 4.210 -2.356 1.025 243 H TYR 36 H TYR 36 4.101 -5.270 0.307 244 HA TYR 36 HA TYR 36 4.649 -6.950 2.718 245 1HB TYR 36 2HB TYR 36 5.383 -8.667 0.908 246 2HB TYR 36 1HB TYR 36 3.662 -8.394 1.157 247 HD1 TYR 36 HD1 TYR 36 2.302 -7.287 -0.516 248 HD2 TYR 36 HD2 TYR 36 6.542 -7.718 -1.062 249 HE1 TYR 36 HE1 TYR 36 2.059 -6.642 -2.898 250 HE2 TYR 36 HE2 TYR 36 6.297 -7.072 -3.444 251 HH TYR 36 HH TYR 36 4.742 -5.855 -4.872 252 H ARG 37 H ARG 37 6.809 -7.741 3.040 253 HA ARG 37 HA ARG 37 8.862 -5.786 2.544 254 1HB ARG 37 2HB ARG 37 8.934 -8.607 3.623 255 2HB ARG 37 1HB ARG 37 10.381 -7.612 3.477 256 1HG ARG 37 2HG ARG 37 9.338 -5.881 4.897 257 2HG ARG 37 1HG ARG 37 7.892 -6.880 5.049 258 1HD ARG 37 2HD ARG 37 9.124 -7.362 7.011 259 2HD ARG 37 1HD ARG 37 9.489 -8.713 5.937 260 HE ARG 37 HE ARG 37 11.339 -6.392 6.344 261 1HH1 ARG 37 2HH1 ARG 37 11.754 -9.017 7.815 262 2HH1 ARG 37 1HH1 ARG 37 12.914 -9.803 6.798 263 1HH2 ARG 37 1HH2 ARG 37 12.362 -7.688 4.093 264 2HH2 ARG 37 2HH2 ARG 37 13.258 -9.049 4.681 265 H CYS 38 H CYS 38 10.569 -5.821 1.083 266 HA CYS 38 HA CYS 38 10.177 -7.340 -1.376 267 1HB CYS 38 2HB CYS 38 11.216 -4.931 -0.984 268 2HB CYS 38 1HB CYS 38 12.712 -5.846 -0.805 269 H GLY 39 HN GLY 39 11.467 -9.037 -2.158 270 1HA GLY 39 2HA GLY 39 12.997 -10.513 -0.100 271 2HA GLY 39 1HA GLY 39 12.489 -11.150 -1.664 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -7.586 3.585 2.041 2 2H GLY 1 2H GLY 1 -8.415 4.881 1.317 3 3H GLY 1 3H GLY 1 -8.655 4.528 2.962 4 1HA GLY 1 2HA GLY 1 -7.144 6.487 2.369 5 2HA GLY 1 1HA GLY 1 -6.593 5.346 3.594 6 H PHE 2 H PHE 2 -4.663 6.776 2.358 7 HA PHE 2 HA PHE 2 -2.664 6.600 1.145 8 1HB PHE 2 2HB PHE 2 -3.242 3.625 1.165 9 2HB PHE 2 1HB PHE 2 -1.669 4.403 1.016 10 HD1 PHE 2 HD1 PHE 2 -4.002 2.963 3.276 11 HD2 PHE 2 HD2 PHE 2 -0.987 6.010 2.987 12 HE1 PHE 2 HE1 PHE 2 -3.778 2.976 5.746 13 HE2 PHE 2 HE2 PHE 2 -0.764 6.022 5.457 14 HZ PHE 2 HZ PHE 2 -2.159 4.505 6.836 15 H GLY 3 H GLY 3 -5.260 6.824 -0.341 16 1HA GLY 3 2HA GLY 3 -5.854 6.973 -2.599 17 2HA GLY 3 1HA GLY 3 -4.222 6.446 -3.008 18 H CYS 4 H CYS 4 -6.955 4.896 -1.265 19 HA CYS 4 HA CYS 4 -6.549 2.507 -3.012 20 1HB CYS 4 2HB CYS 4 -7.390 2.845 -0.156 21 2HB CYS 4 1HB CYS 4 -8.011 1.462 -1.056 22 HA PRO 5 HA PRO 5 -7.720 0.611 -3.046 23 1HB PRO 5 2HB PRO 5 -8.931 -0.657 -5.157 24 2HB PRO 5 1HB PRO 5 -9.566 -0.677 -3.503 25 1HG PRO 5 2HG PRO 5 -10.562 0.823 -5.873 26 2HG PRO 5 1HG PRO 5 -11.439 0.301 -4.426 27 1HD PRO 5 2HD PRO 5 -10.471 2.924 -4.959 28 2HD PRO 5 1HD PRO 5 -11.126 2.331 -3.417 29 H ASN 6 H ASN 6 -7.372 3.198 -4.931 30 HA ASN 6 HA ASN 6 -6.444 2.441 -7.469 31 1HB ASN 6 2HB ASN 6 -6.611 4.801 -6.379 32 2HB ASN 6 1HB ASN 6 -4.967 4.493 -5.827 33 1HD2 ASN 6 1HD2 ASN 6 -6.596 5.968 -8.307 34 2HD2 ASN 6 2HD2 ASN 6 -5.450 5.794 -9.546 35 H ASN 7 H ASN 7 -4.990 0.887 -7.957 36 HA ASN 7 HA ASN 7 -3.111 -0.208 -6.076 37 1HB ASN 7 2HB ASN 7 -3.121 -0.441 -9.102 38 2HB ASN 7 1HB ASN 7 -2.243 -1.486 -7.988 39 1HD2 ASN 7 1HD2 ASN 7 -4.540 -1.513 -6.000 40 2HD2 ASN 7 2HD2 ASN 7 -5.714 -2.517 -6.701 41 H TYR 8 H TYR 8 -2.812 2.245 -8.624 42 HA TYR 8 HA TYR 8 0.057 2.425 -8.556 43 1HB TYR 8 2HB TYR 8 -0.967 3.411 -10.449 44 2HB TYR 8 1HB TYR 8 -2.144 4.281 -9.469 45 HD1 TYR 8 HD1 TYR 8 -1.784 6.546 -9.073 46 HD2 TYR 8 HD2 TYR 8 1.582 4.007 -9.891 47 HE1 TYR 8 HE1 TYR 8 -0.281 8.516 -8.998 48 HE2 TYR 8 HE2 TYR 8 3.086 5.976 -9.816 49 HH TYR 8 HH TYR 8 2.658 8.633 -10.249 50 H GLN 9 H GLN 9 -2.486 4.393 -6.969 51 HA GLN 9 HA GLN 9 -0.684 6.032 -5.466 52 1HB GLN 9 2HB GLN 9 -3.549 5.240 -4.862 53 2HB GLN 9 1HB GLN 9 -2.668 6.537 -4.055 54 1HG GLN 9 2HG GLN 9 -2.905 6.492 -7.060 55 2HG GLN 9 1HG GLN 9 -4.204 7.153 -6.069 56 1HE2 GLN 9 1HE2 GLN 9 -3.719 9.084 -4.761 57 2HE2 GLN 9 2HE2 GLN 9 -2.363 10.048 -5.105 58 H CYS 10 H CYS 10 -2.311 2.958 -4.685 59 HA CYS 10 HA CYS 10 -1.395 2.782 -1.976 60 1HB CYS 10 2HB CYS 10 -3.181 1.351 -3.164 61 2HB CYS 10 1HB CYS 10 -1.831 0.397 -3.774 62 H HIS 11 H HIS 11 -0.005 1.693 -5.061 63 HA HIS 11 HA HIS 11 2.251 0.317 -3.961 64 1HB HIS 11 2HB HIS 11 1.587 0.022 -6.304 65 2HB HIS 11 1HB HIS 11 1.942 1.717 -6.637 66 HD1 HIS 11 HD1 HIS 11 3.757 -1.395 -5.376 67 HD2 HIS 11 HD2 HIS 11 4.567 2.154 -7.404 68 HE1 HIS 11 HE1 HIS 11 6.199 -1.490 -6.040 69 H ARG 12 H ARG 12 1.852 3.704 -5.064 70 HA ARG 12 HA ARG 12 4.529 4.550 -4.606 71 1HB ARG 12 2HB ARG 12 2.246 5.770 -5.525 72 2HB ARG 12 1HB ARG 12 2.452 6.543 -3.952 73 1HG ARG 12 2HG ARG 12 5.019 6.352 -5.234 74 2HG ARG 12 1HG ARG 12 3.875 7.087 -6.356 75 1HD ARG 12 2HD ARG 12 3.578 8.119 -3.634 76 2HD ARG 12 1HD ARG 12 5.192 8.397 -4.285 77 HE ARG 12 HE ARG 12 4.247 9.855 -5.913 78 1HH1 ARG 12 1HH2 ARG 12 1.981 8.218 -6.867 79 2HH1 ARG 12 2HH2 ARG 12 0.599 9.082 -6.282 80 1HH2 ARG 12 2HH1 ARG 12 2.424 10.937 -3.969 81 2HH2 ARG 12 1HH1 ARG 12 0.853 10.627 -4.626 82 H HIS 13 H HIS 13 1.766 4.285 -2.390 83 HA HIS 13 HA HIS 13 2.996 5.573 -0.139 84 1HB HIS 13 2HB HIS 13 0.598 5.184 -0.143 85 2HB HIS 13 1HB HIS 13 0.837 3.444 -0.299 86 HD1 HIS 13 HD1 HIS 13 1.999 6.165 2.130 87 HD2 HIS 13 HD2 HIS 13 0.684 2.211 2.153 88 HE1 HIS 13 HE1 HIS 13 1.958 5.440 4.556 89 H CYS 14 H CYS 14 2.915 2.181 -1.234 90 HA CYS 14 HA CYS 14 4.399 1.113 0.990 91 1HB CYS 14 2HB CYS 14 4.063 0.107 -1.852 92 2HB CYS 14 1HB CYS 14 4.811 -0.821 -0.553 93 H LYS 15 H LYS 15 5.327 2.599 -2.077 94 HA LYS 15 HA LYS 15 8.086 1.868 -2.097 95 1HB LYS 15 2HB LYS 15 6.557 4.203 -3.256 96 2HB LYS 15 1HB LYS 15 8.306 4.069 -3.441 97 1HG LYS 15 2HG LYS 15 7.650 1.584 -4.193 98 2HG LYS 15 1HG LYS 15 6.139 2.386 -4.621 99 1HD LYS 15 2HD LYS 15 7.077 3.371 -6.420 100 2HD LYS 15 1HD LYS 15 8.441 3.955 -5.466 101 1HE LYS 15 2HE LYS 15 8.252 1.061 -6.300 102 2HE LYS 15 1HE LYS 15 8.939 2.275 -7.377 103 1HZ LYS 15 1HZ LYS 15 10.761 1.498 -6.204 104 2HZ LYS 15 2HZ LYS 15 9.909 1.381 -4.738 105 3HZ LYS 15 3HZ LYS 15 10.352 2.905 -5.347 106 H SER 16 H SER 16 6.379 4.613 -0.574 107 HA SER 16 HA SER 16 8.816 5.829 0.431 108 1HB SER 16 2HB SER 16 7.185 7.106 1.924 109 2HB SER 16 1HB SER 16 6.949 7.294 0.190 110 HG SER 16 HG SER 16 5.489 5.714 2.032 111 H ILE 17 H ILE 17 6.660 3.307 1.574 112 HA ILE 17 HA ILE 17 7.522 3.383 4.344 113 HB ILE 17 HB ILE 17 6.214 1.175 2.720 114 1HG1 ILE 17 2HG1 ILE 17 5.021 3.003 4.825 115 2HG1 ILE 17 1HG1 ILE 17 4.938 3.343 3.097 116 1HG2 ILE 17 1HG2 ILE 17 5.728 0.111 4.866 117 2HG2 ILE 17 2HG2 ILE 17 6.533 1.420 5.730 118 3HG2 ILE 17 3HG2 ILE 17 7.471 0.329 4.709 119 1HD1 ILE 17 1HD1 ILE 17 3.378 1.722 2.722 120 2HD1 ILE 17 2HD1 ILE 17 3.059 1.897 4.447 121 3HD1 ILE 17 3HD1 ILE 17 4.117 0.608 3.873 122 HA PRO 18 HA PRO 18 11.437 1.417 3.635 123 1HB PRO 18 2HB PRO 18 12.116 1.192 6.291 124 2HB PRO 18 1HB PRO 18 12.238 2.699 5.369 125 1HG PRO 18 2HG PRO 18 10.222 1.912 7.420 126 2HG PRO 18 1HG PRO 18 10.774 3.529 6.952 127 1HD PRO 18 2HD PRO 18 8.349 2.311 6.152 128 2HD PRO 18 1HD PRO 18 9.070 3.771 5.440 129 H GLY 19 H GLY 19 12.152 -0.713 3.564 130 1HA GLY 19 2HA GLY 19 12.288 -3.013 4.127 131 2HA GLY 19 1HA GLY 19 11.086 -2.751 5.387 132 H ARG 20 H ARG 20 10.082 -1.437 2.391 133 HA ARG 20 HA ARG 20 8.615 -3.940 1.688 134 1HB ARG 20 2HB ARG 20 7.350 -1.195 1.587 135 2HB ARG 20 1HB ARG 20 6.555 -2.755 1.400 136 1HG ARG 20 2HG ARG 20 8.006 -2.085 3.958 137 2HG ARG 20 1HG ARG 20 6.357 -1.522 3.692 138 1HD ARG 20 2HD ARG 20 6.099 -4.125 2.952 139 2HD ARG 20 1HD ARG 20 7.360 -4.269 4.174 140 HE ARG 20 HE ARG 20 4.575 -3.391 4.655 141 1HH1 ARG 20 2HH1 ARG 20 6.668 -1.710 6.146 142 2HH1 ARG 20 1HH1 ARG 20 6.750 -2.555 7.656 143 1HH2 ARG 20 1HH2 ARG 20 5.161 -5.402 6.454 144 2HH2 ARG 20 2HH2 ARG 20 5.893 -4.647 7.832 145 H CYS 21 H CYS 21 8.150 -4.167 -0.547 146 HA CYS 21 HA CYS 21 9.705 -2.327 -2.314 147 1HB CYS 21 2HB CYS 21 9.569 -5.172 -2.157 148 2HB CYS 21 1HB CYS 21 8.842 -4.693 -3.690 149 H GLY 22 H GLY 22 6.700 -4.272 -2.318 150 1HA GLY 22 2HA GLY 22 5.359 -2.049 -3.780 151 2HA GLY 22 1HA GLY 22 5.200 -3.702 -4.375 152 H GLY 23 H GLY 23 2.822 -2.792 -3.860 153 1HA GLY 23 2HA GLY 23 1.929 -4.283 -1.530 154 2HA GLY 23 1HA GLY 23 1.766 -2.547 -1.301 155 H TYR 24 H TYR 24 -0.560 -3.488 -1.146 156 HA TYR 24 HA TYR 24 -1.936 -2.818 -3.653 157 1HB TYR 24 2HB TYR 24 -3.140 -4.917 -3.857 158 2HB TYR 24 1HB TYR 24 -1.415 -5.280 -3.836 159 HD1 TYR 24 HD1 TYR 24 -0.338 -6.098 -1.704 160 HD2 TYR 24 HD2 TYR 24 -4.595 -5.694 -2.126 161 HE1 TYR 24 HE1 TYR 24 -0.675 -7.544 0.281 162 HE2 TYR 24 HE2 TYR 24 -4.929 -7.141 -0.143 163 HH TYR 24 HH TYR 24 -3.276 -9.110 0.996 164 H CYS 25 H CYS 25 -4.344 -2.729 -3.280 165 HA CYS 25 HA CYS 25 -4.899 -1.730 -0.558 166 1HB CYS 25 2HB CYS 25 -6.519 -1.728 -3.118 167 2HB CYS 25 1HB CYS 25 -7.126 -1.104 -1.584 168 H GLY 26 H GLY 26 -5.569 -3.174 0.941 169 1HA GLY 26 2HA GLY 26 -7.851 -4.869 0.588 170 2HA GLY 26 1HA GLY 26 -6.386 -5.838 0.434 171 H GLY 27 H GLY 27 -8.497 -5.751 2.586 172 1HA GLY 27 2HA GLY 27 -7.609 -6.563 4.858 173 2HA GLY 27 1HA GLY 27 -6.766 -5.015 4.912 174 H TRP 28 H TRP 28 -8.095 -3.055 4.947 175 HA TRP 28 HA TRP 28 -10.652 -3.510 6.383 176 1HB TRP 28 2HB TRP 28 -8.892 -2.027 7.393 177 2HB TRP 28 1HB TRP 28 -9.101 -0.927 6.032 178 HD1 TRP 28 HD1 TRP 28 -11.064 -2.402 8.998 179 HE1 TRP 28 HE1 TRP 28 -12.973 -0.781 9.597 180 HE3 TRP 28 HE3 TRP 28 -10.582 0.979 5.199 181 HZ2 TRP 28 HZ2 TRP 28 -14.142 1.630 8.603 182 HZ3 TRP 28 HZ3 TRP 28 -12.107 2.926 5.052 183 HH2 TRP 28 HH2 TRP 28 -13.885 3.254 6.746 184 H HIS 29 H HIS 29 -12.056 -3.944 4.654 185 HA HIS 29 HA HIS 29 -13.505 -3.459 2.887 186 1HB HIS 29 2HB HIS 29 -12.921 -0.588 3.681 187 2HB HIS 29 1HB HIS 29 -14.324 -1.157 2.780 188 HD1 HIS 29 HD1 HIS 29 -14.345 0.233 5.688 189 HD2 HIS 29 HD2 HIS 29 -14.771 -3.835 4.896 190 HE1 HIS 29 HE1 HIS 29 -15.505 -0.771 7.703 191 H ARG 30 H ARG 30 -10.630 -3.719 2.296 192 HA ARG 30 HA ARG 30 -9.158 -3.427 0.501 193 1HB ARG 30 2HB ARG 30 -11.275 -4.087 -0.729 194 2HB ARG 30 1HB ARG 30 -11.580 -2.370 -0.982 195 1HG ARG 30 2HG ARG 30 -9.846 -2.136 -2.479 196 2HG ARG 30 1HG ARG 30 -8.874 -3.390 -1.710 197 1HD ARG 30 2HD ARG 30 -11.424 -4.257 -2.982 198 2HD ARG 30 1HD ARG 30 -10.112 -3.782 -4.062 199 HE ARG 30 HE ARG 30 -9.175 -5.596 -2.008 200 1HH1 ARG 30 1HH2 ARG 30 -8.149 -5.809 -4.737 201 2HH1 ARG 30 2HH2 ARG 30 -8.960 -7.204 -5.368 202 1HH2 ARG 30 2HH1 ARG 30 -11.424 -7.203 -2.915 203 2HH2 ARG 30 1HH1 ARG 30 -10.820 -7.997 -4.331 204 H LEU 31 H LEU 31 -9.697 -1.174 2.410 205 HA LEU 31 HA LEU 31 -8.957 1.123 0.652 206 1HB LEU 31 2HB LEU 31 -10.291 1.035 3.367 207 2HB LEU 31 1HB LEU 31 -9.664 2.521 2.654 208 HG LEU 31 HG LEU 31 -11.625 0.724 1.211 209 1HD1 LEU 31 1HD1 LEU 31 -12.197 3.178 2.898 210 2HD1 LEU 31 2HD1 LEU 31 -12.646 1.522 3.310 211 3HD1 LEU 31 3HD1 LEU 31 -13.375 2.312 1.913 212 1HD2 LEU 31 1HD2 LEU 31 -10.337 2.278 -0.194 213 2HD2 LEU 31 2HD2 LEU 31 -10.786 3.621 0.857 214 3HD2 LEU 31 3HD2 LEU 31 -12.019 2.801 -0.099 215 H ARG 32 H ARG 32 -7.752 -1.045 3.034 216 HA ARG 32 HA ARG 32 -5.686 0.814 4.020 217 1HB ARG 32 2HB ARG 32 -6.744 -0.954 5.488 218 2HB ARG 32 1HB ARG 32 -5.926 -2.170 4.506 219 1HG ARG 32 2HG ARG 32 -3.774 -1.430 5.175 220 2HG ARG 32 1HG ARG 32 -4.402 0.098 5.794 221 1HD ARG 32 2HD ARG 32 -5.307 -2.522 6.976 222 2HD ARG 32 1HD ARG 32 -3.804 -1.768 7.507 223 HE ARG 32 HE ARG 32 -6.389 -0.267 7.621 224 1HH1 ARG 32 1HH2 ARG 32 -3.584 0.747 8.477 225 2HH1 ARG 32 2HH2 ARG 32 -3.721 0.614 10.199 226 1HH2 ARG 32 2HH1 ARG 32 -6.541 -1.414 10.080 227 2HH2 ARG 32 1HH1 ARG 32 -5.401 -0.615 11.108 228 H CYS 33 H CYS 33 -3.487 0.664 3.464 229 HA CYS 33 HA CYS 33 -2.938 -0.775 0.929 230 1HB CYS 33 2HB CYS 33 -1.788 1.588 2.322 231 2HB CYS 33 1HB CYS 33 -0.662 0.603 1.386 232 H THR 34 H THR 34 -2.294 -2.852 1.279 233 HA THR 34 HA THR 34 -0.546 -3.460 3.600 234 HB THR 34 HB THR 34 -1.981 -5.278 1.638 235 HG1 THR 34 HG1 THR 34 -2.440 -4.705 4.383 236 1HG2 THR 34 1HG2 THR 34 -1.366 -7.039 3.368 237 2HG2 THR 34 2HG2 THR 34 -0.245 -5.858 4.047 238 3HG2 THR 34 3HG2 THR 34 -0.024 -6.436 2.395 239 H CYS 35 H CYS 35 1.593 -3.244 3.198 240 HA CYS 35 HA CYS 35 2.620 -3.761 0.452 241 1HB CYS 35 2HB CYS 35 4.207 -2.575 2.728 242 2HB CYS 35 1HB CYS 35 4.484 -2.408 0.995 243 H TYR 36 H TYR 36 4.393 -5.184 0.119 244 HA TYR 36 HA TYR 36 4.841 -7.125 2.352 245 1HB TYR 36 2HB TYR 36 5.566 -8.644 0.334 246 2HB TYR 36 1HB TYR 36 3.855 -8.426 0.686 247 HD1 TYR 36 HD1 TYR 36 6.638 -7.375 -1.535 248 HD2 TYR 36 HD2 TYR 36 2.403 -7.233 -0.817 249 HE1 TYR 36 HE1 TYR 36 6.280 -6.451 -3.809 250 HE2 TYR 36 HE2 TYR 36 2.048 -6.308 -3.088 251 HH TYR 36 HH TYR 36 3.389 -6.416 -5.350 252 H ARG 37 H ARG 37 6.998 -8.097 2.469 253 HA ARG 37 HA ARG 37 9.113 -6.148 2.270 254 1HB ARG 37 2HB ARG 37 8.927 -9.039 3.030 255 2HB ARG 37 1HB ARG 37 10.520 -8.359 2.688 256 1HG ARG 37 2HG ARG 37 10.266 -6.686 4.389 257 2HG ARG 37 1HG ARG 37 8.558 -7.071 4.600 258 1HD ARG 37 2HD ARG 37 10.354 -9.379 4.950 259 2HD ARG 37 1HD ARG 37 10.594 -8.098 6.138 260 HE ARG 37 HE ARG 37 7.785 -8.652 5.851 261 1HH1 ARG 37 2HH1 ARG 37 9.700 -8.421 8.332 262 2HH1 ARG 37 1HH1 ARG 37 9.405 -9.961 9.067 263 1HH2 ARG 37 1HH2 ARG 37 7.841 -11.295 6.264 264 2HH2 ARG 37 2HH2 ARG 37 8.348 -11.594 7.892 265 H CYS 38 H CYS 38 11.084 -6.372 0.995 266 HA CYS 38 HA CYS 38 10.495 -7.262 -1.763 267 1HB CYS 38 2HB CYS 38 11.666 -5.018 -0.963 268 2HB CYS 38 1HB CYS 38 13.110 -6.028 -0.987 269 H GLY 39 HN GLY 39 11.184 -9.196 -2.500 270 1HA GLY 39 2HA GLY 39 13.102 -10.769 -0.886 271 2HA GLY 39 1HA GLY 39 12.123 -11.386 -2.218 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -7.439 3.280 2.329 2 2H GLY 1 2H GLY 1 -8.480 4.413 1.607 3 3H GLY 1 3H GLY 1 -8.582 4.104 3.275 4 1HA GLY 1 2HA GLY 1 -7.375 6.222 2.459 5 2HA GLY 1 1HA GLY 1 -6.680 5.274 3.772 6 H PHE 2 H PHE 2 -4.922 6.791 2.452 7 HA PHE 2 HA PHE 2 -2.900 6.761 1.277 8 1HB PHE 2 2HB PHE 2 -3.262 3.757 1.532 9 2HB PHE 2 1HB PHE 2 -1.760 4.574 1.100 10 HD1 PHE 2 HD1 PHE 2 -3.395 3.067 3.745 11 HD2 PHE 2 HD2 PHE 2 -1.263 6.678 2.816 12 HE1 PHE 2 HE1 PHE 2 -2.879 3.383 6.149 13 HE2 PHE 2 HE2 PHE 2 -0.746 6.993 5.220 14 HZ PHE 2 HZ PHE 2 -1.555 5.345 6.887 15 H GLY 3 H GLY 3 -5.322 6.949 -0.269 16 1HA GLY 3 2HA GLY 3 -5.891 7.010 -2.537 17 2HA GLY 3 1HA GLY 3 -4.273 6.415 -2.897 18 H CYS 4 H CYS 4 -7.107 5.048 -1.171 19 HA CYS 4 HA CYS 4 -6.792 2.593 -2.849 20 1HB CYS 4 2HB CYS 4 -7.542 2.992 0.031 21 2HB CYS 4 1HB CYS 4 -8.151 1.582 -0.834 22 HA PRO 5 HA PRO 5 -8.042 0.712 -2.757 23 1HB PRO 5 2HB PRO 5 -9.379 -0.558 -4.790 24 2HB PRO 5 1HB PRO 5 -9.952 -0.512 -3.113 25 1HG PRO 5 2HG PRO 5 -10.977 0.969 -5.485 26 2HG PRO 5 1HG PRO 5 -11.820 0.515 -3.996 27 1HD PRO 5 2HD PRO 5 -10.780 3.086 -4.623 28 2HD PRO 5 1HD PRO 5 -11.394 2.550 -3.044 29 H ASN 6 H ASN 6 -7.602 3.234 -4.674 30 HA ASN 6 HA ASN 6 -6.806 2.384 -7.240 31 1HB ASN 6 2HB ASN 6 -6.868 4.770 -6.279 32 2HB ASN 6 1HB ASN 6 -5.261 4.429 -5.638 33 1HD2 ASN 6 1HD2 ASN 6 -7.095 4.955 -8.620 34 2HD2 ASN 6 2HD2 ASN 6 -5.742 5.068 -9.638 35 H ASN 7 H ASN 7 -5.064 1.261 -8.020 36 HA ASN 7 HA ASN 7 -3.353 -0.142 -6.111 37 1HB ASN 7 2HB ASN 7 -3.671 -0.200 -9.108 38 2HB ASN 7 1HB ASN 7 -2.326 -1.032 -8.327 39 1HD2 ASN 7 1HD2 ASN 7 -5.747 -1.195 -8.985 40 2HD2 ASN 7 2HD2 ASN 7 -6.046 -2.632 -8.135 41 H TYR 8 H TYR 8 -2.811 2.289 -8.691 42 HA TYR 8 HA TYR 8 0.024 2.430 -8.376 43 1HB TYR 8 2HB TYR 8 -0.915 3.439 -10.334 44 2HB TYR 8 1HB TYR 8 -2.005 4.444 -9.377 45 HD1 TYR 8 HD1 TYR 8 1.675 3.736 -9.696 46 HD2 TYR 8 HD2 TYR 8 -1.397 6.659 -9.005 47 HE1 TYR 8 HE1 TYR 8 3.395 5.517 -9.576 48 HE2 TYR 8 HE2 TYR 8 0.323 8.440 -8.890 49 HH TYR 8 HH TYR 8 3.585 7.822 -8.509 50 H GLN 9 H GLN 9 -2.546 4.497 -6.967 51 HA GLN 9 HA GLN 9 -0.816 6.107 -5.377 52 1HB GLN 9 2HB GLN 9 -3.708 5.307 -4.942 53 2HB GLN 9 1HB GLN 9 -2.873 6.537 -3.995 54 1HG GLN 9 2HG GLN 9 -3.109 6.628 -7.015 55 2HG GLN 9 1HG GLN 9 -4.218 7.456 -5.925 56 1HE2 GLN 9 1HE2 GLN 9 -1.936 8.404 -7.884 57 2HE2 GLN 9 2HE2 GLN 9 -1.069 9.513 -6.936 58 H CYS 10 H CYS 10 -2.559 3.093 -4.557 59 HA CYS 10 HA CYS 10 -1.637 2.927 -1.852 60 1HB CYS 10 2HB CYS 10 -3.491 1.553 -2.928 61 2HB CYS 10 1HB CYS 10 -2.225 0.575 -3.667 62 H HIS 11 H HIS 11 -0.328 1.671 -4.907 63 HA HIS 11 HA HIS 11 1.877 0.221 -3.822 64 1HB HIS 11 2HB HIS 11 0.958 0.276 -6.254 65 2HB HIS 11 1HB HIS 11 1.996 1.685 -6.461 66 HD1 HIS 11 HD1 HIS 11 2.051 -1.973 -6.449 67 HD2 HIS 11 HD2 HIS 11 4.841 1.073 -5.897 68 HE1 HIS 11 HE1 HIS 11 4.336 -3.037 -6.704 69 H ARG 12 H ARG 12 1.646 3.610 -4.965 70 HA ARG 12 HA ARG 12 4.357 4.336 -4.506 71 1HB ARG 12 2HB ARG 12 2.270 5.643 -5.569 72 2HB ARG 12 1HB ARG 12 2.226 6.352 -3.953 73 1HG ARG 12 2HG ARG 12 4.781 6.705 -4.275 74 2HG ARG 12 1HG ARG 12 4.447 6.450 -5.989 75 1HD ARG 12 2HD ARG 12 3.455 8.477 -6.213 76 2HD ARG 12 1HD ARG 12 2.571 8.309 -4.696 77 HE ARG 12 HE ARG 12 4.766 8.970 -3.566 78 1HH1 ARG 12 1HH2 ARG 12 3.395 11.285 -4.958 79 2HH1 ARG 12 2HH2 ARG 12 4.710 11.995 -5.833 80 1HH2 ARG 12 2HH1 ARG 12 6.767 9.212 -5.515 81 2HH2 ARG 12 1HH1 ARG 12 6.625 10.816 -6.150 82 H HIS 13 H HIS 13 1.551 4.360 -2.306 83 HA HIS 13 HA HIS 13 2.834 5.619 -0.085 84 1HB HIS 13 2HB HIS 13 0.440 5.369 -0.044 85 2HB HIS 13 1HB HIS 13 0.556 3.622 -0.244 86 HD1 HIS 13 HD1 HIS 13 1.952 6.167 2.256 87 HD2 HIS 13 HD2 HIS 13 0.232 2.371 2.183 88 HE1 HIS 13 HE1 HIS 13 1.820 5.395 4.665 89 H CYS 14 H CYS 14 2.616 2.195 -1.049 90 HA CYS 14 HA CYS 14 4.066 1.192 1.236 91 1HB CYS 14 2HB CYS 14 3.477 0.041 -1.499 92 2HB CYS 14 1HB CYS 14 4.357 -0.851 -0.259 93 H LYS 15 H LYS 15 4.999 2.416 -1.935 94 HA LYS 15 HA LYS 15 7.717 1.505 -1.930 95 1HB LYS 15 2HB LYS 15 6.333 3.817 -3.305 96 2HB LYS 15 1HB LYS 15 8.044 3.458 -3.547 97 1HG LYS 15 2HG LYS 15 7.104 1.002 -3.971 98 2HG LYS 15 1HG LYS 15 5.640 1.891 -4.388 99 1HD LYS 15 2HD LYS 15 6.544 2.743 -6.295 100 2HD LYS 15 1HD LYS 15 8.121 2.998 -5.545 101 1HE LYS 15 2HE LYS 15 7.732 0.192 -5.652 102 2HE LYS 15 1HE LYS 15 7.262 0.821 -7.231 103 1HZ LYS 15 1HZ LYS 15 9.575 0.418 -7.309 104 2HZ LYS 15 2HZ LYS 15 9.846 1.197 -5.822 105 3HZ LYS 15 3HZ LYS 15 9.400 2.102 -7.191 106 H SER 16 H SER 16 6.223 4.566 -0.796 107 HA SER 16 HA SER 16 8.676 5.818 -0.013 108 1HB SER 16 2HB SER 16 7.213 7.218 1.478 109 2HB SER 16 1HB SER 16 6.666 7.155 -0.193 110 HG SER 16 HG SER 16 5.608 5.927 2.105 111 H ILE 17 H ILE 17 6.676 3.381 1.538 112 HA ILE 17 HA ILE 17 7.875 3.636 4.171 113 HB ILE 17 HB ILE 17 6.330 1.371 2.866 114 1HG1 ILE 17 2HG1 ILE 17 5.346 3.133 5.093 115 2HG1 ILE 17 1HG1 ILE 17 5.308 3.739 3.437 116 1HG2 ILE 17 1HG2 ILE 17 7.812 0.582 4.712 117 2HG2 ILE 17 2HG2 ILE 17 6.102 0.441 5.117 118 3HG2 ILE 17 3HG2 ILE 17 7.060 1.761 5.787 119 1HD1 ILE 17 1HD1 ILE 17 4.234 1.334 2.984 120 2HD1 ILE 17 2HD1 ILE 17 3.249 2.707 3.487 121 3HD1 ILE 17 3HD1 ILE 17 3.762 1.507 4.674 122 HA PRO 18 HA PRO 18 11.641 1.566 3.074 123 1HB PRO 18 2HB PRO 18 12.671 1.489 5.623 124 2HB PRO 18 1HB PRO 18 12.678 2.937 4.601 125 1HG PRO 18 2HG PRO 18 10.953 2.307 6.950 126 2HG PRO 18 1HG PRO 18 11.448 3.884 6.312 127 1HD PRO 18 2HD PRO 18 8.928 2.656 5.924 128 2HD PRO 18 1HD PRO 18 9.555 4.058 5.032 129 H GLY 19 H GLY 19 12.363 -0.567 3.068 130 1HA GLY 19 2HA GLY 19 12.588 -2.816 3.823 131 2HA GLY 19 1HA GLY 19 11.435 -2.478 5.112 132 H ARG 20 H ARG 20 10.742 -1.664 1.750 133 HA ARG 20 HA ARG 20 9.116 -4.093 1.372 134 1HB ARG 20 2HB ARG 20 7.986 -1.435 2.028 135 2HB ARG 20 1HB ARG 20 7.222 -2.276 0.681 136 1HG ARG 20 2HG ARG 20 6.049 -3.417 2.240 137 2HG ARG 20 1HG ARG 20 7.550 -4.280 2.572 138 1HD ARG 20 2HD ARG 20 8.113 -2.310 4.146 139 2HD ARG 20 1HD ARG 20 6.404 -1.901 4.022 140 HE ARG 20 HE ARG 20 6.396 -4.598 4.683 141 1HH1 ARG 20 1HH2 ARG 20 9.047 -3.583 5.986 142 2HH1 ARG 20 2HH2 ARG 20 8.497 -3.306 7.604 143 1HH2 ARG 20 2HH1 ARG 20 5.125 -3.441 6.759 144 2HH2 ARG 20 1HH1 ARG 20 6.264 -3.231 8.045 145 H CYS 21 H CYS 21 7.907 -3.876 -0.826 146 HA CYS 21 HA CYS 21 9.620 -2.383 -2.767 147 1HB CYS 21 2HB CYS 21 9.234 -5.248 -2.523 148 2HB CYS 21 1HB CYS 21 8.691 -4.675 -4.101 149 H GLY 22 H GLY 22 6.476 -4.042 -2.309 150 1HA GLY 22 2HA GLY 22 5.205 -1.876 -3.896 151 2HA GLY 22 1HA GLY 22 4.912 -3.543 -4.383 152 H GLY 23 H GLY 23 2.624 -2.583 -3.864 153 1HA GLY 23 2HA GLY 23 1.726 -3.806 -1.398 154 2HA GLY 23 1HA GLY 23 1.684 -2.050 -1.286 155 H TYR 24 H TYR 24 -0.678 -3.395 -1.070 156 HA TYR 24 HA TYR 24 -2.140 -2.434 -3.447 157 1HB TYR 24 2HB TYR 24 -3.325 -4.560 -3.790 158 2HB TYR 24 1HB TYR 24 -1.591 -4.788 -4.005 159 HD1 TYR 24 HD1 TYR 24 -4.518 -5.660 -2.026 160 HD2 TYR 24 HD2 TYR 24 -0.227 -5.812 -2.154 161 HE1 TYR 24 HE1 TYR 24 -4.526 -7.393 -0.252 162 HE2 TYR 24 HE2 TYR 24 -0.235 -7.543 -0.381 163 HH TYR 24 HH TYR 24 -2.475 -8.104 1.632 164 H CYS 25 H CYS 25 -4.512 -2.397 -3.050 165 HA CYS 25 HA CYS 25 -5.086 -1.749 -0.235 166 1HB CYS 25 2HB CYS 25 -6.883 -1.626 -2.679 167 2HB CYS 25 1HB CYS 25 -7.253 -0.957 -1.090 168 H GLY 26 H GLY 26 -5.611 -3.431 1.086 169 1HA GLY 26 2HA GLY 26 -7.860 -5.157 0.480 170 2HA GLY 26 1HA GLY 26 -6.333 -6.031 0.361 171 H GLY 27 H GLY 27 -8.709 -5.893 2.393 172 1HA GLY 27 2HA GLY 27 -8.044 -6.948 4.648 173 2HA GLY 27 1HA GLY 27 -7.052 -5.506 4.853 174 H TRP 28 H TRP 28 -8.170 -3.424 4.961 175 HA TRP 28 HA TRP 28 -10.740 -3.661 6.381 176 1HB TRP 28 2HB TRP 28 -8.828 -2.180 7.169 177 2HB TRP 28 1HB TRP 28 -9.175 -1.134 5.794 178 HD1 TRP 28 HD1 TRP 28 -10.822 -2.485 8.997 179 HE1 TRP 28 HE1 TRP 28 -12.678 -0.849 9.713 180 HE3 TRP 28 HE3 TRP 28 -10.749 0.726 5.028 181 HZ2 TRP 28 HZ2 TRP 28 -13.962 1.510 8.734 182 HZ3 TRP 28 HZ3 TRP 28 -12.296 2.659 4.947 183 HH2 TRP 28 HH2 TRP 28 -13.903 3.054 6.792 184 H HIS 29 H HIS 29 -12.137 -4.221 4.639 185 HA HIS 29 HA HIS 29 -13.624 -3.796 2.886 186 1HB HIS 29 2HB HIS 29 -13.067 -0.881 3.509 187 2HB HIS 29 1HB HIS 29 -14.512 -1.549 2.758 188 HD1 HIS 29 HD1 HIS 29 -14.258 0.033 5.597 189 HD2 HIS 29 HD2 HIS 29 -14.832 -4.056 5.038 190 HE1 HIS 29 HE1 HIS 29 -15.273 -0.848 7.745 191 H ARG 30 H ARG 30 -10.742 -4.035 2.286 192 HA ARG 30 HA ARG 30 -9.301 -3.793 0.455 193 1HB ARG 30 2HB ARG 30 -11.447 -4.454 -0.739 194 2HB ARG 30 1HB ARG 30 -11.735 -2.737 -1.012 195 1HG ARG 30 2HG ARG 30 -9.902 -2.521 -2.450 196 2HG ARG 30 1HG ARG 30 -9.094 -3.945 -1.796 197 1HD ARG 30 2HD ARG 30 -10.358 -5.414 -3.057 198 2HD ARG 30 1HD ARG 30 -11.749 -4.332 -3.115 199 HE ARG 30 HE ARG 30 -10.044 -2.935 -4.647 200 1HH1 ARG 30 2HH1 ARG 30 -8.194 -5.192 -5.041 201 2HH1 ARG 30 1HH1 ARG 30 -8.838 -5.994 -6.436 202 1HH2 ARG 30 1HH2 ARG 30 -11.945 -4.450 -6.212 203 2HH2 ARG 30 2HH2 ARG 30 -10.970 -5.569 -7.104 204 H LEU 31 H LEU 31 -9.782 -1.533 2.355 205 HA LEU 31 HA LEU 31 -9.053 0.751 0.571 206 1HB LEU 31 2HB LEU 31 -10.348 0.777 3.311 207 2HB LEU 31 1HB LEU 31 -9.863 2.216 2.417 208 HG LEU 31 HG LEU 31 -11.714 0.165 1.202 209 1HD1 LEU 31 1HD1 LEU 31 -13.609 1.506 1.963 210 2HD1 LEU 31 2HD1 LEU 31 -12.519 2.621 2.788 211 3HD1 LEU 31 3HD1 LEU 31 -12.679 0.960 3.358 212 1HD2 LEU 31 1HD2 LEU 31 -11.113 3.096 0.709 213 2HD2 LEU 31 2HD2 LEU 31 -12.432 2.227 -0.076 214 3HD2 LEU 31 3HD2 LEU 31 -10.761 1.741 -0.364 215 H ARG 32 H ARG 32 -7.906 -1.338 3.074 216 HA ARG 32 HA ARG 32 -5.900 0.559 4.083 217 1HB ARG 32 2HB ARG 32 -7.039 -1.424 5.373 218 2HB ARG 32 1HB ARG 32 -5.812 -2.410 4.577 219 1HG ARG 32 2HG ARG 32 -4.692 0.040 5.717 220 2HG ARG 32 1HG ARG 32 -5.468 -0.969 6.936 221 1HD ARG 32 2HD ARG 32 -4.149 -2.910 6.187 222 2HD ARG 32 1HD ARG 32 -3.380 -1.917 4.948 223 HE ARG 32 HE ARG 32 -2.985 -1.561 7.890 224 1HH1 ARG 32 2HH1 ARG 32 -2.489 0.909 6.271 225 2HH1 ARG 32 1HH1 ARG 32 -0.802 0.775 5.900 226 1HH2 ARG 32 1HH2 ARG 32 -0.632 -2.609 6.703 227 2HH2 ARG 32 2HH2 ARG 32 0.256 -1.230 6.146 228 H CYS 33 H CYS 33 -3.732 0.583 3.485 229 HA CYS 33 HA CYS 33 -3.070 -0.827 0.977 230 1HB CYS 33 2HB CYS 33 -1.953 1.486 2.492 231 2HB CYS 33 1HB CYS 33 -0.834 0.563 1.491 232 H THR 34 H THR 34 -2.444 -2.914 1.293 233 HA THR 34 HA THR 34 -0.751 -3.617 3.621 234 HB THR 34 HB THR 34 -1.986 -5.354 1.456 235 HG1 THR 34 HG1 THR 34 -3.679 -5.275 2.672 236 1HG2 THR 34 1HG2 THR 34 -0.092 -5.882 3.658 237 2HG2 THR 34 2HG2 THR 34 -0.416 -6.822 2.200 238 3HG2 THR 34 3HG2 THR 34 -1.475 -6.973 3.602 239 H CYS 35 H CYS 35 1.410 -3.350 3.343 240 HA CYS 35 HA CYS 35 2.576 -3.633 0.614 241 1HB CYS 35 2HB CYS 35 4.089 -2.665 3.034 242 2HB CYS 35 1HB CYS 35 4.365 -2.286 1.335 243 H TYR 36 H TYR 36 4.397 -5.036 0.278 244 HA TYR 36 HA TYR 36 4.733 -7.107 2.410 245 1HB TYR 36 2HB TYR 36 5.578 -8.483 0.300 246 2HB TYR 36 1HB TYR 36 3.865 -8.385 0.693 247 HD1 TYR 36 HD1 TYR 36 6.532 -7.169 -1.561 248 HD2 TYR 36 HD2 TYR 36 2.331 -7.074 -0.662 249 HE1 TYR 36 HE1 TYR 36 6.079 -6.147 -3.775 250 HE2 TYR 36 HE2 TYR 36 1.880 -6.051 -2.874 251 HH TYR 36 HH TYR 36 3.412 -6.157 -5.296 252 H ARG 37 H ARG 37 6.814 -7.753 2.962 253 HA ARG 37 HA ARG 37 8.935 -5.872 2.683 254 1HB ARG 37 2HB ARG 37 8.893 -8.775 3.520 255 2HB ARG 37 1HB ARG 37 10.375 -7.821 3.518 256 1HG ARG 37 2HG ARG 37 9.559 -6.329 5.163 257 2HG ARG 37 1HG ARG 37 7.889 -6.842 4.921 258 1HD ARG 37 2HD ARG 37 9.322 -9.178 5.606 259 2HD ARG 37 1HD ARG 37 9.872 -7.928 6.721 260 HE ARG 37 HE ARG 37 7.358 -7.542 7.162 261 1HH1 ARG 37 2HH1 ARG 37 6.593 -9.729 5.159 262 2HH1 ARG 37 1HH1 ARG 37 6.259 -11.052 6.226 263 1HH2 ARG 37 1HH2 ARG 37 7.844 -9.594 8.955 264 2HH2 ARG 37 2HH2 ARG 37 6.972 -10.976 8.383 265 H CYS 38 H CYS 38 10.728 -5.815 1.319 266 HA CYS 38 HA CYS 38 10.467 -7.337 -1.204 267 1HB CYS 38 2HB CYS 38 10.982 -4.789 -0.988 268 2HB CYS 38 1HB CYS 38 12.629 -5.318 -0.647 269 H GLY 39 HN GLY 39 11.594 -9.181 -1.507 270 1HA GLY 39 2HA GLY 39 13.806 -9.868 0.332 271 2HA GLY 39 1HA GLY 39 13.025 -10.971 -0.802 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -7.400 3.344 2.273 2 2H GLY 1 2H GLY 1 -8.347 4.443 1.388 3 3H GLY 1 3H GLY 1 -8.544 4.312 3.070 4 1HA GLY 1 2HA GLY 1 -7.246 6.301 2.250 5 2HA GLY 1 1HA GLY 1 -6.502 5.333 3.522 6 H PHE 2 H PHE 2 -4.760 6.783 2.130 7 HA PHE 2 HA PHE 2 -2.796 6.678 0.862 8 1HB PHE 2 2HB PHE 2 -3.218 3.678 0.837 9 2HB PHE 2 1HB PHE 2 -1.694 4.551 0.699 10 HD1 PHE 2 HD1 PHE 2 -3.743 2.771 2.914 11 HD2 PHE 2 HD2 PHE 2 -1.266 6.277 2.732 12 HE1 PHE 2 HE1 PHE 2 -3.498 2.728 5.380 13 HE2 PHE 2 HE2 PHE 2 -1.022 6.232 5.199 14 HZ PHE 2 HZ PHE 2 -2.137 4.456 6.523 15 H GLY 3 H GLY 3 -5.466 6.803 -0.500 16 1HA GLY 3 2HA GLY 3 -6.190 6.937 -2.719 17 2HA GLY 3 1HA GLY 3 -4.546 6.550 -3.214 18 H CYS 4 H CYS 4 -6.993 4.707 -1.350 19 HA CYS 4 HA CYS 4 -6.469 2.385 -3.141 20 1HB CYS 4 2HB CYS 4 -7.435 2.688 -0.318 21 2HB CYS 4 1HB CYS 4 -7.898 1.249 -1.229 22 HA PRO 5 HA PRO 5 -7.590 0.387 -3.002 23 1HB PRO 5 2HB PRO 5 -8.749 -1.122 -4.977 24 2HB PRO 5 1HB PRO 5 -9.400 -0.992 -3.334 25 1HG PRO 5 2HG PRO 5 -10.420 0.221 -5.852 26 2HG PRO 5 1HG PRO 5 -11.291 -0.160 -4.358 27 1HD PRO 5 2HD PRO 5 -10.367 2.410 -5.180 28 2HD PRO 5 1HD PRO 5 -11.049 1.981 -3.596 29 H ASN 6 H ASN 6 -7.356 2.781 -5.164 30 HA ASN 6 HA ASN 6 -6.303 1.645 -7.554 31 1HB ASN 6 2HB ASN 6 -6.909 4.131 -6.942 32 2HB ASN 6 1HB ASN 6 -5.221 4.219 -6.444 33 1HD2 ASN 6 1HD2 ASN 6 -4.298 5.406 -8.178 34 2HD2 ASN 6 2HD2 ASN 6 -4.378 4.915 -9.801 35 H ASN 7 H ASN 7 -4.468 0.515 -7.878 36 HA ASN 7 HA ASN 7 -2.556 0.054 -5.756 37 1HB ASN 7 2HB ASN 7 -2.898 -0.838 -8.573 38 2HB ASN 7 1HB ASN 7 -1.266 -0.921 -7.909 39 1HD2 ASN 7 1HD2 ASN 7 -0.978 -2.233 -5.892 40 2HD2 ASN 7 2HD2 ASN 7 -2.079 -3.477 -5.543 41 H TYR 8 H TYR 8 -2.709 2.364 -8.396 42 HA TYR 8 HA TYR 8 0.085 2.975 -8.556 43 1HB TYR 8 2HB TYR 8 -1.465 3.754 -10.280 44 2HB TYR 8 1HB TYR 8 -2.341 4.720 -9.094 45 HD1 TYR 8 HD1 TYR 8 0.922 4.336 -10.841 46 HD2 TYR 8 HD2 TYR 8 -1.556 6.870 -8.412 47 HE1 TYR 8 HE1 TYR 8 2.485 6.224 -11.212 48 HE2 TYR 8 HE2 TYR 8 0.007 8.755 -8.783 49 HH TYR 8 HH TYR 8 1.935 9.128 -11.019 50 H GLN 9 H GLN 9 -2.546 4.531 -6.688 51 HA GLN 9 HA GLN 9 -0.702 6.257 -5.248 52 1HB GLN 9 2HB GLN 9 -3.595 5.511 -4.718 53 2HB GLN 9 1HB GLN 9 -2.701 6.735 -3.815 54 1HG GLN 9 2HG GLN 9 -2.189 7.613 -6.301 55 2HG GLN 9 1HG GLN 9 -3.734 6.820 -6.611 56 1HE2 GLN 9 1HE2 GLN 9 -5.642 7.846 -5.822 57 2HE2 GLN 9 2HE2 GLN 9 -5.622 9.298 -4.946 58 H CYS 10 H CYS 10 -2.304 3.152 -4.635 59 HA CYS 10 HA CYS 10 -1.527 2.859 -1.898 60 1HB CYS 10 2HB CYS 10 -3.193 1.430 -3.235 61 2HB CYS 10 1HB CYS 10 -1.786 0.577 -3.865 62 H HIS 11 H HIS 11 0.057 1.893 -4.949 63 HA HIS 11 HA HIS 11 2.320 0.611 -3.750 64 1HB HIS 11 2HB HIS 11 1.704 0.369 -6.151 65 2HB HIS 11 1HB HIS 11 2.162 2.051 -6.418 66 HD1 HIS 11 HD1 HIS 11 3.894 -0.852 -4.622 67 HD2 HIS 11 HD2 HIS 11 4.689 2.048 -7.509 68 HE1 HIS 11 HE1 HIS 11 6.323 -1.141 -5.281 69 H ARG 12 H ARG 12 1.655 3.985 -4.628 70 HA ARG 12 HA ARG 12 4.261 5.055 -4.200 71 1HB ARG 12 2HB ARG 12 1.732 6.079 -4.828 72 2HB ARG 12 1HB ARG 12 2.135 6.835 -3.287 73 1HG ARG 12 2HG ARG 12 3.616 8.199 -4.289 74 2HG ARG 12 1HG ARG 12 4.462 6.821 -4.992 75 1HD ARG 12 2HD ARG 12 2.117 6.998 -6.493 76 2HD ARG 12 1HD ARG 12 2.593 8.679 -6.248 77 HE ARG 12 HE ARG 12 4.182 6.622 -7.681 78 1HH1 ARG 12 2HH1 ARG 12 6.052 8.342 -6.156 79 2HH1 ARG 12 1HH1 ARG 12 6.330 9.665 -7.238 80 1HH2 ARG 12 1HH2 ARG 12 3.557 8.969 -9.220 81 2HH2 ARG 12 2HH2 ARG 12 4.913 10.020 -8.980 82 H HIS 13 H HIS 13 1.540 4.542 -1.947 83 HA HIS 13 HA HIS 13 2.799 5.661 0.367 84 1HB HIS 13 2HB HIS 13 0.394 5.235 0.323 85 2HB HIS 13 1HB HIS 13 0.673 3.506 0.126 86 HD1 HIS 13 HD1 HIS 13 1.944 6.140 2.599 87 HD2 HIS 13 HD2 HIS 13 0.375 2.279 2.567 88 HE1 HIS 13 HE1 HIS 13 1.876 5.375 5.013 89 H CYS 14 H CYS 14 2.624 2.279 -0.805 90 HA CYS 14 HA CYS 14 4.210 1.168 1.313 91 1HB CYS 14 2HB CYS 14 3.663 0.238 -1.516 92 2HB CYS 14 1HB CYS 14 4.595 -0.712 -0.359 93 H LYS 15 H LYS 15 5.043 2.678 -1.776 94 HA LYS 15 HA LYS 15 7.788 1.918 -1.896 95 1HB LYS 15 2HB LYS 15 6.142 4.130 -3.061 96 2HB LYS 15 1HB LYS 15 7.898 4.283 -3.126 97 1HG LYS 15 2HG LYS 15 7.609 1.700 -3.929 98 2HG LYS 15 1HG LYS 15 6.111 2.393 -4.551 99 1HD LYS 15 2HD LYS 15 7.192 3.580 -6.148 100 2HD LYS 15 1HD LYS 15 8.458 4.093 -5.031 101 1HE LYS 15 2HE LYS 15 8.416 1.231 -5.916 102 2HE LYS 15 1HE LYS 15 9.007 2.449 -7.045 103 1HZ LYS 15 1HZ LYS 15 10.886 1.807 -5.864 104 2HZ LYS 15 2HZ LYS 15 10.063 1.737 -4.379 105 3HZ LYS 15 3HZ LYS 15 10.419 3.241 -5.087 106 H SER 16 H SER 16 6.210 4.750 -0.360 107 HA SER 16 HA SER 16 8.693 5.895 0.575 108 1HB SER 16 2HB SER 16 7.224 7.270 2.054 109 2HB SER 16 1HB SER 16 6.716 7.300 0.369 110 HG SER 16 HG SER 16 5.554 6.036 2.591 111 H ILE 17 H ILE 17 6.545 3.412 1.824 112 HA ILE 17 HA ILE 17 7.579 3.463 4.539 113 HB ILE 17 HB ILE 17 6.057 1.335 2.999 114 1HG1 ILE 17 2HG1 ILE 17 5.113 3.130 5.249 115 2HG1 ILE 17 1HG1 ILE 17 4.958 3.583 3.552 116 1HG2 ILE 17 1HG2 ILE 17 6.640 1.494 5.976 117 2HG2 ILE 17 2HG2 ILE 17 7.436 0.384 4.859 118 3HG2 ILE 17 3HG2 ILE 17 5.703 0.242 5.157 119 1HD1 ILE 17 1HD1 ILE 17 3.054 2.196 4.897 120 2HD1 ILE 17 2HD1 ILE 17 4.007 0.861 4.250 121 3HD1 ILE 17 3HD1 ILE 17 3.305 2.054 3.158 122 HA PRO 18 HA PRO 18 11.353 1.343 3.525 123 1HB PRO 18 2HB PRO 18 12.301 1.265 6.104 124 2HB PRO 18 1HB PRO 18 12.366 2.708 5.078 125 1HG PRO 18 2HG PRO 18 10.572 2.127 7.383 126 2HG PRO 18 1HG PRO 18 11.094 3.690 6.734 127 1HD PRO 18 2HD PRO 18 8.577 2.449 6.297 128 2HD PRO 18 1HD PRO 18 9.214 3.865 5.437 129 H GLY 19 H GLY 19 11.901 -0.828 3.453 130 1HA GLY 19 2HA GLY 19 12.115 -3.044 4.430 131 2HA GLY 19 1HA GLY 19 10.751 -2.678 5.485 132 H ARG 20 H ARG 20 9.315 -1.485 3.044 133 HA ARG 20 HA ARG 20 8.432 -4.104 1.906 134 1HB ARG 20 2HB ARG 20 6.694 -1.695 1.648 135 2HB ARG 20 1HB ARG 20 6.247 -3.378 1.916 136 1HG ARG 20 2HG ARG 20 7.588 -1.683 4.039 137 2HG ARG 20 1HG ARG 20 5.839 -1.801 3.877 138 1HD ARG 20 2HD ARG 20 7.269 -4.394 3.900 139 2HD ARG 20 1HD ARG 20 7.340 -3.489 5.411 140 HE ARG 20 HE ARG 20 5.080 -4.941 4.539 141 1HH1 ARG 20 2HH1 ARG 20 6.015 -2.189 6.353 142 2HH1 ARG 20 1HH1 ARG 20 4.396 -1.691 6.705 143 1HH2 ARG 20 1HH2 ARG 20 2.922 -4.116 4.702 144 2HH2 ARG 20 2HH2 ARG 20 2.641 -2.782 5.770 145 H CYS 21 H CYS 21 8.130 -4.258 -0.354 146 HA CYS 21 HA CYS 21 9.537 -2.158 -1.927 147 1HB CYS 21 2HB CYS 21 9.510 -5.012 -2.026 148 2HB CYS 21 1HB CYS 21 8.816 -4.418 -3.534 149 H GLY 22 H GLY 22 6.643 -4.251 -2.255 150 1HA GLY 22 2HA GLY 22 5.285 -1.975 -3.636 151 2HA GLY 22 1HA GLY 22 5.113 -3.633 -4.209 152 H GLY 23 H GLY 23 2.744 -2.633 -3.694 153 1HA GLY 23 2HA GLY 23 1.834 -4.103 -1.351 154 2HA GLY 23 1HA GLY 23 1.697 -2.362 -1.145 155 H TYR 24 H TYR 24 -0.556 -3.899 -1.067 156 HA TYR 24 HA TYR 24 -2.007 -2.984 -3.493 157 1HB TYR 24 2HB TYR 24 -3.208 -5.120 -3.667 158 2HB TYR 24 1HB TYR 24 -1.474 -5.389 -3.835 159 HD1 TYR 24 HD1 TYR 24 -4.440 -6.018 -1.814 160 HD2 TYR 24 HD2 TYR 24 -0.152 -6.287 -1.900 161 HE1 TYR 24 HE1 TYR 24 -4.499 -7.584 0.107 162 HE2 TYR 24 HE2 TYR 24 -0.212 -7.851 0.020 163 HH TYR 24 HH TYR 24 -2.420 -8.172 2.063 164 H CYS 25 H CYS 25 -4.333 -2.752 -3.101 165 HA CYS 25 HA CYS 25 -4.885 -1.930 -0.336 166 1HB CYS 25 2HB CYS 25 -6.638 -1.867 -2.811 167 2HB CYS 25 1HB CYS 25 -7.028 -1.117 -1.263 168 H GLY 26 H GLY 26 -5.444 -3.503 1.086 169 1HA GLY 26 2HA GLY 26 -7.785 -5.153 0.647 170 2HA GLY 26 1HA GLY 26 -6.305 -6.106 0.545 171 H GLY 27 H GLY 27 -8.587 -5.836 2.622 172 1HA GLY 27 2HA GLY 27 -7.857 -6.748 4.918 173 2HA GLY 27 1HA GLY 27 -6.878 -5.285 5.014 174 H TRP 28 H TRP 28 -8.057 -3.203 4.922 175 HA TRP 28 HA TRP 28 -10.617 -3.401 6.402 176 1HB TRP 28 2HB TRP 28 -8.732 -1.950 7.245 177 2HB TRP 28 1HB TRP 28 -8.952 -0.933 5.822 178 HD1 TRP 28 HD1 TRP 28 -10.839 -2.110 8.962 179 HE1 TRP 28 HE1 TRP 28 -12.654 -0.373 9.521 180 HE3 TRP 28 HE3 TRP 28 -10.394 0.972 4.913 181 HZ2 TRP 28 HZ2 TRP 28 -13.771 2.010 8.406 182 HZ3 TRP 28 HZ3 TRP 28 -11.845 2.967 4.690 183 HH2 TRP 28 HH2 TRP 28 -13.533 3.489 6.427 184 H HIS 29 H HIS 29 -12.059 -3.901 4.702 185 HA HIS 29 HA HIS 29 -13.506 -3.458 2.919 186 1HB HIS 29 2HB HIS 29 -12.806 -0.566 3.514 187 2HB HIS 29 1HB HIS 29 -14.255 -1.152 2.704 188 HD1 HIS 29 HD1 HIS 29 -14.093 0.440 5.518 189 HD2 HIS 29 HD2 HIS 29 -14.753 -3.642 5.006 190 HE1 HIS 29 HE1 HIS 29 -15.226 -0.372 7.633 191 H ARG 30 H ARG 30 -10.646 -3.862 2.338 192 HA ARG 30 HA ARG 30 -9.166 -3.720 0.534 193 1HB ARG 30 2HB ARG 30 -11.384 -4.330 -0.621 194 2HB ARG 30 1HB ARG 30 -11.490 -2.626 -1.058 195 1HG ARG 30 2HG ARG 30 -9.705 -2.741 -2.517 196 2HG ARG 30 1HG ARG 30 -8.912 -4.025 -1.606 197 1HD ARG 30 2HD ARG 30 -9.661 -5.135 -3.538 198 2HD ARG 30 1HD ARG 30 -10.921 -5.496 -2.358 199 HE ARG 30 HE ARG 30 -11.171 -3.454 -4.527 200 1HH1 ARG 30 1HH2 ARG 30 -12.674 -6.075 -4.600 201 2HH1 ARG 30 2HH2 ARG 30 -14.224 -5.609 -3.984 202 1HH2 ARG 30 2HH1 ARG 30 -13.084 -2.606 -2.652 203 2HH2 ARG 30 1HH1 ARG 30 -14.457 -3.636 -2.878 204 H LEU 31 H LEU 31 -9.555 -1.373 2.321 205 HA LEU 31 HA LEU 31 -8.752 0.798 0.433 206 1HB LEU 31 2HB LEU 31 -10.215 0.899 3.072 207 2HB LEU 31 1HB LEU 31 -9.451 2.325 2.374 208 HG LEU 31 HG LEU 31 -11.549 0.616 1.002 209 1HD1 LEU 31 1HD1 LEU 31 -12.362 2.015 2.929 210 2HD1 LEU 31 2HD1 LEU 31 -13.056 2.474 1.374 211 3HD1 LEU 31 3HD1 LEU 31 -11.761 3.441 2.082 212 1HD2 LEU 31 1HD2 LEU 31 -11.396 3.035 -0.313 213 2HD2 LEU 31 2HD2 LEU 31 -10.611 1.550 -0.851 214 3HD2 LEU 31 3HD2 LEU 31 -9.707 2.733 0.093 215 H ARG 32 H ARG 32 -7.638 -1.256 2.938 216 HA ARG 32 HA ARG 32 -5.594 0.627 3.914 217 1HB ARG 32 2HB ARG 32 -6.718 -1.131 5.382 218 2HB ARG 32 1HB ARG 32 -5.793 -2.341 4.491 219 1HG ARG 32 2HG ARG 32 -3.935 -1.891 5.683 220 2HG ARG 32 1HG ARG 32 -4.067 -0.168 5.329 221 1HD ARG 32 2HD ARG 32 -6.036 -0.342 7.135 222 2HD ARG 32 1HD ARG 32 -5.061 -1.704 7.689 223 HE ARG 32 HE ARG 32 -4.202 1.140 7.669 224 1HH1 ARG 32 2HH1 ARG 32 -4.216 -0.324 10.217 225 2HH1 ARG 32 1HH1 ARG 32 -2.577 -0.857 10.381 226 1HH2 ARG 32 1HH2 ARG 32 -1.805 -0.355 7.028 227 2HH2 ARG 32 2HH2 ARG 32 -1.204 -0.872 8.568 228 H CYS 33 H CYS 33 -3.442 0.587 3.280 229 HA CYS 33 HA CYS 33 -2.832 -0.961 0.842 230 1HB CYS 33 2HB CYS 33 -1.613 1.384 2.248 231 2HB CYS 33 1HB CYS 33 -0.584 0.415 1.192 232 H THR 34 H THR 34 -2.252 -3.046 1.280 233 HA THR 34 HA THR 34 -0.522 -3.630 3.614 234 HB THR 34 HB THR 34 -1.866 -5.465 1.602 235 HG1 THR 34 HG1 THR 34 -3.492 -5.131 2.871 236 1HG2 THR 34 1HG2 THR 34 -1.288 -7.060 3.684 237 2HG2 THR 34 2HG2 THR 34 0.055 -5.926 3.834 238 3HG2 THR 34 3HG2 THR 34 -0.170 -6.833 2.338 239 H CYS 35 H CYS 35 1.616 -3.329 3.247 240 HA CYS 35 HA CYS 35 2.729 -3.801 0.538 241 1HB CYS 35 2HB CYS 35 4.354 -2.790 2.849 242 2HB CYS 35 1HB CYS 35 4.522 -2.432 1.132 243 H TYR 36 H TYR 36 4.490 -5.237 0.193 244 HA TYR 36 HA TYR 36 4.863 -7.265 2.361 245 1HB TYR 36 2HB TYR 36 5.616 -8.707 0.280 246 2HB TYR 36 1HB TYR 36 3.906 -8.519 0.656 247 HD1 TYR 36 HD1 TYR 36 6.664 -7.328 -1.533 248 HD2 TYR 36 HD2 TYR 36 2.429 -7.307 -0.799 249 HE1 TYR 36 HE1 TYR 36 6.280 -6.317 -3.764 250 HE2 TYR 36 HE2 TYR 36 2.048 -6.294 -3.029 251 HH TYR 36 HH TYR 36 3.298 -4.958 -4.683 252 H ARG 37 H ARG 37 7.003 -8.261 2.496 253 HA ARG 37 HA ARG 37 9.152 -6.375 2.481 254 1HB ARG 37 2HB ARG 37 9.040 -9.383 2.741 255 2HB ARG 37 1HB ARG 37 10.577 -8.518 2.745 256 1HG ARG 37 2HG ARG 37 9.731 -7.103 4.625 257 2HG ARG 37 1HG ARG 37 8.268 -8.088 4.664 258 1HD ARG 37 2HD ARG 37 11.082 -9.163 5.037 259 2HD ARG 37 1HD ARG 37 9.952 -8.827 6.348 260 HE ARG 37 HE ARG 37 9.726 -11.044 4.393 261 1HH1 ARG 37 1HH2 ARG 37 7.019 -9.873 4.943 262 2HH1 ARG 37 2HH2 ARG 37 6.502 -10.786 6.323 263 1HH2 ARG 37 2HH1 ARG 37 9.690 -11.946 7.080 264 2HH2 ARG 37 1HH1 ARG 37 8.021 -11.962 7.538 265 H CYS 38 H CYS 38 11.096 -6.403 1.184 266 HA CYS 38 HA CYS 38 10.546 -7.064 -1.653 267 1HB CYS 38 2HB CYS 38 11.538 -4.810 -0.707 268 2HB CYS 38 1HB CYS 38 13.057 -5.706 -0.724 269 H GLY 39 HN GLY 39 11.423 -8.833 -2.593 270 1HA GLY 39 2HA GLY 39 13.381 -10.447 -1.071 271 2HA GLY 39 1HA GLY 39 12.499 -10.974 -2.504 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -7.607 3.580 2.377 2 2H GLY 1 2H GLY 1 -8.345 4.817 1.473 3 3H GLY 1 3H GLY 1 -8.698 4.643 3.127 4 1HA GLY 1 2HA GLY 1 -7.143 6.504 2.581 5 2HA GLY 1 1HA GLY 1 -6.550 5.349 3.772 6 H PHE 2 H PHE 2 -4.661 6.794 2.515 7 HA PHE 2 HA PHE 2 -2.703 6.662 1.240 8 1HB PHE 2 2HB PHE 2 -3.348 3.710 1.486 9 2HB PHE 2 1HB PHE 2 -1.818 4.342 0.882 10 HD1 PHE 2 HD1 PHE 2 -3.503 3.216 3.757 11 HD2 PHE 2 HD2 PHE 2 -0.709 6.208 2.454 12 HE1 PHE 2 HE1 PHE 2 -2.693 3.475 6.086 13 HE2 PHE 2 HE2 PHE 2 0.099 6.467 4.784 14 HZ PHE 2 HZ PHE 2 -0.892 5.101 6.599 15 H GLY 3 H GLY 3 -5.298 6.927 -0.191 16 1HA GLY 3 2HA GLY 3 -5.911 7.140 -2.439 17 2HA GLY 3 1HA GLY 3 -4.313 6.547 -2.880 18 H CYS 4 H CYS 4 -6.850 4.939 -0.944 19 HA CYS 4 HA CYS 4 -6.677 2.620 -2.801 20 1HB CYS 4 2HB CYS 4 -7.565 2.965 0.052 21 2HB CYS 4 1HB CYS 4 -8.137 1.582 -0.880 22 HA PRO 5 HA PRO 5 -8.085 0.742 -2.575 23 1HB PRO 5 2HB PRO 5 -9.451 -0.579 -4.555 24 2HB PRO 5 1HB PRO 5 -10.066 -0.376 -2.907 25 1HG PRO 5 2HG PRO 5 -10.919 0.999 -5.407 26 2HG PRO 5 1HG PRO 5 -11.835 0.701 -3.921 27 1HD PRO 5 2HD PRO 5 -10.610 3.151 -4.679 28 2HD PRO 5 1HD PRO 5 -11.301 2.764 -3.089 29 H ASN 6 H ASN 6 -7.623 3.103 -4.775 30 HA ASN 6 HA ASN 6 -6.687 1.840 -7.144 31 1HB ASN 6 2HB ASN 6 -7.028 4.375 -6.587 32 2HB ASN 6 1HB ASN 6 -5.354 4.298 -6.035 33 1HD2 ASN 6 1HD2 ASN 6 -7.290 4.738 -8.806 34 2HD2 ASN 6 2HD2 ASN 6 -6.089 4.485 -9.979 35 H ASN 7 H ASN 7 -4.915 0.622 -7.531 36 HA ASN 7 HA ASN 7 -3.061 0.001 -5.368 37 1HB ASN 7 2HB ASN 7 -3.269 -0.882 -8.249 38 2HB ASN 7 1HB ASN 7 -1.956 -1.406 -7.194 39 1HD2 ASN 7 1HD2 ASN 7 -2.387 -3.280 -6.012 40 2HD2 ASN 7 2HD2 ASN 7 -3.938 -3.874 -5.664 41 H TYR 8 H TYR 8 -3.076 2.220 -8.062 42 HA TYR 8 HA TYR 8 -0.232 2.542 -8.333 43 1HB TYR 8 2HB TYR 8 -2.003 3.386 -9.955 44 2HB TYR 8 1HB TYR 8 -2.332 4.678 -8.802 45 HD1 TYR 8 HD1 TYR 8 0.251 3.202 -11.021 46 HD2 TYR 8 HD2 TYR 8 -0.825 6.529 -8.524 47 HE1 TYR 8 HE1 TYR 8 2.169 4.493 -11.914 48 HE2 TYR 8 HE2 TYR 8 1.094 7.819 -9.418 49 HH TYR 8 HH TYR 8 3.550 6.880 -10.600 50 H GLN 9 H GLN 9 -2.668 4.474 -6.541 51 HA GLN 9 HA GLN 9 -0.748 6.143 -5.205 52 1HB GLN 9 2HB GLN 9 -3.547 5.349 -4.336 53 2HB GLN 9 1HB GLN 9 -2.609 6.684 -3.667 54 1HG GLN 9 2HG GLN 9 -2.584 7.811 -5.823 55 2HG GLN 9 1HG GLN 9 -3.394 6.443 -6.586 56 1HE2 GLN 9 1HE2 GLN 9 -3.884 9.225 -4.448 57 2HE2 GLN 9 2HE2 GLN 9 -5.579 9.125 -4.418 58 H CYS 10 H CYS 10 -2.428 3.150 -4.240 59 HA CYS 10 HA CYS 10 -1.301 2.894 -1.636 60 1HB CYS 10 2HB CYS 10 -3.185 1.510 -2.739 61 2HB CYS 10 1HB CYS 10 -1.888 0.543 -3.437 62 H HIS 11 H HIS 11 -0.150 1.787 -4.816 63 HA HIS 11 HA HIS 11 2.148 0.358 -3.915 64 1HB HIS 11 2HB HIS 11 1.314 0.154 -6.210 65 2HB HIS 11 1HB HIS 11 1.670 1.853 -6.514 66 HD1 HIS 11 HD1 HIS 11 3.926 -0.648 -4.747 67 HD2 HIS 11 HD2 HIS 11 3.826 1.597 -8.257 68 HE1 HIS 11 HE1 HIS 11 6.179 -0.961 -5.859 69 H ARG 12 H ARG 12 1.705 3.787 -4.796 70 HA ARG 12 HA ARG 12 4.430 4.593 -4.543 71 1HB ARG 12 2HB ARG 12 2.231 5.883 -5.345 72 2HB ARG 12 1HB ARG 12 2.259 6.462 -3.680 73 1HG ARG 12 2HG ARG 12 4.766 6.978 -4.129 74 2HG ARG 12 1HG ARG 12 4.337 6.830 -5.834 75 1HD ARG 12 2HD ARG 12 3.305 8.839 -5.845 76 2HD ARG 12 1HD ARG 12 2.422 8.474 -4.362 77 HE ARG 12 HE ARG 12 4.664 9.081 -3.195 78 1HH1 ARG 12 2HH1 ARG 12 3.111 11.500 -3.696 79 2HH1 ARG 12 1HH1 ARG 12 4.175 12.482 -4.645 80 1HH2 ARG 12 1HH2 ARG 12 6.260 9.841 -5.515 81 2HH2 ARG 12 2HH2 ARG 12 5.966 11.538 -5.679 82 H HIS 13 H HIS 13 1.834 4.283 -2.134 83 HA HIS 13 HA HIS 13 3.260 5.436 0.072 84 1HB HIS 13 2HB HIS 13 0.870 5.139 0.248 85 2HB HIS 13 1HB HIS 13 1.009 3.407 -0.046 86 HD1 HIS 13 HD1 HIS 13 2.564 5.850 2.463 87 HD2 HIS 13 HD2 HIS 13 0.861 2.048 2.334 88 HE1 HIS 13 HE1 HIS 13 2.620 4.959 4.834 89 H CYS 14 H CYS 14 2.990 2.081 -1.123 90 HA CYS 14 HA CYS 14 4.533 0.850 0.950 91 1HB CYS 14 2HB CYS 14 4.283 0.020 -1.958 92 2HB CYS 14 1HB CYS 14 4.819 -1.010 -0.633 93 H LYS 15 H LYS 15 5.441 2.521 -2.026 94 HA LYS 15 HA LYS 15 8.208 1.764 -2.066 95 1HB LYS 15 2HB LYS 15 6.656 4.076 -3.230 96 2HB LYS 15 1HB LYS 15 8.409 3.980 -3.398 97 1HG LYS 15 2HG LYS 15 7.596 1.427 -4.085 98 2HG LYS 15 1HG LYS 15 6.316 2.435 -4.760 99 1HD LYS 15 2HD LYS 15 8.219 3.901 -5.707 100 2HD LYS 15 1HD LYS 15 9.279 2.539 -5.337 101 1HE LYS 15 2HE LYS 15 7.559 1.105 -6.638 102 2HE LYS 15 1HE LYS 15 6.959 2.640 -7.264 103 1HZ LYS 15 1HZ LYS 15 8.628 1.671 -8.720 104 2HZ LYS 15 2HZ LYS 15 9.762 1.673 -7.456 105 3HZ LYS 15 3HZ LYS 15 9.174 3.141 -8.077 106 H SER 16 H SER 16 6.512 4.579 -0.629 107 HA SER 16 HA SER 16 8.896 5.839 0.364 108 1HB SER 16 2HB SER 16 7.275 7.005 1.953 109 2HB SER 16 1HB SER 16 6.943 7.201 0.237 110 HG SER 16 HG SER 16 5.682 5.471 2.099 111 H ILE 17 H ILE 17 6.946 3.182 1.573 112 HA ILE 17 HA ILE 17 7.938 3.282 4.298 113 HB ILE 17 HB ILE 17 6.764 0.951 2.743 114 1HG1 ILE 17 2HG1 ILE 17 5.375 2.687 4.792 115 2HG1 ILE 17 1HG1 ILE 17 5.358 3.093 3.076 116 1HG2 ILE 17 1HG2 ILE 17 6.367 -0.052 4.928 117 2HG2 ILE 17 2HG2 ILE 17 7.031 1.367 5.737 118 3HG2 ILE 17 3HG2 ILE 17 8.083 0.324 4.779 119 1HD1 ILE 17 1HD1 ILE 17 4.712 0.402 3.073 120 2HD1 ILE 17 2HD1 ILE 17 3.557 1.727 2.937 121 3HD1 ILE 17 3HD1 ILE 17 3.886 1.002 4.511 122 HA PRO 18 HA PRO 18 11.938 1.606 3.356 123 1HB PRO 18 2HB PRO 18 12.768 1.392 5.970 124 2HB PRO 18 1HB PRO 18 12.747 2.915 5.066 125 1HG PRO 18 2HG PRO 18 10.888 1.974 7.201 126 2HG PRO 18 1HG PRO 18 11.321 3.629 6.739 127 1HD PRO 18 2HD PRO 18 8.933 2.294 6.037 128 2HD PRO 18 1HD PRO 18 9.543 3.792 5.302 129 H GLY 19 H GLY 19 12.427 -0.505 2.917 130 1HA GLY 19 2HA GLY 19 12.831 -2.804 3.543 131 2HA GLY 19 1HA GLY 19 11.674 -2.624 4.859 132 H ARG 20 H ARG 20 10.127 -1.181 2.353 133 HA ARG 20 HA ARG 20 8.749 -3.720 1.611 134 1HB ARG 20 2HB ARG 20 7.848 -0.911 2.011 135 2HB ARG 20 1HB ARG 20 7.029 -1.845 0.764 136 1HG ARG 20 2HG ARG 20 5.828 -2.149 2.847 137 2HG ARG 20 1HG ARG 20 6.649 -3.660 2.455 138 1HD ARG 20 2HD ARG 20 8.352 -3.278 4.068 139 2HD ARG 20 1HD ARG 20 7.910 -1.580 4.245 140 HE ARG 20 HE ARG 20 6.025 -2.247 5.589 141 1HH1 ARG 20 1HH2 ARG 20 8.210 -4.040 6.688 142 2HH1 ARG 20 2HH2 ARG 20 7.409 -5.572 6.734 143 1HH2 ARG 20 2HH1 ARG 20 4.837 -4.591 4.609 144 2HH2 ARG 20 1HH1 ARG 20 5.493 -5.887 5.554 145 H CYS 21 H CYS 21 7.807 -3.717 -0.622 146 HA CYS 21 HA CYS 21 9.554 -2.299 -2.590 147 1HB CYS 21 2HB CYS 21 9.394 -5.115 -2.122 148 2HB CYS 21 1HB CYS 21 8.654 -4.787 -3.688 149 H GLY 22 H GLY 22 6.557 -4.234 -2.295 150 1HA GLY 22 2HA GLY 22 5.122 -2.140 -3.828 151 2HA GLY 22 1HA GLY 22 5.039 -3.800 -4.415 152 H GLY 23 H GLY 23 2.638 -2.824 -3.822 153 1HA GLY 23 2HA GLY 23 1.752 -4.464 -1.598 154 2HA GLY 23 1HA GLY 23 1.650 -2.748 -1.218 155 H TYR 24 H TYR 24 -0.706 -3.337 -1.083 156 HA TYR 24 HA TYR 24 -2.081 -2.498 -3.507 157 1HB TYR 24 2HB TYR 24 -3.431 -4.541 -3.805 158 2HB TYR 24 1HB TYR 24 -1.720 -4.888 -4.043 159 HD1 TYR 24 HD1 TYR 24 -4.662 -5.495 -1.979 160 HD2 TYR 24 HD2 TYR 24 -0.406 -6.025 -2.237 161 HE1 TYR 24 HE1 TYR 24 -4.768 -7.202 -0.187 162 HE2 TYR 24 HE2 TYR 24 -0.512 -7.733 -0.444 163 HH TYR 24 HH TYR 24 -2.332 -8.153 1.593 164 H CYS 25 H CYS 25 -4.566 -2.654 -3.088 165 HA CYS 25 HA CYS 25 -5.034 -1.767 -0.294 166 1HB CYS 25 2HB CYS 25 -6.764 -1.572 -2.779 167 2HB CYS 25 1HB CYS 25 -7.228 -0.970 -1.189 168 H GLY 26 H GLY 26 -5.973 -3.144 1.138 169 1HA GLY 26 2HA GLY 26 -8.133 -4.923 0.497 170 2HA GLY 26 1HA GLY 26 -6.626 -5.832 0.556 171 H GLY 27 H GLY 27 -9.114 -5.580 2.394 172 1HA GLY 27 2HA GLY 27 -8.558 -6.457 4.766 173 2HA GLY 27 1HA GLY 27 -7.674 -4.941 4.934 174 H TRP 28 H TRP 28 -8.843 -2.997 5.160 175 HA TRP 28 HA TRP 28 -11.608 -3.339 6.124 176 1HB TRP 28 2HB TRP 28 -9.922 -1.959 7.372 177 2HB TRP 28 1HB TRP 28 -9.906 -0.829 6.019 178 HD1 TRP 28 HD1 TRP 28 -12.322 -2.264 8.658 179 HE1 TRP 28 HE1 TRP 28 -14.189 -0.537 9.067 180 HE3 TRP 28 HE3 TRP 28 -11.126 1.195 5.096 181 HZ2 TRP 28 HZ2 TRP 28 -15.061 1.979 8.027 182 HZ3 TRP 28 HZ3 TRP 28 -12.488 3.247 4.831 183 HH2 TRP 28 HH2 TRP 28 -14.454 3.642 6.288 184 H HIS 29 H HIS 29 -12.865 -3.637 4.271 185 HA HIS 29 HA HIS 29 -14.061 -3.053 2.349 186 1HB HIS 29 2HB HIS 29 -13.351 -0.234 3.221 187 2HB HIS 29 1HB HIS 29 -14.677 -0.691 2.158 188 HD1 HIS 29 HD1 HIS 29 -14.941 0.713 5.038 189 HD2 HIS 29 HD2 HIS 29 -15.578 -3.316 4.196 190 HE1 HIS 29 HE1 HIS 29 -16.408 -0.183 6.898 191 H ARG 30 H ARG 30 -11.161 -3.528 2.121 192 HA ARG 30 HA ARG 30 -9.441 -3.336 0.555 193 1HB ARG 30 2HB ARG 30 -11.370 -3.953 -0.951 194 2HB ARG 30 1HB ARG 30 -11.605 -2.231 -1.260 195 1HG ARG 30 2HG ARG 30 -9.702 -2.058 -2.530 196 2HG ARG 30 1HG ARG 30 -8.836 -3.266 -1.584 197 1HD ARG 30 2HD ARG 30 -10.866 -4.745 -2.739 198 2HD ARG 30 1HD ARG 30 -10.442 -3.599 -4.013 199 HE ARG 30 HE ARG 30 -8.157 -4.945 -2.728 200 1HH1 ARG 30 2HH1 ARG 30 -8.226 -3.753 -5.520 201 2HH1 ARG 30 1HH1 ARG 30 -8.273 -5.178 -6.503 202 1HH2 ARG 30 1HH2 ARG 30 -9.180 -7.272 -3.876 203 2HH2 ARG 30 2HH2 ARG 30 -8.813 -7.181 -5.566 204 H LEU 31 H LEU 31 -10.050 -1.055 2.344 205 HA LEU 31 HA LEU 31 -9.081 1.215 0.668 206 1HB LEU 31 2HB LEU 31 -10.564 1.140 3.304 207 2HB LEU 31 1HB LEU 31 -9.815 2.606 2.676 208 HG LEU 31 HG LEU 31 -11.701 0.993 0.965 209 1HD1 LEU 31 1HD1 LEU 31 -13.557 2.351 1.744 210 2HD1 LEU 31 2HD1 LEU 31 -12.494 3.249 2.827 211 3HD1 LEU 31 3HD1 LEU 31 -12.830 1.546 3.133 212 1HD2 LEU 31 1HD2 LEU 31 -10.982 3.941 1.063 213 2HD2 LEU 31 2HD2 LEU 31 -12.005 3.162 -0.143 214 3HD2 LEU 31 3HD2 LEU 31 -10.288 2.769 -0.057 215 H ARG 32 H ARG 32 -8.182 -1.003 3.161 216 HA ARG 32 HA ARG 32 -6.071 0.669 4.312 217 1HB ARG 32 2HB ARG 32 -7.264 -1.159 5.585 218 2HB ARG 32 1HB ARG 32 -6.452 -2.333 4.550 219 1HG ARG 32 2HG ARG 32 -4.254 -1.430 5.281 220 2HG ARG 32 1HG ARG 32 -5.091 -0.314 6.361 221 1HD ARG 32 2HD ARG 32 -4.574 -2.107 7.784 222 2HD ARG 32 1HD ARG 32 -6.233 -2.464 7.307 223 HE ARG 32 HE ARG 32 -5.023 -3.920 5.465 224 1HH1 ARG 32 1HH2 ARG 32 -5.616 -5.391 7.943 225 2HH1 ARG 32 2HH2 ARG 32 -4.064 -5.980 8.435 226 1HH2 ARG 32 2HH1 ARG 32 -2.296 -3.775 6.409 227 2HH2 ARG 32 1HH1 ARG 32 -2.175 -5.061 7.563 228 H CYS 33 H CYS 33 -3.889 0.602 3.755 229 HA CYS 33 HA CYS 33 -3.248 -0.742 1.197 230 1HB CYS 33 2HB CYS 33 -2.166 1.556 2.722 231 2HB CYS 33 1HB CYS 33 -0.972 0.589 1.855 232 H THR 34 H THR 34 -2.244 -2.667 1.183 233 HA THR 34 HA THR 34 -0.729 -3.504 3.617 234 HB THR 34 HB THR 34 -2.173 -5.120 1.498 235 HG1 THR 34 HG1 THR 34 -2.477 -5.113 4.313 236 1HG2 THR 34 1HG2 THR 34 -0.370 -6.519 1.884 237 2HG2 THR 34 2HG2 THR 34 -1.423 -7.008 3.212 238 3HG2 THR 34 3HG2 THR 34 -0.093 -5.889 3.507 239 H CYS 35 H CYS 35 1.410 -3.155 3.271 240 HA CYS 35 HA CYS 35 2.535 -3.684 0.553 241 1HB CYS 35 2HB CYS 35 3.866 -2.177 2.818 242 2HB CYS 35 1HB CYS 35 4.340 -2.202 1.120 243 H TYR 36 H TYR 36 4.266 -5.158 0.352 244 HA TYR 36 HA TYR 36 4.844 -6.753 2.816 245 1HB TYR 36 2HB TYR 36 5.539 -8.540 1.051 246 2HB TYR 36 1HB TYR 36 3.826 -8.264 1.346 247 HD1 TYR 36 HD1 TYR 36 6.648 -7.478 -0.949 248 HD2 TYR 36 HD2 TYR 36 2.393 -7.401 -0.360 249 HE1 TYR 36 HE1 TYR 36 6.325 -6.918 -3.342 250 HE2 TYR 36 HE2 TYR 36 2.071 -6.837 -2.752 251 HH TYR 36 HH TYR 36 4.171 -5.594 -4.643 252 H ARG 37 H ARG 37 7.023 -7.700 2.966 253 HA ARG 37 HA ARG 37 9.084 -5.738 2.480 254 1HB ARG 37 2HB ARG 37 9.036 -8.538 3.569 255 2HB ARG 37 1HB ARG 37 10.576 -7.762 3.207 256 1HG ARG 37 2HG ARG 37 10.243 -6.066 4.798 257 2HG ARG 37 1HG ARG 37 8.500 -6.323 4.845 258 1HD ARG 37 2HD ARG 37 9.446 -7.241 6.880 259 2HD ARG 37 1HD ARG 37 8.928 -8.583 5.862 260 HE ARG 37 HE ARG 37 11.309 -8.932 5.260 261 1HH1 ARG 37 1HH2 ARG 37 12.447 -6.290 5.982 262 2HH1 ARG 37 2HH2 ARG 37 13.189 -6.596 7.517 263 1HH2 ARG 37 2HH1 ARG 37 11.463 -9.567 8.051 264 2HH2 ARG 37 1HH1 ARG 37 12.635 -8.463 8.690 265 H CYS 38 H CYS 38 10.839 -5.845 1.044 266 HA CYS 38 HA CYS 38 10.302 -7.171 -1.503 267 1HB CYS 38 2HB CYS 38 11.506 -4.858 -0.971 268 2HB CYS 38 1HB CYS 38 12.938 -5.884 -0.903 269 H GLY 39 HN GLY 39 11.234 -9.043 -2.253 270 1HA GLY 39 2HA GLY 39 12.920 -10.579 -0.367 271 2HA GLY 39 1HA GLY 39 12.133 -11.224 -1.808 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -7.529 3.448 2.162 2 2H GLY 1 2H GLY 1 -8.356 4.728 1.409 3 3H GLY 1 3H GLY 1 -8.608 4.406 3.057 4 1HA GLY 1 2HA GLY 1 -7.104 6.360 2.457 5 2HA GLY 1 1HA GLY 1 -6.537 5.226 3.682 6 H PHE 2 H PHE 2 -4.632 6.673 2.413 7 HA PHE 2 HA PHE 2 -2.632 6.494 1.203 8 1HB PHE 2 2HB PHE 2 -3.179 3.518 1.136 9 2HB PHE 2 1HB PHE 2 -1.615 4.330 1.096 10 HD1 PHE 2 HD1 PHE 2 -3.834 2.591 3.158 11 HD2 PHE 2 HD2 PHE 2 -1.261 6.030 3.181 12 HE1 PHE 2 HE1 PHE 2 -3.734 2.500 5.635 13 HE2 PHE 2 HE2 PHE 2 -1.161 5.940 5.657 14 HZ PHE 2 HZ PHE 2 -2.397 4.174 6.883 15 H GLY 3 H GLY 3 -5.228 6.755 -0.257 16 1HA GLY 3 2HA GLY 3 -5.791 6.990 -2.517 17 2HA GLY 3 1HA GLY 3 -4.207 6.348 -2.938 18 H CYS 4 H CYS 4 -6.758 4.801 -0.977 19 HA CYS 4 HA CYS 4 -6.681 2.495 -2.860 20 1HB CYS 4 2HB CYS 4 -7.431 2.805 0.035 21 2HB CYS 4 1HB CYS 4 -8.076 1.451 -0.890 22 HA PRO 5 HA PRO 5 -8.095 0.625 -2.619 23 1HB PRO 5 2HB PRO 5 -9.515 -0.625 -4.607 24 2HB PRO 5 1HB PRO 5 -10.086 -0.476 -2.937 25 1HG PRO 5 2HG PRO 5 -10.995 0.991 -5.365 26 2HG PRO 5 1HG PRO 5 -11.878 0.636 -3.872 27 1HD PRO 5 2HD PRO 5 -10.679 3.115 -4.556 28 2HD PRO 5 1HD PRO 5 -11.310 2.658 -2.960 29 H ASN 6 H ASN 6 -7.754 3.045 -4.821 30 HA ASN 6 HA ASN 6 -6.826 1.838 -7.216 31 1HB ASN 6 2HB ASN 6 -7.185 4.363 -6.592 32 2HB ASN 6 1HB ASN 6 -5.497 4.290 -6.085 33 1HD2 ASN 6 1HD2 ASN 6 -7.601 4.479 -8.848 34 2HD2 ASN 6 2HD2 ASN 6 -6.390 4.394 -10.034 35 H ASN 7 H ASN 7 -4.826 1.003 -7.825 36 HA ASN 7 HA ASN 7 -3.023 0.259 -5.606 37 1HB ASN 7 2HB ASN 7 -3.488 -0.723 -8.386 38 2HB ASN 7 1HB ASN 7 -1.897 -0.985 -7.672 39 1HD2 ASN 7 1HD2 ASN 7 -5.238 -2.011 -7.591 40 2HD2 ASN 7 2HD2 ASN 7 -5.058 -3.166 -6.360 41 H TYR 8 H TYR 8 -3.127 2.541 -8.227 42 HA TYR 8 HA TYR 8 -0.298 2.886 -8.599 43 1HB TYR 8 2HB TYR 8 -2.223 3.782 -10.065 44 2HB TYR 8 1HB TYR 8 -2.366 5.077 -8.882 45 HD1 TYR 8 HD1 TYR 8 -1.875 6.315 -11.198 46 HD2 TYR 8 HD2 TYR 8 1.023 4.058 -8.963 47 HE1 TYR 8 HE1 TYR 8 -0.042 7.544 -12.326 48 HE2 TYR 8 HE2 TYR 8 2.850 5.289 -10.094 49 HH TYR 8 HH TYR 8 2.731 7.968 -11.396 50 H GLN 9 H GLN 9 -2.645 4.838 -6.709 51 HA GLN 9 HA GLN 9 -0.640 6.391 -5.360 52 1HB GLN 9 2HB GLN 9 -3.465 5.723 -4.469 53 2HB GLN 9 1HB GLN 9 -2.461 7.016 -3.816 54 1HG GLN 9 2HG GLN 9 -2.991 6.901 -6.774 55 2HG GLN 9 1HG GLN 9 -4.212 7.572 -5.694 56 1HE2 GLN 9 1HE2 GLN 9 -1.029 8.130 -7.097 57 2HE2 GLN 9 2HE2 GLN 9 -0.821 9.691 -6.463 58 H CYS 10 H CYS 10 -2.327 3.367 -4.541 59 HA CYS 10 HA CYS 10 -1.288 3.041 -1.899 60 1HB CYS 10 2HB CYS 10 -3.135 1.677 -3.014 61 2HB CYS 10 1HB CYS 10 -1.859 0.796 -3.852 62 H HIS 11 H HIS 11 -0.073 2.009 -5.080 63 HA HIS 11 HA HIS 11 2.225 0.575 -4.232 64 1HB HIS 11 2HB HIS 11 1.254 0.783 -6.596 65 2HB HIS 11 1HB HIS 11 2.093 2.327 -6.701 66 HD1 HIS 11 HD1 HIS 11 3.165 -1.123 -5.440 67 HD2 HIS 11 HD2 HIS 11 4.454 1.877 -8.028 68 HE1 HIS 11 HE1 HIS 11 5.381 -1.900 -6.393 69 H ARG 12 H ARG 12 1.830 4.058 -4.953 70 HA ARG 12 HA ARG 12 4.551 4.790 -4.454 71 1HB ARG 12 2HB ARG 12 2.492 6.150 -5.461 72 2HB ARG 12 1HB ARG 12 2.346 6.699 -3.790 73 1HG ARG 12 2HG ARG 12 4.672 7.450 -3.797 74 2HG ARG 12 1HG ARG 12 4.891 6.827 -5.433 75 1HD ARG 12 2HD ARG 12 2.900 8.374 -6.057 76 2HD ARG 12 1HD ARG 12 3.236 9.176 -4.523 77 HE ARG 12 HE ARG 12 4.696 9.646 -6.881 78 1HH1 ARG 12 1HH2 ARG 12 5.024 10.919 -4.072 79 2HH1 ARG 12 2HH2 ARG 12 6.707 10.624 -3.792 80 1HH2 ARG 12 2HH1 ARG 12 6.989 8.277 -6.340 81 2HH2 ARG 12 1HH1 ARG 12 7.825 9.126 -5.083 82 H HIS 13 H HIS 13 1.717 4.548 -2.314 83 HA HIS 13 HA HIS 13 2.923 5.658 0.026 84 1HB HIS 13 2HB HIS 13 0.514 5.308 -0.086 85 2HB HIS 13 1HB HIS 13 0.739 3.569 -0.264 86 HD1 HIS 13 HD1 HIS 13 2.017 6.173 2.240 87 HD2 HIS 13 HD2 HIS 13 0.327 2.364 2.168 88 HE1 HIS 13 HE1 HIS 13 1.837 5.425 4.653 89 H CYS 14 H CYS 14 2.707 2.272 -1.122 90 HA CYS 14 HA CYS 14 4.115 1.088 1.060 91 1HB CYS 14 2HB CYS 14 3.757 0.273 -1.828 92 2HB CYS 14 1HB CYS 14 4.664 -0.718 -0.688 93 H LYS 15 H LYS 15 5.250 2.742 -1.845 94 HA LYS 15 HA LYS 15 8.015 1.946 -1.636 95 1HB LYS 15 2HB LYS 15 6.727 4.353 -2.960 96 2HB LYS 15 1HB LYS 15 8.420 3.902 -3.148 97 1HG LYS 15 2HG LYS 15 6.894 1.558 -3.641 98 2HG LYS 15 1HG LYS 15 6.124 2.864 -4.541 99 1HD LYS 15 2HD LYS 15 8.418 3.479 -5.424 100 2HD LYS 15 1HD LYS 15 9.019 1.987 -4.698 101 1HE LYS 15 2HE LYS 15 6.614 1.873 -6.491 102 2HE LYS 15 1HE LYS 15 8.216 1.999 -7.214 103 1HZ LYS 15 1HZ LYS 15 7.154 -0.138 -5.468 104 2HZ LYS 15 2HZ LYS 15 8.825 0.074 -5.697 105 3HZ LYS 15 3HZ LYS 15 7.822 -0.277 -7.022 106 H SER 16 H SER 16 6.189 4.796 -0.482 107 HA SER 16 HA SER 16 8.402 6.212 0.621 108 1HB SER 16 2HB SER 16 6.768 7.468 1.898 109 2HB SER 16 1HB SER 16 6.095 7.153 0.304 110 HG SER 16 HG SER 16 4.928 5.422 1.223 111 H ILE 17 H ILE 17 6.604 3.438 1.806 112 HA ILE 17 HA ILE 17 7.718 3.622 4.517 113 HB ILE 17 HB ILE 17 6.242 1.335 3.169 114 1HG1 ILE 17 2HG1 ILE 17 4.985 3.142 5.198 115 2HG1 ILE 17 1HG1 ILE 17 5.158 3.754 3.552 116 1HG2 ILE 17 1HG2 ILE 17 7.505 0.614 5.135 117 2HG2 ILE 17 2HG2 ILE 17 5.785 0.654 5.526 118 3HG2 ILE 17 3HG2 ILE 17 6.845 1.950 6.079 119 1HD1 ILE 17 1HD1 ILE 17 3.100 2.700 3.389 120 2HD1 ILE 17 2HD1 ILE 17 3.529 1.451 4.556 121 3HD1 ILE 17 3HD1 ILE 17 4.168 1.381 2.914 122 HA PRO 18 HA PRO 18 11.460 1.565 3.283 123 1HB PRO 18 2HB PRO 18 12.534 1.420 5.811 124 2HB PRO 18 1HB PRO 18 12.539 2.890 4.821 125 1HG PRO 18 2HG PRO 18 10.848 2.225 7.186 126 2HG PRO 18 1HG PRO 18 11.350 3.810 6.575 127 1HD PRO 18 2HD PRO 18 8.809 2.621 6.204 128 2HD PRO 18 1HD PRO 18 9.439 4.034 5.330 129 H GLY 19 H GLY 19 12.066 -0.582 3.134 130 1HA GLY 19 2HA GLY 19 12.353 -2.828 3.999 131 2HA GLY 19 1HA GLY 19 11.047 -2.526 5.141 132 H ARG 20 H ARG 20 9.548 -1.255 2.704 133 HA ARG 20 HA ARG 20 8.537 -3.863 1.652 134 1HB ARG 20 2HB ARG 20 6.957 -1.334 1.378 135 2HB ARG 20 1HB ARG 20 6.389 -2.989 1.581 136 1HG ARG 20 2HG ARG 20 7.830 -1.500 3.788 137 2HG ARG 20 1HG ARG 20 6.081 -1.426 3.588 138 1HD ARG 20 2HD ARG 20 5.857 -3.795 3.906 139 2HD ARG 20 1HD ARG 20 7.602 -4.032 3.815 140 HE ARG 20 HE ARG 20 6.266 -2.576 6.065 141 1HH1 ARG 20 1HH2 ARG 20 9.171 -2.184 5.978 142 2HH1 ARG 20 2HH2 ARG 20 9.784 -3.502 6.923 143 1HH2 ARG 20 2HH1 ARG 20 6.840 -5.343 6.741 144 2HH2 ARG 20 1HH1 ARG 20 8.456 -5.295 7.361 145 H CYS 21 H CYS 21 8.226 -4.087 -0.604 146 HA CYS 21 HA CYS 21 9.665 -2.062 -2.255 147 1HB CYS 21 2HB CYS 21 9.630 -4.915 -2.261 148 2HB CYS 21 1HB CYS 21 8.923 -4.371 -3.781 149 H GLY 22 H GLY 22 6.698 -4.064 -2.347 150 1HA GLY 22 2HA GLY 22 5.334 -1.829 -3.769 151 2HA GLY 22 1HA GLY 22 5.218 -3.464 -4.419 152 H GLY 23 H GLY 23 2.811 -2.661 -3.917 153 1HA GLY 23 2HA GLY 23 1.912 -4.246 -1.667 154 2HA GLY 23 1HA GLY 23 1.747 -2.526 -1.335 155 H TYR 24 H TYR 24 -0.562 -3.646 -1.256 156 HA TYR 24 HA TYR 24 -1.953 -2.784 -3.713 157 1HB TYR 24 2HB TYR 24 -3.157 -4.876 -4.001 158 2HB TYR 24 1HB TYR 24 -1.430 -5.229 -4.023 159 HD1 TYR 24 HD1 TYR 24 -0.317 -6.165 -1.968 160 HD2 TYR 24 HD2 TYR 24 -4.579 -5.716 -2.268 161 HE1 TYR 24 HE1 TYR 24 -0.617 -7.699 -0.042 162 HE2 TYR 24 HE2 TYR 24 -4.877 -7.251 -0.345 163 HH TYR 24 HH TYR 24 -3.254 -9.266 0.666 164 H CYS 25 H CYS 25 -4.332 -2.622 -3.332 165 HA CYS 25 HA CYS 25 -4.887 -1.792 -0.561 166 1HB CYS 25 2HB CYS 25 -6.529 -1.689 -3.107 167 2HB CYS 25 1HB CYS 25 -7.138 -1.156 -1.541 168 H GLY 26 H GLY 26 -5.607 -3.263 0.892 169 1HA GLY 26 2HA GLY 26 -7.849 -4.968 0.496 170 2HA GLY 26 1HA GLY 26 -6.393 -5.926 0.232 171 H GLY 27 H GLY 27 -8.452 -5.926 2.458 172 1HA GLY 27 2HA GLY 27 -7.499 -6.900 4.644 173 2HA GLY 27 1HA GLY 27 -6.635 -5.368 4.767 174 H TRP 28 H TRP 28 -8.116 -3.385 4.600 175 HA TRP 28 HA TRP 28 -10.585 -3.893 6.201 176 1HB TRP 28 2HB TRP 28 -8.785 -2.517 7.289 177 2HB TRP 28 1HB TRP 28 -8.978 -1.327 6.003 178 HD1 TRP 28 HD1 TRP 28 -10.962 -2.947 8.879 179 HE1 TRP 28 HE1 TRP 28 -12.822 -1.318 9.602 180 HE3 TRP 28 HE3 TRP 28 -10.402 0.673 5.320 181 HZ2 TRP 28 HZ2 TRP 28 -13.925 1.189 8.784 182 HZ3 TRP 28 HZ3 TRP 28 -11.868 2.669 5.318 183 HH2 TRP 28 HH2 TRP 28 -13.630 2.930 7.043 184 H HIS 29 H HIS 29 -12.007 -4.187 4.448 185 HA HIS 29 HA HIS 29 -13.461 -3.552 2.731 186 1HB HIS 29 2HB HIS 29 -12.785 -0.748 3.675 187 2HB HIS 29 1HB HIS 29 -14.214 -1.227 2.766 188 HD1 HIS 29 HD1 HIS 29 -14.157 0.016 5.736 189 HD2 HIS 29 HD2 HIS 29 -14.718 -3.994 4.750 190 HE1 HIS 29 HE1 HIS 29 -15.329 -1.051 7.713 191 H ARG 30 H ARG 30 -10.575 -3.837 2.134 192 HA ARG 30 HA ARG 30 -9.085 -3.462 0.372 193 1HB ARG 30 2HB ARG 30 -11.243 -4.038 -0.880 194 2HB ARG 30 1HB ARG 30 -11.447 -2.303 -1.118 195 1HG ARG 30 2HG ARG 30 -9.664 -2.150 -2.570 196 2HG ARG 30 1HG ARG 30 -8.784 -3.464 -1.793 197 1HD ARG 30 2HD ARG 30 -11.347 -4.135 -3.172 198 2HD ARG 30 1HD ARG 30 -9.940 -3.785 -4.176 199 HE ARG 30 HE ARG 30 -9.285 -5.663 -2.070 200 1HH1 ARG 30 2HH1 ARG 30 -8.153 -5.937 -4.767 201 2HH1 ARG 30 1HH1 ARG 30 -9.029 -7.276 -5.431 202 1HH2 ARG 30 1HH2 ARG 30 -11.577 -7.112 -3.072 203 2HH2 ARG 30 2HH2 ARG 30 -10.974 -7.944 -4.466 204 H LEU 31 H LEU 31 -9.682 -1.297 2.374 205 HA LEU 31 HA LEU 31 -8.947 1.097 0.753 206 1HB LEU 31 2HB LEU 31 -10.225 0.822 3.482 207 2HB LEU 31 1HB LEU 31 -9.612 2.355 2.863 208 HG LEU 31 HG LEU 31 -11.539 0.695 1.243 209 1HD1 LEU 31 1HD1 LEU 31 -13.392 1.935 2.216 210 2HD1 LEU 31 2HD1 LEU 31 -12.287 2.840 3.250 211 3HD1 LEU 31 3HD1 LEU 31 -12.519 1.112 3.509 212 1HD2 LEU 31 1HD2 LEU 31 -10.909 3.663 1.385 213 2HD2 LEU 31 2HD2 LEU 31 -12.064 2.916 0.282 214 3HD2 LEU 31 3HD2 LEU 31 -10.345 2.551 0.138 215 H ARG 32 H ARG 32 -7.783 -1.162 3.116 216 HA ARG 32 HA ARG 32 -5.650 0.605 4.100 217 1HB ARG 32 2HB ARG 32 -6.911 -1.495 5.240 218 2HB ARG 32 1HB ARG 32 -5.529 -2.335 4.543 219 1HG ARG 32 2HG ARG 32 -4.348 -1.659 6.343 220 2HG ARG 32 1HG ARG 32 -4.429 -0.028 5.678 221 1HD ARG 32 2HD ARG 32 -6.684 0.205 6.834 222 2HD ARG 32 1HD ARG 32 -6.319 -1.305 7.669 223 HE ARG 32 HE ARG 32 -4.109 0.117 8.279 224 1HH1 ARG 32 2HH1 ARG 32 -6.500 -0.080 10.163 225 2HH1 ARG 32 1HH1 ARG 32 -6.784 1.589 10.526 226 1HH2 ARG 32 1HH2 ARG 32 -4.851 2.760 7.882 227 2HH2 ARG 32 2HH2 ARG 32 -5.843 3.205 9.230 228 H CYS 33 H CYS 33 -3.486 0.476 3.459 229 HA CYS 33 HA CYS 33 -2.994 -0.939 0.902 230 1HB CYS 33 2HB CYS 33 -1.754 1.362 2.339 231 2HB CYS 33 1HB CYS 33 -0.702 0.398 1.302 232 H THR 34 H THR 34 -2.287 -3.003 1.125 233 HA THR 34 HA THR 34 -0.577 -3.716 3.447 234 HB THR 34 HB THR 34 -1.959 -5.444 1.367 235 HG1 THR 34 HG1 THR 34 -3.567 -5.196 2.675 236 1HG2 THR 34 1HG2 THR 34 -1.337 -7.315 2.889 237 2HG2 THR 34 2HG2 THR 34 -0.387 -6.184 3.853 238 3HG2 THR 34 3HG2 THR 34 0.075 -6.528 2.186 239 H CYS 35 H CYS 35 1.568 -3.440 3.083 240 HA CYS 35 HA CYS 35 2.642 -3.836 0.334 241 1HB CYS 35 2HB CYS 35 4.215 -2.759 2.672 242 2HB CYS 35 1HB CYS 35 4.485 -2.496 0.950 243 H TYR 36 H TYR 36 4.654 -5.081 0.089 244 HA TYR 36 HA TYR 36 4.977 -7.174 2.202 245 1HB TYR 36 2HB TYR 36 5.761 -8.594 0.120 246 2HB TYR 36 1HB TYR 36 4.047 -8.438 0.492 247 HD1 TYR 36 HD1 TYR 36 2.555 -7.215 -0.946 248 HD2 TYR 36 HD2 TYR 36 6.786 -7.216 -1.694 249 HE1 TYR 36 HE1 TYR 36 2.160 -6.196 -3.170 250 HE2 TYR 36 HE2 TYR 36 6.391 -6.198 -3.920 251 HH TYR 36 HH TYR 36 3.164 -5.157 -4.930 252 H ARG 37 H ARG 37 7.135 -8.153 2.303 253 HA ARG 37 HA ARG 37 9.245 -6.209 2.305 254 1HB ARG 37 2HB ARG 37 9.354 -9.237 2.451 255 2HB ARG 37 1HB ARG 37 10.722 -8.172 2.774 256 1HG ARG 37 2HG ARG 37 9.876 -7.465 4.789 257 2HG ARG 37 1HG ARG 37 8.201 -7.584 4.248 258 1HD ARG 37 2HD ARG 37 8.871 -10.198 4.173 259 2HD ARG 37 1HD ARG 37 9.955 -9.663 5.456 260 HE ARG 37 HE ARG 37 8.001 -8.994 6.759 261 1HH1 ARG 37 2HH1 ARG 37 7.571 -11.808 5.293 262 2HH1 ARG 37 1HH1 ARG 37 5.864 -11.701 5.025 263 1HH2 ARG 37 1HH2 ARG 37 5.691 -8.311 5.763 264 2HH2 ARG 37 2HH2 ARG 37 4.795 -9.718 5.294 265 H CYS 38 H CYS 38 11.209 -6.233 1.027 266 HA CYS 38 HA CYS 38 10.694 -6.970 -1.802 267 1HB CYS 38 2HB CYS 38 11.569 -4.648 -0.947 268 2HB CYS 38 1HB CYS 38 13.128 -5.471 -0.878 269 H GLY 39 HN GLY 39 11.480 -8.880 -2.493 270 1HA GLY 39 2HA GLY 39 12.968 -10.655 -2.855 271 2HA GLY 39 1HA GLY 39 14.208 -9.691 -2.058 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -8.320 4.872 1.412 2 2H GLY 1 2H GLY 1 -8.753 4.879 3.055 3 3H GLY 1 3H GLY 1 -7.696 3.689 2.457 4 1HA GLY 1 2HA GLY 1 -7.064 6.588 2.408 5 2HA GLY 1 1HA GLY 1 -6.603 5.526 3.739 6 H PHE 2 H PHE 2 -4.492 6.606 2.609 7 HA PHE 2 HA PHE 2 -2.469 6.178 1.508 8 1HB PHE 2 2HB PHE 2 -3.445 3.310 1.424 9 2HB PHE 2 1HB PHE 2 -1.772 3.868 1.379 10 HD1 PHE 2 HD1 PHE 2 -1.082 5.441 3.424 11 HD2 PHE 2 HD2 PHE 2 -4.326 2.627 3.470 12 HE1 PHE 2 HE1 PHE 2 -1.004 5.393 5.902 13 HE2 PHE 2 HE2 PHE 2 -4.246 2.577 5.948 14 HZ PHE 2 HZ PHE 2 -2.585 3.960 7.164 15 H GLY 3 H GLY 3 -4.996 6.699 -0.087 16 1HA GLY 3 2HA GLY 3 -5.434 6.998 -2.365 17 2HA GLY 3 1HA GLY 3 -3.855 6.298 -2.715 18 H CYS 4 H CYS 4 -6.528 4.767 -0.916 19 HA CYS 4 HA CYS 4 -6.461 2.545 -2.896 20 1HB CYS 4 2HB CYS 4 -7.220 2.760 -0.008 21 2HB CYS 4 1HB CYS 4 -7.994 1.513 -0.984 22 HA PRO 5 HA PRO 5 -7.801 0.760 -2.973 23 1HB PRO 5 2HB PRO 5 -9.196 -0.321 -5.075 24 2HB PRO 5 1HB PRO 5 -9.777 -0.336 -3.401 25 1HG PRO 5 2HG PRO 5 -10.711 1.318 -5.690 26 2HG PRO 5 1HG PRO 5 -11.578 0.845 -4.219 27 1HD PRO 5 2HD PRO 5 -10.370 3.376 -4.738 28 2HD PRO 5 1HD PRO 5 -11.047 2.818 -3.192 29 H ASN 6 H ASN 6 -7.313 3.373 -4.805 30 HA ASN 6 HA ASN 6 -6.474 2.456 -7.368 31 1HB ASN 6 2HB ASN 6 -6.746 4.884 -6.461 32 2HB ASN 6 1HB ASN 6 -5.080 4.697 -5.911 33 1HD2 ASN 6 1HD2 ASN 6 -7.137 4.843 -8.807 34 2HD2 ASN 6 2HD2 ASN 6 -5.863 5.060 -9.907 35 H ASN 7 H ASN 7 -5.079 0.757 -7.561 36 HA ASN 7 HA ASN 7 -3.059 0.062 -5.654 37 1HB ASN 7 2HB ASN 7 -3.606 -0.747 -8.502 38 2HB ASN 7 1HB ASN 7 -2.159 -1.316 -7.668 39 1HD2 ASN 7 1HD2 ASN 7 -2.416 -3.009 -6.131 40 2HD2 ASN 7 2HD2 ASN 7 -3.921 -3.662 -5.698 41 H TYR 8 H TYR 8 -2.981 2.210 -8.456 42 HA TYR 8 HA TYR 8 -0.115 2.350 -8.698 43 1HB TYR 8 2HB TYR 8 -1.484 3.176 -10.518 44 2HB TYR 8 1HB TYR 8 -2.309 4.308 -9.451 45 HD1 TYR 8 HD1 TYR 8 1.184 3.421 -10.519 46 HD2 TYR 8 HD2 TYR 8 -1.587 6.514 -9.428 47 HE1 TYR 8 HE1 TYR 8 2.912 5.136 -10.991 48 HE2 TYR 8 HE2 TYR 8 0.140 8.229 -9.898 49 HH TYR 8 HH TYR 8 2.958 8.047 -9.898 50 H GLN 9 H GLN 9 -2.459 4.529 -7.076 51 HA GLN 9 HA GLN 9 -0.438 6.122 -5.775 52 1HB GLN 9 2HB GLN 9 -3.345 5.646 -5.030 53 2HB GLN 9 1HB GLN 9 -2.317 6.897 -4.333 54 1HG GLN 9 2HG GLN 9 -2.915 6.652 -7.296 55 2HG GLN 9 1HG GLN 9 -3.780 7.725 -6.200 56 1HE2 GLN 9 1HE2 GLN 9 -1.926 8.390 -8.528 57 2HE2 GLN 9 2HE2 GLN 9 -0.743 9.406 -7.860 58 H CYS 10 H CYS 10 -2.323 3.265 -4.840 59 HA CYS 10 HA CYS 10 -1.484 3.027 -2.134 60 1HB CYS 10 2HB CYS 10 -3.271 1.658 -3.309 61 2HB CYS 10 1HB CYS 10 -1.972 0.731 -4.055 62 H HIS 11 H HIS 11 -0.039 1.790 -5.148 63 HA HIS 11 HA HIS 11 2.163 0.397 -4.000 64 1HB HIS 11 2HB HIS 11 1.597 0.136 -6.360 65 2HB HIS 11 1HB HIS 11 1.919 1.843 -6.660 66 HD1 HIS 11 HD1 HIS 11 4.070 -0.564 -4.646 67 HD2 HIS 11 HD2 HIS 11 4.257 1.665 -8.162 68 HE1 HIS 11 HE1 HIS 11 6.439 -0.789 -5.509 69 H ARG 12 H ARG 12 1.751 3.813 -4.908 70 HA ARG 12 HA ARG 12 4.429 4.671 -4.420 71 1HB ARG 12 2HB ARG 12 2.407 5.945 -5.483 72 2HB ARG 12 1HB ARG 12 2.045 6.412 -3.822 73 1HG ARG 12 2HG ARG 12 3.924 7.727 -3.632 74 2HG ARG 12 1HG ARG 12 4.866 6.726 -4.737 75 1HD ARG 12 2HD ARG 12 3.299 7.587 -6.586 76 2HD ARG 12 1HD ARG 12 2.785 8.806 -5.418 77 HE ARG 12 HE ARG 12 5.644 8.512 -6.265 78 1HH1 ARG 12 1HH2 ARG 12 5.111 10.351 -4.004 79 2HH1 ARG 12 2HH2 ARG 12 4.892 11.878 -4.793 80 1HH2 ARG 12 2HH1 ARG 12 4.380 10.472 -7.931 81 2HH2 ARG 12 1HH1 ARG 12 4.479 11.947 -7.029 82 H HIS 13 H HIS 13 1.601 4.416 -2.254 83 HA HIS 13 HA HIS 13 2.829 5.547 0.069 84 1HB HIS 13 2HB HIS 13 0.430 5.239 0.033 85 2HB HIS 13 1HB HIS 13 0.606 3.502 -0.220 86 HD1 HIS 13 HD1 HIS 13 1.725 6.076 2.378 87 HD2 HIS 13 HD2 HIS 13 0.494 2.100 2.152 88 HE1 HIS 13 HE1 HIS 13 1.682 5.202 4.756 89 H CYS 14 H CYS 14 2.728 2.204 -1.164 90 HA CYS 14 HA CYS 14 4.095 1.037 1.091 91 1HB CYS 14 2HB CYS 14 3.829 0.110 -1.783 92 2HB CYS 14 1HB CYS 14 4.516 -0.868 -0.488 93 H LYS 15 H LYS 15 5.169 2.612 -1.873 94 HA LYS 15 HA LYS 15 7.922 1.788 -1.745 95 1HB LYS 15 2HB LYS 15 6.448 4.015 -3.135 96 2HB LYS 15 1HB LYS 15 8.212 3.966 -3.158 97 1HG LYS 15 2HG LYS 15 7.917 1.492 -3.900 98 2HG LYS 15 1HG LYS 15 6.261 1.963 -4.287 99 1HD LYS 15 2HD LYS 15 8.536 3.655 -5.279 100 2HD LYS 15 1HD LYS 15 8.143 2.157 -6.122 101 1HE LYS 15 2HE LYS 15 6.359 3.114 -7.104 102 2HE LYS 15 1HE LYS 15 5.719 3.618 -5.541 103 1HZ LYS 15 1HZ LYS 15 7.062 5.575 -5.600 104 2HZ LYS 15 2HZ LYS 15 6.207 5.481 -7.065 105 3HZ LYS 15 3HZ LYS 15 7.855 5.065 -7.013 106 H SER 16 H SER 16 6.171 4.624 -0.441 107 HA SER 16 HA SER 16 8.510 5.962 0.558 108 1HB SER 16 2HB SER 16 6.820 7.050 2.166 109 2HB SER 16 1HB SER 16 6.551 7.296 0.445 110 HG SER 16 HG SER 16 5.236 5.525 2.222 111 H ILE 17 H ILE 17 6.524 3.335 1.814 112 HA ILE 17 HA ILE 17 7.612 3.406 4.505 113 HB ILE 17 HB ILE 17 6.295 1.117 3.003 114 1HG1 ILE 17 2HG1 ILE 17 4.971 2.807 5.110 115 2HG1 ILE 17 1HG1 ILE 17 5.049 3.402 3.451 116 1HG2 ILE 17 1HG2 ILE 17 5.818 0.304 5.339 117 2HG2 ILE 17 2HG2 ILE 17 6.886 1.569 5.944 118 3HG2 ILE 17 3HG2 ILE 17 7.531 0.287 4.919 119 1HD1 ILE 17 1HD1 ILE 17 3.466 1.949 2.754 120 2HD1 ILE 17 2HD1 ILE 17 3.129 1.666 4.461 121 3HD1 ILE 17 3HD1 ILE 17 4.230 0.597 3.591 122 HA PRO 18 HA PRO 18 11.510 1.619 3.344 123 1HB PRO 18 2HB PRO 18 12.515 1.492 5.901 124 2HB PRO 18 1HB PRO 18 12.458 2.978 4.937 125 1HG PRO 18 2HG PRO 18 10.745 2.167 7.238 126 2HG PRO 18 1HG PRO 18 11.163 3.790 6.667 127 1HD PRO 18 2HD PRO 18 8.715 2.450 6.201 128 2HD PRO 18 1HD PRO 18 9.276 3.917 5.372 129 H GLY 19 H GLY 19 11.813 -0.510 2.890 130 1HA GLY 19 2HA GLY 19 12.342 -2.766 3.752 131 2HA GLY 19 1HA GLY 19 11.052 -2.552 4.936 132 H ARG 20 H ARG 20 9.155 -1.379 3.071 133 HA ARG 20 HA ARG 20 8.202 -3.874 1.835 134 1HB ARG 20 2HB ARG 20 6.848 -1.191 1.578 135 2HB ARG 20 1HB ARG 20 6.119 -2.793 1.537 136 1HG ARG 20 2HG ARG 20 7.510 -1.754 4.013 137 2HG ARG 20 1HG ARG 20 5.808 -1.423 3.697 138 1HD ARG 20 2HD ARG 20 6.181 -4.193 3.226 139 2HD ARG 20 1HD ARG 20 7.013 -3.829 4.736 140 HE ARG 20 HE ARG 20 4.248 -4.118 4.575 141 1HH1 ARG 20 2HH1 ARG 20 6.432 -2.683 6.589 142 2HH1 ARG 20 1HH1 ARG 20 5.371 -1.463 7.208 143 1HH2 ARG 20 1HH2 ARG 20 2.880 -2.057 4.858 144 2HH2 ARG 20 2HH2 ARG 20 3.355 -1.104 6.224 145 H CYS 21 H CYS 21 7.955 -4.206 -0.387 146 HA CYS 21 HA CYS 21 9.467 -2.318 -2.133 147 1HB CYS 21 2HB CYS 21 9.412 -5.163 -1.936 148 2HB CYS 21 1HB CYS 21 8.730 -4.729 -3.503 149 H GLY 22 H GLY 22 6.542 -4.384 -2.249 150 1HA GLY 22 2HA GLY 22 5.189 -2.227 -3.808 151 2HA GLY 22 1HA GLY 22 5.076 -3.908 -4.333 152 H GLY 23 H GLY 23 2.684 -2.833 -3.863 153 1HA GLY 23 2HA GLY 23 1.719 -4.326 -1.552 154 2HA GLY 23 1HA GLY 23 1.585 -2.584 -1.339 155 H TYR 24 H TYR 24 -0.729 -3.850 -1.262 156 HA TYR 24 HA TYR 24 -2.067 -3.042 -3.781 157 1HB TYR 24 2HB TYR 24 -3.295 -5.131 -3.972 158 2HB TYR 24 1HB TYR 24 -1.574 -5.507 -3.938 159 HD1 TYR 24 HD1 TYR 24 -0.521 -6.393 -1.849 160 HD2 TYR 24 HD2 TYR 24 -4.764 -5.803 -2.191 161 HE1 TYR 24 HE1 TYR 24 -0.884 -7.821 0.146 162 HE2 TYR 24 HE2 TYR 24 -5.124 -7.231 -0.198 163 HH TYR 24 HH TYR 24 -3.531 -9.270 0.913 164 H CYS 25 H CYS 25 -4.455 -2.828 -3.449 165 HA CYS 25 HA CYS 25 -5.020 -1.822 -0.740 166 1HB CYS 25 2HB CYS 25 -6.554 -1.763 -3.346 167 2HB CYS 25 1HB CYS 25 -7.253 -1.198 -1.829 168 H GLY 26 H GLY 26 -5.637 -3.305 0.748 169 1HA GLY 26 2HA GLY 26 -8.005 -4.905 0.421 170 2HA GLY 26 1HA GLY 26 -6.572 -5.918 0.264 171 H GLY 27 H GLY 27 -8.681 -5.728 2.435 172 1HA GLY 27 2HA GLY 27 -7.791 -6.576 4.699 173 2HA GLY 27 1HA GLY 27 -6.898 -5.057 4.742 174 H TRP 28 H TRP 28 -8.008 -3.143 5.238 175 HA TRP 28 HA TRP 28 -10.573 -3.488 6.607 176 1HB TRP 28 2HB TRP 28 -8.739 -1.990 7.461 177 2HB TRP 28 1HB TRP 28 -9.030 -0.928 6.085 178 HD1 TRP 28 HD1 TRP 28 -10.803 -2.300 9.214 179 HE1 TRP 28 HE1 TRP 28 -12.666 -0.653 9.881 180 HE3 TRP 28 HE3 TRP 28 -10.556 0.953 5.285 181 HZ2 TRP 28 HZ2 TRP 28 -13.890 1.732 8.885 182 HZ3 TRP 28 HZ3 TRP 28 -12.079 2.903 5.172 183 HH2 TRP 28 HH2 TRP 28 -13.747 3.295 6.963 184 H HIS 29 H HIS 29 -12.051 -3.983 4.939 185 HA HIS 29 HA HIS 29 -13.588 -3.535 3.235 186 1HB HIS 29 2HB HIS 29 -12.973 -0.638 3.892 187 2HB HIS 29 1HB HIS 29 -14.432 -1.255 3.124 188 HD1 HIS 29 HD1 HIS 29 -14.261 0.274 5.950 189 HD2 HIS 29 HD2 HIS 29 -14.698 -3.833 5.392 190 HE1 HIS 29 HE1 HIS 29 -15.271 -0.636 8.088 191 H ARG 30 H ARG 30 -10.685 -3.737 2.586 192 HA ARG 30 HA ARG 30 -9.274 -3.475 0.747 193 1HB ARG 30 2HB ARG 30 -11.388 -4.286 -0.394 194 2HB ARG 30 1HB ARG 30 -11.768 -2.597 -0.732 195 1HG ARG 30 2HG ARG 30 -10.104 -2.390 -2.296 196 2HG ARG 30 1HG ARG 30 -9.028 -3.501 -1.450 197 1HD ARG 30 2HD ARG 30 -10.956 -5.242 -2.156 198 2HD ARG 30 1HD ARG 30 -11.140 -4.074 -3.466 199 HE ARG 30 HE ARG 30 -8.361 -4.870 -2.996 200 1HH1 ARG 30 1HH2 ARG 30 -10.140 -4.177 -5.537 201 2HH1 ARG 30 2HH2 ARG 30 -9.948 -5.658 -6.412 202 1HH2 ARG 30 2HH1 ARG 30 -8.634 -7.397 -3.705 203 2HH2 ARG 30 1HH1 ARG 30 -9.094 -7.487 -5.373 204 H LEU 31 H LEU 31 -9.811 -1.174 2.562 205 HA LEU 31 HA LEU 31 -9.221 1.076 0.686 206 1HB LEU 31 2HB LEU 31 -10.404 1.123 3.477 207 2HB LEU 31 1HB LEU 31 -9.987 2.561 2.547 208 HG LEU 31 HG LEU 31 -11.796 0.470 1.357 209 1HD1 LEU 31 1HD1 LEU 31 -13.735 1.574 2.287 210 2HD1 LEU 31 2HD1 LEU 31 -12.727 2.801 3.055 211 3HD1 LEU 31 3HD1 LEU 31 -12.674 1.133 3.624 212 1HD2 LEU 31 1HD2 LEU 31 -10.866 2.309 -0.044 213 2HD2 LEU 31 2HD2 LEU 31 -11.606 3.484 1.042 214 3HD2 LEU 31 3HD2 LEU 31 -12.622 2.401 0.092 215 H ARG 32 H ARG 32 -7.660 -1.051 2.700 216 HA ARG 32 HA ARG 32 -5.705 0.974 3.686 217 1HB ARG 32 2HB ARG 32 -6.792 -0.767 5.260 218 2HB ARG 32 1HB ARG 32 -5.766 -1.950 4.449 219 1HG ARG 32 2HG ARG 32 -3.859 -0.196 4.960 220 2HG ARG 32 1HG ARG 32 -4.980 0.353 6.205 221 1HD ARG 32 2HD ARG 32 -4.769 -1.568 7.440 222 2HD ARG 32 1HD ARG 32 -4.547 -2.583 6.015 223 HE ARG 32 HE ARG 32 -2.362 -0.798 7.018 224 1HH1 ARG 32 1HH2 ARG 32 -2.976 -3.801 7.840 225 2HH1 ARG 32 2HH2 ARG 32 -1.722 -4.589 6.942 226 1HH2 ARG 32 2HH1 ARG 32 -1.013 -1.808 4.981 227 2HH2 ARG 32 1HH1 ARG 32 -0.605 -3.456 5.325 228 H CYS 33 H CYS 33 -3.481 0.728 3.147 229 HA CYS 33 HA CYS 33 -3.001 -0.816 0.671 230 1HB CYS 33 2HB CYS 33 -1.613 1.428 2.088 231 2HB CYS 33 1HB CYS 33 -0.664 0.400 1.014 232 H THR 34 H THR 34 -2.551 -2.943 1.094 233 HA THR 34 HA THR 34 -0.874 -3.656 3.417 234 HB THR 34 HB THR 34 -2.291 -5.345 1.337 235 HG1 THR 34 HG1 THR 34 -2.716 -5.189 4.130 236 1HG2 THR 34 1HG2 THR 34 -1.669 -7.216 2.992 237 2HG2 THR 34 2HG2 THR 34 -0.468 -6.092 3.627 238 3HG2 THR 34 3HG2 THR 34 -0.381 -6.618 1.946 239 H CYS 35 H CYS 35 1.258 -3.321 3.097 240 HA CYS 35 HA CYS 35 2.451 -3.937 0.438 241 1HB CYS 35 2HB CYS 35 3.951 -2.592 2.667 242 2HB CYS 35 1HB CYS 35 4.162 -2.420 0.925 243 H TYR 36 H TYR 36 4.411 -5.216 0.368 244 HA TYR 36 HA TYR 36 4.762 -6.986 2.756 245 1HB TYR 36 2HB TYR 36 5.611 -8.645 0.881 246 2HB TYR 36 1HB TYR 36 3.889 -8.486 1.213 247 HD1 TYR 36 HD1 TYR 36 6.625 -7.492 -1.089 248 HD2 TYR 36 HD2 TYR 36 2.386 -7.491 -0.384 249 HE1 TYR 36 HE1 TYR 36 6.232 -6.781 -3.432 250 HE2 TYR 36 HE2 TYR 36 1.996 -6.779 -2.725 251 HH TYR 36 HH TYR 36 3.408 -7.044 -4.987 252 H ARG 37 H ARG 37 6.946 -7.907 2.995 253 HA ARG 37 HA ARG 37 9.009 -5.921 2.752 254 1HB ARG 37 2HB ARG 37 9.005 -8.847 3.493 255 2HB ARG 37 1HB ARG 37 10.512 -7.939 3.369 256 1HG ARG 37 2HG ARG 37 9.784 -6.367 5.058 257 2HG ARG 37 1HG ARG 37 8.167 -7.069 5.081 258 1HD ARG 37 2HD ARG 37 10.657 -8.650 5.769 259 2HD ARG 37 1HD ARG 37 9.688 -7.810 6.978 260 HE ARG 37 HE ARG 37 7.803 -9.331 5.707 261 1HH1 ARG 37 1HH2 ARG 37 9.991 -11.175 4.830 262 2HH1 ARG 37 2HH2 ARG 37 10.068 -12.305 6.141 263 1HH2 ARG 37 2HH1 ARG 37 8.300 -10.271 8.338 264 2HH2 ARG 37 1HH1 ARG 37 9.104 -11.791 8.136 265 H CYS 38 H CYS 38 10.951 -6.025 1.480 266 HA CYS 38 HA CYS 38 10.499 -7.155 -1.219 267 1HB CYS 38 2HB CYS 38 11.393 -4.747 -0.606 268 2HB CYS 38 1HB CYS 38 12.942 -5.580 -0.470 269 H GLY 39 HN GLY 39 11.583 -8.932 -1.967 270 1HA GLY 39 2HA GLY 39 13.448 -10.303 -0.128 271 2HA GLY 39 1HA GLY 39 12.735 -10.998 -1.584 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -9.058 4.715 2.882 2 2H GLY 1 2H GLY 1 -8.023 3.662 2.039 3 3H GLY 1 3H GLY 1 -8.681 5.020 1.256 4 1HA GLY 1 2HA GLY 1 -7.333 6.514 2.379 5 2HA GLY 1 1HA GLY 1 -6.969 5.337 3.640 6 H PHE 2 H PHE 2 -4.795 6.480 2.629 7 HA PHE 2 HA PHE 2 -2.749 6.089 1.550 8 1HB PHE 2 2HB PHE 2 -3.720 3.223 1.389 9 2HB PHE 2 1HB PHE 2 -2.049 3.780 1.383 10 HD1 PHE 2 HD1 PHE 2 -1.093 4.862 3.450 11 HD2 PHE 2 HD2 PHE 2 -4.930 2.930 3.429 12 HE1 PHE 2 HE1 PHE 2 -1.047 4.742 5.926 13 HE2 PHE 2 HE2 PHE 2 -4.884 2.811 5.906 14 HZ PHE 2 HZ PHE 2 -2.943 3.717 7.154 15 H GLY 3 H GLY 3 -5.244 6.631 -0.102 16 1HA GLY 3 2HA GLY 3 -5.639 6.944 -2.389 17 2HA GLY 3 1HA GLY 3 -4.041 6.271 -2.708 18 H CYS 4 H CYS 4 -6.845 4.789 -1.055 19 HA CYS 4 HA CYS 4 -6.646 2.516 -2.976 20 1HB CYS 4 2HB CYS 4 -7.542 2.759 -0.120 21 2HB CYS 4 1HB CYS 4 -8.177 1.448 -1.113 22 HA PRO 5 HA PRO 5 -7.957 0.704 -3.047 23 1HB PRO 5 2HB PRO 5 -9.310 -0.447 -5.138 24 2HB PRO 5 1HB PRO 5 -9.914 -0.425 -3.473 25 1HG PRO 5 2HG PRO 5 -10.837 1.153 -5.819 26 2HG PRO 5 1HG PRO 5 -11.717 0.715 -4.347 27 1HD PRO 5 2HD PRO 5 -10.525 3.240 -4.927 28 2HD PRO 5 1HD PRO 5 -11.226 2.725 -3.378 29 H ASN 6 H ASN 6 -7.334 3.256 -4.829 30 HA ASN 6 HA ASN 6 -6.558 2.425 -7.429 31 1HB ASN 6 2HB ASN 6 -6.614 4.804 -6.422 32 2HB ASN 6 1HB ASN 6 -5.002 4.443 -5.810 33 1HD2 ASN 6 1HD2 ASN 6 -6.822 5.278 -8.673 34 2HD2 ASN 6 2HD2 ASN 6 -5.508 5.287 -9.745 35 H ASN 7 H ASN 7 -4.844 1.257 -8.184 36 HA ASN 7 HA ASN 7 -3.132 -0.159 -6.290 37 1HB ASN 7 2HB ASN 7 -3.421 -0.144 -9.293 38 2HB ASN 7 1HB ASN 7 -2.064 -0.971 -8.528 39 1HD2 ASN 7 1HD2 ASN 7 -2.686 -2.662 -6.821 40 2HD2 ASN 7 2HD2 ASN 7 -4.139 -3.511 -7.042 41 H TYR 8 H TYR 8 -2.639 2.388 -8.744 42 HA TYR 8 HA TYR 8 0.202 2.566 -8.467 43 1HB TYR 8 2HB TYR 8 -1.363 3.615 -10.265 44 2HB TYR 8 1HB TYR 8 -1.543 4.940 -9.115 45 HD1 TYR 8 HD1 TYR 8 0.283 6.446 -8.628 46 HD2 TYR 8 HD2 TYR 8 0.854 3.075 -11.229 47 HE1 TYR 8 HE1 TYR 8 2.466 7.375 -9.353 48 HE2 TYR 8 HE2 TYR 8 3.036 4.004 -11.954 49 HH TYR 8 HH TYR 8 4.741 6.109 -10.401 50 H GLN 9 H GLN 9 -2.403 4.521 -6.964 51 HA GLN 9 HA GLN 9 -0.665 6.091 -5.319 52 1HB GLN 9 2HB GLN 9 -3.577 5.322 -4.980 53 2HB GLN 9 1HB GLN 9 -2.746 6.488 -3.950 54 1HG GLN 9 2HG GLN 9 -2.664 6.801 -6.942 55 2HG GLN 9 1HG GLN 9 -4.067 7.363 -6.033 56 1HE2 GLN 9 1HE2 GLN 9 -3.721 9.110 -4.446 57 2HE2 GLN 9 2HE2 GLN 9 -2.333 10.084 -4.518 58 H CYS 10 H CYS 10 -2.369 3.018 -4.701 59 HA CYS 10 HA CYS 10 -1.563 2.752 -1.963 60 1HB CYS 10 2HB CYS 10 -3.321 1.379 -3.266 61 2HB CYS 10 1HB CYS 10 -1.959 0.419 -3.841 62 H HIS 11 H HIS 11 -0.093 1.694 -5.019 63 HA HIS 11 HA HIS 11 2.141 0.319 -3.846 64 1HB HIS 11 2HB HIS 11 1.463 -0.011 -6.200 65 2HB HIS 11 1HB HIS 11 1.886 1.663 -6.558 66 HD1 HIS 11 HD1 HIS 11 3.877 -0.840 -4.494 67 HD2 HIS 11 HD2 HIS 11 4.221 1.340 -8.029 68 HE1 HIS 11 HE1 HIS 11 6.229 -1.229 -5.349 69 H ARG 12 H ARG 12 1.598 3.678 -4.864 70 HA ARG 12 HA ARG 12 4.259 4.645 -4.535 71 1HB ARG 12 2HB ARG 12 2.177 5.821 -5.554 72 2HB ARG 12 1HB ARG 12 1.814 6.295 -3.894 73 1HG ARG 12 2HG ARG 12 3.982 7.395 -3.691 74 2HG ARG 12 1HG ARG 12 4.447 6.839 -5.300 75 1HD ARG 12 2HD ARG 12 3.055 8.344 -6.374 76 2HD ARG 12 1HD ARG 12 1.906 8.395 -5.037 77 HE ARG 12 HE ARG 12 3.173 10.147 -4.082 78 1HH1 ARG 12 2HH1 ARG 12 5.827 8.782 -4.066 79 2HH1 ARG 12 1HH1 ARG 12 6.756 9.760 -5.153 80 1HH2 ARG 12 1HH2 ARG 12 3.975 11.292 -6.567 81 2HH2 ARG 12 2HH2 ARG 12 5.703 11.186 -6.574 82 H HIS 13 H HIS 13 1.562 4.347 -2.217 83 HA HIS 13 HA HIS 13 2.858 5.607 0.001 84 1HB HIS 13 2HB HIS 13 0.455 5.175 0.032 85 2HB HIS 13 1HB HIS 13 0.734 3.437 -0.068 86 HD1 HIS 13 HD1 HIS 13 1.915 6.262 2.233 87 HD2 HIS 13 HD2 HIS 13 0.625 2.304 2.432 88 HE1 HIS 13 HE1 HIS 13 1.928 5.627 4.685 89 H CYS 14 H CYS 14 2.722 2.182 -1.017 90 HA CYS 14 HA CYS 14 4.269 1.133 1.148 91 1HB CYS 14 2HB CYS 14 3.922 0.147 -1.698 92 2HB CYS 14 1HB CYS 14 4.718 -0.778 -0.426 93 H LYS 15 H LYS 15 5.178 2.685 -1.887 94 HA LYS 15 HA LYS 15 7.953 1.974 -1.899 95 1HB LYS 15 2HB LYS 15 6.295 4.125 -3.168 96 2HB LYS 15 1HB LYS 15 8.049 4.298 -3.188 97 1HG LYS 15 2HG LYS 15 7.818 1.701 -3.953 98 2HG LYS 15 1HG LYS 15 6.323 2.358 -4.621 99 1HD LYS 15 2HD LYS 15 7.918 4.294 -5.460 100 2HD LYS 15 1HD LYS 15 9.164 3.057 -5.282 101 1HE LYS 15 2HE LYS 15 7.667 1.526 -6.663 102 2HE LYS 15 1HE LYS 15 6.684 2.948 -7.017 103 1HZ LYS 15 1HZ LYS 15 9.575 2.614 -7.618 104 2HZ LYS 15 2HZ LYS 15 8.681 4.034 -7.897 105 3HZ LYS 15 3HZ LYS 15 8.308 2.609 -8.746 106 H SER 16 H SER 16 6.269 4.885 -0.642 107 HA SER 16 HA SER 16 8.583 6.192 0.377 108 1HB SER 16 2HB SER 16 6.763 7.111 2.101 109 2HB SER 16 1HB SER 16 6.784 7.631 0.421 110 HG SER 16 HG SER 16 5.248 5.471 1.465 111 H ILE 17 H ILE 17 6.737 3.490 1.655 112 HA ILE 17 HA ILE 17 7.910 3.696 4.332 113 HB ILE 17 HB ILE 17 6.424 1.372 3.066 114 1HG1 ILE 17 2HG1 ILE 17 5.177 3.256 5.033 115 2HG1 ILE 17 1HG1 ILE 17 5.325 3.792 3.360 116 1HG2 ILE 17 1HG2 ILE 17 6.021 0.718 5.411 117 2HG2 ILE 17 2HG2 ILE 17 6.964 2.101 5.964 118 3HG2 ILE 17 3HG2 ILE 17 7.750 0.797 5.075 119 1HD1 ILE 17 1HD1 ILE 17 3.381 2.672 3.034 120 2HD1 ILE 17 2HD1 ILE 17 3.564 1.740 4.520 121 3HD1 ILE 17 3HD1 ILE 17 4.390 1.226 3.048 122 HA PRO 18 HA PRO 18 11.626 1.617 3.045 123 1HB PRO 18 2HB PRO 18 12.796 1.635 5.535 124 2HB PRO 18 1HB PRO 18 12.754 3.041 4.459 125 1HG PRO 18 2HG PRO 18 11.161 2.518 6.923 126 2HG PRO 18 1HG PRO 18 11.625 4.064 6.194 127 1HD PRO 18 2HD PRO 18 9.082 2.835 5.997 128 2HD PRO 18 1HD PRO 18 9.662 4.199 5.017 129 H GLY 19 H GLY 19 12.119 -0.554 2.939 130 1HA GLY 19 2HA GLY 19 12.461 -2.741 3.969 131 2HA GLY 19 1HA GLY 19 11.189 -2.356 5.126 132 H ARG 20 H ARG 20 9.602 -1.214 2.714 133 HA ARG 20 HA ARG 20 8.555 -3.859 1.803 134 1HB ARG 20 2HB ARG 20 6.960 -1.353 1.457 135 2HB ARG 20 1HB ARG 20 6.410 -2.989 1.806 136 1HG ARG 20 2HG ARG 20 7.919 -1.292 3.814 137 2HG ARG 20 1HG ARG 20 6.160 -1.341 3.722 138 1HD ARG 20 2HD ARG 20 6.065 -3.605 4.359 139 2HD ARG 20 1HD ARG 20 7.755 -3.890 3.944 140 HE ARG 20 HE ARG 20 6.878 -2.302 6.328 141 1HH1 ARG 20 1HH2 ARG 20 8.076 -5.263 5.900 142 2HH1 ARG 20 2HH2 ARG 20 9.618 -5.015 6.651 143 1HH2 ARG 20 2HH1 ARG 20 9.315 -1.555 6.739 144 2HH2 ARG 20 1HH1 ARG 20 10.319 -2.911 7.127 145 H CYS 21 H CYS 21 8.235 -4.202 -0.427 146 HA CYS 21 HA CYS 21 9.634 -2.260 -2.195 147 1HB CYS 21 2HB CYS 21 9.501 -5.119 -2.099 148 2HB CYS 21 1HB CYS 21 8.818 -4.585 -3.635 149 H GLY 22 H GLY 22 6.620 -4.202 -2.164 150 1HA GLY 22 2HA GLY 22 5.280 -1.970 -3.601 151 2HA GLY 22 1HA GLY 22 5.141 -3.602 -4.248 152 H GLY 23 H GLY 23 2.756 -2.727 -3.746 153 1HA GLY 23 2HA GLY 23 1.835 -4.284 -1.468 154 2HA GLY 23 1HA GLY 23 1.645 -2.553 -1.207 155 H TYR 24 H TYR 24 -0.673 -3.564 -1.124 156 HA TYR 24 HA TYR 24 -1.992 -2.863 -3.660 157 1HB TYR 24 2HB TYR 24 -3.197 -4.960 -3.884 158 2HB TYR 24 1HB TYR 24 -1.473 -5.323 -3.836 159 HD1 TYR 24 HD1 TYR 24 -0.432 -6.184 -1.718 160 HD2 TYR 24 HD2 TYR 24 -4.679 -5.697 -2.148 161 HE1 TYR 24 HE1 TYR 24 -0.800 -7.632 0.259 162 HE2 TYR 24 HE2 TYR 24 -5.045 -7.147 -0.172 163 HH TYR 24 HH TYR 24 -3.380 -9.167 0.960 164 H CYS 25 H CYS 25 -4.397 -2.747 -3.349 165 HA CYS 25 HA CYS 25 -5.020 -1.727 -0.656 166 1HB CYS 25 2HB CYS 25 -6.532 -1.760 -3.276 167 2HB CYS 25 1HB CYS 25 -7.263 -1.199 -1.771 168 H GLY 26 H GLY 26 -5.626 -3.201 0.847 169 1HA GLY 26 2HA GLY 26 -7.930 -4.876 0.525 170 2HA GLY 26 1HA GLY 26 -6.474 -5.855 0.351 171 H GLY 27 H GLY 27 -8.561 -5.740 2.527 172 1HA GLY 27 2HA GLY 27 -7.597 -6.565 4.786 173 2HA GLY 27 1HA GLY 27 -6.821 -4.982 4.837 174 H TRP 28 H TRP 28 -8.257 -3.079 4.834 175 HA TRP 28 HA TRP 28 -10.785 -3.656 6.294 176 1HB TRP 28 2HB TRP 28 -9.070 -2.137 7.340 177 2HB TRP 28 1HB TRP 28 -9.327 -1.011 6.010 178 HD1 TRP 28 HD1 TRP 28 -11.219 -2.635 8.942 179 HE1 TRP 28 HE1 TRP 28 -13.190 -1.106 9.586 180 HE3 TRP 28 HE3 TRP 28 -10.883 0.855 5.228 181 HZ2 TRP 28 HZ2 TRP 28 -14.455 1.282 8.655 182 HZ3 TRP 28 HZ3 TRP 28 -12.481 2.746 5.134 183 HH2 TRP 28 HH2 TRP 28 -14.267 2.962 6.839 184 H HIS 29 H HIS 29 -12.134 -4.113 4.514 185 HA HIS 29 HA HIS 29 -13.588 -3.628 2.752 186 1HB HIS 29 2HB HIS 29 -13.123 -0.755 3.609 187 2HB HIS 29 1HB HIS 29 -14.503 -1.368 2.702 188 HD1 HIS 29 HD1 HIS 29 -14.571 -0.024 5.632 189 HD2 HIS 29 HD2 HIS 29 -14.838 -4.092 4.773 190 HE1 HIS 29 HE1 HIS 29 -15.689 -1.106 7.632 191 H ARG 30 H ARG 30 -10.670 -3.728 2.221 192 HA ARG 30 HA ARG 30 -9.197 -3.341 0.443 193 1HB ARG 30 2HB ARG 30 -11.367 -4.014 -0.780 194 2HB ARG 30 1HB ARG 30 -11.575 -2.293 -1.096 195 1HG ARG 30 2HG ARG 30 -9.468 -2.187 -2.282 196 2HG ARG 30 1HG ARG 30 -9.068 -3.839 -1.813 197 1HD ARG 30 2HD ARG 30 -11.524 -3.154 -3.443 198 2HD ARG 30 1HD ARG 30 -9.973 -3.555 -4.180 199 HE ARG 30 HE ARG 30 -10.207 -5.746 -2.770 200 1HH1 ARG 30 1HH2 ARG 30 -12.980 -4.944 -1.829 201 2HH1 ARG 30 2HH2 ARG 30 -13.986 -5.808 -2.945 202 1HH2 ARG 30 2HH1 ARG 30 -11.408 -6.412 -5.200 203 2HH2 ARG 30 1HH1 ARG 30 -13.091 -6.643 -4.863 204 H LEU 31 H LEU 31 -9.890 -1.148 2.397 205 HA LEU 31 HA LEU 31 -9.251 1.219 0.698 206 1HB LEU 31 2HB LEU 31 -10.608 0.978 3.387 207 2HB LEU 31 1HB LEU 31 -10.020 2.518 2.760 208 HG LEU 31 HG LEU 31 -11.915 0.715 1.229 209 1HD1 LEU 31 1HD1 LEU 31 -13.706 2.215 1.933 210 2HD1 LEU 31 2HD1 LEU 31 -12.566 3.182 2.867 211 3HD1 LEU 31 3HD1 LEU 31 -12.928 1.528 3.358 212 1HD2 LEU 31 1HD2 LEU 31 -10.930 3.561 0.895 213 2HD2 LEU 31 2HD2 LEU 31 -12.336 2.932 0.038 214 3HD2 LEU 31 3HD2 LEU 31 -10.747 2.218 -0.233 215 H ARG 32 H ARG 32 -7.803 -0.988 2.812 216 HA ARG 32 HA ARG 32 -5.841 1.012 3.821 217 1HB ARG 32 2HB ARG 32 -7.009 -0.861 5.277 218 2HB ARG 32 1HB ARG 32 -5.774 -1.898 4.562 219 1HG ARG 32 2HG ARG 32 -4.394 0.419 5.334 220 2HG ARG 32 1HG ARG 32 -5.506 0.099 6.663 221 1HD ARG 32 2HD ARG 32 -4.590 -2.422 6.151 222 2HD ARG 32 1HD ARG 32 -3.167 -1.462 5.745 223 HE ARG 32 HE ARG 32 -4.502 -0.987 8.364 224 1HH1 ARG 32 1HH2 ARG 32 -2.784 -3.542 8.000 225 2HH1 ARG 32 2HH2 ARG 32 -1.276 -2.998 8.655 226 1HH2 ARG 32 2HH1 ARG 32 -2.143 0.368 8.545 227 2HH2 ARG 32 1HH1 ARG 32 -0.911 -0.776 8.962 228 H CYS 33 H CYS 33 -3.593 0.728 3.354 229 HA CYS 33 HA CYS 33 -3.085 -0.817 0.875 230 1HB CYS 33 2HB CYS 33 -1.776 1.499 2.231 231 2HB CYS 33 1HB CYS 33 -0.767 0.453 1.233 232 H THR 34 H THR 34 -2.321 -2.841 1.110 233 HA THR 34 HA THR 34 -0.735 -3.514 3.539 234 HB THR 34 HB THR 34 -2.159 -5.269 1.514 235 HG1 THR 34 HG1 THR 34 -3.732 -4.909 2.843 236 1HG2 THR 34 1HG2 THR 34 -0.601 -6.031 4.002 237 2HG2 THR 34 2HG2 THR 34 -0.106 -6.355 2.341 238 3HG2 THR 34 3HG2 THR 34 -1.539 -7.140 3.003 239 H CYS 35 H CYS 35 1.419 -3.301 3.207 240 HA CYS 35 HA CYS 35 2.540 -3.789 0.496 241 1HB CYS 35 2HB CYS 35 4.087 -2.718 2.852 242 2HB CYS 35 1HB CYS 35 4.405 -2.490 1.135 243 H TYR 36 H TYR 36 4.542 -5.068 0.314 244 HA TYR 36 HA TYR 36 4.793 -7.130 2.467 245 1HB TYR 36 2HB TYR 36 5.568 -8.611 0.422 246 2HB TYR 36 1HB TYR 36 3.855 -8.419 0.777 247 HD1 TYR 36 HD1 TYR 36 6.633 -7.241 -1.398 248 HD2 TYR 36 HD2 TYR 36 2.389 -7.264 -0.724 249 HE1 TYR 36 HE1 TYR 36 6.267 -6.282 -3.656 250 HE2 TYR 36 HE2 TYR 36 2.025 -6.305 -2.979 251 HH TYR 36 HH TYR 36 3.252 -5.012 -4.651 252 H ARG 37 H ARG 37 6.945 -8.187 2.539 253 HA ARG 37 HA ARG 37 9.086 -6.257 2.526 254 1HB ARG 37 2HB ARG 37 9.074 -9.272 2.825 255 2HB ARG 37 1HB ARG 37 10.524 -8.285 3.004 256 1HG ARG 37 2HG ARG 37 9.750 -7.261 4.953 257 2HG ARG 37 1HG ARG 37 8.058 -7.582 4.570 258 1HD ARG 37 2HD ARG 37 8.553 -10.044 4.868 259 2HD ARG 37 1HD ARG 37 10.142 -9.585 5.481 260 HE ARG 37 HE ARG 37 8.958 -8.395 7.334 261 1HH1 ARG 37 1HH2 ARG 37 6.215 -8.257 6.259 262 2HH1 ARG 37 2HH2 ARG 37 5.421 -9.585 7.038 263 1HH2 ARG 37 2HH1 ARG 37 8.382 -11.152 7.969 264 2HH2 ARG 37 1HH1 ARG 37 6.653 -11.230 8.011 265 H CYS 38 H CYS 38 11.075 -6.398 1.268 266 HA CYS 38 HA CYS 38 10.544 -7.225 -1.537 267 1HB CYS 38 2HB CYS 38 11.437 -4.873 -0.779 268 2HB CYS 38 1HB CYS 38 12.989 -5.705 -0.676 269 H GLY 39 HN GLY 39 11.440 -9.068 -2.291 270 1HA GLY 39 2HA GLY 39 13.492 -10.453 -0.670 271 2HA GLY 39 1HA GLY 39 12.598 -11.151 -2.021 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -7.566 3.407 2.125 2 2H GLY 1 2H GLY 1 -8.330 4.738 1.396 3 3H GLY 1 3H GLY 1 -8.626 4.376 3.029 4 1HA GLY 1 2HA GLY 1 -7.053 6.291 2.552 5 2HA GLY 1 1HA GLY 1 -6.518 5.075 3.710 6 H PHE 2 H PHE 2 -4.605 6.579 2.475 7 HA PHE 2 HA PHE 2 -2.624 6.440 1.231 8 1HB PHE 2 2HB PHE 2 -3.177 3.460 1.211 9 2HB PHE 2 1HB PHE 2 -1.611 4.253 1.052 10 HD1 PHE 2 HD1 PHE 2 -1.014 5.927 3.047 11 HD2 PHE 2 HD2 PHE 2 -3.810 2.675 3.310 12 HE1 PHE 2 HE1 PHE 2 -0.763 5.909 5.514 13 HE2 PHE 2 HE2 PHE 2 -3.558 2.658 5.777 14 HZ PHE 2 HZ PHE 2 -2.035 4.274 6.878 15 H GLY 3 H GLY 3 -5.212 6.711 -0.219 16 1HA GLY 3 2HA GLY 3 -5.816 6.926 -2.470 17 2HA GLY 3 1HA GLY 3 -4.212 6.344 -2.904 18 H CYS 4 H CYS 4 -6.837 4.770 -1.038 19 HA CYS 4 HA CYS 4 -6.599 2.439 -2.883 20 1HB CYS 4 2HB CYS 4 -7.451 2.746 -0.018 21 2HB CYS 4 1HB CYS 4 -8.028 1.368 -0.953 22 HA PRO 5 HA PRO 5 -7.867 0.573 -2.830 23 1HB PRO 5 2HB PRO 5 -9.227 -0.706 -4.840 24 2HB PRO 5 1HB PRO 5 -9.798 -0.630 -3.166 25 1HG PRO 5 2HG PRO 5 -10.814 0.819 -5.555 26 2HG PRO 5 1HG PRO 5 -11.651 0.419 -4.048 27 1HD PRO 5 2HD PRO 5 -10.545 2.951 -4.758 28 2HD PRO 5 1HD PRO 5 -11.198 2.482 -3.174 29 H ASN 6 H ASN 6 -7.353 3.063 -4.734 30 HA ASN 6 HA ASN 6 -6.603 2.136 -7.308 31 1HB ASN 6 2HB ASN 6 -6.695 4.559 -6.398 32 2HB ASN 6 1HB ASN 6 -5.055 4.258 -5.822 33 1HD2 ASN 6 1HD2 ASN 6 -7.027 4.706 -8.721 34 2HD2 ASN 6 2HD2 ASN 6 -5.725 4.787 -9.808 35 H ASN 7 H ASN 7 -4.858 1.006 -8.054 36 HA ASN 7 HA ASN 7 -3.105 -0.319 -6.135 37 1HB ASN 7 2HB ASN 7 -3.349 -0.369 -9.146 38 2HB ASN 7 1HB ASN 7 -2.041 -1.209 -8.314 39 1HD2 ASN 7 1HD2 ASN 7 -2.668 -2.963 -6.780 40 2HD2 ASN 7 2HD2 ASN 7 -4.171 -3.731 -6.948 41 H TYR 8 H TYR 8 -2.669 2.173 -8.657 42 HA TYR 8 HA TYR 8 0.167 2.414 -8.398 43 1HB TYR 8 2HB TYR 8 -0.836 3.406 -10.322 44 2HB TYR 8 1HB TYR 8 -1.986 4.317 -9.348 45 HD1 TYR 8 HD1 TYR 8 -1.533 6.556 -8.882 46 HD2 TYR 8 HD2 TYR 8 1.721 3.903 -9.791 47 HE1 TYR 8 HE1 TYR 8 0.048 8.464 -8.793 48 HE2 TYR 8 HE2 TYR 8 3.302 5.812 -9.701 49 HH TYR 8 HH TYR 8 2.723 8.694 -10.076 50 H GLN 9 H GLN 9 -2.454 4.367 -6.920 51 HA GLN 9 HA GLN 9 -0.732 5.987 -5.317 52 1HB GLN 9 2HB GLN 9 -3.613 5.173 -4.830 53 2HB GLN 9 1HB GLN 9 -2.773 6.478 -3.994 54 1HG GLN 9 2HG GLN 9 -2.930 6.414 -7.007 55 2HG GLN 9 1HG GLN 9 -4.234 7.106 -6.043 56 1HE2 GLN 9 1HE2 GLN 9 -3.684 9.000 -4.660 57 2HE2 GLN 9 2HE2 GLN 9 -2.330 9.954 -5.030 58 H CYS 10 H CYS 10 -2.415 2.920 -4.590 59 HA CYS 10 HA CYS 10 -1.567 2.730 -1.860 60 1HB CYS 10 2HB CYS 10 -3.355 1.326 -2.992 61 2HB CYS 10 1HB CYS 10 -2.051 0.403 -3.737 62 H HIS 11 H HIS 11 -0.142 1.542 -4.902 63 HA HIS 11 HA HIS 11 2.091 0.193 -3.714 64 1HB HIS 11 2HB HIS 11 1.183 0.152 -6.178 65 2HB HIS 11 1HB HIS 11 2.260 1.530 -6.406 66 HD1 HIS 11 HD1 HIS 11 2.236 -2.108 -6.355 67 HD2 HIS 11 HD2 HIS 11 5.067 0.859 -5.616 68 HE1 HIS 11 HE1 HIS 11 4.503 -3.236 -6.465 69 H ARG 12 H ARG 12 1.635 3.527 -4.881 70 HA ARG 12 HA ARG 12 4.299 4.460 -4.534 71 1HB ARG 12 2HB ARG 12 2.217 5.634 -5.583 72 2HB ARG 12 1HB ARG 12 1.901 6.185 -3.938 73 1HG ARG 12 2HG ARG 12 4.644 6.642 -4.344 74 2HG ARG 12 1HG ARG 12 3.867 7.147 -5.845 75 1HD ARG 12 2HD ARG 12 3.286 9.061 -4.809 76 2HD ARG 12 1HD ARG 12 2.197 8.111 -3.800 77 HE ARG 12 HE ARG 12 3.803 8.205 -2.037 78 1HH1 ARG 12 1HH2 ARG 12 4.272 10.986 -3.108 79 2HH1 ARG 12 2HH2 ARG 12 5.997 11.022 -3.256 80 1HH2 ARG 12 2HH1 ARG 12 6.351 7.571 -3.049 81 2HH2 ARG 12 1HH1 ARG 12 7.180 9.083 -3.222 82 H HIS 13 H HIS 13 1.627 4.136 -2.210 83 HA HIS 13 HA HIS 13 2.937 5.492 -0.031 84 1HB HIS 13 2HB HIS 13 0.538 5.168 0.060 85 2HB HIS 13 1HB HIS 13 0.720 3.421 -0.087 86 HD1 HIS 13 HD1 HIS 13 2.100 6.104 2.268 87 HD2 HIS 13 HD2 HIS 13 0.541 2.241 2.393 88 HE1 HIS 13 HE1 HIS 13 2.105 5.408 4.703 89 H CYS 14 H CYS 14 2.719 2.054 -0.976 90 HA CYS 14 HA CYS 14 4.271 1.074 1.245 91 1HB CYS 14 2HB CYS 14 3.698 -0.089 -1.492 92 2HB CYS 14 1HB CYS 14 4.552 -0.964 -0.222 93 H LYS 15 H LYS 15 5.100 2.348 -1.937 94 HA LYS 15 HA LYS 15 7.833 1.485 -2.006 95 1HB LYS 15 2HB LYS 15 6.326 3.733 -3.344 96 2HB LYS 15 1HB LYS 15 8.063 3.530 -3.577 97 1HG LYS 15 2HG LYS 15 6.083 1.284 -4.022 98 2HG LYS 15 1HG LYS 15 6.579 2.384 -5.308 99 1HD LYS 15 2HD LYS 15 9.013 1.718 -4.398 100 2HD LYS 15 1HD LYS 15 8.146 0.260 -3.918 101 1HE LYS 15 2HE LYS 15 8.453 -0.453 -6.044 102 2HE LYS 15 1HE LYS 15 7.221 0.725 -6.496 103 1HZ LYS 15 1HZ LYS 15 9.061 2.386 -6.657 104 2HZ LYS 15 2HZ LYS 15 9.120 1.147 -7.820 105 3HZ LYS 15 3HZ LYS 15 10.164 1.107 -6.478 106 H SER 16 H SER 16 6.291 4.454 -0.726 107 HA SER 16 HA SER 16 8.742 5.770 -0.025 108 1HB SER 16 2HB SER 16 7.332 7.148 1.484 109 2HB SER 16 1HB SER 16 6.634 7.008 -0.124 110 HG SER 16 HG SER 16 5.821 5.890 2.310 111 H ILE 17 H ILE 17 6.870 3.243 1.545 112 HA ILE 17 HA ILE 17 8.210 3.488 4.124 113 HB ILE 17 HB ILE 17 6.684 1.126 2.975 114 1HG1 ILE 17 2HG1 ILE 17 5.576 3.123 4.938 115 2HG1 ILE 17 1HG1 ILE 17 5.523 3.472 3.211 116 1HG2 ILE 17 1HG2 ILE 17 7.484 1.898 5.799 117 2HG2 ILE 17 2HG2 ILE 17 8.037 0.490 4.892 118 3HG2 ILE 17 3HG2 ILE 17 6.355 0.599 5.411 119 1HD1 ILE 17 1HD1 ILE 17 4.669 0.768 3.599 120 2HD1 ILE 17 2HD1 ILE 17 3.734 2.132 2.982 121 3HD1 ILE 17 3HD1 ILE 17 3.771 1.798 4.714 122 HA PRO 18 HA PRO 18 11.878 1.406 2.733 123 1HB PRO 18 2HB PRO 18 13.114 1.363 5.190 124 2HB PRO 18 1HB PRO 18 13.049 2.792 4.143 125 1HG PRO 18 2HG PRO 18 11.516 2.221 6.636 126 2HG PRO 18 1HG PRO 18 11.973 3.781 5.933 127 1HD PRO 18 2HD PRO 18 9.417 2.581 5.772 128 2HD PRO 18 1HD PRO 18 9.986 3.953 4.799 129 H GLY 19 H GLY 19 12.335 -0.755 2.537 130 1HA GLY 19 2HA GLY 19 12.720 -2.971 3.481 131 2HA GLY 19 1HA GLY 19 11.505 -2.619 4.708 132 H ARG 20 H ARG 20 9.764 -1.416 2.472 133 HA ARG 20 HA ARG 20 8.653 -4.028 1.569 134 1HB ARG 20 2HB ARG 20 7.062 -1.567 1.123 135 2HB ARG 20 1HB ARG 20 6.551 -3.140 1.727 136 1HG ARG 20 2HG ARG 20 8.119 -1.111 3.353 137 2HG ARG 20 1HG ARG 20 6.373 -1.326 3.441 138 1HD ARG 20 2HD ARG 20 6.569 -3.501 4.357 139 2HD ARG 20 1HD ARG 20 8.260 -3.642 3.879 140 HE ARG 20 HE ARG 20 8.838 -2.084 5.683 141 1HH1 ARG 20 2HH1 ARG 20 5.617 -1.486 5.441 142 2HH1 ARG 20 1HH1 ARG 20 5.221 -1.763 7.104 143 1HH2 ARG 20 1HH2 ARG 20 8.309 -3.141 7.891 144 2HH2 ARG 20 2HH2 ARG 20 6.747 -2.700 8.494 145 H CYS 21 H CYS 21 8.379 -4.458 -0.623 146 HA CYS 21 HA CYS 21 9.764 -2.603 -2.479 147 1HB CYS 21 2HB CYS 21 9.555 -5.425 -2.301 148 2HB CYS 21 1HB CYS 21 8.733 -4.952 -3.788 149 H GLY 22 H GLY 22 6.567 -4.094 -2.003 150 1HA GLY 22 2HA GLY 22 5.364 -1.918 -3.590 151 2HA GLY 22 1HA GLY 22 5.109 -3.549 -4.207 152 H GLY 23 H GLY 23 2.785 -2.662 -3.716 153 1HA GLY 23 2HA GLY 23 1.832 -4.059 -1.364 154 2HA GLY 23 1HA GLY 23 1.735 -2.315 -1.152 155 H TYR 24 H TYR 24 -0.593 -3.627 -1.054 156 HA TYR 24 HA TYR 24 -1.996 -2.696 -3.486 157 1HB TYR 24 2HB TYR 24 -3.176 -4.803 -3.816 158 2HB TYR 24 1HB TYR 24 -1.441 -5.109 -3.882 159 HD1 TYR 24 HD1 TYR 24 -4.544 -5.731 -2.074 160 HD2 TYR 24 HD2 TYR 24 -0.268 -6.104 -1.898 161 HE1 TYR 24 HE1 TYR 24 -4.762 -7.356 -0.215 162 HE2 TYR 24 HE2 TYR 24 -0.486 -7.728 -0.039 163 HH TYR 24 HH TYR 24 -2.679 -8.073 1.855 164 H CYS 25 H CYS 25 -4.428 -2.761 -3.115 165 HA CYS 25 HA CYS 25 -5.000 -1.955 -0.321 166 1HB CYS 25 2HB CYS 25 -6.709 -1.803 -2.825 167 2HB CYS 25 1HB CYS 25 -7.157 -1.155 -1.249 168 H GLY 26 H GLY 26 -5.900 -3.397 1.079 169 1HA GLY 26 2HA GLY 26 -8.076 -5.135 0.423 170 2HA GLY 26 1HA GLY 26 -6.582 -6.067 0.390 171 H GLY 27 H GLY 27 -9.029 -5.773 2.319 172 1HA GLY 27 2HA GLY 27 -8.419 -6.799 4.631 173 2HA GLY 27 1HA GLY 27 -7.496 -5.311 4.840 174 H TRP 28 H TRP 28 -8.633 -3.328 5.091 175 HA TRP 28 HA TRP 28 -11.368 -3.655 6.156 176 1HB TRP 28 2HB TRP 28 -9.626 -2.311 7.368 177 2HB TRP 28 1HB TRP 28 -9.644 -1.163 6.032 178 HD1 TRP 28 HD1 TRP 28 -11.987 -2.615 8.726 179 HE1 TRP 28 HE1 TRP 28 -13.827 -0.880 9.218 180 HE3 TRP 28 HE3 TRP 28 -10.874 0.887 5.179 181 HZ2 TRP 28 HZ2 TRP 28 -14.709 1.658 8.242 182 HZ3 TRP 28 HZ3 TRP 28 -12.226 2.951 4.987 183 HH2 TRP 28 HH2 TRP 28 -14.143 3.341 6.509 184 H HIS 29 H HIS 29 -12.656 -3.932 4.311 185 HA HIS 29 HA HIS 29 -13.902 -3.302 2.436 186 1HB HIS 29 2HB HIS 29 -13.152 -0.497 3.323 187 2HB HIS 29 1HB HIS 29 -14.516 -0.940 2.301 188 HD1 HIS 29 HD1 HIS 29 -14.684 0.442 5.196 189 HD2 HIS 29 HD2 HIS 29 -15.348 -3.583 4.352 190 HE1 HIS 29 HE1 HIS 29 -16.090 -0.466 7.098 191 H ARG 30 H ARG 30 -10.980 -3.755 2.165 192 HA ARG 30 HA ARG 30 -9.305 -3.557 0.550 193 1HB ARG 30 2HB ARG 30 -11.422 -4.053 -0.862 194 2HB ARG 30 1HB ARG 30 -11.380 -2.337 -1.268 195 1HG ARG 30 2HG ARG 30 -9.356 -2.517 -2.414 196 2HG ARG 30 1HG ARG 30 -8.872 -3.965 -1.531 197 1HD ARG 30 2HD ARG 30 -9.518 -5.045 -3.430 198 2HD ARG 30 1HD ARG 30 -11.139 -4.856 -2.761 199 HE ARG 30 HE ARG 30 -10.018 -2.790 -4.605 200 1HH1 ARG 30 1HH2 ARG 30 -11.131 -5.013 -6.146 201 2HH1 ARG 30 2HH2 ARG 30 -12.809 -4.607 -6.291 202 1HH2 ARG 30 2HH1 ARG 30 -12.733 -2.283 -3.706 203 2HH2 ARG 30 1HH1 ARG 30 -13.721 -3.055 -4.900 204 H LEU 31 H LEU 31 -9.839 -1.307 2.393 205 HA LEU 31 HA LEU 31 -8.946 0.990 0.712 206 1HB LEU 31 2HB LEU 31 -10.343 0.877 3.392 207 2HB LEU 31 1HB LEU 31 -9.622 2.355 2.757 208 HG LEU 31 HG LEU 31 -11.561 0.743 1.102 209 1HD1 LEU 31 1HD1 LEU 31 -12.251 2.977 3.033 210 2HD1 LEU 31 2HD1 LEU 31 -12.660 1.277 3.261 211 3HD1 LEU 31 3HD1 LEU 31 -13.369 2.182 1.924 212 1HD2 LEU 31 1HD2 LEU 31 -10.182 2.503 0.018 213 2HD2 LEU 31 2HD2 LEU 31 -10.817 3.686 1.162 214 3HD2 LEU 31 3HD2 LEU 31 -11.896 2.914 0.001 215 H ARG 32 H ARG 32 -7.972 -1.209 3.217 216 HA ARG 32 HA ARG 32 -5.799 0.484 4.226 217 1HB ARG 32 2HB ARG 32 -7.020 -1.343 5.557 218 2HB ARG 32 1HB ARG 32 -6.094 -2.505 4.609 219 1HG ARG 32 2HG ARG 32 -4.570 -2.264 6.294 220 2HG ARG 32 1HG ARG 32 -4.101 -0.828 5.385 221 1HD ARG 32 2HD ARG 32 -4.413 -0.025 7.586 222 2HD ARG 32 1HD ARG 32 -5.917 0.398 6.765 223 HE ARG 32 HE ARG 32 -5.859 -2.178 8.233 224 1HH1 ARG 32 1HH2 ARG 32 -8.217 -0.390 7.225 225 2HH1 ARG 32 2HH2 ARG 32 -8.850 0.151 8.742 226 1HH2 ARG 32 2HH1 ARG 32 -6.043 -0.824 10.550 227 2HH2 ARG 32 1HH1 ARG 32 -7.610 -0.092 10.635 228 H CYS 33 H CYS 33 -3.663 0.405 3.544 229 HA CYS 33 HA CYS 33 -3.128 -1.096 1.048 230 1HB CYS 33 2HB CYS 33 -1.927 1.269 2.412 231 2HB CYS 33 1HB CYS 33 -0.861 0.289 1.404 232 H THR 34 H THR 34 -2.307 -3.108 1.268 233 HA THR 34 HA THR 34 -0.632 -3.754 3.638 234 HB THR 34 HB THR 34 -1.904 -5.556 1.551 235 HG1 THR 34 HG1 THR 34 -3.575 -5.206 2.761 236 1HG2 THR 34 1HG2 THR 34 -1.331 -7.067 3.797 237 2HG2 THR 34 2HG2 THR 34 0.080 -6.017 3.661 238 3HG2 THR 34 3HG2 THR 34 -0.384 -7.051 2.309 239 H CYS 35 H CYS 35 1.529 -3.518 3.321 240 HA CYS 35 HA CYS 35 2.638 -3.817 0.576 241 1HB CYS 35 2HB CYS 35 4.219 -2.887 2.963 242 2HB CYS 35 1HB CYS 35 4.464 -2.507 1.259 243 H TYR 36 H TYR 36 4.584 -5.104 0.256 244 HA TYR 36 HA TYR 36 4.932 -7.255 2.307 245 1HB TYR 36 2HB TYR 36 5.650 -8.639 0.187 246 2HB TYR 36 1HB TYR 36 3.943 -8.452 0.571 247 HD1 TYR 36 HD1 TYR 36 2.477 -7.121 -0.813 248 HD2 TYR 36 HD2 TYR 36 6.693 -7.296 -1.628 249 HE1 TYR 36 HE1 TYR 36 2.094 -6.056 -3.018 250 HE2 TYR 36 HE2 TYR 36 6.308 -6.230 -3.834 251 HH TYR 36 HH TYR 36 3.545 -6.123 -5.370 252 H ARG 37 H ARG 37 7.105 -8.274 2.286 253 HA ARG 37 HA ARG 37 9.197 -6.254 2.144 254 1HB ARG 37 2HB ARG 37 9.211 -9.211 2.785 255 2HB ARG 37 1HB ARG 37 10.681 -8.237 2.766 256 1HG ARG 37 2HG ARG 37 8.610 -6.885 4.271 257 2HG ARG 37 1HG ARG 37 8.855 -8.514 4.900 258 1HD ARG 37 2HD ARG 37 10.578 -7.567 6.047 259 2HD ARG 37 1HD ARG 37 11.441 -7.707 4.515 260 HE ARG 37 HE ARG 37 10.391 -5.298 4.136 261 1HH1 ARG 37 2HH1 ARG 37 9.488 -4.958 6.930 262 2HH1 ARG 37 1HH1 ARG 37 10.856 -4.221 7.695 263 1HH2 ARG 37 1HH2 ARG 37 13.069 -5.092 5.162 264 2HH2 ARG 37 2HH2 ARG 37 12.892 -4.294 6.688 265 H CYS 38 H CYS 38 11.208 -6.546 0.911 266 HA CYS 38 HA CYS 38 10.639 -7.586 -1.817 267 1HB CYS 38 2HB CYS 38 11.565 -5.175 -1.191 268 2HB CYS 38 1HB CYS 38 13.109 -6.024 -1.174 269 H GLY 39 HN GLY 39 11.580 -9.452 -2.470 270 1HA GLY 39 2HA GLY 39 13.616 -10.721 -0.745 271 2HA GLY 39 1HA GLY 39 12.760 -11.499 -2.075 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -8.689 4.564 1.623 2 2H GLY 1 2H GLY 1 -8.831 4.418 3.310 3 3H GLY 1 3H GLY 1 -7.706 3.465 2.463 4 1HA GLY 1 2HA GLY 1 -7.574 6.424 2.476 5 2HA GLY 1 1HA GLY 1 -6.776 5.443 3.704 6 H PHE 2 H PHE 2 -5.039 6.872 2.349 7 HA PHE 2 HA PHE 2 -3.135 6.807 0.988 8 1HB PHE 2 2HB PHE 2 -3.592 3.812 0.916 9 2HB PHE 2 1HB PHE 2 -2.066 4.666 0.706 10 HD1 PHE 2 HD1 PHE 2 -4.229 3.062 3.046 11 HD2 PHE 2 HD2 PHE 2 -1.280 6.167 2.696 12 HE1 PHE 2 HE1 PHE 2 -3.841 2.969 5.493 13 HE2 PHE 2 HE2 PHE 2 -0.892 6.074 5.144 14 HZ PHE 2 HZ PHE 2 -2.172 4.474 6.542 15 H GLY 3 H GLY 3 -5.794 7.073 -0.294 16 1HA GLY 3 2HA GLY 3 -6.647 7.192 -2.467 17 2HA GLY 3 1HA GLY 3 -5.007 6.888 -3.035 18 H CYS 4 H CYS 4 -7.323 4.901 -1.155 19 HA CYS 4 HA CYS 4 -6.751 2.639 -3.004 20 1HB CYS 4 2HB CYS 4 -7.729 2.848 -0.173 21 2HB CYS 4 1HB CYS 4 -8.104 1.403 -1.112 22 HA PRO 5 HA PRO 5 -7.751 0.622 -2.984 23 1HB PRO 5 2HB PRO 5 -8.831 -0.827 -5.047 24 2HB PRO 5 1HB PRO 5 -9.480 -0.836 -3.399 25 1HG PRO 5 2HG PRO 5 -10.577 0.471 -5.837 26 2HG PRO 5 1HG PRO 5 -11.420 -0.056 -4.370 27 1HD PRO 5 2HD PRO 5 -10.658 2.612 -5.023 28 2HD PRO 5 1HD PRO 5 -11.296 2.041 -3.465 29 H ASN 6 H ASN 6 -7.563 3.161 -4.919 30 HA ASN 6 HA ASN 6 -6.575 2.369 -7.438 31 1HB ASN 6 2HB ASN 6 -6.979 4.759 -6.439 32 2HB ASN 6 1HB ASN 6 -5.295 4.640 -5.933 33 1HD2 ASN 6 1HD2 ASN 6 -4.180 5.928 -7.444 34 2HD2 ASN 6 2HD2 ASN 6 -4.311 5.756 -9.126 35 H ASN 7 H ASN 7 -4.990 0.943 -7.833 36 HA ASN 7 HA ASN 7 -3.028 0.106 -5.919 37 1HB ASN 7 2HB ASN 7 -3.436 -0.320 -8.862 38 2HB ASN 7 1HB ASN 7 -1.912 -0.814 -8.125 39 1HD2 ASN 7 1HD2 ASN 7 -5.464 -1.295 -7.878 40 2HD2 ASN 7 2HD2 ASN 7 -5.358 -2.810 -7.122 41 H TYR 8 H TYR 8 -3.007 2.658 -8.348 42 HA TYR 8 HA TYR 8 -0.168 3.054 -8.457 43 1HB TYR 8 2HB TYR 8 -2.060 4.045 -9.965 44 2HB TYR 8 1HB TYR 8 -2.146 5.309 -8.740 45 HD1 TYR 8 HD1 TYR 8 -0.257 6.824 -8.349 46 HD2 TYR 8 HD2 TYR 8 -0.086 3.782 -11.377 47 HE1 TYR 8 HE1 TYR 8 1.731 7.925 -9.341 48 HE2 TYR 8 HE2 TYR 8 1.902 4.883 -12.369 49 HH TYR 8 HH TYR 8 3.820 6.828 -10.956 50 H GLN 9 H GLN 9 -2.707 4.501 -6.399 51 HA GLN 9 HA GLN 9 -0.867 6.200 -4.949 52 1HB GLN 9 2HB GLN 9 -3.649 5.215 -4.246 53 2HB GLN 9 1HB GLN 9 -2.769 6.445 -3.342 54 1HG GLN 9 2HG GLN 9 -2.897 6.931 -6.251 55 2HG GLN 9 1HG GLN 9 -4.457 6.984 -5.432 56 1HE2 GLN 9 1HE2 GLN 9 -4.909 9.154 -4.989 57 2HE2 GLN 9 2HE2 GLN 9 -3.795 10.262 -4.347 58 H CYS 10 H CYS 10 -2.254 2.971 -4.380 59 HA CYS 10 HA CYS 10 -1.088 2.630 -1.765 60 1HB CYS 10 2HB CYS 10 -2.965 1.253 -3.053 61 2HB CYS 10 1HB CYS 10 -1.581 0.277 -3.549 62 H HIS 11 H HIS 11 -0.017 1.842 -5.064 63 HA HIS 11 HA HIS 11 2.364 0.427 -4.292 64 1HB HIS 11 2HB HIS 11 1.332 0.323 -6.571 65 2HB HIS 11 1HB HIS 11 1.849 1.985 -6.845 66 HD1 HIS 11 HD1 HIS 11 3.708 -1.032 -5.390 67 HD2 HIS 11 HD2 HIS 11 4.111 1.820 -8.406 68 HE1 HIS 11 HE1 HIS 11 5.948 -1.461 -6.485 69 H ARG 12 H ARG 12 1.782 3.839 -5.222 70 HA ARG 12 HA ARG 12 4.497 4.703 -4.901 71 1HB ARG 12 2HB ARG 12 2.562 5.968 -6.024 72 2HB ARG 12 1HB ARG 12 2.061 6.429 -4.397 73 1HG ARG 12 2HG ARG 12 4.936 6.835 -5.001 74 2HG ARG 12 1HG ARG 12 3.822 7.872 -5.894 75 1HD ARG 12 2HD ARG 12 3.229 9.043 -4.036 76 2HD ARG 12 1HD ARG 12 3.184 7.598 -3.026 77 HE ARG 12 HE ARG 12 5.715 7.787 -2.937 78 1HH1 ARG 12 1HH2 ARG 12 5.976 9.992 -4.957 79 2HH1 ARG 12 2HH2 ARG 12 6.135 11.391 -3.949 80 1HH2 ARG 12 2HH1 ARG 12 4.943 9.799 -1.098 81 2HH2 ARG 12 1HH1 ARG 12 5.549 11.281 -1.756 82 H HIS 13 H HIS 13 1.769 4.441 -2.644 83 HA HIS 13 HA HIS 13 3.042 5.740 -0.418 84 1HB HIS 13 2HB HIS 13 0.613 5.368 -0.477 85 2HB HIS 13 1HB HIS 13 0.865 3.623 -0.479 86 HD1 HIS 13 HD1 HIS 13 2.154 6.493 1.706 87 HD2 HIS 13 HD2 HIS 13 0.528 2.672 2.077 88 HE1 HIS 13 HE1 HIS 13 2.033 6.003 4.188 89 H CYS 14 H CYS 14 2.726 2.284 -1.310 90 HA CYS 14 HA CYS 14 4.278 1.276 0.878 91 1HB CYS 14 2HB CYS 14 3.704 0.161 -1.879 92 2HB CYS 14 1HB CYS 14 4.576 -0.739 -0.638 93 H LYS 15 H LYS 15 5.157 2.500 -2.323 94 HA LYS 15 HA LYS 15 7.878 1.635 -2.368 95 1HB LYS 15 2HB LYS 15 6.377 3.885 -3.697 96 2HB LYS 15 1HB LYS 15 8.125 3.744 -3.886 97 1HG LYS 15 2HG LYS 15 6.674 1.208 -4.271 98 2HG LYS 15 1HG LYS 15 6.273 2.449 -5.457 99 1HD LYS 15 2HD LYS 15 8.559 2.691 -6.120 100 2HD LYS 15 1HD LYS 15 9.127 1.742 -4.744 101 1HE LYS 15 2HE LYS 15 7.623 -0.147 -5.762 102 2HE LYS 15 1HE LYS 15 7.740 0.804 -7.243 103 1HZ LYS 15 1HZ LYS 15 9.487 -0.919 -6.999 104 2HZ LYS 15 2HZ LYS 15 10.086 -0.078 -5.651 105 3HZ LYS 15 3HZ LYS 15 10.102 0.650 -7.186 106 H SER 16 H SER 16 6.373 4.598 -1.046 107 HA SER 16 HA SER 16 8.890 5.800 -0.288 108 1HB SER 16 2HB SER 16 7.490 7.346 1.057 109 2HB SER 16 1HB SER 16 6.898 7.184 -0.592 110 HG SER 16 HG SER 16 5.148 6.242 0.139 111 H ILE 17 H ILE 17 6.867 3.363 1.174 112 HA ILE 17 HA ILE 17 7.990 3.712 3.860 113 HB ILE 17 HB ILE 17 6.327 1.460 2.681 114 1HG1 ILE 17 2HG1 ILE 17 5.385 3.546 4.644 115 2HG1 ILE 17 1HG1 ILE 17 5.392 3.899 2.916 116 1HG2 ILE 17 1HG2 ILE 17 7.586 0.688 4.625 117 2HG2 ILE 17 2HG2 ILE 17 5.900 0.915 5.089 118 3HG2 ILE 17 3HG2 ILE 17 7.107 2.118 5.541 119 1HD1 ILE 17 1HD1 ILE 17 3.643 2.090 4.460 120 2HD1 ILE 17 2HD1 ILE 17 4.241 1.417 2.944 121 3HD1 ILE 17 3HD1 ILE 17 3.335 2.929 2.940 122 HA PRO 18 HA PRO 18 11.593 1.303 2.875 123 1HB PRO 18 2HB PRO 18 12.657 1.381 5.410 124 2HB PRO 18 1HB PRO 18 12.755 2.727 4.261 125 1HG PRO 18 2HG PRO 18 11.030 2.443 6.677 126 2HG PRO 18 1HG PRO 18 11.626 3.914 5.889 127 1HD PRO 18 2HD PRO 18 9.017 2.838 5.645 128 2HD PRO 18 1HD PRO 18 9.722 4.111 4.626 129 H GLY 19 H GLY 19 12.164 -0.882 3.090 130 1HA GLY 19 2HA GLY 19 12.234 -3.015 4.230 131 2HA GLY 19 1HA GLY 19 10.898 -2.486 5.249 132 H ARG 20 H ARG 20 9.704 -1.456 2.488 133 HA ARG 20 HA ARG 20 8.639 -4.123 1.658 134 1HB ARG 20 2HB ARG 20 7.073 -1.544 1.503 135 2HB ARG 20 1HB ARG 20 6.466 -3.193 1.381 136 1HG ARG 20 2HG ARG 20 7.778 -2.118 3.891 137 2HG ARG 20 1HG ARG 20 6.040 -2.032 3.612 138 1HD ARG 20 2HD ARG 20 6.604 -4.671 3.016 139 2HD ARG 20 1HD ARG 20 7.700 -4.340 4.358 140 HE ARG 20 HE ARG 20 4.734 -4.246 4.482 141 1HH1 ARG 20 1HH2 ARG 20 6.091 -2.055 6.106 142 2HH1 ARG 20 2HH2 ARG 20 6.243 -2.823 7.651 143 1HH2 ARG 20 2HH1 ARG 20 5.686 -6.022 6.412 144 2HH2 ARG 20 1HH1 ARG 20 6.011 -5.075 7.824 145 H CYS 21 H CYS 21 8.215 -4.385 -0.586 146 HA CYS 21 HA CYS 21 9.740 -2.514 -2.324 147 1HB CYS 21 2HB CYS 21 9.314 -5.382 -2.283 148 2HB CYS 21 1HB CYS 21 8.861 -4.712 -3.850 149 H GLY 22 H GLY 22 6.612 -4.251 -2.263 150 1HA GLY 22 2HA GLY 22 5.375 -1.941 -3.657 151 2HA GLY 22 1HA GLY 22 5.186 -3.539 -4.379 152 H GLY 23 H GLY 23 2.829 -2.520 -3.785 153 1HA GLY 23 2HA GLY 23 1.861 -4.198 -1.605 154 2HA GLY 23 1HA GLY 23 1.756 -2.479 -1.237 155 H TYR 24 H TYR 24 -0.595 -3.354 -1.163 156 HA TYR 24 HA TYR 24 -1.970 -2.369 -3.542 157 1HB TYR 24 2HB TYR 24 -3.220 -4.430 -4.007 158 2HB TYR 24 1HB TYR 24 -1.492 -4.730 -4.184 159 HD1 TYR 24 HD1 TYR 24 -0.236 -5.950 -2.407 160 HD2 TYR 24 HD2 TYR 24 -4.502 -5.469 -2.251 161 HE1 TYR 24 HE1 TYR 24 -0.375 -7.737 -0.694 162 HE2 TYR 24 HE2 TYR 24 -4.642 -7.257 -0.539 163 HH TYR 24 HH TYR 24 -3.016 -8.241 1.228 164 H CYS 25 H CYS 25 -4.371 -2.328 -3.143 165 HA CYS 25 HA CYS 25 -4.898 -1.696 -0.322 166 1HB CYS 25 2HB CYS 25 -6.722 -1.571 -2.744 167 2HB CYS 25 1HB CYS 25 -7.085 -0.910 -1.148 168 H GLY 26 H GLY 26 -5.701 -3.167 1.091 169 1HA GLY 26 2HA GLY 26 -7.835 -4.979 0.523 170 2HA GLY 26 1HA GLY 26 -6.312 -5.854 0.407 171 H GLY 27 H GLY 27 -8.656 -5.709 2.458 172 1HA GLY 27 2HA GLY 27 -7.903 -6.714 4.725 173 2HA GLY 27 1HA GLY 27 -7.011 -5.203 4.900 174 H TRP 28 H TRP 28 -8.284 -3.198 4.922 175 HA TRP 28 HA TRP 28 -10.869 -3.594 6.310 176 1HB TRP 28 2HB TRP 28 -9.074 -2.096 7.266 177 2HB TRP 28 1HB TRP 28 -9.318 -1.022 5.890 178 HD1 TRP 28 HD1 TRP 28 -11.204 -2.446 8.925 179 HE1 TRP 28 HE1 TRP 28 -13.111 -0.827 9.533 180 HE3 TRP 28 HE3 TRP 28 -10.830 0.856 5.047 181 HZ2 TRP 28 HZ2 TRP 28 -14.319 1.555 8.515 182 HZ3 TRP 28 HZ3 TRP 28 -12.370 2.791 4.893 183 HH2 TRP 28 HH2 TRP 28 -14.113 3.144 6.618 184 H HIS 29 H HIS 29 -12.228 -4.092 4.539 185 HA HIS 29 HA HIS 29 -13.651 -3.640 2.738 186 1HB HIS 29 2HB HIS 29 -13.092 -0.740 3.430 187 2HB HIS 29 1HB HIS 29 -14.498 -1.369 2.579 188 HD1 HIS 29 HD1 HIS 29 -14.448 0.162 5.433 189 HD2 HIS 29 HD2 HIS 29 -14.937 -3.929 4.810 190 HE1 HIS 29 HE1 HIS 29 -15.586 -0.747 7.505 191 H ARG 30 H ARG 30 -10.735 -3.873 2.280 192 HA ARG 30 HA ARG 30 -9.193 -3.622 0.548 193 1HB ARG 30 2HB ARG 30 -11.304 -4.328 -0.730 194 2HB ARG 30 1HB ARG 30 -11.498 -2.621 -1.132 195 1HG ARG 30 2HG ARG 30 -9.644 -2.589 -2.504 196 2HG ARG 30 1HG ARG 30 -8.809 -3.837 -1.582 197 1HD ARG 30 2HD ARG 30 -11.276 -4.436 -3.221 198 2HD ARG 30 1HD ARG 30 -9.655 -4.512 -3.908 199 HE ARG 30 HE ARG 30 -10.828 -6.542 -2.289 200 1HH1 ARG 30 1HH2 ARG 30 -8.067 -6.096 -3.904 201 2HH1 ARG 30 2HH2 ARG 30 -6.982 -6.727 -2.710 202 1HH2 ARG 30 2HH1 ARG 30 -9.368 -6.770 -0.182 203 2HH2 ARG 30 1HH1 ARG 30 -7.724 -7.120 -0.600 204 H LEU 31 H LEU 31 -9.845 -1.329 2.352 205 HA LEU 31 HA LEU 31 -9.097 0.942 0.565 206 1HB LEU 31 2HB LEU 31 -10.444 0.909 3.278 207 2HB LEU 31 1HB LEU 31 -9.898 2.380 2.473 208 HG LEU 31 HG LEU 31 -11.728 0.429 1.078 209 1HD1 LEU 31 1HD1 LEU 31 -12.761 1.113 3.247 210 2HD1 LEU 31 2HD1 LEU 31 -13.639 1.731 1.848 211 3HD1 LEU 31 3HD1 LEU 31 -12.578 2.799 2.766 212 1HD2 LEU 31 1HD2 LEU 31 -11.267 3.418 0.803 213 2HD2 LEU 31 2HD2 LEU 31 -12.312 2.434 -0.221 214 3HD2 LEU 31 3HD2 LEU 31 -10.567 2.184 -0.245 215 H ARG 32 H ARG 32 -7.985 -1.095 3.141 216 HA ARG 32 HA ARG 32 -5.962 0.789 4.120 217 1HB ARG 32 2HB ARG 32 -7.139 -1.223 5.374 218 2HB ARG 32 1HB ARG 32 -5.845 -2.168 4.635 219 1HG ARG 32 2HG ARG 32 -4.157 -0.944 5.751 220 2HG ARG 32 1HG ARG 32 -5.255 0.379 6.143 221 1HD ARG 32 2HD ARG 32 -6.561 -1.270 7.567 222 2HD ARG 32 1HD ARG 32 -5.234 -2.407 7.328 223 HE ARG 32 HE ARG 32 -4.352 0.190 8.337 224 1HH1 ARG 32 2HH1 ARG 32 -2.956 -2.320 9.042 225 2HH1 ARG 32 1HH1 ARG 32 -3.480 -2.611 10.667 226 1HH2 ARG 32 1HH2 ARG 32 -6.187 -0.440 10.462 227 2HH2 ARG 32 2HH2 ARG 32 -5.316 -1.542 11.475 228 H CYS 33 H CYS 33 -3.763 0.755 3.573 229 HA CYS 33 HA CYS 33 -3.100 -0.667 1.068 230 1HB CYS 33 2HB CYS 33 -2.097 1.715 2.493 231 2HB CYS 33 1HB CYS 33 -0.844 0.738 1.727 232 H THR 34 H THR 34 -2.225 -2.653 1.203 233 HA THR 34 HA THR 34 -0.575 -3.344 3.594 234 HB THR 34 HB THR 34 -2.077 -5.109 1.635 235 HG1 THR 34 HG1 THR 34 -3.600 -4.886 3.039 236 1HG2 THR 34 1HG2 THR 34 -0.124 -6.324 2.281 237 2HG2 THR 34 2HG2 THR 34 -1.423 -6.914 3.320 238 3HG2 THR 34 3HG2 THR 34 -0.243 -5.763 3.949 239 H CYS 35 H CYS 35 1.570 -3.159 3.160 240 HA CYS 35 HA CYS 35 2.532 -3.620 0.383 241 1HB CYS 35 2HB CYS 35 4.233 -2.598 2.652 242 2HB CYS 35 1HB CYS 35 4.428 -2.331 0.921 243 H TYR 36 H TYR 36 3.847 -5.340 -0.120 244 HA TYR 36 HA TYR 36 4.297 -7.337 2.016 245 1HB TYR 36 2HB TYR 36 5.237 -8.693 -0.016 246 2HB TYR 36 1HB TYR 36 3.499 -8.464 0.136 247 HD1 TYR 36 HD1 TYR 36 6.556 -7.266 -1.613 248 HD2 TYR 36 HD2 TYR 36 2.261 -7.204 -1.480 249 HE1 TYR 36 HE1 TYR 36 6.500 -6.214 -3.857 250 HE2 TYR 36 HE2 TYR 36 2.207 -6.148 -3.723 251 HH TYR 36 HH TYR 36 4.291 -6.227 -5.842 252 H ARG 37 H ARG 37 6.349 -8.115 2.597 253 HA ARG 37 HA ARG 37 8.482 -6.186 2.578 254 1HB ARG 37 2HB ARG 37 8.401 -9.107 3.363 255 2HB ARG 37 1HB ARG 37 9.819 -8.083 3.586 256 1HG ARG 37 2HG ARG 37 8.768 -6.741 5.188 257 2HG ARG 37 1HG ARG 37 7.151 -7.169 4.629 258 1HD ARG 37 2HD ARG 37 7.226 -8.494 6.510 259 2HD ARG 37 1HD ARG 37 7.968 -9.613 5.366 260 HE ARG 37 HE ARG 37 9.342 -8.219 7.551 261 1HH1 ARG 37 2HH1 ARG 37 9.836 -11.077 6.817 262 2HH1 ARG 37 1HH1 ARG 37 11.368 -10.993 6.014 263 1HH2 ARG 37 1HH2 ARG 37 11.212 -7.556 5.517 264 2HH2 ARG 37 2HH2 ARG 37 12.149 -8.992 5.275 265 H CYS 38 H CYS 38 10.424 -6.167 1.432 266 HA CYS 38 HA CYS 38 10.389 -7.583 -1.159 267 1HB CYS 38 2HB CYS 38 11.062 -5.074 -0.653 268 2HB CYS 38 1HB CYS 38 12.634 -5.791 -0.299 269 H GLY 39 HN GLY 39 11.465 -9.457 -1.463 270 1HA GLY 39 2HA GLY 39 13.343 -10.418 0.606 271 2HA GLY 39 1HA GLY 39 12.692 -11.376 -0.723
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