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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6839 |
1jmp ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 HT1 LYS 1 -7.590 1.423 -0.865 2 2H LYS 1 HT2 LYS 1 -6.296 2.247 -0.096 3 3H LYS 1 HT3 LYS 1 -6.217 0.549 -0.328 4 HA LYS 1 HA LYS 1 -6.247 0.888 -2.703 5 1HB LYS 1 HB2 LYS 1 -6.918 3.537 -1.809 6 2HB LYS 1 HB1 LYS 1 -5.471 3.612 -2.802 7 1HG LYS 1 HG2 LYS 1 -8.137 2.452 -3.580 8 2HG LYS 1 HG1 LYS 1 -7.413 3.946 -4.175 9 1HD LYS 1 HD2 LYS 1 -6.328 1.161 -4.593 10 2HD LYS 1 HD1 LYS 1 -7.170 2.136 -5.797 11 1HE LYS 1 HE2 LYS 1 -5.347 3.359 -6.253 12 2HE LYS 1 HE1 LYS 1 -4.887 3.485 -4.557 13 1HZ LYS 1 HZ1 LYS 1 -3.781 1.846 -6.531 14 2HZ LYS 1 HZ2 LYS 1 -4.502 0.836 -5.381 15 3HZ LYS 1 HZ3 LYS 1 -3.337 1.964 -4.903 16 H SER 2 HN SER 2 -4.322 3.475 -1.235 17 HA SER 2 HA SER 2 -2.089 3.740 -0.937 18 1HB SER 2 HB2 SER 2 -0.944 2.045 0.178 19 2HB SER 2 HB1 SER 2 -2.627 1.644 0.518 20 HG SER 2 HG SER 2 -1.008 -0.027 -0.371 21 H CYS 3 HN CYS 3 -0.069 3.623 -1.979 22 HA CYS 3 HA CYS 3 -0.112 2.298 -4.615 23 1HB CYS 3 HB2 CYS 3 0.183 5.083 -3.965 24 2HB CYS 3 HB1 CYS 3 1.667 4.502 -4.712 25 H CYS 4 HN CYS 4 1.789 1.263 -5.274 26 HA CYS 4 HA CYS 4 4.085 1.416 -3.455 27 1HB CYS 4 HB2 CYS 4 2.358 -0.620 -3.158 28 2HB CYS 4 HB1 CYS 4 3.378 -1.296 -4.424 29 HA PRO 5 HA PRO 5 6.280 1.596 -7.302 30 1HB PRO 5 HB2 PRO 5 8.771 0.979 -6.381 31 2HB PRO 5 HB1 PRO 5 8.023 2.567 -6.180 32 1HG PRO 5 HG2 PRO 5 8.214 0.301 -4.233 33 2HG PRO 5 HG1 PRO 5 8.450 2.037 -3.957 34 1HD PRO 5 HD2 PRO 5 6.160 0.782 -3.295 35 2HD PRO 5 HD1 PRO 5 6.181 2.461 -3.867 36 H ASN 6 HN ASN 6 5.849 -1.236 -5.449 37 HA ASN 6 HA ASN 6 6.300 -2.882 -7.765 38 1HB ASN 6 HB2 ASN 6 8.107 -3.050 -5.361 39 2HB ASN 6 HB1 ASN 6 7.832 -4.442 -6.405 40 1HD2 ASN 6 HD21 ASN 6 9.468 -1.479 -5.997 41 2HD2 ASN 6 HD22 ASN 6 10.333 -1.485 -7.492 42 H THR 7 HN THR 7 4.875 -4.521 -7.767 43 HA THR 7 HA THR 7 2.827 -4.755 -5.952 44 HB THR 7 HB THR 7 2.407 -5.856 -7.940 45 HG1 THR 7 HG1 THR 7 1.828 -7.200 -6.157 46 1HG2 THR 7 HG21 THR 7 4.136 -7.928 -8.385 47 2HG2 THR 7 HG22 THR 7 5.204 -6.642 -7.824 48 3HG2 THR 7 HG23 THR 7 4.154 -6.372 -9.215 49 H THR 8 HN THR 8 6.044 -6.054 -5.745 50 HA THR 8 HA THR 8 5.715 -8.093 -3.892 51 HB THR 8 HB THR 8 8.062 -7.057 -3.066 52 HG1 THR 8 HG1 THR 8 7.607 -5.208 -4.515 53 1HG2 THR 8 HG21 THR 8 7.856 -9.227 -4.127 54 2HG2 THR 8 HG22 THR 8 9.194 -8.313 -4.822 55 3HG2 THR 8 HG23 THR 8 7.672 -8.455 -5.701 56 H GLY 9 HN GLY 9 5.857 -4.604 -3.438 57 1HA GLY 9 HA2 GLY 9 5.703 -4.808 -0.552 58 2HA GLY 9 HA1 GLY 9 5.658 -3.326 -1.501 59 H ARG 10 HN ARG 10 3.597 -3.763 -3.213 60 HA ARG 10 HA ARG 10 1.326 -3.124 -1.742 61 1HB ARG 10 HB2 ARG 10 1.792 -2.876 -4.265 62 2HB ARG 10 HB1 ARG 10 1.134 -4.507 -4.386 63 1HG ARG 10 HG2 ARG 10 -0.928 -3.780 -4.175 64 2HG ARG 10 HG1 ARG 10 -0.520 -2.846 -2.737 65 1HD ARG 10 HD2 ARG 10 -0.353 -0.924 -3.883 66 2HD ARG 10 HD1 ARG 10 0.434 -1.703 -5.263 67 HE ARG 10 HE ARG 10 -2.108 -2.614 -5.324 68 1HH1 ARG 10 HH11 ARG 10 -0.695 0.565 -5.295 69 2HH1 ARG 10 HH12 ARG 10 -1.956 1.277 -6.243 70 1HH2 ARG 10 HH21 ARG 10 -3.774 -1.694 -6.579 71 2HH2 ARG 10 HH22 ARG 10 -3.707 -0.012 -6.981 72 H ASN 11 HN ASN 11 2.744 -6.204 -2.450 73 HA ASN 11 HA ASN 11 0.461 -7.829 -2.057 74 1HB ASN 11 HB2 ASN 11 3.405 -8.225 -2.177 75 2HB ASN 11 HB1 ASN 11 2.470 -9.474 -1.368 76 1HD2 ASN 11 HD21 ASN 11 3.895 -8.917 -4.120 77 2HD2 ASN 11 HD22 ASN 11 2.810 -9.660 -5.240 78 H ILE 12 HN ILE 12 3.083 -6.787 0.117 79 HA ILE 12 HA ILE 12 2.030 -8.125 2.388 80 HB ILE 12 HB ILE 12 3.936 -5.789 2.212 81 1HG1 ILE 12 HG12 ILE 12 5.400 -7.840 3.145 82 2HG1 ILE 12 HG11 ILE 12 4.210 -8.745 2.214 83 1HG2 ILE 12 HG21 ILE 12 4.448 -6.834 4.629 84 2HG2 ILE 12 HG22 ILE 12 2.713 -7.138 4.538 85 3HG2 ILE 12 HG23 ILE 12 3.331 -5.494 4.372 86 1HD1 ILE 12 HD11 ILE 12 6.492 -7.278 1.313 87 2HD1 ILE 12 HD12 ILE 12 5.025 -6.648 0.563 88 3HD1 ILE 12 HD13 ILE 12 5.427 -8.359 0.416 89 H TYR 13 HN TYR 13 1.704 -4.848 1.119 90 HA TYR 13 HA TYR 13 0.213 -3.806 3.265 91 1HB TYR 13 HB2 TYR 13 1.351 -2.682 1.162 92 2HB TYR 13 HB1 TYR 13 -0.250 -2.881 0.467 93 HD1 TYR 13 HD1 TYR 13 1.790 -1.039 2.831 94 HD2 TYR 13 HD2 TYR 13 -2.187 -1.699 1.474 95 HE1 TYR 13 HE1 TYR 13 1.074 1.031 3.945 96 HE2 TYR 13 HE2 TYR 13 -2.916 0.370 2.585 97 HH TYR 13 HH TYR 13 -0.874 2.101 4.769 98 H ASN 14 HN ASN 14 -0.766 -5.275 0.194 99 HA ASN 14 HA ASN 14 -3.538 -5.053 0.578 100 1HB ASN 14 HB2 ASN 14 -1.744 -6.626 -1.210 101 2HB ASN 14 HB1 ASN 14 -3.427 -7.110 -1.089 102 1HD2 ASN 14 HD21 ASN 14 -1.414 -4.244 -1.597 103 2HD2 ASN 14 HD22 ASN 14 -2.471 -3.490 -2.738 104 H THR 15 HN THR 15 -1.360 -7.874 1.013 105 HA THR 15 HA THR 15 -3.358 -9.558 2.071 106 HB THR 15 HB THR 15 -1.198 -10.379 1.231 107 HG1 THR 15 HG1 THR 15 -1.701 -12.012 2.417 108 1HG2 THR 15 HG21 THR 15 0.830 -10.052 2.191 109 2HG2 THR 15 HG22 THR 15 0.150 -9.776 3.795 110 3HG2 THR 15 HG23 THR 15 0.079 -8.504 2.577 111 H CYS 16 HN CYS 16 -1.077 -7.350 3.610 112 HA CYS 16 HA CYS 16 -1.490 -7.922 6.274 113 1HB CYS 16 HB2 CYS 16 0.173 -6.349 5.835 114 2HB CYS 16 HB1 CYS 16 -0.853 -5.420 4.754 115 H ARG 17 HN ARG 17 -3.249 -5.545 4.276 116 HA ARG 17 HA ARG 17 -5.183 -4.897 6.208 117 1HB ARG 17 HB2 ARG 17 -4.787 -4.458 3.340 118 2HB ARG 17 HB1 ARG 17 -6.482 -4.586 3.789 119 1HG ARG 17 HG2 ARG 17 -5.584 -2.909 5.709 120 2HG ARG 17 HG1 ARG 17 -4.526 -2.475 4.365 121 1HD ARG 17 HD2 ARG 17 -6.444 -1.068 4.247 122 2HD ARG 17 HD1 ARG 17 -6.570 -2.246 2.941 123 HE ARG 17 HE ARG 17 -8.481 -3.035 3.903 124 1HH1 ARG 17 HH11 ARG 17 -6.702 -1.232 6.304 125 2HH1 ARG 17 HH12 ARG 17 -7.956 -1.336 7.493 126 1HH2 ARG 17 HH21 ARG 17 -10.132 -3.173 5.466 127 2HH2 ARG 17 HH22 ARG 17 -9.904 -2.438 7.018 128 H LEU 18 HN LEU 18 -5.034 -7.415 3.742 129 HA LEU 18 HA LEU 18 -7.672 -8.365 4.030 130 1HB LEU 18 HB2 LEU 18 -5.190 -9.249 2.756 131 2HB LEU 18 HB1 LEU 18 -6.202 -10.574 3.294 132 HG LEU 18 HG LEU 18 -7.004 -8.369 1.396 133 1HD1 LEU 18 HD11 LEU 18 -5.517 -10.037 0.413 134 2HD1 LEU 18 HD12 LEU 18 -7.148 -10.164 -0.247 135 3HD1 LEU 18 HD13 LEU 18 -6.592 -11.323 0.960 136 1HD2 LEU 18 HD21 LEU 18 -8.967 -8.861 2.557 137 2HD2 LEU 18 HD22 LEU 18 -8.568 -10.573 2.695 138 3HD2 LEU 18 HD23 LEU 18 -9.046 -9.901 1.135 139 H GLY 19 HN GLY 19 -4.982 -8.570 6.109 140 1HA GLY 19 HA2 GLY 19 -6.186 -10.839 7.540 141 2HA GLY 19 HA1 GLY 19 -4.501 -10.361 7.663 142 H GLY 20 HN GLY 20 -6.802 -7.806 7.615 143 1HA GLY 20 HA2 GLY 20 -7.608 -6.413 9.257 144 2HA GLY 20 HA1 GLY 20 -7.362 -7.723 10.400 145 H GLY 21 HN GLY 21 -5.339 -5.552 8.431 146 1HA GLY 21 HA2 GLY 21 -3.855 -4.859 10.869 147 2HA GLY 21 HA1 GLY 21 -2.985 -5.371 9.428 148 H SER 22 HN SER 22 -3.724 -2.755 11.118 149 HA SER 22 HA SER 22 -4.845 -0.816 9.601 150 1HB SER 22 HB2 SER 22 -2.323 0.115 10.774 151 2HB SER 22 HB1 SER 22 -3.979 0.625 11.102 152 HG SER 22 HG SER 22 -2.517 -1.501 12.235 153 H ARG 23 HN ARG 23 -4.041 0.816 8.175 154 HA ARG 23 HA ARG 23 -2.581 -0.229 6.012 155 1HB ARG 23 HB2 ARG 23 -4.018 2.192 6.646 156 2HB ARG 23 HB1 ARG 23 -2.540 2.559 5.772 157 1HG ARG 23 HG2 ARG 23 -3.606 2.076 3.893 158 2HG ARG 23 HG1 ARG 23 -3.678 0.394 4.423 159 1HD ARG 23 HD2 ARG 23 -5.884 1.411 3.787 160 2HD ARG 23 HD1 ARG 23 -5.819 0.708 5.403 161 HE ARG 23 HE ARG 23 -6.171 2.789 6.285 162 1HH1 ARG 23 HH11 ARG 23 -5.229 3.129 2.942 163 2HH1 ARG 23 HH12 ARG 23 -5.553 4.829 2.894 164 1HH2 ARG 23 HH21 ARG 23 -6.598 5.025 6.224 165 2HH2 ARG 23 HH22 ARG 23 -6.329 5.906 4.757 166 H GLU 24 HN GLU 24 -1.680 1.762 8.723 167 HA GLU 24 HA GLU 24 0.879 2.509 7.739 168 1HB GLU 24 HB2 GLU 24 0.321 2.364 10.669 169 2HB GLU 24 HB1 GLU 24 1.177 3.597 9.753 170 1HG GLU 24 HG2 GLU 24 -1.129 4.108 8.719 171 2HG GLU 24 HG1 GLU 24 -1.768 3.204 10.091 172 H ARG 25 HN ARG 25 -0.263 -0.136 9.801 173 HA ARG 25 HA ARG 25 2.191 -1.106 10.669 174 1HB ARG 25 HB2 ARG 25 0.030 -1.937 11.495 175 2HB ARG 25 HB1 ARG 25 -0.275 -2.697 9.940 176 1HG ARG 25 HG2 ARG 25 1.819 -4.047 10.320 177 2HG ARG 25 HG1 ARG 25 1.814 -3.425 11.971 178 1HD ARG 25 HD2 ARG 25 -0.196 -4.505 12.494 179 2HD ARG 25 HD1 ARG 25 -0.599 -4.764 10.797 180 HE ARG 25 HE ARG 25 0.656 -6.678 10.826 181 1HH1 ARG 25 HH11 ARG 25 1.440 -4.771 13.642 182 2HH1 ARG 25 HH12 ARG 25 2.408 -6.011 14.367 183 1HH2 ARG 25 HH21 ARG 25 1.928 -8.310 11.778 184 2HH2 ARG 25 HH22 ARG 25 2.685 -8.020 13.309 185 H CYS 26 HN CYS 26 0.425 -1.857 7.696 186 HA CYS 26 HA CYS 26 2.395 -3.670 6.717 187 1HB CYS 26 HB2 CYS 26 0.831 -2.425 4.604 188 2HB CYS 26 HB1 CYS 26 0.922 -4.111 5.086 189 H ALA 27 HN ALA 27 1.732 -0.240 6.261 190 HA ALA 27 HA ALA 27 3.468 0.341 4.189 191 1HB ALA 27 HB1 ALA 27 1.833 1.840 5.645 192 2HB ALA 27 HB2 ALA 27 3.160 2.541 4.719 193 3HB ALA 27 HB3 ALA 27 3.343 2.264 6.451 194 H SER 28 HN SER 28 4.169 0.224 7.675 195 HA SER 28 HA SER 28 6.935 0.797 7.365 196 1HB SER 28 HB2 SER 28 5.599 1.127 9.482 197 2HB SER 28 HB1 SER 28 5.626 -0.624 9.691 198 HG SER 28 HG SER 28 7.495 -0.334 10.584 199 H LEU 29 HN LEU 29 5.001 -2.038 7.094 200 HA LEU 29 HA LEU 29 7.015 -3.985 7.556 201 1HB LEU 29 HB2 LEU 29 4.313 -4.047 7.268 202 2HB LEU 29 HB1 LEU 29 4.820 -4.667 5.710 203 HG LEU 29 HG LEU 29 4.348 -6.431 7.398 204 1HD1 LEU 29 HD11 LEU 29 5.896 -7.799 6.494 205 2HD1 LEU 29 HD12 LEU 29 7.237 -6.720 6.881 206 3HD1 LEU 29 HD13 LEU 29 6.221 -6.396 5.476 207 1HD2 LEU 29 HD21 LEU 29 5.654 -6.741 9.301 208 2HD2 LEU 29 HD22 LEU 29 5.360 -5.002 9.278 209 3HD2 LEU 29 HD23 LEU 29 6.911 -5.641 8.735 210 H SER 30 HN SER 30 5.491 -2.887 4.515 211 HA SER 30 HA SER 30 7.722 -4.022 3.023 212 1HB SER 30 HB2 SER 30 4.936 -3.286 2.409 213 2HB SER 30 HB1 SER 30 6.094 -2.949 1.121 214 HG SER 30 HG SER 30 6.799 -5.172 1.405 215 H GLY 31 HN GLY 31 5.896 -1.024 2.462 216 1HA GLY 31 HA2 GLY 31 7.452 0.996 3.059 217 2HA GLY 31 HA1 GLY 31 8.421 0.286 1.781 218 H CYS 32 HN CYS 32 4.991 0.049 1.432 219 HA CYS 32 HA CYS 32 5.024 1.554 -0.976 220 1HB CYS 32 HB2 CYS 32 2.610 0.703 0.633 221 2HB CYS 32 HB1 CYS 32 2.671 1.071 -1.081 222 H LYS 33 HN LYS 33 3.421 3.361 -1.339 223 HA LYS 33 HA LYS 33 3.695 5.296 0.847 224 1HB LYS 33 HB2 LYS 33 4.616 5.759 -1.494 225 2HB LYS 33 HB1 LYS 33 2.940 5.937 -1.996 226 1HG LYS 33 HG2 LYS 33 4.050 8.083 -1.491 227 2HG LYS 33 HG1 LYS 33 2.625 7.782 -0.496 228 1HD LYS 33 HD2 LYS 33 5.056 6.753 0.717 229 2HD LYS 33 HD1 LYS 33 5.148 8.487 0.405 230 1HE LYS 33 HE2 LYS 33 2.577 7.891 1.481 231 2HE LYS 33 HE1 LYS 33 3.801 7.139 2.503 232 1HZ LYS 33 HZ1 LYS 33 3.858 9.987 1.670 233 2HZ LYS 33 HZ2 LYS 33 4.872 9.235 2.796 234 3HZ LYS 33 HZ3 LYS 33 3.230 9.443 3.145 235 H ILE 34 HN ILE 34 1.984 6.037 1.910 236 HA ILE 34 HA ILE 34 -0.648 5.052 1.179 237 HB ILE 34 HB ILE 34 0.178 4.941 3.529 238 1HG1 ILE 34 HG12 ILE 34 -2.107 6.642 3.999 239 2HG1 ILE 34 HG11 ILE 34 -2.370 5.648 2.569 240 1HG2 ILE 34 HG21 ILE 34 -0.349 7.880 3.747 241 2HG2 ILE 34 HG22 ILE 34 1.253 7.271 3.329 242 3HG2 ILE 34 HG23 ILE 34 0.508 6.815 4.861 243 1HD1 ILE 34 HD11 ILE 34 -2.800 4.892 5.168 244 2HD1 ILE 34 HD12 ILE 34 -1.249 4.146 4.784 245 3HD1 ILE 34 HD13 ILE 34 -2.661 3.812 3.782 246 H ILE 35 HN ILE 35 -2.038 6.207 0.015 247 HA ILE 35 HA ILE 35 -1.571 9.083 -0.288 248 HB ILE 35 HB ILE 35 -3.728 8.036 -1.935 249 1HG1 ILE 35 HG12 ILE 35 -1.782 6.913 -3.430 250 2HG1 ILE 35 HG11 ILE 35 -1.185 6.503 -1.827 251 1HG2 ILE 35 HG21 ILE 35 -2.815 10.102 -2.518 252 2HG2 ILE 35 HG22 ILE 35 -2.157 8.993 -3.719 253 3HG2 ILE 35 HG23 ILE 35 -1.158 9.519 -2.365 254 1HD1 ILE 35 HD11 ILE 35 -2.607 4.763 -2.870 255 2HD1 ILE 35 HD12 ILE 35 -3.961 5.889 -2.802 256 3HD1 ILE 35 HD13 ILE 35 -3.203 5.331 -1.311 257 H SER 36 HN SER 36 -4.145 9.818 -1.133 258 HA SER 36 HA SER 36 -5.983 9.220 1.027 259 1HB SER 36 HB2 SER 36 -6.292 11.620 1.596 260 2HB SER 36 HB1 SER 36 -4.675 11.040 1.995 261 HG SER 36 HG SER 36 -3.838 12.197 0.377 262 H ALA 37 HN ALA 37 -8.139 9.832 0.546 263 HA ALA 37 HA ALA 37 -9.932 10.196 -0.809 264 1HB ALA 37 HB1 ALA 37 -8.597 12.419 -1.081 265 2HB ALA 37 HB2 ALA 37 -9.934 12.056 -2.172 266 3HB ALA 37 HB3 ALA 37 -8.271 11.803 -2.701 267 H SER 38 HN SER 38 -7.716 8.137 -1.400 268 HA SER 38 HA SER 38 -7.668 6.304 -2.754 269 1HB SER 38 HB2 SER 38 -10.127 7.419 -3.480 270 2HB SER 38 HB1 SER 38 -9.272 7.186 -5.004 271 HG SER 38 HG SER 38 -9.492 5.172 -3.023 272 H THR 39 HN THR 39 -7.845 9.318 -4.660 273 HA THR 39 HA THR 39 -6.379 8.678 -6.837 274 HB THR 39 HB THR 39 -7.157 10.861 -6.829 275 HG1 THR 39 HG1 THR 39 -5.315 11.319 -7.740 276 1HG2 THR 39 HG21 THR 39 -6.497 10.849 -4.051 277 2HG2 THR 39 HG22 THR 39 -7.550 11.943 -4.946 278 3HG2 THR 39 HG23 THR 39 -5.825 12.286 -4.821 279 H CYS 40 HN CYS 40 -4.414 7.947 -7.263 280 HA CYS 40 HA CYS 40 -2.501 7.666 -5.107 281 1HB CYS 40 HB2 CYS 40 -3.048 6.334 -7.620 282 2HB CYS 40 HB1 CYS 40 -1.334 6.701 -7.458 283 HA PRO 41 HA PRO 41 0.230 10.968 -6.047 284 1HB PRO 41 HB2 PRO 41 2.680 9.740 -5.837 285 2HB PRO 41 HB1 PRO 41 1.694 10.208 -4.455 286 1HG PRO 41 HG2 PRO 41 1.965 7.536 -5.774 287 2HG PRO 41 HG1 PRO 41 1.928 7.935 -4.046 288 1HD PRO 41 HD2 PRO 41 -0.230 6.972 -5.309 289 2HD PRO 41 HD1 PRO 41 -0.370 8.187 -4.022 290 H SER 42 HN SER 42 2.934 10.243 -7.306 291 HA SER 42 HA SER 42 2.604 11.045 -9.849 292 1HB SER 42 HB2 SER 42 4.593 9.258 -8.549 293 2HB SER 42 HB1 SER 42 4.599 9.316 -10.311 294 HG SER 42 HG SER 42 4.701 11.606 -8.639 295 H ASP 43 HN ASP 43 3.209 7.564 -9.387 296 HA ASP 43 HA ASP 43 0.889 6.536 -10.452 297 1HB ASP 43 HB2 ASP 43 2.589 7.755 -12.488 298 2HB ASP 43 HB1 ASP 43 2.240 6.064 -12.830 299 H TYR 44 HN TYR 44 2.466 5.571 -8.534 300 HA TYR 44 HA TYR 44 3.673 3.204 -9.768 301 1HB TYR 44 HB2 TYR 44 5.303 3.145 -7.933 302 2HB TYR 44 HB1 TYR 44 5.453 4.605 -8.895 303 HD1 TYR 44 HD1 TYR 44 5.033 3.257 -5.613 304 HD2 TYR 44 HD2 TYR 44 4.386 6.738 -7.972 305 HE1 TYR 44 HE1 TYR 44 4.886 4.609 -3.566 306 HE2 TYR 44 HE2 TYR 44 4.236 8.100 -5.930 307 HH TYR 44 HH TYR 44 3.553 7.345 -3.258 308 HA PRO 45 HA PRO 45 0.469 1.950 -6.618 309 1HB PRO 45 HB2 PRO 45 -1.431 0.984 -8.218 310 2HB PRO 45 HB1 PRO 45 -1.281 2.724 -7.939 311 1HG PRO 45 HG2 PRO 45 -0.368 1.095 -10.278 312 2HG PRO 45 HG1 PRO 45 -1.159 2.681 -10.260 313 1HD PRO 45 HD2 PRO 45 1.560 2.292 -10.533 314 2HD PRO 45 HD1 PRO 45 0.811 3.787 -9.939 315 H LYS 46 HN LYS 46 2.669 0.556 -8.528 316 HA LYS 46 HA LYS 46 2.452 -1.988 -7.313 317 1HB LYS 46 HB2 LYS 46 0.842 -1.725 -9.555 318 2HB LYS 46 HB1 LYS 46 2.282 -2.522 -10.170 319 1HG LYS 46 HG2 LYS 46 1.254 -4.397 -9.521 320 2HG LYS 46 HG1 LYS 46 1.821 -3.950 -7.911 321 1HD LYS 46 HD2 LYS 46 -0.261 -3.060 -7.303 322 2HD LYS 46 HD1 LYS 46 -0.810 -2.973 -8.978 323 1HE LYS 46 HE2 LYS 46 -1.222 -5.250 -9.095 324 2HE LYS 46 HE1 LYS 46 -0.140 -5.617 -7.753 325 1HZ LYS 46 HZ1 LYS 46 -1.702 -4.880 -6.203 326 2HZ LYS 46 HZ2 LYS 46 -2.619 -5.760 -7.319 327 3HZ LYS 46 HZ3 LYS 46 -2.630 -4.070 -7.364 Start of MODEL 2 1 1H LYS 1 HT1 LYS 1 -8.032 3.568 -0.130 2 2H LYS 1 HT2 LYS 1 -6.519 4.358 -0.018 3 3H LYS 1 HT3 LYS 1 -6.853 3.006 0.970 4 HA LYS 1 HA LYS 1 -6.942 1.589 -0.923 5 1HB LYS 1 HB2 LYS 1 -7.430 4.060 -2.169 6 2HB LYS 1 HB1 LYS 1 -5.937 3.449 -2.868 7 1HG LYS 1 HG2 LYS 1 -8.014 1.425 -2.636 8 2HG LYS 1 HG1 LYS 1 -8.469 2.791 -3.658 9 1HD LYS 1 HD2 LYS 1 -7.414 1.102 -5.004 10 2HD LYS 1 HD1 LYS 1 -6.355 2.511 -4.898 11 1HE LYS 1 HE2 LYS 1 -4.956 1.430 -3.305 12 2HE LYS 1 HE1 LYS 1 -6.102 0.094 -3.128 13 1HZ LYS 1 HZ1 LYS 1 -3.998 0.166 -4.842 14 2HZ LYS 1 HZ2 LYS 1 -5.317 0.525 -5.841 15 3HZ LYS 1 HZ3 LYS 1 -5.316 -0.893 -4.933 16 H SER 2 HN SER 2 -4.680 4.342 -1.198 17 HA SER 2 HA SER 2 -2.438 4.501 -0.711 18 1HB SER 2 HB2 SER 2 -3.138 2.144 0.686 19 2HB SER 2 HB1 SER 2 -1.589 1.881 -0.103 20 HG SER 2 HG SER 2 -0.694 3.316 1.174 21 H CYS 3 HN CYS 3 -0.251 3.443 -1.424 22 HA CYS 3 HA CYS 3 -0.364 1.867 -3.772 23 1HB CYS 3 HB2 CYS 3 0.317 4.765 -4.169 24 2HB CYS 3 HB1 CYS 3 0.384 3.518 -5.389 25 H CYS 4 HN CYS 4 1.436 0.715 -3.865 26 HA CYS 4 HA CYS 4 3.943 1.662 -2.640 27 1HB CYS 4 HB2 CYS 4 3.535 -1.158 -3.484 28 2HB CYS 4 HB1 CYS 4 4.417 -0.535 -2.102 29 HA PRO 5 HA PRO 5 5.752 1.948 -6.703 30 1HB PRO 5 HB2 PRO 5 8.389 1.727 -6.023 31 2HB PRO 5 HB1 PRO 5 7.448 3.205 -5.890 32 1HG PRO 5 HG2 PRO 5 8.208 1.249 -3.781 33 2HG PRO 5 HG1 PRO 5 8.056 3.012 -3.679 34 1HD PRO 5 HD2 PRO 5 6.184 1.298 -2.712 35 2HD PRO 5 HD1 PRO 5 5.805 2.922 -3.305 36 H ASN 6 HN ASN 6 5.255 -0.885 -5.477 37 HA ASN 6 HA ASN 6 6.188 -2.260 -7.758 38 1HB ASN 6 HB2 ASN 6 7.894 -2.509 -5.288 39 2HB ASN 6 HB1 ASN 6 7.738 -3.865 -6.400 40 1HD2 ASN 6 HD21 ASN 6 9.439 -1.083 -5.681 41 2HD2 ASN 6 HD22 ASN 6 10.289 -0.898 -7.173 42 H THR 7 HN THR 7 5.155 -4.239 -7.951 43 HA THR 7 HA THR 7 2.927 -4.723 -6.397 44 HB THR 7 HB THR 7 3.075 -5.851 -8.481 45 HG1 THR 7 HG1 THR 7 1.992 -7.102 -7.004 46 1HG2 THR 7 HG21 THR 7 5.312 -7.609 -7.586 47 2HG2 THR 7 HG22 THR 7 5.654 -6.052 -8.338 48 3HG2 THR 7 HG23 THR 7 4.730 -7.270 -9.215 49 H THR 8 HN THR 8 6.246 -5.669 -5.938 50 HA THR 8 HA THR 8 6.050 -7.620 -3.991 51 HB THR 8 HB THR 8 8.259 -6.785 -3.189 52 HG1 THR 8 HG1 THR 8 8.044 -4.590 -3.530 53 1HG2 THR 8 HG21 THR 8 8.107 -8.297 -5.148 54 2HG2 THR 8 HG22 THR 8 9.504 -7.224 -5.186 55 3HG2 THR 8 HG23 THR 8 8.099 -6.874 -6.189 56 H GLY 9 HN GLY 9 5.698 -4.143 -3.678 57 1HA GLY 9 HA2 GLY 9 5.434 -4.353 -0.779 58 2HA GLY 9 HA1 GLY 9 5.411 -2.861 -1.719 59 H ARG 10 HN ARG 10 3.544 -3.928 -3.667 60 HA ARG 10 HA ARG 10 1.097 -3.072 -2.630 61 1HB ARG 10 HB2 ARG 10 1.959 -3.695 -5.125 62 2HB ARG 10 HB1 ARG 10 1.006 -5.127 -4.783 63 1HG ARG 10 HG2 ARG 10 -0.050 -2.395 -4.531 64 2HG ARG 10 HG1 ARG 10 -0.064 -3.299 -6.031 65 1HD ARG 10 HD2 ARG 10 -1.491 -4.944 -5.163 66 2HD ARG 10 HD1 ARG 10 -1.169 -4.461 -3.502 67 HE ARG 10 HE ARG 10 -2.352 -2.656 -5.383 68 1HH1 ARG 10 HH11 ARG 10 -2.956 -4.452 -2.413 69 2HH1 ARG 10 HH12 ARG 10 -4.155 -3.373 -1.855 70 1HH2 ARG 10 HH21 ARG 10 -4.024 -1.341 -4.660 71 2HH2 ARG 10 HH22 ARG 10 -4.777 -1.603 -3.127 72 H ASN 11 HN ASN 11 2.498 -6.264 -3.006 73 HA ASN 11 HA ASN 11 0.344 -7.822 -2.158 74 1HB ASN 11 HB2 ASN 11 3.245 -8.457 -1.689 75 2HB ASN 11 HB1 ASN 11 1.918 -9.575 -1.979 76 1HD2 ASN 11 HD21 ASN 11 4.566 -8.875 -3.359 77 2HD2 ASN 11 HD22 ASN 11 4.119 -8.722 -5.021 78 H ILE 12 HN ILE 12 3.121 -6.673 -0.227 79 HA ILE 12 HA ILE 12 2.254 -7.769 2.181 80 HB ILE 12 HB ILE 12 4.101 -5.536 1.473 81 1HG1 ILE 12 HG12 ILE 12 5.205 -7.288 3.374 82 2HG1 ILE 12 HG11 ILE 12 4.254 -8.302 2.295 83 1HG2 ILE 12 HG21 ILE 12 4.540 -5.293 3.986 84 2HG2 ILE 12 HG22 ILE 12 2.947 -6.023 4.194 85 3HG2 ILE 12 HG23 ILE 12 3.109 -4.503 3.319 86 1HD1 ILE 12 HD11 ILE 12 6.702 -6.745 1.772 87 2HD1 ILE 12 HD12 ILE 12 5.515 -6.838 0.474 88 3HD1 ILE 12 HD13 ILE 12 6.195 -8.315 1.154 89 H TYR 13 HN TYR 13 1.617 -4.523 0.852 90 HA TYR 13 HA TYR 13 0.139 -3.625 3.062 91 1HB TYR 13 HB2 TYR 13 1.102 -2.561 0.734 92 2HB TYR 13 HB1 TYR 13 -0.613 -2.634 0.418 93 HD1 TYR 13 HD1 TYR 13 1.935 -1.252 2.712 94 HD2 TYR 13 HD2 TYR 13 -2.103 -1.086 1.408 95 HE1 TYR 13 HE1 TYR 13 1.626 0.843 3.964 96 HE2 TYR 13 HE2 TYR 13 -2.422 1.005 2.663 97 HH TYR 13 HH TYR 13 -0.017 2.248 4.842 98 H ASN 14 HN ASN 14 -0.653 -5.480 0.191 99 HA ASN 14 HA ASN 14 -3.459 -5.359 0.376 100 1HB ASN 14 HB2 ASN 14 -1.482 -7.166 -1.000 101 2HB ASN 14 HB1 ASN 14 -3.205 -7.556 -0.999 102 1HD2 ASN 14 HD21 ASN 14 -1.560 -4.472 -1.076 103 2HD2 ASN 14 HD22 ASN 14 -2.282 -3.904 -2.485 104 H THR 15 HN THR 15 -1.286 -8.080 1.004 105 HA THR 15 HA THR 15 -3.235 -9.590 2.297 106 HB THR 15 HB THR 15 -1.417 -10.719 1.393 107 HG1 THR 15 HG1 THR 15 -1.288 -12.032 2.992 108 1HG2 THR 15 HG21 THR 15 0.804 -10.039 3.002 109 2HG2 THR 15 HG22 THR 15 0.138 -8.546 2.342 110 3HG2 THR 15 HG23 THR 15 0.611 -9.856 1.258 111 H CYS 16 HN CYS 16 -0.960 -7.222 3.472 112 HA CYS 16 HA CYS 16 -1.173 -7.719 6.196 113 1HB CYS 16 HB2 CYS 16 0.382 -6.106 5.600 114 2HB CYS 16 HB1 CYS 16 -0.737 -5.266 4.543 115 H ARG 17 HN ARG 17 -3.039 -5.360 4.255 116 HA ARG 17 HA ARG 17 -4.963 -4.855 6.247 117 1HB ARG 17 HB2 ARG 17 -4.530 -4.157 3.475 118 2HB ARG 17 HB1 ARG 17 -6.238 -4.425 3.806 119 1HG ARG 17 HG2 ARG 17 -5.230 -2.889 5.940 120 2HG ARG 17 HG1 ARG 17 -4.584 -2.191 4.459 121 1HD ARG 17 HD2 ARG 17 -6.564 -1.063 4.677 122 2HD ARG 17 HD1 ARG 17 -7.049 -2.376 3.618 123 HE ARG 17 HE ARG 17 -7.706 -3.345 6.003 124 1HH1 ARG 17 HH11 ARG 17 -8.269 -0.282 4.437 125 2HH1 ARG 17 HH12 ARG 17 -9.560 0.171 5.483 126 1HH2 ARG 17 HH21 ARG 17 -9.447 -2.810 7.367 127 2HH2 ARG 17 HH22 ARG 17 -10.257 -1.300 7.160 128 H LEU 18 HN LEU 18 -4.786 -7.244 3.670 129 HA LEU 18 HA LEU 18 -7.416 -8.196 3.827 130 1HB LEU 18 HB2 LEU 18 -6.741 -9.687 2.275 131 2HB LEU 18 HB1 LEU 18 -5.241 -8.802 2.280 132 HG LEU 18 HG LEU 18 -4.395 -10.441 3.989 133 1HD1 LEU 18 HD11 LEU 18 -5.836 -11.857 4.915 134 2HD1 LEU 18 HD12 LEU 18 -5.980 -12.666 3.357 135 3HD1 LEU 18 HD13 LEU 18 -7.107 -11.382 3.792 136 1HD2 LEU 18 HD21 LEU 18 -4.891 -12.227 1.799 137 2HD2 LEU 18 HD22 LEU 18 -3.400 -11.427 2.277 138 3HD2 LEU 18 HD23 LEU 18 -4.542 -10.603 1.212 139 H GLY 19 HN GLY 19 -4.727 -8.495 5.939 140 1HA GLY 19 HA2 GLY 19 -6.108 -10.587 7.471 141 2HA GLY 19 HA1 GLY 19 -4.393 -10.211 7.594 142 H GLY 20 HN GLY 20 -6.898 -7.757 7.457 143 1HA GLY 20 HA2 GLY 20 -7.589 -6.190 8.993 144 2HA GLY 20 HA1 GLY 20 -7.253 -7.395 10.227 145 H GLY 21 HN GLY 21 -4.959 -5.936 7.964 146 1HA GLY 21 HA2 GLY 21 -3.488 -4.900 10.289 147 2HA GLY 21 HA1 GLY 21 -2.746 -5.398 8.774 148 H SER 22 HN SER 22 -3.717 -2.858 10.551 149 HA SER 22 HA SER 22 -4.838 -1.031 8.804 150 1HB SER 22 HB2 SER 22 -2.776 0.064 10.605 151 2HB SER 22 HB1 SER 22 -4.464 0.514 10.420 152 HG SER 22 HG SER 22 -3.323 -1.524 11.979 153 H ARG 23 HN ARG 23 -3.899 0.794 7.693 154 HA ARG 23 HA ARG 23 -2.123 0.160 5.721 155 1HB ARG 23 HB2 ARG 23 -3.245 2.645 6.882 156 2HB ARG 23 HB1 ARG 23 -1.832 2.823 5.855 157 1HG ARG 23 HG2 ARG 23 -3.686 3.130 4.459 158 2HG ARG 23 HG1 ARG 23 -3.092 1.516 4.108 159 1HD ARG 23 HD2 ARG 23 -4.943 0.521 4.893 160 2HD ARG 23 HD1 ARG 23 -5.134 1.669 6.210 161 HE ARG 23 HE ARG 23 -6.099 3.222 4.556 162 1HH1 ARG 23 HH11 ARG 23 -5.909 -0.154 3.825 163 2HH1 ARG 23 HH12 ARG 23 -7.173 -0.118 2.659 164 1HH2 ARG 23 HH21 ARG 23 -7.709 3.355 2.905 165 2HH2 ARG 23 HH22 ARG 23 -8.159 1.908 2.063 166 H GLU 24 HN GLU 24 -1.508 1.267 8.934 167 HA GLU 24 HA GLU 24 1.155 2.157 8.577 168 1HB GLU 24 HB2 GLU 24 1.173 1.668 11.180 169 2HB GLU 24 HB1 GLU 24 0.264 3.024 10.516 170 1HG GLU 24 HG2 GLU 24 -1.779 1.839 10.656 171 2HG GLU 24 HG1 GLU 24 -0.953 0.323 10.994 172 H ARG 25 HN ARG 25 -0.010 -0.874 10.113 173 HA ARG 25 HA ARG 25 2.448 -1.996 10.620 174 1HB ARG 25 HB2 ARG 25 0.080 -2.873 11.176 175 2HB ARG 25 HB1 ARG 25 0.154 -3.683 9.616 176 1HG ARG 25 HG2 ARG 25 1.501 -5.294 10.412 177 2HG ARG 25 HG1 ARG 25 2.526 -4.126 11.254 178 1HD ARG 25 HD2 ARG 25 1.539 -4.523 13.215 179 2HD ARG 25 HD1 ARG 25 -0.069 -4.366 12.522 180 HE ARG 25 HE ARG 25 -0.146 -6.620 12.961 181 1HH1 ARG 25 HH11 ARG 25 2.908 -5.937 11.366 182 2HH1 ARG 25 HH12 ARG 25 3.380 -7.588 11.322 183 1HH2 ARG 25 HH21 ARG 25 0.548 -8.805 12.962 184 2HH2 ARG 25 HH22 ARG 25 2.068 -9.209 12.245 185 H CYS 26 HN CYS 26 0.599 -2.103 7.620 186 HA CYS 26 HA CYS 26 2.456 -3.765 6.272 187 1HB CYS 26 HB2 CYS 26 0.979 -2.006 4.508 188 2HB CYS 26 HB1 CYS 26 0.979 -3.750 4.598 189 H ALA 27 HN ALA 27 2.071 -0.278 6.593 190 HA ALA 27 HA ALA 27 3.940 0.505 4.632 191 1HB ALA 27 HB1 ALA 27 2.263 1.986 5.712 192 2HB ALA 27 HB2 ALA 27 3.892 2.665 5.687 193 3HB ALA 27 HB3 ALA 27 3.249 1.965 7.173 194 H SER 28 HN SER 28 4.323 -0.165 8.098 195 HA SER 28 HA SER 28 7.069 0.515 8.203 196 1HB SER 28 HB2 SER 28 5.257 0.085 10.117 197 2HB SER 28 HB1 SER 28 5.970 -1.526 10.077 198 HG SER 28 HG SER 28 7.207 0.939 10.671 199 H LEU 29 HN LEU 29 5.295 -2.408 7.514 200 HA LEU 29 HA LEU 29 7.492 -4.197 7.589 201 1HB LEU 29 HB2 LEU 29 4.691 -4.330 7.199 202 2HB LEU 29 HB1 LEU 29 5.435 -5.107 5.819 203 HG LEU 29 HG LEU 29 6.477 -5.911 8.469 204 1HD1 LEU 29 HD11 LEU 29 4.589 -7.488 8.786 205 2HD1 LEU 29 HD12 LEU 29 3.713 -6.643 7.512 206 3HD1 LEU 29 HD13 LEU 29 4.131 -5.800 9.003 207 1HD2 LEU 29 HD21 LEU 29 5.624 -7.477 6.038 208 2HD2 LEU 29 HD22 LEU 29 6.573 -8.070 7.399 209 3HD2 LEU 29 HD23 LEU 29 7.250 -6.857 6.314 210 H SER 30 HN SER 30 5.663 -2.885 4.810 211 HA SER 30 HA SER 30 7.867 -3.649 3.061 212 1HB SER 30 HB2 SER 30 5.024 -3.571 2.785 213 2HB SER 30 HB1 SER 30 5.737 -2.514 1.568 214 HG SER 30 HG SER 30 6.926 -4.220 0.795 215 H GLY 31 HN GLY 31 5.820 -0.753 3.588 216 1HA GLY 31 HA2 GLY 31 6.824 1.429 3.838 217 2HA GLY 31 HA1 GLY 31 8.163 0.870 2.845 218 H CYS 32 HN CYS 32 4.647 0.759 2.413 219 HA CYS 32 HA CYS 32 4.777 1.372 -0.381 220 1HB CYS 32 HB2 CYS 32 2.508 1.168 1.601 221 2HB CYS 32 HB1 CYS 32 2.263 1.518 -0.098 222 H LYS 33 HN LYS 33 2.943 3.064 -1.056 223 HA LYS 33 HA LYS 33 3.582 5.617 0.257 224 1HB LYS 33 HB2 LYS 33 4.638 5.137 -2.053 225 2HB LYS 33 HB1 LYS 33 3.023 5.381 -2.684 226 1HG LYS 33 HG2 LYS 33 4.607 7.362 -2.722 227 2HG LYS 33 HG1 LYS 33 2.988 7.633 -2.080 228 1HD LYS 33 HD2 LYS 33 4.863 8.664 -0.750 229 2HD LYS 33 HD1 LYS 33 3.779 7.612 0.159 230 1HE LYS 33 HE2 LYS 33 5.396 6.101 0.580 231 2HE LYS 33 HE1 LYS 33 6.096 6.255 -1.028 232 1HZ LYS 33 HZ1 LYS 33 7.153 8.300 -0.337 233 2HZ LYS 33 HZ2 LYS 33 7.604 7.034 0.688 234 3HZ LYS 33 HZ3 LYS 33 6.467 8.173 1.201 235 H ILE 34 HN ILE 34 1.806 6.227 1.287 236 HA ILE 34 HA ILE 34 -0.830 5.481 0.538 237 HB ILE 34 HB ILE 34 0.371 6.444 2.814 238 1HG1 ILE 34 HG12 ILE 34 -2.306 6.748 3.373 239 2HG1 ILE 34 HG11 ILE 34 -2.324 5.682 1.970 240 1HG2 ILE 34 HG21 ILE 34 -1.575 8.577 2.001 241 2HG2 ILE 34 HG22 ILE 34 0.168 8.738 1.813 242 3HG2 ILE 34 HG23 ILE 34 -0.528 8.540 3.420 243 1HD1 ILE 34 HD11 ILE 34 -0.710 4.208 3.160 244 2HD1 ILE 34 HD12 ILE 34 -2.288 4.337 3.937 245 3HD1 ILE 34 HD13 ILE 34 -0.912 5.227 4.585 246 H ILE 35 HN ILE 35 -2.350 6.541 -0.624 247 HA ILE 35 HA ILE 35 -1.612 8.436 -2.536 248 HB ILE 35 HB ILE 35 -4.460 8.096 -1.591 249 1HG1 ILE 35 HG12 ILE 35 -3.520 5.874 -1.927 250 2HG1 ILE 35 HG11 ILE 35 -4.545 6.279 -3.306 251 1HG2 ILE 35 HG21 ILE 35 -4.629 8.289 -4.211 252 2HG2 ILE 35 HG22 ILE 35 -3.085 9.110 -4.023 253 3HG2 ILE 35 HG23 ILE 35 -4.517 9.723 -3.202 254 1HD1 ILE 35 HD11 ILE 35 -2.775 5.620 -4.471 255 2HD1 ILE 35 HD12 ILE 35 -1.643 5.925 -3.146 256 3HD1 ILE 35 HD13 ILE 35 -2.205 7.251 -4.154 257 H SER 36 HN SER 36 -2.743 10.572 -2.879 258 HA SER 36 HA SER 36 -3.201 12.070 -0.431 259 1HB SER 36 HB2 SER 36 -0.693 12.044 -1.261 260 2HB SER 36 HB1 SER 36 -1.285 13.263 -2.387 261 HG SER 36 HG SER 36 -0.454 14.051 -0.324 262 H ALA 37 HN ALA 37 -4.930 11.264 -2.579 263 HA ALA 37 HA ALA 37 -6.376 13.585 -3.059 264 1HB ALA 37 HB1 ALA 37 -4.726 14.467 -4.476 265 2HB ALA 37 HB2 ALA 37 -5.914 13.769 -5.580 266 3HB ALA 37 HB3 ALA 37 -4.417 12.903 -5.231 267 H SER 38 HN SER 38 -5.358 10.623 -4.658 268 HA SER 38 HA SER 38 -7.474 9.003 -4.414 269 1HB SER 38 HB2 SER 38 -8.167 11.209 -6.241 270 2HB SER 38 HB1 SER 38 -8.440 9.610 -6.932 271 HG SER 38 HG SER 38 -10.278 10.316 -5.805 272 H THR 39 HN THR 39 -5.798 10.472 -7.187 273 HA THR 39 HA THR 39 -5.111 7.940 -8.318 274 HB THR 39 HB THR 39 -3.851 10.643 -8.862 275 HG1 THR 39 HG1 THR 39 -6.011 10.803 -9.336 276 1HG2 THR 39 HG21 THR 39 -2.556 8.761 -9.729 277 2HG2 THR 39 HG22 THR 39 -3.273 9.722 -11.026 278 3HG2 THR 39 HG23 THR 39 -3.989 8.175 -10.572 279 H CYS 40 HN CYS 40 -3.047 6.969 -8.305 280 HA CYS 40 HA CYS 40 -1.785 6.928 -5.847 281 1HB CYS 40 HB2 CYS 40 -1.016 5.929 -8.546 282 2HB CYS 40 HB1 CYS 40 0.060 5.699 -7.176 283 HA PRO 41 HA PRO 41 1.307 9.994 -5.611 284 1HB PRO 41 HB2 PRO 41 3.473 8.556 -4.734 285 2HB PRO 41 HB1 PRO 41 2.103 8.974 -3.711 286 1HG PRO 41 HG2 PRO 41 2.707 6.413 -5.116 287 2HG PRO 41 HG1 PRO 41 2.038 6.670 -3.496 288 1HD PRO 41 HD2 PRO 41 0.516 5.994 -5.614 289 2HD PRO 41 HD1 PRO 41 -0.091 6.986 -4.282 290 H SER 42 HN SER 42 3.910 7.791 -6.305 291 HA SER 42 HA SER 42 4.756 9.383 -8.485 292 1HB SER 42 HB2 SER 42 6.612 7.873 -8.677 293 2HB SER 42 HB1 SER 42 6.252 8.073 -6.956 294 HG SER 42 HG SER 42 5.076 6.136 -7.062 295 H ASP 43 HN ASP 43 3.595 5.929 -8.572 296 HA ASP 43 HA ASP 43 2.384 6.460 -11.176 297 1HB ASP 43 HB2 ASP 43 5.038 5.394 -10.902 298 2HB ASP 43 HB1 ASP 43 4.000 4.208 -11.682 299 H TYR 44 HN TYR 44 3.361 3.959 -8.945 300 HA TYR 44 HA TYR 44 1.683 1.875 -9.792 301 1HB TYR 44 HB2 TYR 44 2.275 1.114 -7.328 302 2HB TYR 44 HB1 TYR 44 3.534 1.221 -8.555 303 HD1 TYR 44 HD1 TYR 44 5.286 2.855 -8.371 304 HD2 TYR 44 HD2 TYR 44 2.065 2.875 -5.623 305 HE1 TYR 44 HE1 TYR 44 6.480 4.483 -6.975 306 HE2 TYR 44 HE2 TYR 44 3.251 4.494 -4.224 307 HH TYR 44 HH TYR 44 5.150 6.348 -4.770 308 HA PRO 45 HA PRO 45 -2.203 2.874 -7.792 309 1HB PRO 45 HB2 PRO 45 -3.246 0.329 -7.839 310 2HB PRO 45 HB1 PRO 45 -3.431 1.547 -9.103 311 1HG PRO 45 HG2 PRO 45 -1.833 -0.866 -9.107 312 2HG PRO 45 HG1 PRO 45 -2.237 0.206 -10.449 313 1HD PRO 45 HD2 PRO 45 0.253 -0.017 -9.056 314 2HD PRO 45 HD1 PRO 45 -0.155 1.068 -10.392 315 H LYS 46 HN LYS 46 -0.159 0.169 -6.897 316 HA LYS 46 HA LYS 46 -0.054 0.880 -4.223 317 1HB LYS 46 HB2 LYS 46 -2.041 -1.094 -4.892 318 2HB LYS 46 HB1 LYS 46 -0.910 -1.605 -3.638 319 1HG LYS 46 HG2 LYS 46 -1.949 1.091 -3.330 320 2HG LYS 46 HG1 LYS 46 -3.151 -0.150 -3.132 321 1HD LYS 46 HD2 LYS 46 -0.583 -0.547 -1.753 322 2HD LYS 46 HD1 LYS 46 -1.604 0.735 -1.134 323 1HE LYS 46 HE2 LYS 46 -2.900 -1.849 -1.678 324 2HE LYS 46 HE1 LYS 46 -1.801 -1.807 -0.333 325 1HZ LYS 46 HZ1 LYS 46 -3.174 0.226 0.368 326 2HZ LYS 46 HZ2 LYS 46 -3.832 -1.312 0.602 327 3HZ LYS 46 HZ3 LYS 46 -4.338 -0.370 -0.704 Start of MODEL 3 1 1H LYS 1 HT1 LYS 1 -4.567 -3.008 0.683 2 2H LYS 1 HT2 LYS 1 -3.933 -1.894 1.824 3 3H LYS 1 HT3 LYS 1 -2.921 -2.536 0.596 4 HA LYS 1 HA LYS 1 -4.342 -1.491 -1.055 5 1HB LYS 1 HB2 LYS 1 -6.090 -1.295 1.038 6 2HB LYS 1 HB1 LYS 1 -5.452 0.341 0.967 7 1HG LYS 1 HG2 LYS 1 -7.531 -0.002 -0.342 8 2HG LYS 1 HG1 LYS 1 -6.175 0.600 -1.293 9 1HD LYS 1 HD2 LYS 1 -6.354 -2.319 -1.206 10 2HD LYS 1 HD1 LYS 1 -7.751 -1.540 -1.952 11 1HE LYS 1 HE2 LYS 1 -6.452 -0.543 -3.618 12 2HE LYS 1 HE1 LYS 1 -4.957 -0.770 -2.715 13 1HZ LYS 1 HZ1 LYS 1 -5.174 -3.168 -3.076 14 2HZ LYS 1 HZ2 LYS 1 -5.076 -2.321 -4.537 15 3HZ LYS 1 HZ3 LYS 1 -6.567 -2.909 -4.000 16 H SER 2 HN SER 2 -4.539 1.381 -0.515 17 HA SER 2 HA SER 2 -3.255 3.261 -0.337 18 1HB SER 2 HB2 SER 2 -1.574 3.373 1.225 19 2HB SER 2 HB1 SER 2 -2.345 1.879 1.754 20 HG SER 2 HG SER 2 -0.738 0.712 0.840 21 H CYS 3 HN CYS 3 -1.248 4.207 -1.247 22 HA CYS 3 HA CYS 3 -0.761 3.185 -3.854 23 1HB CYS 3 HB2 CYS 3 -0.736 5.543 -3.624 24 2HB CYS 3 HB1 CYS 3 0.385 5.473 -2.273 25 H CYS 4 HN CYS 4 0.546 1.540 -4.320 26 HA CYS 4 HA CYS 4 2.824 1.105 -2.497 27 1HB CYS 4 HB2 CYS 4 1.305 -0.844 -4.220 28 2HB CYS 4 HB1 CYS 4 2.788 -1.251 -3.366 29 HA PRO 5 HA PRO 5 5.009 2.556 -6.247 30 1HB PRO 5 HB2 PRO 5 7.250 2.537 -4.307 31 2HB PRO 5 HB1 PRO 5 6.726 3.810 -5.414 32 1HG PRO 5 HG2 PRO 5 6.265 4.006 -2.798 33 2HG PRO 5 HG1 PRO 5 5.059 4.553 -3.980 34 1HD PRO 5 HD2 PRO 5 5.129 2.032 -2.367 35 2HD PRO 5 HD1 PRO 5 3.750 3.085 -2.749 36 H ASN 6 HN ASN 6 4.757 -0.390 -5.025 37 HA ASN 6 HA ASN 6 6.419 -1.601 -6.933 38 1HB ASN 6 HB2 ASN 6 8.027 -2.718 -5.339 39 2HB ASN 6 HB1 ASN 6 8.306 -0.999 -5.598 40 1HD2 ASN 6 HD21 ASN 6 9.502 -1.154 -3.594 41 2HD2 ASN 6 HD22 ASN 6 8.654 -1.039 -2.093 42 H THR 7 HN THR 7 5.862 -3.712 -7.224 43 HA THR 7 HA THR 7 3.519 -4.707 -6.106 44 HB THR 7 HB THR 7 4.209 -5.639 -8.165 45 HG1 THR 7 HG1 THR 7 3.573 -7.533 -7.585 46 1HG2 THR 7 HG21 THR 7 6.481 -7.210 -7.555 47 2HG2 THR 7 HG22 THR 7 6.822 -5.544 -7.086 48 3HG2 THR 7 HG23 THR 7 6.320 -5.910 -8.737 49 H THR 8 HN THR 8 6.858 -5.094 -5.127 50 HA THR 8 HA THR 8 6.582 -7.167 -3.277 51 HB THR 8 HB THR 8 8.574 -5.950 -2.136 52 HG1 THR 8 HG1 THR 8 8.158 -3.907 -3.067 53 1HG2 THR 8 HG21 THR 8 8.563 -7.780 -4.053 54 2HG2 THR 8 HG22 THR 8 10.044 -7.005 -3.491 55 3HG2 THR 8 HG23 THR 8 9.261 -6.444 -4.968 56 H GLY 9 HN GLY 9 5.469 -3.915 -3.167 57 1HA GLY 9 HA2 GLY 9 5.106 -4.024 -0.260 58 2HA GLY 9 HA1 GLY 9 4.892 -2.600 -1.272 59 H ARG 10 HN ARG 10 3.340 -3.773 -3.282 60 HA ARG 10 HA ARG 10 0.760 -3.436 -2.334 61 1HB ARG 10 HB2 ARG 10 1.033 -3.262 -4.651 62 2HB ARG 10 HB1 ARG 10 1.910 -4.779 -4.756 63 1HG ARG 10 HG2 ARG 10 -0.164 -5.208 -5.732 64 2HG ARG 10 HG1 ARG 10 -0.284 -5.905 -4.116 65 1HD ARG 10 HD2 ARG 10 -2.275 -4.763 -4.267 66 2HD ARG 10 HD1 ARG 10 -1.243 -3.559 -3.498 67 HE ARG 10 HE ARG 10 -1.926 -3.590 -6.356 68 1HH1 ARG 10 HH11 ARG 10 -1.061 -1.851 -3.456 69 2HH1 ARG 10 HH12 ARG 10 -1.174 -0.302 -4.214 70 1HH2 ARG 10 HH21 ARG 10 -2.064 -1.582 -7.351 71 2HH2 ARG 10 HH22 ARG 10 -1.736 -0.150 -6.441 72 H ASN 11 HN ASN 11 2.576 -6.440 -2.812 73 HA ASN 11 HA ASN 11 0.516 -8.196 -2.143 74 1HB ASN 11 HB2 ASN 11 3.426 -8.678 -1.531 75 2HB ASN 11 HB1 ASN 11 2.194 -9.849 -1.959 76 1HD2 ASN 11 HD21 ASN 11 4.856 -8.991 -3.129 77 2HD2 ASN 11 HD22 ASN 11 4.515 -8.773 -4.809 78 H ILE 12 HN ILE 12 3.199 -7.163 -0.012 79 HA ILE 12 HA ILE 12 2.100 -8.327 2.278 80 HB ILE 12 HB ILE 12 4.048 -6.047 2.008 81 1HG1 ILE 12 HG12 ILE 12 5.389 -8.130 3.120 82 2HG1 ILE 12 HG11 ILE 12 4.211 -8.993 2.136 83 1HG2 ILE 12 HG21 ILE 12 4.591 -6.551 4.421 84 2HG2 ILE 12 HG22 ILE 12 3.074 -7.448 4.487 85 3HG2 ILE 12 HG23 ILE 12 3.062 -5.719 4.138 86 1HD1 ILE 12 HD11 ILE 12 6.033 -6.848 1.094 87 2HD1 ILE 12 HD12 ILE 12 4.983 -7.907 0.156 88 3HD1 ILE 12 HD13 ILE 12 6.374 -8.574 1.010 89 H TYR 13 HN TYR 13 1.767 -5.006 1.062 90 HA TYR 13 HA TYR 13 0.318 -4.057 3.270 91 1HB TYR 13 HB2 TYR 13 1.440 -2.860 1.216 92 2HB TYR 13 HB1 TYR 13 -0.172 -2.994 0.532 93 HD1 TYR 13 HD1 TYR 13 -2.076 -2.267 2.351 94 HD2 TYR 13 HD2 TYR 13 1.937 -0.869 2.227 95 HE1 TYR 13 HE1 TYR 13 -2.751 -0.237 3.564 96 HE2 TYR 13 HE2 TYR 13 1.275 1.163 3.439 97 HH TYR 13 HH TYR 13 -0.435 2.010 4.824 98 H ASN 14 HN ASN 14 -0.735 -5.431 0.177 99 HA ASN 14 HA ASN 14 -3.488 -5.123 0.682 100 1HB ASN 14 HB2 ASN 14 -1.851 -6.669 -1.279 101 2HB ASN 14 HB1 ASN 14 -3.565 -7.001 -1.138 102 1HD2 ASN 14 HD21 ASN 14 -1.855 -3.906 -0.832 103 2HD2 ASN 14 HD22 ASN 14 -2.667 -3.133 -2.145 104 H THR 15 HN THR 15 -1.346 -8.021 0.950 105 HA THR 15 HA THR 15 -3.440 -9.637 1.983 106 HB THR 15 HB THR 15 -1.564 -10.776 1.087 107 HG1 THR 15 HG1 THR 15 -1.407 -11.076 3.896 108 1HG2 THR 15 HG21 THR 15 0.534 -10.112 1.294 109 2HG2 THR 15 HG22 THR 15 0.467 -10.394 3.034 110 3HG2 THR 15 HG23 THR 15 0.009 -8.823 2.379 111 H CYS 16 HN CYS 16 -0.996 -7.605 3.502 112 HA CYS 16 HA CYS 16 -1.347 -8.281 6.162 113 1HB CYS 16 HB2 CYS 16 0.369 -6.746 5.708 114 2HB CYS 16 HB1 CYS 16 -0.680 -5.717 4.746 115 H ARG 17 HN ARG 17 -3.062 -5.799 4.272 116 HA ARG 17 HA ARG 17 -4.945 -5.125 6.249 117 1HB ARG 17 HB2 ARG 17 -4.567 -4.649 3.384 118 2HB ARG 17 HB1 ARG 17 -6.259 -4.720 3.854 119 1HG ARG 17 HG2 ARG 17 -4.468 -3.064 5.527 120 2HG ARG 17 HG1 ARG 17 -4.842 -2.472 3.907 121 1HD ARG 17 HD2 ARG 17 -6.878 -3.287 5.979 122 2HD ARG 17 HD1 ARG 17 -6.405 -1.626 5.621 123 HE ARG 17 HE ARG 17 -8.172 -3.294 4.090 124 1HH1 ARG 17 HH11 ARG 17 -5.999 -0.565 3.964 125 2HH1 ARG 17 HH12 ARG 17 -6.755 0.130 2.571 126 1HH2 ARG 17 HH21 ARG 17 -9.167 -2.379 2.257 127 2HH2 ARG 17 HH22 ARG 17 -8.553 -0.898 1.602 128 H LEU 18 HN LEU 18 -4.838 -7.657 3.821 129 HA LEU 18 HA LEU 18 -7.509 -8.493 3.985 130 1HB LEU 18 HB2 LEU 18 -6.839 -9.928 2.390 131 2HB LEU 18 HB1 LEU 18 -5.263 -9.195 2.533 132 HG LEU 18 HG LEU 18 -4.724 -10.940 4.260 133 1HD1 LEU 18 HD11 LEU 18 -6.387 -13.014 3.491 134 2HD1 LEU 18 HD12 LEU 18 -7.482 -11.648 3.708 135 3HD1 LEU 18 HD13 LEU 18 -6.430 -12.154 5.030 136 1HD2 LEU 18 HD21 LEU 18 -5.167 -12.638 1.993 137 2HD2 LEU 18 HD22 LEU 18 -3.663 -11.930 2.578 138 3HD2 LEU 18 HD23 LEU 18 -4.681 -11.031 1.454 139 H GLY 19 HN GLY 19 -4.868 -8.849 6.146 140 1HA GLY 19 HA2 GLY 19 -6.328 -10.909 7.654 141 2HA GLY 19 HA1 GLY 19 -4.607 -10.594 7.797 142 H GLY 20 HN GLY 20 -6.734 -7.879 7.598 143 1HA GLY 20 HA2 GLY 20 -7.433 -6.348 9.164 144 2HA GLY 20 HA1 GLY 20 -7.270 -7.610 10.374 145 H GLY 21 HN GLY 21 -5.110 -5.691 8.294 146 1HA GLY 21 HA2 GLY 21 -3.507 -5.085 10.688 147 2HA GLY 21 HA1 GLY 21 -2.754 -5.532 9.163 148 H SER 22 HN SER 22 -3.355 -3.009 11.051 149 HA SER 22 HA SER 22 -4.511 -0.963 9.714 150 1HB SER 22 HB2 SER 22 -1.933 -0.112 10.795 151 2HB SER 22 HB1 SER 22 -3.565 0.352 11.272 152 HG SER 22 HG SER 22 -3.654 -1.318 12.659 153 H ARG 23 HN ARG 23 -3.778 0.718 8.336 154 HA ARG 23 HA ARG 23 -2.434 -0.202 6.049 155 1HB ARG 23 HB2 ARG 23 -3.781 2.212 6.922 156 2HB ARG 23 HB1 ARG 23 -2.377 2.574 5.933 157 1HG ARG 23 HG2 ARG 23 -3.352 1.831 4.058 158 2HG ARG 23 HG1 ARG 23 -4.082 0.446 4.870 159 1HD ARG 23 HD2 ARG 23 -5.868 1.819 4.142 160 2HD ARG 23 HD1 ARG 23 -5.733 2.052 5.884 161 HE ARG 23 HE ARG 23 -5.183 4.243 5.515 162 1HH1 ARG 23 HH11 ARG 23 -4.872 2.481 2.518 163 2HH1 ARG 23 HH12 ARG 23 -4.615 3.903 1.564 164 1HH2 ARG 23 HH21 ARG 23 -4.846 6.114 4.261 165 2HH2 ARG 23 HH22 ARG 23 -4.601 5.966 2.553 166 H GLU 24 HN GLU 24 -1.413 1.731 8.775 167 HA GLU 24 HA GLU 24 1.122 2.435 7.707 168 1HB GLU 24 HB2 GLU 24 0.644 2.313 10.653 169 2HB GLU 24 HB1 GLU 24 1.506 3.521 9.709 170 1HG GLU 24 HG2 GLU 24 -0.807 4.084 8.728 171 2HG GLU 24 HG1 GLU 24 -1.437 3.199 10.116 172 H ARG 25 HN ARG 25 0.004 -0.243 9.731 173 HA ARG 25 HA ARG 25 2.504 -1.192 10.537 174 1HB ARG 25 HB2 ARG 25 -0.003 -1.968 11.054 175 2HB ARG 25 HB1 ARG 25 0.403 -3.184 9.851 176 1HG ARG 25 HG2 ARG 25 1.903 -4.223 11.199 177 2HG ARG 25 HG1 ARG 25 2.350 -2.734 12.035 178 1HD ARG 25 HD2 ARG 25 0.724 -2.960 13.586 179 2HD ARG 25 HD1 ARG 25 -0.423 -3.642 12.435 180 HE ARG 25 HE ARG 25 0.219 -5.723 13.109 181 1HH1 ARG 25 HH11 ARG 25 2.713 -3.457 14.016 182 2HH1 ARG 25 HH12 ARG 25 3.637 -4.631 14.890 183 1HH2 ARG 25 HH21 ARG 25 1.433 -7.270 14.258 184 2HH2 ARG 25 HH22 ARG 25 2.910 -6.797 15.027 185 H CYS 26 HN CYS 26 0.586 -2.072 7.685 186 HA CYS 26 HA CYS 26 2.601 -3.787 6.619 187 1HB CYS 26 HB2 CYS 26 0.813 -2.673 4.603 188 2HB CYS 26 HB1 CYS 26 1.077 -4.342 5.070 189 H ALA 27 HN ALA 27 1.751 -0.416 6.275 190 HA ALA 27 HA ALA 27 3.250 0.288 4.051 191 1HB ALA 27 HB1 ALA 27 1.663 1.766 5.291 192 2HB ALA 27 HB2 ALA 27 3.188 2.539 4.864 193 3HB ALA 27 HB3 ALA 27 2.911 1.990 6.516 194 H SER 28 HN SER 28 4.264 0.363 7.475 195 HA SER 28 HA SER 28 6.963 1.004 6.862 196 1HB SER 28 HB2 SER 28 5.760 1.422 9.067 197 2HB SER 28 HB1 SER 28 5.991 -0.291 9.409 198 HG SER 28 HG SER 28 7.865 0.320 10.127 199 H LEU 29 HN LEU 29 5.154 -1.909 6.910 200 HA LEU 29 HA LEU 29 7.271 -3.728 7.407 201 1HB LEU 29 HB2 LEU 29 4.503 -3.867 7.066 202 2HB LEU 29 HB1 LEU 29 5.166 -4.829 5.758 203 HG LEU 29 HG LEU 29 6.198 -5.293 8.517 204 1HD1 LEU 29 HD11 LEU 29 4.293 -7.070 8.608 205 2HD1 LEU 29 HD12 LEU 29 3.455 -5.943 7.543 206 3HD1 LEU 29 HD13 LEU 29 3.987 -5.416 9.139 207 1HD2 LEU 29 HD21 LEU 29 6.490 -7.531 7.711 208 2HD2 LEU 29 HD22 LEU 29 7.135 -6.418 6.505 209 3HD2 LEU 29 HD23 LEU 29 5.564 -7.177 6.253 210 H SER 30 HN SER 30 5.729 -2.622 4.375 211 HA SER 30 HA SER 30 7.975 -3.847 2.937 212 1HB SER 30 HB2 SER 30 5.277 -4.167 2.497 213 2HB SER 30 HB1 SER 30 5.730 -2.976 1.281 214 HG SER 30 HG SER 30 7.454 -4.448 0.701 215 H GLY 31 HN GLY 31 5.779 -1.225 1.927 216 1HA GLY 31 HA2 GLY 31 7.199 1.007 2.269 217 2HA GLY 31 HA1 GLY 31 8.094 0.237 0.976 218 H CYS 32 HN CYS 32 4.586 0.236 1.431 219 HA CYS 32 HA CYS 32 4.118 1.017 -1.278 220 1HB CYS 32 HB2 CYS 32 2.328 0.731 1.144 221 2HB CYS 32 HB1 CYS 32 1.726 1.209 -0.434 222 H LYS 33 HN LYS 33 1.832 2.851 0.105 223 HA LYS 33 HA LYS 33 3.172 5.158 0.998 224 1HB LYS 33 HB2 LYS 33 3.273 4.818 -1.766 225 2HB LYS 33 HB1 LYS 33 1.972 5.967 -1.517 226 1HG LYS 33 HG2 LYS 33 3.685 7.432 -1.630 227 2HG LYS 33 HG1 LYS 33 3.792 7.060 0.090 228 1HD LYS 33 HD2 LYS 33 5.256 5.163 -1.556 229 2HD LYS 33 HD1 LYS 33 5.823 6.820 -1.766 230 1HE LYS 33 HE2 LYS 33 5.339 6.073 1.020 231 2HE LYS 33 HE1 LYS 33 6.594 5.117 0.233 232 1HZ LYS 33 HZ1 LYS 33 6.552 8.078 0.155 233 2HZ LYS 33 HZ2 LYS 33 7.829 7.047 -0.253 234 3HZ LYS 33 HZ3 LYS 33 7.355 7.207 1.362 235 H ILE 34 HN ILE 34 1.711 5.903 2.364 236 HA ILE 34 HA ILE 34 -1.072 5.288 2.057 237 HB ILE 34 HB ILE 34 0.160 5.352 4.253 238 1HG1 ILE 34 HG12 ILE 34 -1.868 6.824 5.273 239 2HG1 ILE 34 HG11 ILE 34 -2.488 6.512 3.654 240 1HG2 ILE 34 HG21 ILE 34 1.072 7.749 3.571 241 2HG2 ILE 34 HG22 ILE 34 0.861 7.260 5.253 242 3HG2 ILE 34 HG23 ILE 34 -0.360 8.258 4.466 243 1HD1 ILE 34 HD11 ILE 34 -2.410 4.173 3.979 244 2HD1 ILE 34 HD12 ILE 34 -3.152 4.861 5.424 245 3HD1 ILE 34 HD13 ILE 34 -1.467 4.342 5.460 246 H ILE 35 HN ILE 35 -1.835 6.359 0.237 247 HA ILE 35 HA ILE 35 -2.355 9.200 0.644 248 HB ILE 35 HB ILE 35 -1.159 8.242 -1.958 249 1HG1 ILE 35 HG12 ILE 35 0.684 9.928 -1.166 250 2HG1 ILE 35 HG11 ILE 35 0.052 9.582 0.438 251 1HG2 ILE 35 HG21 ILE 35 -1.626 10.255 -2.830 252 2HG2 ILE 35 HG22 ILE 35 -1.240 11.105 -1.334 253 3HG2 ILE 35 HG23 ILE 35 -2.822 10.354 -1.538 254 1HD1 ILE 35 HD11 ILE 35 1.356 7.803 0.505 255 2HD1 ILE 35 HD12 ILE 35 1.850 8.059 -1.168 256 3HD1 ILE 35 HD13 ILE 35 0.414 7.101 -0.810 257 H SER 36 HN SER 36 -2.638 6.853 -2.034 258 HA SER 36 HA SER 36 -4.507 5.901 -2.970 259 1HB SER 36 HB2 SER 36 -6.569 5.959 -1.961 260 2HB SER 36 HB1 SER 36 -5.579 6.469 -0.594 261 HG SER 36 HG SER 36 -6.364 8.442 -0.743 262 H ALA 37 HN ALA 37 -3.395 8.967 -3.102 263 HA ALA 37 HA ALA 37 -5.300 10.330 -4.667 264 1HB ALA 37 HB1 ALA 37 -2.322 10.725 -4.827 265 2HB ALA 37 HB2 ALA 37 -3.298 11.324 -3.487 266 3HB ALA 37 HB3 ALA 37 -3.595 11.907 -5.124 267 H SER 38 HN SER 38 -3.245 7.707 -5.366 268 HA SER 38 HA SER 38 -3.211 6.370 -7.224 269 1HB SER 38 HB2 SER 38 -5.299 8.069 -7.916 270 2HB SER 38 HB1 SER 38 -4.165 8.220 -9.259 271 HG SER 38 HG SER 38 -5.853 6.391 -9.128 272 H THR 39 HN THR 39 -2.496 9.795 -7.872 273 HA THR 39 HA THR 39 -0.775 9.681 -9.936 274 HB THR 39 HB THR 39 -0.124 11.275 -7.458 275 HG1 THR 39 HG1 THR 39 -2.117 11.937 -7.715 276 1HG2 THR 39 HG21 THR 39 0.453 13.016 -9.168 277 2HG2 THR 39 HG22 THR 39 0.339 11.745 -10.385 278 3HG2 THR 39 HG23 THR 39 1.535 11.625 -9.096 279 H CYS 40 HN CYS 40 0.127 9.052 -6.563 280 HA CYS 40 HA CYS 40 1.914 8.025 -5.610 281 1HB CYS 40 HB2 CYS 40 1.547 6.478 -8.152 282 2HB CYS 40 HB1 CYS 40 2.790 6.037 -6.989 283 HA PRO 41 HA PRO 41 5.818 9.736 -6.537 284 1HB PRO 41 HB2 PRO 41 7.447 7.462 -6.426 285 2HB PRO 41 HB1 PRO 41 7.001 8.489 -5.062 286 1HG PRO 41 HG2 PRO 41 5.820 5.903 -5.961 287 2HG PRO 41 HG1 PRO 41 6.084 6.509 -4.314 288 1HD PRO 41 HD2 PRO 41 3.651 6.519 -5.403 289 2HD PRO 41 HD1 PRO 41 4.196 7.866 -4.381 290 H SER 42 HN SER 42 6.513 6.544 -7.898 291 HA SER 42 HA SER 42 7.595 7.679 -10.263 292 1HB SER 42 HB2 SER 42 7.012 4.845 -9.418 293 2HB SER 42 HB1 SER 42 7.675 5.227 -11.007 294 HG SER 42 HG SER 42 9.431 6.233 -9.946 295 H ASP 43 HN ASP 43 5.322 5.003 -10.543 296 HA ASP 43 HA ASP 43 3.440 6.661 -12.030 297 1HB ASP 43 HB2 ASP 43 5.180 4.546 -13.214 298 2HB ASP 43 HB1 ASP 43 3.529 4.695 -13.805 299 H TYR 44 HN TYR 44 3.566 4.920 -9.540 300 HA TYR 44 HA TYR 44 1.939 2.653 -10.049 301 1HB TYR 44 HB2 TYR 44 3.489 3.343 -7.991 302 2HB TYR 44 HB1 TYR 44 1.949 3.893 -7.350 303 HD1 TYR 44 HD1 TYR 44 3.528 0.910 -8.926 304 HD2 TYR 44 HD2 TYR 44 0.572 2.395 -6.253 305 HE1 TYR 44 HE1 TYR 44 2.989 -1.393 -8.249 306 HE2 TYR 44 HE2 TYR 44 0.033 0.099 -5.568 307 HH TYR 44 HH TYR 44 0.786 -2.540 -7.225 308 HA PRO 45 HA PRO 45 -1.976 4.722 -9.951 309 1HB PRO 45 HB2 PRO 45 -3.525 2.569 -10.259 310 2HB PRO 45 HB1 PRO 45 -2.369 3.066 -11.500 311 1HG PRO 45 HG2 PRO 45 -2.268 0.766 -9.661 312 2HG PRO 45 HG1 PRO 45 -1.439 1.005 -11.206 313 1HD PRO 45 HD2 PRO 45 -0.429 1.426 -8.521 314 2HD PRO 45 HD1 PRO 45 0.448 1.515 -10.060 315 H LYS 46 HN LYS 46 -1.129 2.746 -7.215 316 HA LYS 46 HA LYS 46 -3.786 2.956 -6.072 317 1HB LYS 46 HB2 LYS 46 -1.472 1.337 -5.596 318 2HB LYS 46 HB1 LYS 46 -1.939 2.120 -4.100 319 1HG LYS 46 HG2 LYS 46 -3.603 0.306 -5.815 320 2HG LYS 46 HG1 LYS 46 -3.074 0.054 -4.152 321 1HD LYS 46 HD2 LYS 46 -4.921 1.031 -3.394 322 2HD LYS 46 HD1 LYS 46 -4.528 2.504 -4.278 323 1HE LYS 46 HE2 LYS 46 -5.671 0.261 -5.839 324 2HE LYS 46 HE1 LYS 46 -6.752 1.090 -4.720 325 1HZ LYS 46 HZ1 LYS 46 -5.780 3.199 -5.852 326 2HZ LYS 46 HZ2 LYS 46 -7.007 2.322 -6.620 327 3HZ LYS 46 HZ3 LYS 46 -5.399 2.134 -7.110 Start of MODEL 4 1 1H LYS 1 HT1 LYS 1 -7.685 3.053 -2.907 2 2H LYS 1 HT2 LYS 1 -8.266 3.251 -1.304 3 3H LYS 1 HT3 LYS 1 -8.856 1.968 -2.282 4 HA LYS 1 HA LYS 1 -7.236 1.310 -0.583 5 1HB LYS 1 HB2 LYS 1 -7.011 0.859 -3.520 6 2HB LYS 1 HB1 LYS 1 -5.754 0.192 -2.492 7 1HG LYS 1 HG2 LYS 1 -8.696 -0.340 -2.143 8 2HG LYS 1 HG1 LYS 1 -7.578 -1.398 -3.007 9 1HD LYS 1 HD2 LYS 1 -7.363 -0.609 -0.101 10 2HD LYS 1 HD1 LYS 1 -7.966 -2.153 -0.701 11 1HE LYS 1 HE2 LYS 1 -5.184 -1.057 -1.094 12 2HE LYS 1 HE1 LYS 1 -5.646 -2.336 0.024 13 1HZ LYS 1 HZ1 LYS 1 -4.680 -3.203 -2.031 14 2HZ LYS 1 HZ2 LYS 1 -5.917 -2.479 -2.931 15 3HZ LYS 1 HZ3 LYS 1 -6.281 -3.715 -1.836 16 H SER 2 HN SER 2 -4.683 0.766 -0.947 17 HA SER 2 HA SER 2 -3.394 3.329 -0.634 18 1HB SER 2 HB2 SER 2 -1.408 1.685 -0.064 19 2HB SER 2 HB1 SER 2 -2.700 1.978 1.098 20 HG SER 2 HG SER 2 -1.965 -0.325 0.082 21 H CYS 3 HN CYS 3 -1.060 3.407 -1.439 22 HA CYS 3 HA CYS 3 -0.929 2.383 -4.202 23 1HB CYS 3 HB2 CYS 3 -1.440 4.699 -4.423 24 2HB CYS 3 HB1 CYS 3 -0.288 5.144 -3.170 25 H CYS 4 HN CYS 4 0.884 1.319 -4.708 26 HA CYS 4 HA CYS 4 3.285 1.774 -3.081 27 1HB CYS 4 HB2 CYS 4 1.737 -0.496 -2.843 28 2HB CYS 4 HB1 CYS 4 2.979 -0.995 -3.986 29 HA PRO 5 HA PRO 5 5.168 2.176 -7.049 30 1HB PRO 5 HB2 PRO 5 7.771 1.817 -6.376 31 2HB PRO 5 HB1 PRO 5 6.868 3.283 -5.983 32 1HG PRO 5 HG2 PRO 5 7.496 0.925 -4.250 33 2HG PRO 5 HG1 PRO 5 7.568 2.653 -3.857 34 1HD PRO 5 HD2 PRO 5 5.497 1.074 -3.119 35 2HD PRO 5 HD1 PRO 5 5.298 2.795 -3.499 36 H ASN 6 HN ASN 6 4.961 -0.792 -5.467 37 HA ASN 6 HA ASN 6 5.602 -2.195 -7.888 38 1HB ASN 6 HB2 ASN 6 7.460 -2.274 -5.544 39 2HB ASN 6 HB1 ASN 6 7.238 -3.728 -6.512 40 1HD2 ASN 6 HD21 ASN 6 9.114 -1.092 -6.128 41 2HD2 ASN 6 HD22 ASN 6 9.755 -0.943 -7.725 42 H THR 7 HN THR 7 4.767 -4.269 -7.955 43 HA THR 7 HA THR 7 2.548 -4.826 -6.366 44 HB THR 7 HB THR 7 2.469 -6.968 -7.451 45 HG1 THR 7 HG1 THR 7 5.200 -6.506 -8.037 46 1HG2 THR 7 HG21 THR 7 3.817 -5.410 -9.588 47 2HG2 THR 7 HG22 THR 7 2.331 -4.778 -8.879 48 3HG2 THR 7 HG23 THR 7 2.337 -6.367 -9.644 49 H THR 8 HN THR 8 5.913 -5.670 -5.981 50 HA THR 8 HA THR 8 5.712 -7.730 -4.114 51 HB THR 8 HB THR 8 7.963 -6.496 -3.283 52 HG1 THR 8 HG1 THR 8 7.381 -4.725 -4.784 53 1HG2 THR 8 HG21 THR 8 7.695 -8.723 -4.477 54 2HG2 THR 8 HG22 THR 8 9.203 -7.845 -4.728 55 3HG2 THR 8 HG23 THR 8 7.951 -7.820 -5.969 56 H GLY 9 HN GLY 9 5.373 -4.267 -3.757 57 1HA GLY 9 HA2 GLY 9 5.322 -4.410 -0.854 58 2HA GLY 9 HA1 GLY 9 5.091 -2.967 -1.835 59 H ARG 10 HN ARG 10 3.072 -3.796 -3.513 60 HA ARG 10 HA ARG 10 0.766 -3.266 -2.071 61 1HB ARG 10 HB2 ARG 10 1.151 -4.704 -4.699 62 2HB ARG 10 HB1 ARG 10 -0.436 -4.312 -4.055 63 1HG ARG 10 HG2 ARG 10 1.720 -2.312 -4.696 64 2HG ARG 10 HG1 ARG 10 0.333 -2.689 -5.720 65 1HD ARG 10 HD2 ARG 10 0.137 -1.648 -2.898 66 2HD ARG 10 HD1 ARG 10 0.053 -0.637 -4.338 67 HE ARG 10 HE ARG 10 -1.872 -2.514 -4.743 68 1HH1 ARG 10 HH11 ARG 10 -1.164 -0.315 -2.130 69 2HH1 ARG 10 HH12 ARG 10 -2.826 -0.097 -1.700 70 1HH2 ARG 10 HH21 ARG 10 -4.054 -2.222 -4.186 71 2HH2 ARG 10 HH22 ARG 10 -4.464 -1.169 -2.876 72 H ASN 11 HN ASN 11 2.366 -6.307 -2.729 73 HA ASN 11 HA ASN 11 0.321 -8.071 -2.008 74 1HB ASN 11 HB2 ASN 11 3.311 -8.214 -2.109 75 2HB ASN 11 HB1 ASN 11 2.408 -9.531 -1.382 76 1HD2 ASN 11 HD21 ASN 11 3.899 -8.732 -4.071 77 2HD2 ASN 11 HD22 ASN 11 2.929 -9.536 -5.252 78 H ILE 12 HN ILE 12 3.077 -6.960 -0.005 79 HA ILE 12 HA ILE 12 2.150 -8.147 2.353 80 HB ILE 12 HB ILE 12 3.900 -5.713 2.010 81 1HG1 ILE 12 HG12 ILE 12 5.538 -7.634 2.911 82 2HG1 ILE 12 HG11 ILE 12 4.355 -8.647 2.089 83 1HG2 ILE 12 HG21 ILE 12 2.937 -7.114 4.443 84 2HG2 ILE 12 HG22 ILE 12 3.317 -5.410 4.191 85 3HG2 ILE 12 HG23 ILE 12 4.617 -6.579 4.413 86 1HD1 ILE 12 HD11 ILE 12 5.360 -8.229 0.173 87 2HD1 ILE 12 HD12 ILE 12 6.503 -7.162 0.989 88 3HD1 ILE 12 HD13 ILE 12 4.990 -6.514 0.356 89 H TYR 13 HN TYR 13 1.623 -4.870 1.098 90 HA TYR 13 HA TYR 13 0.153 -3.940 3.298 91 1HB TYR 13 HB2 TYR 13 1.159 -2.816 1.080 92 2HB TYR 13 HB1 TYR 13 -0.517 -2.964 0.587 93 HD1 TYR 13 HD1 TYR 13 1.856 -1.186 2.637 94 HD2 TYR 13 HD2 TYR 13 -2.293 -1.806 1.936 95 HE1 TYR 13 HE1 TYR 13 1.347 0.866 3.888 96 HE2 TYR 13 HE2 TYR 13 -2.815 0.247 3.185 97 HH TYR 13 HH TYR 13 -0.364 1.993 4.961 98 H ASN 14 HN ASN 14 -0.771 -5.620 0.343 99 HA ASN 14 HA ASN 14 -3.563 -5.456 0.709 100 1HB ASN 14 HB2 ASN 14 -1.712 -7.017 -1.017 101 2HB ASN 14 HB1 ASN 14 -3.347 -7.626 -0.826 102 1HD2 ASN 14 HD21 ASN 14 -1.808 -4.453 -1.271 103 2HD2 ASN 14 HD22 ASN 14 -2.860 -3.933 -2.537 104 H THR 15 HN THR 15 -1.350 -8.261 1.175 105 HA THR 15 HA THR 15 -3.307 -9.854 2.415 106 HB THR 15 HB THR 15 -1.450 -11.052 1.695 107 HG1 THR 15 HG1 THR 15 -0.912 -10.774 4.459 108 1HG2 THR 15 HG21 THR 15 0.500 -10.047 1.415 109 2HG2 THR 15 HG22 THR 15 0.790 -10.281 3.140 110 3HG2 THR 15 HG23 THR 15 0.081 -8.774 2.562 111 H CYS 16 HN CYS 16 -0.946 -7.595 3.759 112 HA CYS 16 HA CYS 16 -1.278 -8.037 6.461 113 1HB CYS 16 HB2 CYS 16 0.357 -6.463 5.865 114 2HB CYS 16 HB1 CYS 16 -0.747 -5.567 4.834 115 H ARG 17 HN ARG 17 -3.104 -5.769 4.407 116 HA ARG 17 HA ARG 17 -5.011 -5.032 6.327 117 1HB ARG 17 HB2 ARG 17 -4.661 -4.777 3.437 118 2HB ARG 17 HB1 ARG 17 -6.350 -4.903 3.910 119 1HG ARG 17 HG2 ARG 17 -4.702 -3.028 5.480 120 2HG ARG 17 HG1 ARG 17 -5.005 -2.588 3.798 121 1HD ARG 17 HD2 ARG 17 -7.091 -3.251 5.874 122 2HD ARG 17 HD1 ARG 17 -6.707 -1.644 5.260 123 HE ARG 17 HE ARG 17 -7.409 -3.386 3.138 124 1HH1 ARG 17 HH11 ARG 17 -8.798 -1.559 5.767 125 2HH1 ARG 17 HH12 ARG 17 -10.336 -1.375 4.992 126 1HH2 ARG 17 HH21 ARG 17 -9.431 -3.145 2.118 127 2HH2 ARG 17 HH22 ARG 17 -10.695 -2.276 2.920 128 H LEU 18 HN LEU 18 -4.813 -7.767 4.143 129 HA LEU 18 HA LEU 18 -7.447 -8.684 4.359 130 1HB LEU 18 HB2 LEU 18 -6.712 -10.282 2.962 131 2HB LEU 18 HB1 LEU 18 -5.173 -9.455 3.010 132 HG LEU 18 HG LEU 18 -4.602 -10.949 4.983 133 1HD1 LEU 18 HD11 LEU 18 -6.042 -13.210 4.385 134 2HD1 LEU 18 HD12 LEU 18 -7.260 -11.936 4.314 135 3HD1 LEU 18 HD13 LEU 18 -6.303 -12.161 5.779 136 1HD2 LEU 18 HD21 LEU 18 -3.343 -11.843 3.388 137 2HD2 LEU 18 HD22 LEU 18 -4.527 -11.412 2.155 138 3HD2 LEU 18 HD23 LEU 18 -4.666 -12.946 3.012 139 H GLY 19 HN GLY 19 -4.808 -8.802 6.565 140 1HA GLY 19 HA2 GLY 19 -6.251 -10.733 8.245 141 2HA GLY 19 HA1 GLY 19 -4.542 -10.356 8.384 142 H GLY 20 HN GLY 20 -6.730 -7.725 7.909 143 1HA GLY 20 HA2 GLY 20 -7.441 -6.045 9.304 144 2HA GLY 20 HA1 GLY 20 -7.378 -7.215 10.615 145 H GLY 21 HN GLY 21 -5.045 -5.539 8.517 146 1HA GLY 21 HA2 GLY 21 -3.533 -4.829 10.942 147 2HA GLY 21 HA1 GLY 21 -2.743 -5.343 9.458 148 H SER 22 HN SER 22 -3.423 -2.761 11.251 149 HA SER 22 HA SER 22 -4.461 -0.721 9.839 150 1HB SER 22 HB2 SER 22 -1.865 0.020 11.008 151 2HB SER 22 HB1 SER 22 -3.479 0.638 11.354 152 HG SER 22 HG SER 22 -3.834 -1.076 12.715 153 H ARG 23 HN ARG 23 -3.607 0.965 8.494 154 HA ARG 23 HA ARG 23 -2.289 0.000 6.218 155 1HB ARG 23 HB2 ARG 23 -3.472 2.491 7.126 156 2HB ARG 23 HB1 ARG 23 -2.051 2.763 6.134 157 1HG ARG 23 HG2 ARG 23 -3.216 2.360 4.297 158 2HG ARG 23 HG1 ARG 23 -3.662 0.762 4.899 159 1HD ARG 23 HD2 ARG 23 -5.107 3.369 5.319 160 2HD ARG 23 HD1 ARG 23 -5.682 1.939 4.464 161 HE ARG 23 HE ARG 23 -5.187 1.101 7.031 162 1HH1 ARG 23 HH11 ARG 23 -7.204 3.526 5.537 163 2HH1 ARG 23 HH12 ARG 23 -8.422 3.450 6.766 164 1HH2 ARG 23 HH21 ARG 23 -6.787 1.000 8.648 165 2HH2 ARG 23 HH22 ARG 23 -8.185 2.017 8.533 166 H GLU 24 HN GLU 24 -1.173 1.785 9.003 167 HA GLU 24 HA GLU 24 1.416 2.365 7.985 168 1HB GLU 24 HB2 GLU 24 0.898 2.168 10.920 169 2HB GLU 24 HB1 GLU 24 1.839 3.357 10.028 170 1HG GLU 24 HG2 GLU 24 -0.429 4.089 9.051 171 2HG GLU 24 HG1 GLU 24 -1.121 3.195 10.404 172 H ARG 25 HN ARG 25 0.092 -0.267 9.924 173 HA ARG 25 HA ARG 25 2.449 -1.462 10.772 174 1HB ARG 25 HB2 ARG 25 -0.065 -2.060 11.219 175 2HB ARG 25 HB1 ARG 25 0.152 -3.152 9.858 176 1HG ARG 25 HG2 ARG 25 2.058 -4.187 11.053 177 2HG ARG 25 HG1 ARG 25 1.701 -3.155 12.439 178 1HD ARG 25 HD2 ARG 25 -0.734 -4.226 11.982 179 2HD ARG 25 HD1 ARG 25 0.299 -5.547 11.439 180 HE ARG 25 HE ARG 25 0.837 -5.956 13.619 181 1HH1 ARG 25 HH11 ARG 25 -0.460 -2.724 13.391 182 2HH1 ARG 25 HH12 ARG 25 -0.473 -2.475 15.104 183 1HH2 ARG 25 HH21 ARG 25 0.819 -5.629 15.873 184 2HH2 ARG 25 HH22 ARG 25 0.252 -4.123 16.513 185 H CYS 26 HN CYS 26 0.646 -1.998 7.769 186 HA CYS 26 HA CYS 26 2.532 -3.861 6.716 187 1HB CYS 26 HB2 CYS 26 0.975 -2.449 4.688 188 2HB CYS 26 HB1 CYS 26 1.064 -4.163 5.044 189 H ALA 27 HN ALA 27 2.036 -0.396 6.437 190 HA ALA 27 HA ALA 27 3.761 0.217 4.360 191 1HB ALA 27 HB1 ALA 27 3.381 1.847 6.870 192 2HB ALA 27 HB2 ALA 27 2.266 1.830 5.504 193 3HB ALA 27 HB3 ALA 27 3.909 2.436 5.292 194 H SER 28 HN SER 28 4.498 -0.220 7.804 195 HA SER 28 HA SER 28 7.251 0.369 7.599 196 1HB SER 28 HB2 SER 28 7.446 -0.655 9.813 197 2HB SER 28 HB1 SER 28 6.017 0.375 9.745 198 HG SER 28 HG SER 28 4.992 -1.336 10.384 199 H LEU 29 HN LEU 29 5.362 -2.486 7.006 200 HA LEU 29 HA LEU 29 7.496 -4.364 7.045 201 1HB LEU 29 HB2 LEU 29 4.810 -4.581 6.996 202 2HB LEU 29 HB1 LEU 29 5.156 -4.871 5.304 203 HG LEU 29 HG LEU 29 4.977 -6.952 6.622 204 1HD1 LEU 29 HD11 LEU 29 6.577 -8.010 5.415 205 2HD1 LEU 29 HD12 LEU 29 7.834 -6.856 5.858 206 3HD1 LEU 29 HD13 LEU 29 6.651 -6.438 4.617 207 1HD2 LEU 29 HD21 LEU 29 6.450 -7.515 8.339 208 2HD2 LEU 29 HD22 LEU 29 6.025 -5.838 8.681 209 3HD2 LEU 29 HD23 LEU 29 7.574 -6.219 7.929 210 H SER 30 HN SER 30 5.631 -3.089 4.283 211 HA SER 30 HA SER 30 7.851 -3.747 2.514 212 1HB SER 30 HB2 SER 30 4.950 -3.275 2.174 213 2HB SER 30 HB1 SER 30 5.979 -2.733 0.849 214 HG SER 30 HG SER 30 6.825 -4.838 0.731 215 H GLY 31 HN GLY 31 5.620 -0.965 2.587 216 1HA GLY 31 HA2 GLY 31 6.829 1.187 3.266 217 2HA GLY 31 HA1 GLY 31 7.929 0.751 1.970 218 H CYS 32 HN CYS 32 4.408 0.455 2.009 219 HA CYS 32 HA CYS 32 4.199 1.736 -0.535 220 1HB CYS 32 HB2 CYS 32 2.090 0.832 1.435 221 2HB CYS 32 HB1 CYS 32 1.758 1.408 -0.188 222 H LYS 33 HN LYS 33 2.035 3.314 -0.498 223 HA LYS 33 HA LYS 33 2.519 5.395 1.509 224 1HB LYS 33 HB2 LYS 33 3.103 5.549 -1.332 225 2HB LYS 33 HB1 LYS 33 1.972 6.800 -0.834 226 1HG LYS 33 HG2 LYS 33 4.677 6.277 0.379 227 2HG LYS 33 HG1 LYS 33 4.263 7.593 -0.720 228 1HD LYS 33 HD2 LYS 33 3.887 8.779 1.145 229 2HD LYS 33 HD1 LYS 33 2.377 7.871 1.240 230 1HE LYS 33 HE2 LYS 33 3.084 6.624 2.981 231 2HE LYS 33 HE1 LYS 33 4.736 6.526 2.373 232 1HZ LYS 33 HZ1 LYS 33 5.322 8.481 3.385 233 2HZ LYS 33 HZ2 LYS 33 4.212 7.877 4.509 234 3HZ LYS 33 HZ3 LYS 33 3.742 9.084 3.422 235 H ILE 34 HN ILE 34 0.760 6.818 1.867 236 HA ILE 34 HA ILE 34 -1.817 5.636 1.157 237 HB ILE 34 HB ILE 34 -1.384 7.852 3.145 238 1HG1 ILE 34 HG12 ILE 34 0.064 6.034 3.838 239 2HG1 ILE 34 HG11 ILE 34 -1.342 6.084 4.895 240 1HG2 ILE 34 HG21 ILE 34 -3.567 5.842 2.663 241 2HG2 ILE 34 HG22 ILE 34 -3.664 7.600 2.571 242 3HG2 ILE 34 HG23 ILE 34 -3.458 6.809 4.133 243 1HD1 ILE 34 HD11 ILE 34 -1.794 3.976 4.426 244 2HD1 ILE 34 HD12 ILE 34 -0.342 3.907 3.428 245 3HD1 ILE 34 HD13 ILE 34 -1.888 4.347 2.704 246 H ILE 35 HN ILE 35 -3.017 6.512 -0.391 247 HA ILE 35 HA ILE 35 -2.838 9.409 -0.849 248 HB ILE 35 HB ILE 35 -3.269 7.778 -3.276 249 1HG1 ILE 35 HG12 ILE 35 -0.609 7.872 -1.840 250 2HG1 ILE 35 HG11 ILE 35 -1.495 6.447 -2.370 251 1HG2 ILE 35 HG21 ILE 35 -2.917 10.397 -2.793 252 2HG2 ILE 35 HG22 ILE 35 -2.510 9.632 -4.329 253 3HG2 ILE 35 HG23 ILE 35 -1.251 9.930 -3.130 254 1HD1 ILE 35 HD11 ILE 35 0.463 6.963 -3.768 255 2HD1 ILE 35 HD12 ILE 35 -0.288 8.495 -4.212 256 3HD1 ILE 35 HD13 ILE 35 -1.050 6.973 -4.673 257 H SER 36 HN SER 36 -4.655 9.224 -3.154 258 HA SER 36 HA SER 36 -7.103 8.139 -2.012 259 1HB SER 36 HB2 SER 36 -6.947 11.029 -2.892 260 2HB SER 36 HB1 SER 36 -8.320 10.210 -2.148 261 HG SER 36 HG SER 36 -6.220 11.421 -0.973 262 H ALA 37 HN ALA 37 -8.734 7.762 -3.536 263 HA ALA 37 HA ALA 37 -9.673 7.417 -5.590 264 1HB ALA 37 HB1 ALA 37 -9.372 8.945 -7.225 265 2HB ALA 37 HB2 ALA 37 -7.613 8.853 -7.139 266 3HB ALA 37 HB3 ALA 37 -8.505 9.813 -5.959 267 H SER 38 HN SER 38 -6.793 6.324 -4.540 268 HA SER 38 HA SER 38 -5.649 4.416 -4.990 269 1HB SER 38 HB2 SER 38 -8.001 4.071 -6.520 270 2HB SER 38 HB1 SER 38 -6.654 3.640 -7.571 271 HG SER 38 HG SER 38 -7.130 2.619 -4.962 272 H THR 39 HN THR 39 -6.296 6.218 -8.009 273 HA THR 39 HA THR 39 -4.129 5.641 -9.506 274 HB THR 39 HB THR 39 -4.926 8.514 -9.164 275 HG1 THR 39 HG1 THR 39 -6.892 7.651 -9.277 276 1HG2 THR 39 HG21 THR 39 -4.599 7.034 -11.738 277 2HG2 THR 39 HG22 THR 39 -3.207 7.706 -10.887 278 3HG2 THR 39 HG23 THR 39 -4.509 8.767 -11.427 279 H CYS 40 HN CYS 40 -1.995 5.773 -9.344 280 HA CYS 40 HA CYS 40 -0.839 7.067 -7.025 281 1HB CYS 40 HB2 CYS 40 0.290 5.246 -9.149 282 2HB CYS 40 HB1 CYS 40 1.289 5.981 -7.897 283 HA PRO 41 HA PRO 41 0.064 10.804 -9.279 284 1HB PRO 41 HB2 PRO 41 1.793 11.858 -7.427 285 2HB PRO 41 HB1 PRO 41 0.034 11.946 -7.309 286 1HG PRO 41 HG2 PRO 41 1.927 10.045 -5.985 287 2HG PRO 41 HG1 PRO 41 0.505 10.862 -5.313 288 1HD PRO 41 HD2 PRO 41 0.427 8.291 -6.080 289 2HD PRO 41 HD1 PRO 41 -0.968 9.369 -6.284 290 H SER 42 HN SER 42 3.031 10.070 -7.480 291 HA SER 42 HA SER 42 4.881 10.886 -9.247 292 1HB SER 42 HB2 SER 42 4.870 8.753 -7.188 293 2HB SER 42 HB1 SER 42 6.211 8.733 -8.331 294 HG SER 42 HG SER 42 6.413 11.051 -7.771 295 H ASP 43 HN ASP 43 4.622 7.363 -9.055 296 HA ASP 43 HA ASP 43 3.793 6.921 -11.702 297 1HB ASP 43 HB2 ASP 43 6.178 7.997 -11.911 298 2HB ASP 43 HB1 ASP 43 6.731 6.384 -11.471 299 H TYR 44 HN TYR 44 3.436 5.854 -9.029 300 HA TYR 44 HA TYR 44 4.727 3.287 -8.958 301 1HB TYR 44 HB2 TYR 44 2.441 4.415 -7.342 302 2HB TYR 44 HB1 TYR 44 3.177 2.853 -7.045 303 HD1 TYR 44 HD1 TYR 44 5.694 5.092 -8.093 304 HD2 TYR 44 HD2 TYR 44 3.303 4.085 -4.718 305 HE1 TYR 44 HE1 TYR 44 7.338 6.163 -6.614 306 HE2 TYR 44 HE2 TYR 44 4.943 5.154 -3.233 307 HH TYR 44 HH TYR 44 8.024 5.930 -4.147 308 HA PRO 45 HA PRO 45 2.015 1.023 -11.565 309 1HB PRO 45 HB2 PRO 45 2.207 -1.242 -9.684 310 2HB PRO 45 HB1 PRO 45 2.695 -1.141 -11.378 311 1HG PRO 45 HG2 PRO 45 4.507 -1.190 -9.409 312 2HG PRO 45 HG1 PRO 45 4.751 -0.213 -10.868 313 1HD PRO 45 HD2 PRO 45 3.868 0.644 -8.139 314 2HD PRO 45 HD1 PRO 45 4.992 1.438 -9.262 315 H LYS 46 HN LYS 46 1.264 1.088 -8.124 316 HA LYS 46 HA LYS 46 -1.313 -0.064 -8.378 317 1HB LYS 46 HB2 LYS 46 -0.140 -0.023 -6.247 318 2HB LYS 46 HB1 LYS 46 -0.206 1.728 -6.243 319 1HG LYS 46 HG2 LYS 46 -1.879 0.553 -4.780 320 2HG LYS 46 HG1 LYS 46 -2.533 1.754 -5.894 321 1HD LYS 46 HD2 LYS 46 -3.039 -0.132 -7.473 322 2HD LYS 46 HD1 LYS 46 -2.585 -1.247 -6.183 323 1HE LYS 46 HE2 LYS 46 -4.786 -1.157 -5.702 324 2HE LYS 46 HE1 LYS 46 -4.327 0.323 -4.862 325 1HZ LYS 46 HZ1 LYS 46 -5.020 1.622 -6.705 326 2HZ LYS 46 HZ2 LYS 46 -6.275 0.540 -6.373 327 3HZ LYS 46 HZ3 LYS 46 -5.243 0.259 -7.682 Start of MODEL 5 1 1H LYS 1 HT1 LYS 1 -8.418 4.930 -5.201 2 2H LYS 1 HT2 LYS 1 -7.177 5.834 -4.435 3 3H LYS 1 HT3 LYS 1 -8.281 4.921 -3.492 4 HA LYS 1 HA LYS 1 -7.406 2.926 -4.156 5 1HB LYS 1 HB2 LYS 1 -6.756 4.474 -6.499 6 2HB LYS 1 HB1 LYS 1 -5.334 3.591 -5.960 7 1HG LYS 1 HG2 LYS 1 -7.852 2.058 -6.064 8 2HG LYS 1 HG1 LYS 1 -7.178 2.571 -7.613 9 1HD LYS 1 HD2 LYS 1 -5.707 1.024 -5.480 10 2HD LYS 1 HD1 LYS 1 -6.377 0.345 -6.965 11 1HE LYS 1 HE2 LYS 1 -4.886 2.303 -8.016 12 2HE LYS 1 HE1 LYS 1 -3.959 2.002 -6.549 13 1HZ LYS 1 HZ1 LYS 1 -4.382 0.275 -8.867 14 2HZ LYS 1 HZ2 LYS 1 -4.286 -0.479 -7.357 15 3HZ LYS 1 HZ3 LYS 1 -3.005 0.477 -7.905 16 H SER 2 HN SER 2 -4.775 2.377 -4.365 17 HA SER 2 HA SER 2 -3.541 3.965 -2.249 18 1HB SER 2 HB2 SER 2 -4.091 1.174 -2.356 19 2HB SER 2 HB1 SER 2 -2.348 1.414 -2.305 20 HG SER 2 HG SER 2 -4.155 1.699 -0.337 21 H CYS 3 HN CYS 3 -1.084 3.504 -2.182 22 HA CYS 3 HA CYS 3 -0.005 3.444 -4.911 23 1HB CYS 3 HB2 CYS 3 -0.397 5.809 -3.653 24 2HB CYS 3 HB1 CYS 3 1.230 5.428 -3.102 25 H CYS 4 HN CYS 4 1.213 1.619 -4.796 26 HA CYS 4 HA CYS 4 3.321 1.538 -2.737 27 1HB CYS 4 HB2 CYS 4 1.472 -0.117 -2.297 28 2HB CYS 4 HB1 CYS 4 1.927 -0.905 -3.800 29 HA PRO 5 HA PRO 5 6.333 1.351 -5.869 30 1HB PRO 5 HB2 PRO 5 7.519 -1.072 -4.841 31 2HB PRO 5 HB1 PRO 5 8.139 0.576 -4.762 32 1HG PRO 5 HG2 PRO 5 6.632 -0.956 -2.751 33 2HG PRO 5 HG1 PRO 5 7.684 0.452 -2.536 34 1HD PRO 5 HD2 PRO 5 5.016 0.626 -2.265 35 2HD PRO 5 HD1 PRO 5 5.969 1.952 -2.954 36 H ASN 6 HN ASN 6 5.691 -2.071 -5.081 37 HA ASN 6 HA ASN 6 4.470 -2.487 -7.671 38 1HB ASN 6 HB2 ASN 6 7.097 -3.835 -7.015 39 2HB ASN 6 HB1 ASN 6 6.105 -4.145 -8.435 40 1HD2 ASN 6 HD21 ASN 6 8.482 -2.164 -7.015 41 2HD2 ASN 6 HD22 ASN 6 8.682 -1.061 -8.330 42 H THR 7 HN THR 7 4.406 -5.082 -7.981 43 HA THR 7 HA THR 7 2.521 -6.063 -6.263 44 HB THR 7 HB THR 7 2.875 -8.215 -7.214 45 HG1 THR 7 HG1 THR 7 4.830 -8.697 -8.317 46 1HG2 THR 7 HG21 THR 7 3.981 -6.793 -9.523 47 2HG2 THR 7 HG22 THR 7 2.536 -6.069 -8.818 48 3HG2 THR 7 HG23 THR 7 2.506 -7.745 -9.367 49 H THR 8 HN THR 8 6.031 -6.331 -5.952 50 HA THR 8 HA THR 8 6.170 -8.181 -3.881 51 HB THR 8 HB THR 8 8.232 -6.597 -3.230 52 HG1 THR 8 HG1 THR 8 7.377 -5.025 -4.821 53 1HG2 THR 8 HG21 THR 8 8.247 -8.914 -4.288 54 2HG2 THR 8 HG22 THR 8 9.623 -7.858 -4.607 55 3HG2 THR 8 HG23 THR 8 8.372 -8.070 -5.831 56 H GLY 9 HN GLY 9 5.686 -4.682 -3.765 57 1HA GLY 9 HA2 GLY 9 5.477 -4.690 -0.868 58 2HA GLY 9 HA1 GLY 9 5.292 -3.295 -1.927 59 H ARG 10 HN ARG 10 3.427 -4.503 -3.693 60 HA ARG 10 HA ARG 10 0.992 -3.812 -2.543 61 1HB ARG 10 HB2 ARG 10 1.886 -4.676 -5.043 62 2HB ARG 10 HB1 ARG 10 0.686 -5.869 -4.561 63 1HG ARG 10 HG2 ARG 10 -0.671 -4.372 -5.575 64 2HG ARG 10 HG1 ARG 10 -0.680 -3.694 -3.943 65 1HD ARG 10 HD2 ARG 10 0.040 -1.791 -4.824 66 2HD ARG 10 HD1 ARG 10 1.565 -2.601 -5.162 67 HE ARG 10 HE ARG 10 -0.576 -2.856 -7.106 68 1HH1 ARG 10 HH11 ARG 10 2.461 -1.380 -6.222 69 2HH1 ARG 10 HH12 ARG 10 2.845 -0.909 -7.843 70 1HH2 ARG 10 HH21 ARG 10 -0.069 -2.233 -9.239 71 2HH2 ARG 10 HH22 ARG 10 1.410 -1.390 -9.553 72 H ASN 11 HN ASN 11 2.680 -6.876 -2.767 73 HA ASN 11 HA ASN 11 0.659 -8.582 -1.891 74 1HB ASN 11 HB2 ASN 11 3.658 -8.690 -1.839 75 2HB ASN 11 HB1 ASN 11 2.701 -9.970 -1.118 76 1HD2 ASN 11 HD21 ASN 11 4.420 -9.404 -3.685 77 2HD2 ASN 11 HD22 ASN 11 3.518 -10.222 -4.910 78 H ILE 12 HN ILE 12 3.290 -7.085 0.025 79 HA ILE 12 HA ILE 12 2.389 -8.119 2.469 80 HB ILE 12 HB ILE 12 4.023 -5.641 1.946 81 1HG1 ILE 12 HG12 ILE 12 5.709 -7.446 3.046 82 2HG1 ILE 12 HG11 ILE 12 4.609 -8.528 2.196 83 1HG2 ILE 12 HG21 ILE 12 4.754 -6.223 4.405 84 2HG2 ILE 12 HG22 ILE 12 3.140 -6.930 4.481 85 3HG2 ILE 12 HG23 ILE 12 3.336 -5.221 4.092 86 1HD1 ILE 12 HD11 ILE 12 6.740 -6.959 1.163 87 2HD1 ILE 12 HD12 ILE 12 5.225 -6.445 0.421 88 3HD1 ILE 12 HD13 ILE 12 5.720 -8.136 0.338 89 H TYR 13 HN TYR 13 1.801 -4.910 1.022 90 HA TYR 13 HA TYR 13 0.215 -4.026 3.172 91 1HB TYR 13 HB2 TYR 13 1.343 -2.786 1.110 92 2HB TYR 13 HB1 TYR 13 -0.275 -2.965 0.449 93 HD1 TYR 13 HD1 TYR 13 -2.163 -2.384 2.353 94 HD2 TYR 13 HD2 TYR 13 1.767 -0.774 2.129 95 HE1 TYR 13 HE1 TYR 13 -2.891 -0.440 3.669 96 HE2 TYR 13 HE2 TYR 13 1.049 1.175 3.443 97 HH TYR 13 HH TYR 13 -2.258 1.820 4.115 98 H ASN 14 HN ASN 14 -0.562 -5.705 0.169 99 HA ASN 14 HA ASN 14 -3.364 -5.475 0.428 100 1HB ASN 14 HB2 ASN 14 -1.519 -7.164 -1.209 101 2HB ASN 14 HB1 ASN 14 -3.222 -7.567 -1.138 102 1HD2 ASN 14 HD21 ASN 14 -1.399 -4.510 -1.340 103 2HD2 ASN 14 HD22 ASN 14 -2.255 -3.901 -2.714 104 H THR 15 HN THR 15 -1.105 -8.182 1.197 105 HA THR 15 HA THR 15 -3.210 -9.760 2.294 106 HB THR 15 HB THR 15 -1.274 -10.919 1.544 107 HG1 THR 15 HG1 THR 15 -1.318 -12.273 3.142 108 1HG2 THR 15 HG21 THR 15 0.810 -10.229 1.808 109 2HG2 THR 15 HG22 THR 15 0.649 -10.319 3.562 110 3HG2 THR 15 HG23 THR 15 0.210 -8.839 2.712 111 H CYS 16 HN CYS 16 -0.849 -7.537 3.670 112 HA CYS 16 HA CYS 16 -1.275 -7.970 6.371 113 1HB CYS 16 HB2 CYS 16 0.433 -6.450 5.813 114 2HB CYS 16 HB1 CYS 16 -0.617 -5.515 4.760 115 H ARG 17 HN ARG 17 -2.948 -5.684 4.217 116 HA ARG 17 HA ARG 17 -4.927 -4.893 6.049 117 1HB ARG 17 HB2 ARG 17 -4.429 -4.636 3.174 118 2HB ARG 17 HB1 ARG 17 -6.139 -4.698 3.577 119 1HG ARG 17 HG2 ARG 17 -4.429 -2.883 5.176 120 2HG ARG 17 HG1 ARG 17 -4.772 -2.428 3.507 121 1HD ARG 17 HD2 ARG 17 -7.086 -3.350 5.079 122 2HD ARG 17 HD1 ARG 17 -6.368 -1.828 5.604 123 HE ARG 17 HE ARG 17 -6.846 -1.960 2.774 124 1HH1 ARG 17 HH11 ARG 17 -8.252 -1.205 5.878 125 2HH1 ARG 17 HH12 ARG 17 -9.451 -0.143 5.216 126 1HH2 ARG 17 HH21 ARG 17 -8.419 -0.565 1.903 127 2HH2 ARG 17 HH22 ARG 17 -9.545 0.219 2.959 128 H LEU 18 HN LEU 18 -4.683 -7.606 3.825 129 HA LEU 18 HA LEU 18 -7.349 -8.462 3.960 130 1HB LEU 18 HB2 LEU 18 -6.612 -10.006 2.500 131 2HB LEU 18 HB1 LEU 18 -5.049 -9.245 2.639 132 HG LEU 18 HG LEU 18 -4.542 -10.847 4.502 133 1HD1 LEU 18 HD11 LEU 18 -6.270 -11.995 5.330 134 2HD1 LEU 18 HD12 LEU 18 -6.166 -12.993 3.879 135 3HD1 LEU 18 HD13 LEU 18 -7.282 -11.629 3.933 136 1HD2 LEU 18 HD21 LEU 18 -4.918 -12.731 2.378 137 2HD2 LEU 18 HD22 LEU 18 -3.434 -11.953 2.926 138 3HD2 LEU 18 HD23 LEU 18 -4.442 -11.170 1.711 139 H GLY 19 HN GLY 19 -4.759 -8.656 6.209 140 1HA GLY 19 HA2 GLY 19 -6.277 -10.582 7.831 141 2HA GLY 19 HA1 GLY 19 -4.554 -10.278 7.990 142 H GLY 20 HN GLY 20 -6.613 -7.544 7.531 143 1HA GLY 20 HA2 GLY 20 -7.283 -5.866 8.950 144 2HA GLY 20 HA1 GLY 20 -7.256 -7.052 10.247 145 H GLY 21 HN GLY 21 -4.902 -5.383 8.169 146 1HA GLY 21 HA2 GLY 21 -3.310 -4.838 10.583 147 2HA GLY 21 HA1 GLY 21 -2.588 -5.234 9.031 148 H SER 22 HN SER 22 -3.133 -2.805 11.046 149 HA SER 22 HA SER 22 -4.225 -0.644 9.874 150 1HB SER 22 HB2 SER 22 -1.577 0.039 10.907 151 2HB SER 22 HB1 SER 22 -3.172 0.543 11.463 152 HG SER 22 HG SER 22 -3.319 -1.265 12.703 153 H ARG 23 HN ARG 23 -3.524 1.085 8.593 154 HA ARG 23 HA ARG 23 -2.350 0.345 6.170 155 1HB ARG 23 HB2 ARG 23 -3.365 2.248 5.585 156 2HB ARG 23 HB1 ARG 23 -3.627 2.634 7.275 157 1HG ARG 23 HG2 ARG 23 -1.445 3.742 7.360 158 2HG ARG 23 HG1 ARG 23 -1.192 3.362 5.656 159 1HD ARG 23 HD2 ARG 23 -3.430 4.592 5.285 160 2HD ARG 23 HD1 ARG 23 -3.161 5.249 6.899 161 HE ARG 23 HE ARG 23 -0.892 5.569 5.186 162 1HH1 ARG 23 HH11 ARG 23 -3.990 6.922 6.051 163 2HH1 ARG 23 HH12 ARG 23 -3.575 8.522 5.538 164 1HH2 ARG 23 HH21 ARG 23 -0.344 7.674 4.511 165 2HH2 ARG 23 HH22 ARG 23 -1.505 8.950 4.664 166 H GLU 24 HN GLU 24 -1.051 2.044 8.946 167 HA GLU 24 HA GLU 24 1.496 2.554 7.784 168 1HB GLU 24 HB2 GLU 24 1.113 2.419 10.744 169 2HB GLU 24 HB1 GLU 24 2.056 3.557 9.791 170 1HG GLU 24 HG2 GLU 24 -0.216 4.365 8.900 171 2HG GLU 24 HG1 GLU 24 -0.892 3.507 10.284 172 H ARG 25 HN ARG 25 0.201 -0.070 9.726 173 HA ARG 25 HA ARG 25 2.572 -1.277 10.528 174 1HB ARG 25 HB2 ARG 25 0.171 -1.904 11.146 175 2HB ARG 25 HB1 ARG 25 0.138 -2.824 9.648 176 1HG ARG 25 HG2 ARG 25 2.396 -3.796 10.712 177 2HG ARG 25 HG1 ARG 25 1.524 -3.382 12.189 178 1HD ARG 25 HD2 ARG 25 -0.459 -4.606 10.993 179 2HD ARG 25 HD1 ARG 25 0.834 -5.358 10.061 180 HE ARG 25 HE ARG 25 1.381 -5.519 12.834 181 1HH1 ARG 25 HH11 ARG 25 -0.642 -6.909 10.354 182 2HH1 ARG 25 HH12 ARG 25 -0.809 -8.428 11.168 183 1HH2 ARG 25 HH21 ARG 25 1.163 -7.517 13.906 184 2HH2 ARG 25 HH22 ARG 25 0.215 -8.773 13.184 185 H CYS 26 HN CYS 26 0.667 -1.883 7.600 186 HA CYS 26 HA CYS 26 2.593 -3.662 6.477 187 1HB CYS 26 HB2 CYS 26 0.873 -2.388 4.499 188 2HB CYS 26 HB1 CYS 26 1.051 -4.084 4.909 189 H ALA 27 HN ALA 27 1.891 -0.227 6.127 190 HA ALA 27 HA ALA 27 3.566 0.319 3.955 191 1HB ALA 27 HB1 ALA 27 1.840 1.825 5.161 192 2HB ALA 27 HB2 ALA 27 3.270 2.566 4.442 193 3HB ALA 27 HB3 ALA 27 3.203 2.286 6.181 194 H SER 28 HN SER 28 4.252 0.141 7.414 195 HA SER 28 HA SER 28 6.935 1.044 7.211 196 1HB SER 28 HB2 SER 28 5.756 1.168 9.336 197 2HB SER 28 HB1 SER 28 5.558 -0.583 9.360 198 HG SER 28 HG SER 28 7.490 -0.748 10.152 199 H LEU 29 HN LEU 29 5.358 -2.045 6.898 200 HA LEU 29 HA LEU 29 7.686 -3.660 7.120 201 1HB LEU 29 HB2 LEU 29 5.012 -4.154 7.062 202 2HB LEU 29 HB1 LEU 29 5.475 -4.661 5.450 203 HG LEU 29 HG LEU 29 6.942 -5.675 7.866 204 1HD1 LEU 29 HD11 LEU 29 4.297 -6.554 6.782 205 2HD1 LEU 29 HD12 LEU 29 4.809 -6.349 8.457 206 3HD1 LEU 29 HD13 LEU 29 5.398 -7.720 7.516 207 1HD2 LEU 29 HD21 LEU 29 6.467 -7.306 5.455 208 2HD2 LEU 29 HD22 LEU 29 7.914 -7.139 6.449 209 3HD2 LEU 29 HD23 LEU 29 7.518 -5.906 5.252 210 H SER 30 HN SER 30 5.733 -2.805 4.249 211 HA SER 30 HA SER 30 7.946 -3.557 2.526 212 1HB SER 30 HB2 SER 30 5.054 -3.111 2.188 213 2HB SER 30 HB1 SER 30 6.046 -2.575 0.832 214 HG SER 30 HG SER 30 6.984 -4.689 0.834 215 H GLY 31 HN GLY 31 5.817 -0.680 2.649 216 1HA GLY 31 HA2 GLY 31 7.064 1.461 3.104 217 2HA GLY 31 HA1 GLY 31 8.174 0.915 1.860 218 H CYS 32 HN CYS 32 4.684 0.540 1.659 219 HA CYS 32 HA CYS 32 4.639 1.883 -0.865 220 1HB CYS 32 HB2 CYS 32 2.198 1.116 0.720 221 2HB CYS 32 HB1 CYS 32 2.400 1.179 -1.020 222 H LYS 33 HN LYS 33 2.001 3.080 -0.520 223 HA LYS 33 HA LYS 33 2.222 5.173 1.424 224 1HB LYS 33 HB2 LYS 33 3.450 5.548 -1.108 225 2HB LYS 33 HB1 LYS 33 2.003 6.546 -1.082 226 1HG LYS 33 HG2 LYS 33 4.188 6.590 0.988 227 2HG LYS 33 HG1 LYS 33 3.983 7.760 -0.317 228 1HD LYS 33 HD2 LYS 33 2.015 7.212 1.902 229 2HD LYS 33 HD1 LYS 33 3.075 8.617 1.777 230 1HE LYS 33 HE2 LYS 33 1.709 8.477 -0.661 231 2HE LYS 33 HE1 LYS 33 0.500 8.152 0.579 232 1HZ LYS 33 HZ1 LYS 33 0.963 10.571 -0.094 233 2HZ LYS 33 HZ2 LYS 33 2.353 10.428 0.859 234 3HZ LYS 33 HZ3 LYS 33 0.826 10.208 1.552 235 H ILE 34 HN ILE 34 0.228 5.934 1.906 236 HA ILE 34 HA ILE 34 -1.983 5.003 0.230 237 HB ILE 34 HB ILE 34 -2.284 6.166 2.984 238 1HG1 ILE 34 HG12 ILE 34 -0.705 4.388 3.294 239 2HG1 ILE 34 HG11 ILE 34 -2.280 3.782 3.796 240 1HG2 ILE 34 HG21 ILE 34 -3.986 4.001 1.878 241 2HG2 ILE 34 HG22 ILE 34 -4.175 5.623 1.215 242 3HG2 ILE 34 HG23 ILE 34 -4.408 5.344 2.940 243 1HD1 ILE 34 HD11 ILE 34 -0.571 2.464 2.175 244 2HD1 ILE 34 HD12 ILE 34 -1.599 3.265 0.991 245 3HD1 ILE 34 HD13 ILE 34 -2.315 2.208 2.204 246 H ILE 35 HN ILE 35 -3.259 6.343 -0.854 247 HA ILE 35 HA ILE 35 -2.883 9.236 -0.443 248 HB ILE 35 HB ILE 35 -4.143 8.403 -2.964 249 1HG1 ILE 35 HG12 ILE 35 -1.214 7.795 -2.506 250 2HG1 ILE 35 HG11 ILE 35 -2.479 6.579 -2.642 251 1HG2 ILE 35 HG21 ILE 35 -3.015 10.668 -1.996 252 2HG2 ILE 35 HG22 ILE 35 -3.253 10.326 -3.710 253 3HG2 ILE 35 HG23 ILE 35 -1.689 10.015 -2.958 254 1HD1 ILE 35 HD11 ILE 35 -2.447 8.439 -4.874 255 2HD1 ILE 35 HD12 ILE 35 -2.467 6.676 -4.861 256 3HD1 ILE 35 HD13 ILE 35 -0.940 7.542 -4.686 257 H SER 36 HN SER 36 -4.957 10.321 -1.708 258 HA SER 36 HA SER 36 -7.390 9.081 -0.662 259 1HB SER 36 HB2 SER 36 -8.129 11.270 0.263 260 2HB SER 36 HB1 SER 36 -6.709 10.622 1.081 261 HG SER 36 HG SER 36 -5.689 12.358 0.522 262 H ALA 37 HN ALA 37 -5.848 11.245 -2.887 263 HA ALA 37 HA ALA 37 -8.359 11.864 -4.227 264 1HB ALA 37 HB1 ALA 37 -7.006 13.757 -4.090 265 2HB ALA 37 HB2 ALA 37 -6.781 13.198 -5.747 266 3HB ALA 37 HB3 ALA 37 -5.550 12.864 -4.529 267 H SER 38 HN SER 38 -6.888 9.153 -4.198 268 HA SER 38 HA SER 38 -6.754 7.386 -5.620 269 1HB SER 38 HB2 SER 38 -8.632 9.104 -6.854 270 2HB SER 38 HB1 SER 38 -7.551 8.544 -8.130 271 HG SER 38 HG SER 38 -9.470 7.188 -6.775 272 H THR 39 HN THR 39 -6.028 10.232 -7.660 273 HA THR 39 HA THR 39 -4.062 9.165 -9.231 274 HB THR 39 HB THR 39 -4.774 11.348 -9.746 275 HG1 THR 39 HG1 THR 39 -2.711 11.411 -10.313 276 1HG2 THR 39 HG21 THR 39 -5.575 12.407 -7.895 277 2HG2 THR 39 HG22 THR 39 -4.040 13.251 -8.103 278 3HG2 THR 39 HG23 THR 39 -4.186 11.966 -6.902 279 H CYS 40 HN CYS 40 -1.980 8.572 -9.030 280 HA CYS 40 HA CYS 40 -0.847 8.555 -6.356 281 1HB CYS 40 HB2 CYS 40 -0.500 6.987 -8.811 282 2HB CYS 40 HB1 CYS 40 1.005 7.317 -7.961 283 HA PRO 41 HA PRO 41 1.635 12.173 -7.064 284 1HB PRO 41 HB2 PRO 41 3.543 11.606 -5.142 285 2HB PRO 41 HB1 PRO 41 2.002 12.408 -4.829 286 1HG PRO 41 HG2 PRO 41 2.766 9.550 -4.439 287 2HG PRO 41 HG1 PRO 41 1.747 10.589 -3.428 288 1HD PRO 41 HD2 PRO 41 0.696 8.742 -5.073 289 2HD PRO 41 HD1 PRO 41 -0.108 10.298 -4.778 290 H SER 42 HN SER 42 3.770 9.492 -6.099 291 HA SER 42 HA SER 42 5.769 10.226 -7.978 292 1HB SER 42 HB2 SER 42 6.633 9.161 -6.096 293 2HB SER 42 HB1 SER 42 5.378 7.924 -6.100 294 HG SER 42 HG SER 42 7.710 8.107 -7.645 295 H ASP 43 HN ASP 43 4.643 6.874 -7.842 296 HA ASP 43 HA ASP 43 3.229 6.782 -10.233 297 1HB ASP 43 HB2 ASP 43 6.123 6.948 -10.577 298 2HB ASP 43 HB1 ASP 43 5.425 5.535 -11.362 299 H TYR 44 HN TYR 44 3.292 5.472 -7.640 300 HA TYR 44 HA TYR 44 3.579 2.694 -8.551 301 1HB TYR 44 HB2 TYR 44 3.520 2.717 -5.724 302 2HB TYR 44 HB1 TYR 44 4.833 2.222 -6.775 303 HD1 TYR 44 HD1 TYR 44 3.508 4.860 -4.629 304 HD2 TYR 44 HD2 TYR 44 6.703 3.730 -7.199 305 HE1 TYR 44 HE1 TYR 44 4.889 6.664 -3.694 306 HE2 TYR 44 HE2 TYR 44 8.093 5.534 -6.274 307 HH TYR 44 HH TYR 44 8.092 6.837 -3.928 308 HA PRO 45 HA PRO 45 -0.909 3.434 -7.648 309 1HB PRO 45 HB2 PRO 45 -1.274 1.568 -9.886 310 2HB PRO 45 HB1 PRO 45 -1.929 3.191 -9.663 311 1HG PRO 45 HG2 PRO 45 -0.016 2.665 -11.481 312 2HG PRO 45 HG1 PRO 45 -0.091 4.209 -10.611 313 1HD PRO 45 HD2 PRO 45 1.676 1.839 -10.121 314 2HD PRO 45 HD1 PRO 45 2.075 3.570 -10.082 315 H LYS 46 HN LYS 46 -1.336 2.277 -5.845 316 HA LYS 46 HA LYS 46 -1.124 -0.645 -5.977 317 1HB LYS 46 HB2 LYS 46 0.238 0.072 -4.218 318 2HB LYS 46 HB1 LYS 46 -0.931 1.262 -3.687 319 1HG LYS 46 HG2 LYS 46 -2.433 -0.682 -3.073 320 2HG LYS 46 HG1 LYS 46 -1.029 -1.715 -3.334 321 1HD LYS 46 HD2 LYS 46 -0.068 -1.089 -1.406 322 2HD LYS 46 HD1 LYS 46 -0.503 0.607 -1.632 323 1HE LYS 46 HE2 LYS 46 -2.931 -0.418 -1.155 324 2HE LYS 46 HE1 LYS 46 -1.948 -1.558 -0.238 325 1HZ LYS 46 HZ1 LYS 46 -0.978 0.295 0.965 326 2HZ LYS 46 HZ2 LYS 46 -2.660 0.303 1.128 327 3HZ LYS 46 HZ3 LYS 46 -1.909 1.394 0.078 Start of MODEL 6 1 1H LYS 1 HT1 LYS 1 -6.313 2.084 -4.635 2 2H LYS 1 HT2 LYS 1 -6.636 3.758 -4.448 3 3H LYS 1 HT3 LYS 1 -7.893 2.610 -4.230 4 HA LYS 1 HA LYS 1 -7.103 3.439 -2.150 5 1HB LYS 1 HB2 LYS 1 -6.731 1.283 -1.119 6 2HB LYS 1 HB1 LYS 1 -7.981 1.182 -2.349 7 1HG LYS 1 HG2 LYS 1 -6.823 -0.280 -3.572 8 2HG LYS 1 HG1 LYS 1 -5.309 0.604 -3.355 9 1HD LYS 1 HD2 LYS 1 -5.200 -0.313 -1.037 10 2HD LYS 1 HD1 LYS 1 -6.595 -1.310 -1.436 11 1HE LYS 1 HE2 LYS 1 -4.015 -1.338 -2.984 12 2HE LYS 1 HE1 LYS 1 -4.360 -2.441 -1.653 13 1HZ LYS 1 HZ1 LYS 1 -5.484 -2.371 -4.351 14 2HZ LYS 1 HZ2 LYS 1 -6.505 -2.867 -3.097 15 3HZ LYS 1 HZ3 LYS 1 -5.062 -3.698 -3.391 16 H SER 2 HN SER 2 -4.986 1.452 -1.110 17 HA SER 2 HA SER 2 -2.972 3.125 -0.591 18 1HB SER 2 HB2 SER 2 -1.550 1.159 -0.168 19 2HB SER 2 HB1 SER 2 -3.183 0.931 0.455 20 HG SER 2 HG SER 2 -2.419 0.028 -2.111 21 H CYS 3 HN CYS 3 -0.655 3.054 -1.322 22 HA CYS 3 HA CYS 3 -0.479 2.741 -4.250 23 1HB CYS 3 HB2 CYS 3 -0.711 5.125 -3.656 24 2HB CYS 3 HB1 CYS 3 0.710 5.000 -2.627 25 H CYS 4 HN CYS 4 0.812 1.012 -4.491 26 HA CYS 4 HA CYS 4 3.268 0.869 -2.873 27 1HB CYS 4 HB2 CYS 4 1.587 -1.235 -4.201 28 2HB CYS 4 HB1 CYS 4 3.273 -1.555 -3.815 29 HA PRO 5 HA PRO 5 5.685 1.817 -6.456 30 1HB PRO 5 HB2 PRO 5 7.990 0.496 -5.801 31 2HB PRO 5 HB1 PRO 5 7.519 2.050 -5.103 32 1HG PRO 5 HG2 PRO 5 7.213 -0.704 -3.975 33 2HG PRO 5 HG1 PRO 5 7.730 0.786 -3.164 34 1HD PRO 5 HD2 PRO 5 5.230 -0.172 -2.908 35 2HD PRO 5 HD1 PRO 5 5.564 1.570 -2.951 36 H ASN 6 HN ASN 6 5.217 -1.489 -5.410 37 HA ASN 6 HA ASN 6 4.931 -2.391 -8.106 38 1HB ASN 6 HB2 ASN 6 7.454 -2.953 -6.614 39 2HB ASN 6 HB1 ASN 6 6.778 -4.233 -7.616 40 1HD2 ASN 6 HD21 ASN 6 8.872 -1.717 -7.584 41 2HD2 ASN 6 HD22 ASN 6 8.940 -1.372 -9.276 42 H THR 7 HN THR 7 4.696 -4.891 -8.107 43 HA THR 7 HA THR 7 2.574 -5.580 -6.450 44 HB THR 7 HB THR 7 2.809 -6.804 -8.450 45 HG1 THR 7 HG1 THR 7 2.151 -8.478 -7.400 46 1HG2 THR 7 HG21 THR 7 4.943 -8.471 -8.388 47 2HG2 THR 7 HG22 THR 7 5.627 -6.999 -7.699 48 3HG2 THR 7 HG23 THR 7 4.871 -6.957 -9.292 49 H THR 8 HN THR 8 6.017 -5.951 -5.977 50 HA THR 8 HA THR 8 6.042 -7.841 -3.930 51 HB THR 8 HB THR 8 8.118 -6.326 -3.193 52 HG1 THR 8 HG1 THR 8 7.345 -4.689 -4.758 53 1HG2 THR 8 HG21 THR 8 8.087 -8.614 -4.345 54 2HG2 THR 8 HG22 THR 8 9.515 -7.595 -4.539 55 3HG2 THR 8 HG23 THR 8 8.326 -7.704 -5.837 56 H GLY 9 HN GLY 9 5.262 -4.433 -3.873 57 1HA GLY 9 HA2 GLY 9 5.187 -4.363 -0.962 58 2HA GLY 9 HA1 GLY 9 4.849 -3.020 -2.047 59 H ARG 10 HN ARG 10 2.984 -4.344 -3.699 60 HA ARG 10 HA ARG 10 0.588 -3.844 -2.371 61 1HB ARG 10 HB2 ARG 10 0.452 -3.801 -4.706 62 2HB ARG 10 HB1 ARG 10 1.315 -5.318 -4.883 63 1HG ARG 10 HG2 ARG 10 -0.707 -6.152 -5.340 64 2HG ARG 10 HG1 ARG 10 -0.927 -6.148 -3.592 65 1HD ARG 10 HD2 ARG 10 -2.792 -4.996 -4.145 66 2HD ARG 10 HD1 ARG 10 -1.670 -3.638 -4.117 67 HE ARG 10 HE ARG 10 -2.103 -3.367 -6.328 68 1HH1 ARG 10 HH11 ARG 10 -2.651 -6.722 -5.537 69 2HH1 ARG 10 HH12 ARG 10 -3.159 -7.145 -7.137 70 1HH2 ARG 10 HH21 ARG 10 -2.770 -3.922 -8.433 71 2HH2 ARG 10 HH22 ARG 10 -3.227 -5.556 -8.781 72 H ASN 11 HN ASN 11 2.483 -6.769 -2.717 73 HA ASN 11 HA ASN 11 0.617 -8.638 -1.820 74 1HB ASN 11 HB2 ASN 11 3.616 -8.510 -1.843 75 2HB ASN 11 HB1 ASN 11 2.785 -9.863 -1.096 76 1HD2 ASN 11 HD21 ASN 11 4.293 -8.992 -3.784 77 2HD2 ASN 11 HD22 ASN 11 3.458 -9.950 -4.953 78 H ILE 12 HN ILE 12 3.266 -7.149 0.085 79 HA ILE 12 HA ILE 12 2.401 -8.185 2.530 80 HB ILE 12 HB ILE 12 3.971 -5.666 1.994 81 1HG1 ILE 12 HG12 ILE 12 5.746 -7.398 3.019 82 2HG1 ILE 12 HG11 ILE 12 4.641 -8.545 2.266 83 1HG2 ILE 12 HG21 ILE 12 3.118 -6.960 4.525 84 2HG2 ILE 12 HG22 ILE 12 3.371 -5.254 4.155 85 3HG2 ILE 12 HG23 ILE 12 4.754 -6.308 4.448 86 1HD1 ILE 12 HD11 ILE 12 5.472 -8.118 0.267 87 2HD1 ILE 12 HD12 ILE 12 6.711 -7.140 1.055 88 3HD1 ILE 12 HD13 ILE 12 5.228 -6.384 0.472 89 H TYR 13 HN TYR 13 1.702 -5.029 1.064 90 HA TYR 13 HA TYR 13 0.168 -4.030 3.171 91 1HB TYR 13 HB2 TYR 13 1.088 -2.995 0.906 92 2HB TYR 13 HB1 TYR 13 -0.542 -3.358 0.365 93 HD1 TYR 13 HD1 TYR 13 -2.477 -2.241 1.461 94 HD2 TYR 13 HD2 TYR 13 1.538 -1.207 2.405 95 HE1 TYR 13 HE1 TYR 13 -3.263 -0.150 2.488 96 HE2 TYR 13 HE2 TYR 13 0.764 0.885 3.436 97 HH TYR 13 HH TYR 13 -2.137 2.217 2.927 98 H ASN 14 HN ASN 14 -0.740 -5.908 0.314 99 HA ASN 14 HA ASN 14 -3.511 -5.886 0.798 100 1HB ASN 14 HB2 ASN 14 -1.669 -7.489 -0.926 101 2HB ASN 14 HB1 ASN 14 -3.338 -7.993 -0.737 102 1HD2 ASN 14 HD21 ASN 14 -1.878 -4.763 -0.956 103 2HD2 ASN 14 HD22 ASN 14 -2.800 -4.255 -2.324 104 H THR 15 HN THR 15 -1.099 -8.523 1.342 105 HA THR 15 HA THR 15 -2.967 -10.193 2.637 106 HB THR 15 HB THR 15 -1.026 -11.282 1.915 107 HG1 THR 15 HG1 THR 15 -0.647 -12.390 3.668 108 1HG2 THR 15 HG21 THR 15 0.356 -8.927 2.765 109 2HG2 THR 15 HG22 THR 15 0.914 -10.240 1.728 110 3HG2 THR 15 HG23 THR 15 1.105 -10.356 3.477 111 H CYS 16 HN CYS 16 -0.775 -7.720 3.838 112 HA CYS 16 HA CYS 16 -1.025 -8.074 6.568 113 1HB CYS 16 HB2 CYS 16 0.492 -6.425 5.883 114 2HB CYS 16 HB1 CYS 16 -0.672 -5.663 4.811 115 H ARG 17 HN ARG 17 -3.025 -6.043 4.432 116 HA ARG 17 HA ARG 17 -4.954 -5.341 6.346 117 1HB ARG 17 HB2 ARG 17 -4.659 -5.207 3.436 118 2HB ARG 17 HB1 ARG 17 -6.329 -5.399 3.951 119 1HG ARG 17 HG2 ARG 17 -4.732 -3.357 5.369 120 2HG ARG 17 HG1 ARG 17 -5.146 -3.023 3.687 121 1HD ARG 17 HD2 ARG 17 -7.145 -3.821 5.796 122 2HD ARG 17 HD1 ARG 17 -6.791 -2.152 5.353 123 HE ARG 17 HE ARG 17 -8.450 -3.972 3.939 124 1HH1 ARG 17 HH11 ARG 17 -6.206 -1.341 3.479 125 2HH1 ARG 17 HH12 ARG 17 -6.901 -0.846 1.973 126 1HH2 ARG 17 HH21 ARG 17 -9.367 -3.323 1.958 127 2HH2 ARG 17 HH22 ARG 17 -8.697 -1.970 1.109 128 H LEU 18 HN LEU 18 -4.592 -8.149 4.277 129 HA LEU 18 HA LEU 18 -7.155 -9.233 4.576 130 1HB LEU 18 HB2 LEU 18 -6.329 -10.819 3.217 131 2HB LEU 18 HB1 LEU 18 -4.845 -9.897 3.222 132 HG LEU 18 HG LEU 18 -4.147 -11.285 5.219 133 1HD1 LEU 18 HD11 LEU 18 -5.491 -13.644 4.733 134 2HD1 LEU 18 HD12 LEU 18 -6.767 -12.428 4.691 135 3HD1 LEU 18 HD13 LEU 18 -5.736 -12.574 6.114 136 1HD2 LEU 18 HD21 LEU 18 -4.204 -13.350 3.283 137 2HD2 LEU 18 HD22 LEU 18 -2.890 -12.239 3.660 138 3HD2 LEU 18 HD23 LEU 18 -4.072 -11.816 2.423 139 H GLY 19 HN GLY 19 -4.502 -9.040 6.750 140 1HA GLY 19 HA2 GLY 19 -5.767 -11.006 8.530 141 2HA GLY 19 HA1 GLY 19 -4.090 -10.496 8.626 142 H GLY 20 HN GLY 20 -6.493 -8.074 8.072 143 1HA GLY 20 HA2 GLY 20 -7.344 -6.413 9.412 144 2HA GLY 20 HA1 GLY 20 -7.104 -7.491 10.778 145 H GLY 21 HN GLY 21 -5.054 -5.689 8.494 146 1HA GLY 21 HA2 GLY 21 -3.568 -4.644 10.810 147 2HA GLY 21 HA1 GLY 21 -2.747 -5.214 9.363 148 H SER 22 HN SER 22 -3.630 -2.545 10.918 149 HA SER 22 HA SER 22 -4.902 -0.765 9.349 150 1HB SER 22 HB2 SER 22 -2.383 0.369 10.328 151 2HB SER 22 HB1 SER 22 -4.045 0.810 10.710 152 HG SER 22 HG SER 22 -4.106 -0.973 12.141 153 H ARG 23 HN ARG 23 -4.287 0.811 7.796 154 HA ARG 23 HA ARG 23 -2.894 -0.248 5.604 155 1HB ARG 23 HB2 ARG 23 -4.381 2.157 6.248 156 2HB ARG 23 HB1 ARG 23 -3.006 2.505 5.214 157 1HG ARG 23 HG2 ARG 23 -3.918 1.478 3.431 158 2HG ARG 23 HG1 ARG 23 -4.629 0.191 4.406 159 1HD ARG 23 HD2 ARG 23 -5.953 2.590 5.095 160 2HD ARG 23 HD1 ARG 23 -5.865 2.534 3.335 161 HE ARG 23 HE ARG 23 -7.332 0.773 3.343 162 1HH1 ARG 23 HH11 ARG 23 -6.146 1.284 6.586 163 2HH1 ARG 23 HH12 ARG 23 -7.272 0.185 7.306 164 1HH2 ARG 23 HH21 ARG 23 -8.816 -0.671 4.289 165 2HH2 ARG 23 HH22 ARG 23 -8.788 -0.926 6.002 166 H GLU 24 HN GLU 24 -1.996 2.030 8.097 167 HA GLU 24 HA GLU 24 0.509 2.750 6.964 168 1HB GLU 24 HB2 GLU 24 0.001 2.943 9.901 169 2HB GLU 24 HB1 GLU 24 0.810 4.079 8.830 170 1HG GLU 24 HG2 GLU 24 -1.517 4.398 7.774 171 2HG GLU 24 HG1 GLU 24 -2.117 3.646 9.250 172 H ARG 25 HN ARG 25 -0.496 0.286 9.281 173 HA ARG 25 HA ARG 25 1.985 -0.458 10.275 174 1HB ARG 25 HB2 ARG 25 -0.164 -1.314 11.129 175 2HB ARG 25 HB1 ARG 25 -0.359 -2.266 9.663 176 1HG ARG 25 HG2 ARG 25 0.491 -3.868 11.021 177 2HG ARG 25 HG1 ARG 25 2.005 -3.204 10.401 178 1HD ARG 25 HD2 ARG 25 2.560 -2.259 12.384 179 2HD ARG 25 HD1 ARG 25 0.886 -1.900 12.804 180 HE ARG 25 HE ARG 25 2.382 -4.150 13.631 181 1HH1 ARG 25 HH11 ARG 25 -0.823 -3.239 12.596 182 2HH1 ARG 25 HH12 ARG 25 -1.603 -4.513 13.472 183 1HH2 ARG 25 HH21 ARG 25 1.358 -5.826 14.784 184 2HH2 ARG 25 HH22 ARG 25 -0.365 -5.982 14.714 185 H CYS 26 HN CYS 26 0.311 -1.636 7.385 186 HA CYS 26 HA CYS 26 2.411 -3.405 6.620 187 1HB CYS 26 HB2 CYS 26 0.729 -2.461 4.419 188 2HB CYS 26 HB1 CYS 26 1.035 -4.093 4.981 189 H ALA 27 HN ALA 27 1.557 -0.090 5.844 190 HA ALA 27 HA ALA 27 3.254 0.376 3.701 191 1HB ALA 27 HB1 ALA 27 2.743 2.570 3.963 192 2HB ALA 27 HB2 ALA 27 3.018 2.540 5.705 193 3HB ALA 27 HB3 ALA 27 1.515 1.902 5.039 194 H SER 28 HN SER 28 3.931 0.650 7.179 195 HA SER 28 HA SER 28 6.634 1.444 6.832 196 1HB SER 28 HB2 SER 28 6.856 1.001 9.243 197 2HB SER 28 HB1 SER 28 5.392 1.923 8.900 198 HG SER 28 HG SER 28 5.674 -0.749 9.696 199 H LEU 29 HN LEU 29 4.990 -1.617 7.004 200 HA LEU 29 HA LEU 29 7.267 -3.228 7.539 201 1HB LEU 29 HB2 LEU 29 4.554 -3.639 7.432 202 2HB LEU 29 HB1 LEU 29 5.114 -4.490 6.005 203 HG LEU 29 HG LEU 29 6.839 -5.557 7.672 204 1HD1 LEU 29 HD11 LEU 29 6.345 -4.245 9.607 205 2HD1 LEU 29 HD12 LEU 29 5.778 -5.889 9.904 206 3HD1 LEU 29 HD13 LEU 29 4.626 -4.621 9.488 207 1HD2 LEU 29 HD21 LEU 29 5.017 -7.269 8.262 208 2HD2 LEU 29 HD22 LEU 29 5.368 -6.978 6.558 209 3HD2 LEU 29 HD23 LEU 29 3.946 -6.247 7.303 210 H SER 30 HN SER 30 5.444 -2.649 4.519 211 HA SER 30 HA SER 30 7.573 -3.868 2.972 212 1HB SER 30 HB2 SER 30 4.849 -3.700 2.612 213 2HB SER 30 HB1 SER 30 5.456 -2.499 1.473 214 HG SER 30 HG SER 30 6.804 -4.127 0.600 215 H GLY 31 HN GLY 31 5.973 -0.682 3.093 216 1HA GLY 31 HA2 GLY 31 7.392 1.303 3.173 217 2HA GLY 31 HA1 GLY 31 8.494 0.478 2.082 218 H CYS 32 HN CYS 32 5.044 0.316 1.608 219 HA CYS 32 HA CYS 32 5.262 1.342 -1.026 220 1HB CYS 32 HB2 CYS 32 2.869 0.685 0.702 221 2HB CYS 32 HB1 CYS 32 2.756 1.156 -0.983 222 H LYS 33 HN LYS 33 2.472 2.771 -0.336 223 HA LYS 33 HA LYS 33 3.396 5.190 0.914 224 1HB LYS 33 HB2 LYS 33 4.213 5.493 -1.378 225 2HB LYS 33 HB1 LYS 33 2.598 5.188 -2.003 226 1HG LYS 33 HG2 LYS 33 3.048 7.551 -2.012 227 2HG LYS 33 HG1 LYS 33 1.787 7.192 -0.832 228 1HD LYS 33 HD2 LYS 33 4.429 7.068 0.350 229 2HD LYS 33 HD1 LYS 33 4.124 8.638 -0.393 230 1HE LYS 33 HE2 LYS 33 1.772 7.962 0.978 231 2HE LYS 33 HE1 LYS 33 3.099 7.549 2.062 232 1HZ LYS 33 HZ1 LYS 33 2.274 9.865 2.276 233 2HZ LYS 33 HZ2 LYS 33 2.837 10.177 0.712 234 3HZ LYS 33 HZ3 LYS 33 3.928 9.759 1.934 235 H ILE 34 HN ILE 34 1.767 6.036 2.027 236 HA ILE 34 HA ILE 34 -0.916 5.013 1.577 237 HB ILE 34 HB ILE 34 0.068 5.076 3.871 238 1HG1 ILE 34 HG12 ILE 34 -1.995 6.239 4.901 239 2HG1 ILE 34 HG11 ILE 34 -2.491 6.523 3.235 240 1HG2 ILE 34 HG21 ILE 34 1.085 7.424 3.370 241 2HG2 ILE 34 HG22 ILE 34 0.558 7.017 5.004 242 3HG2 ILE 34 HG23 ILE 34 -0.467 8.009 3.967 243 1HD1 ILE 34 HD11 ILE 34 -3.440 4.480 4.368 244 2HD1 ILE 34 HD12 ILE 34 -1.819 3.791 4.272 245 3HD1 ILE 34 HD13 ILE 34 -2.684 4.222 2.796 246 H ILE 35 HN ILE 35 -2.306 6.074 0.345 247 HA ILE 35 HA ILE 35 -1.975 8.986 0.033 248 HB ILE 35 HB ILE 35 -3.735 7.696 -1.913 249 1HG1 ILE 35 HG12 ILE 35 -1.589 6.891 -3.193 250 2HG1 ILE 35 HG11 ILE 35 -0.911 6.748 -1.574 251 1HG2 ILE 35 HG21 ILE 35 -1.263 9.198 -2.605 252 2HG2 ILE 35 HG22 ILE 35 -2.577 10.051 -1.793 253 3HG2 ILE 35 HG23 ILE 35 -2.865 9.255 -3.341 254 1HD1 ILE 35 HD11 ILE 35 -3.490 5.533 -1.620 255 2HD1 ILE 35 HD12 ILE 35 -1.916 4.803 -1.299 256 3HD1 ILE 35 HD13 ILE 35 -2.521 4.909 -2.953 257 H SER 36 HN SER 36 -4.393 9.626 -1.081 258 HA SER 36 HA SER 36 -6.536 8.671 0.607 259 1HB SER 36 HB2 SER 36 -5.590 10.301 2.113 260 2HB SER 36 HB1 SER 36 -5.501 11.506 0.829 261 HG SER 36 HG SER 36 -7.320 11.909 2.065 262 H ALA 37 HN ALA 37 -5.819 8.892 -2.255 263 HA ALA 37 HA ALA 37 -8.362 9.652 -3.249 264 1HB ALA 37 HB1 ALA 37 -7.521 11.904 -2.983 265 2HB ALA 37 HB2 ALA 37 -7.636 11.509 -4.698 266 3HB ALA 37 HB3 ALA 37 -6.066 11.496 -3.893 267 H SER 38 HN SER 38 -5.050 9.778 -4.526 268 HA SER 38 HA SER 38 -4.941 7.303 -5.723 269 1HB SER 38 HB2 SER 38 -6.691 9.124 -7.161 270 2HB SER 38 HB1 SER 38 -5.358 8.574 -8.174 271 HG SER 38 HG SER 38 -7.382 7.079 -6.925 272 H THR 39 HN THR 39 -4.185 10.715 -6.041 273 HA THR 39 HA THR 39 -1.994 10.614 -7.730 274 HB THR 39 HB THR 39 -1.944 12.421 -5.346 275 HG1 THR 39 HG1 THR 39 -3.837 13.165 -5.783 276 1HG2 THR 39 HG21 THR 39 -0.256 13.014 -6.803 277 2HG2 THR 39 HG22 THR 39 -1.573 14.092 -7.271 278 3HG2 THR 39 HG23 THR 39 -1.224 12.654 -8.233 279 H CYS 40 HN CYS 40 -0.057 9.706 -7.600 280 HA CYS 40 HA CYS 40 0.937 8.889 -4.950 281 1HB CYS 40 HB2 CYS 40 1.260 7.648 -7.675 282 2HB CYS 40 HB1 CYS 40 2.339 7.245 -6.342 283 HA PRO 41 HA PRO 41 4.506 11.419 -5.142 284 1HB PRO 41 HB2 PRO 41 6.520 9.545 -4.715 285 2HB PRO 41 HB1 PRO 41 5.598 10.366 -3.454 286 1HG PRO 41 HG2 PRO 41 5.218 7.645 -4.620 287 2HG PRO 41 HG1 PRO 41 5.028 8.187 -2.942 288 1HD PRO 41 HD2 PRO 41 2.904 7.746 -4.507 289 2HD PRO 41 HD1 PRO 41 2.925 9.088 -3.342 290 H SER 42 HN SER 42 5.954 8.424 -6.380 291 HA SER 42 HA SER 42 7.245 9.805 -8.502 292 1HB SER 42 HB2 SER 42 8.293 7.843 -7.542 293 2HB SER 42 HB1 SER 42 6.909 6.843 -7.978 294 HG SER 42 HG SER 42 7.713 6.633 -9.901 295 H ASP 43 HN ASP 43 5.293 6.893 -9.038 296 HA ASP 43 HA ASP 43 3.227 8.051 -10.511 297 1HB ASP 43 HB2 ASP 43 5.503 8.402 -11.922 298 2HB ASP 43 HB1 ASP 43 5.020 6.818 -12.520 299 H TYR 44 HN TYR 44 3.646 5.898 -8.679 300 HA TYR 44 HA TYR 44 2.871 3.599 -10.336 301 1HB TYR 44 HB2 TYR 44 3.509 2.244 -8.262 302 2HB TYR 44 HB1 TYR 44 4.823 2.953 -9.191 303 HD1 TYR 44 HD1 TYR 44 3.020 2.989 -6.022 304 HD2 TYR 44 HD2 TYR 44 6.095 4.852 -8.296 305 HE1 TYR 44 HE1 TYR 44 3.866 4.067 -3.982 306 HE2 TYR 44 HE2 TYR 44 6.950 5.936 -6.259 307 HH TYR 44 HH TYR 44 6.362 5.015 -3.301 308 HA PRO 45 HA PRO 45 -0.888 4.822 -7.933 309 1HB PRO 45 HB2 PRO 45 -2.627 4.715 -9.986 310 2HB PRO 45 HB1 PRO 45 -1.621 6.136 -9.682 311 1HG PRO 45 HG2 PRO 45 -1.229 3.928 -11.662 312 2HG PRO 45 HG1 PRO 45 -1.014 5.675 -11.877 313 1HD PRO 45 HD2 PRO 45 1.053 3.951 -11.430 314 2HD PRO 45 HD1 PRO 45 1.081 5.656 -10.943 315 H LYS 46 HN LYS 46 -0.877 2.868 -6.799 316 HA LYS 46 HA LYS 46 -1.725 0.442 -8.145 317 1HB LYS 46 HB2 LYS 46 0.065 0.303 -6.503 318 2HB LYS 46 HB1 LYS 46 -1.003 0.957 -5.277 319 1HG LYS 46 HG2 LYS 46 -2.199 -1.347 -6.490 320 2HG LYS 46 HG1 LYS 46 -0.576 -1.727 -5.911 321 1HD LYS 46 HD2 LYS 46 -2.395 -0.186 -4.128 322 2HD LYS 46 HD1 LYS 46 -2.684 -1.916 -4.331 323 1HE LYS 46 HE2 LYS 46 -0.112 -2.085 -3.871 324 2HE LYS 46 HE1 LYS 46 -0.346 -0.505 -3.125 325 1HZ LYS 46 HZ1 LYS 46 -0.845 -1.720 -1.328 326 2HZ LYS 46 HZ2 LYS 46 -1.182 -3.119 -2.217 327 3HZ LYS 46 HZ3 LYS 46 -2.358 -1.916 -2.058 Start of MODEL 7 1 1H LYS 1 HT1 LYS 1 -7.879 4.805 -2.609 2 2H LYS 1 HT2 LYS 1 -8.159 4.401 -0.964 3 3H LYS 1 HT3 LYS 1 -9.094 3.665 -2.203 4 HA LYS 1 HA LYS 1 -7.516 2.124 -1.455 5 1HB LYS 1 HB2 LYS 1 -7.903 2.939 -4.057 6 2HB LYS 1 HB1 LYS 1 -6.150 2.919 -3.929 7 1HG LYS 1 HG2 LYS 1 -6.260 0.589 -3.133 8 2HG LYS 1 HG1 LYS 1 -8.010 0.622 -3.353 9 1HD LYS 1 HD2 LYS 1 -7.324 -0.335 -5.334 10 2HD LYS 1 HD1 LYS 1 -7.398 1.369 -5.783 11 1HE LYS 1 HE2 LYS 1 -5.218 1.417 -6.235 12 2HE LYS 1 HE1 LYS 1 -4.820 0.706 -4.672 13 1HZ LYS 1 HZ1 LYS 1 -5.790 -0.938 -6.932 14 2HZ LYS 1 HZ2 LYS 1 -4.979 -1.446 -5.538 15 3HZ LYS 1 HZ3 LYS 1 -4.149 -0.581 -6.731 16 H SER 2 HN SER 2 -4.911 1.898 -2.477 17 HA SER 2 HA SER 2 -3.367 4.018 -1.247 18 1HB SER 2 HB2 SER 2 -3.874 1.543 0.037 19 2HB SER 2 HB1 SER 2 -2.178 1.568 -0.438 20 HG SER 2 HG SER 2 -1.931 3.500 0.684 21 H CYS 3 HN CYS 3 -0.965 3.589 -1.567 22 HA CYS 3 HA CYS 3 -0.570 2.459 -4.259 23 1HB CYS 3 HB2 CYS 3 0.869 4.718 -2.855 24 2HB CYS 3 HB1 CYS 3 1.415 4.009 -4.367 25 H CYS 4 HN CYS 4 1.415 1.269 -4.618 26 HA CYS 4 HA CYS 4 2.861 0.545 -2.180 27 1HB CYS 4 HB2 CYS 4 1.040 -1.205 -3.684 28 2HB CYS 4 HB1 CYS 4 2.608 -1.915 -3.311 29 HA PRO 5 HA PRO 5 5.571 1.752 -5.884 30 1HB PRO 5 HB2 PRO 5 7.154 1.906 -3.353 31 2HB PRO 5 HB1 PRO 5 7.250 2.920 -4.799 32 1HG PRO 5 HG2 PRO 5 5.891 3.698 -2.624 33 2HG PRO 5 HG1 PRO 5 5.351 4.102 -4.262 34 1HD PRO 5 HD2 PRO 5 4.166 2.252 -2.323 35 2HD PRO 5 HD1 PRO 5 3.446 2.970 -3.766 36 H ASN 6 HN ASN 6 5.026 -1.087 -4.956 37 HA ASN 6 HA ASN 6 7.157 -2.355 -6.192 38 1HB ASN 6 HB2 ASN 6 7.545 -1.851 -3.310 39 2HB ASN 6 HB1 ASN 6 7.790 -3.524 -3.799 40 1HD2 ASN 6 HD21 ASN 6 9.301 -0.675 -3.323 41 2HD2 ASN 6 HD22 ASN 6 10.663 -0.878 -4.367 42 H THR 7 HN THR 7 6.261 -4.208 -6.910 43 HA THR 7 HA THR 7 3.740 -5.092 -6.174 44 HB THR 7 HB THR 7 4.486 -5.959 -8.200 45 HG1 THR 7 HG1 THR 7 3.494 -7.640 -7.153 46 1HG2 THR 7 HG21 THR 7 6.581 -7.448 -8.282 47 2HG2 THR 7 HG22 THR 7 7.034 -6.626 -6.790 48 3HG2 THR 7 HG23 THR 7 6.782 -5.696 -8.267 49 H THR 8 HN THR 8 6.897 -5.924 -4.902 50 HA THR 8 HA THR 8 6.122 -8.043 -3.222 51 HB THR 8 HB THR 8 8.190 -7.292 -1.879 52 HG1 THR 8 HG1 THR 8 8.134 -5.117 -2.665 53 1HG2 THR 8 HG21 THR 8 8.165 -9.008 -3.754 54 2HG2 THR 8 HG22 THR 8 9.708 -8.248 -3.368 55 3HG2 THR 8 HG23 THR 8 8.794 -7.718 -4.780 56 H GLY 9 HN GLY 9 5.912 -4.563 -2.949 57 1HA GLY 9 HA2 GLY 9 5.214 -4.614 -0.142 58 2HA GLY 9 HA1 GLY 9 5.171 -3.213 -1.209 59 H ARG 10 HN ARG 10 3.632 -4.454 -3.253 60 HA ARG 10 HA ARG 10 1.027 -3.858 -2.412 61 1HB ARG 10 HB2 ARG 10 2.253 -4.352 -4.827 62 2HB ARG 10 HB1 ARG 10 1.184 -5.737 -4.646 63 1HG ARG 10 HG2 ARG 10 0.014 -3.114 -4.040 64 2HG ARG 10 HG1 ARG 10 0.444 -3.412 -5.725 65 1HD ARG 10 HD2 ARG 10 -0.774 -5.756 -5.003 66 2HD ARG 10 HD1 ARG 10 -1.705 -4.550 -4.112 67 HE ARG 10 HE ARG 10 -1.327 -3.658 -6.721 68 1HH1 ARG 10 HH11 ARG 10 -3.064 -6.133 -4.986 69 2HH1 ARG 10 HH12 ARG 10 -4.344 -6.230 -6.147 70 1HH2 ARG 10 HH21 ARG 10 -3.015 -3.781 -8.257 71 2HH2 ARG 10 HH22 ARG 10 -4.317 -4.895 -8.005 72 H ASN 11 HN ASN 11 2.852 -6.841 -2.519 73 HA ASN 11 HA ASN 11 0.681 -8.585 -2.006 74 1HB ASN 11 HB2 ASN 11 3.668 -8.794 -1.698 75 2HB ASN 11 HB1 ASN 11 2.600 -10.099 -1.220 76 1HD2 ASN 11 HD21 ASN 11 4.584 -9.263 -3.546 77 2HD2 ASN 11 HD22 ASN 11 3.808 -9.952 -4.926 78 H ILE 12 HN ILE 12 3.332 -7.642 0.209 79 HA ILE 12 HA ILE 12 2.084 -8.607 2.498 80 HB ILE 12 HB ILE 12 4.089 -6.373 2.232 81 1HG1 ILE 12 HG12 ILE 12 5.360 -8.442 3.443 82 2HG1 ILE 12 HG11 ILE 12 4.213 -9.316 2.432 83 1HG2 ILE 12 HG21 ILE 12 4.482 -7.104 4.734 84 2HG2 ILE 12 HG22 ILE 12 2.776 -7.540 4.634 85 3HG2 ILE 12 HG23 ILE 12 3.281 -5.881 4.318 86 1HD1 ILE 12 HD11 ILE 12 5.675 -7.139 1.119 87 2HD1 ILE 12 HD12 ILE 12 5.256 -8.746 0.532 88 3HD1 ILE 12 HD13 ILE 12 6.635 -8.532 1.611 89 H TYR 13 HN TYR 13 1.897 -5.380 1.052 90 HA TYR 13 HA TYR 13 0.408 -4.210 3.117 91 1HB TYR 13 HB2 TYR 13 1.585 -3.181 1.030 92 2HB TYR 13 HB1 TYR 13 0.029 -3.437 0.251 93 HD1 TYR 13 HD1 TYR 13 1.972 -1.230 2.225 94 HD2 TYR 13 HD2 TYR 13 -2.034 -2.443 1.472 95 HE1 TYR 13 HE1 TYR 13 1.158 0.889 3.161 96 HE2 TYR 13 HE2 TYR 13 -2.858 -0.325 2.409 97 HH TYR 13 HH TYR 13 -1.670 2.160 2.655 98 H ASN 14 HN ASN 14 -0.609 -5.811 0.126 99 HA ASN 14 HA ASN 14 -3.365 -5.465 0.535 100 1HB ASN 14 HB2 ASN 14 -1.688 -7.225 -1.210 101 2HB ASN 14 HB1 ASN 14 -3.421 -7.477 -1.116 102 1HD2 ASN 14 HD21 ASN 14 -1.535 -4.467 -1.056 103 2HD2 ASN 14 HD22 ASN 14 -2.285 -3.771 -2.445 104 H THR 15 HN THR 15 -1.310 -8.403 1.021 105 HA THR 15 HA THR 15 -3.422 -9.883 2.176 106 HB THR 15 HB THR 15 -1.624 -11.190 1.468 107 HG1 THR 15 HG1 THR 15 -1.238 -12.363 3.226 108 1HG2 THR 15 HG21 THR 15 0.592 -10.640 3.045 109 2HG2 THR 15 HG22 THR 15 0.033 -9.067 2.480 110 3HG2 THR 15 HG23 THR 15 0.413 -10.338 1.317 111 H CYS 16 HN CYS 16 -0.976 -7.769 3.579 112 HA CYS 16 HA CYS 16 -1.372 -8.227 6.276 113 1HB CYS 16 HB2 CYS 16 0.362 -6.745 5.722 114 2HB CYS 16 HB1 CYS 16 -0.670 -5.780 4.680 115 H ARG 17 HN ARG 17 -3.049 -5.890 4.177 116 HA ARG 17 HA ARG 17 -4.938 -5.040 6.078 117 1HB ARG 17 HB2 ARG 17 -4.542 -4.807 3.187 118 2HB ARG 17 HB1 ARG 17 -6.238 -4.833 3.649 119 1HG ARG 17 HG2 ARG 17 -4.445 -3.048 5.186 120 2HG ARG 17 HG1 ARG 17 -4.821 -2.592 3.523 121 1HD ARG 17 HD2 ARG 17 -7.057 -3.431 5.294 122 2HD ARG 17 HD1 ARG 17 -6.341 -1.841 5.556 123 HE ARG 17 HE ARG 17 -6.906 -2.184 2.818 124 1HH1 ARG 17 HH11 ARG 17 -8.525 -1.694 5.871 125 2HH1 ARG 17 HH12 ARG 17 -9.891 -0.901 5.162 126 1HH2 ARG 17 HH21 ARG 17 -8.703 -1.140 1.884 127 2HH2 ARG 17 HH22 ARG 17 -9.993 -0.586 2.899 128 H LEU 18 HN LEU 18 -4.852 -7.767 3.864 129 HA LEU 18 HA LEU 18 -7.528 -8.565 4.089 130 1HB LEU 18 HB2 LEU 18 -6.873 -10.159 2.647 131 2HB LEU 18 HB1 LEU 18 -5.297 -9.409 2.704 132 HG LEU 18 HG LEU 18 -4.778 -10.977 4.627 133 1HD1 LEU 18 HD11 LEU 18 -7.500 -11.784 4.025 134 2HD1 LEU 18 HD12 LEU 18 -6.496 -12.154 5.427 135 3HD1 LEU 18 HD13 LEU 18 -6.372 -13.139 3.970 136 1HD2 LEU 18 HD21 LEU 18 -5.033 -12.900 2.562 137 2HD2 LEU 18 HD22 LEU 18 -3.608 -11.974 3.028 138 3HD2 LEU 18 HD23 LEU 18 -4.710 -11.339 1.808 139 H GLY 19 HN GLY 19 -4.916 -8.746 6.302 140 1HA GLY 19 HA2 GLY 19 -6.395 -10.678 7.954 141 2HA GLY 19 HA1 GLY 19 -4.675 -10.352 8.091 142 H GLY 20 HN GLY 20 -6.817 -7.672 7.656 143 1HA GLY 20 HA2 GLY 20 -7.537 -6.025 9.089 144 2HA GLY 20 HA1 GLY 20 -7.370 -7.182 10.398 145 H GLY 21 HN GLY 21 -5.214 -5.423 8.178 146 1HA GLY 21 HA2 GLY 21 -3.640 -4.590 10.519 147 2HA GLY 21 HA1 GLY 21 -2.864 -5.183 9.055 148 H SER 22 HN SER 22 -3.473 -2.484 10.670 149 HA SER 22 HA SER 22 -4.633 -0.588 9.133 150 1HB SER 22 HB2 SER 22 -2.063 0.390 10.105 151 2HB SER 22 HB1 SER 22 -3.698 0.871 10.556 152 HG SER 22 HG SER 22 -2.058 -1.123 11.653 153 H ARG 23 HN ARG 23 -3.923 0.929 7.582 154 HA ARG 23 HA ARG 23 -2.561 -0.220 5.407 155 1HB ARG 23 HB2 ARG 23 -3.978 2.229 5.992 156 2HB ARG 23 HB1 ARG 23 -2.548 2.550 5.023 157 1HG ARG 23 HG2 ARG 23 -3.563 1.820 3.196 158 2HG ARG 23 HG1 ARG 23 -3.923 0.275 3.967 159 1HD ARG 23 HD2 ARG 23 -6.035 0.892 4.528 160 2HD ARG 23 HD1 ARG 23 -5.593 2.582 4.765 161 HE ARG 23 HE ARG 23 -6.211 2.990 2.609 162 1HH1 ARG 23 HH11 ARG 23 -5.638 -0.434 2.958 163 2HH1 ARG 23 HH12 ARG 23 -6.189 -0.816 1.361 164 1HH2 ARG 23 HH21 ARG 23 -6.936 2.490 0.509 165 2HH2 ARG 23 HH22 ARG 23 -6.925 0.844 -0.029 166 H GLU 24 HN GLU 24 -1.594 2.053 7.882 167 HA GLU 24 HA GLU 24 0.949 2.644 6.765 168 1HB GLU 24 HB2 GLU 24 0.413 2.911 9.693 169 2HB GLU 24 HB1 GLU 24 1.291 3.987 8.614 170 1HG GLU 24 HG2 GLU 24 -1.003 4.397 7.517 171 2HG GLU 24 HG1 GLU 24 -1.660 3.700 8.996 172 H ARG 25 HN ARG 25 -0.172 0.233 9.096 173 HA ARG 25 HA ARG 25 2.311 -0.553 10.090 174 1HB ARG 25 HB2 ARG 25 0.103 -1.293 10.979 175 2HB ARG 25 HB1 ARG 25 -0.070 -2.344 9.581 176 1HG ARG 25 HG2 ARG 25 0.793 -3.881 10.969 177 2HG ARG 25 HG1 ARG 25 2.329 -3.160 10.481 178 1HD ARG 25 HD2 ARG 25 2.455 -3.230 12.810 179 2HD ARG 25 HD1 ARG 25 1.987 -1.567 12.460 180 HE ARG 25 HE ARG 25 -0.386 -2.805 12.827 181 1HH1 ARG 25 HH11 ARG 25 2.538 -2.657 14.725 182 2HH1 ARG 25 HH12 ARG 25 1.712 -2.820 16.237 183 1HH2 ARG 25 HH21 ARG 25 -1.473 -3.019 14.817 184 2HH2 ARG 25 HH22 ARG 25 -0.564 -3.026 16.291 185 H CYS 26 HN CYS 26 0.522 -1.808 7.297 186 HA CYS 26 HA CYS 26 2.584 -3.630 6.544 187 1HB CYS 26 HB2 CYS 26 0.864 -2.763 4.345 188 2HB CYS 26 HB1 CYS 26 1.145 -4.370 4.984 189 H ALA 27 HN ALA 27 1.766 -0.328 5.763 190 HA ALA 27 HA ALA 27 3.360 0.105 3.532 191 1HB ALA 27 HB1 ALA 27 1.715 1.670 4.911 192 2HB ALA 27 HB2 ALA 27 2.952 2.328 3.841 193 3HB ALA 27 HB3 ALA 27 3.238 2.253 5.580 194 H SER 28 HN SER 28 4.228 0.632 6.958 195 HA SER 28 HA SER 28 6.955 1.177 6.374 196 1HB SER 28 HB2 SER 28 5.510 0.490 8.935 197 2HB SER 28 HB1 SER 28 7.240 0.829 8.877 198 HG SER 28 HG SER 28 5.836 2.664 9.354 199 H LEU 29 HN LEU 29 5.121 -1.698 6.774 200 HA LEU 29 HA LEU 29 7.213 -3.432 7.584 201 1HB LEU 29 HB2 LEU 29 4.449 -3.609 7.165 202 2HB LEU 29 HB1 LEU 29 5.160 -4.769 6.060 203 HG LEU 29 HG LEU 29 6.084 -4.785 8.892 204 1HD1 LEU 29 HD11 LEU 29 3.375 -5.613 7.937 205 2HD1 LEU 29 HD12 LEU 29 3.831 -4.763 9.414 206 3HD1 LEU 29 HD13 LEU 29 4.168 -6.486 9.247 207 1HD2 LEU 29 HD21 LEU 29 7.018 -6.225 7.036 208 2HD2 LEU 29 HD22 LEU 29 5.464 -7.059 7.024 209 3HD2 LEU 29 HD23 LEU 29 6.464 -7.080 8.477 210 H SER 30 HN SER 30 5.780 -2.737 4.381 211 HA SER 30 HA SER 30 7.958 -4.278 3.185 212 1HB SER 30 HB2 SER 30 5.261 -4.299 2.630 213 2HB SER 30 HB1 SER 30 5.932 -3.325 1.321 214 HG SER 30 HG SER 30 7.223 -5.003 0.728 215 H GLY 31 HN GLY 31 6.149 -1.522 1.871 216 1HA GLY 31 HA2 GLY 31 7.888 0.529 2.031 217 2HA GLY 31 HA1 GLY 31 8.584 -0.451 0.750 218 H CYS 32 HN CYS 32 5.197 0.100 1.498 219 HA CYS 32 HA CYS 32 4.625 0.802 -1.257 220 1HB CYS 32 HB2 CYS 32 2.927 0.484 1.236 221 2HB CYS 32 HB1 CYS 32 2.272 0.866 -0.344 222 H LYS 33 HN LYS 33 2.484 2.609 -0.856 223 HA LYS 33 HA LYS 33 3.643 4.932 0.474 224 1HB LYS 33 HB2 LYS 33 4.021 4.634 -2.197 225 2HB LYS 33 HB1 LYS 33 2.491 5.498 -2.183 226 1HG LYS 33 HG2 LYS 33 4.874 6.455 -0.638 227 2HG LYS 33 HG1 LYS 33 4.606 6.885 -2.328 228 1HD LYS 33 HD2 LYS 33 3.410 8.599 -1.529 229 2HD LYS 33 HD1 LYS 33 2.165 7.398 -1.183 230 1HE LYS 33 HE2 LYS 33 2.396 7.696 1.005 231 2HE LYS 33 HE1 LYS 33 4.137 7.439 0.913 232 1HZ LYS 33 HZ1 LYS 33 2.835 10.020 0.251 233 2HZ LYS 33 HZ2 LYS 33 4.487 9.724 0.463 234 3HZ LYS 33 HZ3 LYS 33 3.439 9.651 1.788 235 H ILE 34 HN ILE 34 2.155 5.886 1.670 236 HA ILE 34 HA ILE 34 -0.660 5.305 1.157 237 HB ILE 34 HB ILE 34 0.345 4.879 3.422 238 1HG1 ILE 34 HG12 ILE 34 -1.602 6.315 4.560 239 2HG1 ILE 34 HG11 ILE 34 -2.088 6.493 2.876 240 1HG2 ILE 34 HG21 ILE 34 0.105 7.772 4.043 241 2HG2 ILE 34 HG22 ILE 34 1.571 7.210 3.240 242 3HG2 ILE 34 HG23 ILE 34 1.103 6.529 4.798 243 1HD1 ILE 34 HD11 ILE 34 -2.658 4.314 2.670 244 2HD1 ILE 34 HD12 ILE 34 -2.923 4.494 4.404 245 3HD1 ILE 34 HD13 ILE 34 -1.430 3.768 3.811 246 H ILE 35 HN ILE 35 -1.809 6.754 0.061 247 HA ILE 35 HA ILE 35 -0.876 9.440 -0.313 248 HB ILE 35 HB ILE 35 -3.062 9.688 -1.560 249 1HG1 ILE 35 HG12 ILE 35 -3.783 7.419 -0.188 250 2HG1 ILE 35 HG11 ILE 35 -4.615 8.062 -1.597 251 1HG2 ILE 35 HG21 ILE 35 -2.268 8.444 -3.484 252 2HG2 ILE 35 HG22 ILE 35 -1.211 7.488 -2.446 253 3HG2 ILE 35 HG23 ILE 35 -0.922 9.216 -2.644 254 1HD1 ILE 35 HD11 ILE 35 -3.269 6.590 -3.032 255 2HD1 ILE 35 HD12 ILE 35 -4.230 5.699 -1.853 256 3HD1 ILE 35 HD13 ILE 35 -2.501 5.920 -1.592 257 H SER 36 HN SER 36 -2.915 11.104 -0.281 258 HA SER 36 HA SER 36 -4.006 10.976 2.454 259 1HB SER 36 HB2 SER 36 -2.582 13.165 1.026 260 2HB SER 36 HB1 SER 36 -3.928 13.627 2.068 261 HG SER 36 HG SER 36 -1.849 11.918 2.940 262 H ALA 37 HN ALA 37 -5.068 10.305 -0.320 263 HA ALA 37 HA ALA 37 -7.728 10.984 0.061 264 1HB ALA 37 HB1 ALA 37 -7.606 13.198 -0.442 265 2HB ALA 37 HB2 ALA 37 -7.757 12.570 -2.083 266 3HB ALA 37 HB3 ALA 37 -6.170 13.001 -1.446 267 H SER 38 HN SER 38 -5.298 10.651 -2.484 268 HA SER 38 HA SER 38 -5.936 8.156 -3.368 269 1HB SER 38 HB2 SER 38 -7.940 10.088 -4.220 270 2HB SER 38 HB1 SER 38 -7.188 9.276 -5.592 271 HG SER 38 HG SER 38 -8.762 7.909 -5.029 272 H THR 39 HN THR 39 -5.052 11.409 -4.307 273 HA THR 39 HA THR 39 -3.709 10.838 -6.695 274 HB THR 39 HB THR 39 -2.662 12.962 -4.881 275 HG1 THR 39 HG1 THR 39 -5.175 13.151 -6.174 276 1HG2 THR 39 HG21 THR 39 -2.305 14.188 -6.769 277 2HG2 THR 39 HG22 THR 39 -3.622 13.417 -7.654 278 3HG2 THR 39 HG23 THR 39 -2.104 12.556 -7.405 279 H CYS 40 HN CYS 40 -1.958 9.678 -7.073 280 HA CYS 40 HA CYS 40 -0.178 8.994 -4.857 281 1HB CYS 40 HB2 CYS 40 -1.261 7.339 -6.608 282 2HB CYS 40 HB1 CYS 40 0.107 7.830 -7.598 283 HA PRO 41 HA PRO 41 3.068 11.860 -5.730 284 1HB PRO 41 HB2 PRO 41 4.709 9.346 -5.764 285 2HB PRO 41 HB1 PRO 41 5.051 10.895 -4.991 286 1HG PRO 41 HG2 PRO 41 4.089 8.810 -3.610 287 2HG PRO 41 HG1 PRO 41 3.628 10.477 -3.229 288 1HD PRO 41 HD2 PRO 41 2.035 8.323 -4.436 289 2HD PRO 41 HD1 PRO 41 1.495 9.802 -3.624 290 H SER 42 HN SER 42 4.819 9.316 -7.333 291 HA SER 42 HA SER 42 4.927 10.797 -9.753 292 1HB SER 42 HB2 SER 42 5.872 8.029 -8.998 293 2HB SER 42 HB1 SER 42 6.111 8.710 -10.607 294 HG SER 42 HG SER 42 7.916 9.100 -9.291 295 H ASP 43 HN ASP 43 3.891 7.420 -9.338 296 HA ASP 43 HA ASP 43 1.322 7.666 -10.367 297 1HB ASP 43 HB2 ASP 43 3.439 7.624 -12.405 298 2HB ASP 43 HB1 ASP 43 2.192 6.406 -12.652 299 H TYR 44 HN TYR 44 2.537 6.215 -8.346 300 HA TYR 44 HA TYR 44 2.515 3.445 -9.317 301 1HB TYR 44 HB2 TYR 44 4.382 4.575 -7.773 302 2HB TYR 44 HB1 TYR 44 3.259 4.090 -6.510 303 HD1 TYR 44 HD1 TYR 44 2.468 1.600 -6.618 304 HD2 TYR 44 HD2 TYR 44 5.975 3.088 -8.511 305 HE1 TYR 44 HE1 TYR 44 3.415 -0.667 -6.652 306 HE2 TYR 44 HE2 TYR 44 6.927 0.820 -8.540 307 HH TYR 44 HH TYR 44 5.168 -1.933 -7.147 308 HA PRO 45 HA PRO 45 -1.744 4.085 -7.492 309 1HB PRO 45 HB2 PRO 45 -2.617 1.817 -8.903 310 2HB PRO 45 HB1 PRO 45 -2.872 3.502 -9.364 311 1HG PRO 45 HG2 PRO 45 -0.813 1.568 -10.306 312 2HG PRO 45 HG1 PRO 45 -1.638 2.860 -11.197 313 1HD PRO 45 HD2 PRO 45 0.897 3.127 -10.387 314 2HD PRO 45 HD1 PRO 45 -0.224 4.505 -10.364 315 H LYS 46 HN LYS 46 0.225 1.187 -7.896 316 HA LYS 46 HA LYS 46 -0.011 0.443 -5.192 317 1HB LYS 46 HB2 LYS 46 -1.996 -0.588 -7.033 318 2HB LYS 46 HB1 LYS 46 -1.064 -1.869 -6.280 319 1HG LYS 46 HG2 LYS 46 -1.627 -0.259 -4.151 320 2HG LYS 46 HG1 LYS 46 -3.080 -0.095 -5.137 321 1HD LYS 46 HD2 LYS 46 -3.081 -2.639 -5.270 322 2HD LYS 46 HD1 LYS 46 -1.880 -2.594 -3.978 323 1HE LYS 46 HE2 LYS 46 -3.375 -1.867 -2.419 324 2HE LYS 46 HE1 LYS 46 -4.362 -1.014 -3.605 325 1HZ LYS 46 HZ1 LYS 46 -5.694 -2.783 -3.071 326 2HZ LYS 46 HZ2 LYS 46 -4.403 -3.854 -2.854 327 3HZ LYS 46 HZ3 LYS 46 -4.879 -3.411 -4.415 Start of MODEL 8 1 1H LYS 1 HT1 LYS 1 -7.609 1.947 -0.381 2 2H LYS 1 HT2 LYS 1 -7.351 0.318 0.093 3 3H LYS 1 HT3 LYS 1 -8.499 0.687 -1.127 4 HA LYS 1 HA LYS 1 -6.538 -0.196 -2.090 5 1HB LYS 1 HB2 LYS 1 -7.886 2.098 -2.785 6 2HB LYS 1 HB1 LYS 1 -6.210 2.628 -2.826 7 1HG LYS 1 HG2 LYS 1 -5.946 0.360 -4.195 8 2HG LYS 1 HG1 LYS 1 -7.639 0.701 -4.557 9 1HD LYS 1 HD2 LYS 1 -6.714 1.904 -6.242 10 2HD LYS 1 HD1 LYS 1 -6.604 3.135 -4.982 11 1HE LYS 1 HE2 LYS 1 -4.506 2.814 -6.297 12 2HE LYS 1 HE1 LYS 1 -4.317 2.595 -4.558 13 1HZ LYS 1 HZ1 LYS 1 -3.397 0.875 -6.353 14 2HZ LYS 1 HZ2 LYS 1 -4.926 0.201 -6.091 15 3HZ LYS 1 HZ3 LYS 1 -3.862 0.415 -4.792 16 H SER 2 HN SER 2 -4.403 1.357 -2.990 17 HA SER 2 HA SER 2 -2.885 2.557 -0.954 18 1HB SER 2 HB2 SER 2 -1.333 0.850 -0.344 19 2HB SER 2 HB1 SER 2 -2.940 0.158 -0.129 20 HG SER 2 HG SER 2 -0.998 -0.834 -1.546 21 H CYS 3 HN CYS 3 -0.592 2.867 -1.604 22 HA CYS 3 HA CYS 3 -0.315 2.777 -4.539 23 1HB CYS 3 HB2 CYS 3 -0.632 5.066 -3.381 24 2HB CYS 3 HB1 CYS 3 1.012 4.843 -2.800 25 H CYS 4 HN CYS 4 0.804 0.795 -4.470 26 HA CYS 4 HA CYS 4 3.368 0.791 -3.054 27 1HB CYS 4 HB2 CYS 4 1.740 -1.413 -4.316 28 2HB CYS 4 HB1 CYS 4 3.380 -1.657 -3.723 29 HA PRO 5 HA PRO 5 5.601 1.547 -6.795 30 1HB PRO 5 HB2 PRO 5 8.014 0.523 -6.102 31 2HB PRO 5 HB1 PRO 5 7.400 2.050 -5.457 32 1HG PRO 5 HG2 PRO 5 7.392 -0.672 -4.211 33 2HG PRO 5 HG1 PRO 5 7.788 0.893 -3.477 34 1HD PRO 5 HD2 PRO 5 5.383 -0.304 -3.144 35 2HD PRO 5 HD1 PRO 5 5.571 1.460 -3.189 36 H ASN 6 HN ASN 6 5.510 -1.685 -5.412 37 HA ASN 6 HA ASN 6 5.306 -2.831 -8.052 38 1HB ASN 6 HB2 ASN 6 7.178 -4.506 -7.506 39 2HB ASN 6 HB1 ASN 6 7.656 -2.893 -8.025 40 1HD2 ASN 6 HD21 ASN 6 9.686 -3.491 -6.999 41 2HD2 ASN 6 HD22 ASN 6 9.868 -3.245 -5.299 42 H THR 7 HN THR 7 5.282 -5.368 -7.773 43 HA THR 7 HA THR 7 3.057 -5.978 -6.188 44 HB THR 7 HB THR 7 3.403 -7.367 -8.045 45 HG1 THR 7 HG1 THR 7 3.137 -9.249 -7.109 46 1HG2 THR 7 HG21 THR 7 5.480 -8.873 -8.131 47 2HG2 THR 7 HG22 THR 7 6.208 -7.675 -7.061 48 3HG2 THR 7 HG23 THR 7 5.628 -7.197 -8.656 49 H THR 8 HN THR 8 6.483 -6.140 -5.503 50 HA THR 8 HA THR 8 6.393 -7.845 -3.275 51 HB THR 8 HB THR 8 8.483 -6.536 -2.569 52 HG1 THR 8 HG1 THR 8 7.829 -4.676 -3.896 53 1HG2 THR 8 HG21 THR 8 8.395 -8.654 -4.013 54 2HG2 THR 8 HG22 THR 8 9.866 -7.682 -4.029 55 3HG2 THR 8 HG23 THR 8 8.719 -7.566 -5.363 56 H GLY 9 HN GLY 9 5.232 -4.660 -3.681 57 1HA GLY 9 HA2 GLY 9 5.165 -4.226 -0.771 58 2HA GLY 9 HA1 GLY 9 4.944 -2.979 -1.991 59 H ARG 10 HN ARG 10 3.157 -4.414 -3.649 60 HA ARG 10 HA ARG 10 0.699 -3.752 -2.486 61 1HB ARG 10 HB2 ARG 10 1.040 -3.805 -4.900 62 2HB ARG 10 HB1 ARG 10 1.333 -5.538 -4.843 63 1HG ARG 10 HG2 ARG 10 -0.820 -5.664 -5.419 64 2HG ARG 10 HG1 ARG 10 -1.098 -5.422 -3.694 65 1HD ARG 10 HD2 ARG 10 -2.395 -3.717 -4.372 66 2HD ARG 10 HD1 ARG 10 -0.864 -2.859 -4.549 67 HE ARG 10 HE ARG 10 -1.218 -2.830 -6.796 68 1HH1 ARG 10 HH11 ARG 10 -3.117 -5.421 -5.432 69 2HH1 ARG 10 HH12 ARG 10 -3.886 -5.816 -6.933 70 1HH2 ARG 10 HH21 ARG 10 -2.229 -3.348 -8.771 71 2HH2 ARG 10 HH22 ARG 10 -3.381 -4.640 -8.829 72 H ASN 11 HN ASN 11 2.441 -6.809 -2.747 73 HA ASN 11 HA ASN 11 0.389 -8.509 -1.897 74 1HB ASN 11 HB2 ASN 11 2.333 -10.000 -1.236 75 2HB ASN 11 HB1 ASN 11 2.287 -9.488 -2.906 76 1HD2 ASN 11 HD21 ASN 11 4.604 -10.364 -2.258 77 2HD2 ASN 11 HD22 ASN 11 5.742 -9.108 -1.925 78 H ILE 12 HN ILE 12 3.181 -7.379 0.030 79 HA ILE 12 HA ILE 12 2.209 -8.283 2.474 80 HB ILE 12 HB ILE 12 4.039 -5.972 1.857 81 1HG1 ILE 12 HG12 ILE 12 5.452 -7.810 3.295 82 2HG1 ILE 12 HG11 ILE 12 4.322 -8.848 2.431 83 1HG2 ILE 12 HG21 ILE 12 2.986 -6.891 4.501 84 2HG2 ILE 12 HG22 ILE 12 3.226 -5.250 3.900 85 3HG2 ILE 12 HG23 ILE 12 4.615 -6.225 4.377 86 1HD1 ILE 12 HD11 ILE 12 5.132 -7.303 0.413 87 2HD1 ILE 12 HD12 ILE 12 5.947 -8.794 0.880 88 3HD1 ILE 12 HD13 ILE 12 6.571 -7.238 1.428 89 H TYR 13 HN TYR 13 1.677 -5.155 0.910 90 HA TYR 13 HA TYR 13 0.202 -3.991 2.987 91 1HB TYR 13 HB2 TYR 13 1.183 -3.109 0.669 92 2HB TYR 13 HB1 TYR 13 -0.473 -3.382 0.162 93 HD1 TYR 13 HD1 TYR 13 -2.302 -2.058 1.152 94 HD2 TYR 13 HD2 TYR 13 1.763 -1.332 2.163 95 HE1 TYR 13 HE1 TYR 13 -2.932 0.123 2.093 96 HE2 TYR 13 HE2 TYR 13 1.146 0.851 3.109 97 HH TYR 13 HH TYR 13 -0.604 2.490 2.962 98 H ASN 14 HN ASN 14 -0.762 -5.920 0.189 99 HA ASN 14 HA ASN 14 -3.537 -5.788 0.609 100 1HB ASN 14 HB2 ASN 14 -1.689 -7.479 -0.999 101 2HB ASN 14 HB1 ASN 14 -3.330 -8.055 -0.758 102 1HD2 ASN 14 HD21 ASN 14 -2.001 -4.803 -1.220 103 2HD2 ASN 14 HD22 ASN 14 -2.957 -4.422 -2.609 104 H THR 15 HN THR 15 -1.284 -8.522 1.263 105 HA THR 15 HA THR 15 -3.179 -10.052 2.645 106 HB THR 15 HB THR 15 -1.314 -11.280 2.052 107 HG1 THR 15 HG1 THR 15 -1.120 -12.189 3.911 108 1HG2 THR 15 HG21 THR 15 0.972 -10.349 3.237 109 2HG2 THR 15 HG22 THR 15 0.189 -8.873 2.674 110 3HG2 THR 15 HG23 THR 15 0.543 -10.173 1.536 111 H CYS 16 HN CYS 16 -0.877 -7.630 3.794 112 HA CYS 16 HA CYS 16 -1.190 -7.852 6.523 113 1HB CYS 16 HB2 CYS 16 0.390 -6.280 5.796 114 2HB CYS 16 HB1 CYS 16 -0.738 -5.519 4.686 115 H ARG 17 HN ARG 17 -3.095 -5.827 4.294 116 HA ARG 17 HA ARG 17 -5.012 -4.979 6.155 117 1HB ARG 17 HB2 ARG 17 -4.695 -4.982 3.249 118 2HB ARG 17 HB1 ARG 17 -6.375 -5.109 3.751 119 1HG ARG 17 HG2 ARG 17 -5.533 -3.114 5.362 120 2HG ARG 17 HG1 ARG 17 -4.501 -2.854 3.954 121 1HD ARG 17 HD2 ARG 17 -6.217 -2.176 2.669 122 2HD ARG 17 HD1 ARG 17 -7.314 -3.391 3.323 123 HE ARG 17 HE ARG 17 -7.176 -0.680 4.084 124 1HH1 ARG 17 HH11 ARG 17 -7.580 -3.863 5.455 125 2HH1 ARG 17 HH12 ARG 17 -8.499 -3.299 6.810 126 1HH2 ARG 17 HH21 ARG 17 -8.382 0.063 5.866 127 2HH2 ARG 17 HH22 ARG 17 -8.954 -1.069 7.044 128 H LEU 18 HN LEU 18 -4.751 -7.891 4.218 129 HA LEU 18 HA LEU 18 -7.350 -8.867 4.552 130 1HB LEU 18 HB2 LEU 18 -6.583 -10.570 3.305 131 2HB LEU 18 HB1 LEU 18 -5.077 -9.685 3.240 132 HG LEU 18 HG LEU 18 -4.431 -10.964 5.349 133 1HD1 LEU 18 HD11 LEU 18 -6.089 -12.168 6.249 134 2HD1 LEU 18 HD12 LEU 18 -5.753 -13.333 4.968 135 3HD1 LEU 18 HD13 LEU 18 -7.036 -12.141 4.761 136 1HD2 LEU 18 HD21 LEU 18 -4.495 -11.835 2.554 137 2HD2 LEU 18 HD22 LEU 18 -4.231 -13.134 3.717 138 3HD2 LEU 18 HD23 LEU 18 -3.145 -11.745 3.685 139 H GLY 19 HN GLY 19 -4.687 -8.708 6.725 140 1HA GLY 19 HA2 GLY 19 -6.054 -10.520 8.590 141 2HA GLY 19 HA1 GLY 19 -4.354 -10.088 8.670 142 H GLY 20 HN GLY 20 -6.632 -7.577 7.998 143 1HA GLY 20 HA2 GLY 20 -7.382 -5.805 9.252 144 2HA GLY 20 HA1 GLY 20 -7.239 -6.843 10.663 145 H GLY 21 HN GLY 21 -5.033 -5.277 8.354 146 1HA GLY 21 HA2 GLY 21 -3.486 -4.292 10.657 147 2HA GLY 21 HA1 GLY 21 -2.718 -4.901 9.198 148 H SER 22 HN SER 22 -3.441 -2.199 10.778 149 HA SER 22 HA SER 22 -4.620 -0.338 9.236 150 1HB SER 22 HB2 SER 22 -2.030 0.643 10.199 151 2HB SER 22 HB1 SER 22 -3.663 1.175 10.600 152 HG SER 22 HG SER 22 -3.647 -0.069 12.302 153 H ARG 23 HN ARG 23 -3.938 1.215 7.693 154 HA ARG 23 HA ARG 23 -2.646 0.112 5.465 155 1HB ARG 23 HB2 ARG 23 -3.971 2.587 6.171 156 2HB ARG 23 HB1 ARG 23 -2.571 2.888 5.156 157 1HG ARG 23 HG2 ARG 23 -4.647 2.627 3.870 158 2HG ARG 23 HG1 ARG 23 -3.435 1.416 3.453 159 1HD ARG 23 HD2 ARG 23 -5.443 0.218 3.611 160 2HD ARG 23 HD1 ARG 23 -4.610 -0.097 5.133 161 HE ARG 23 HE ARG 23 -6.358 0.879 6.211 162 1HH1 ARG 23 HH11 ARG 23 -6.316 2.059 2.927 163 2HH1 ARG 23 HH12 ARG 23 -7.777 2.971 3.103 164 1HH2 ARG 23 HH21 ARG 23 -8.281 2.078 6.445 165 2HH2 ARG 23 HH22 ARG 23 -8.893 2.982 5.101 166 H GLU 24 HN GLU 24 -1.557 2.298 7.970 167 HA GLU 24 HA GLU 24 0.976 2.845 6.802 168 1HB GLU 24 HB2 GLU 24 0.525 3.062 9.747 169 2HB GLU 24 HB1 GLU 24 1.398 4.142 8.669 170 1HG GLU 24 HG2 GLU 24 -0.914 4.633 7.648 171 2HG GLU 24 HG1 GLU 24 -1.547 3.915 9.128 172 H ARG 25 HN ARG 25 -0.179 0.424 9.081 173 HA ARG 25 HA ARG 25 2.256 -0.495 10.055 174 1HB ARG 25 HB2 ARG 25 0.077 -1.225 10.933 175 2HB ARG 25 HB1 ARG 25 -0.227 -2.109 9.445 176 1HG ARG 25 HG2 ARG 25 0.471 -3.661 11.115 177 2HG ARG 25 HG1 ARG 25 1.770 -3.503 9.929 178 1HD ARG 25 HD2 ARG 25 2.832 -3.459 12.029 179 2HD ARG 25 HD1 ARG 25 2.787 -1.780 11.493 180 HE ARG 25 HE ARG 25 1.408 -1.288 13.253 181 1HH1 ARG 25 HH11 ARG 25 1.524 -4.752 12.841 182 2HH1 ARG 25 HH12 ARG 25 0.663 -5.080 14.306 183 1HH2 ARG 25 HH21 ARG 25 0.276 -1.719 15.181 184 2HH2 ARG 25 HH22 ARG 25 -0.045 -3.359 15.635 185 H CYS 26 HN CYS 26 0.462 -1.561 7.189 186 HA CYS 26 HA CYS 26 2.468 -3.415 6.370 187 1HB CYS 26 HB2 CYS 26 0.804 -2.428 4.186 188 2HB CYS 26 HB1 CYS 26 1.002 -4.061 4.798 189 H ALA 27 HN ALA 27 1.709 -0.069 5.595 190 HA ALA 27 HA ALA 27 3.411 0.320 3.436 191 1HB ALA 27 HB1 ALA 27 1.727 1.919 4.787 192 2HB ALA 27 HB2 ALA 27 2.948 2.527 3.668 193 3HB ALA 27 HB3 ALA 27 3.266 2.523 5.403 194 H SER 28 HN SER 28 4.099 0.655 6.909 195 HA SER 28 HA SER 28 6.850 1.267 6.528 196 1HB SER 28 HB2 SER 28 7.042 0.842 8.969 197 2HB SER 28 HB1 SER 28 5.709 1.931 8.581 198 HG SER 28 HG SER 28 5.633 -0.753 9.414 199 H LEU 29 HN LEU 29 4.985 -1.626 6.644 200 HA LEU 29 HA LEU 29 7.050 -3.448 7.331 201 1HB LEU 29 HB2 LEU 29 4.353 -3.611 7.099 202 2HB LEU 29 HB1 LEU 29 4.848 -4.407 5.618 203 HG LEU 29 HG LEU 29 4.447 -5.960 7.519 204 1HD1 LEU 29 HD11 LEU 29 6.833 -7.026 7.309 205 2HD1 LEU 29 HD12 LEU 29 7.048 -5.778 6.082 206 3HD1 LEU 29 HD13 LEU 29 5.748 -6.958 5.921 207 1HD2 LEU 29 HD21 LEU 29 7.027 -5.050 8.712 208 2HD2 LEU 29 HD22 LEU 29 5.709 -5.966 9.444 209 3HD2 LEU 29 HD23 LEU 29 5.524 -4.237 9.150 210 H SER 30 HN SER 30 5.461 -2.827 4.187 211 HA SER 30 HA SER 30 7.694 -4.110 2.834 212 1HB SER 30 HB2 SER 30 4.966 -4.004 2.317 213 2HB SER 30 HB1 SER 30 5.676 -2.966 1.082 214 HG SER 30 HG SER 30 5.509 -5.380 0.728 215 H GLY 31 HN GLY 31 6.147 -0.941 3.033 216 1HA GLY 31 HA2 GLY 31 7.631 1.004 2.993 217 2HA GLY 31 HA1 GLY 31 8.548 0.190 1.734 218 H CYS 32 HN CYS 32 5.079 0.072 1.690 219 HA CYS 32 HA CYS 32 4.993 1.300 -0.886 220 1HB CYS 32 HB2 CYS 32 2.848 0.335 1.008 221 2HB CYS 32 HB1 CYS 32 2.502 1.008 -0.576 222 H LYS 33 HN LYS 33 2.907 2.878 -1.081 223 HA LYS 33 HA LYS 33 3.321 5.052 0.858 224 1HB LYS 33 HB2 LYS 33 4.417 5.415 -1.402 225 2HB LYS 33 HB1 LYS 33 2.797 5.470 -2.083 226 1HG LYS 33 HG2 LYS 33 3.814 7.697 -1.625 227 2HG LYS 33 HG1 LYS 33 2.253 7.427 -0.848 228 1HD LYS 33 HD2 LYS 33 3.919 8.523 0.630 229 2HD LYS 33 HD1 LYS 33 3.322 6.989 1.264 230 1HE LYS 33 HE2 LYS 33 5.370 6.116 1.286 231 2HE LYS 33 HE1 LYS 33 5.660 6.596 -0.384 232 1HZ LYS 33 HZ1 LYS 33 6.365 8.746 0.338 233 2HZ LYS 33 HZ2 LYS 33 7.225 7.591 1.224 234 3HZ LYS 33 HZ3 LYS 33 5.936 8.418 1.942 235 H ILE 34 HN ILE 34 1.528 6.160 1.524 236 HA ILE 34 HA ILE 34 -1.010 4.882 1.009 237 HB ILE 34 HB ILE 34 -0.124 5.807 3.273 238 1HG1 ILE 34 HG12 ILE 34 -2.497 6.296 3.972 239 2HG1 ILE 34 HG11 ILE 34 -2.946 6.183 2.272 240 1HG2 ILE 34 HG21 ILE 34 -1.481 8.298 2.269 241 2HG2 ILE 34 HG22 ILE 34 0.268 8.101 2.349 242 3HG2 ILE 34 HG23 ILE 34 -0.692 8.051 3.826 243 1HD1 ILE 34 HD11 ILE 34 -2.301 3.888 2.187 244 2HD1 ILE 34 HD12 ILE 34 -3.352 4.116 3.584 245 3HD1 ILE 34 HD13 ILE 34 -1.608 3.973 3.807 246 H ILE 35 HN ILE 35 -2.700 5.678 -0.137 247 HA ILE 35 HA ILE 35 -2.267 7.508 -2.193 248 HB ILE 35 HB ILE 35 -5.027 7.098 -1.100 249 1HG1 ILE 35 HG12 ILE 35 -4.164 4.865 -1.034 250 2HG1 ILE 35 HG11 ILE 35 -5.118 4.999 -2.506 251 1HG2 ILE 35 HG21 ILE 35 -5.338 8.341 -2.943 252 2HG2 ILE 35 HG22 ILE 35 -5.167 6.798 -3.778 253 3HG2 ILE 35 HG23 ILE 35 -3.785 7.885 -3.642 254 1HD1 ILE 35 HD11 ILE 35 -2.261 4.498 -2.151 255 2HD1 ILE 35 HD12 ILE 35 -2.652 5.669 -3.411 256 3HD1 ILE 35 HD13 ILE 35 -3.344 4.048 -3.469 257 H SER 36 HN SER 36 -3.361 9.570 -2.569 258 HA SER 36 HA SER 36 -4.260 11.107 -0.312 259 1HB SER 36 HB2 SER 36 -1.660 11.092 -0.286 260 2HB SER 36 HB1 SER 36 -1.801 12.187 -1.661 261 HG SER 36 HG SER 36 -1.679 13.244 0.412 262 H ALA 37 HN ALA 37 -4.970 10.292 -3.146 263 HA ALA 37 HA ALA 37 -6.455 12.516 -3.880 264 1HB ALA 37 HB1 ALA 37 -3.807 13.002 -4.465 265 2HB ALA 37 HB2 ALA 37 -5.195 13.826 -5.178 266 3HB ALA 37 HB3 ALA 37 -4.465 12.450 -6.005 267 H SER 38 HN SER 38 -6.614 9.636 -3.769 268 HA SER 38 HA SER 38 -7.677 7.970 -4.897 269 1HB SER 38 HB2 SER 38 -8.439 10.346 -6.310 270 2HB SER 38 HB1 SER 38 -8.173 9.051 -7.477 271 HG SER 38 HG SER 38 -10.159 9.357 -5.620 272 H THR 39 HN THR 39 -5.873 9.764 -7.408 273 HA THR 39 HA THR 39 -5.012 7.489 -8.787 274 HB THR 39 HB THR 39 -4.791 9.394 -10.059 275 HG1 THR 39 HG1 THR 39 -2.149 9.438 -9.116 276 1HG2 THR 39 HG21 THR 39 -4.895 11.362 -9.045 277 2HG2 THR 39 HG22 THR 39 -3.141 11.258 -8.889 278 3HG2 THR 39 HG23 THR 39 -4.177 10.731 -7.563 279 H CYS 40 HN CYS 40 -2.632 9.589 -7.182 280 HA CYS 40 HA CYS 40 -1.673 7.813 -5.290 281 1HB CYS 40 HB2 CYS 40 -0.878 7.131 -8.006 282 2HB CYS 40 HB1 CYS 40 0.513 7.420 -6.968 283 HA PRO 41 HA PRO 41 0.496 11.540 -4.309 284 1HB PRO 41 HB2 PRO 41 2.471 10.447 -2.719 285 2HB PRO 41 HB1 PRO 41 0.838 10.836 -2.171 286 1HG PRO 41 HG2 PRO 41 1.982 8.206 -3.005 287 2HG PRO 41 HG1 PRO 41 0.852 8.574 -1.691 288 1HD PRO 41 HD2 PRO 41 0.025 7.500 -4.013 289 2HD PRO 41 HD1 PRO 41 -0.969 8.662 -3.111 290 H SER 42 HN SER 42 3.046 9.066 -4.355 291 HA SER 42 HA SER 42 4.832 10.761 -5.772 292 1HB SER 42 HB2 SER 42 4.903 8.019 -4.658 293 2HB SER 42 HB1 SER 42 5.999 8.329 -6.005 294 HG SER 42 HG SER 42 6.854 10.074 -4.824 295 H ASP 43 HN ASP 43 4.210 7.449 -6.850 296 HA ASP 43 HA ASP 43 2.843 8.035 -9.217 297 1HB ASP 43 HB2 ASP 43 4.955 9.244 -9.767 298 2HB ASP 43 HB1 ASP 43 5.821 7.717 -9.640 299 H TYR 44 HN TYR 44 2.865 6.029 -7.196 300 HA TYR 44 HA TYR 44 3.727 3.650 -8.681 301 1HB TYR 44 HB2 TYR 44 2.787 3.453 -5.860 302 2HB TYR 44 HB1 TYR 44 4.018 2.526 -6.698 303 HD1 TYR 44 HD1 TYR 44 3.580 4.712 -4.116 304 HD2 TYR 44 HD2 TYR 44 6.048 4.201 -7.542 305 HE1 TYR 44 HE1 TYR 44 5.324 6.080 -3.053 306 HE2 TYR 44 HE2 TYR 44 7.801 5.567 -6.489 307 HH TYR 44 HH TYR 44 8.487 6.209 -4.162 308 HA PRO 45 HA PRO 45 -0.909 3.756 -9.100 309 1HB PRO 45 HB2 PRO 45 -0.939 2.960 -11.700 310 2HB PRO 45 HB1 PRO 45 -0.793 4.653 -11.212 311 1HG PRO 45 HG2 PRO 45 1.345 2.733 -12.050 312 2HG PRO 45 HG1 PRO 45 1.127 4.433 -12.504 313 1HD PRO 45 HD2 PRO 45 2.898 3.660 -10.615 314 2HD PRO 45 HD1 PRO 45 2.035 5.209 -10.530 315 H LYS 46 HN LYS 46 -0.016 1.831 -7.611 316 HA LYS 46 HA LYS 46 -1.329 -0.507 -8.534 317 1HB LYS 46 HB2 LYS 46 1.314 -0.317 -9.373 318 2HB LYS 46 HB1 LYS 46 1.390 -1.363 -7.962 319 1HG LYS 46 HG2 LYS 46 1.135 -2.687 -9.959 320 2HG LYS 46 HG1 LYS 46 -0.318 -2.815 -8.967 321 1HD LYS 46 HD2 LYS 46 -1.473 -1.237 -10.387 322 2HD LYS 46 HD1 LYS 46 -0.006 -0.963 -11.328 323 1HE LYS 46 HE2 LYS 46 -1.417 -3.616 -11.083 324 2HE LYS 46 HE1 LYS 46 -1.623 -2.492 -12.427 325 1HZ LYS 46 HZ1 LYS 46 0.015 -3.734 -13.308 326 2HZ LYS 46 HZ2 LYS 46 0.598 -4.258 -11.810 327 3HZ LYS 46 HZ3 LYS 46 1.019 -2.727 -12.391 Start of MODEL 9 1 1H LYS 1 HT1 LYS 1 -6.534 3.670 -6.037 2 2H LYS 1 HT2 LYS 1 -5.752 5.080 -6.622 3 3H LYS 1 HT3 LYS 1 -7.359 5.173 -6.028 4 HA LYS 1 HA LYS 1 -5.740 6.039 -4.478 5 1HB LYS 1 HB2 LYS 1 -6.552 4.665 -2.554 6 2HB LYS 1 HB1 LYS 1 -7.831 5.180 -3.642 7 1HG LYS 1 HG2 LYS 1 -8.167 2.880 -2.952 8 2HG LYS 1 HG1 LYS 1 -7.836 2.959 -4.684 9 1HD LYS 1 HD2 LYS 1 -5.734 2.034 -4.457 10 2HD LYS 1 HD1 LYS 1 -5.581 2.545 -2.777 11 1HE LYS 1 HE2 LYS 1 -6.364 0.615 -2.039 12 2HE LYS 1 HE1 LYS 1 -7.772 0.713 -3.096 13 1HZ LYS 1 HZ1 LYS 1 -6.379 -0.160 -4.909 14 2HZ LYS 1 HZ2 LYS 1 -6.493 -1.244 -3.616 15 3HZ LYS 1 HZ3 LYS 1 -5.088 -0.329 -3.830 16 H SER 2 HN SER 2 -4.692 4.770 -2.395 17 HA SER 2 HA SER 2 -2.750 3.908 -1.634 18 1HB SER 2 HB2 SER 2 -2.284 1.574 -2.358 19 2HB SER 2 HB1 SER 2 -3.954 1.840 -1.870 20 HG SER 2 HG SER 2 -3.199 2.083 -4.571 21 H CYS 3 HN CYS 3 -0.512 3.110 -2.195 22 HA CYS 3 HA CYS 3 0.456 3.409 -4.850 23 1HB CYS 3 HB2 CYS 3 -0.069 5.817 -3.950 24 2HB CYS 3 HB1 CYS 3 1.465 5.618 -3.111 25 H CYS 4 HN CYS 4 1.607 1.528 -4.490 26 HA CYS 4 HA CYS 4 3.837 1.726 -2.558 27 1HB CYS 4 HB2 CYS 4 1.947 -0.239 -2.583 28 2HB CYS 4 HB1 CYS 4 3.177 -0.952 -3.612 29 HA PRO 5 HA PRO 5 6.836 1.743 -5.756 30 1HB PRO 5 HB2 PRO 5 7.956 -0.734 -4.513 31 2HB PRO 5 HB1 PRO 5 8.787 0.742 -5.022 32 1HG PRO 5 HG2 PRO 5 8.278 0.338 -2.457 33 2HG PRO 5 HG1 PRO 5 8.051 1.948 -3.167 34 1HD PRO 5 HD2 PRO 5 6.018 -0.096 -2.413 35 2HD PRO 5 HD1 PRO 5 5.928 1.672 -2.297 36 H ASN 6 HN ASN 6 5.247 -1.357 -5.114 37 HA ASN 6 HA ASN 6 4.581 -1.783 -7.791 38 1HB ASN 6 HB2 ASN 6 6.154 -3.835 -8.118 39 2HB ASN 6 HB1 ASN 6 6.765 -2.218 -8.457 40 1HD2 ASN 6 HD21 ASN 6 8.843 -3.305 -8.178 41 2HD2 ASN 6 HD22 ASN 6 9.494 -3.452 -6.585 42 H THR 7 HN THR 7 4.256 -4.346 -8.151 43 HA THR 7 HA THR 7 2.174 -5.117 -6.513 44 HB THR 7 HB THR 7 2.265 -7.255 -7.578 45 HG1 THR 7 HG1 THR 7 4.116 -7.970 -8.644 46 1HG2 THR 7 HG21 THR 7 2.036 -6.665 -9.743 47 2HG2 THR 7 HG22 THR 7 3.535 -5.737 -9.767 48 3HG2 THR 7 HG23 THR 7 2.081 -5.046 -9.047 49 H THR 8 HN THR 8 5.603 -5.962 -6.264 50 HA THR 8 HA THR 8 5.525 -7.901 -4.312 51 HB THR 8 HB THR 8 7.736 -6.615 -3.528 52 HG1 THR 8 HG1 THR 8 7.075 -4.807 -4.936 53 1HG2 THR 8 HG21 THR 8 7.645 -8.799 -4.704 54 2HG2 THR 8 HG22 THR 8 9.007 -7.781 -5.172 55 3HG2 THR 8 HG23 THR 8 7.605 -7.920 -6.232 56 H GLY 9 HN GLY 9 5.007 -4.465 -4.011 57 1HA GLY 9 HA2 GLY 9 5.026 -4.543 -1.106 58 2HA GLY 9 HA1 GLY 9 4.696 -3.139 -2.115 59 H ARG 10 HN ARG 10 2.698 -4.167 -3.743 60 HA ARG 10 HA ARG 10 0.377 -3.689 -2.326 61 1HB ARG 10 HB2 ARG 10 0.987 -5.087 -4.894 62 2HB ARG 10 HB1 ARG 10 -0.627 -5.270 -4.225 63 1HG ARG 10 HG2 ARG 10 0.677 -2.617 -4.780 64 2HG ARG 10 HG1 ARG 10 -0.404 -3.451 -5.897 65 1HD ARG 10 HD2 ARG 10 -1.578 -3.293 -3.272 66 2HD ARG 10 HD1 ARG 10 -1.097 -1.702 -3.838 67 HE ARG 10 HE ARG 10 -2.404 -2.739 -5.958 68 1HH1 ARG 10 HH11 ARG 10 -3.220 -2.255 -2.605 69 2HH1 ARG 10 HH12 ARG 10 -4.921 -2.148 -2.905 70 1HH2 ARG 10 HH21 ARG 10 -4.636 -2.588 -6.362 71 2HH2 ARG 10 HH22 ARG 10 -5.727 -2.334 -5.042 72 H ASN 11 HN ASN 11 2.150 -6.674 -2.783 73 HA ASN 11 HA ASN 11 0.247 -8.491 -1.838 74 1HB ASN 11 HB2 ASN 11 3.241 -8.486 -2.038 75 2HB ASN 11 HB1 ASN 11 2.405 -9.818 -1.260 76 1HD2 ASN 11 HD21 ASN 11 3.788 -8.983 -4.015 77 2HD2 ASN 11 HD22 ASN 11 2.838 -9.877 -5.149 78 H ILE 12 HN ILE 12 2.952 -6.938 -0.076 79 HA ILE 12 HA ILE 12 2.278 -8.082 2.403 80 HB ILE 12 HB ILE 12 3.812 -5.552 1.802 81 1HG1 ILE 12 HG12 ILE 12 5.627 -7.287 2.762 82 2HG1 ILE 12 HG11 ILE 12 4.489 -8.432 2.056 83 1HG2 ILE 12 HG21 ILE 12 2.986 -6.755 4.361 84 2HG2 ILE 12 HG22 ILE 12 3.421 -5.090 3.975 85 3HG2 ILE 12 HG23 ILE 12 4.684 -6.290 4.247 86 1HD1 ILE 12 HD11 ILE 12 5.361 -8.064 0.067 87 2HD1 ILE 12 HD12 ILE 12 6.490 -6.908 0.773 88 3HD1 ILE 12 HD13 ILE 12 4.922 -6.360 0.178 89 H TYR 13 HN TYR 13 1.470 -4.889 1.052 90 HA TYR 13 HA TYR 13 0.025 -4.013 3.291 91 1HB TYR 13 HB2 TYR 13 0.871 -2.822 1.067 92 2HB TYR 13 HB1 TYR 13 -0.782 -3.143 0.567 93 HD1 TYR 13 HD1 TYR 13 -2.670 -2.208 1.975 94 HD2 TYR 13 HD2 TYR 13 1.386 -1.058 2.528 95 HE1 TYR 13 HE1 TYR 13 -3.411 -0.210 3.204 96 HE2 TYR 13 HE2 TYR 13 0.659 0.942 3.757 97 HH TYR 13 HH TYR 13 -1.176 1.830 4.910 98 H ASN 14 HN ASN 14 -0.963 -5.749 0.371 99 HA ASN 14 HA ASN 14 -3.724 -5.747 0.903 100 1HB ASN 14 HB2 ASN 14 -1.907 -7.312 -0.881 101 2HB ASN 14 HB1 ASN 14 -3.567 -7.833 -0.671 102 1HD2 ASN 14 HD21 ASN 14 -2.045 -4.633 -0.953 103 2HD2 ASN 14 HD22 ASN 14 -3.024 -4.103 -2.271 104 H THR 15 HN THR 15 -1.269 -8.332 1.381 105 HA THR 15 HA THR 15 -3.093 -10.087 2.655 106 HB THR 15 HB THR 15 -0.193 -10.193 3.330 107 HG1 THR 15 HG1 THR 15 0.239 -9.981 1.280 108 1HG2 THR 15 HG21 THR 15 -2.082 -12.332 2.398 109 2HG2 THR 15 HG22 THR 15 -1.725 -11.965 4.086 110 3HG2 THR 15 HG23 THR 15 -0.447 -12.553 3.020 111 H CYS 16 HN CYS 16 -0.883 -7.618 3.846 112 HA CYS 16 HA CYS 16 -0.988 -8.098 6.571 113 1HB CYS 16 HB2 CYS 16 0.522 -6.452 5.891 114 2HB CYS 16 HB1 CYS 16 -0.669 -5.629 4.900 115 H ARG 17 HN ARG 17 -3.039 -5.836 4.710 116 HA ARG 17 HA ARG 17 -4.834 -5.286 6.801 117 1HB ARG 17 HB2 ARG 17 -4.710 -4.834 3.917 118 2HB ARG 17 HB1 ARG 17 -6.353 -5.097 4.483 119 1HG ARG 17 HG2 ARG 17 -4.722 -3.224 6.071 120 2HG ARG 17 HG1 ARG 17 -5.158 -2.700 4.444 121 1HD ARG 17 HD2 ARG 17 -7.332 -3.899 6.030 122 2HD ARG 17 HD1 ARG 17 -6.723 -2.351 6.617 123 HE ARG 17 HE ARG 17 -7.261 -2.330 3.808 124 1HH1 ARG 17 HH11 ARG 17 -8.721 -2.024 6.962 125 2HH1 ARG 17 HH12 ARG 17 -10.050 -1.071 6.392 126 1HH2 ARG 17 HH21 ARG 17 -9.008 -1.077 3.056 127 2HH2 ARG 17 HH22 ARG 17 -10.214 -0.534 4.174 128 H LEU 18 HN LEU 18 -4.752 -7.780 4.340 129 HA LEU 18 HA LEU 18 -7.254 -8.940 4.774 130 1HB LEU 18 HB2 LEU 18 -4.782 -9.581 3.398 131 2HB LEU 18 HB1 LEU 18 -5.541 -11.017 4.052 132 HG LEU 18 HG LEU 18 -6.793 -9.036 2.155 133 1HD1 LEU 18 HD11 LEU 18 -5.983 -11.911 1.754 134 2HD1 LEU 18 HD12 LEU 18 -5.117 -10.506 1.133 135 3HD1 LEU 18 HD13 LEU 18 -6.745 -10.863 0.558 136 1HD2 LEU 18 HD21 LEU 18 -7.920 -11.242 3.781 137 2HD2 LEU 18 HD22 LEU 18 -8.490 -11.084 2.119 138 3HD2 LEU 18 HD23 LEU 18 -8.662 -9.735 3.242 139 H GLY 19 HN GLY 19 -4.379 -9.026 6.653 140 1HA GLY 19 HA2 GLY 19 -5.419 -11.273 8.232 141 2HA GLY 19 HA1 GLY 19 -3.749 -10.734 8.227 142 H GLY 20 HN GLY 20 -6.244 -8.340 8.321 143 1HA GLY 20 HA2 GLY 20 -6.966 -6.930 9.984 144 2HA GLY 20 HA1 GLY 20 -6.551 -8.192 11.134 145 H GLY 21 HN GLY 21 -4.803 -6.000 8.937 146 1HA GLY 21 HA2 GLY 21 -3.147 -5.181 11.224 147 2HA GLY 21 HA1 GLY 21 -2.402 -5.642 9.701 148 H SER 22 HN SER 22 -3.185 -3.091 11.488 149 HA SER 22 HA SER 22 -4.537 -1.204 10.119 150 1HB SER 22 HB2 SER 22 -1.946 -0.179 11.068 151 2HB SER 22 HB1 SER 22 -3.584 0.288 11.525 152 HG SER 22 HG SER 22 -3.575 -1.147 13.099 153 H ARG 23 HN ARG 23 -3.952 0.520 8.673 154 HA ARG 23 HA ARG 23 -2.689 -0.395 6.336 155 1HB ARG 23 HB2 ARG 23 -4.109 1.973 7.226 156 2HB ARG 23 HB1 ARG 23 -2.786 2.375 6.145 157 1HG ARG 23 HG2 ARG 23 -4.052 1.828 4.416 158 2HG ARG 23 HG1 ARG 23 -4.137 0.170 5.015 159 1HD ARG 23 HD2 ARG 23 -6.216 0.441 5.854 160 2HD ARG 23 HD1 ARG 23 -5.910 2.104 6.355 161 HE ARG 23 HE ARG 23 -7.082 1.230 3.891 162 1HH1 ARG 23 HH11 ARG 23 -5.242 3.779 5.407 163 2HH1 ARG 23 HH12 ARG 23 -5.748 4.987 4.275 164 1HH2 ARG 23 HH21 ARG 23 -7.748 2.817 2.400 165 2HH2 ARG 23 HH22 ARG 23 -7.171 4.443 2.568 166 H GLU 24 HN GLU 24 -1.619 1.608 8.983 167 HA GLU 24 HA GLU 24 0.812 2.456 7.780 168 1HB GLU 24 HB2 GLU 24 0.513 2.289 10.746 169 2HB GLU 24 HB1 GLU 24 1.244 3.553 9.765 170 1HG GLU 24 HG2 GLU 24 -1.156 3.980 8.931 171 2HG GLU 24 HG1 GLU 24 -1.645 3.054 10.349 172 H ARG 25 HN ARG 25 -0.067 -0.251 9.866 173 HA ARG 25 HA ARG 25 2.465 -1.138 10.578 174 1HB ARG 25 HB2 ARG 25 0.382 -2.069 11.498 175 2HB ARG 25 HB1 ARG 25 0.029 -2.817 9.946 176 1HG ARG 25 HG2 ARG 25 2.642 -3.481 11.141 177 2HG ARG 25 HG1 ARG 25 1.216 -4.095 11.981 178 1HD ARG 25 HD2 ARG 25 0.427 -5.062 9.842 179 2HD ARG 25 HD1 ARG 25 1.925 -4.528 9.082 180 HE ARG 25 HE ARG 25 2.988 -6.314 10.025 181 1HH1 ARG 25 HH11 ARG 25 -0.018 -5.793 11.717 182 2HH1 ARG 25 HH12 ARG 25 0.122 -7.234 12.667 183 1HH2 ARG 25 HH21 ARG 25 3.176 -8.209 11.275 184 2HH2 ARG 25 HH22 ARG 25 1.935 -8.605 12.418 185 H CYS 26 HN CYS 26 0.566 -1.917 7.692 186 HA CYS 26 HA CYS 26 2.554 -3.627 6.573 187 1HB CYS 26 HB2 CYS 26 0.791 -2.393 4.599 188 2HB CYS 26 HB1 CYS 26 1.035 -4.088 4.984 189 H ALA 27 HN ALA 27 1.735 -0.224 6.248 190 HA ALA 27 HA ALA 27 3.315 0.483 4.089 191 1HB ALA 27 HB1 ALA 27 3.415 2.739 5.114 192 2HB ALA 27 HB2 ALA 27 2.717 2.064 6.586 193 3HB ALA 27 HB3 ALA 27 1.789 2.057 5.088 194 H SER 28 HN SER 28 4.229 0.327 7.526 195 HA SER 28 HA SER 28 6.932 1.050 7.107 196 1HB SER 28 HB2 SER 28 5.787 1.199 9.310 197 2HB SER 28 HB1 SER 28 5.758 -0.561 9.386 198 HG SER 28 HG SER 28 7.581 -0.100 10.428 199 H LEU 29 HN LEU 29 5.164 -1.916 6.855 200 HA LEU 29 HA LEU 29 7.364 -3.710 6.991 201 1HB LEU 29 HB2 LEU 29 4.682 -4.009 7.044 202 2HB LEU 29 HB1 LEU 29 4.996 -4.451 5.378 203 HG LEU 29 HG LEU 29 4.913 -6.388 6.929 204 1HD1 LEU 29 HD11 LEU 29 6.565 -5.963 4.812 205 2HD1 LEU 29 HD12 LEU 29 6.366 -7.506 5.643 206 3HD1 LEU 29 HD13 LEU 29 7.711 -6.446 6.064 207 1HD2 LEU 29 HD21 LEU 29 7.599 -5.766 7.984 208 2HD2 LEU 29 HD22 LEU 29 6.254 -6.626 8.732 209 3HD2 LEU 29 HD23 LEU 29 6.253 -4.863 8.680 210 H SER 30 HN SER 30 5.384 -2.713 4.192 211 HA SER 30 HA SER 30 7.536 -3.525 2.406 212 1HB SER 30 HB2 SER 30 4.661 -3.341 2.217 213 2HB SER 30 HB1 SER 30 5.420 -2.476 0.882 214 HG SER 30 HG SER 30 6.652 -4.402 0.495 215 H GLY 31 HN GLY 31 5.493 -0.642 2.906 216 1HA GLY 31 HA2 GLY 31 6.725 1.503 3.128 217 2HA GLY 31 HA1 GLY 31 7.702 0.963 1.773 218 H CYS 32 HN CYS 32 4.224 0.549 2.015 219 HA CYS 32 HA CYS 32 3.814 1.756 -0.531 220 1HB CYS 32 HB2 CYS 32 1.810 0.885 1.559 221 2HB CYS 32 HB1 CYS 32 1.448 1.270 -0.115 222 H LYS 33 HN LYS 33 1.762 3.270 -0.623 223 HA LYS 33 HA LYS 33 1.821 5.332 1.419 224 1HB LYS 33 HB2 LYS 33 3.490 5.656 -0.673 225 2HB LYS 33 HB1 LYS 33 2.022 6.327 -1.368 226 1HG LYS 33 HG2 LYS 33 2.960 7.223 1.320 227 2HG LYS 33 HG1 LYS 33 3.677 7.885 -0.149 228 1HD LYS 33 HD2 LYS 33 1.993 9.358 -0.103 229 2HD LYS 33 HD1 LYS 33 0.990 8.025 -0.681 230 1HE LYS 33 HE2 LYS 33 -0.172 8.009 1.207 231 2HE LYS 33 HE1 LYS 33 1.295 7.874 2.172 232 1HZ LYS 33 HZ1 LYS 33 0.088 9.854 2.767 233 2HZ LYS 33 HZ2 LYS 33 0.084 10.391 1.163 234 3HZ LYS 33 HZ3 LYS 33 1.541 10.293 2.018 235 H ILE 34 HN ILE 34 -0.178 6.111 1.753 236 HA ILE 34 HA ILE 34 -2.301 5.211 -0.027 237 HB ILE 34 HB ILE 34 -2.923 6.786 2.418 238 1HG1 ILE 34 HG12 ILE 34 -1.188 5.367 3.298 239 2HG1 ILE 34 HG11 ILE 34 -2.739 4.701 3.799 240 1HG2 ILE 34 HG21 ILE 34 -4.885 6.104 1.538 241 2HG2 ILE 34 HG22 ILE 34 -4.531 4.641 2.456 242 3HG2 ILE 34 HG23 ILE 34 -4.165 4.710 0.733 243 1HD1 ILE 34 HD11 ILE 34 -1.422 3.674 1.329 244 2HD1 ILE 34 HD12 ILE 34 -2.544 2.869 2.425 245 3HD1 ILE 34 HD13 ILE 34 -0.871 3.136 2.915 246 H ILE 35 HN ILE 35 -1.736 6.700 -1.749 247 HA ILE 35 HA ILE 35 -1.593 9.445 -1.576 248 HB ILE 35 HB ILE 35 -2.652 9.365 -3.947 249 1HG1 ILE 35 HG12 ILE 35 -1.813 6.663 -4.390 250 2HG1 ILE 35 HG11 ILE 35 -3.053 6.675 -3.144 251 1HG2 ILE 35 HG21 ILE 35 -0.027 8.435 -2.978 252 2HG2 ILE 35 HG22 ILE 35 -0.434 9.778 -4.047 253 3HG2 ILE 35 HG23 ILE 35 -0.399 8.130 -4.674 254 1HD1 ILE 35 HD11 ILE 35 -3.385 8.083 -5.770 255 2HD1 ILE 35 HD12 ILE 35 -4.622 7.681 -4.579 256 3HD1 ILE 35 HD13 ILE 35 -3.848 6.400 -5.513 257 H SER 36 HN SER 36 -4.538 7.593 -2.420 258 HA SER 36 HA SER 36 -6.741 8.010 -2.048 259 1HB SER 36 HB2 SER 36 -7.379 9.031 -0.077 260 2HB SER 36 HB1 SER 36 -5.692 8.670 0.287 261 HG SER 36 HG SER 36 -5.533 10.731 0.635 262 H ALA 37 HN ALA 37 -4.864 9.748 -3.831 263 HA ALA 37 HA ALA 37 -6.973 11.650 -4.575 264 1HB ALA 37 HB1 ALA 37 -5.189 12.825 -3.295 265 2HB ALA 37 HB2 ALA 37 -5.396 13.417 -4.943 266 3HB ALA 37 HB3 ALA 37 -4.042 12.356 -4.551 267 H SER 38 HN SER 38 -5.757 8.991 -5.538 268 HA SER 38 HA SER 38 -5.527 7.951 -7.540 269 1HB SER 38 HB2 SER 38 -6.901 10.416 -8.209 270 2HB SER 38 HB1 SER 38 -5.840 9.906 -9.521 271 HG SER 38 HG SER 38 -6.867 7.843 -9.406 272 H THR 39 HN THR 39 -4.290 11.255 -8.109 273 HA THR 39 HA THR 39 -2.095 10.469 -9.654 274 HB THR 39 HB THR 39 -1.906 12.900 -7.929 275 HG1 THR 39 HG1 THR 39 -3.885 13.364 -8.477 276 1HG2 THR 39 HG21 THR 39 -0.193 12.589 -9.595 277 2HG2 THR 39 HG22 THR 39 -1.216 13.959 -10.028 278 3HG2 THR 39 HG23 THR 39 -1.414 12.414 -10.855 279 H CYS 40 HN CYS 40 -0.285 9.446 -9.136 280 HA CYS 40 HA CYS 40 0.432 9.173 -6.316 281 1HB CYS 40 HB2 CYS 40 0.829 7.558 -8.753 282 2HB CYS 40 HB1 CYS 40 2.191 7.571 -7.639 283 HA PRO 41 HA PRO 41 3.821 11.975 -6.407 284 1HB PRO 41 HB2 PRO 41 5.675 10.520 -4.951 285 2HB PRO 41 HB1 PRO 41 4.394 11.516 -4.256 286 1HG PRO 41 HG2 PRO 41 4.477 8.562 -4.690 287 2HG PRO 41 HG1 PRO 41 3.811 9.480 -3.327 288 1HD PRO 41 HD2 PRO 41 2.228 8.421 -5.218 289 2HD PRO 41 HD1 PRO 41 1.854 9.983 -4.460 290 H SER 42 HN SER 42 5.452 8.813 -6.373 291 HA SER 42 HA SER 42 7.347 9.640 -8.319 292 1HB SER 42 HB2 SER 42 7.024 7.447 -6.526 293 2HB SER 42 HB1 SER 42 7.330 6.798 -8.137 294 HG SER 42 HG SER 42 8.989 8.216 -6.455 295 H ASP 43 HN ASP 43 5.509 6.621 -8.686 296 HA ASP 43 HA ASP 43 3.922 7.303 -10.845 297 1HB ASP 43 HB2 ASP 43 6.611 7.417 -11.602 298 2HB ASP 43 HB1 ASP 43 6.029 5.885 -12.248 299 H TYR 44 HN TYR 44 3.921 5.489 -8.617 300 HA TYR 44 HA TYR 44 3.565 2.960 -10.064 301 1HB TYR 44 HB2 TYR 44 3.917 1.932 -7.694 302 2HB TYR 44 HB1 TYR 44 5.311 2.403 -8.656 303 HD1 TYR 44 HD1 TYR 44 3.226 3.291 -5.751 304 HD2 TYR 44 HD2 TYR 44 6.749 4.187 -7.961 305 HE1 TYR 44 HE1 TYR 44 4.023 4.696 -3.899 306 HE2 TYR 44 HE2 TYR 44 7.556 5.593 -6.114 307 HH TYR 44 HH TYR 44 6.104 5.583 -3.023 308 HA PRO 45 HA PRO 45 -0.561 4.044 -8.425 309 1HB PRO 45 HB2 PRO 45 -1.972 3.274 -10.568 310 2HB PRO 45 HB1 PRO 45 -1.101 4.812 -10.540 311 1HG PRO 45 HG2 PRO 45 -0.326 2.218 -11.814 312 2HG PRO 45 HG1 PRO 45 -0.170 3.866 -12.447 313 1HD PRO 45 HD2 PRO 45 1.883 2.453 -11.285 314 2HD PRO 45 HD1 PRO 45 1.803 4.224 -11.349 315 H LYS 46 HN LYS 46 -0.659 2.460 -6.847 316 HA LYS 46 HA LYS 46 -1.092 -0.305 -7.651 317 1HB LYS 46 HB2 LYS 46 -0.423 -0.925 -5.551 318 2HB LYS 46 HB1 LYS 46 0.487 0.556 -5.762 319 1HG LYS 46 HG2 LYS 46 -1.253 1.762 -4.495 320 2HG LYS 46 HG1 LYS 46 -2.066 0.221 -4.213 321 1HD LYS 46 HD2 LYS 46 0.633 -0.131 -3.510 322 2HD LYS 46 HD1 LYS 46 0.122 1.391 -2.788 323 1HE LYS 46 HE2 LYS 46 -1.980 -0.400 -2.355 324 2HE LYS 46 HE1 LYS 46 -0.506 -1.312 -2.027 325 1HZ LYS 46 HZ1 LYS 46 -0.071 -0.107 -0.201 326 2HZ LYS 46 HZ2 LYS 46 -1.717 0.276 -0.248 327 3HZ LYS 46 HZ3 LYS 46 -0.580 1.350 -0.891 Start of MODEL 10 1 1H LYS 1 HT1 LYS 1 -7.883 3.054 -0.869 2 2H LYS 1 HT2 LYS 1 -7.654 1.573 -0.032 3 3H LYS 1 HT3 LYS 1 -8.996 1.768 -1.084 4 HA LYS 1 HA LYS 1 -7.517 0.506 -2.269 5 1HB LYS 1 HB2 LYS 1 -8.155 3.161 -2.992 6 2HB LYS 1 HB1 LYS 1 -6.495 2.900 -3.507 7 1HG LYS 1 HG2 LYS 1 -8.891 1.242 -4.262 8 2HG LYS 1 HG1 LYS 1 -8.004 2.357 -5.302 9 1HD LYS 1 HD2 LYS 1 -6.849 -0.124 -4.030 10 2HD LYS 1 HD1 LYS 1 -7.401 -0.003 -5.701 11 1HE LYS 1 HE2 LYS 1 -5.731 2.083 -5.651 12 2HE LYS 1 HE1 LYS 1 -4.967 1.086 -4.414 13 1HZ LYS 1 HZ1 LYS 1 -5.666 0.058 -7.106 14 2HZ LYS 1 HZ2 LYS 1 -4.671 -0.667 -5.947 15 3HZ LYS 1 HZ3 LYS 1 -4.157 0.733 -6.743 16 H SER 2 HN SER 2 -5.760 3.421 -1.211 17 HA SER 2 HA SER 2 -3.664 3.673 -0.343 18 1HB SER 2 HB2 SER 2 -2.584 1.923 0.682 19 2HB SER 2 HB1 SER 2 -4.190 1.211 0.534 20 HG SER 2 HG SER 2 -1.935 0.279 -0.434 21 H CYS 3 HN CYS 3 -1.353 3.456 -1.032 22 HA CYS 3 HA CYS 3 -1.146 2.930 -3.920 23 1HB CYS 3 HB2 CYS 3 -1.292 5.349 -3.571 24 2HB CYS 3 HB1 CYS 3 0.037 5.282 -2.428 25 H CYS 4 HN CYS 4 0.652 1.885 -4.595 26 HA CYS 4 HA CYS 4 2.870 1.550 -2.711 27 1HB CYS 4 HB2 CYS 4 1.160 -0.414 -2.730 28 2HB CYS 4 HB1 CYS 4 1.893 -0.810 -4.281 29 HA PRO 5 HA PRO 5 5.093 2.501 -6.397 30 1HB PRO 5 HB2 PRO 5 7.598 1.808 -5.595 31 2HB PRO 5 HB1 PRO 5 6.783 3.283 -5.068 32 1HG PRO 5 HG2 PRO 5 7.073 0.668 -3.646 33 2HG PRO 5 HG1 PRO 5 7.223 2.315 -3.004 34 1HD PRO 5 HD2 PRO 5 4.990 0.819 -2.677 35 2HD PRO 5 HD1 PRO 5 4.943 2.585 -2.819 36 H ASN 6 HN ASN 6 5.049 -0.713 -5.042 37 HA ASN 6 HA ASN 6 5.431 -1.811 -7.693 38 1HB ASN 6 HB2 ASN 6 7.339 -2.532 -5.460 39 2HB ASN 6 HB1 ASN 6 7.260 -3.325 -7.030 40 1HD2 ASN 6 HD21 ASN 6 7.965 -2.214 -8.865 41 2HD2 ASN 6 HD22 ASN 6 8.992 -0.830 -8.751 42 H THR 7 HN THR 7 4.818 -4.006 -7.885 43 HA THR 7 HA THR 7 2.614 -4.773 -6.370 44 HB THR 7 HB THR 7 2.989 -5.634 -8.608 45 HG1 THR 7 HG1 THR 7 1.755 -7.098 -7.709 46 1HG2 THR 7 HG21 THR 7 4.663 -7.150 -9.225 47 2HG2 THR 7 HG22 THR 7 5.168 -7.399 -7.554 48 3HG2 THR 7 HG23 THR 7 5.496 -5.862 -8.355 49 H THR 8 HN THR 8 6.022 -5.597 -6.024 50 HA THR 8 HA THR 8 5.862 -7.695 -4.222 51 HB THR 8 HB THR 8 8.059 -6.553 -3.293 52 HG1 THR 8 HG1 THR 8 8.411 -4.712 -4.207 53 1HG2 THR 8 HG21 THR 8 8.016 -8.568 -4.705 54 2HG2 THR 8 HG22 THR 8 9.364 -7.493 -5.076 55 3HG2 THR 8 HG23 THR 8 7.953 -7.535 -6.133 56 H GLY 9 HN GLY 9 5.316 -4.290 -3.735 57 1HA GLY 9 HA2 GLY 9 5.231 -4.601 -0.832 58 2HA GLY 9 HA1 GLY 9 5.054 -3.093 -1.724 59 H ARG 10 HN ARG 10 3.115 -3.959 -3.571 60 HA ARG 10 HA ARG 10 0.734 -3.391 -2.295 61 1HB ARG 10 HB2 ARG 10 0.784 -3.225 -4.654 62 2HB ARG 10 HB1 ARG 10 1.356 -4.875 -4.841 63 1HG ARG 10 HG2 ARG 10 -0.745 -5.424 -5.281 64 2HG ARG 10 HG1 ARG 10 -1.081 -5.170 -3.569 65 1HD ARG 10 HD2 ARG 10 -2.638 -3.765 -4.440 66 2HD ARG 10 HD1 ARG 10 -1.271 -2.652 -4.374 67 HE ARG 10 HE ARG 10 -1.202 -2.636 -6.661 68 1HH1 ARG 10 HH11 ARG 10 -3.250 -5.255 -5.602 69 2HH1 ARG 10 HH12 ARG 10 -3.844 -5.600 -7.191 70 1HH2 ARG 10 HH21 ARG 10 -1.983 -3.087 -8.753 71 2HH2 ARG 10 HH22 ARG 10 -3.125 -4.370 -8.981 72 H ASN 11 HN ASN 11 2.321 -6.483 -2.839 73 HA ASN 11 HA ASN 11 0.247 -8.177 -2.043 74 1HB ASN 11 HB2 ASN 11 3.177 -8.717 -1.597 75 2HB ASN 11 HB1 ASN 11 1.895 -9.867 -1.927 76 1HD2 ASN 11 HD21 ASN 11 4.405 -9.492 -3.313 77 2HD2 ASN 11 HD22 ASN 11 4.005 -9.140 -4.957 78 H ILE 12 HN ILE 12 3.096 -7.174 -0.105 79 HA ILE 12 HA ILE 12 2.162 -8.258 2.289 80 HB ILE 12 HB ILE 12 3.983 -5.889 1.854 81 1HG1 ILE 12 HG12 ILE 12 5.567 -7.834 2.801 82 2HG1 ILE 12 HG11 ILE 12 4.337 -8.836 2.037 83 1HG2 ILE 12 HG21 ILE 12 3.314 -7.375 4.388 84 2HG2 ILE 12 HG22 ILE 12 3.105 -5.655 4.058 85 3HG2 ILE 12 HG23 ILE 12 4.726 -6.334 4.207 86 1HD1 ILE 12 HD11 ILE 12 5.327 -6.628 0.386 87 2HD1 ILE 12 HD12 ILE 12 5.023 -8.315 -0.026 88 3HD1 ILE 12 HD13 ILE 12 6.520 -7.862 0.787 89 H TYR 13 HN TYR 13 1.687 -5.004 0.982 90 HA TYR 13 HA TYR 13 0.306 -3.925 3.156 91 1HB TYR 13 HB2 TYR 13 1.212 -2.971 0.832 92 2HB TYR 13 HB1 TYR 13 -0.470 -3.178 0.391 93 HD1 TYR 13 HD1 TYR 13 1.842 -1.436 2.668 94 HD2 TYR 13 HD2 TYR 13 -2.144 -1.665 1.201 95 HE1 TYR 13 HE1 TYR 13 1.343 0.735 3.703 96 HE2 TYR 13 HE2 TYR 13 -2.654 0.507 2.233 97 HH TYR 13 HH TYR 13 -0.237 2.574 3.451 98 H ASN 14 HN ASN 14 -0.833 -5.603 0.259 99 HA ASN 14 HA ASN 14 -3.575 -5.460 0.813 100 1HB ASN 14 HB2 ASN 14 -1.842 -7.076 -0.994 101 2HB ASN 14 HB1 ASN 14 -3.507 -7.578 -0.758 102 1HD2 ASN 14 HD21 ASN 14 -1.849 -4.459 -1.132 103 2HD2 ASN 14 HD22 ASN 14 -2.872 -3.874 -2.396 104 H THR 15 HN THR 15 -1.369 -8.296 1.160 105 HA THR 15 HA THR 15 -3.283 -9.869 2.482 106 HB THR 15 HB THR 15 -1.481 -11.090 1.673 107 HG1 THR 15 HG1 THR 15 -1.142 -12.232 3.391 108 1HG2 THR 15 HG21 THR 15 0.844 -10.375 2.984 109 2HG2 THR 15 HG22 THR 15 0.128 -8.838 2.499 110 3HG2 THR 15 HG23 THR 15 0.454 -10.081 1.290 111 H CYS 16 HN CYS 16 -0.841 -7.647 3.728 112 HA CYS 16 HA CYS 16 -1.031 -8.097 6.438 113 1HB CYS 16 HB2 CYS 16 0.562 -6.506 5.757 114 2HB CYS 16 HB1 CYS 16 -0.608 -5.611 4.799 115 H ARG 17 HN ARG 17 -2.961 -5.817 4.502 116 HA ARG 17 HA ARG 17 -4.762 -5.098 6.527 117 1HB ARG 17 HB2 ARG 17 -4.569 -4.815 3.620 118 2HB ARG 17 HB1 ARG 17 -6.227 -4.913 4.195 119 1HG ARG 17 HG2 ARG 17 -4.432 -3.084 5.663 120 2HG ARG 17 HG1 ARG 17 -4.867 -2.621 4.016 121 1HD ARG 17 HD2 ARG 17 -6.539 -1.639 5.295 122 2HD ARG 17 HD1 ARG 17 -7.284 -3.141 4.747 123 HE ARG 17 HE ARG 17 -6.005 -3.473 7.266 124 1HH1 ARG 17 HH11 ARG 17 -8.878 -2.186 5.759 125 2HH1 ARG 17 HH12 ARG 17 -9.856 -2.375 7.174 126 1HH2 ARG 17 HH21 ARG 17 -7.290 -3.722 9.128 127 2HH2 ARG 17 HH22 ARG 17 -8.955 -3.247 9.087 128 H LEU 18 HN LEU 18 -4.700 -7.797 4.284 129 HA LEU 18 HA LEU 18 -7.320 -8.712 4.641 130 1HB LEU 18 HB2 LEU 18 -6.674 -10.289 3.178 131 2HB LEU 18 HB1 LEU 18 -5.134 -9.464 3.144 132 HG LEU 18 HG LEU 18 -4.446 -10.992 5.054 133 1HD1 LEU 18 HD11 LEU 18 -7.143 -11.955 4.550 134 2HD1 LEU 18 HD12 LEU 18 -6.081 -12.236 5.929 135 3HD1 LEU 18 HD13 LEU 18 -5.936 -13.240 4.487 136 1HD2 LEU 18 HD21 LEU 18 -4.537 -11.400 2.220 137 2HD2 LEU 18 HD22 LEU 18 -4.638 -12.953 3.051 138 3HD2 LEU 18 HD23 LEU 18 -3.288 -11.867 3.374 139 H GLY 19 HN GLY 19 -4.578 -8.834 6.710 140 1HA GLY 19 HA2 GLY 19 -5.895 -10.831 8.415 141 2HA GLY 19 HA1 GLY 19 -4.192 -10.409 8.485 142 H GLY 20 HN GLY 20 -6.486 -7.839 8.175 143 1HA GLY 20 HA2 GLY 20 -7.194 -6.224 9.648 144 2HA GLY 20 HA1 GLY 20 -6.999 -7.412 10.926 145 H GLY 21 HN GLY 21 -4.862 -5.606 8.728 146 1HA GLY 21 HA2 GLY 21 -3.299 -4.780 11.079 147 2HA GLY 21 HA1 GLY 21 -2.517 -5.351 9.611 148 H SER 22 HN SER 22 -3.178 -2.680 11.260 149 HA SER 22 HA SER 22 -4.339 -0.771 9.749 150 1HB SER 22 HB2 SER 22 -1.749 0.160 10.765 151 2HB SER 22 HB1 SER 22 -3.381 0.701 11.161 152 HG SER 22 HG SER 22 -1.883 -1.403 12.283 153 H ARG 23 HN ARG 23 -3.598 0.811 8.241 154 HA ARG 23 HA ARG 23 -2.240 -0.307 6.043 155 1HB ARG 23 HB2 ARG 23 -3.659 2.132 6.663 156 2HB ARG 23 HB1 ARG 23 -2.236 2.460 5.688 157 1HG ARG 23 HG2 ARG 23 -3.132 1.542 3.854 158 2HG ARG 23 HG1 ARG 23 -3.830 0.193 4.751 159 1HD ARG 23 HD2 ARG 23 -5.811 1.239 5.040 160 2HD ARG 23 HD1 ARG 23 -5.064 2.823 5.236 161 HE ARG 23 HE ARG 23 -4.876 1.899 2.550 162 1HH1 ARG 23 HH11 ARG 23 -7.063 3.348 4.851 163 2HH1 ARG 23 HH12 ARG 23 -8.029 4.117 3.636 164 1HH2 ARG 23 HH21 ARG 23 -6.145 2.910 0.953 165 2HH2 ARG 23 HH22 ARG 23 -7.509 3.869 1.423 166 H GLU 24 HN GLU 24 -1.239 1.721 8.676 167 HA GLU 24 HA GLU 24 1.256 2.506 7.568 168 1HB GLU 24 HB2 GLU 24 0.845 2.351 10.521 169 2HB GLU 24 HB1 GLU 24 1.636 3.599 9.566 170 1HG GLU 24 HG2 GLU 24 -0.727 4.073 8.649 171 2HG GLU 24 HG1 GLU 24 -1.280 3.162 10.053 172 H ARG 25 HN ARG 25 0.252 -0.152 9.686 173 HA ARG 25 HA ARG 25 2.768 -1.091 10.411 174 1HB ARG 25 HB2 ARG 25 0.671 -1.942 11.373 175 2HB ARG 25 HB1 ARG 25 0.275 -2.709 9.842 176 1HG ARG 25 HG2 ARG 25 1.690 -4.431 10.180 177 2HG ARG 25 HG1 ARG 25 2.880 -3.432 11.017 178 1HD ARG 25 HD2 ARG 25 1.314 -3.365 12.971 179 2HD ARG 25 HD1 ARG 25 0.313 -4.549 12.132 180 HE ARG 25 HE ARG 25 1.777 -6.161 12.797 181 1HH1 ARG 25 HH11 ARG 25 3.422 -3.085 12.910 182 2HH1 ARG 25 HH12 ARG 25 4.866 -3.742 13.604 183 1HH2 ARG 25 HH21 ARG 25 3.676 -7.026 13.710 184 2HH2 ARG 25 HH22 ARG 25 5.011 -5.978 14.057 185 H CYS 26 HN CYS 26 0.797 -1.936 7.591 186 HA CYS 26 HA CYS 26 2.762 -3.675 6.470 187 1HB CYS 26 HB2 CYS 26 0.958 -2.532 4.490 188 2HB CYS 26 HB1 CYS 26 1.183 -4.205 4.967 189 H ALA 27 HN ALA 27 1.907 -0.287 6.067 190 HA ALA 27 HA ALA 27 3.398 0.377 3.842 191 1HB ALA 27 HB1 ALA 27 1.851 1.850 5.258 192 2HB ALA 27 HB2 ALA 27 3.268 2.611 4.536 193 3HB ALA 27 HB3 ALA 27 3.276 2.176 6.244 194 H SER 28 HN SER 28 4.467 0.182 7.225 195 HA SER 28 HA SER 28 7.159 0.896 6.660 196 1HB SER 28 HB2 SER 28 7.616 0.080 8.957 197 2HB SER 28 HB1 SER 28 6.239 1.181 8.904 198 HG SER 28 HG SER 28 4.935 -0.405 9.434 199 H LEU 29 HN LEU 29 5.331 -2.042 6.581 200 HA LEU 29 HA LEU 29 7.499 -3.874 6.661 201 1HB LEU 29 HB2 LEU 29 4.798 -4.093 6.820 202 2HB LEU 29 HB1 LEU 29 5.069 -4.649 5.181 203 HG LEU 29 HG LEU 29 4.982 -6.474 6.866 204 1HD1 LEU 29 HD11 LEU 29 7.532 -7.183 6.150 205 2HD1 LEU 29 HD12 LEU 29 7.095 -6.003 4.916 206 3HD1 LEU 29 HD13 LEU 29 6.084 -7.423 5.174 207 1HD2 LEU 29 HD21 LEU 29 7.696 -5.662 7.799 208 2HD2 LEU 29 HD22 LEU 29 6.505 -6.706 8.573 209 3HD2 LEU 29 HD23 LEU 29 6.267 -4.959 8.556 210 H SER 30 HN SER 30 5.427 -2.858 3.934 211 HA SER 30 HA SER 30 7.483 -3.770 2.075 212 1HB SER 30 HB2 SER 30 5.548 -3.031 0.416 213 2HB SER 30 HB1 SER 30 5.483 -4.574 1.268 214 HG SER 30 HG SER 30 4.060 -3.705 2.722 215 H GLY 31 HN GLY 31 5.412 -0.888 2.485 216 1HA GLY 31 HA2 GLY 31 6.908 1.197 2.627 217 2HA GLY 31 HA1 GLY 31 7.460 0.661 1.050 218 H CYS 32 HN CYS 32 4.278 -0.169 1.138 219 HA CYS 32 HA CYS 32 3.544 1.945 -0.620 220 1HB CYS 32 HB2 CYS 32 1.391 0.293 0.571 221 2HB CYS 32 HB1 CYS 32 1.674 0.733 -1.099 222 H LYS 33 HN LYS 33 1.973 3.550 -0.315 223 HA LYS 33 HA LYS 33 1.139 4.096 2.437 224 1HB LYS 33 HB2 LYS 33 2.956 5.491 2.458 225 2HB LYS 33 HB1 LYS 33 2.942 5.718 0.722 226 1HG LYS 33 HG2 LYS 33 0.767 6.937 2.353 227 2HG LYS 33 HG1 LYS 33 2.364 7.680 2.346 228 1HD LYS 33 HD2 LYS 33 0.633 7.122 -0.062 229 2HD LYS 33 HD1 LYS 33 0.969 8.701 0.648 230 1HE LYS 33 HE2 LYS 33 2.774 8.885 -0.621 231 2HE LYS 33 HE1 LYS 33 3.454 7.444 0.129 232 1HZ LYS 33 HZ1 LYS 33 3.390 6.771 -2.023 233 2HZ LYS 33 HZ2 LYS 33 2.053 7.726 -2.420 234 3HZ LYS 33 HZ3 LYS 33 1.835 6.283 -1.566 235 H ILE 34 HN ILE 34 -0.617 5.685 2.571 236 HA ILE 34 HA ILE 34 -2.611 5.198 0.608 237 HB ILE 34 HB ILE 34 -2.531 7.022 3.006 238 1HG1 ILE 34 HG12 ILE 34 -4.082 5.430 3.958 239 2HG1 ILE 34 HG11 ILE 34 -4.193 4.563 2.430 240 1HG2 ILE 34 HG21 ILE 34 -4.547 6.860 0.833 241 2HG2 ILE 34 HG22 ILE 34 -4.061 8.232 1.828 242 3HG2 ILE 34 HG23 ILE 34 -5.132 6.999 2.493 243 1HD1 ILE 34 HD11 ILE 34 -1.653 4.826 4.011 244 2HD1 ILE 34 HD12 ILE 34 -1.964 3.773 2.630 245 3HD1 ILE 34 HD13 ILE 34 -2.777 3.478 4.164 246 H ILE 35 HN ILE 35 -3.316 6.386 -1.051 247 HA ILE 35 HA ILE 35 -1.730 8.263 -2.319 248 HB ILE 35 HB ILE 35 -4.125 8.998 -3.304 249 1HG1 ILE 35 HG12 ILE 35 -5.043 7.258 -1.495 250 2HG1 ILE 35 HG11 ILE 35 -5.827 7.499 -3.052 251 1HG2 ILE 35 HG21 ILE 35 -2.181 8.016 -4.487 252 2HG2 ILE 35 HG22 ILE 35 -3.743 7.462 -5.089 253 3HG2 ILE 35 HG23 ILE 35 -2.779 6.417 -4.050 254 1HD1 ILE 35 HD11 ILE 35 -5.115 5.477 -3.870 255 2HD1 ILE 35 HD12 ILE 35 -5.356 5.103 -2.163 256 3HD1 ILE 35 HD13 ILE 35 -3.731 5.399 -2.781 257 H SER 36 HN SER 36 -4.951 9.204 -1.173 258 HA SER 36 HA SER 36 -5.630 10.952 0.162 259 1HB SER 36 HB2 SER 36 -3.099 10.742 1.076 260 2HB SER 36 HB1 SER 36 -2.995 12.313 0.279 261 HG SER 36 HG SER 36 -5.076 11.668 2.082 262 H ALA 37 HN ALA 37 -5.596 10.841 -2.645 263 HA ALA 37 HA ALA 37 -6.337 13.440 -3.328 264 1HB ALA 37 HB1 ALA 37 -4.045 14.092 -3.265 265 2HB ALA 37 HB2 ALA 37 -4.503 13.963 -4.963 266 3HB ALA 37 HB3 ALA 37 -3.557 12.682 -4.205 267 H SER 38 HN SER 38 -4.440 11.039 -5.108 268 HA SER 38 HA SER 38 -6.377 9.495 -6.214 269 1HB SER 38 HB2 SER 38 -6.444 12.175 -7.365 270 2HB SER 38 HB1 SER 38 -6.212 10.929 -8.590 271 HG SER 38 HG SER 38 -8.333 10.871 -8.397 272 H THR 39 HN THR 39 -3.911 11.520 -7.812 273 HA THR 39 HA THR 39 -2.754 9.238 -9.117 274 HB THR 39 HB THR 39 -2.734 11.350 -10.279 275 HG1 THR 39 HG1 THR 39 -0.940 10.144 -10.748 276 1HG2 THR 39 HG21 THR 39 -2.718 13.088 -8.789 277 2HG2 THR 39 HG22 THR 39 -1.052 13.111 -9.364 278 3HG2 THR 39 HG23 THR 39 -1.437 12.380 -7.806 279 H CYS 40 HN CYS 40 -0.747 8.286 -8.726 280 HA CYS 40 HA CYS 40 0.146 8.482 -5.974 281 1HB CYS 40 HB2 CYS 40 0.589 6.578 -8.232 282 2HB CYS 40 HB1 CYS 40 1.743 6.609 -6.905 283 HA PRO 41 HA PRO 41 3.804 10.849 -6.218 284 1HB PRO 41 HB2 PRO 41 5.732 8.946 -5.459 285 2HB PRO 41 HB1 PRO 41 4.815 9.993 -4.383 286 1HG PRO 41 HG2 PRO 41 4.330 7.158 -5.151 287 2HG PRO 41 HG1 PRO 41 4.085 7.958 -3.588 288 1HD PRO 41 HD2 PRO 41 2.022 7.390 -5.166 289 2HD PRO 41 HD1 PRO 41 2.074 8.912 -4.255 290 H SER 42 HN SER 42 6.470 9.482 -6.748 291 HA SER 42 HA SER 42 6.986 10.188 -9.274 292 1HB SER 42 HB2 SER 42 8.846 8.616 -9.291 293 2HB SER 42 HB1 SER 42 8.669 9.325 -7.686 294 HG SER 42 HG SER 42 8.961 6.948 -7.852 295 H ASP 43 HN ASP 43 6.460 6.700 -8.637 296 HA ASP 43 HA ASP 43 4.664 6.500 -10.884 297 1HB ASP 43 HB2 ASP 43 7.395 5.205 -11.008 298 2HB ASP 43 HB1 ASP 43 6.072 4.871 -12.121 299 H TYR 44 HN TYR 44 3.830 5.904 -8.510 300 HA TYR 44 HA TYR 44 4.300 3.081 -7.940 301 1HB TYR 44 HB2 TYR 44 2.636 5.120 -6.480 302 2HB TYR 44 HB1 TYR 44 2.865 3.471 -5.953 303 HD1 TYR 44 HD1 TYR 44 3.710 4.108 -3.812 304 HD2 TYR 44 HD2 TYR 44 5.641 5.466 -7.351 305 HE1 TYR 44 HE1 TYR 44 5.644 4.825 -2.477 306 HE2 TYR 44 HE2 TYR 44 7.577 6.183 -6.026 307 HH TYR 44 HH TYR 44 8.498 5.281 -3.474 308 HA PRO 45 HA PRO 45 0.812 2.525 -10.916 309 1HB PRO 45 HB2 PRO 45 1.036 -0.265 -10.438 310 2HB PRO 45 HB1 PRO 45 1.613 0.634 -11.842 311 1HG PRO 45 HG2 PRO 45 3.090 -0.259 -9.428 312 2HG PRO 45 HG1 PRO 45 3.673 -0.026 -11.086 313 1HD PRO 45 HD2 PRO 45 4.290 1.701 -9.140 314 2HD PRO 45 HD1 PRO 45 3.958 2.263 -10.793 315 H LYS 46 HN LYS 46 1.246 0.873 -7.805 316 HA LYS 46 HA LYS 46 -1.496 0.201 -7.512 317 1HB LYS 46 HB2 LYS 46 -0.045 -1.132 -6.263 318 2HB LYS 46 HB1 LYS 46 0.846 0.247 -5.664 319 1HG LYS 46 HG2 LYS 46 -0.542 -0.870 -3.947 320 2HG LYS 46 HG1 LYS 46 -0.923 0.836 -4.167 321 1HD LYS 46 HD2 LYS 46 -2.940 0.387 -5.207 322 2HD LYS 46 HD1 LYS 46 -2.447 -1.235 -5.690 323 1HE LYS 46 HE2 LYS 46 -2.367 -1.660 -3.114 324 2HE LYS 46 HE1 LYS 46 -3.423 -0.253 -3.046 325 1HZ LYS 46 HZ1 LYS 46 -4.391 -2.657 -3.279 326 2HZ LYS 46 HZ2 LYS 46 -4.090 -2.401 -4.923 327 3HZ LYS 46 HZ3 LYS 46 -5.114 -1.352 -4.079 Start of MODEL 11 1 1H LYS 1 HT1 LYS 1 -7.785 3.880 -1.277 2 2H LYS 1 HT2 LYS 1 -7.580 2.682 -0.066 3 3H LYS 1 HT3 LYS 1 -8.958 2.644 -1.088 4 HA LYS 1 HA LYS 1 -7.585 1.027 -1.913 5 1HB LYS 1 HB2 LYS 1 -8.126 3.414 -3.334 6 2HB LYS 1 HB1 LYS 1 -6.514 2.902 -3.812 7 1HG LYS 1 HG2 LYS 1 -8.694 0.879 -3.770 8 2HG LYS 1 HG1 LYS 1 -8.649 2.057 -5.083 9 1HD LYS 1 HD2 LYS 1 -7.462 -0.017 -5.661 10 2HD LYS 1 HD1 LYS 1 -6.383 1.378 -5.645 11 1HE LYS 1 HE2 LYS 1 -5.257 0.660 -3.794 12 2HE LYS 1 HE1 LYS 1 -6.654 -0.189 -3.138 13 1HZ LYS 1 HZ1 LYS 1 -5.654 -2.025 -3.860 14 2HZ LYS 1 HZ2 LYS 1 -4.549 -1.171 -4.812 15 3HZ LYS 1 HZ3 LYS 1 -6.078 -1.547 -5.427 16 H SER 2 HN SER 2 -5.699 4.029 -1.619 17 HA SER 2 HA SER 2 -3.548 4.399 -0.992 18 1HB SER 2 HB2 SER 2 -4.184 1.934 0.274 19 2HB SER 2 HB1 SER 2 -2.537 1.833 -0.342 20 HG SER 2 HG SER 2 -2.094 3.787 0.763 21 H CYS 3 HN CYS 3 -1.255 3.679 -1.511 22 HA CYS 3 HA CYS 3 -1.157 2.437 -4.177 23 1HB CYS 3 HB2 CYS 3 0.480 4.820 -3.282 24 2HB CYS 3 HB1 CYS 3 0.513 4.064 -4.870 25 H CYS 4 HN CYS 4 1.311 2.020 -4.710 26 HA CYS 4 HA CYS 4 2.932 1.349 -2.408 27 1HB CYS 4 HB2 CYS 4 1.230 -0.540 -2.721 28 2HB CYS 4 HB1 CYS 4 2.106 -0.909 -4.199 29 HA PRO 5 HA PRO 5 5.591 2.389 -5.906 30 1HB PRO 5 HB2 PRO 5 7.724 2.194 -3.873 31 2HB PRO 5 HB1 PRO 5 7.316 3.529 -4.957 32 1HG PRO 5 HG2 PRO 5 6.768 3.655 -2.345 33 2HG PRO 5 HG1 PRO 5 5.664 4.337 -3.556 34 1HD PRO 5 HD2 PRO 5 5.468 1.749 -2.064 35 2HD PRO 5 HD1 PRO 5 4.197 2.928 -2.438 36 H ASN 6 HN ASN 6 5.455 -0.561 -4.196 37 HA ASN 6 HA ASN 6 7.123 -1.769 -6.238 38 1HB ASN 6 HB2 ASN 6 7.741 -2.267 -3.322 39 2HB ASN 6 HB1 ASN 6 8.593 -2.925 -4.716 40 1HD2 ASN 6 HD21 ASN 6 9.524 -1.247 -6.205 41 2HD2 ASN 6 HD22 ASN 6 10.279 0.119 -5.465 42 H THR 7 HN THR 7 6.305 -3.658 -6.890 43 HA THR 7 HA THR 7 3.866 -4.648 -5.985 44 HB THR 7 HB THR 7 4.333 -6.632 -7.323 45 HG1 THR 7 HG1 THR 7 7.000 -5.673 -7.347 46 1HG2 THR 7 HG21 THR 7 5.723 -4.515 -8.884 47 2HG2 THR 7 HG22 THR 7 4.034 -4.292 -8.426 48 3HG2 THR 7 HG23 THR 7 4.508 -5.685 -9.397 49 H THR 8 HN THR 8 7.170 -5.577 -5.173 50 HA THR 8 HA THR 8 6.662 -7.789 -3.566 51 HB THR 8 HB THR 8 8.775 -6.711 -2.284 52 HG1 THR 8 HG1 THR 8 8.458 -4.779 -3.657 53 1HG2 THR 8 HG21 THR 8 8.776 -8.805 -3.604 54 2HG2 THR 8 HG22 THR 8 10.243 -7.844 -3.788 55 3HG2 THR 8 HG23 THR 8 9.020 -7.840 -5.059 56 H GLY 9 HN GLY 9 6.100 -4.414 -3.026 57 1HA GLY 9 HA2 GLY 9 5.687 -4.773 -0.162 58 2HA GLY 9 HA1 GLY 9 5.537 -3.263 -1.061 59 H ARG 10 HN ARG 10 3.916 -4.196 -3.136 60 HA ARG 10 HA ARG 10 1.358 -3.758 -2.229 61 1HB ARG 10 HB2 ARG 10 2.325 -5.389 -4.580 62 2HB ARG 10 HB1 ARG 10 0.629 -5.024 -4.307 63 1HG ARG 10 HG2 ARG 10 2.622 -2.812 -4.425 64 2HG ARG 10 HG1 ARG 10 2.035 -3.557 -5.911 65 1HD ARG 10 HD2 ARG 10 0.465 -2.112 -3.798 66 2HD ARG 10 HD1 ARG 10 0.629 -1.706 -5.504 67 HE ARG 10 HE ARG 10 -1.305 -3.406 -4.363 68 1HH1 ARG 10 HH11 ARG 10 0.731 -3.115 -7.183 69 2HH1 ARG 10 HH12 ARG 10 -0.307 -4.069 -8.185 70 1HH2 ARG 10 HH21 ARG 10 -2.675 -4.654 -5.684 71 2HH2 ARG 10 HH22 ARG 10 -2.242 -4.939 -7.337 72 H ASN 11 HN ASN 11 3.097 -6.809 -2.550 73 HA ASN 11 HA ASN 11 0.992 -8.555 -1.985 74 1HB ASN 11 HB2 ASN 11 3.973 -8.728 -1.634 75 2HB ASN 11 HB1 ASN 11 2.917 -10.057 -1.198 76 1HD2 ASN 11 HD21 ASN 11 4.853 -8.965 -3.538 77 2HD2 ASN 11 HD22 ASN 11 4.129 -9.705 -4.919 78 H ILE 12 HN ILE 12 3.494 -7.376 0.289 79 HA ILE 12 HA ILE 12 2.265 -8.543 2.535 80 HB ILE 12 HB ILE 12 4.160 -6.197 2.403 81 1HG1 ILE 12 HG12 ILE 12 5.630 -8.192 3.401 82 2HG1 ILE 12 HG11 ILE 12 4.478 -9.156 2.482 83 1HG2 ILE 12 HG21 ILE 12 4.631 -6.899 4.814 84 2HG2 ILE 12 HG22 ILE 12 3.090 -7.755 4.736 85 3HG2 ILE 12 HG23 ILE 12 3.140 -6.007 4.505 86 1HD1 ILE 12 HD11 ILE 12 6.768 -7.775 1.562 87 2HD1 ILE 12 HD12 ILE 12 5.346 -7.041 0.825 88 3HD1 ILE 12 HD13 ILE 12 5.635 -8.771 0.647 89 H TYR 13 HN TYR 13 2.048 -5.242 1.225 90 HA TYR 13 HA TYR 13 0.393 -4.274 3.292 91 1HB TYR 13 HB2 TYR 13 1.718 -2.960 1.528 92 2HB TYR 13 HB1 TYR 13 0.329 -3.224 0.477 93 HD1 TYR 13 HD1 TYR 13 1.709 -1.248 3.137 94 HD2 TYR 13 HD2 TYR 13 -1.930 -2.370 1.243 95 HE1 TYR 13 HE1 TYR 13 0.590 0.693 4.149 96 HE2 TYR 13 HE2 TYR 13 -3.059 -0.430 2.247 97 HH TYR 13 HH TYR 13 -1.622 1.447 4.728 98 H ASN 14 HN ASN 14 -0.299 -5.866 0.228 99 HA ASN 14 HA ASN 14 -3.102 -5.460 0.333 100 1HB ASN 14 HB2 ASN 14 -1.259 -7.192 -1.263 101 2HB ASN 14 HB1 ASN 14 -2.980 -7.514 -1.293 102 1HD2 ASN 14 HD21 ASN 14 -1.407 -4.365 -1.037 103 2HD2 ASN 14 HD22 ASN 14 -2.006 -3.747 -2.534 104 H THR 15 HN THR 15 -1.064 -8.346 0.979 105 HA THR 15 HA THR 15 -3.208 -9.910 1.958 106 HB THR 15 HB THR 15 -1.139 -10.950 1.268 107 HG1 THR 15 HG1 THR 15 -1.392 -12.460 2.693 108 1HG2 THR 15 HG21 THR 15 0.913 -10.450 1.968 109 2HG2 THR 15 HG22 THR 15 0.411 -10.359 3.657 110 3HG2 THR 15 HG23 THR 15 0.190 -8.970 2.594 111 H CYS 16 HN CYS 16 -0.960 -7.705 3.534 112 HA CYS 16 HA CYS 16 -1.603 -8.260 6.201 113 1HB CYS 16 HB2 CYS 16 0.293 -6.893 5.797 114 2HB CYS 16 HB1 CYS 16 -0.627 -5.774 4.801 115 H ARG 17 HN ARG 17 -2.929 -5.831 3.964 116 HA ARG 17 HA ARG 17 -4.912 -4.821 5.674 117 1HB ARG 17 HB2 ARG 17 -4.267 -4.692 2.827 118 2HB ARG 17 HB1 ARG 17 -5.999 -4.663 3.122 119 1HG ARG 17 HG2 ARG 17 -4.377 -2.880 4.816 120 2HG ARG 17 HG1 ARG 17 -4.450 -2.474 3.101 121 1HD ARG 17 HD2 ARG 17 -7.020 -2.876 3.437 122 2HD ARG 17 HD1 ARG 17 -6.634 -2.565 5.129 123 HE ARG 17 HE ARG 17 -6.690 -0.654 2.981 124 1HH1 ARG 17 HH11 ARG 17 -5.386 -1.375 6.138 125 2HH1 ARG 17 HH12 ARG 17 -5.100 0.285 6.536 126 1HH2 ARG 17 HH21 ARG 17 -6.315 1.529 3.504 127 2HH2 ARG 17 HH22 ARG 17 -5.628 1.935 5.041 128 H LEU 18 HN LEU 18 -4.767 -7.617 3.575 129 HA LEU 18 HA LEU 18 -7.484 -8.331 3.619 130 1HB LEU 18 HB2 LEU 18 -4.942 -9.554 2.857 131 2HB LEU 18 HB1 LEU 18 -6.107 -10.722 3.450 132 HG LEU 18 HG LEU 18 -6.495 -8.817 1.143 133 1HD1 LEU 18 HD11 LEU 18 -5.018 -10.760 0.722 134 2HD1 LEU 18 HD12 LEU 18 -6.501 -10.788 -0.231 135 3HD1 LEU 18 HD13 LEU 18 -6.345 -11.826 1.185 136 1HD2 LEU 18 HD21 LEU 18 -8.603 -10.236 0.843 137 2HD2 LEU 18 HD22 LEU 18 -8.619 -9.002 2.104 138 3HD2 LEU 18 HD23 LEU 18 -8.378 -10.696 2.530 139 H GLY 19 HN GLY 19 -5.108 -8.402 6.068 140 1HA GLY 19 HA2 GLY 19 -6.546 -10.425 7.616 141 2HA GLY 19 HA1 GLY 19 -4.972 -9.754 8.008 142 H GLY 20 HN GLY 20 -6.838 -7.202 7.106 143 1HA GLY 20 HA2 GLY 20 -8.018 -5.585 8.218 144 2HA GLY 20 HA1 GLY 20 -8.460 -6.810 9.395 145 H GLY 21 HN GLY 21 -5.281 -5.433 8.489 146 1HA GLY 21 HA2 GLY 21 -4.906 -4.803 11.333 147 2HA GLY 21 HA1 GLY 21 -3.607 -5.177 10.208 148 H SER 22 HN SER 22 -2.778 -3.156 11.137 149 HA SER 22 HA SER 22 -4.011 -0.670 10.500 150 1HB SER 22 HB2 SER 22 -1.204 -0.318 10.853 151 2HB SER 22 HB1 SER 22 -2.516 0.104 11.950 152 HG SER 22 HG SER 22 -2.379 -1.938 12.861 153 H ARG 23 HN ARG 23 -3.380 0.863 9.007 154 HA ARG 23 HA ARG 23 -2.666 -0.184 6.457 155 1HB ARG 23 HB2 ARG 23 -2.452 2.606 6.305 156 2HB ARG 23 HB1 ARG 23 -3.804 1.614 5.795 157 1HG ARG 23 HG2 ARG 23 -4.732 3.255 7.164 158 2HG ARG 23 HG1 ARG 23 -4.651 1.821 8.187 159 1HD ARG 23 HD2 ARG 23 -2.856 2.659 9.420 160 2HD ARG 23 HD1 ARG 23 -2.422 3.824 8.171 161 HE ARG 23 HE ARG 23 -3.874 5.305 9.116 162 1HH1 ARG 23 HH11 ARG 23 -4.689 2.099 10.230 163 2HH1 ARG 23 HH12 ARG 23 -5.884 2.657 11.352 164 1HH2 ARG 23 HH21 ARG 23 -5.445 6.040 10.592 165 2HH2 ARG 23 HH22 ARG 23 -6.313 4.894 11.558 166 H GLU 24 HN GLU 24 -1.114 1.917 8.794 167 HA GLU 24 HA GLU 24 1.268 2.297 7.295 168 1HB GLU 24 HB2 GLU 24 1.188 2.588 10.269 169 2HB GLU 24 HB1 GLU 24 2.013 3.580 9.073 170 1HG GLU 24 HG2 GLU 24 -0.355 4.224 8.295 171 2HG GLU 24 HG1 GLU 24 -0.872 3.584 9.855 172 H ARG 25 HN ARG 25 0.248 -0.126 9.607 173 HA ARG 25 HA ARG 25 2.728 -1.107 10.404 174 1HB ARG 25 HB2 ARG 25 0.294 -1.762 11.119 175 2HB ARG 25 HB1 ARG 25 0.453 -2.981 9.863 176 1HG ARG 25 HG2 ARG 25 1.940 -4.205 11.045 177 2HG ARG 25 HG1 ARG 25 2.672 -2.790 11.803 178 1HD ARG 25 HD2 ARG 25 1.201 -2.785 13.532 179 2HD ARG 25 HD1 ARG 25 -0.123 -3.407 12.549 180 HE ARG 25 HE ARG 25 1.550 -5.521 12.729 181 1HH1 ARG 25 HH11 ARG 25 0.129 -3.400 15.108 182 2HH1 ARG 25 HH12 ARG 25 0.090 -4.610 16.346 183 1HH2 ARG 25 HH21 ARG 25 1.499 -7.114 14.355 184 2HH2 ARG 25 HH22 ARG 25 0.868 -6.719 15.920 185 H CYS 26 HN CYS 26 0.730 -2.084 7.647 186 HA CYS 26 HA CYS 26 2.644 -3.947 6.651 187 1HB CYS 26 HB2 CYS 26 0.836 -2.872 4.626 188 2HB CYS 26 HB1 CYS 26 1.066 -4.527 5.158 189 H ALA 27 HN ALA 27 1.887 -0.579 5.996 190 HA ALA 27 HA ALA 27 3.467 -0.188 3.730 191 1HB ALA 27 HB1 ALA 27 1.928 1.409 5.444 192 2HB ALA 27 HB2 ALA 27 2.661 1.873 3.908 193 3HB ALA 27 HB3 ALA 27 3.535 2.135 5.417 194 H SER 28 HN SER 28 4.305 0.201 7.169 195 HA SER 28 HA SER 28 6.997 0.937 6.664 196 1HB SER 28 HB2 SER 28 7.305 0.869 9.009 197 2HB SER 28 HB1 SER 28 5.628 1.367 8.787 198 HG SER 28 HG SER 28 5.748 -0.262 10.341 199 H LEU 29 HN LEU 29 5.329 -2.087 7.024 200 HA LEU 29 HA LEU 29 7.603 -3.707 7.540 201 1HB LEU 29 HB2 LEU 29 4.801 -4.056 7.306 202 2HB LEU 29 HB1 LEU 29 5.554 -5.176 6.187 203 HG LEU 29 HG LEU 29 6.510 -5.032 9.022 204 1HD1 LEU 29 HD11 LEU 29 4.864 -7.066 9.254 205 2HD1 LEU 29 HD12 LEU 29 3.958 -6.189 8.022 206 3HD1 LEU 29 HD13 LEU 29 4.321 -5.417 9.565 207 1HD2 LEU 29 HD21 LEU 29 6.300 -7.389 7.169 208 2HD2 LEU 29 HD22 LEU 29 7.279 -7.223 8.626 209 3HD2 LEU 29 HD23 LEU 29 7.693 -6.307 7.177 210 H SER 30 HN SER 30 5.896 -2.766 4.582 211 HA SER 30 HA SER 30 7.953 -4.153 3.022 212 1HB SER 30 HB2 SER 30 5.083 -3.698 2.628 213 2HB SER 30 HB1 SER 30 6.061 -3.401 1.191 214 HG SER 30 HG SER 30 6.996 -5.512 1.584 215 H GLY 31 HN GLY 31 5.898 -1.422 2.098 216 1HA GLY 31 HA2 GLY 31 7.386 0.761 2.322 217 2HA GLY 31 HA1 GLY 31 8.253 -0.076 1.047 218 H CYS 32 HN CYS 32 4.763 -0.119 1.457 219 HA CYS 32 HA CYS 32 4.282 0.659 -1.252 220 1HB CYS 32 HB2 CYS 32 2.522 0.274 1.181 221 2HB CYS 32 HB1 CYS 32 1.877 0.765 -0.376 222 H LYS 33 HN LYS 33 2.111 2.425 -1.002 223 HA LYS 33 HA LYS 33 3.326 4.847 0.126 224 1HB LYS 33 HB2 LYS 33 2.769 4.224 -2.641 225 2HB LYS 33 HB1 LYS 33 1.877 5.649 -2.134 226 1HG LYS 33 HG2 LYS 33 4.849 5.224 -2.073 227 2HG LYS 33 HG1 LYS 33 3.941 6.377 -3.048 228 1HD LYS 33 HD2 LYS 33 4.440 6.418 -0.084 229 2HD LYS 33 HD1 LYS 33 4.904 7.619 -1.287 230 1HE LYS 33 HE2 LYS 33 2.167 7.486 -1.560 231 2HE LYS 33 HE1 LYS 33 2.404 7.303 0.176 232 1HZ LYS 33 HZ1 LYS 33 2.926 9.598 -1.536 233 2HZ LYS 33 HZ2 LYS 33 4.042 9.322 -0.296 234 3HZ LYS 33 HZ3 LYS 33 2.407 9.543 0.073 235 H ILE 34 HN ILE 34 2.011 5.866 1.481 236 HA ILE 34 HA ILE 34 -0.873 5.356 1.293 237 HB ILE 34 HB ILE 34 0.967 5.597 3.567 238 1HG1 ILE 34 HG12 ILE 34 -0.640 4.134 4.619 239 2HG1 ILE 34 HG11 ILE 34 -1.837 4.491 3.379 240 1HG2 ILE 34 HG21 ILE 34 -1.632 7.104 3.580 241 2HG2 ILE 34 HG22 ILE 34 -0.026 7.681 4.028 242 3HG2 ILE 34 HG23 ILE 34 -0.865 6.520 5.058 243 1HD1 ILE 34 HD11 ILE 34 0.413 3.535 2.020 244 2HD1 ILE 34 HD12 ILE 34 -1.127 2.718 2.273 245 3HD1 ILE 34 HD13 ILE 34 0.193 2.483 3.416 246 H ILE 35 HN ILE 35 -1.964 6.941 0.349 247 HA ILE 35 HA ILE 35 -1.301 9.716 1.046 248 HB ILE 35 HB ILE 35 -2.175 9.315 -1.748 249 1HG1 ILE 35 HG12 ILE 35 0.333 8.965 -2.350 250 2HG1 ILE 35 HG11 ILE 35 0.470 8.325 -0.716 251 1HG2 ILE 35 HG21 ILE 35 -1.189 11.320 -2.060 252 2HG2 ILE 35 HG22 ILE 35 0.206 10.911 -1.063 253 3HG2 ILE 35 HG23 ILE 35 -1.302 11.416 -0.302 254 1HD1 ILE 35 HD11 ILE 35 -0.781 6.472 -1.192 255 2HD1 ILE 35 HD12 ILE 35 0.015 6.748 -2.741 256 3HD1 ILE 35 HD13 ILE 35 -1.654 7.264 -2.504 257 H SER 36 HN SER 36 -3.201 10.909 -0.662 258 HA SER 36 HA SER 36 -5.721 9.909 0.476 259 1HB SER 36 HB2 SER 36 -4.636 12.301 1.070 260 2HB SER 36 HB1 SER 36 -5.526 12.748 -0.384 261 HG SER 36 HG SER 36 -6.759 12.958 1.563 262 H ALA 37 HN ALA 37 -7.543 9.879 -0.861 263 HA ALA 37 HA ALA 37 -8.679 9.607 -2.818 264 1HB ALA 37 HB1 ALA 37 -7.721 12.112 -2.939 265 2HB ALA 37 HB2 ALA 37 -8.687 11.383 -4.222 266 3HB ALA 37 HB3 ALA 37 -6.929 11.424 -4.356 267 H SER 38 HN SER 38 -6.023 8.215 -2.199 268 HA SER 38 HA SER 38 -4.804 6.539 -3.104 269 1HB SER 38 HB2 SER 38 -6.989 6.805 -5.097 270 2HB SER 38 HB1 SER 38 -5.590 5.821 -5.515 271 HG SER 38 HG SER 38 -7.633 5.309 -3.766 272 H THR 39 HN THR 39 -4.496 9.560 -3.941 273 HA THR 39 HA THR 39 -3.257 9.476 -6.462 274 HB THR 39 HB THR 39 -2.351 11.477 -4.451 275 HG1 THR 39 HG1 THR 39 -4.272 12.167 -4.022 276 1HG2 THR 39 HG21 THR 39 -3.318 12.882 -6.529 277 2HG2 THR 39 HG22 THR 39 -2.848 11.388 -7.340 278 3HG2 THR 39 HG23 THR 39 -1.657 12.301 -6.414 279 H CYS 40 HN CYS 40 -1.443 8.486 -6.995 280 HA CYS 40 HA CYS 40 0.507 7.822 -4.917 281 1HB CYS 40 HB2 CYS 40 0.621 6.838 -7.754 282 2HB CYS 40 HB1 CYS 40 1.256 6.081 -6.298 283 HA PRO 41 HA PRO 41 3.633 10.656 -6.051 284 1HB PRO 41 HB2 PRO 41 5.828 8.987 -6.357 285 2HB PRO 41 HB1 PRO 41 5.239 9.625 -4.823 286 1HG PRO 41 HG2 PRO 41 4.750 6.960 -6.083 287 2HG PRO 41 HG1 PRO 41 5.061 7.359 -4.382 288 1HD PRO 41 HD2 PRO 41 2.592 6.818 -5.237 289 2HD PRO 41 HD1 PRO 41 2.881 8.086 -4.027 290 H SER 42 HN SER 42 5.259 8.130 -7.861 291 HA SER 42 HA SER 42 5.338 9.748 -10.193 292 1HB SER 42 HB2 SER 42 7.219 8.374 -9.880 293 2HB SER 42 HB1 SER 42 6.235 6.943 -9.575 294 HG SER 42 HG SER 42 7.244 7.097 -11.709 295 H ASP 43 HN ASP 43 4.438 6.348 -10.407 296 HA ASP 43 HA ASP 43 1.779 6.937 -11.368 297 1HB ASP 43 HB2 ASP 43 3.997 6.064 -13.203 298 2HB ASP 43 HB1 ASP 43 2.327 5.620 -13.539 299 H TYR 44 HN TYR 44 2.140 5.569 -9.209 300 HA TYR 44 HA TYR 44 2.027 2.733 -9.965 301 1HB TYR 44 HB2 TYR 44 3.846 3.700 -8.326 302 2HB TYR 44 HB1 TYR 44 2.539 3.602 -7.151 303 HD1 TYR 44 HD1 TYR 44 1.169 1.164 -7.709 304 HD2 TYR 44 HD2 TYR 44 5.337 1.980 -7.989 305 HE1 TYR 44 HE1 TYR 44 1.654 -1.220 -7.350 306 HE2 TYR 44 HE2 TYR 44 5.834 -0.400 -7.625 307 HH TYR 44 HH TYR 44 3.742 -2.548 -6.389 308 HA PRO 45 HA PRO 45 -2.157 4.108 -8.302 309 1HB PRO 45 HB2 PRO 45 -3.627 3.401 -10.453 310 2HB PRO 45 HB1 PRO 45 -2.851 4.983 -10.316 311 1HG PRO 45 HG2 PRO 45 -1.933 2.548 -11.800 312 2HG PRO 45 HG1 PRO 45 -1.946 4.241 -12.331 313 1HD PRO 45 HD2 PRO 45 0.289 3.027 -11.411 314 2HD PRO 45 HD1 PRO 45 -0.030 4.756 -11.162 315 H LYS 46 HN LYS 46 -1.223 2.050 -7.104 316 HA LYS 46 HA LYS 46 -2.103 -0.481 -8.057 317 1HB LYS 46 HB2 LYS 46 -1.189 -1.374 -6.144 318 2HB LYS 46 HB1 LYS 46 -0.269 0.109 -6.300 319 1HG LYS 46 HG2 LYS 46 -0.793 0.496 -4.178 320 2HG LYS 46 HG1 LYS 46 -2.425 0.856 -4.746 321 1HD LYS 46 HD2 LYS 46 -2.706 -1.754 -4.581 322 2HD LYS 46 HD1 LYS 46 -1.357 -1.610 -3.455 323 1HE LYS 46 HE2 LYS 46 -3.473 0.354 -3.014 324 2HE LYS 46 HE1 LYS 46 -4.004 -1.315 -2.817 325 1HZ LYS 46 HZ1 LYS 46 -1.522 -0.391 -1.528 326 2HZ LYS 46 HZ2 LYS 46 -2.544 -1.665 -1.086 327 3HZ LYS 46 HZ3 LYS 46 -3.020 -0.066 -0.811 Start of MODEL 12 1 1H LYS 1 HT1 LYS 1 -7.151 1.968 -0.900 2 2H LYS 1 HT2 LYS 1 -6.697 0.320 -0.733 3 3H LYS 1 HT3 LYS 1 -8.148 0.736 -1.551 4 HA LYS 1 HA LYS 1 -6.645 0.213 -3.195 5 1HB LYS 1 HB2 LYS 1 -7.646 2.849 -2.793 6 2HB LYS 1 HB1 LYS 1 -6.068 2.991 -3.557 7 1HG LYS 1 HG2 LYS 1 -8.007 1.035 -4.674 8 2HG LYS 1 HG1 LYS 1 -8.267 2.754 -4.976 9 1HD LYS 1 HD2 LYS 1 -6.966 1.706 -6.771 10 2HD LYS 1 HD1 LYS 1 -6.031 2.940 -5.926 11 1HE LYS 1 HE2 LYS 1 -4.649 1.399 -4.923 12 2HE LYS 1 HE1 LYS 1 -5.843 0.107 -5.020 13 1HZ LYS 1 HZ1 LYS 1 -5.390 0.579 -7.604 14 2HZ LYS 1 HZ2 LYS 1 -4.545 -0.575 -6.704 15 3HZ LYS 1 HZ3 LYS 1 -3.867 0.951 -6.966 16 H SER 2 HN SER 2 -5.153 2.846 -1.301 17 HA SER 2 HA SER 2 -2.990 3.317 -0.785 18 1HB SER 2 HB2 SER 2 -1.667 1.556 0.036 19 2HB SER 2 HB1 SER 2 -3.318 0.977 0.254 20 HG SER 2 HG SER 2 -1.902 -0.584 -0.703 21 H CYS 3 HN CYS 3 -0.714 3.235 -1.573 22 HA CYS 3 HA CYS 3 -0.640 2.803 -4.488 23 1HB CYS 3 HB2 CYS 3 -0.638 5.183 -3.990 24 2HB CYS 3 HB1 CYS 3 0.695 4.977 -2.861 25 H CYS 4 HN CYS 4 1.017 1.631 -5.298 26 HA CYS 4 HA CYS 4 3.389 1.171 -3.676 27 1HB CYS 4 HB2 CYS 4 1.596 -1.067 -4.630 28 2HB CYS 4 HB1 CYS 4 3.219 -1.298 -3.989 29 HA PRO 5 HA PRO 5 5.135 1.508 -7.736 30 1HB PRO 5 HB2 PRO 5 7.683 0.822 -7.155 31 2HB PRO 5 HB1 PRO 5 6.983 2.375 -6.679 32 1HG PRO 5 HG2 PRO 5 7.362 -0.109 -5.051 33 2HG PRO 5 HG1 PRO 5 7.670 1.579 -4.604 34 1HD PRO 5 HD2 PRO 5 5.431 0.242 -3.851 35 2HD PRO 5 HD1 PRO 5 5.454 1.993 -4.144 36 H ASN 6 HN ASN 6 5.006 -1.454 -5.957 37 HA ASN 6 HA ASN 6 4.948 -2.973 -8.379 38 1HB ASN 6 HB2 ASN 6 6.873 -4.507 -7.469 39 2HB ASN 6 HB1 ASN 6 7.256 -3.078 -8.423 40 1HD2 ASN 6 HD21 ASN 6 9.283 -2.835 -7.550 41 2HD2 ASN 6 HD22 ASN 6 9.549 -2.322 -5.922 42 H THR 7 HN THR 7 4.406 -5.208 -8.042 43 HA THR 7 HA THR 7 2.448 -5.652 -6.161 44 HB THR 7 HB THR 7 2.465 -7.118 -7.979 45 HG1 THR 7 HG1 THR 7 1.881 -8.553 -6.560 46 1HG2 THR 7 HG21 THR 7 5.344 -7.226 -7.553 47 2HG2 THR 7 HG22 THR 7 4.401 -7.437 -9.029 48 3HG2 THR 7 HG23 THR 7 4.619 -8.791 -7.920 49 H THR 8 HN THR 8 5.898 -5.982 -5.803 50 HA THR 8 HA THR 8 6.072 -7.690 -3.626 51 HB THR 8 HB THR 8 8.070 -6.082 -3.002 52 HG1 THR 8 HG1 THR 8 7.241 -4.426 -4.440 53 1HG2 THR 8 HG21 THR 8 8.068 -8.352 -4.276 54 2HG2 THR 8 HG22 THR 8 9.486 -7.304 -4.320 55 3HG2 THR 8 HG23 THR 8 8.369 -7.334 -5.684 56 H GLY 9 HN GLY 9 5.409 -4.215 -3.706 57 1HA GLY 9 HA2 GLY 9 5.181 -4.047 -0.827 58 2HA GLY 9 HA1 GLY 9 4.842 -2.762 -1.981 59 H ARG 10 HN ARG 10 3.048 -4.100 -3.624 60 HA ARG 10 HA ARG 10 0.597 -3.653 -2.384 61 1HB ARG 10 HB2 ARG 10 1.515 -4.438 -4.926 62 2HB ARG 10 HB1 ARG 10 0.320 -5.634 -4.436 63 1HG ARG 10 HG2 ARG 10 -0.695 -3.085 -3.767 64 2HG ARG 10 HG1 ARG 10 -0.080 -3.007 -5.418 65 1HD ARG 10 HD2 ARG 10 -1.427 -5.432 -5.288 66 2HD ARG 10 HD1 ARG 10 -2.444 -4.306 -4.386 67 HE ARG 10 HE ARG 10 -1.639 -3.054 -6.727 68 1HH1 ARG 10 HH11 ARG 10 -3.631 -5.743 -5.746 69 2HH1 ARG 10 HH12 ARG 10 -4.688 -5.625 -7.112 70 1HH2 ARG 10 HH21 ARG 10 -3.031 -2.893 -8.531 71 2HH2 ARG 10 HH22 ARG 10 -4.347 -4.007 -8.694 72 H ASN 11 HN ASN 11 2.618 -6.496 -2.484 73 HA ASN 11 HA ASN 11 0.717 -8.414 -1.704 74 1HB ASN 11 HB2 ASN 11 3.703 -8.232 -1.684 75 2HB ASN 11 HB1 ASN 11 2.920 -9.555 -0.838 76 1HD2 ASN 11 HD21 ASN 11 4.382 -8.823 -3.593 77 2HD2 ASN 11 HD22 ASN 11 3.572 -9.886 -4.687 78 H ILE 12 HN ILE 12 3.170 -6.697 0.265 79 HA ILE 12 HA ILE 12 2.257 -7.785 2.701 80 HB ILE 12 HB ILE 12 3.787 -5.230 2.217 81 1HG1 ILE 12 HG12 ILE 12 5.591 -6.907 3.261 82 2HG1 ILE 12 HG11 ILE 12 4.540 -8.092 2.492 83 1HG2 ILE 12 HG21 ILE 12 4.517 -5.856 4.680 84 2HG2 ILE 12 HG22 ILE 12 2.918 -6.598 4.708 85 3HG2 ILE 12 HG23 ILE 12 3.085 -4.877 4.363 86 1HD1 ILE 12 HD11 ILE 12 6.540 -6.461 1.325 87 2HD1 ILE 12 HD12 ILE 12 4.980 -6.023 0.629 88 3HD1 ILE 12 HD13 ILE 12 5.535 -7.696 0.568 89 H TYR 13 HN TYR 13 1.573 -4.705 1.094 90 HA TYR 13 HA TYR 13 -0.057 -3.603 3.071 91 1HB TYR 13 HB2 TYR 13 0.917 -2.625 0.848 92 2HB TYR 13 HB1 TYR 13 -0.608 -3.168 0.164 93 HD1 TYR 13 HD1 TYR 13 1.019 -0.434 1.519 94 HD2 TYR 13 HD2 TYR 13 -2.721 -2.452 1.696 95 HE1 TYR 13 HE1 TYR 13 -0.055 1.638 2.291 96 HE2 TYR 13 HE2 TYR 13 -3.806 -0.384 2.469 97 HH TYR 13 HH TYR 13 -3.307 2.145 2.250 98 H ASN 14 HN ASN 14 -0.909 -5.575 0.236 99 HA ASN 14 HA ASN 14 -3.680 -5.611 0.744 100 1HB ASN 14 HB2 ASN 14 -1.825 -7.202 -0.985 101 2HB ASN 14 HB1 ASN 14 -3.498 -7.691 -0.803 102 1HD2 ASN 14 HD21 ASN 14 -1.792 -4.601 -1.212 103 2HD2 ASN 14 HD22 ASN 14 -2.782 -4.035 -2.507 104 H THR 15 HN THR 15 -1.149 -8.092 1.318 105 HA THR 15 HA THR 15 -2.896 -9.925 2.563 106 HB THR 15 HB THR 15 -0.643 -10.491 1.707 107 HG1 THR 15 HG1 THR 15 -1.215 -12.083 2.971 108 1HG2 THR 15 HG21 THR 15 1.325 -9.876 2.647 109 2HG2 THR 15 HG22 THR 15 0.615 -9.631 4.242 110 3HG2 THR 15 HG23 THR 15 0.385 -8.421 2.980 111 H CYS 16 HN CYS 16 -0.996 -7.248 3.778 112 HA CYS 16 HA CYS 16 -1.249 -7.651 6.521 113 1HB CYS 16 HB2 CYS 16 0.214 -5.936 5.835 114 2HB CYS 16 HB1 CYS 16 -0.993 -5.199 4.795 115 H ARG 17 HN ARG 17 -3.257 -5.623 4.384 116 HA ARG 17 HA ARG 17 -5.267 -5.100 6.271 117 1HB ARG 17 HB2 ARG 17 -4.895 -4.762 3.389 118 2HB ARG 17 HB1 ARG 17 -6.568 -5.067 3.830 119 1HG ARG 17 HG2 ARG 17 -5.114 -3.051 5.429 120 2HG ARG 17 HG1 ARG 17 -5.508 -2.626 3.762 121 1HD ARG 17 HD2 ARG 17 -7.854 -3.116 4.173 122 2HD ARG 17 HD1 ARG 17 -7.478 -3.608 5.823 123 HE ARG 17 HE ARG 17 -7.447 -1.406 6.426 124 1HH1 ARG 17 HH11 ARG 17 -7.142 -1.611 2.955 125 2HH1 ARG 17 HH12 ARG 17 -7.266 0.098 2.718 126 1HH2 ARG 17 HH21 ARG 17 -7.609 0.844 6.116 127 2HH2 ARG 17 HH22 ARG 17 -7.531 1.493 4.512 128 H LEU 18 HN LEU 18 -4.817 -7.718 3.938 129 HA LEU 18 HA LEU 18 -7.343 -8.925 4.307 130 1HB LEU 18 HB2 LEU 18 -4.796 -9.608 3.028 131 2HB LEU 18 HB1 LEU 18 -5.674 -10.999 3.632 132 HG LEU 18 HG LEU 18 -6.702 -8.959 1.659 133 1HD1 LEU 18 HD11 LEU 18 -6.110 -11.889 1.285 134 2HD1 LEU 18 HD12 LEU 18 -5.027 -10.584 0.804 135 3HD1 LEU 18 HD13 LEU 18 -6.614 -10.734 0.052 136 1HD2 LEU 18 HD21 LEU 18 -8.581 -10.702 1.483 137 2HD2 LEU 18 HD22 LEU 18 -8.599 -9.593 2.854 138 3HD2 LEU 18 HD23 LEU 18 -8.029 -11.248 3.067 139 H GLY 19 HN GLY 19 -4.578 -8.777 6.296 140 1HA GLY 19 HA2 GLY 19 -5.547 -11.052 7.889 141 2HA GLY 19 HA1 GLY 19 -3.900 -10.442 7.920 142 H GLY 20 HN GLY 20 -6.322 -8.023 7.803 143 1HA GLY 20 HA2 GLY 20 -7.122 -6.555 9.379 144 2HA GLY 20 HA1 GLY 20 -6.893 -7.824 10.572 145 H GLY 21 HN GLY 21 -4.854 -5.721 8.555 146 1HA GLY 21 HA2 GLY 21 -3.296 -5.086 10.969 147 2HA GLY 21 HA1 GLY 21 -2.519 -5.429 9.430 148 H SER 22 HN SER 22 -3.301 -3.036 11.418 149 HA SER 22 HA SER 22 -4.563 -0.993 10.205 150 1HB SER 22 HB2 SER 22 -1.985 -0.093 11.273 151 2HB SER 22 HB1 SER 22 -3.625 0.316 11.778 152 HG SER 22 HG SER 22 -3.054 -0.872 13.440 153 H ARG 23 HN ARG 23 -3.963 0.804 8.922 154 HA ARG 23 HA ARG 23 -2.740 0.137 6.507 155 1HB ARG 23 HB2 ARG 23 -4.315 2.173 7.361 156 2HB ARG 23 HB1 ARG 23 -2.772 3.000 7.204 157 1HG ARG 23 HG2 ARG 23 -2.678 2.684 4.928 158 2HG ARG 23 HG1 ARG 23 -3.760 1.291 4.969 159 1HD ARG 23 HD2 ARG 23 -4.717 3.424 4.003 160 2HD ARG 23 HD1 ARG 23 -5.662 2.654 5.273 161 HE ARG 23 HE ARG 23 -4.170 5.158 5.474 162 1HH1 ARG 23 HH11 ARG 23 -6.186 2.759 7.026 163 2HH1 ARG 23 HH12 ARG 23 -6.605 3.794 8.349 164 1HH2 ARG 23 HH21 ARG 23 -4.723 6.509 7.214 165 2HH2 ARG 23 HH22 ARG 23 -5.777 5.918 8.457 166 H GLU 24 HN GLU 24 -1.493 1.787 9.327 167 HA GLU 24 HA GLU 24 0.984 2.545 8.152 168 1HB GLU 24 HB2 GLU 24 0.709 2.156 11.101 169 2HB GLU 24 HB1 GLU 24 1.526 3.437 10.213 170 1HG GLU 24 HG2 GLU 24 -0.840 4.121 9.460 171 2HG GLU 24 HG1 GLU 24 -1.388 3.115 10.802 172 H ARG 25 HN ARG 25 -0.072 -0.252 10.012 173 HA ARG 25 HA ARG 25 2.390 -1.387 10.603 174 1HB ARG 25 HB2 ARG 25 -0.102 -2.118 11.137 175 2HB ARG 25 HB1 ARG 25 0.156 -3.172 9.752 176 1HG ARG 25 HG2 ARG 25 2.352 -3.802 11.041 177 2HG ARG 25 HG1 ARG 25 1.444 -3.209 12.433 178 1HD ARG 25 HD2 ARG 25 -0.432 -4.761 11.328 179 2HD ARG 25 HD1 ARG 25 1.003 -5.605 10.750 180 HE ARG 25 HE ARG 25 1.382 -6.344 12.880 181 1HH1 ARG 25 HH11 ARG 25 -0.883 -3.691 13.000 182 2HH1 ARG 25 HH12 ARG 25 -1.220 -3.892 14.687 183 1HH2 ARG 25 HH21 ARG 25 0.938 -6.609 15.098 184 2HH2 ARG 25 HH22 ARG 25 -0.186 -5.547 15.878 185 H CYS 26 HN CYS 26 0.402 -1.770 7.697 186 HA CYS 26 HA CYS 26 2.232 -3.525 6.397 187 1HB CYS 26 HB2 CYS 26 0.561 -2.032 4.543 188 2HB CYS 26 HB1 CYS 26 0.638 -3.758 4.848 189 H ALA 27 HN ALA 27 1.700 -0.046 6.342 190 HA ALA 27 HA ALA 27 3.407 0.538 4.180 191 1HB ALA 27 HB1 ALA 27 1.849 2.193 4.877 192 2HB ALA 27 HB2 ALA 27 3.461 2.845 5.178 193 3HB ALA 27 HB3 ALA 27 2.502 2.210 6.515 194 H SER 28 HN SER 28 4.010 0.359 7.666 195 HA SER 28 HA SER 28 6.716 1.186 7.505 196 1HB SER 28 HB2 SER 28 5.422 1.357 9.588 197 2HB SER 28 HB1 SER 28 5.315 -0.400 9.668 198 HG SER 28 HG SER 28 7.086 -0.173 10.794 199 H LEU 29 HN LEU 29 5.131 -1.970 7.594 200 HA LEU 29 HA LEU 29 7.532 -3.487 7.698 201 1HB LEU 29 HB2 LEU 29 4.807 -4.011 7.895 202 2HB LEU 29 HB1 LEU 29 5.299 -4.857 6.441 203 HG LEU 29 HG LEU 29 7.258 -5.656 8.117 204 1HD1 LEU 29 HD11 LEU 29 5.868 -6.314 10.222 205 2HD1 LEU 29 HD12 LEU 29 4.910 -4.896 9.796 206 3HD1 LEU 29 HD13 LEU 29 6.635 -4.729 10.130 207 1HD2 LEU 29 HD21 LEU 29 4.521 -6.842 7.704 208 2HD2 LEU 29 HD22 LEU 29 5.855 -7.704 8.470 209 3HD2 LEU 29 HD23 LEU 29 5.993 -7.177 6.792 210 H SER 30 HN SER 30 5.324 -2.652 5.038 211 HA SER 30 HA SER 30 7.094 -3.857 3.092 212 1HB SER 30 HB2 SER 30 4.413 -3.587 3.128 213 2HB SER 30 HB1 SER 30 4.842 -2.168 2.174 214 HG SER 30 HG SER 30 6.169 -3.708 0.911 215 H GLY 31 HN GLY 31 5.647 -0.607 3.381 216 1HA GLY 31 HA2 GLY 31 7.138 1.335 3.466 217 2HA GLY 31 HA1 GLY 31 8.189 0.484 2.346 218 H CYS 32 HN CYS 32 4.780 0.281 1.842 219 HA CYS 32 HA CYS 32 4.981 1.444 -0.743 220 1HB CYS 32 HB2 CYS 32 2.763 0.357 0.943 221 2HB CYS 32 HB1 CYS 32 2.355 1.320 -0.469 222 H LYS 33 HN LYS 33 2.864 3.037 -1.162 223 HA LYS 33 HA LYS 33 3.334 5.331 0.621 224 1HB LYS 33 HB2 LYS 33 3.730 5.082 -2.193 225 2HB LYS 33 HB1 LYS 33 2.421 6.222 -1.924 226 1HG LYS 33 HG2 LYS 33 5.225 6.377 -0.846 227 2HG LYS 33 HG1 LYS 33 4.472 7.434 -2.041 228 1HD LYS 33 HD2 LYS 33 3.714 7.182 0.869 229 2HD LYS 33 HD1 LYS 33 4.547 8.539 0.113 230 1HE LYS 33 HE2 LYS 33 2.145 8.032 -1.328 231 2HE LYS 33 HE1 LYS 33 1.761 8.107 0.387 232 1HZ LYS 33 HZ1 LYS 33 1.657 10.280 -0.737 233 2HZ LYS 33 HZ2 LYS 33 3.311 10.174 -1.072 234 3HZ LYS 33 HZ3 LYS 33 2.779 10.256 0.530 235 H ILE 34 HN ILE 34 1.604 6.452 1.362 236 HA ILE 34 HA ILE 34 -1.008 5.255 0.929 237 HB ILE 34 HB ILE 34 0.000 5.967 3.213 238 1HG1 ILE 34 HG12 ILE 34 -2.474 6.875 3.778 239 2HG1 ILE 34 HG11 ILE 34 -2.769 6.173 2.189 240 1HG2 ILE 34 HG21 ILE 34 -1.245 8.600 2.467 241 2HG2 ILE 34 HG22 ILE 34 0.491 8.299 2.410 242 3HG2 ILE 34 HG23 ILE 34 -0.373 8.189 3.944 243 1HD1 ILE 34 HD11 ILE 34 -1.306 4.231 3.469 244 2HD1 ILE 34 HD12 ILE 34 -3.059 4.254 3.269 245 3HD1 ILE 34 HD13 ILE 34 -2.331 4.880 4.749 246 H ILE 35 HN ILE 35 -2.662 6.185 -0.164 247 HA ILE 35 HA ILE 35 -2.107 8.313 -1.955 248 HB ILE 35 HB ILE 35 -4.957 7.717 -1.385 249 1HG1 ILE 35 HG12 ILE 35 -4.160 5.480 -1.141 250 2HG1 ILE 35 HG11 ILE 35 -4.776 5.611 -2.785 251 1HG2 ILE 35 HG21 ILE 35 -3.962 7.399 -4.095 252 2HG2 ILE 35 HG22 ILE 35 -3.540 8.959 -3.391 253 3HG2 ILE 35 HG23 ILE 35 -5.228 8.454 -3.465 254 1HD1 ILE 35 HD11 ILE 35 -2.849 4.766 -3.462 255 2HD1 ILE 35 HD12 ILE 35 -2.138 4.936 -1.858 256 3HD1 ILE 35 HD13 ILE 35 -2.095 6.287 -2.989 257 H SER 36 HN SER 36 -3.112 10.370 -2.093 258 HA SER 36 HA SER 36 -4.224 11.429 0.404 259 1HB SER 36 HB2 SER 36 -1.727 12.286 -0.964 260 2HB SER 36 HB1 SER 36 -2.771 13.561 -0.338 261 HG SER 36 HG SER 36 -1.200 12.802 1.188 262 H ALA 37 HN ALA 37 -5.222 10.690 -2.334 263 HA ALA 37 HA ALA 37 -7.089 12.750 -2.663 264 1HB ALA 37 HB1 ALA 37 -5.563 14.204 -3.606 265 2HB ALA 37 HB2 ALA 37 -6.232 13.407 -5.030 266 3HB ALA 37 HB3 ALA 37 -4.662 12.909 -4.397 267 H SER 38 HN SER 38 -5.219 10.327 -4.435 268 HA SER 38 HA SER 38 -7.114 8.425 -4.796 269 1HB SER 38 HB2 SER 38 -7.666 10.730 -6.510 270 2HB SER 38 HB1 SER 38 -7.546 9.217 -7.406 271 HG SER 38 HG SER 38 -9.518 10.094 -5.773 272 H THR 39 HN THR 39 -5.005 10.271 -6.998 273 HA THR 39 HA THR 39 -3.924 7.830 -8.109 274 HB THR 39 HB THR 39 -4.330 9.769 -9.556 275 HG1 THR 39 HG1 THR 39 -2.626 8.331 -10.086 276 1HG2 THR 39 HG21 THR 39 -3.946 11.711 -8.394 277 2HG2 THR 39 HG22 THR 39 -2.500 11.597 -9.397 278 3HG2 THR 39 HG23 THR 39 -2.436 11.124 -7.698 279 H CYS 40 HN CYS 40 -1.461 7.736 -8.387 280 HA CYS 40 HA CYS 40 -0.308 7.705 -5.755 281 1HB CYS 40 HB2 CYS 40 0.546 6.788 -8.471 282 2HB CYS 40 HB1 CYS 40 1.758 6.954 -7.205 283 HA PRO 41 HA PRO 41 1.747 11.611 -5.960 284 1HB PRO 41 HB2 PRO 41 3.694 11.226 -4.127 285 2HB PRO 41 HB1 PRO 41 1.993 11.408 -3.684 286 1HG PRO 41 HG2 PRO 41 3.636 8.923 -3.910 287 2HG PRO 41 HG1 PRO 41 2.420 9.359 -2.699 288 1HD PRO 41 HD2 PRO 41 1.931 7.688 -4.809 289 2HD PRO 41 HD1 PRO 41 0.682 8.662 -4.013 290 H SER 42 HN SER 42 4.074 8.902 -5.747 291 HA SER 42 HA SER 42 6.114 10.306 -7.141 292 1HB SER 42 HB2 SER 42 6.812 8.578 -5.654 293 2HB SER 42 HB1 SER 42 5.756 7.394 -6.423 294 HG SER 42 HG SER 42 7.093 7.321 -8.162 295 H ASP 43 HN ASP 43 4.840 7.174 -8.202 296 HA ASP 43 HA ASP 43 3.647 7.979 -10.580 297 1HB ASP 43 HB2 ASP 43 5.482 7.275 -12.192 298 2HB ASP 43 HB1 ASP 43 5.715 8.823 -11.386 299 H TYR 44 HN TYR 44 3.342 5.991 -8.537 300 HA TYR 44 HA TYR 44 3.920 3.473 -9.882 301 1HB TYR 44 HB2 TYR 44 2.458 3.747 -7.268 302 2HB TYR 44 HB1 TYR 44 3.373 2.375 -7.869 303 HD1 TYR 44 HD1 TYR 44 3.702 3.547 -5.140 304 HD2 TYR 44 HD2 TYR 44 5.681 4.429 -8.803 305 HE1 TYR 44 HE1 TYR 44 5.670 4.317 -3.885 306 HE2 TYR 44 HE2 TYR 44 7.655 5.201 -7.555 307 HH TYR 44 HH TYR 44 7.908 6.196 -4.941 308 HA PRO 45 HA PRO 45 -0.023 3.089 -11.808 309 1HB PRO 45 HB2 PRO 45 0.109 0.204 -11.173 310 2HB PRO 45 HB1 PRO 45 -0.016 1.007 -12.741 311 1HG PRO 45 HG2 PRO 45 2.265 -0.140 -11.956 312 2HG PRO 45 HG1 PRO 45 2.262 1.366 -12.892 313 1HD PRO 45 HD2 PRO 45 2.700 0.953 -9.960 314 2HD PRO 45 HD1 PRO 45 3.519 2.062 -11.081 315 H LYS 46 HN LYS 46 0.468 1.524 -8.685 316 HA LYS 46 HA LYS 46 -2.284 1.033 -8.180 317 1HB LYS 46 HB2 LYS 46 0.213 0.576 -6.859 318 2HB LYS 46 HB1 LYS 46 -0.903 1.310 -5.718 319 1HG LYS 46 HG2 LYS 46 -2.035 -0.861 -7.333 320 2HG LYS 46 HG1 LYS 46 -0.748 -1.336 -6.224 321 1HD LYS 46 HD2 LYS 46 -2.975 0.410 -5.263 322 2HD LYS 46 HD1 LYS 46 -3.225 -1.329 -5.413 323 1HE LYS 46 HE2 LYS 46 -0.797 -1.148 -4.123 324 2HE LYS 46 HE1 LYS 46 -1.718 0.185 -3.430 325 1HZ LYS 46 HZ1 LYS 46 -3.243 -1.219 -2.511 326 2HZ LYS 46 HZ2 LYS 46 -1.870 -2.203 -2.428 327 3HZ LYS 46 HZ3 LYS 46 -3.007 -2.438 -3.659 Start of MODEL 13 1 1H LYS 1 HT1 LYS 1 -7.362 1.342 0.056 2 2H LYS 1 HT2 LYS 1 -6.173 2.554 0.307 3 3H LYS 1 HT3 LYS 1 -5.843 0.923 0.731 4 HA LYS 1 HA LYS 1 -6.241 0.399 -1.670 5 1HB LYS 1 HB2 LYS 1 -6.563 3.291 -1.567 6 2HB LYS 1 HB1 LYS 1 -5.339 2.817 -2.736 7 1HG LYS 1 HG2 LYS 1 -8.246 2.080 -2.676 8 2HG LYS 1 HG1 LYS 1 -7.352 2.934 -3.933 9 1HD LYS 1 HD2 LYS 1 -7.353 0.012 -3.265 10 2HD LYS 1 HD1 LYS 1 -7.625 0.798 -4.820 11 1HE LYS 1 HE2 LYS 1 -5.138 1.604 -4.457 12 2HE LYS 1 HE1 LYS 1 -5.071 0.186 -3.412 13 1HZ LYS 1 HZ1 LYS 1 -4.875 0.279 -6.192 14 2HZ LYS 1 HZ2 LYS 1 -6.314 -0.526 -5.828 15 3HZ LYS 1 HZ3 LYS 1 -4.851 -1.086 -5.194 16 H SER 2 HN SER 2 -4.104 3.031 -0.585 17 HA SER 2 HA SER 2 -1.874 3.063 -0.124 18 1HB SER 2 HB2 SER 2 -0.733 1.151 0.434 19 2HB SER 2 HB1 SER 2 -2.384 0.538 0.529 20 HG SER 2 HG SER 2 -1.723 -0.867 -0.878 21 H CYS 3 HN CYS 3 0.106 3.248 -1.253 22 HA CYS 3 HA CYS 3 -0.087 2.842 -4.168 23 1HB CYS 3 HB2 CYS 3 -0.283 5.281 -3.053 24 2HB CYS 3 HB1 CYS 3 1.470 5.158 -3.138 25 H CYS 4 HN CYS 4 1.552 1.617 -4.940 26 HA CYS 4 HA CYS 4 4.175 1.832 -3.662 27 1HB CYS 4 HB2 CYS 4 2.467 -0.321 -3.145 28 2HB CYS 4 HB1 CYS 4 3.633 -0.938 -4.310 29 HA PRO 5 HA PRO 5 5.517 1.413 -7.849 30 1HB PRO 5 HB2 PRO 5 8.135 1.143 -7.481 31 2HB PRO 5 HB1 PRO 5 7.290 2.604 -6.958 32 1HG PRO 5 HG2 PRO 5 8.313 0.327 -5.342 33 2HG PRO 5 HG1 PRO 5 8.197 2.044 -4.920 34 1HD PRO 5 HD2 PRO 5 6.388 -0.015 -4.207 35 2HD PRO 5 HD1 PRO 5 6.160 1.728 -3.977 36 H ASN 6 HN ASN 6 5.276 -1.335 -5.989 37 HA ASN 6 HA ASN 6 5.729 -3.027 -8.251 38 1HB ASN 6 HB2 ASN 6 7.785 -2.840 -6.108 39 2HB ASN 6 HB1 ASN 6 7.402 -4.443 -6.726 40 1HD2 ASN 6 HD21 ASN 6 9.517 -2.053 -7.034 41 2HD2 ASN 6 HD22 ASN 6 9.954 -2.216 -8.697 42 H THR 7 HN THR 7 4.920 -5.120 -7.986 43 HA THR 7 HA THR 7 2.750 -5.411 -6.265 44 HB THR 7 HB THR 7 2.865 -6.732 -8.262 45 HG1 THR 7 HG1 THR 7 1.852 -8.236 -7.245 46 1HG2 THR 7 HG21 THR 7 4.491 -8.732 -8.255 47 2HG2 THR 7 HG22 THR 7 5.441 -7.743 -7.146 48 3HG2 THR 7 HG23 THR 7 5.075 -7.150 -8.766 49 H THR 8 HN THR 8 6.123 -6.109 -5.801 50 HA THR 8 HA THR 8 6.018 -7.928 -3.699 51 HB THR 8 HB THR 8 8.198 -6.552 -3.003 52 HG1 THR 8 HG1 THR 8 7.530 -4.898 -4.610 53 1HG2 THR 8 HG21 THR 8 8.079 -8.847 -4.031 54 2HG2 THR 8 HG22 THR 8 9.510 -7.892 -4.423 55 3HG2 THR 8 HG23 THR 8 8.206 -8.053 -5.600 56 H GLY 9 HN GLY 9 5.366 -4.510 -3.762 57 1HA GLY 9 HA2 GLY 9 5.307 -4.356 -0.842 58 2HA GLY 9 HA1 GLY 9 5.104 -3.009 -1.957 59 H ARG 10 HN ARG 10 3.166 -3.884 -3.625 60 HA ARG 10 HA ARG 10 0.797 -3.347 -2.300 61 1HB ARG 10 HB2 ARG 10 1.176 -3.222 -4.753 62 2HB ARG 10 HB1 ARG 10 1.146 -4.979 -4.816 63 1HG ARG 10 HG2 ARG 10 -0.998 -4.554 -5.370 64 2HG ARG 10 HG1 ARG 10 -1.168 -4.621 -3.616 65 1HD ARG 10 HD2 ARG 10 -2.050 -2.576 -3.705 66 2HD ARG 10 HD1 ARG 10 -0.459 -1.983 -4.178 67 HE ARG 10 HE ARG 10 -1.635 -2.897 -6.483 68 1HH1 ARG 10 HH11 ARG 10 -2.360 -0.488 -4.071 69 2HH1 ARG 10 HH12 ARG 10 -3.196 0.549 -5.176 70 1HH2 ARG 10 HH21 ARG 10 -2.733 -1.539 -7.943 71 2HH2 ARG 10 HH22 ARG 10 -3.405 -0.046 -7.379 72 H ASN 11 HN ASN 11 2.562 -6.320 -2.618 73 HA ASN 11 HA ASN 11 0.453 -8.119 -2.036 74 1HB ASN 11 HB2 ASN 11 3.448 -8.260 -2.047 75 2HB ASN 11 HB1 ASN 11 2.513 -9.582 -1.372 76 1HD2 ASN 11 HD21 ASN 11 4.208 -9.082 -3.876 77 2HD2 ASN 11 HD22 ASN 11 3.243 -9.741 -5.148 78 H ILE 12 HN ILE 12 3.114 -6.865 0.010 79 HA ILE 12 HA ILE 12 2.158 -8.087 2.362 80 HB ILE 12 HB ILE 12 3.965 -5.704 1.975 81 1HG1 ILE 12 HG12 ILE 12 5.443 -7.636 3.169 82 2HG1 ILE 12 HG11 ILE 12 4.302 -8.628 2.266 83 1HG2 ILE 12 HG21 ILE 12 4.556 -6.042 4.401 84 2HG2 ILE 12 HG22 ILE 12 3.106 -7.037 4.535 85 3HG2 ILE 12 HG23 ILE 12 2.970 -5.333 4.098 86 1HD1 ILE 12 HD11 ILE 12 6.630 -7.354 1.336 87 2HD1 ILE 12 HD12 ILE 12 5.255 -6.559 0.572 88 3HD1 ILE 12 HD13 ILE 12 5.460 -8.303 0.419 89 H TYR 13 HN TYR 13 1.609 -4.865 1.006 90 HA TYR 13 HA TYR 13 0.119 -3.871 3.163 91 1HB TYR 13 HB2 TYR 13 1.123 -2.762 0.973 92 2HB TYR 13 HB1 TYR 13 -0.510 -3.027 0.385 93 HD1 TYR 13 HD1 TYR 13 1.617 -0.831 2.141 94 HD2 TYR 13 HD2 TYR 13 -2.425 -2.142 1.944 95 HE1 TYR 13 HE1 TYR 13 0.901 1.226 3.280 96 HE2 TYR 13 HE2 TYR 13 -3.152 -0.087 3.080 97 HH TYR 13 HH TYR 13 -0.911 2.102 4.532 98 H ASN 14 HN ASN 14 -0.858 -5.528 0.183 99 HA ASN 14 HA ASN 14 -3.630 -5.420 0.667 100 1HB ASN 14 HB2 ASN 14 -1.840 -6.997 -1.131 101 2HB ASN 14 HB1 ASN 14 -3.517 -7.483 -0.954 102 1HD2 ASN 14 HD21 ASN 14 -1.841 -4.363 -1.178 103 2HD2 ASN 14 HD22 ASN 14 -2.812 -3.744 -2.464 104 H THR 15 HN THR 15 -1.297 -8.118 1.090 105 HA THR 15 HA THR 15 -3.156 -9.869 2.273 106 HB THR 15 HB THR 15 -1.016 -10.646 1.411 107 HG1 THR 15 HG1 THR 15 -1.789 -12.052 2.865 108 1HG2 THR 15 HG21 THR 15 1.030 -10.048 2.118 109 2HG2 THR 15 HG22 THR 15 0.508 -9.829 3.789 110 3HG2 THR 15 HG23 THR 15 0.191 -8.572 2.594 111 H CYS 16 HN CYS 16 -0.976 -7.467 3.658 112 HA CYS 16 HA CYS 16 -1.291 -7.967 6.356 113 1HB CYS 16 HB2 CYS 16 0.283 -6.335 5.816 114 2HB CYS 16 HB1 CYS 16 -0.811 -5.498 4.729 115 H ARG 17 HN ARG 17 -3.198 -5.744 4.320 116 HA ARG 17 HA ARG 17 -5.119 -5.115 6.269 117 1HB ARG 17 HB2 ARG 17 -4.798 -4.754 3.381 118 2HB ARG 17 HB1 ARG 17 -6.477 -4.933 3.870 119 1HG ARG 17 HG2 ARG 17 -5.614 -3.161 5.715 120 2HG ARG 17 HG1 ARG 17 -4.592 -2.732 4.342 121 1HD ARG 17 HD2 ARG 17 -6.522 -1.396 4.137 122 2HD ARG 17 HD1 ARG 17 -6.712 -2.691 2.956 123 HE ARG 17 HE ARG 17 -8.542 -3.427 4.114 124 1HH1 ARG 17 HH11 ARG 17 -6.716 -1.265 6.158 125 2HH1 ARG 17 HH12 ARG 17 -7.918 -1.227 7.404 126 1HH2 ARG 17 HH21 ARG 17 -10.124 -3.377 5.751 127 2HH2 ARG 17 HH22 ARG 17 -9.853 -2.427 7.173 128 H LEU 18 HN LEU 18 -4.887 -7.732 3.922 129 HA LEU 18 HA LEU 18 -7.488 -8.761 4.255 130 1HB LEU 18 HB2 LEU 18 -4.970 -9.625 3.037 131 2HB LEU 18 HB1 LEU 18 -5.939 -10.954 3.642 132 HG LEU 18 HG LEU 18 -6.808 -8.882 1.626 133 1HD1 LEU 18 HD11 LEU 18 -5.231 -10.604 0.804 134 2HD1 LEU 18 HD12 LEU 18 -6.822 -10.699 0.051 135 3HD1 LEU 18 HD13 LEU 18 -6.374 -11.847 1.312 136 1HD2 LEU 18 HD21 LEU 18 -8.757 -9.383 2.810 137 2HD2 LEU 18 HD22 LEU 18 -8.299 -11.072 3.030 138 3HD2 LEU 18 HD23 LEU 18 -8.794 -10.493 1.440 139 H GLY 19 HN GLY 19 -4.784 -8.778 6.330 140 1HA GLY 19 HA2 GLY 19 -5.937 -10.983 7.899 141 2HA GLY 19 HA1 GLY 19 -4.258 -10.474 7.977 142 H GLY 20 HN GLY 20 -6.614 -7.972 7.802 143 1HA GLY 20 HA2 GLY 20 -7.429 -6.496 9.364 144 2HA GLY 20 HA1 GLY 20 -7.135 -7.724 10.585 145 H GLY 21 HN GLY 21 -5.202 -5.626 8.450 146 1HA GLY 21 HA2 GLY 21 -3.663 -4.800 10.815 147 2HA GLY 21 HA1 GLY 21 -2.839 -5.311 9.349 148 H SER 22 HN SER 22 -3.653 -2.701 11.032 149 HA SER 22 HA SER 22 -4.880 -0.816 9.545 150 1HB SER 22 HB2 SER 22 -2.339 0.200 10.603 151 2HB SER 22 HB1 SER 22 -3.993 0.671 10.987 152 HG SER 22 HG SER 22 -2.466 -1.448 12.062 153 H ARG 23 HN ARG 23 -4.205 0.828 8.080 154 HA ARG 23 HA ARG 23 -2.831 -0.156 5.842 155 1HB ARG 23 HB2 ARG 23 -4.255 2.248 6.595 156 2HB ARG 23 HB1 ARG 23 -2.845 2.626 5.619 157 1HG ARG 23 HG2 ARG 23 -3.794 1.853 3.757 158 2HG ARG 23 HG1 ARG 23 -4.386 0.398 4.560 159 1HD ARG 23 HD2 ARG 23 -6.272 1.658 3.783 160 2HD ARG 23 HD1 ARG 23 -6.220 1.755 5.542 161 HE ARG 23 HE ARG 23 -5.857 4.012 5.378 162 1HH1 ARG 23 HH11 ARG 23 -5.344 2.548 2.252 163 2HH1 ARG 23 HH12 ARG 23 -5.218 4.062 1.424 164 1HH2 ARG 23 HH21 ARG 23 -5.691 6.006 4.290 165 2HH2 ARG 23 HH22 ARG 23 -5.414 6.027 2.580 166 H GLU 24 HN GLU 24 -1.862 1.935 8.469 167 HA GLU 24 HA GLU 24 0.664 2.648 7.375 168 1HB GLU 24 HB2 GLU 24 0.172 2.661 10.321 169 2HB GLU 24 HB1 GLU 24 1.009 3.842 9.321 170 1HG GLU 24 HG2 GLU 24 -1.313 4.297 8.306 171 2HG GLU 24 HG1 GLU 24 -1.927 3.467 9.735 172 H ARG 25 HN ARG 25 -0.415 0.078 9.540 173 HA ARG 25 HA ARG 25 2.048 -0.815 10.457 174 1HB ARG 25 HB2 ARG 25 -0.138 -1.636 11.274 175 2HB ARG 25 HB1 ARG 25 -0.358 -2.509 9.764 176 1HG ARG 25 HG2 ARG 25 1.752 -3.761 10.300 177 2HG ARG 25 HG1 ARG 25 1.693 -3.016 11.899 178 1HD ARG 25 HD2 ARG 25 -0.211 -4.169 12.513 179 2HD ARG 25 HD1 ARG 25 -0.708 -4.440 10.843 180 HE ARG 25 HE ARG 25 0.554 -6.351 10.810 181 1HH1 ARG 25 HH11 ARG 25 1.468 -4.436 13.581 182 2HH1 ARG 25 HH12 ARG 25 2.469 -5.673 14.263 183 1HH2 ARG 25 HH21 ARG 25 1.869 -7.978 11.706 184 2HH2 ARG 25 HH22 ARG 25 2.698 -7.685 13.198 185 H CYS 26 HN CYS 26 0.309 -1.718 7.506 186 HA CYS 26 HA CYS 26 2.319 -3.534 6.617 187 1HB CYS 26 HB2 CYS 26 0.713 -2.378 4.467 188 2HB CYS 26 HB1 CYS 26 0.898 -4.053 4.958 189 H ALA 27 HN ALA 27 1.617 -0.135 6.036 190 HA ALA 27 HA ALA 27 3.361 0.377 3.943 191 1HB ALA 27 HB1 ALA 27 1.699 1.905 5.410 192 2HB ALA 27 HB2 ALA 27 2.925 2.564 4.327 193 3HB ALA 27 HB3 ALA 27 3.253 2.438 6.055 194 H SER 28 HN SER 28 4.023 0.458 7.439 195 HA SER 28 HA SER 28 6.786 1.040 7.126 196 1HB SER 28 HB2 SER 28 5.515 1.533 9.205 197 2HB SER 28 HB1 SER 28 5.375 -0.199 9.501 198 HG SER 28 HG SER 28 7.252 -0.057 10.409 199 H LEU 29 HN LEU 29 4.878 -1.831 7.053 200 HA LEU 29 HA LEU 29 6.924 -3.716 7.621 201 1HB LEU 29 HB2 LEU 29 4.223 -3.835 7.377 202 2HB LEU 29 HB1 LEU 29 4.713 -4.541 5.850 203 HG LEU 29 HG LEU 29 4.291 -6.205 7.652 204 1HD1 LEU 29 HD11 LEU 29 5.834 -7.610 6.799 205 2HD1 LEU 29 HD12 LEU 29 7.170 -6.497 7.092 206 3HD1 LEU 29 HD13 LEU 29 6.122 -6.267 5.692 207 1HD2 LEU 29 HD21 LEU 29 5.636 -6.386 9.544 208 2HD2 LEU 29 HD22 LEU 29 5.329 -4.654 9.421 209 3HD2 LEU 29 HD23 LEU 29 6.873 -5.316 8.886 210 H SER 30 HN SER 30 5.354 -2.833 4.539 211 HA SER 30 HA SER 30 7.519 -4.089 3.067 212 1HB SER 30 HB2 SER 30 4.807 -3.793 2.580 213 2HB SER 30 HB1 SER 30 5.555 -2.655 1.460 214 HG SER 30 HG SER 30 6.739 -4.318 0.581 215 H GLY 31 HN GLY 31 6.016 -0.872 3.284 216 1HA GLY 31 HA2 GLY 31 7.610 1.013 3.500 217 2HA GLY 31 HA1 GLY 31 8.540 0.242 2.225 218 H CYS 32 HN CYS 32 5.109 0.150 1.914 219 HA CYS 32 HA CYS 32 5.173 1.602 -0.524 220 1HB CYS 32 HB2 CYS 32 2.899 0.607 1.200 221 2HB CYS 32 HB1 CYS 32 2.665 1.384 -0.356 222 H LYS 33 HN LYS 33 3.126 3.272 -0.665 223 HA LYS 33 HA LYS 33 3.591 5.284 1.431 224 1HB LYS 33 HB2 LYS 33 4.704 5.769 -0.798 225 2HB LYS 33 HB1 LYS 33 3.088 5.928 -1.471 226 1HG LYS 33 HG2 LYS 33 4.139 8.084 -0.870 227 2HG LYS 33 HG1 LYS 33 2.607 7.792 -0.047 228 1HD LYS 33 HD2 LYS 33 4.879 6.782 1.455 229 2HD LYS 33 HD1 LYS 33 5.007 8.512 1.135 230 1HE LYS 33 HE2 LYS 33 2.330 7.955 1.903 231 2HE LYS 33 HE1 LYS 33 3.403 7.171 3.062 232 1HZ LYS 33 HZ1 LYS 33 3.509 10.035 2.280 233 2HZ LYS 33 HZ2 LYS 33 4.524 9.280 3.403 234 3HZ LYS 33 HZ3 LYS 33 2.870 9.432 3.727 235 H ILE 34 HN ILE 34 1.823 5.972 2.426 236 HA ILE 34 HA ILE 34 -0.751 5.001 1.658 237 HB ILE 34 HB ILE 34 0.047 5.405 4.034 238 1HG1 ILE 34 HG12 ILE 34 -2.289 6.451 4.650 239 2HG1 ILE 34 HG11 ILE 34 -2.598 6.255 2.926 240 1HG2 ILE 34 HG21 ILE 34 -0.821 8.242 3.569 241 2HG2 ILE 34 HG22 ILE 34 0.868 7.744 3.489 242 3HG2 ILE 34 HG23 ILE 34 -0.037 7.550 4.990 243 1HD1 ILE 34 HD11 ILE 34 -3.307 4.381 4.517 244 2HD1 ILE 34 HD12 ILE 34 -1.591 3.978 4.583 245 3HD1 ILE 34 HD13 ILE 34 -2.447 3.941 3.042 246 H ILE 35 HN ILE 35 -2.142 5.901 0.293 247 HA ILE 35 HA ILE 35 -1.770 8.732 -0.414 248 HB ILE 35 HB ILE 35 -3.366 7.852 -2.392 249 1HG1 ILE 35 HG12 ILE 35 -2.424 5.649 -3.161 250 2HG1 ILE 35 HG11 ILE 35 -1.688 5.476 -1.571 251 1HG2 ILE 35 HG21 ILE 35 -0.859 8.830 -2.189 252 2HG2 ILE 35 HG22 ILE 35 -1.614 8.350 -3.708 253 3HG2 ILE 35 HG23 ILE 35 -0.533 7.237 -2.870 254 1HD1 ILE 35 HD11 ILE 35 -4.585 6.027 -1.627 255 2HD1 ILE 35 HD12 ILE 35 -3.646 4.967 -0.575 256 3HD1 ILE 35 HD13 ILE 35 -4.061 4.446 -2.207 257 H SER 36 HN SER 36 -3.996 9.514 -1.499 258 HA SER 36 HA SER 36 -6.308 8.710 0.052 259 1HB SER 36 HB2 SER 36 -6.738 10.894 0.999 260 2HB SER 36 HB1 SER 36 -5.118 10.389 1.479 261 HG SER 36 HG SER 36 -4.247 11.861 0.165 262 H ALA 37 HN ALA 37 -8.256 9.311 -0.886 263 HA ALA 37 HA ALA 37 -9.696 9.922 -2.539 264 1HB ALA 37 HB1 ALA 37 -8.324 12.149 -2.114 265 2HB ALA 37 HB2 ALA 37 -9.502 12.013 -3.420 266 3HB ALA 37 HB3 ALA 37 -7.781 11.832 -3.762 267 H SER 38 HN SER 38 -7.340 7.982 -2.947 268 HA SER 38 HA SER 38 -6.871 6.446 -4.569 269 1HB SER 38 HB2 SER 38 -9.193 7.654 -5.587 270 2HB SER 38 HB1 SER 38 -8.035 7.669 -6.916 271 HG SER 38 HG SER 38 -8.763 5.400 -5.371 272 H THR 39 HN THR 39 -6.887 9.734 -5.962 273 HA THR 39 HA THR 39 -4.963 9.572 -7.844 274 HB THR 39 HB THR 39 -5.976 11.668 -7.557 275 HG1 THR 39 HG1 THR 39 -3.779 11.875 -8.111 276 1HG2 THR 39 HG21 THR 39 -5.425 11.269 -4.724 277 2HG2 THR 39 HG22 THR 39 -6.703 12.189 -5.519 278 3HG2 THR 39 HG23 THR 39 -5.109 12.908 -5.292 279 H CYS 40 HN CYS 40 -2.841 9.213 -7.999 280 HA CYS 40 HA CYS 40 -1.267 9.101 -5.508 281 1HB CYS 40 HB2 CYS 40 -1.594 7.133 -7.682 282 2HB CYS 40 HB1 CYS 40 0.064 7.392 -7.153 283 HA PRO 41 HA PRO 41 1.727 11.910 -7.062 284 1HB PRO 41 HB2 PRO 41 3.777 9.829 -6.452 285 2HB PRO 41 HB1 PRO 41 3.694 11.515 -5.928 286 1HG PRO 41 HG2 PRO 41 3.094 9.552 -4.245 287 2HG PRO 41 HG1 PRO 41 2.148 11.051 -4.258 288 1HD PRO 41 HD2 PRO 41 1.460 8.368 -5.380 289 2HD PRO 41 HD1 PRO 41 0.419 9.554 -4.570 290 H SER 42 HN SER 42 4.366 10.483 -8.010 291 HA SER 42 HA SER 42 4.257 10.885 -10.663 292 1HB SER 42 HB2 SER 42 5.757 8.791 -9.107 293 2HB SER 42 HB1 SER 42 5.960 8.954 -10.851 294 HG SER 42 HG SER 42 6.268 11.112 -9.041 295 H ASP 43 HN ASP 43 4.237 7.460 -9.714 296 HA ASP 43 HA ASP 43 1.742 6.794 -10.789 297 1HB ASP 43 HB2 ASP 43 3.907 7.093 -12.749 298 2HB ASP 43 HB1 ASP 43 3.076 5.544 -12.840 299 H TYR 44 HN TYR 44 2.916 5.950 -8.530 300 HA TYR 44 HA TYR 44 3.682 3.180 -9.121 301 1HB TYR 44 HB2 TYR 44 5.022 3.150 -7.133 302 2HB TYR 44 HB1 TYR 44 5.488 4.555 -8.076 303 HD1 TYR 44 HD1 TYR 44 4.604 3.385 -4.876 304 HD2 TYR 44 HD2 TYR 44 4.289 6.795 -7.398 305 HE1 TYR 44 HE1 TYR 44 4.242 4.803 -2.901 306 HE2 TYR 44 HE2 TYR 44 3.926 8.221 -5.430 307 HH TYR 44 HH TYR 44 4.433 8.164 -2.995 308 HA PRO 45 HA PRO 45 -0.345 3.303 -6.713 309 1HB PRO 45 HB2 PRO 45 -1.849 1.927 -8.479 310 2HB PRO 45 HB1 PRO 45 -1.624 3.678 -8.588 311 1HG PRO 45 HG2 PRO 45 -0.235 1.493 -10.096 312 2HG PRO 45 HG1 PRO 45 -0.891 3.024 -10.701 313 1HD PRO 45 HD2 PRO 45 1.744 2.666 -10.181 314 2HD PRO 45 HD1 PRO 45 0.933 4.233 -9.991 315 H LYS 46 HN LYS 46 1.525 0.829 -8.299 316 HA LYS 46 HA LYS 46 0.924 -1.007 -6.132 317 1HB LYS 46 HB2 LYS 46 -0.754 -1.618 -7.742 318 2HB LYS 46 HB1 LYS 46 0.445 -1.677 -9.018 319 1HG LYS 46 HG2 LYS 46 1.535 -3.570 -7.871 320 2HG LYS 46 HG1 LYS 46 0.250 -3.535 -6.663 321 1HD LYS 46 HD2 LYS 46 -1.387 -3.852 -8.545 322 2HD LYS 46 HD1 LYS 46 -0.004 -4.133 -9.605 323 1HE LYS 46 HE2 LYS 46 0.402 -6.183 -8.751 324 2HE LYS 46 HE1 LYS 46 -0.041 -5.703 -7.113 325 1HZ LYS 46 HZ1 LYS 46 -2.240 -6.164 -7.477 326 2HZ LYS 46 HZ2 LYS 46 -1.524 -7.349 -8.447 327 3HZ LYS 46 HZ3 LYS 46 -2.142 -5.941 -9.151 Start of MODEL 14 1 1H LYS 1 HT1 LYS 1 -6.660 1.481 -1.598 2 2H LYS 1 HT2 LYS 1 -6.407 -0.207 -1.431 3 3H LYS 1 HT3 LYS 1 -7.717 0.376 -2.372 4 HA LYS 1 HA LYS 1 -6.009 -0.366 -3.794 5 1HB LYS 1 HB2 LYS 1 -7.258 2.085 -3.834 6 2HB LYS 1 HB1 LYS 1 -5.571 2.523 -4.062 7 1HG LYS 1 HG2 LYS 1 -5.763 0.498 -5.818 8 2HG LYS 1 HG1 LYS 1 -7.420 1.098 -5.856 9 1HD LYS 1 HD2 LYS 1 -6.207 2.249 -7.556 10 2HD LYS 1 HD1 LYS 1 -6.486 3.392 -6.242 11 1HE LYS 1 HE2 LYS 1 -4.225 3.639 -7.008 12 2HE LYS 1 HE1 LYS 1 -4.199 2.908 -5.405 13 1HZ LYS 1 HZ1 LYS 1 -3.405 1.785 -7.967 14 2HZ LYS 1 HZ2 LYS 1 -4.215 0.734 -6.924 15 3HZ LYS 1 HZ3 LYS 1 -2.793 1.494 -6.418 16 H SER 2 HN SER 2 -4.818 2.326 -1.789 17 HA SER 2 HA SER 2 -2.749 2.850 -1.021 18 1HB SER 2 HB2 SER 2 -2.945 0.015 -0.832 19 2HB SER 2 HB1 SER 2 -1.298 0.433 -1.297 20 HG SER 2 HG SER 2 -2.710 1.566 0.886 21 H CYS 3 HN CYS 3 -0.400 2.940 -1.635 22 HA CYS 3 HA CYS 3 -0.123 2.788 -4.566 23 1HB CYS 3 HB2 CYS 3 0.161 5.043 -2.768 24 2HB CYS 3 HB1 CYS 3 1.641 4.768 -3.680 25 H CYS 4 HN CYS 4 1.356 1.375 -5.168 26 HA CYS 4 HA CYS 4 3.860 1.194 -3.660 27 1HB CYS 4 HB2 CYS 4 2.265 -1.211 -4.566 28 2HB CYS 4 HB1 CYS 4 3.859 -1.256 -3.826 29 HA PRO 5 HA PRO 5 5.608 1.290 -7.703 30 1HB PRO 5 HB2 PRO 5 8.063 0.306 -7.247 31 2HB PRO 5 HB1 PRO 5 7.545 1.862 -6.587 32 1HG PRO 5 HG2 PRO 5 7.699 -0.807 -5.244 33 2HG PRO 5 HG1 PRO 5 8.179 0.785 -4.627 34 1HD PRO 5 HD2 PRO 5 5.809 -0.440 -4.004 35 2HD PRO 5 HD1 PRO 5 6.042 1.318 -4.000 36 H ASN 6 HN ASN 6 4.581 -1.562 -6.390 37 HA ASN 6 HA ASN 6 4.353 -2.981 -8.715 38 1HB ASN 6 HB2 ASN 6 7.079 -3.096 -7.678 39 2HB ASN 6 HB1 ASN 6 6.363 -4.696 -7.857 40 1HD2 ASN 6 HD21 ASN 6 8.491 -3.193 -9.341 41 2HD2 ASN 6 HD22 ASN 6 8.024 -3.308 -11.000 42 H THR 7 HN THR 7 3.991 -5.368 -8.359 43 HA THR 7 HA THR 7 2.130 -5.821 -6.389 44 HB THR 7 HB THR 7 2.290 -8.164 -6.913 45 HG1 THR 7 HG1 THR 7 4.204 -8.958 -7.141 46 1HG2 THR 7 HG21 THR 7 3.135 -7.063 -9.528 47 2HG2 THR 7 HG22 THR 7 1.683 -6.400 -8.778 48 3HG2 THR 7 HG23 THR 7 1.787 -8.126 -9.123 49 H THR 8 HN THR 8 5.591 -5.981 -6.158 50 HA THR 8 HA THR 8 5.955 -7.624 -3.961 51 HB THR 8 HB THR 8 7.879 -5.831 -3.493 52 HG1 THR 8 HG1 THR 8 6.819 -4.430 -5.124 53 1HG2 THR 8 HG21 THR 8 7.641 -8.061 -5.353 54 2HG2 THR 8 HG22 THR 8 8.913 -7.672 -4.195 55 3HG2 THR 8 HG23 THR 8 8.899 -6.902 -5.781 56 H GLY 9 HN GLY 9 5.128 -4.171 -4.045 57 1HA GLY 9 HA2 GLY 9 5.063 -4.004 -1.151 58 2HA GLY 9 HA1 GLY 9 4.642 -2.724 -2.284 59 H ARG 10 HN ARG 10 2.760 -4.036 -3.818 60 HA ARG 10 HA ARG 10 0.402 -3.646 -2.397 61 1HB ARG 10 HB2 ARG 10 0.330 -3.564 -4.771 62 2HB ARG 10 HB1 ARG 10 1.039 -5.162 -4.924 63 1HG ARG 10 HG2 ARG 10 -1.019 -5.918 -5.222 64 2HG ARG 10 HG1 ARG 10 -1.294 -5.608 -3.509 65 1HD ARG 10 HD2 ARG 10 -3.036 -4.451 -4.470 66 2HD ARG 10 HD1 ARG 10 -1.818 -3.188 -4.313 67 HE ARG 10 HE ARG 10 -1.871 -2.984 -6.578 68 1HH1 ARG 10 HH11 ARG 10 -2.894 -6.223 -5.765 69 2HH1 ARG 10 HH12 ARG 10 -3.204 -6.671 -7.408 70 1HH2 ARG 10 HH21 ARG 10 -2.280 -3.574 -8.739 71 2HH2 ARG 10 HH22 ARG 10 -2.856 -5.168 -9.096 72 H ASN 11 HN ASN 11 2.416 -6.477 -2.786 73 HA ASN 11 HA ASN 11 0.632 -8.447 -1.911 74 1HB ASN 11 HB2 ASN 11 3.607 -8.176 -2.049 75 2HB ASN 11 HB1 ASN 11 2.912 -9.533 -1.177 76 1HD2 ASN 11 HD21 ASN 11 4.348 -8.980 -3.877 77 2HD2 ASN 11 HD22 ASN 11 3.454 -9.957 -4.986 78 H ILE 12 HN ILE 12 3.173 -6.756 -0.026 79 HA ILE 12 HA ILE 12 2.393 -7.897 2.421 80 HB ILE 12 HB ILE 12 3.851 -5.304 1.908 81 1HG1 ILE 12 HG12 ILE 12 5.704 -6.968 2.907 82 2HG1 ILE 12 HG11 ILE 12 4.649 -8.153 2.142 83 1HG2 ILE 12 HG21 ILE 12 3.205 -6.750 4.449 84 2HG2 ILE 12 HG22 ILE 12 3.093 -5.028 4.083 85 3HG2 ILE 12 HG23 ILE 12 4.672 -5.779 4.318 86 1HD1 ILE 12 HD11 ILE 12 5.017 -6.066 0.296 87 2HD1 ILE 12 HD12 ILE 12 5.619 -7.722 0.211 88 3HD1 ILE 12 HD13 ILE 12 6.600 -6.463 0.961 89 H TYR 13 HN TYR 13 1.559 -4.760 0.965 90 HA TYR 13 HA TYR 13 -0.032 -3.890 3.105 91 1HB TYR 13 HB2 TYR 13 0.881 -2.622 1.011 92 2HB TYR 13 HB1 TYR 13 -0.646 -3.109 0.287 93 HD1 TYR 13 HD1 TYR 13 -2.792 -2.360 1.351 94 HD2 TYR 13 HD2 TYR 13 0.991 -0.841 2.564 95 HE1 TYR 13 HE1 TYR 13 -3.910 -0.461 2.444 96 HE2 TYR 13 HE2 TYR 13 -0.114 1.060 3.659 97 HH TYR 13 HH TYR 13 -2.261 1.669 4.562 98 H ASN 14 HN ASN 14 -0.788 -5.826 0.248 99 HA ASN 14 HA ASN 14 -3.589 -5.860 0.670 100 1HB ASN 14 HB2 ASN 14 -1.675 -7.398 -1.033 101 2HB ASN 14 HB1 ASN 14 -3.313 -7.990 -0.836 102 1HD2 ASN 14 HD21 ASN 14 -1.997 -4.710 -1.125 103 2HD2 ASN 14 HD22 ASN 14 -2.951 -4.264 -2.493 104 H THR 15 HN THR 15 -1.071 -8.362 1.240 105 HA THR 15 HA THR 15 -2.825 -10.159 2.523 106 HB THR 15 HB THR 15 0.033 -10.061 3.340 107 HG1 THR 15 HG1 THR 15 0.742 -10.198 1.386 108 1HG2 THR 15 HG21 THR 15 -0.064 -12.460 2.978 109 2HG2 THR 15 HG22 THR 15 -1.725 -12.309 2.404 110 3HG2 THR 15 HG23 THR 15 -1.334 -11.925 4.079 111 H CYS 16 HN CYS 16 -0.853 -7.500 3.709 112 HA CYS 16 HA CYS 16 -1.101 -7.924 6.457 113 1HB CYS 16 HB2 CYS 16 0.436 -6.272 5.763 114 2HB CYS 16 HB1 CYS 16 -0.764 -5.443 4.784 115 H ARG 17 HN ARG 17 -3.047 -5.744 4.389 116 HA ARG 17 HA ARG 17 -4.990 -5.115 6.290 117 1HB ARG 17 HB2 ARG 17 -4.698 -4.911 3.391 118 2HB ARG 17 HB1 ARG 17 -6.367 -5.177 3.877 119 1HG ARG 17 HG2 ARG 17 -5.630 -3.244 5.624 120 2HG ARG 17 HG1 ARG 17 -4.652 -2.823 4.217 121 1HD ARG 17 HD2 ARG 17 -6.838 -1.693 4.209 122 2HD ARG 17 HD1 ARG 17 -6.627 -2.759 2.821 123 HE ARG 17 HE ARG 17 -8.367 -4.037 3.582 124 1HH1 ARG 17 HH11 ARG 17 -7.294 -1.943 6.160 125 2HH1 ARG 17 HH12 ARG 17 -8.610 -2.351 7.207 126 1HH2 ARG 17 HH21 ARG 17 -10.100 -4.575 4.958 127 2HH2 ARG 17 HH22 ARG 17 -10.203 -3.845 6.526 128 H LEU 18 HN LEU 18 -4.606 -7.860 4.173 129 HA LEU 18 HA LEU 18 -7.103 -9.062 4.420 130 1HB LEU 18 HB2 LEU 18 -4.443 -9.775 3.524 131 2HB LEU 18 HB1 LEU 18 -5.234 -11.137 4.291 132 HG LEU 18 HG LEU 18 -6.250 -9.549 1.938 133 1HD1 LEU 18 HD11 LEU 18 -4.523 -11.021 1.242 134 2HD1 LEU 18 HD12 LEU 18 -6.053 -11.788 0.814 135 3HD1 LEU 18 HD13 LEU 18 -5.156 -12.337 2.230 136 1HD2 LEU 18 HD21 LEU 18 -7.901 -11.629 2.016 137 2HD2 LEU 18 HD22 LEU 18 -8.245 -10.124 2.868 138 3HD2 LEU 18 HD23 LEU 18 -7.570 -11.498 3.743 139 H GLY 19 HN GLY 19 -4.568 -8.711 6.710 140 1HA GLY 19 HA2 GLY 19 -5.629 -10.839 8.413 141 2HA GLY 19 HA1 GLY 19 -4.132 -9.959 8.675 142 H GLY 20 HN GLY 20 -6.457 -7.749 7.837 143 1HA GLY 20 HA2 GLY 20 -7.707 -6.227 9.002 144 2HA GLY 20 HA1 GLY 20 -7.940 -7.473 10.216 145 H GLY 21 HN GLY 21 -4.992 -5.768 9.118 146 1HA GLY 21 HA2 GLY 21 -4.537 -5.046 11.930 147 2HA GLY 21 HA1 GLY 21 -3.267 -5.296 10.738 148 H SER 22 HN SER 22 -2.571 -3.198 11.529 149 HA SER 22 HA SER 22 -4.102 -0.854 11.005 150 1HB SER 22 HB2 SER 22 -1.261 -0.340 11.086 151 2HB SER 22 HB1 SER 22 -2.525 0.166 12.203 152 HG SER 22 HG SER 22 -0.989 -2.203 12.231 153 H ARG 23 HN ARG 23 -3.771 0.727 9.466 154 HA ARG 23 HA ARG 23 -3.237 -0.250 6.842 155 1HB ARG 23 HB2 ARG 23 -4.419 2.092 8.027 156 2HB ARG 23 HB1 ARG 23 -3.292 2.562 6.762 157 1HG ARG 23 HG2 ARG 23 -4.520 1.561 5.104 158 2HG ARG 23 HG1 ARG 23 -5.267 0.405 6.207 159 1HD ARG 23 HD2 ARG 23 -7.055 1.763 5.971 160 2HD ARG 23 HD1 ARG 23 -6.234 2.696 7.223 161 HE ARG 23 HE ARG 23 -5.242 3.640 4.843 162 1HH1 ARG 23 HH11 ARG 23 -8.401 3.360 6.301 163 2HH1 ARG 23 HH12 ARG 23 -9.036 4.751 5.488 164 1HH2 ARG 23 HH21 ARG 23 -6.076 5.470 3.774 165 2HH2 ARG 23 HH22 ARG 23 -7.716 5.949 4.054 166 H GLU 24 HN GLU 24 -1.628 1.967 9.034 167 HA GLU 24 HA GLU 24 0.536 2.574 7.296 168 1HB GLU 24 HB2 GLU 24 0.757 2.826 10.266 169 2HB GLU 24 HB1 GLU 24 1.349 3.903 9.008 170 1HG GLU 24 HG2 GLU 24 -1.141 4.331 8.510 171 2HG GLU 24 HG1 GLU 24 -1.419 3.631 10.104 172 H ARG 25 HN ARG 25 -0.039 0.049 9.635 173 HA ARG 25 HA ARG 25 2.555 -0.748 10.206 174 1HB ARG 25 HB2 ARG 25 -0.082 -1.834 10.488 175 2HB ARG 25 HB1 ARG 25 0.999 -3.101 9.927 176 1HG ARG 25 HG2 ARG 25 1.393 -1.384 12.369 177 2HG ARG 25 HG1 ARG 25 0.879 -3.072 12.347 178 1HD ARG 25 HD2 ARG 25 2.965 -3.839 11.947 179 2HD ARG 25 HD1 ARG 25 3.381 -2.476 10.910 180 HE ARG 25 HE ARG 25 4.384 -1.518 12.711 181 1HH1 ARG 25 HH11 ARG 25 1.970 -3.749 13.883 182 2HH1 ARG 25 HH12 ARG 25 2.368 -3.497 15.550 183 1HH2 ARG 25 HH21 ARG 25 4.909 -1.187 14.902 184 2HH2 ARG 25 HH22 ARG 25 4.036 -2.042 16.129 185 H CYS 26 HN CYS 26 0.492 -1.671 7.486 186 HA CYS 26 HA CYS 26 2.397 -3.444 6.329 187 1HB CYS 26 HB2 CYS 26 0.499 -2.284 4.430 188 2HB CYS 26 HB1 CYS 26 0.790 -3.964 4.850 189 H ALA 27 HN ALA 27 1.553 -0.058 5.780 190 HA ALA 27 HA ALA 27 3.191 0.328 3.521 191 1HB ALA 27 HB1 ALA 27 1.347 1.841 4.779 192 2HB ALA 27 HB2 ALA 27 2.492 2.473 3.595 193 3HB ALA 27 HB3 ALA 27 2.826 2.634 5.319 194 H SER 28 HN SER 28 3.817 0.650 6.981 195 HA SER 28 HA SER 28 6.423 1.732 6.692 196 1HB SER 28 HB2 SER 28 6.667 1.322 9.069 197 2HB SER 28 HB1 SER 28 5.043 1.937 8.763 198 HG SER 28 HG SER 28 5.856 -0.692 9.377 199 H LEU 29 HN LEU 29 5.138 -1.524 7.077 200 HA LEU 29 HA LEU 29 7.658 -2.815 7.336 201 1HB LEU 29 HB2 LEU 29 5.041 -3.561 7.658 202 2HB LEU 29 HB1 LEU 29 5.475 -4.398 6.180 203 HG LEU 29 HG LEU 29 7.338 -4.643 8.484 204 1HD1 LEU 29 HD11 LEU 29 4.584 -5.820 8.372 205 2HD1 LEU 29 HD12 LEU 29 5.403 -5.034 9.722 206 3HD1 LEU 29 HD13 LEU 29 5.902 -6.645 9.206 207 1HD2 LEU 29 HD21 LEU 29 8.018 -5.753 6.529 208 2HD2 LEU 29 HD22 LEU 29 6.398 -6.375 6.217 209 3HD2 LEU 29 HD23 LEU 29 7.344 -7.015 7.560 210 H SER 30 HN SER 30 5.367 -2.620 4.609 211 HA SER 30 HA SER 30 7.198 -3.806 2.770 212 1HB SER 30 HB2 SER 30 4.515 -3.486 2.756 213 2HB SER 30 HB1 SER 30 4.986 -2.157 1.698 214 HG SER 30 HG SER 30 6.252 -3.778 0.537 215 H GLY 31 HN GLY 31 6.044 -0.490 3.307 216 1HA GLY 31 HA2 GLY 31 7.571 1.367 3.174 217 2HA GLY 31 HA1 GLY 31 8.490 0.471 1.972 218 H CYS 32 HN CYS 32 5.008 0.656 1.923 219 HA CYS 32 HA CYS 32 5.112 1.903 -0.694 220 1HB CYS 32 HB2 CYS 32 2.932 0.606 0.932 221 2HB CYS 32 HB1 CYS 32 2.600 1.451 -0.570 222 H LYS 33 HN LYS 33 3.035 3.382 -1.038 223 HA LYS 33 HA LYS 33 3.096 5.451 1.058 224 1HB LYS 33 HB2 LYS 33 3.852 5.647 -1.663 225 2HB LYS 33 HB1 LYS 33 2.345 6.535 -1.492 226 1HG LYS 33 HG2 LYS 33 4.878 6.969 0.073 227 2HG LYS 33 HG1 LYS 33 4.206 8.023 -1.170 228 1HD LYS 33 HD2 LYS 33 3.274 9.120 0.552 229 2HD LYS 33 HD1 LYS 33 2.105 7.797 0.553 230 1HE LYS 33 HE2 LYS 33 2.902 6.928 2.469 231 2HE LYS 33 HE1 LYS 33 4.579 7.256 2.037 232 1HZ LYS 33 HZ1 LYS 33 3.802 8.536 3.974 233 2HZ LYS 33 HZ2 LYS 33 2.661 9.310 2.994 234 3HZ LYS 33 HZ3 LYS 33 4.313 9.530 2.702 235 H ILE 34 HN ILE 34 1.164 6.361 1.672 236 HA ILE 34 HA ILE 34 -1.208 4.908 0.832 237 HB ILE 34 HB ILE 34 -0.544 5.467 3.279 238 1HG1 ILE 34 HG12 ILE 34 -2.926 5.516 3.921 239 2HG1 ILE 34 HG11 ILE 34 -3.356 5.913 2.260 240 1HG2 ILE 34 HG21 ILE 34 -2.084 7.980 2.690 241 2HG2 ILE 34 HG22 ILE 34 -0.323 7.930 2.759 242 3HG2 ILE 34 HG23 ILE 34 -1.272 7.519 4.187 243 1HD1 ILE 34 HD11 ILE 34 -3.561 3.479 3.045 244 2HD1 ILE 34 HD12 ILE 34 -1.805 3.436 2.887 245 3HD1 ILE 34 HD13 ILE 34 -2.809 3.800 1.483 246 H ILE 35 HN ILE 35 -2.746 5.688 -0.456 247 HA ILE 35 HA ILE 35 -2.577 8.516 -1.248 248 HB ILE 35 HB ILE 35 -4.096 7.493 -3.197 249 1HG1 ILE 35 HG12 ILE 35 -2.169 5.234 -2.706 250 2HG1 ILE 35 HG11 ILE 35 -3.813 5.191 -2.075 251 1HG2 ILE 35 HG21 ILE 35 -1.091 7.458 -3.047 252 2HG2 ILE 35 HG22 ILE 35 -2.121 8.779 -3.595 253 3HG2 ILE 35 HG23 ILE 35 -2.013 7.295 -4.540 254 1HD1 ILE 35 HD11 ILE 35 -3.965 5.890 -4.809 255 2HD1 ILE 35 HD12 ILE 35 -4.519 4.416 -4.016 256 3HD1 ILE 35 HD13 ILE 35 -2.881 4.507 -4.662 257 H SER 36 HN SER 36 -4.887 9.090 -2.331 258 HA SER 36 HA SER 36 -7.118 8.123 -0.790 259 1HB SER 36 HB2 SER 36 -7.707 10.338 0.149 260 2HB SER 36 HB1 SER 36 -6.185 9.723 0.795 261 HG SER 36 HG SER 36 -5.137 11.294 -0.158 262 H ALA 37 HN ALA 37 -5.899 10.577 -2.978 263 HA ALA 37 HA ALA 37 -8.400 11.251 -4.125 264 1HB ALA 37 HB1 ALA 37 -5.558 11.797 -4.748 265 2HB ALA 37 HB2 ALA 37 -6.916 12.910 -4.566 266 3HB ALA 37 HB3 ALA 37 -6.723 11.989 -6.058 267 H SER 38 HN SER 38 -5.741 9.848 -5.981 268 HA SER 38 HA SER 38 -7.011 7.454 -6.703 269 1HB SER 38 HB2 SER 38 -7.884 9.811 -8.170 270 2HB SER 38 HB1 SER 38 -7.196 8.589 -9.239 271 HG SER 38 HG SER 38 -9.132 7.976 -7.268 272 H THR 39 HN THR 39 -5.198 9.977 -8.460 273 HA THR 39 HA THR 39 -3.371 8.070 -9.562 274 HB THR 39 HB THR 39 -3.822 10.006 -10.872 275 HG1 THR 39 HG1 THR 39 -1.259 10.424 -9.745 276 1HG2 THR 39 HG21 THR 39 -4.446 11.853 -9.794 277 2HG2 THR 39 HG22 THR 39 -2.720 12.215 -9.737 278 3HG2 THR 39 HG23 THR 39 -3.507 11.450 -8.357 279 H CYS 40 HN CYS 40 -1.333 7.548 -8.932 280 HA CYS 40 HA CYS 40 -0.617 7.840 -6.233 281 1HB CYS 40 HB2 CYS 40 0.167 6.175 -8.187 282 2HB CYS 40 HB1 CYS 40 1.533 7.286 -8.202 283 HA PRO 41 HA PRO 41 1.136 11.916 -6.135 284 1HB PRO 41 HB2 PRO 41 2.875 11.506 -4.030 285 2HB PRO 41 HB1 PRO 41 1.160 11.886 -3.855 286 1HG PRO 41 HG2 PRO 41 2.539 9.237 -3.721 287 2HG PRO 41 HG1 PRO 41 1.213 9.865 -2.724 288 1HD PRO 41 HD2 PRO 41 0.770 8.112 -4.706 289 2HD PRO 41 HD1 PRO 41 -0.383 9.412 -4.341 290 H SER 42 HN SER 42 3.564 9.402 -5.395 291 HA SER 42 HA SER 42 5.669 10.831 -6.664 292 1HB SER 42 HB2 SER 42 6.496 8.175 -6.512 293 2HB SER 42 HB1 SER 42 6.770 9.426 -5.299 294 HG SER 42 HG SER 42 5.181 8.637 -4.097 295 H ASP 43 HN ASP 43 4.945 7.481 -7.541 296 HA ASP 43 HA ASP 43 3.953 7.914 -10.113 297 1HB ASP 43 HB2 ASP 43 6.189 8.968 -10.470 298 2HB ASP 43 HB1 ASP 43 6.937 7.417 -10.105 299 H TYR 44 HN TYR 44 3.613 6.086 -7.938 300 HA TYR 44 HA TYR 44 4.517 3.558 -9.117 301 1HB TYR 44 HB2 TYR 44 3.231 3.584 -6.439 302 2HB TYR 44 HB1 TYR 44 4.550 2.602 -7.041 303 HD1 TYR 44 HD1 TYR 44 6.421 4.738 -7.960 304 HD2 TYR 44 HD2 TYR 44 4.076 4.413 -4.425 305 HE1 TYR 44 HE1 TYR 44 8.038 6.153 -6.764 306 HE2 TYR 44 HE2 TYR 44 5.684 5.828 -3.220 307 HH TYR 44 HH TYR 44 7.995 7.684 -4.731 308 HA PRO 45 HA PRO 45 0.424 2.596 -10.436 309 1HB PRO 45 HB2 PRO 45 0.492 -0.132 -10.270 310 2HB PRO 45 HB1 PRO 45 1.242 0.793 -11.573 311 1HG PRO 45 HG2 PRO 45 2.491 -0.434 -9.158 312 2HG PRO 45 HG1 PRO 45 3.113 -0.323 -10.811 313 1HD PRO 45 HD2 PRO 45 3.941 1.306 -8.799 314 2HD PRO 45 HD1 PRO 45 3.914 1.803 -10.502 315 H LYS 46 HN LYS 46 0.920 -0.092 -8.202 316 HA LYS 46 HA LYS 46 -0.883 1.052 -6.244 317 1HB LYS 46 HB2 LYS 46 -2.387 0.003 -7.875 318 2HB LYS 46 HB1 LYS 46 -1.532 -1.511 -7.660 319 1HG LYS 46 HG2 LYS 46 -2.220 -1.577 -5.313 320 2HG LYS 46 HG1 LYS 46 -3.094 -0.064 -5.529 321 1HD LYS 46 HD2 LYS 46 -4.730 -1.047 -6.848 322 2HD LYS 46 HD1 LYS 46 -3.686 -2.392 -7.309 323 1HE LYS 46 HE2 LYS 46 -4.430 -3.631 -5.620 324 2HE LYS 46 HE1 LYS 46 -4.082 -2.351 -4.458 325 1HZ LYS 46 HZ1 LYS 46 -6.587 -3.077 -5.717 326 2HZ LYS 46 HZ2 LYS 46 -6.294 -1.414 -5.625 327 3HZ LYS 46 HZ3 LYS 46 -6.299 -2.350 -4.217 Start of MODEL 15 1 1H LYS 1 HT1 LYS 1 -7.794 5.266 -3.543 2 2H LYS 1 HT2 LYS 1 -6.273 5.756 -2.914 3 3H LYS 1 HT3 LYS 1 -7.022 4.323 -2.337 4 HA LYS 1 HA LYS 1 -6.864 3.399 -4.573 5 1HB LYS 1 HB2 LYS 1 -6.283 6.063 -5.182 6 2HB LYS 1 HB1 LYS 1 -4.756 5.219 -5.393 7 1HG LYS 1 HG2 LYS 1 -7.199 4.028 -6.597 8 2HG LYS 1 HG1 LYS 1 -6.489 5.452 -7.360 9 1HD LYS 1 HD2 LYS 1 -5.612 3.396 -8.346 10 2HD LYS 1 HD1 LYS 1 -4.338 4.298 -7.522 11 1HE LYS 1 HE2 LYS 1 -4.086 2.728 -5.897 12 2HE LYS 1 HE1 LYS 1 -5.787 2.261 -5.934 13 1HZ LYS 1 HZ1 LYS 1 -3.552 1.277 -7.539 14 2HZ LYS 1 HZ2 LYS 1 -5.061 1.371 -8.296 15 3HZ LYS 1 HZ3 LYS 1 -4.875 0.438 -6.898 16 H SER 2 HN SER 2 -4.277 5.267 -3.004 17 HA SER 2 HA SER 2 -2.458 4.581 -1.810 18 1HB SER 2 HB2 SER 2 -2.223 2.403 -1.017 19 2HB SER 2 HB1 SER 2 -3.963 2.510 -1.283 20 HG SER 2 HG SER 2 -3.640 0.793 -2.454 21 H CYS 3 HN CYS 3 -0.280 3.600 -2.243 22 HA CYS 3 HA CYS 3 0.207 3.040 -5.075 23 1HB CYS 3 HB2 CYS 3 0.674 5.581 -3.889 24 2HB CYS 3 HB1 CYS 3 2.243 4.848 -4.198 25 H CYS 4 HN CYS 4 1.884 1.678 -5.444 26 HA CYS 4 HA CYS 4 3.728 1.078 -3.242 27 1HB CYS 4 HB2 CYS 4 1.752 -0.743 -4.443 28 2HB CYS 4 HB1 CYS 4 3.381 -1.400 -4.364 29 HA PRO 5 HA PRO 5 6.585 1.852 -6.622 30 1HB PRO 5 HB2 PRO 5 8.694 0.527 -5.305 31 2HB PRO 5 HB1 PRO 5 8.353 2.258 -5.275 32 1HG PRO 5 HG2 PRO 5 7.658 0.154 -3.291 33 2HG PRO 5 HG1 PRO 5 8.076 1.857 -3.029 34 1HD PRO 5 HD2 PRO 5 5.553 0.997 -2.827 35 2HD PRO 5 HD1 PRO 5 5.927 2.588 -3.522 36 H ASN 6 HN ASN 6 5.821 -1.263 -5.223 37 HA ASN 6 HA ASN 6 6.029 -2.518 -7.783 38 1HB ASN 6 HB2 ASN 6 8.187 -2.909 -5.761 39 2HB ASN 6 HB1 ASN 6 7.662 -4.307 -6.693 40 1HD2 ASN 6 HD21 ASN 6 9.743 -1.738 -6.606 41 2HD2 ASN 6 HD22 ASN 6 10.181 -1.678 -8.277 42 H THR 7 HN THR 7 5.314 -4.759 -7.745 43 HA THR 7 HA THR 7 3.067 -5.170 -6.169 44 HB THR 7 HB THR 7 3.167 -6.417 -8.149 45 HG1 THR 7 HG1 THR 7 2.366 -8.076 -7.186 46 1HG2 THR 7 HG21 THR 7 4.989 -8.237 -8.388 47 2HG2 THR 7 HG22 THR 7 5.904 -7.217 -7.276 48 3HG2 THR 7 HG23 THR 7 5.361 -6.569 -8.825 49 H THR 8 HN THR 8 6.408 -5.897 -5.536 50 HA THR 8 HA THR 8 6.168 -7.827 -3.545 51 HB THR 8 HB THR 8 8.308 -6.495 -2.649 52 HG1 THR 8 HG1 THR 8 7.747 -4.765 -4.209 53 1HG2 THR 8 HG21 THR 8 8.364 -8.724 -3.679 54 2HG2 THR 8 HG22 THR 8 9.708 -7.703 -4.188 55 3HG2 THR 8 HG23 THR 8 8.342 -7.967 -5.271 56 H GLY 9 HN GLY 9 5.518 -4.413 -3.475 57 1HA GLY 9 HA2 GLY 9 5.278 -4.413 -0.558 58 2HA GLY 9 HA1 GLY 9 5.173 -3.005 -1.608 59 H ARG 10 HN ARG 10 3.333 -3.928 -3.464 60 HA ARG 10 HA ARG 10 0.892 -3.310 -2.276 61 1HB ARG 10 HB2 ARG 10 0.866 -3.029 -4.572 62 2HB ARG 10 HB1 ARG 10 1.741 -4.520 -4.872 63 1HG ARG 10 HG2 ARG 10 -0.286 -5.122 -5.677 64 2HG ARG 10 HG1 ARG 10 -0.525 -5.594 -3.997 65 1HD ARG 10 HD2 ARG 10 -2.363 -4.327 -4.089 66 2HD ARG 10 HD1 ARG 10 -1.261 -2.956 -3.977 67 HE ARG 10 HE ARG 10 -1.911 -2.398 -6.083 68 1HH1 ARG 10 HH11 ARG 10 -2.331 -5.843 -5.713 69 2HH1 ARG 10 HH12 ARG 10 -2.981 -6.059 -7.303 70 1HH2 ARG 10 HH21 ARG 10 -2.767 -2.681 -8.172 71 2HH2 ARG 10 HH22 ARG 10 -3.229 -4.266 -8.699 72 H ASN 11 HN ASN 11 2.521 -6.377 -2.682 73 HA ASN 11 HA ASN 11 0.354 -8.070 -2.097 74 1HB ASN 11 HB2 ASN 11 3.343 -8.385 -1.885 75 2HB ASN 11 HB1 ASN 11 2.229 -9.681 -1.502 76 1HD2 ASN 11 HD21 ASN 11 4.276 -9.064 -3.696 77 2HD2 ASN 11 HD22 ASN 11 3.441 -9.482 -5.149 78 H ILE 12 HN ILE 12 3.070 -7.083 0.023 79 HA ILE 12 HA ILE 12 2.008 -8.231 2.332 80 HB ILE 12 HB ILE 12 3.907 -5.915 1.998 81 1HG1 ILE 12 HG12 ILE 12 5.274 -7.916 3.224 82 2HG1 ILE 12 HG11 ILE 12 4.118 -8.849 2.277 83 1HG2 ILE 12 HG21 ILE 12 4.439 -6.338 4.448 84 2HG2 ILE 12 HG22 ILE 12 2.894 -7.183 4.527 85 3HG2 ILE 12 HG23 ILE 12 2.943 -5.472 4.099 86 1HD1 ILE 12 HD11 ILE 12 6.382 -8.321 1.235 87 2HD1 ILE 12 HD12 ILE 12 5.762 -6.682 1.034 88 3HD1 ILE 12 HD13 ILE 12 4.941 -8.036 0.259 89 H TYR 13 HN TYR 13 1.646 -4.907 1.130 90 HA TYR 13 HA TYR 13 0.129 -3.964 3.289 91 1HB TYR 13 HB2 TYR 13 1.122 -2.506 1.576 92 2HB TYR 13 HB1 TYR 13 -0.010 -3.137 0.386 93 HD1 TYR 13 HD1 TYR 13 0.450 -0.859 3.186 94 HD2 TYR 13 HD2 TYR 13 -2.397 -2.551 0.515 95 HE1 TYR 13 HE1 TYR 13 -1.152 0.906 3.785 96 HE2 TYR 13 HE2 TYR 13 -4.006 -0.789 1.107 97 HH TYR 13 HH TYR 13 -3.649 1.775 2.084 98 H ASN 14 HN ASN 14 -0.861 -5.469 0.244 99 HA ASN 14 HA ASN 14 -3.627 -5.294 0.679 100 1HB ASN 14 HB2 ASN 14 -1.854 -6.870 -1.134 101 2HB ASN 14 HB1 ASN 14 -3.555 -7.288 -1.021 102 1HD2 ASN 14 HD21 ASN 14 -1.743 -4.228 -1.073 103 2HD2 ASN 14 HD22 ASN 14 -2.653 -3.517 -2.357 104 H THR 15 HN THR 15 -1.459 -8.170 1.015 105 HA THR 15 HA THR 15 -3.492 -9.763 2.150 106 HB THR 15 HB THR 15 -1.672 -10.971 1.329 107 HG1 THR 15 HG1 THR 15 -1.204 -10.958 4.120 108 1HG2 THR 15 HG21 THR 15 0.343 -10.071 1.193 109 2HG2 THR 15 HG22 THR 15 0.556 -10.429 2.907 110 3HG2 THR 15 HG23 THR 15 -0.057 -8.854 2.405 111 H CYS 16 HN CYS 16 -1.067 -7.660 3.600 112 HA CYS 16 HA CYS 16 -1.383 -8.258 6.277 113 1HB CYS 16 HB2 CYS 16 0.293 -6.693 5.744 114 2HB CYS 16 HB1 CYS 16 -0.811 -5.695 4.810 115 H ARG 17 HN ARG 17 -3.175 -5.852 4.357 116 HA ARG 17 HA ARG 17 -5.044 -5.177 6.340 117 1HB ARG 17 HB2 ARG 17 -4.724 -4.769 3.459 118 2HB ARG 17 HB1 ARG 17 -6.406 -4.863 3.959 119 1HG ARG 17 HG2 ARG 17 -5.441 -3.182 5.833 120 2HG ARG 17 HG1 ARG 17 -4.390 -2.786 4.471 121 1HD ARG 17 HD2 ARG 17 -6.450 -1.397 4.592 122 2HD ARG 17 HD1 ARG 17 -6.277 -2.288 3.080 123 HE ARG 17 HE ARG 17 -8.187 -3.437 3.584 124 1HH1 ARG 17 HH11 ARG 17 -6.995 -1.922 6.494 125 2HH1 ARG 17 HH12 ARG 17 -8.388 -2.342 7.432 126 1HH2 ARG 17 HH21 ARG 17 -10.020 -3.989 4.817 127 2HH2 ARG 17 HH22 ARG 17 -10.105 -3.517 6.482 128 H LEU 18 HN LEU 18 -4.931 -7.766 3.970 129 HA LEU 18 HA LEU 18 -7.580 -8.652 4.204 130 1HB LEU 18 HB2 LEU 18 -6.919 -10.139 2.656 131 2HB LEU 18 HB1 LEU 18 -5.361 -9.352 2.723 132 HG LEU 18 HG LEU 18 -4.754 -11.015 4.536 133 1HD1 LEU 18 HD11 LEU 18 -6.430 -12.268 5.313 134 2HD1 LEU 18 HD12 LEU 18 -6.309 -13.178 3.808 135 3HD1 LEU 18 HD13 LEU 18 -7.472 -11.860 3.951 136 1HD2 LEU 18 HD21 LEU 18 -5.021 -12.828 2.374 137 2HD2 LEU 18 HD22 LEU 18 -3.607 -11.892 2.850 138 3HD2 LEU 18 HD23 LEU 18 -4.759 -11.220 1.699 139 H GLY 19 HN GLY 19 -4.897 -8.919 6.329 140 1HA GLY 19 HA2 GLY 19 -6.296 -10.973 7.899 141 2HA GLY 19 HA1 GLY 19 -4.581 -10.614 8.017 142 H GLY 20 HN GLY 20 -6.764 -7.947 7.791 143 1HA GLY 20 HA2 GLY 20 -7.454 -6.387 9.332 144 2HA GLY 20 HA1 GLY 20 -7.306 -7.637 10.556 145 H GLY 21 HN GLY 21 -5.118 -5.762 8.470 146 1HA GLY 21 HA2 GLY 21 -3.508 -5.169 10.862 147 2HA GLY 21 HA1 GLY 21 -2.774 -5.578 9.316 148 H SER 22 HN SER 22 -3.365 -3.108 11.271 149 HA SER 22 HA SER 22 -4.548 -1.025 10.047 150 1HB SER 22 HB2 SER 22 -1.903 -0.233 11.026 151 2HB SER 22 HB1 SER 22 -3.506 0.255 11.576 152 HG SER 22 HG SER 22 -3.198 -1.032 13.193 153 H ARG 23 HN ARG 23 -3.874 0.704 8.694 154 HA ARG 23 HA ARG 23 -2.657 -0.145 6.311 155 1HB ARG 23 HB2 ARG 23 -3.880 2.289 7.371 156 2HB ARG 23 HB1 ARG 23 -2.609 2.597 6.204 157 1HG ARG 23 HG2 ARG 23 -4.261 2.388 4.705 158 2HG ARG 23 HG1 ARG 23 -3.998 0.658 4.930 159 1HD ARG 23 HD2 ARG 23 -6.346 1.099 5.114 160 2HD ARG 23 HD1 ARG 23 -5.728 0.684 6.712 161 HE ARG 23 HE ARG 23 -5.601 3.401 6.641 162 1HH1 ARG 23 HH11 ARG 23 -8.142 1.071 6.097 163 2HH1 ARG 23 HH12 ARG 23 -9.399 2.128 6.644 164 1HH2 ARG 23 HH21 ARG 23 -7.254 4.793 7.361 165 2HH2 ARG 23 HH22 ARG 23 -8.896 4.242 7.361 166 H GLU 24 HN GLU 24 -1.523 1.743 9.027 167 HA GLU 24 HA GLU 24 0.984 2.432 7.875 168 1HB GLU 24 HB2 GLU 24 0.597 2.314 10.836 169 2HB GLU 24 HB1 GLU 24 1.442 3.514 9.865 170 1HG GLU 24 HG2 GLU 24 -0.892 4.105 8.959 171 2HG GLU 24 HG1 GLU 24 -1.492 3.220 10.361 172 H ARG 25 HN ARG 25 -0.126 -0.256 9.860 173 HA ARG 25 HA ARG 25 2.338 -1.262 10.677 174 1HB ARG 25 HB2 ARG 25 0.034 -2.061 11.371 175 2HB ARG 25 HB1 ARG 25 -0.021 -2.960 9.862 176 1HG ARG 25 HG2 ARG 25 1.715 -4.388 10.515 177 2HG ARG 25 HG1 ARG 25 2.209 -3.322 11.831 178 1HD ARG 25 HD2 ARG 25 0.544 -4.033 13.219 179 2HD ARG 25 HD1 ARG 25 -0.557 -4.389 11.890 180 HE ARG 25 HE ARG 25 1.708 -6.148 11.999 181 1HH1 ARG 25 HH11 ARG 25 -1.509 -5.563 13.216 182 2HH1 ARG 25 HH12 ARG 25 -1.800 -7.225 13.604 183 1HH2 ARG 25 HH21 ARG 25 1.326 -8.336 12.508 184 2HH2 ARG 25 HH22 ARG 25 -0.190 -8.799 13.203 185 H CYS 26 HN CYS 26 0.462 -2.064 7.777 186 HA CYS 26 HA CYS 26 2.499 -3.724 6.669 187 1HB CYS 26 HB2 CYS 26 0.684 -2.602 4.683 188 2HB CYS 26 HB1 CYS 26 0.969 -4.276 5.122 189 H ALA 27 HN ALA 27 1.570 -0.354 6.306 190 HA ALA 27 HA ALA 27 3.146 0.310 4.101 191 1HB ALA 27 HB1 ALA 27 2.544 2.120 6.434 192 2HB ALA 27 HB2 ALA 27 1.395 1.749 5.148 193 3HB ALA 27 HB3 ALA 27 2.897 2.592 4.771 194 H SER 28 HN SER 28 3.961 0.180 7.540 195 HA SER 28 HA SER 28 6.570 1.253 7.244 196 1HB SER 28 HB2 SER 28 5.326 1.214 9.400 197 2HB SER 28 HB1 SER 28 5.521 -0.537 9.448 198 HG SER 28 HG SER 28 7.229 0.129 10.568 199 H LEU 29 HN LEU 29 5.227 -1.988 7.169 200 HA LEU 29 HA LEU 29 7.710 -3.368 7.193 201 1HB LEU 29 HB2 LEU 29 5.087 -4.091 7.436 202 2HB LEU 29 HB1 LEU 29 5.460 -4.675 5.826 203 HG LEU 29 HG LEU 29 7.594 -5.633 7.201 204 1HD1 LEU 29 HD11 LEU 29 6.909 -6.493 9.317 205 2HD1 LEU 29 HD12 LEU 29 5.268 -5.888 9.096 206 3HD1 LEU 29 HD13 LEU 29 6.602 -4.757 9.320 207 1HD2 LEU 29 HD21 LEU 29 4.892 -6.856 6.696 208 2HD2 LEU 29 HD22 LEU 29 6.266 -7.783 7.299 209 3HD2 LEU 29 HD23 LEU 29 6.356 -6.999 5.722 210 H SER 30 HN SER 30 5.400 -2.729 4.551 211 HA SER 30 HA SER 30 7.225 -3.624 2.540 212 1HB SER 30 HB2 SER 30 5.515 -3.171 0.988 213 2HB SER 30 HB1 SER 30 4.652 -3.638 2.453 214 HG SER 30 HG SER 30 4.040 -1.590 2.771 215 H GLY 31 HN GLY 31 6.010 -0.433 3.538 216 1HA GLY 31 HA2 GLY 31 7.298 1.542 3.563 217 2HA GLY 31 HA1 GLY 31 8.468 0.765 2.504 218 H CYS 32 HN CYS 32 5.093 0.571 1.772 219 HA CYS 32 HA CYS 32 5.486 1.882 -0.752 220 1HB CYS 32 HB2 CYS 32 3.176 0.534 0.618 221 2HB CYS 32 HB1 CYS 32 2.930 1.441 -0.865 222 H LYS 33 HN LYS 33 3.204 3.256 -1.253 223 HA LYS 33 HA LYS 33 3.406 5.523 0.606 224 1HB LYS 33 HB2 LYS 33 3.765 5.403 -2.164 225 2HB LYS 33 HB1 LYS 33 2.195 6.159 -1.947 226 1HG LYS 33 HG2 LYS 33 4.866 7.093 -0.952 227 2HG LYS 33 HG1 LYS 33 3.750 7.915 -2.043 228 1HD LYS 33 HD2 LYS 33 3.363 7.408 0.906 229 2HD LYS 33 HD1 LYS 33 3.666 8.961 0.129 230 1HE LYS 33 HE2 LYS 33 1.363 7.590 -0.996 231 2HE LYS 33 HE1 LYS 33 1.195 7.875 0.734 232 1HZ LYS 33 HZ1 LYS 33 0.549 9.909 0.155 233 2HZ LYS 33 HZ2 LYS 33 1.098 9.742 -1.435 234 3HZ LYS 33 HZ3 LYS 33 2.168 10.229 -0.219 235 H ILE 34 HN ILE 34 1.665 6.085 1.729 236 HA ILE 34 HA ILE 34 -0.927 4.959 0.929 237 HB ILE 34 HB ILE 34 -0.115 4.113 3.077 238 1HG1 ILE 34 HG12 ILE 34 -2.146 5.404 4.422 239 2HG1 ILE 34 HG11 ILE 34 -2.602 5.622 2.734 240 1HG2 ILE 34 HG21 ILE 34 0.813 5.369 4.666 241 2HG2 ILE 34 HG22 ILE 34 -0.474 6.571 4.589 242 3HG2 ILE 34 HG23 ILE 34 0.874 6.651 3.456 243 1HD1 ILE 34 HD11 ILE 34 -2.151 3.084 2.547 244 2HD1 ILE 34 HD12 ILE 34 -3.646 3.651 3.291 245 3HD1 ILE 34 HD13 ILE 34 -2.309 3.106 4.303 246 H ILE 35 HN ILE 35 -1.429 6.725 -0.447 247 HA ILE 35 HA ILE 35 -1.358 9.419 0.339 248 HB ILE 35 HB ILE 35 -3.260 9.596 -1.465 249 1HG1 ILE 35 HG12 ILE 35 -2.087 7.182 -2.673 250 2HG1 ILE 35 HG11 ILE 35 -3.169 6.868 -1.321 251 1HG2 ILE 35 HG21 ILE 35 -1.573 9.733 -3.182 252 2HG2 ILE 35 HG22 ILE 35 -0.465 8.765 -2.209 253 3HG2 ILE 35 HG23 ILE 35 -0.935 10.377 -1.669 254 1HD1 ILE 35 HD11 ILE 35 -4.009 7.061 -3.831 255 2HD1 ILE 35 HD12 ILE 35 -4.116 8.763 -3.380 256 3HD1 ILE 35 HD13 ILE 35 -5.000 7.548 -2.456 257 H SER 36 HN SER 36 -4.083 7.121 0.281 258 HA SER 36 HA SER 36 -5.826 6.926 1.771 259 1HB SER 36 HB2 SER 36 -5.367 9.663 2.906 260 2HB SER 36 HB1 SER 36 -6.034 8.229 3.685 261 HG SER 36 HG SER 36 -3.473 9.074 3.570 262 H ALA 37 HN ALA 37 -5.232 9.595 -0.289 263 HA ALA 37 HA ALA 37 -8.010 10.452 -0.305 264 1HB ALA 37 HB1 ALA 37 -6.630 12.301 -0.494 265 2HB ALA 37 HB2 ALA 37 -7.065 11.987 -2.173 266 3HB ALA 37 HB3 ALA 37 -5.495 11.471 -1.558 267 H SER 38 HN SER 38 -5.765 9.802 -2.965 268 HA SER 38 HA SER 38 -6.942 7.585 -4.075 269 1HB SER 38 HB2 SER 38 -8.565 9.962 -4.465 270 2HB SER 38 HB1 SER 38 -8.066 9.267 -6.008 271 HG SER 38 HG SER 38 -9.315 7.850 -3.886 272 H THR 39 HN THR 39 -6.085 10.806 -5.360 273 HA THR 39 HA THR 39 -4.698 9.925 -7.603 274 HB THR 39 HB THR 39 -3.770 12.367 -6.146 275 HG1 THR 39 HG1 THR 39 -5.670 13.223 -6.153 276 1HG2 THR 39 HG21 THR 39 -3.880 13.376 -8.368 277 2HG2 THR 39 HG22 THR 39 -4.458 11.846 -9.028 278 3HG2 THR 39 HG23 THR 39 -2.838 11.954 -8.340 279 H CYS 40 HN CYS 40 -2.845 8.874 -7.861 280 HA CYS 40 HA CYS 40 -1.179 8.291 -5.592 281 1HB CYS 40 HB2 CYS 40 -1.611 7.202 -8.232 282 2HB CYS 40 HB1 CYS 40 0.111 7.380 -7.915 283 HA PRO 41 HA PRO 41 1.714 11.592 -6.042 284 1HB PRO 41 HB2 PRO 41 3.941 10.356 -5.010 285 2HB PRO 41 HB1 PRO 41 2.648 11.059 -4.034 286 1HG PRO 41 HG2 PRO 41 3.127 8.207 -4.778 287 2HG PRO 41 HG1 PRO 41 2.553 8.890 -3.247 288 1HD PRO 41 HD2 PRO 41 0.892 7.722 -5.030 289 2HD PRO 41 HD1 PRO 41 0.383 9.070 -3.994 290 H SER 42 HN SER 42 3.847 8.787 -6.453 291 HA SER 42 HA SER 42 5.122 9.970 -8.697 292 1HB SER 42 HB2 SER 42 5.545 7.685 -6.986 293 2HB SER 42 HB1 SER 42 5.803 7.245 -8.674 294 HG SER 42 HG SER 42 7.086 9.263 -7.166 295 H ASP 43 HN ASP 43 3.991 6.610 -8.858 296 HA ASP 43 HA ASP 43 1.888 6.957 -10.645 297 1HB ASP 43 HB2 ASP 43 4.221 7.705 -11.888 298 2HB ASP 43 HB1 ASP 43 4.047 6.029 -12.397 299 H TYR 44 HN TYR 44 2.765 5.145 -8.519 300 HA TYR 44 HA TYR 44 2.831 2.613 -10.000 301 1HB TYR 44 HB2 TYR 44 3.143 1.954 -7.321 302 2HB TYR 44 HB1 TYR 44 4.407 2.015 -8.536 303 HD1 TYR 44 HD1 TYR 44 3.032 3.541 -5.559 304 HD2 TYR 44 HD2 TYR 44 5.850 4.039 -8.705 305 HE1 TYR 44 HE1 TYR 44 4.195 5.251 -4.233 306 HE2 TYR 44 HE2 TYR 44 7.020 5.757 -7.390 307 HH TYR 44 HH TYR 44 5.823 7.382 -5.004 308 HA PRO 45 HA PRO 45 -1.614 2.917 -8.849 309 1HB PRO 45 HB2 PRO 45 -2.248 0.836 -10.584 310 2HB PRO 45 HB1 PRO 45 -2.313 2.555 -10.978 311 1HG PRO 45 HG2 PRO 45 -0.177 0.555 -11.563 312 2HG PRO 45 HG1 PRO 45 -0.776 1.888 -12.568 313 1HD PRO 45 HD2 PRO 45 1.545 2.073 -11.255 314 2HD PRO 45 HD1 PRO 45 0.470 3.477 -11.419 315 H LYS 46 HN LYS 46 -1.249 2.103 -6.764 316 HA LYS 46 HA LYS 46 -0.885 -0.760 -6.420 317 1HB LYS 46 HB2 LYS 46 0.429 0.549 -4.979 318 2HB LYS 46 HB1 LYS 46 -0.917 1.580 -4.563 319 1HG LYS 46 HG2 LYS 46 -1.946 -0.423 -3.430 320 2HG LYS 46 HG1 LYS 46 -0.388 -1.225 -3.655 321 1HD LYS 46 HD2 LYS 46 0.684 0.679 -2.465 322 2HD LYS 46 HD1 LYS 46 -0.912 1.320 -2.126 323 1HE LYS 46 HE2 LYS 46 -1.459 -0.466 -0.721 324 2HE LYS 46 HE1 LYS 46 -0.145 -1.467 -1.341 325 1HZ LYS 46 HZ1 LYS 46 1.161 0.675 -0.359 326 2HZ LYS 46 HZ2 LYS 46 0.932 -0.775 0.475 327 3HZ LYS 46 HZ3 LYS 46 -0.114 0.525 0.739 Start of MODEL 16 1 1H LYS 1 HT1 LYS 1 -6.485 0.436 1.674 2 2H LYS 1 HT2 LYS 1 -6.606 2.112 1.318 3 3H LYS 1 HT3 LYS 1 -5.256 1.513 2.191 4 HA LYS 1 HA LYS 1 -4.839 0.083 0.173 5 1HB LYS 1 HB2 LYS 1 -7.170 1.573 -0.586 6 2HB LYS 1 HB1 LYS 1 -5.845 2.007 -1.655 7 1HG LYS 1 HG2 LYS 1 -5.498 -0.534 -1.896 8 2HG LYS 1 HG1 LYS 1 -7.130 -0.659 -1.235 9 1HD LYS 1 HD2 LYS 1 -7.532 -0.612 -3.513 10 2HD LYS 1 HD1 LYS 1 -7.724 1.085 -3.069 11 1HE LYS 1 HE2 LYS 1 -6.266 1.513 -4.708 12 2HE LYS 1 HE1 LYS 1 -5.037 0.899 -3.608 13 1HZ LYS 1 HZ1 LYS 1 -4.659 -0.783 -4.987 14 2HZ LYS 1 HZ2 LYS 1 -5.765 -0.132 -6.084 15 3HZ LYS 1 HZ3 LYS 1 -6.279 -1.260 -4.937 16 H SER 2 HN SER 2 -2.879 0.626 -0.641 17 HA SER 2 HA SER 2 -2.108 3.425 -0.688 18 1HB SER 2 HB2 SER 2 -0.010 3.017 0.441 19 2HB SER 2 HB1 SER 2 -1.318 2.431 1.465 20 HG SER 2 HG SER 2 0.463 0.931 -0.134 21 H CYS 3 HN CYS 3 -0.611 3.970 -2.240 22 HA CYS 3 HA CYS 3 -0.495 2.273 -4.500 23 1HB CYS 3 HB2 CYS 3 1.186 4.734 -4.073 24 2HB CYS 3 HB1 CYS 3 0.669 4.030 -5.600 25 H CYS 4 HN CYS 4 1.329 1.343 -5.520 26 HA CYS 4 HA CYS 4 3.795 1.206 -3.979 27 1HB CYS 4 HB2 CYS 4 2.333 -1.334 -4.707 28 2HB CYS 4 HB1 CYS 4 3.837 -1.196 -3.804 29 HA PRO 5 HA PRO 5 5.364 1.130 -8.125 30 1HB PRO 5 HB2 PRO 5 7.976 0.815 -7.585 31 2HB PRO 5 HB1 PRO 5 7.124 2.320 -7.223 32 1HG PRO 5 HG2 PRO 5 7.857 0.070 -5.391 33 2HG PRO 5 HG1 PRO 5 7.970 1.817 -5.117 34 1HD PRO 5 HD2 PRO 5 5.929 0.262 -4.167 35 2HD PRO 5 HD1 PRO 5 5.760 1.990 -4.532 36 H ASN 6 HN ASN 6 5.362 -1.562 -6.046 37 HA ASN 6 HA ASN 6 5.671 -3.354 -8.275 38 1HB ASN 6 HB2 ASN 6 7.773 -3.168 -6.134 39 2HB ASN 6 HB1 ASN 6 7.472 -4.686 -6.974 40 1HD2 ASN 6 HD21 ASN 6 9.171 -1.822 -7.009 41 2HD2 ASN 6 HD22 ASN 6 9.728 -1.862 -8.644 42 H THR 7 HN THR 7 4.592 -5.227 -7.969 43 HA THR 7 HA THR 7 2.651 -5.504 -6.065 44 HB THR 7 HB THR 7 2.426 -6.929 -7.884 45 HG1 THR 7 HG1 THR 7 1.795 -8.214 -6.278 46 1HG2 THR 7 HG21 THR 7 5.259 -7.782 -7.406 47 2HG2 THR 7 HG22 THR 7 4.560 -7.039 -8.845 48 3HG2 THR 7 HG23 THR 7 4.151 -8.702 -8.423 49 H THR 8 HN THR 8 6.037 -6.202 -5.732 50 HA THR 8 HA THR 8 6.051 -7.998 -3.621 51 HB THR 8 HB THR 8 8.158 -6.412 -2.977 52 HG1 THR 8 HG1 THR 8 7.403 -4.976 -4.739 53 1HG2 THR 8 HG21 THR 8 7.871 -8.838 -4.176 54 2HG2 THR 8 HG22 THR 8 9.409 -8.054 -3.813 55 3HG2 THR 8 HG23 THR 8 8.702 -7.905 -5.422 56 H GLY 9 HN GLY 9 5.930 -4.438 -3.504 57 1HA GLY 9 HA2 GLY 9 5.619 -4.384 -0.642 58 2HA GLY 9 HA1 GLY 9 5.445 -3.016 -1.738 59 H ARG 10 HN ARG 10 3.524 -4.033 -3.452 60 HA ARG 10 HA ARG 10 1.129 -3.378 -2.191 61 1HB ARG 10 HB2 ARG 10 1.895 -3.918 -4.764 62 2HB ARG 10 HB1 ARG 10 0.839 -5.276 -4.395 63 1HG ARG 10 HG2 ARG 10 -0.933 -4.009 -4.676 64 2HG ARG 10 HG1 ARG 10 -0.370 -2.907 -3.417 65 1HD ARG 10 HD2 ARG 10 0.094 -1.364 -4.925 66 2HD ARG 10 HD1 ARG 10 1.145 -2.486 -5.793 67 HE ARG 10 HE ARG 10 -1.661 -2.866 -6.242 68 1HH1 ARG 10 HH11 ARG 10 1.230 -1.247 -7.326 69 2HH1 ARG 10 HH12 ARG 10 0.656 -1.027 -8.944 70 1HH2 ARG 10 HH21 ARG 10 -2.422 -2.580 -8.378 71 2HH2 ARG 10 HH22 ARG 10 -1.418 -1.782 -9.541 72 H ASN 11 HN ASN 11 2.822 -6.411 -2.491 73 HA ASN 11 HA ASN 11 0.735 -8.143 -1.789 74 1HB ASN 11 HB2 ASN 11 3.714 -8.268 -1.806 75 2HB ASN 11 HB1 ASN 11 2.843 -9.502 -0.909 76 1HD2 ASN 11 HD21 ASN 11 4.304 -9.009 -3.696 77 2HD2 ASN 11 HD22 ASN 11 3.352 -9.989 -4.753 78 H ILE 12 HN ILE 12 3.135 -6.400 0.153 79 HA ILE 12 HA ILE 12 2.297 -7.554 2.605 80 HB ILE 12 HB ILE 12 3.819 -4.996 2.115 81 1HG1 ILE 12 HG12 ILE 12 5.581 -6.720 3.223 82 2HG1 ILE 12 HG11 ILE 12 4.554 -7.850 2.347 83 1HG2 ILE 12 HG21 ILE 12 2.903 -6.318 4.607 84 2HG2 ILE 12 HG22 ILE 12 3.144 -4.606 4.253 85 3HG2 ILE 12 HG23 ILE 12 4.531 -5.641 4.596 86 1HD1 ILE 12 HD11 ILE 12 5.820 -7.407 0.589 87 2HD1 ILE 12 HD12 ILE 12 6.541 -5.996 1.365 88 3HD1 ILE 12 HD13 ILE 12 4.999 -5.848 0.523 89 H TYR 13 HN TYR 13 1.642 -4.369 1.103 90 HA TYR 13 HA TYR 13 -0.058 -3.503 3.177 91 1HB TYR 13 HB2 TYR 13 1.033 -2.172 1.223 92 2HB TYR 13 HB1 TYR 13 -0.425 -2.611 0.341 93 HD1 TYR 13 HD1 TYR 13 -2.582 -1.683 0.962 94 HD2 TYR 13 HD2 TYR 13 0.939 -0.635 3.105 95 HE1 TYR 13 HE1 TYR 13 -3.782 0.191 2.005 96 HE2 TYR 13 HE2 TYR 13 -0.250 1.243 4.155 97 HH TYR 13 HH TYR 13 -2.187 2.652 3.753 98 H ASN 14 HN ASN 14 -0.727 -5.145 0.116 99 HA ASN 14 HA ASN 14 -3.530 -5.128 0.390 100 1HB ASN 14 HB2 ASN 14 -1.599 -6.674 -1.309 101 2HB ASN 14 HB1 ASN 14 -3.311 -7.031 -1.332 102 1HD2 ASN 14 HD21 ASN 14 -1.272 -4.102 -1.384 103 2HD2 ASN 14 HD22 ASN 14 -2.113 -3.347 -2.689 104 H THR 15 HN THR 15 -1.073 -7.658 1.080 105 HA THR 15 HA THR 15 -3.031 -9.514 2.012 106 HB THR 15 HB THR 15 -0.104 -9.489 2.717 107 HG1 THR 15 HG1 THR 15 0.269 -9.922 0.715 108 1HG2 THR 15 HG21 THR 15 -0.288 -11.859 2.922 109 2HG2 THR 15 HG22 THR 15 -1.973 -11.815 2.404 110 3HG2 THR 15 HG23 THR 15 -1.506 -11.105 3.949 111 H CYS 16 HN CYS 16 -1.054 -7.031 3.489 112 HA CYS 16 HA CYS 16 -1.393 -7.640 6.184 113 1HB CYS 16 HB2 CYS 16 0.139 -5.924 5.675 114 2HB CYS 16 HB1 CYS 16 -1.023 -5.056 4.686 115 H ARG 17 HN ARG 17 -3.288 -5.320 4.222 116 HA ARG 17 HA ARG 17 -5.327 -4.931 6.107 117 1HB ARG 17 HB2 ARG 17 -4.909 -4.373 3.266 118 2HB ARG 17 HB1 ARG 17 -6.591 -4.714 3.645 119 1HG ARG 17 HG2 ARG 17 -5.939 -2.995 5.642 120 2HG ARG 17 HG1 ARG 17 -4.937 -2.393 4.319 121 1HD ARG 17 HD2 ARG 17 -6.740 -1.813 3.034 122 2HD ARG 17 HD1 ARG 17 -7.781 -3.045 3.746 123 HE ARG 17 HE ARG 17 -7.268 -1.243 5.762 124 1HH1 ARG 17 HH11 ARG 17 -8.718 -1.134 2.590 125 2HH1 ARG 17 HH12 ARG 17 -9.788 0.167 2.988 126 1HH2 ARG 17 HH21 ARG 17 -8.675 0.468 6.287 127 2HH2 ARG 17 HH22 ARG 17 -9.764 1.078 5.085 128 H LEU 18 HN LEU 18 -4.878 -7.308 3.563 129 HA LEU 18 HA LEU 18 -7.351 -8.600 3.711 130 1HB LEU 18 HB2 LEU 18 -4.741 -9.049 2.536 131 2HB LEU 18 HB1 LEU 18 -5.466 -10.552 3.055 132 HG LEU 18 HG LEU 18 -6.640 -8.551 1.130 133 1HD1 LEU 18 HD11 LEU 18 -6.391 -10.328 -0.509 134 2HD1 LEU 18 HD12 LEU 18 -5.689 -11.382 0.718 135 3HD1 LEU 18 HD13 LEU 18 -4.833 -9.926 0.211 136 1HD2 LEU 18 HD21 LEU 18 -8.295 -10.564 0.853 137 2HD2 LEU 18 HD22 LEU 18 -8.546 -9.364 2.120 138 3HD2 LEU 18 HD23 LEU 18 -7.811 -10.918 2.512 139 H GLY 19 HN GLY 19 -4.565 -8.752 5.748 140 1HA GLY 19 HA2 GLY 19 -5.684 -11.064 7.168 141 2HA GLY 19 HA1 GLY 19 -4.024 -10.505 7.294 142 H GLY 20 HN GLY 20 -6.471 -8.083 7.329 143 1HA GLY 20 HA2 GLY 20 -7.250 -6.710 9.000 144 2HA GLY 20 HA1 GLY 20 -7.079 -8.081 10.086 145 H GLY 21 HN GLY 21 -4.896 -5.931 8.284 146 1HA GLY 21 HA2 GLY 21 -3.390 -5.531 10.781 147 2HA GLY 21 HA1 GLY 21 -2.600 -5.730 9.223 148 H SER 22 HN SER 22 -3.384 -3.541 11.434 149 HA SER 22 HA SER 22 -4.598 -1.368 10.416 150 1HB SER 22 HB2 SER 22 -2.034 -0.606 11.609 151 2HB SER 22 HB1 SER 22 -3.678 -0.243 12.134 152 HG SER 22 HG SER 22 -3.769 -2.193 13.179 153 H ARG 23 HN ARG 23 -3.964 0.533 9.325 154 HA ARG 23 HA ARG 23 -2.694 0.097 6.880 155 1HB ARG 23 HB2 ARG 23 -4.300 1.843 7.046 156 2HB ARG 23 HB1 ARG 23 -3.418 2.622 8.351 157 1HG ARG 23 HG2 ARG 23 -1.990 2.326 5.782 158 2HG ARG 23 HG1 ARG 23 -3.337 3.466 5.824 159 1HD ARG 23 HD2 ARG 23 -1.218 3.496 7.944 160 2HD ARG 23 HD1 ARG 23 -0.968 4.316 6.404 161 HE ARG 23 HE ARG 23 -3.424 5.158 7.372 162 1HH1 ARG 23 HH11 ARG 23 -0.077 5.325 8.347 163 2HH1 ARG 23 HH12 ARG 23 -0.269 6.823 9.194 164 1HH2 ARG 23 HH21 ARG 23 -3.678 7.128 8.486 165 2HH2 ARG 23 HH22 ARG 23 -2.313 7.846 9.273 166 H GLU 24 HN GLU 24 -1.500 1.461 9.873 167 HA GLU 24 HA GLU 24 0.998 2.318 8.821 168 1HB GLU 24 HB2 GLU 24 0.674 1.649 11.714 169 2HB GLU 24 HB1 GLU 24 1.505 3.008 10.966 170 1HG GLU 24 HG2 GLU 24 -0.847 3.765 10.246 171 2HG GLU 24 HG1 GLU 24 -1.417 2.636 11.474 172 H ARG 25 HN ARG 25 -0.109 -0.654 10.339 173 HA ARG 25 HA ARG 25 2.349 -1.845 10.864 174 1HB ARG 25 HB2 ARG 25 -0.407 -2.818 10.372 175 2HB ARG 25 HB1 ARG 25 0.881 -4.000 10.187 176 1HG ARG 25 HG2 ARG 25 1.659 -3.463 12.465 177 2HG ARG 25 HG1 ARG 25 0.294 -2.359 12.642 178 1HD ARG 25 HD2 ARG 25 -1.247 -4.063 12.729 179 2HD ARG 25 HD1 ARG 25 -0.223 -5.177 11.824 180 HE ARG 25 HE ARG 25 0.860 -4.507 14.387 181 1HH1 ARG 25 HH11 ARG 25 -1.406 -6.580 12.730 182 2HH1 ARG 25 HH12 ARG 25 -1.350 -7.817 13.939 183 1HH2 ARG 25 HH21 ARG 25 0.936 -6.134 15.979 184 2HH2 ARG 25 HH22 ARG 25 -0.021 -7.565 15.784 185 H CYS 26 HN CYS 26 0.387 -1.957 7.914 186 HA CYS 26 HA CYS 26 2.253 -3.544 6.461 187 1HB CYS 26 HB2 CYS 26 0.588 -1.926 4.724 188 2HB CYS 26 HB1 CYS 26 0.647 -3.670 4.915 189 H ALA 27 HN ALA 27 1.643 -0.080 6.718 190 HA ALA 27 HA ALA 27 3.359 0.726 4.637 191 1HB ALA 27 HB1 ALA 27 3.427 2.868 6.258 192 2HB ALA 27 HB2 ALA 27 2.019 2.038 6.917 193 3HB ALA 27 HB3 ALA 27 2.060 2.485 5.212 194 H SER 28 HN SER 28 3.939 0.223 8.091 195 HA SER 28 HA SER 28 6.624 1.135 8.044 196 1HB SER 28 HB2 SER 28 5.252 1.026 10.110 197 2HB SER 28 HB1 SER 28 5.309 -0.734 10.026 198 HG SER 28 HG SER 28 7.386 -0.714 10.580 199 H LEU 29 HN LEU 29 5.121 -2.054 7.803 200 HA LEU 29 HA LEU 29 7.561 -3.510 7.774 201 1HB LEU 29 HB2 LEU 29 4.850 -4.120 7.900 202 2HB LEU 29 HB1 LEU 29 5.373 -4.813 6.377 203 HG LEU 29 HG LEU 29 6.947 -5.359 8.863 204 1HD1 LEU 29 HD11 LEU 29 4.317 -6.573 8.085 205 2HD1 LEU 29 HD12 LEU 29 4.833 -5.960 9.657 206 3HD1 LEU 29 HD13 LEU 29 5.508 -7.464 9.033 207 1HD2 LEU 29 HD21 LEU 29 7.489 -5.989 6.362 208 2HD2 LEU 29 HD22 LEU 29 6.378 -7.316 6.697 209 3HD2 LEU 29 HD23 LEU 29 7.825 -7.108 7.682 210 H SER 30 HN SER 30 5.338 -2.500 5.179 211 HA SER 30 HA SER 30 7.218 -3.420 3.166 212 1HB SER 30 HB2 SER 30 4.482 -3.310 3.217 213 2HB SER 30 HB1 SER 30 4.882 -1.893 2.249 214 HG SER 30 HG SER 30 4.706 -3.693 0.917 215 H GLY 31 HN GLY 31 5.389 -0.370 3.437 216 1HA GLY 31 HA2 GLY 31 6.577 1.742 3.731 217 2HA GLY 31 HA1 GLY 31 7.892 1.057 2.788 218 H CYS 32 HN CYS 32 4.528 0.650 1.927 219 HA CYS 32 HA CYS 32 4.964 1.666 -0.689 220 1HB CYS 32 HB2 CYS 32 2.595 0.664 0.841 221 2HB CYS 32 HB1 CYS 32 2.337 1.498 -0.683 222 H LYS 33 HN LYS 33 2.862 3.219 -1.389 223 HA LYS 33 HA LYS 33 3.349 5.667 0.158 224 1HB LYS 33 HB2 LYS 33 3.982 5.521 -2.317 225 2HB LYS 33 HB1 LYS 33 2.254 5.549 -2.643 226 1HG LYS 33 HG2 LYS 33 3.296 7.762 -2.847 227 2HG LYS 33 HG1 LYS 33 2.049 7.714 -1.599 228 1HD LYS 33 HD2 LYS 33 4.809 7.126 -0.722 229 2HD LYS 33 HD1 LYS 33 4.483 8.786 -1.219 230 1HE LYS 33 HE2 LYS 33 2.311 8.150 0.358 231 2HE LYS 33 HE1 LYS 33 3.656 7.354 1.175 232 1HZ LYS 33 HZ1 LYS 33 3.582 10.221 0.399 233 2HZ LYS 33 HZ2 LYS 33 4.833 9.449 1.236 234 3HZ LYS 33 HZ3 LYS 33 3.315 9.626 1.960 235 H ILE 34 HN ILE 34 1.751 6.463 1.327 236 HA ILE 34 HA ILE 34 -0.968 5.497 0.842 237 HB ILE 34 HB ILE 34 0.010 5.155 3.098 238 1HG1 ILE 34 HG12 ILE 34 -2.164 7.072 3.645 239 2HG1 ILE 34 HG11 ILE 34 -2.532 5.847 2.434 240 1HG2 ILE 34 HG21 ILE 34 -0.249 8.114 3.518 241 2HG2 ILE 34 HG22 ILE 34 1.269 7.368 3.026 242 3HG2 ILE 34 HG23 ILE 34 0.520 6.915 4.556 243 1HD1 ILE 34 HD11 ILE 34 -1.363 4.394 4.447 244 2HD1 ILE 34 HD12 ILE 34 -3.094 4.556 4.152 245 3HD1 ILE 34 HD13 ILE 34 -2.295 5.612 5.316 246 H ILE 35 HN ILE 35 -2.255 6.801 -0.287 247 HA ILE 35 HA ILE 35 -1.777 9.695 -0.147 248 HB ILE 35 HB ILE 35 -3.637 9.326 -2.182 249 1HG1 ILE 35 HG12 ILE 35 -2.377 7.658 -3.654 250 2HG1 ILE 35 HG11 ILE 35 -1.610 7.085 -2.179 251 1HG2 ILE 35 HG21 ILE 35 -1.376 10.667 -1.858 252 2HG2 ILE 35 HG22 ILE 35 -2.086 10.387 -3.448 253 3HG2 ILE 35 HG23 ILE 35 -0.761 9.369 -2.881 254 1HD1 ILE 35 HD11 ILE 35 -4.507 6.954 -2.939 255 2HD1 ILE 35 HD12 ILE 35 -3.942 6.678 -1.291 256 3HD1 ILE 35 HD13 ILE 35 -3.398 5.626 -2.598 257 H SER 36 HN SER 36 -4.864 8.430 -1.236 258 HA SER 36 HA SER 36 -6.427 8.269 0.946 259 1HB SER 36 HB2 SER 36 -7.336 10.739 1.016 260 2HB SER 36 HB1 SER 36 -5.916 10.293 1.960 261 HG SER 36 HG SER 36 -4.913 11.779 0.885 262 H ALA 37 HN ALA 37 -6.424 7.502 -1.775 263 HA ALA 37 HA ALA 37 -9.106 7.614 -2.422 264 1HB ALA 37 HB1 ALA 37 -8.783 9.151 -4.536 265 2HB ALA 37 HB2 ALA 37 -7.540 9.889 -3.526 266 3HB ALA 37 HB3 ALA 37 -9.211 9.833 -2.966 267 H SER 38 HN SER 38 -6.538 8.301 -4.749 268 HA SER 38 HA SER 38 -6.048 5.567 -5.391 269 1HB SER 38 HB2 SER 38 -8.244 6.914 -6.733 270 2HB SER 38 HB1 SER 38 -7.015 6.380 -7.880 271 HG SER 38 HG SER 38 -7.181 4.288 -6.912 272 H THR 39 HN THR 39 -5.984 8.916 -6.549 273 HA THR 39 HA THR 39 -3.945 8.720 -8.419 274 HB THR 39 HB THR 39 -5.120 10.768 -8.296 275 HG1 THR 39 HG1 THR 39 -3.367 11.808 -8.710 276 1HG2 THR 39 HG21 THR 39 -5.964 11.439 -6.365 277 2HG2 THR 39 HG22 THR 39 -4.372 12.109 -6.003 278 3HG2 THR 39 HG23 THR 39 -4.798 10.492 -5.440 279 H CYS 40 HN CYS 40 -1.760 8.597 -8.346 280 HA CYS 40 HA CYS 40 -0.494 8.635 -5.689 281 1HB CYS 40 HB2 CYS 40 0.359 6.804 -7.928 282 2HB CYS 40 HB1 CYS 40 0.848 6.751 -6.238 283 HA PRO 41 HA PRO 41 2.320 11.633 -7.244 284 1HB PRO 41 HB2 PRO 41 4.584 10.917 -5.858 285 2HB PRO 41 HB1 PRO 41 3.246 11.845 -5.174 286 1HG PRO 41 HG2 PRO 41 3.819 8.913 -4.965 287 2HG PRO 41 HG1 PRO 41 3.271 10.040 -3.709 288 1HD PRO 41 HD2 PRO 41 1.566 8.368 -4.916 289 2HD PRO 41 HD1 PRO 41 1.080 10.016 -4.468 290 H SER 42 HN SER 42 4.652 9.035 -6.684 291 HA SER 42 HA SER 42 6.194 9.433 -8.881 292 1HB SER 42 HB2 SER 42 7.060 7.189 -8.597 293 2HB SER 42 HB1 SER 42 6.730 7.885 -7.012 294 HG SER 42 HG SER 42 5.920 5.608 -7.765 295 H ASP 43 HN ASP 43 4.604 6.307 -9.097 296 HA ASP 43 HA ASP 43 2.903 6.949 -11.268 297 1HB ASP 43 HB2 ASP 43 5.224 7.205 -12.286 298 2HB ASP 43 HB1 ASP 43 5.394 5.462 -12.092 299 H TYR 44 HN TYR 44 2.851 5.383 -8.831 300 HA TYR 44 HA TYR 44 2.485 2.681 -9.917 301 1HB TYR 44 HB2 TYR 44 2.169 2.275 -7.272 302 2HB TYR 44 HB1 TYR 44 3.720 2.177 -8.088 303 HD1 TYR 44 HD1 TYR 44 1.697 5.101 -6.909 304 HD2 TYR 44 HD2 TYR 44 5.351 2.939 -6.658 305 HE1 TYR 44 HE1 TYR 44 2.595 6.802 -5.376 306 HE2 TYR 44 HE2 TYR 44 6.258 4.635 -5.127 307 HH TYR 44 HH TYR 44 5.334 7.508 -4.810 308 HA PRO 45 HA PRO 45 -1.813 4.246 -9.587 309 1HB PRO 45 HB2 PRO 45 -2.765 2.805 -11.673 310 2HB PRO 45 HB1 PRO 45 -1.925 4.347 -11.878 311 1HG PRO 45 HG2 PRO 45 -0.861 1.559 -12.159 312 2HG PRO 45 HG1 PRO 45 -0.608 2.963 -13.214 313 1HD PRO 45 HD2 PRO 45 1.226 2.174 -11.394 314 2HD PRO 45 HD1 PRO 45 0.985 3.880 -11.822 315 H LYS 46 HN LYS 46 -1.147 2.557 -7.633 316 HA LYS 46 HA LYS 46 -2.283 -0.045 -7.854 317 1HB LYS 46 HB2 LYS 46 -0.928 -0.156 -6.076 318 2HB LYS 46 HB1 LYS 46 -0.961 1.576 -5.847 319 1HG LYS 46 HG2 LYS 46 -2.145 1.273 -4.008 320 2HG LYS 46 HG1 LYS 46 -3.459 0.621 -4.973 321 1HD LYS 46 HD2 LYS 46 -2.278 -1.605 -4.870 322 2HD LYS 46 HD1 LYS 46 -1.209 -0.885 -3.666 323 1HE LYS 46 HE2 LYS 46 -2.698 -1.334 -2.096 324 2HE LYS 46 HE1 LYS 46 -3.849 -0.276 -2.904 325 1HZ LYS 46 HZ1 LYS 46 -5.057 -2.021 -3.493 326 2HZ LYS 46 HZ2 LYS 46 -4.044 -3.010 -2.570 327 3HZ LYS 46 HZ3 LYS 46 -3.730 -2.782 -4.216 Start of MODEL 17 1 1H LYS 1 HT1 LYS 1 -7.888 1.960 -1.814 2 2H LYS 1 HT2 LYS 1 -7.629 0.342 -1.302 3 3H LYS 1 HT3 LYS 1 -8.945 0.717 -2.339 4 HA LYS 1 HA LYS 1 -7.314 -0.266 -3.644 5 1HB LYS 1 HB2 LYS 1 -8.268 2.366 -3.972 6 2HB LYS 1 HB1 LYS 1 -6.585 2.400 -4.477 7 1HG LYS 1 HG2 LYS 1 -8.748 0.597 -5.540 8 2HG LYS 1 HG1 LYS 1 -7.991 1.957 -6.374 9 1HD LYS 1 HD2 LYS 1 -6.596 -0.566 -5.481 10 2HD LYS 1 HD1 LYS 1 -7.080 -0.184 -7.134 11 1HE LYS 1 HE2 LYS 1 -5.615 1.809 -7.057 12 2HE LYS 1 HE1 LYS 1 -5.083 1.320 -5.448 13 1HZ LYS 1 HZ1 LYS 1 -4.856 -0.682 -7.545 14 2HZ LYS 1 HZ2 LYS 1 -3.802 -0.322 -6.274 15 3HZ LYS 1 HZ3 LYS 1 -3.808 0.639 -7.665 16 H SER 2 HN SER 2 -5.915 2.583 -2.021 17 HA SER 2 HA SER 2 -3.813 3.036 -1.288 18 1HB SER 2 HB2 SER 2 -4.224 0.275 -0.761 19 2HB SER 2 HB1 SER 2 -2.557 0.488 -1.289 20 HG SER 2 HG SER 2 -3.810 2.028 0.736 21 H CYS 3 HN CYS 3 -1.470 2.886 -1.874 22 HA CYS 3 HA CYS 3 -1.145 2.341 -4.751 23 1HB CYS 3 HB2 CYS 3 -1.260 4.755 -4.361 24 2HB CYS 3 HB1 CYS 3 0.021 4.638 -3.162 25 H CYS 4 HN CYS 4 0.969 1.690 -5.439 26 HA CYS 4 HA CYS 4 2.960 1.121 -3.412 27 1HB CYS 4 HB2 CYS 4 1.430 -1.056 -4.820 28 2HB CYS 4 HB1 CYS 4 3.037 -1.328 -4.159 29 HA PRO 5 HA PRO 5 5.631 1.624 -6.896 30 1HB PRO 5 HB2 PRO 5 7.891 0.493 -5.997 31 2HB PRO 5 HB1 PRO 5 7.252 1.979 -5.282 32 1HG PRO 5 HG2 PRO 5 7.052 -0.837 -4.293 33 2HG PRO 5 HG1 PRO 5 7.383 0.647 -3.382 34 1HD PRO 5 HD2 PRO 5 4.920 -0.555 -3.509 35 2HD PRO 5 HD1 PRO 5 5.163 1.174 -3.205 36 H ASN 6 HN ASN 6 5.106 -1.586 -5.603 37 HA ASN 6 HA ASN 6 4.971 -2.745 -8.197 38 1HB ASN 6 HB2 ASN 6 6.849 -4.439 -7.681 39 2HB ASN 6 HB1 ASN 6 7.314 -2.840 -8.254 40 1HD2 ASN 6 HD21 ASN 6 9.377 -3.447 -7.286 41 2HD2 ASN 6 HD22 ASN 6 9.623 -3.155 -5.602 42 H THR 7 HN THR 7 4.838 -5.251 -7.956 43 HA THR 7 HA THR 7 2.698 -5.831 -6.258 44 HB THR 7 HB THR 7 2.925 -7.198 -8.156 45 HG1 THR 7 HG1 THR 7 2.927 -9.228 -7.287 46 1HG2 THR 7 HG21 THR 7 4.960 -8.778 -8.312 47 2HG2 THR 7 HG22 THR 7 5.757 -7.573 -7.300 48 3HG2 THR 7 HG23 THR 7 5.111 -7.113 -8.875 49 H THR 8 HN THR 8 6.150 -6.124 -5.771 50 HA THR 8 HA THR 8 6.167 -7.859 -3.581 51 HB THR 8 HB THR 8 8.316 -6.587 -2.972 52 HG1 THR 8 HG1 THR 8 7.567 -4.683 -4.207 53 1HG2 THR 8 HG21 THR 8 8.156 -8.658 -4.434 54 2HG2 THR 8 HG22 THR 8 9.590 -7.647 -4.615 55 3HG2 THR 8 HG23 THR 8 8.292 -7.557 -5.805 56 H GLY 9 HN GLY 9 5.064 -4.615 -3.812 57 1HA GLY 9 HA2 GLY 9 5.153 -4.291 -0.891 58 2HA GLY 9 HA1 GLY 9 4.866 -3.001 -2.053 59 H ARG 10 HN ARG 10 2.993 -4.382 -3.649 60 HA ARG 10 HA ARG 10 0.599 -3.766 -2.336 61 1HB ARG 10 HB2 ARG 10 0.753 -3.730 -4.748 62 2HB ARG 10 HB1 ARG 10 1.172 -5.437 -4.790 63 1HG ARG 10 HG2 ARG 10 -1.046 -5.420 -5.414 64 2HG ARG 10 HG1 ARG 10 -1.122 -5.805 -3.694 65 1HD ARG 10 HD2 ARG 10 -2.794 -4.123 -4.364 66 2HD ARG 10 HD1 ARG 10 -1.656 -3.512 -3.163 67 HE ARG 10 HE ARG 10 -0.881 -2.920 -5.860 68 1HH1 ARG 10 HH11 ARG 10 -2.839 -1.882 -3.165 69 2HH1 ARG 10 HH12 ARG 10 -2.870 -0.225 -3.664 70 1HH2 ARG 10 HH21 ARG 10 -0.921 -0.739 -6.517 71 2HH2 ARG 10 HH22 ARG 10 -1.781 0.423 -5.566 72 H ASN 11 HN ASN 11 2.442 -6.722 -2.654 73 HA ASN 11 HA ASN 11 0.489 -8.545 -1.790 74 1HB ASN 11 HB2 ASN 11 3.501 -8.580 -1.752 75 2HB ASN 11 HB1 ASN 11 2.531 -9.938 -1.220 76 1HD2 ASN 11 HD21 ASN 11 4.392 -9.297 -3.570 77 2HD2 ASN 11 HD22 ASN 11 3.519 -9.887 -4.939 78 H ILE 12 HN ILE 12 3.279 -7.275 0.068 79 HA ILE 12 HA ILE 12 2.422 -8.267 2.526 80 HB ILE 12 HB ILE 12 4.160 -5.898 1.860 81 1HG1 ILE 12 HG12 ILE 12 5.685 -7.678 3.238 82 2HG1 ILE 12 HG11 ILE 12 4.544 -8.765 2.454 83 1HG2 ILE 12 HG21 ILE 12 3.146 -6.790 4.514 84 2HG2 ILE 12 HG22 ILE 12 3.481 -5.163 3.921 85 3HG2 ILE 12 HG23 ILE 12 4.811 -6.220 4.393 86 1HD1 ILE 12 HD11 ILE 12 6.687 -7.105 1.299 87 2HD1 ILE 12 HD12 ILE 12 5.205 -7.261 0.357 88 3HD1 ILE 12 HD13 ILE 12 6.103 -8.703 0.832 89 H TYR 13 HN TYR 13 1.733 -5.131 1.024 90 HA TYR 13 HA TYR 13 0.262 -4.100 3.189 91 1HB TYR 13 HB2 TYR 13 1.195 -2.991 0.986 92 2HB TYR 13 HB1 TYR 13 -0.413 -3.363 0.382 93 HD1 TYR 13 HD1 TYR 13 -2.413 -2.433 1.643 94 HD2 TYR 13 HD2 TYR 13 1.570 -1.122 2.356 95 HE1 TYR 13 HE1 TYR 13 -3.281 -0.397 2.716 96 HE2 TYR 13 HE2 TYR 13 0.714 0.917 3.431 97 HH TYR 13 HH TYR 13 -1.323 1.694 4.544 98 H ASN 14 HN ASN 14 -0.613 -6.089 0.421 99 HA ASN 14 HA ASN 14 -3.414 -5.983 0.839 100 1HB ASN 14 HB2 ASN 14 -1.547 -7.601 -0.814 101 2HB ASN 14 HB1 ASN 14 -3.147 -8.262 -0.520 102 1HD2 ASN 14 HD21 ASN 14 -2.075 -4.921 -0.966 103 2HD2 ASN 14 HD22 ASN 14 -3.079 -4.600 -2.335 104 H THR 15 HN THR 15 -1.075 -8.645 1.445 105 HA THR 15 HA THR 15 -2.863 -10.252 2.878 106 HB THR 15 HB THR 15 -0.933 -11.381 2.287 107 HG1 THR 15 HG1 THR 15 -0.418 -12.218 4.141 108 1HG2 THR 15 HG21 THR 15 1.305 -10.275 3.432 109 2HG2 THR 15 HG22 THR 15 0.426 -8.875 2.818 110 3HG2 THR 15 HG23 THR 15 0.856 -10.193 1.728 111 H CYS 16 HN CYS 16 -0.672 -7.700 3.981 112 HA CYS 16 HA CYS 16 -1.019 -7.931 6.725 113 1HB CYS 16 HB2 CYS 16 0.599 -6.382 5.984 114 2HB CYS 16 HB1 CYS 16 -0.535 -5.577 4.908 115 H ARG 17 HN ARG 17 -2.889 -5.984 4.408 116 HA ARG 17 HA ARG 17 -4.824 -5.045 6.212 117 1HB ARG 17 HB2 ARG 17 -4.416 -5.115 3.336 118 2HB ARG 17 HB1 ARG 17 -6.113 -5.325 3.751 119 1HG ARG 17 HG2 ARG 17 -4.710 -3.154 5.163 120 2HG ARG 17 HG1 ARG 17 -4.930 -2.933 3.426 121 1HD ARG 17 HD2 ARG 17 -7.389 -3.786 4.102 122 2HD ARG 17 HD1 ARG 17 -6.922 -2.995 5.607 123 HE ARG 17 HE ARG 17 -7.180 -0.985 4.565 124 1HH1 ARG 17 HH11 ARG 17 -6.797 -3.444 2.120 125 2HH1 ARG 17 HH12 ARG 17 -7.103 -2.361 0.804 126 1HH2 ARG 17 HH21 ARG 17 -7.582 0.441 2.836 127 2HH2 ARG 17 HH22 ARG 17 -7.548 -0.154 1.210 128 H LEU 18 HN LEU 18 -4.486 -8.045 4.470 129 HA LEU 18 HA LEU 18 -7.075 -9.043 4.667 130 1HB LEU 18 HB2 LEU 18 -6.176 -10.863 3.704 131 2HB LEU 18 HB1 LEU 18 -4.694 -9.935 3.657 132 HG LEU 18 HG LEU 18 -4.228 -10.952 5.969 133 1HD1 LEU 18 HD11 LEU 18 -5.951 -12.148 6.765 134 2HD1 LEU 18 HD12 LEU 18 -5.348 -13.417 5.700 135 3HD1 LEU 18 HD13 LEU 18 -6.662 -12.369 5.166 136 1HD2 LEU 18 HD21 LEU 18 -3.571 -13.180 4.713 137 2HD2 LEU 18 HD22 LEU 18 -2.756 -11.655 4.374 138 3HD2 LEU 18 HD23 LEU 18 -4.026 -12.233 3.297 139 H GLY 19 HN GLY 19 -4.663 -8.592 7.078 140 1HA GLY 19 HA2 GLY 19 -6.033 -10.361 8.962 141 2HA GLY 19 HA1 GLY 19 -4.481 -9.581 9.221 142 H GLY 20 HN GLY 20 -6.543 -7.332 7.918 143 1HA GLY 20 HA2 GLY 20 -7.677 -5.538 8.773 144 2HA GLY 20 HA1 GLY 20 -8.165 -6.596 10.087 145 H GLY 21 HN GLY 21 -4.954 -5.355 9.111 146 1HA GLY 21 HA2 GLY 21 -4.623 -4.438 11.876 147 2HA GLY 21 HA1 GLY 21 -3.315 -4.834 10.769 148 H SER 22 HN SER 22 -2.521 -2.751 11.481 149 HA SER 22 HA SER 22 -3.861 -0.345 10.763 150 1HB SER 22 HB2 SER 22 -1.004 0.004 10.951 151 2HB SER 22 HB1 SER 22 -2.279 0.622 11.997 152 HG SER 22 HG SER 22 -2.250 -1.401 13.081 153 H ARG 23 HN ARG 23 -3.352 1.127 9.158 154 HA ARG 23 HA ARG 23 -2.757 -0.031 6.625 155 1HB ARG 23 HB2 ARG 23 -4.027 2.296 7.534 156 2HB ARG 23 HB1 ARG 23 -2.640 2.855 6.611 157 1HG ARG 23 HG2 ARG 23 -4.028 2.676 4.865 158 2HG ARG 23 HG1 ARG 23 -3.623 0.961 4.948 159 1HD ARG 23 HD2 ARG 23 -5.891 0.787 4.970 160 2HD ARG 23 HD1 ARG 23 -5.614 0.968 6.702 161 HE ARG 23 HE ARG 23 -5.927 3.521 5.717 162 1HH1 ARG 23 HH11 ARG 23 -7.841 0.606 5.841 163 2HH1 ARG 23 HH12 ARG 23 -9.353 1.450 5.881 164 1HH2 ARG 23 HH21 ARG 23 -7.914 4.634 5.769 165 2HH2 ARG 23 HH22 ARG 23 -9.394 3.736 5.839 166 H GLU 24 HN GLU 24 -1.114 2.174 8.780 167 HA GLU 24 HA GLU 24 1.167 2.590 7.141 168 1HB GLU 24 HB2 GLU 24 2.124 3.263 9.523 169 2HB GLU 24 HB1 GLU 24 0.978 4.286 8.665 170 1HG GLU 24 HG2 GLU 24 -0.788 3.680 10.037 171 2HG GLU 24 HG1 GLU 24 0.015 2.211 10.587 172 H ARG 25 HN ARG 25 0.299 0.152 9.478 173 HA ARG 25 HA ARG 25 2.802 -0.802 10.208 174 1HB ARG 25 HB2 ARG 25 0.463 -1.511 11.028 175 2HB ARG 25 HB1 ARG 25 0.477 -2.634 9.676 176 1HG ARG 25 HG2 ARG 25 2.309 -3.827 10.554 177 2HG ARG 25 HG1 ARG 25 2.663 -2.563 11.733 178 1HD ARG 25 HD2 ARG 25 0.215 -3.088 12.538 179 2HD ARG 25 HD1 ARG 25 0.519 -4.634 11.746 180 HE ARG 25 HE ARG 25 1.570 -3.765 14.237 181 1HH1 ARG 25 HH11 ARG 25 2.363 -5.638 11.401 182 2HH1 ARG 25 HH12 ARG 25 3.496 -6.649 12.233 183 1HH2 ARG 25 HH21 ARG 25 3.060 -5.093 15.333 184 2HH2 ARG 25 HH22 ARG 25 3.892 -6.341 14.464 185 H CYS 26 HN CYS 26 0.787 -1.745 7.450 186 HA CYS 26 HA CYS 26 2.707 -3.581 6.409 187 1HB CYS 26 HB2 CYS 26 0.903 -2.503 4.388 188 2HB CYS 26 HB1 CYS 26 1.110 -4.157 4.943 189 H ALA 27 HN ALA 27 1.897 -0.211 5.773 190 HA ALA 27 HA ALA 27 3.461 0.245 3.527 191 1HB ALA 27 HB1 ALA 27 1.850 1.801 4.958 192 2HB ALA 27 HB2 ALA 27 3.069 2.463 3.871 193 3HB ALA 27 HB3 ALA 27 3.391 2.366 5.603 194 H SER 28 HN SER 28 4.372 0.440 6.957 195 HA SER 28 HA SER 28 7.078 1.130 6.439 196 1HB SER 28 HB2 SER 28 7.376 0.364 8.874 197 2HB SER 28 HB1 SER 28 6.274 1.711 8.588 198 HG SER 28 HG SER 28 5.765 -0.731 9.635 199 H LEU 29 HN LEU 29 5.291 -1.826 6.584 200 HA LEU 29 HA LEU 29 7.469 -3.605 6.991 201 1HB LEU 29 HB2 LEU 29 4.768 -3.852 7.018 202 2HB LEU 29 HB1 LEU 29 5.133 -4.561 5.458 203 HG LEU 29 HG LEU 29 4.969 -6.209 7.318 204 1HD1 LEU 29 HD11 LEU 29 7.391 -7.150 6.803 205 2HD1 LEU 29 HD12 LEU 29 7.341 -5.890 5.569 206 3HD1 LEU 29 HD13 LEU 29 6.108 -7.151 5.593 207 1HD2 LEU 29 HD21 LEU 29 7.654 -5.455 8.294 208 2HD2 LEU 29 HD22 LEU 29 6.295 -6.181 9.151 209 3HD2 LEU 29 HD23 LEU 29 6.306 -4.448 8.822 210 H SER 30 HN SER 30 5.562 -2.891 4.059 211 HA SER 30 HA SER 30 7.686 -4.019 2.420 212 1HB SER 30 HB2 SER 30 4.846 -3.799 2.181 213 2HB SER 30 HB1 SER 30 5.593 -3.006 0.794 214 HG SER 30 HG SER 30 6.883 -4.987 0.610 215 H GLY 31 HN GLY 31 5.846 -0.981 2.645 216 1HA GLY 31 HA2 GLY 31 7.215 1.086 2.610 217 2HA GLY 31 HA1 GLY 31 8.112 0.350 1.291 218 H CYS 32 HN CYS 32 4.629 0.159 1.634 219 HA CYS 32 HA CYS 32 4.312 1.387 -0.969 220 1HB CYS 32 HB2 CYS 32 2.508 -0.101 0.909 221 2HB CYS 32 HB1 CYS 32 1.833 0.816 -0.427 222 H LYS 33 HN LYS 33 2.015 2.685 -0.977 223 HA LYS 33 HA LYS 33 1.888 4.586 1.213 224 1HB LYS 33 HB2 LYS 33 3.657 5.369 -0.466 225 2HB LYS 33 HB1 LYS 33 2.321 5.637 -1.576 226 1HG LYS 33 HG2 LYS 33 2.895 7.704 -0.502 227 2HG LYS 33 HG1 LYS 33 1.308 7.178 0.062 228 1HD LYS 33 HD2 LYS 33 2.672 8.011 1.910 229 2HD LYS 33 HD1 LYS 33 2.323 6.293 2.103 230 1HE LYS 33 HE2 LYS 33 4.488 5.679 1.789 231 2HE LYS 33 HE1 LYS 33 4.813 7.000 0.669 232 1HZ LYS 33 HZ1 LYS 33 5.018 8.516 2.469 233 2HZ LYS 33 HZ2 LYS 33 5.976 7.174 2.842 234 3HZ LYS 33 HZ3 LYS 33 4.473 7.374 3.592 235 H ILE 34 HN ILE 34 0.030 6.032 1.036 236 HA ILE 34 HA ILE 34 -2.201 4.670 -0.226 237 HB ILE 34 HB ILE 34 -2.433 7.195 1.384 238 1HG1 ILE 34 HG12 ILE 34 -1.090 5.795 2.790 239 2HG1 ILE 34 HG11 ILE 34 -2.743 5.697 3.388 240 1HG2 ILE 34 HG21 ILE 34 -4.595 6.091 2.032 241 2HG2 ILE 34 HG22 ILE 34 -4.240 4.855 0.826 242 3HG2 ILE 34 HG23 ILE 34 -4.455 6.534 0.331 243 1HD1 ILE 34 HD11 ILE 34 -1.027 3.594 2.677 244 2HD1 ILE 34 HD12 ILE 34 -2.310 3.629 1.469 245 3HD1 ILE 34 HD13 ILE 34 -2.715 3.498 3.180 246 H ILE 35 HN ILE 35 -3.815 5.857 -1.464 247 HA ILE 35 HA ILE 35 -2.664 7.323 -3.581 248 HB ILE 35 HB ILE 35 -5.603 7.445 -2.988 249 1HG1 ILE 35 HG12 ILE 35 -5.113 5.118 -2.644 250 2HG1 ILE 35 HG11 ILE 35 -5.807 5.277 -4.253 251 1HG2 ILE 35 HG21 ILE 35 -5.218 8.647 -4.893 252 2HG2 ILE 35 HG22 ILE 35 -5.493 7.046 -5.580 253 3HG2 ILE 35 HG23 ILE 35 -3.848 7.649 -5.379 254 1HD1 ILE 35 HD11 ILE 35 -3.023 4.618 -3.447 255 2HD1 ILE 35 HD12 ILE 35 -3.309 5.416 -4.994 256 3HD1 ILE 35 HD13 ILE 35 -4.062 3.858 -4.653 257 H SER 36 HN SER 36 -3.340 9.485 -4.289 258 HA SER 36 HA SER 36 -4.168 11.337 -2.211 259 1HB SER 36 HB2 SER 36 -1.465 11.487 -3.562 260 2HB SER 36 HB1 SER 36 -2.196 12.836 -2.694 261 HG SER 36 HG SER 36 -0.937 10.619 -1.728 262 H ALA 37 HN ALA 37 -5.988 11.612 -3.552 263 HA ALA 37 HA ALA 37 -7.220 12.808 -5.060 264 1HB ALA 37 HB1 ALA 37 -4.803 14.039 -6.297 265 2HB ALA 37 HB2 ALA 37 -5.244 14.491 -4.650 266 3HB ALA 37 HB3 ALA 37 -6.386 14.744 -5.969 267 H SER 38 HN SER 38 -6.691 10.241 -5.659 268 HA SER 38 HA SER 38 -6.934 8.801 -7.411 269 1HB SER 38 HB2 SER 38 -6.356 10.786 -9.521 270 2HB SER 38 HB1 SER 38 -7.622 9.566 -9.438 271 HG SER 38 HG SER 38 -8.700 10.924 -7.930 272 H THR 39 HN THR 39 -4.467 11.250 -8.240 273 HA THR 39 HA THR 39 -2.708 9.268 -9.341 274 HB THR 39 HB THR 39 -2.578 11.448 -10.290 275 HG1 THR 39 HG1 THR 39 -0.320 11.217 -8.596 276 1HG2 THR 39 HG21 THR 39 -3.389 12.969 -8.752 277 2HG2 THR 39 HG22 THR 39 -1.669 13.354 -8.824 278 3HG2 THR 39 HG23 THR 39 -2.306 12.411 -7.477 279 H CYS 40 HN CYS 40 -0.958 8.299 -8.424 280 HA CYS 40 HA CYS 40 -0.871 7.951 -5.652 281 1HB CYS 40 HB2 CYS 40 0.996 7.293 -7.897 282 2HB CYS 40 HB1 CYS 40 1.540 7.082 -6.237 283 HA PRO 41 HA PRO 41 1.266 11.418 -3.995 284 1HB PRO 41 HB2 PRO 41 2.906 10.132 -2.170 285 2HB PRO 41 HB1 PRO 41 1.222 10.575 -1.885 286 1HG PRO 41 HG2 PRO 41 2.381 7.944 -2.688 287 2HG PRO 41 HG1 PRO 41 1.047 8.292 -1.572 288 1HD PRO 41 HD2 PRO 41 0.602 7.402 -4.066 289 2HD PRO 41 HD1 PRO 41 -0.480 8.577 -3.289 290 H SER 42 HN SER 42 3.723 8.857 -3.795 291 HA SER 42 HA SER 42 5.844 10.510 -4.561 292 1HB SER 42 HB2 SER 42 5.472 7.543 -4.377 293 2HB SER 42 HB1 SER 42 6.935 8.184 -5.125 294 HG SER 42 HG SER 42 5.988 8.635 -2.492 295 H ASP 43 HN ASP 43 5.049 7.667 -6.517 296 HA ASP 43 HA ASP 43 4.208 8.910 -8.845 297 1HB ASP 43 HB2 ASP 43 7.094 9.129 -8.382 298 2HB ASP 43 HB1 ASP 43 6.695 8.402 -9.935 299 H TYR 44 HN TYR 44 3.739 6.518 -7.437 300 HA TYR 44 HA TYR 44 4.851 4.420 -9.139 301 1HB TYR 44 HB2 TYR 44 2.997 3.916 -6.835 302 2HB TYR 44 HB1 TYR 44 4.242 2.867 -7.500 303 HD1 TYR 44 HD1 TYR 44 3.523 4.278 -4.610 304 HD2 TYR 44 HD2 TYR 44 6.609 4.553 -7.524 305 HE1 TYR 44 HE1 TYR 44 5.085 5.048 -2.874 306 HE2 TYR 44 HE2 TYR 44 8.180 5.323 -5.797 307 HH TYR 44 HH TYR 44 7.634 6.623 -3.260 308 HA PRO 45 HA PRO 45 0.991 4.212 -11.328 309 1HB PRO 45 HB2 PRO 45 1.576 2.223 -12.996 310 2HB PRO 45 HB1 PRO 45 2.446 3.761 -13.081 311 1HG PRO 45 HG2 PRO 45 3.312 1.153 -11.917 312 2HG PRO 45 HG1 PRO 45 4.262 2.358 -12.804 313 1HD PRO 45 HD2 PRO 45 4.153 2.068 -10.017 314 2HD PRO 45 HD1 PRO 45 4.786 3.472 -10.897 315 H LYS 46 HN LYS 46 1.463 2.480 -8.755 316 HA LYS 46 HA LYS 46 -0.503 0.403 -9.422 317 1HB LYS 46 HB2 LYS 46 1.996 0.087 -8.287 318 2HB LYS 46 HB1 LYS 46 0.916 0.038 -6.901 319 1HG LYS 46 HG2 LYS 46 1.056 -2.179 -7.514 320 2HG LYS 46 HG1 LYS 46 -0.432 -1.657 -8.305 321 1HD LYS 46 HD2 LYS 46 1.289 -1.103 -10.266 322 2HD LYS 46 HD1 LYS 46 2.188 -2.400 -9.477 323 1HE LYS 46 HE2 LYS 46 0.843 -3.400 -11.164 324 2HE LYS 46 HE1 LYS 46 0.111 -3.796 -9.609 325 1HZ LYS 46 HZ1 LYS 46 -1.739 -3.097 -10.653 326 2HZ LYS 46 HZ2 LYS 46 -0.902 -2.136 -11.765 327 3HZ LYS 46 HZ3 LYS 46 -1.191 -1.561 -10.201 Start of MODEL 18 1 1H LYS 1 HT1 LYS 1 -6.355 4.137 1.735 2 2H LYS 1 HT2 LYS 1 -7.502 4.468 0.501 3 3H LYS 1 HT3 LYS 1 -6.227 5.574 0.807 4 HA LYS 1 HA LYS 1 -5.760 2.798 -0.028 5 1HB LYS 1 HB2 LYS 1 -6.673 5.148 -1.556 6 2HB LYS 1 HB1 LYS 1 -5.253 4.361 -2.220 7 1HG LYS 1 HG2 LYS 1 -7.356 2.478 -1.508 8 2HG LYS 1 HG1 LYS 1 -7.863 3.673 -2.703 9 1HD LYS 1 HD2 LYS 1 -6.969 2.116 -4.118 10 2HD LYS 1 HD1 LYS 1 -5.514 3.050 -3.774 11 1HE LYS 1 HE2 LYS 1 -4.676 1.447 -2.306 12 2HE LYS 1 HE1 LYS 1 -6.254 0.698 -2.073 13 1HZ LYS 1 HZ1 LYS 1 -4.459 0.462 -4.432 14 2HZ LYS 1 HZ2 LYS 1 -6.082 0.010 -4.500 15 3HZ LYS 1 HZ3 LYS 1 -5.039 -0.774 -3.437 16 H SER 2 HN SER 2 -3.753 3.020 -1.516 17 HA SER 2 HA SER 2 -1.806 4.970 -1.056 18 1HB SER 2 HB2 SER 2 -1.459 2.487 0.548 19 2HB SER 2 HB1 SER 2 -0.174 3.630 0.236 20 HG SER 2 HG SER 2 -1.369 3.854 2.274 21 H CYS 3 HN CYS 3 0.389 4.079 -1.791 22 HA CYS 3 HA CYS 3 0.108 1.944 -3.694 23 1HB CYS 3 HB2 CYS 3 0.840 4.726 -4.591 24 2HB CYS 3 HB1 CYS 3 0.712 3.298 -5.597 25 H CYS 4 HN CYS 4 1.933 1.011 -4.402 26 HA CYS 4 HA CYS 4 4.500 2.000 -3.297 27 1HB CYS 4 HB2 CYS 4 3.104 -0.293 -2.564 28 2HB CYS 4 HB1 CYS 4 4.345 -0.883 -3.658 29 HA PRO 5 HA PRO 5 6.003 1.705 -7.455 30 1HB PRO 5 HB2 PRO 5 8.625 1.111 -6.919 31 2HB PRO 5 HB1 PRO 5 7.919 2.728 -6.860 32 1HG PRO 5 HG2 PRO 5 8.498 0.828 -4.634 33 2HG PRO 5 HG1 PRO 5 8.695 2.589 -4.689 34 1HD PRO 5 HD2 PRO 5 6.611 1.419 -3.435 35 2HD PRO 5 HD1 PRO 5 6.463 2.981 -4.261 36 H ASN 6 HN ASN 6 5.459 -1.091 -5.711 37 HA ASN 6 HA ASN 6 6.169 -2.687 -8.016 38 1HB ASN 6 HB2 ASN 6 7.533 -3.173 -5.363 39 2HB ASN 6 HB1 ASN 6 7.563 -4.288 -6.722 40 1HD2 ASN 6 HD21 ASN 6 8.388 -3.364 -8.774 41 2HD2 ASN 6 HD22 ASN 6 9.743 -2.297 -8.679 42 H THR 7 HN THR 7 5.108 -4.679 -8.080 43 HA THR 7 HA THR 7 2.730 -4.869 -6.575 44 HB THR 7 HB THR 7 2.571 -6.006 -8.589 45 HG1 THR 7 HG1 THR 7 1.805 -7.353 -6.938 46 1HG2 THR 7 HG21 THR 7 4.156 -7.757 -9.346 47 2HG2 THR 7 HG22 THR 7 5.230 -7.288 -8.027 48 3HG2 THR 7 HG23 THR 7 4.836 -6.131 -9.302 49 H THR 8 HN THR 8 5.986 -5.834 -6.037 50 HA THR 8 HA THR 8 5.651 -7.831 -4.086 51 HB THR 8 HB THR 8 7.911 -7.118 -3.303 52 HG1 THR 8 HG1 THR 8 8.081 -5.006 -3.571 53 1HG2 THR 8 HG21 THR 8 7.788 -8.626 -5.206 54 2HG2 THR 8 HG22 THR 8 9.154 -7.518 -5.345 55 3HG2 THR 8 HG23 THR 8 7.696 -7.245 -6.299 56 H GLY 9 HN GLY 9 5.182 -4.431 -4.119 57 1HA GLY 9 HA2 GLY 9 5.082 -4.096 -1.246 58 2HA GLY 9 HA1 GLY 9 4.687 -2.886 -2.461 59 H ARG 10 HN ARG 10 2.776 -3.895 -3.979 60 HA ARG 10 HA ARG 10 0.392 -3.598 -2.628 61 1HB ARG 10 HB2 ARG 10 0.881 -5.513 -4.923 62 2HB ARG 10 HB1 ARG 10 -0.712 -5.112 -4.315 63 1HG ARG 10 HG2 ARG 10 1.057 -2.924 -5.209 64 2HG ARG 10 HG1 ARG 10 0.344 -3.954 -6.424 65 1HD ARG 10 HD2 ARG 10 -0.754 -1.710 -5.261 66 2HD ARG 10 HD1 ARG 10 -1.553 -2.846 -6.291 67 HE ARG 10 HE ARG 10 -2.073 -3.867 -3.979 68 1HH1 ARG 10 HH11 ARG 10 -2.056 -0.544 -4.866 69 2HH1 ARG 10 HH12 ARG 10 -3.258 -0.100 -3.715 70 1HH2 ARG 10 HH21 ARG 10 -3.790 -3.335 -2.533 71 2HH2 ARG 10 HH22 ARG 10 -4.276 -1.682 -2.427 72 H ASN 11 HN ASN 11 2.124 -6.634 -3.221 73 HA ASN 11 HA ASN 11 0.384 -8.374 -2.035 74 1HB ASN 11 HB2 ASN 11 3.392 -8.515 -1.838 75 2HB ASN 11 HB1 ASN 11 2.267 -9.854 -1.783 76 1HD2 ASN 11 HD21 ASN 11 4.490 -9.407 -3.590 77 2HD2 ASN 11 HD22 ASN 11 3.828 -9.399 -5.185 78 H ILE 12 HN ILE 12 2.954 -6.537 -0.442 79 HA ILE 12 HA ILE 12 2.435 -7.630 2.103 80 HB ILE 12 HB ILE 12 4.021 -5.251 1.204 81 1HG1 ILE 12 HG12 ILE 12 5.451 -7.086 2.825 82 2HG1 ILE 12 HG11 ILE 12 4.499 -8.032 1.684 83 1HG2 ILE 12 HG21 ILE 12 3.344 -6.033 4.029 84 2HG2 ILE 12 HG22 ILE 12 3.248 -4.439 3.277 85 3HG2 ILE 12 HG23 ILE 12 4.820 -5.158 3.630 86 1HD1 ILE 12 HD11 ILE 12 5.594 -5.974 0.185 87 2HD1 ILE 12 HD12 ILE 12 6.085 -7.669 0.207 88 3HD1 ILE 12 HD13 ILE 12 6.882 -6.504 1.265 89 H TYR 13 HN TYR 13 1.519 -4.394 0.745 90 HA TYR 13 HA TYR 13 0.165 -3.766 3.149 91 1HB TYR 13 HB2 TYR 13 1.050 -2.434 0.924 92 2HB TYR 13 HB1 TYR 13 -0.689 -2.388 0.745 93 HD1 TYR 13 HD1 TYR 13 1.985 -0.629 1.930 94 HD2 TYR 13 HD2 TYR 13 -1.893 -1.853 3.168 95 HE1 TYR 13 HE1 TYR 13 1.907 1.247 3.506 96 HE2 TYR 13 HE2 TYR 13 -1.982 0.020 4.743 97 HH TYR 13 HH TYR 13 0.254 2.597 4.644 98 H ASN 14 HN ASN 14 -0.722 -5.284 0.147 99 HA ASN 14 HA ASN 14 -3.518 -5.098 0.486 100 1HB ASN 14 HB2 ASN 14 -1.854 -6.967 -1.195 101 2HB ASN 14 HB1 ASN 14 -3.582 -6.757 -1.323 102 1HD2 ASN 14 HD21 ASN 14 -1.716 -3.889 -0.651 103 2HD2 ASN 14 HD22 ASN 14 -1.751 -3.236 -2.233 104 H THR 15 HN THR 15 -1.152 -7.741 1.066 105 HA THR 15 HA THR 15 -3.191 -9.492 2.035 106 HB THR 15 HB THR 15 -1.073 -10.411 1.216 107 HG1 THR 15 HG1 THR 15 -1.012 -11.975 2.703 108 1HG2 THR 15 HG21 THR 15 0.369 -9.758 3.711 109 2HG2 THR 15 HG22 THR 15 0.286 -8.507 2.474 110 3HG2 THR 15 HG23 THR 15 0.982 -10.080 2.091 111 H CYS 16 HN CYS 16 -0.824 -7.352 3.549 112 HA CYS 16 HA CYS 16 -1.276 -7.836 6.216 113 1HB CYS 16 HB2 CYS 16 0.381 -6.252 5.755 114 2HB CYS 16 HB1 CYS 16 -0.635 -5.376 4.623 115 H ARG 17 HN ARG 17 -2.974 -5.469 4.178 116 HA ARG 17 HA ARG 17 -4.982 -4.805 6.019 117 1HB ARG 17 HB2 ARG 17 -4.483 -4.430 3.140 118 2HB ARG 17 HB1 ARG 17 -6.175 -4.400 3.600 119 1HG ARG 17 HG2 ARG 17 -4.186 -2.759 5.095 120 2HG ARG 17 HG1 ARG 17 -4.835 -2.200 3.554 121 1HD ARG 17 HD2 ARG 17 -6.478 -2.991 5.955 122 2HD ARG 17 HD1 ARG 17 -6.096 -1.336 5.490 123 HE ARG 17 HE ARG 17 -7.949 -3.150 4.154 124 1HH1 ARG 17 HH11 ARG 17 -6.317 -0.057 4.154 125 2HH1 ARG 17 HH12 ARG 17 -7.477 0.688 3.107 126 1HH2 ARG 17 HH21 ARG 17 -9.464 -2.167 2.778 127 2HH2 ARG 17 HH22 ARG 17 -9.265 -0.506 2.327 128 H LEU 18 HN LEU 18 -4.875 -7.238 3.432 129 HA LEU 18 HA LEU 18 -7.529 -8.153 3.783 130 1HB LEU 18 HB2 LEU 18 -5.122 -9.045 2.337 131 2HB LEU 18 HB1 LEU 18 -6.231 -10.323 2.783 132 HG LEU 18 HG LEU 18 -6.895 -7.901 1.114 133 1HD1 LEU 18 HD11 LEU 18 -7.234 -9.557 -0.669 134 2HD1 LEU 18 HD12 LEU 18 -6.649 -10.820 0.413 135 3HD1 LEU 18 HD13 LEU 18 -5.567 -9.523 -0.092 136 1HD2 LEU 18 HD21 LEU 18 -9.045 -9.257 0.761 137 2HD2 LEU 18 HD22 LEU 18 -8.869 -8.363 2.269 138 3HD2 LEU 18 HD23 LEU 18 -8.590 -10.104 2.240 139 H GLY 19 HN GLY 19 -4.760 -8.487 5.724 140 1HA GLY 19 HA2 GLY 19 -5.795 -10.934 6.977 141 2HA GLY 19 HA1 GLY 19 -4.164 -10.307 7.162 142 H GLY 20 HN GLY 20 -6.496 -7.851 7.295 143 1HA GLY 20 HA2 GLY 20 -7.513 -6.736 9.038 144 2HA GLY 20 HA1 GLY 20 -7.138 -8.099 10.077 145 H GLY 21 HN GLY 21 -5.108 -5.880 8.194 146 1HA GLY 21 HA2 GLY 21 -3.789 -5.099 10.708 147 2HA GLY 21 HA1 GLY 21 -2.860 -5.515 9.278 148 H SER 22 HN SER 22 -4.018 -3.035 11.034 149 HA SER 22 HA SER 22 -5.059 -1.139 9.375 150 1HB SER 22 HB2 SER 22 -2.885 -0.262 11.224 151 2HB SER 22 HB1 SER 22 -4.479 0.438 10.954 152 HG SER 22 HG SER 22 -3.712 -1.653 12.627 153 H ARG 23 HN ARG 23 -4.013 0.769 8.379 154 HA ARG 23 HA ARG 23 -2.283 -0.010 6.356 155 1HB ARG 23 HB2 ARG 23 -3.513 2.486 7.296 156 2HB ARG 23 HB1 ARG 23 -2.041 2.695 6.373 157 1HG ARG 23 HG2 ARG 23 -2.984 1.545 4.489 158 2HG ARG 23 HG1 ARG 23 -4.419 1.118 5.424 159 1HD ARG 23 HD2 ARG 23 -3.640 3.706 4.198 160 2HD ARG 23 HD1 ARG 23 -5.222 2.943 4.304 161 HE ARG 23 HE ARG 23 -4.048 4.777 6.173 162 1HH1 ARG 23 HH11 ARG 23 -6.439 2.254 5.771 163 2HH1 ARG 23 HH12 ARG 23 -7.326 2.710 7.190 164 1HH2 ARG 23 HH21 ARG 23 -5.207 5.361 8.023 165 2HH2 ARG 23 HH22 ARG 23 -6.624 4.470 8.469 166 H GLU 24 HN GLU 24 -1.665 1.397 9.465 167 HA GLU 24 HA GLU 24 1.014 2.179 8.966 168 1HB GLU 24 HB2 GLU 24 1.103 1.975 11.581 169 2HB GLU 24 HB1 GLU 24 0.113 3.224 10.835 170 1HG GLU 24 HG2 GLU 24 -1.855 2.180 11.359 171 2HG GLU 24 HG1 GLU 24 -1.115 0.584 11.431 172 H ARG 25 HN ARG 25 -0.465 -0.799 10.072 173 HA ARG 25 HA ARG 25 1.841 -2.090 10.983 174 1HB ARG 25 HB2 ARG 25 -0.524 -2.876 11.304 175 2HB ARG 25 HB1 ARG 25 -0.519 -3.410 9.630 176 1HG ARG 25 HG2 ARG 25 0.513 -5.304 10.154 177 2HG ARG 25 HG1 ARG 25 1.762 -4.448 11.060 178 1HD ARG 25 HD2 ARG 25 0.812 -4.933 13.023 179 2HD ARG 25 HD1 ARG 25 -0.793 -4.494 12.449 180 HE ARG 25 HE ARG 25 -1.225 -6.710 12.144 181 1HH1 ARG 25 HH11 ARG 25 2.236 -6.274 12.169 182 2HH1 ARG 25 HH12 ARG 25 2.576 -7.972 12.143 183 1HH2 ARG 25 HH21 ARG 25 -0.779 -8.949 12.118 184 2HH2 ARG 25 HH22 ARG 25 0.866 -9.490 12.113 185 H CYS 26 HN CYS 26 0.346 -2.120 7.752 186 HA CYS 26 HA CYS 26 2.411 -3.712 6.594 187 1HB CYS 26 HB2 CYS 26 1.020 -2.059 4.643 188 2HB CYS 26 HB1 CYS 26 1.091 -3.806 4.789 189 H ALA 27 HN ALA 27 1.791 -0.225 6.792 190 HA ALA 27 HA ALA 27 3.744 0.617 4.990 191 1HB ALA 27 HB1 ALA 27 2.137 2.185 5.845 192 2HB ALA 27 HB2 ALA 27 3.754 2.754 6.256 193 3HB ALA 27 HB3 ALA 27 2.750 1.989 7.488 194 H SER 28 HN SER 28 4.026 -0.250 8.409 195 HA SER 28 HA SER 28 6.774 0.459 8.624 196 1HB SER 28 HB2 SER 28 6.639 -1.113 10.662 197 2HB SER 28 HB1 SER 28 5.606 0.316 10.673 198 HG SER 28 HG SER 28 4.468 -1.588 11.262 199 H LEU 29 HN LEU 29 5.027 -2.388 7.628 200 HA LEU 29 HA LEU 29 7.183 -4.225 7.734 201 1HB LEU 29 HB2 LEU 29 4.452 -4.348 7.281 202 2HB LEU 29 HB1 LEU 29 5.148 -4.848 5.753 203 HG LEU 29 HG LEU 29 6.014 -6.101 8.345 204 1HD1 LEU 29 HD11 LEU 29 3.765 -7.025 6.565 205 2HD1 LEU 29 HD12 LEU 29 3.569 -6.304 8.162 206 3HD1 LEU 29 HD13 LEU 29 4.388 -7.856 7.991 207 1HD2 LEU 29 HD21 LEU 29 6.029 -7.061 5.485 208 2HD2 LEU 29 HD22 LEU 29 6.634 -7.952 6.881 209 3HD2 LEU 29 HD23 LEU 29 7.425 -6.458 6.378 210 H SER 30 HN SER 30 5.701 -2.505 4.968 211 HA SER 30 HA SER 30 7.997 -3.339 3.354 212 1HB SER 30 HB2 SER 30 5.249 -3.353 2.819 213 2HB SER 30 HB1 SER 30 5.906 -2.060 1.819 214 HG SER 30 HG SER 30 7.387 -3.545 0.968 215 H GLY 31 HN GLY 31 5.917 -0.412 3.413 216 1HA GLY 31 HA2 GLY 31 6.914 1.774 3.868 217 2HA GLY 31 HA1 GLY 31 8.395 1.183 3.127 218 H CYS 32 HN CYS 32 4.996 1.776 2.418 219 HA CYS 32 HA CYS 32 5.607 2.201 -0.415 220 1HB CYS 32 HB2 CYS 32 3.048 1.708 1.107 221 2HB CYS 32 HB1 CYS 32 3.135 1.978 -0.629 222 H LYS 33 HN LYS 33 3.341 3.702 -1.028 223 HA LYS 33 HA LYS 33 3.956 6.277 0.236 224 1HB LYS 33 HB2 LYS 33 4.849 5.881 -2.123 225 2HB LYS 33 HB1 LYS 33 3.178 5.927 -2.653 226 1HG LYS 33 HG2 LYS 33 4.492 8.062 -2.895 227 2HG LYS 33 HG1 LYS 33 2.943 8.191 -2.063 228 1HD LYS 33 HD2 LYS 33 5.446 7.756 -0.486 229 2HD LYS 33 HD1 LYS 33 5.058 9.369 -1.085 230 1HE LYS 33 HE2 LYS 33 2.704 8.286 0.061 231 2HE LYS 33 HE1 LYS 33 4.024 8.016 1.198 232 1HZ LYS 33 HZ1 LYS 33 4.554 10.381 1.055 233 2HZ LYS 33 HZ2 LYS 33 2.969 10.139 1.591 234 3HZ LYS 33 HZ3 LYS 33 3.256 10.623 -0.002 235 H ILE 34 HN ILE 34 2.227 6.724 1.462 236 HA ILE 34 HA ILE 34 -0.402 5.832 0.880 237 HB ILE 34 HB ILE 34 0.727 6.552 3.150 238 1HG1 ILE 34 HG12 ILE 34 -1.938 7.410 3.537 239 2HG1 ILE 34 HG11 ILE 34 -1.981 6.209 2.253 240 1HG2 ILE 34 HG21 ILE 34 -0.734 9.082 2.437 241 2HG2 ILE 34 HG22 ILE 34 1.018 8.908 2.377 242 3HG2 ILE 34 HG23 ILE 34 0.167 8.738 3.912 243 1HD1 ILE 34 HD11 ILE 34 -1.921 4.638 3.812 244 2HD1 ILE 34 HD12 ILE 34 -1.692 5.846 5.072 245 3HD1 ILE 34 HD13 ILE 34 -0.293 5.169 4.238 246 H ILE 35 HN ILE 35 -1.984 6.718 -0.266 247 HA ILE 35 HA ILE 35 -1.626 8.812 -2.075 248 HB ILE 35 HB ILE 35 -4.338 8.104 -0.982 249 1HG1 ILE 35 HG12 ILE 35 -3.200 5.994 -1.404 250 2HG1 ILE 35 HG11 ILE 35 -4.423 6.279 -2.636 251 1HG2 ILE 35 HG21 ILE 35 -4.581 9.800 -2.529 252 2HG2 ILE 35 HG22 ILE 35 -4.812 8.356 -3.506 253 3HG2 ILE 35 HG23 ILE 35 -3.269 9.204 -3.544 254 1HD1 ILE 35 HD11 ILE 35 -1.996 7.403 -3.544 255 2HD1 ILE 35 HD12 ILE 35 -2.906 6.046 -4.202 256 3HD1 ILE 35 HD13 ILE 35 -1.667 5.768 -2.975 257 H SER 36 HN SER 36 -2.945 10.798 -2.224 258 HA SER 36 HA SER 36 -3.617 12.073 0.311 259 1HB SER 36 HB2 SER 36 -1.184 12.594 -0.356 260 2HB SER 36 HB1 SER 36 -1.877 13.527 -1.680 261 HG SER 36 HG SER 36 -1.393 14.614 0.439 262 H ALA 37 HN ALA 37 -5.299 11.060 -1.590 263 HA ALA 37 HA ALA 37 -7.135 13.047 -2.070 264 1HB ALA 37 HB1 ALA 37 -5.180 12.717 -4.313 265 2HB ALA 37 HB2 ALA 37 -5.884 14.194 -3.652 266 3HB ALA 37 HB3 ALA 37 -6.860 13.125 -4.658 267 H SER 38 HN SER 38 -5.732 10.399 -3.984 268 HA SER 38 HA SER 38 -7.490 8.409 -3.333 269 1HB SER 38 HB2 SER 38 -8.749 10.383 -5.047 270 2HB SER 38 HB1 SER 38 -8.738 8.792 -5.809 271 HG SER 38 HG SER 38 -9.981 8.008 -4.245 272 H THR 39 HN THR 39 -6.417 9.777 -6.450 273 HA THR 39 HA THR 39 -5.644 7.221 -7.470 274 HB THR 39 HB THR 39 -4.939 9.991 -8.467 275 HG1 THR 39 HG1 THR 39 -7.100 9.848 -8.614 276 1HG2 THR 39 HG21 THR 39 -4.871 7.339 -9.883 277 2HG2 THR 39 HG22 THR 39 -3.489 8.361 -9.486 278 3HG2 THR 39 HG23 THR 39 -4.688 8.913 -10.657 279 H CYS 40 HN CYS 40 -3.521 6.440 -7.900 280 HA CYS 40 HA CYS 40 -1.690 6.668 -5.851 281 1HB CYS 40 HB2 CYS 40 -1.388 5.784 -8.708 282 2HB CYS 40 HB1 CYS 40 -0.041 5.729 -7.573 283 HA PRO 41 HA PRO 41 0.619 10.353 -6.495 284 1HB PRO 41 HB2 PRO 41 3.095 9.590 -5.651 285 2HB PRO 41 HB1 PRO 41 1.750 9.914 -4.553 286 1HG PRO 41 HG2 PRO 41 2.833 7.307 -5.509 287 2HG PRO 41 HG1 PRO 41 2.200 7.746 -3.915 288 1HD PRO 41 HD2 PRO 41 0.782 6.332 -5.778 289 2HD PRO 41 HD1 PRO 41 0.038 7.344 -4.527 290 H SER 42 HN SER 42 3.287 8.112 -7.126 291 HA SER 42 HA SER 42 4.073 9.512 -9.452 292 1HB SER 42 HB2 SER 42 5.856 7.982 -9.603 293 2HB SER 42 HB1 SER 42 5.500 8.029 -7.877 294 HG SER 42 HG SER 42 5.624 5.906 -9.303 295 H ASP 43 HN ASP 43 2.844 6.199 -9.100 296 HA ASP 43 HA ASP 43 0.896 6.229 -11.041 297 1HB ASP 43 HB2 ASP 43 2.032 5.050 -12.948 298 2HB ASP 43 HB1 ASP 43 2.510 6.733 -12.745 299 H TYR 44 HN TYR 44 3.227 4.494 -9.175 300 HA TYR 44 HA TYR 44 2.403 1.869 -9.803 301 1HB TYR 44 HB2 TYR 44 3.539 1.328 -7.596 302 2HB TYR 44 HB1 TYR 44 4.540 2.081 -8.825 303 HD1 TYR 44 HD1 TYR 44 2.477 2.969 -5.818 304 HD2 TYR 44 HD2 TYR 44 5.830 3.915 -8.257 305 HE1 TYR 44 HE1 TYR 44 3.127 4.742 -4.243 306 HE2 TYR 44 HE2 TYR 44 6.492 5.679 -6.679 307 HH TYR 44 HH TYR 44 6.060 6.075 -4.090 308 HA PRO 45 HA PRO 45 -1.461 1.575 -7.525 309 1HB PRO 45 HB2 PRO 45 -1.530 -1.128 -7.221 310 2HB PRO 45 HB1 PRO 45 -1.929 -0.304 -8.734 311 1HG PRO 45 HG2 PRO 45 0.627 -1.622 -7.907 312 2HG PRO 45 HG1 PRO 45 -0.221 -1.716 -9.459 313 1HD PRO 45 HD2 PRO 45 1.915 -0.111 -9.121 314 2HD PRO 45 HD1 PRO 45 0.550 0.357 -10.154 315 H LYS 46 HN LYS 46 0.939 -0.752 -6.392 316 HA LYS 46 HA LYS 46 1.380 0.344 -3.860 317 1HB LYS 46 HB2 LYS 46 -0.949 -0.689 -3.604 318 2HB LYS 46 HB1 LYS 46 -0.082 -2.208 -3.568 319 1HG LYS 46 HG2 LYS 46 0.490 -1.906 -1.470 320 2HG LYS 46 HG1 LYS 46 1.126 -0.297 -1.817 321 1HD LYS 46 HD2 LYS 46 -1.397 0.354 -1.897 322 2HD LYS 46 HD1 LYS 46 -1.596 -1.114 -0.933 323 1HE LYS 46 HE2 LYS 46 0.380 -0.083 0.429 324 2HE LYS 46 HE1 LYS 46 -0.189 1.422 -0.279 325 1HZ LYS 46 HZ1 LYS 46 -1.919 -0.467 1.211 326 2HZ LYS 46 HZ2 LYS 46 -2.342 1.066 0.658 327 3HZ LYS 46 HZ3 LYS 46 -1.203 0.895 1.901 Start of MODEL 19 1 1H LYS 1 HT1 LYS 1 -7.456 1.456 -1.557 2 2H LYS 1 HT2 LYS 1 -6.955 -0.167 -1.321 3 3H LYS 1 HT3 LYS 1 -8.304 0.180 -2.324 4 HA LYS 1 HA LYS 1 -6.571 -0.280 -3.749 5 1HB LYS 1 HB2 LYS 1 -7.753 2.297 -3.518 6 2HB LYS 1 HB1 LYS 1 -6.095 2.525 -4.058 7 1HG LYS 1 HG2 LYS 1 -7.599 0.409 -5.444 8 2HG LYS 1 HG1 LYS 1 -8.172 2.058 -5.704 9 1HD LYS 1 HD2 LYS 1 -6.561 1.519 -7.407 10 2HD LYS 1 HD1 LYS 1 -5.855 2.711 -6.314 11 1HE LYS 1 HE2 LYS 1 -4.210 1.327 -5.716 12 2HE LYS 1 HE1 LYS 1 -5.330 -0.007 -5.449 13 1HZ LYS 1 HZ1 LYS 1 -4.378 -0.908 -7.238 14 2HZ LYS 1 HZ2 LYS 1 -3.649 0.540 -7.710 15 3HZ LYS 1 HZ3 LYS 1 -5.244 0.212 -8.154 16 H SER 2 HN SER 2 -5.493 2.385 -1.636 17 HA SER 2 HA SER 2 -3.439 2.981 -0.860 18 1HB SER 2 HB2 SER 2 -2.094 1.266 0.073 19 2HB SER 2 HB1 SER 2 -3.751 0.672 0.179 20 HG SER 2 HG SER 2 -1.626 -0.312 -1.227 21 H CYS 3 HN CYS 3 -1.038 2.903 -1.305 22 HA CYS 3 HA CYS 3 -0.598 2.629 -4.207 23 1HB CYS 3 HB2 CYS 3 -0.680 4.983 -3.415 24 2HB CYS 3 HB1 CYS 3 0.681 4.642 -2.353 25 H CYS 4 HN CYS 4 1.312 1.741 -4.909 26 HA CYS 4 HA CYS 4 3.430 1.086 -3.063 27 1HB CYS 4 HB2 CYS 4 1.753 -1.084 -4.337 28 2HB CYS 4 HB1 CYS 4 3.338 -1.365 -3.628 29 HA PRO 5 HA PRO 5 5.507 1.606 -6.934 30 1HB PRO 5 HB2 PRO 5 8.019 1.103 -6.175 31 2HB PRO 5 HB1 PRO 5 7.144 2.526 -5.599 32 1HG PRO 5 HG2 PRO 5 7.668 -0.068 -4.211 33 2HG PRO 5 HG1 PRO 5 7.728 1.579 -3.561 34 1HD PRO 5 HD2 PRO 5 5.598 -0.148 -3.256 35 2HD PRO 5 HD1 PRO 5 5.482 1.618 -3.152 36 H ASN 6 HN ASN 6 4.753 -1.360 -5.807 37 HA ASN 6 HA ASN 6 5.183 -2.783 -8.091 38 1HB ASN 6 HB2 ASN 6 7.229 -4.204 -7.355 39 2HB ASN 6 HB1 ASN 6 7.514 -2.639 -8.110 40 1HD2 ASN 6 HD21 ASN 6 9.526 -2.423 -7.163 41 2HD2 ASN 6 HD22 ASN 6 9.728 -2.085 -5.480 42 H THR 7 HN THR 7 5.300 -5.227 -7.727 43 HA THR 7 HA THR 7 3.225 -6.005 -6.052 44 HB THR 7 HB THR 7 3.696 -7.447 -7.834 45 HG1 THR 7 HG1 THR 7 4.209 -9.431 -6.810 46 1HG2 THR 7 HG21 THR 7 6.012 -8.719 -7.717 47 2HG2 THR 7 HG22 THR 7 6.521 -7.192 -6.997 48 3HG2 THR 7 HG23 THR 7 5.808 -7.212 -8.610 49 H THR 8 HN THR 8 6.693 -5.883 -5.434 50 HA THR 8 HA THR 8 6.802 -7.440 -3.128 51 HB THR 8 HB THR 8 8.679 -5.778 -2.469 52 HG1 THR 8 HG1 THR 8 7.813 -4.177 -4.011 53 1HG2 THR 8 HG21 THR 8 8.894 -8.031 -3.692 54 2HG2 THR 8 HG22 THR 8 10.237 -6.889 -3.762 55 3HG2 THR 8 HG23 THR 8 9.139 -7.045 -5.134 56 H GLY 9 HN GLY 9 5.401 -4.340 -3.645 57 1HA GLY 9 HA2 GLY 9 5.170 -3.877 -0.751 58 2HA GLY 9 HA1 GLY 9 4.865 -2.683 -2.008 59 H ARG 10 HN ARG 10 3.346 -4.469 -3.667 60 HA ARG 10 HA ARG 10 0.759 -4.001 -2.657 61 1HB ARG 10 HB2 ARG 10 1.483 -6.015 -4.784 62 2HB ARG 10 HB1 ARG 10 -0.044 -5.171 -4.586 63 1HG ARG 10 HG2 ARG 10 2.333 -3.478 -4.970 64 2HG ARG 10 HG1 ARG 10 1.828 -4.454 -6.350 65 1HD ARG 10 HD2 ARG 10 -0.344 -3.072 -4.950 66 2HD ARG 10 HD1 ARG 10 0.827 -2.005 -5.718 67 HE ARG 10 HE ARG 10 -1.201 -3.336 -7.028 68 1HH1 ARG 10 HH11 ARG 10 2.249 -2.885 -7.391 69 2HH1 ARG 10 HH12 ARG 10 2.230 -3.191 -9.094 70 1HH2 ARG 10 HH21 ARG 10 -1.216 -3.720 -9.268 71 2HH2 ARG 10 HH22 ARG 10 0.267 -3.658 -10.160 72 H ASN 11 HN ASN 11 2.749 -6.931 -2.803 73 HA ASN 11 HA ASN 11 0.863 -8.747 -1.884 74 1HB ASN 11 HB2 ASN 11 2.925 -10.008 -1.077 75 2HB ASN 11 HB1 ASN 11 2.861 -9.612 -2.778 76 1HD2 ASN 11 HD21 ASN 11 5.236 -10.182 -2.185 77 2HD2 ASN 11 HD22 ASN 11 6.242 -8.814 -1.867 78 H ILE 12 HN ILE 12 3.478 -7.309 0.085 79 HA ILE 12 HA ILE 12 2.444 -8.203 2.516 80 HB ILE 12 HB ILE 12 4.171 -5.795 1.950 81 1HG1 ILE 12 HG12 ILE 12 5.719 -7.551 3.299 82 2HG1 ILE 12 HG11 ILE 12 4.630 -8.671 2.487 83 1HG2 ILE 12 HG21 ILE 12 4.718 -6.220 4.500 84 2HG2 ILE 12 HG22 ILE 12 3.059 -6.819 4.511 85 3HG2 ILE 12 HG23 ILE 12 3.395 -5.163 4.005 86 1HD1 ILE 12 HD11 ILE 12 6.847 -7.172 1.436 87 2HD1 ILE 12 HD12 ILE 12 5.371 -6.866 0.524 88 3HD1 ILE 12 HD13 ILE 12 5.953 -8.516 0.725 89 H TYR 13 HN TYR 13 1.863 -5.111 0.860 90 HA TYR 13 HA TYR 13 0.260 -4.014 2.900 91 1HB TYR 13 HB2 TYR 13 1.338 -2.928 0.784 92 2HB TYR 13 HB1 TYR 13 -0.182 -3.365 0.014 93 HD1 TYR 13 HD1 TYR 13 1.509 -0.988 2.071 94 HD2 TYR 13 HD2 TYR 13 -2.340 -2.498 1.076 95 HE1 TYR 13 HE1 TYR 13 0.481 1.054 2.975 96 HE2 TYR 13 HE2 TYR 13 -3.379 -0.460 1.978 97 HH TYR 13 HH TYR 13 -1.734 2.327 2.575 98 H ASN 14 HN ASN 14 -0.489 -6.037 0.121 99 HA ASN 14 HA ASN 14 -3.303 -5.883 0.390 100 1HB ASN 14 HB2 ASN 14 -1.391 -7.576 -1.154 101 2HB ASN 14 HB1 ASN 14 -3.052 -8.114 -0.996 102 1HD2 ASN 14 HD21 ASN 14 -1.525 -4.934 -1.475 103 2HD2 ASN 14 HD22 ASN 14 -2.453 -4.513 -2.871 104 H THR 15 HN THR 15 -0.988 -8.522 1.190 105 HA THR 15 HA THR 15 -2.917 -10.122 2.475 106 HB THR 15 HB THR 15 -0.949 -11.247 1.919 107 HG1 THR 15 HG1 THR 15 -0.749 -12.247 3.741 108 1HG2 THR 15 HG21 THR 15 1.141 -10.224 3.445 109 2HG2 THR 15 HG22 THR 15 0.388 -8.825 2.681 110 3HG2 THR 15 HG23 THR 15 0.966 -10.166 1.692 111 H CYS 16 HN CYS 16 -0.807 -7.562 3.652 112 HA CYS 16 HA CYS 16 -1.247 -7.823 6.393 113 1HB CYS 16 HB2 CYS 16 0.420 -6.291 5.710 114 2HB CYS 16 HB1 CYS 16 -0.674 -5.457 4.617 115 H ARG 17 HN ARG 17 -2.959 -5.778 4.038 116 HA ARG 17 HA ARG 17 -4.980 -4.877 5.764 117 1HB ARG 17 HB2 ARG 17 -4.410 -4.847 2.917 118 2HB ARG 17 HB1 ARG 17 -6.129 -5.049 3.222 119 1HG ARG 17 HG2 ARG 17 -4.789 -2.951 4.797 120 2HG ARG 17 HG1 ARG 17 -4.903 -2.663 3.059 121 1HD ARG 17 HD2 ARG 17 -7.244 -3.433 4.792 122 2HD ARG 17 HD1 ARG 17 -6.815 -1.766 4.410 123 HE ARG 17 HE ARG 17 -7.039 -3.199 2.015 124 1HH1 ARG 17 HH11 ARG 17 -9.057 -2.053 4.621 125 2HH1 ARG 17 HH12 ARG 17 -10.471 -1.910 3.630 126 1HH2 ARG 17 HH21 ARG 17 -8.896 -3.011 0.710 127 2HH2 ARG 17 HH22 ARG 17 -10.379 -2.454 1.410 128 H LEU 18 HN LEU 18 -4.593 -7.824 3.940 129 HA LEU 18 HA LEU 18 -7.204 -8.774 3.948 130 1HB LEU 18 HB2 LEU 18 -6.270 -10.568 2.966 131 2HB LEU 18 HB1 LEU 18 -4.764 -9.686 3.080 132 HG LEU 18 HG LEU 18 -4.491 -10.803 5.360 133 1HD1 LEU 18 HD11 LEU 18 -6.940 -12.077 4.383 134 2HD1 LEU 18 HD12 LEU 18 -6.311 -11.933 6.025 135 3HD1 LEU 18 HD13 LEU 18 -5.711 -13.205 4.959 136 1HD2 LEU 18 HD21 LEU 18 -4.079 -13.081 3.849 137 2HD2 LEU 18 HD22 LEU 18 -2.939 -11.757 4.079 138 3HD2 LEU 18 HD23 LEU 18 -3.999 -11.772 2.670 139 H GLY 19 HN GLY 19 -4.894 -8.512 6.495 140 1HA GLY 19 HA2 GLY 19 -6.451 -10.262 8.247 141 2HA GLY 19 HA1 GLY 19 -4.875 -9.575 8.610 142 H GLY 20 HN GLY 20 -6.761 -7.184 7.282 143 1HA GLY 20 HA2 GLY 20 -7.828 -5.353 8.146 144 2HA GLY 20 HA1 GLY 20 -8.452 -6.428 9.387 145 H GLY 21 HN GLY 21 -5.124 -5.355 8.645 146 1HA GLY 21 HA2 GLY 21 -4.871 -4.608 11.465 147 2HA GLY 21 HA1 GLY 21 -3.539 -4.954 10.370 148 H SER 22 HN SER 22 -2.662 -2.960 11.173 149 HA SER 22 HA SER 22 -3.946 -0.471 10.655 150 1HB SER 22 HB2 SER 22 -1.092 -0.180 10.806 151 2HB SER 22 HB1 SER 22 -2.329 0.344 11.945 152 HG SER 22 HG SER 22 -2.280 -1.775 12.833 153 H ARG 23 HN ARG 23 -3.460 1.072 9.134 154 HA ARG 23 HA ARG 23 -2.920 0.064 6.527 155 1HB ARG 23 HB2 ARG 23 -3.963 2.487 7.684 156 2HB ARG 23 HB1 ARG 23 -2.778 2.870 6.444 157 1HG ARG 23 HG2 ARG 23 -4.021 1.875 4.764 158 2HG ARG 23 HG1 ARG 23 -4.948 0.890 5.897 159 1HD ARG 23 HD2 ARG 23 -6.339 2.630 6.481 160 2HD ARG 23 HD1 ARG 23 -5.158 3.862 6.038 161 HE ARG 23 HE ARG 23 -6.035 3.870 3.934 162 1HH1 ARG 23 HH11 ARG 23 -6.978 0.901 5.504 163 2HH1 ARG 23 HH12 ARG 23 -8.017 0.402 4.212 164 1HH2 ARG 23 HH21 ARG 23 -7.402 3.217 2.233 165 2HH2 ARG 23 HH22 ARG 23 -8.258 1.716 2.354 166 H GLU 24 HN GLU 24 -1.242 2.171 8.756 167 HA GLU 24 HA GLU 24 1.032 2.618 7.112 168 1HB GLU 24 HB2 GLU 24 2.001 3.218 9.516 169 2HB GLU 24 HB1 GLU 24 0.881 4.279 8.671 170 1HG GLU 24 HG2 GLU 24 -0.908 3.674 10.015 171 2HG GLU 24 HG1 GLU 24 -0.131 2.185 10.548 172 H ARG 25 HN ARG 25 0.150 0.090 9.335 173 HA ARG 25 HA ARG 25 2.658 -0.873 10.053 174 1HB ARG 25 HB2 ARG 25 0.546 -1.680 11.030 175 2HB ARG 25 HB1 ARG 25 0.150 -2.471 9.510 176 1HG ARG 25 HG2 ARG 25 1.963 -4.003 9.750 177 2HG ARG 25 HG1 ARG 25 2.588 -3.122 11.146 178 1HD ARG 25 HD2 ARG 25 1.002 -3.956 12.556 179 2HD ARG 25 HD1 ARG 25 -0.205 -4.110 11.281 180 HE ARG 25 HE ARG 25 0.483 -6.259 10.968 181 1HH1 ARG 25 HH11 ARG 25 3.027 -4.524 12.609 182 2HH1 ARG 25 HH12 ARG 25 4.009 -5.931 12.838 183 1HH2 ARG 25 HH21 ARG 25 1.774 -8.110 11.270 184 2HH2 ARG 25 HH22 ARG 25 3.299 -7.968 12.077 185 H CYS 26 HN CYS 26 0.654 -1.746 7.264 186 HA CYS 26 HA CYS 26 2.590 -3.522 6.158 187 1HB CYS 26 HB2 CYS 26 0.796 -2.422 4.156 188 2HB CYS 26 HB1 CYS 26 0.973 -4.078 4.712 189 H ALA 27 HN ALA 27 1.744 -0.145 5.635 190 HA ALA 27 HA ALA 27 3.331 0.354 3.397 191 1HB ALA 27 HB1 ALA 27 1.584 1.855 4.551 192 2HB ALA 27 HB2 ALA 27 2.984 2.622 3.801 193 3HB ALA 27 HB3 ALA 27 2.932 2.401 5.550 194 H SER 28 HN SER 28 4.130 0.607 6.850 195 HA SER 28 HA SER 28 6.796 1.475 6.406 196 1HB SER 28 HB2 SER 28 7.101 0.840 8.835 197 2HB SER 28 HB1 SER 28 5.797 1.983 8.520 198 HG SER 28 HG SER 28 5.687 -0.523 9.563 199 H LEU 29 HN LEU 29 5.250 -1.638 6.714 200 HA LEU 29 HA LEU 29 7.610 -3.165 7.104 201 1HB LEU 29 HB2 LEU 29 4.827 -3.636 7.000 202 2HB LEU 29 HB1 LEU 29 5.559 -4.693 5.809 203 HG LEU 29 HG LEU 29 6.495 -4.562 8.671 204 1HD1 LEU 29 HD11 LEU 29 4.665 -6.644 7.509 205 2HD1 LEU 29 HD12 LEU 29 4.077 -5.247 8.412 206 3HD1 LEU 29 HD13 LEU 29 5.137 -6.420 9.193 207 1HD2 LEU 29 HD21 LEU 29 6.966 -6.463 6.385 208 2HD2 LEU 29 HD22 LEU 29 7.369 -6.839 8.060 209 3HD2 LEU 29 HD23 LEU 29 8.155 -5.485 7.246 210 H SER 30 HN SER 30 5.592 -2.640 4.195 211 HA SER 30 HA SER 30 7.665 -3.876 2.568 212 1HB SER 30 HB2 SER 30 4.852 -3.705 2.388 213 2HB SER 30 HB1 SER 30 5.498 -2.824 1.003 214 HG SER 30 HG SER 30 6.870 -4.759 0.706 215 H GLY 31 HN GLY 31 6.374 -0.730 3.287 216 1HA GLY 31 HA2 GLY 31 7.605 1.266 2.940 217 2HA GLY 31 HA1 GLY 31 8.504 0.460 1.662 218 H CYS 32 HN CYS 32 5.039 0.277 1.893 219 HA CYS 32 HA CYS 32 4.734 1.353 -0.752 220 1HB CYS 32 HB2 CYS 32 2.889 0.201 1.315 221 2HB CYS 32 HB1 CYS 32 2.233 1.022 -0.091 222 H LYS 33 HN LYS 33 2.555 2.797 -0.869 223 HA LYS 33 HA LYS 33 3.071 5.138 0.838 224 1HB LYS 33 HB2 LYS 33 2.954 4.850 -2.047 225 2HB LYS 33 HB1 LYS 33 1.806 6.053 -1.475 226 1HG LYS 33 HG2 LYS 33 3.980 7.022 -2.072 227 2HG LYS 33 HG1 LYS 33 3.573 7.273 -0.372 228 1HD LYS 33 HD2 LYS 33 5.027 4.800 -0.762 229 2HD LYS 33 HD1 LYS 33 5.925 6.183 -1.390 230 1HE LYS 33 HE2 LYS 33 4.671 6.592 1.238 231 2HE LYS 33 HE1 LYS 33 5.950 5.379 1.199 232 1HZ LYS 33 HZ1 LYS 33 6.334 8.062 0.021 233 2HZ LYS 33 HZ2 LYS 33 7.510 6.942 0.496 234 3HZ LYS 33 HZ3 LYS 33 6.613 7.773 1.665 235 H ILE 34 HN ILE 34 1.395 5.994 1.909 236 HA ILE 34 HA ILE 34 -1.245 4.802 1.454 237 HB ILE 34 HB ILE 34 -0.286 4.421 3.686 238 1HG1 ILE 34 HG12 ILE 34 -2.302 5.906 4.834 239 2HG1 ILE 34 HG11 ILE 34 -2.831 5.775 3.159 240 1HG2 ILE 34 HG21 ILE 34 -0.667 7.175 4.605 241 2HG2 ILE 34 HG22 ILE 34 0.688 6.956 3.499 242 3HG2 ILE 34 HG23 ILE 34 0.602 6.013 4.987 243 1HD1 ILE 34 HD11 ILE 34 -1.896 3.314 4.523 244 2HD1 ILE 34 HD12 ILE 34 -3.138 3.526 3.288 245 3HD1 ILE 34 HD13 ILE 34 -3.472 3.974 4.961 246 H ILE 35 HN ILE 35 -2.501 6.072 0.237 247 HA ILE 35 HA ILE 35 -2.311 8.982 0.597 248 HB ILE 35 HB ILE 35 -3.527 7.412 -1.683 249 1HG1 ILE 35 HG12 ILE 35 -1.617 8.536 -2.943 250 2HG1 ILE 35 HG11 ILE 35 -0.944 8.941 -1.367 251 1HG2 ILE 35 HG21 ILE 35 -3.757 10.209 -0.890 252 2HG2 ILE 35 HG22 ILE 35 -4.713 9.275 -2.040 253 3HG2 ILE 35 HG23 ILE 35 -3.185 9.999 -2.544 254 1HD1 ILE 35 HD11 ILE 35 -1.652 6.110 -1.905 255 2HD1 ILE 35 HD12 ILE 35 -0.364 6.789 -0.910 256 3HD1 ILE 35 HD13 ILE 35 -0.210 6.782 -2.667 257 H SER 36 HN SER 36 -5.190 7.739 -0.878 258 HA SER 36 HA SER 36 -6.897 7.184 1.162 259 1HB SER 36 HB2 SER 36 -6.236 10.072 1.084 260 2HB SER 36 HB1 SER 36 -7.949 9.680 1.233 261 HG SER 36 HG SER 36 -6.100 9.642 3.123 262 H ALA 37 HN ALA 37 -6.628 6.657 -1.580 263 HA ALA 37 HA ALA 37 -9.274 6.747 -2.448 264 1HB ALA 37 HB1 ALA 37 -7.548 8.950 -3.539 265 2HB ALA 37 HB2 ALA 37 -9.150 9.066 -2.810 266 3HB ALA 37 HB3 ALA 37 -8.958 8.339 -4.405 267 H SER 38 HN SER 38 -6.438 7.460 -4.436 268 HA SER 38 HA SER 38 -5.846 4.777 -5.101 269 1HB SER 38 HB2 SER 38 -7.986 6.058 -6.609 270 2HB SER 38 HB1 SER 38 -6.672 5.507 -7.647 271 HG SER 38 HG SER 38 -8.474 4.052 -6.130 272 H THR 39 HN THR 39 -5.837 8.141 -6.190 273 HA THR 39 HA THR 39 -3.731 8.091 -7.976 274 HB THR 39 HB THR 39 -4.921 10.112 -7.800 275 HG1 THR 39 HG1 THR 39 -2.820 10.643 -8.158 276 1HG2 THR 39 HG21 THR 39 -5.887 10.114 -5.673 277 2HG2 THR 39 HG22 THR 39 -4.803 11.505 -5.683 278 3HG2 THR 39 HG23 THR 39 -4.322 10.018 -4.867 279 H CYS 40 HN CYS 40 -1.570 7.920 -7.849 280 HA CYS 40 HA CYS 40 -0.421 7.419 -5.206 281 1HB CYS 40 HB2 CYS 40 0.238 6.574 -7.979 282 2HB CYS 40 HB1 CYS 40 1.578 6.745 -6.850 283 HA PRO 41 HA PRO 41 1.657 11.333 -5.155 284 1HB PRO 41 HB2 PRO 41 3.733 10.684 -3.503 285 2HB PRO 41 HB1 PRO 41 2.092 11.002 -2.930 286 1HG PRO 41 HG2 PRO 41 3.445 8.380 -3.437 287 2HG PRO 41 HG1 PRO 41 2.401 8.858 -2.086 288 1HD PRO 41 HD2 PRO 41 1.489 7.373 -4.136 289 2HD PRO 41 HD1 PRO 41 0.466 8.566 -3.314 290 H SER 42 HN SER 42 3.904 8.559 -5.279 291 HA SER 42 HA SER 42 5.886 9.989 -6.732 292 1HB SER 42 HB2 SER 42 5.512 7.218 -5.762 293 2HB SER 42 HB1 SER 42 6.547 7.397 -7.178 294 HG SER 42 HG SER 42 7.920 8.653 -6.028 295 H ASP 43 HN ASP 43 4.462 6.949 -7.879 296 HA ASP 43 HA ASP 43 3.101 7.907 -10.098 297 1HB ASP 43 HB2 ASP 43 5.789 8.376 -10.465 298 2HB ASP 43 HB1 ASP 43 5.557 6.842 -11.297 299 H TYR 44 HN TYR 44 2.945 5.766 -8.183 300 HA TYR 44 HA TYR 44 3.311 3.392 -9.858 301 1HB TYR 44 HB2 TYR 44 2.301 3.097 -7.081 302 2HB TYR 44 HB1 TYR 44 3.436 2.104 -7.979 303 HD1 TYR 44 HD1 TYR 44 3.497 3.303 -5.060 304 HD2 TYR 44 HD2 TYR 44 5.373 4.347 -8.733 305 HE1 TYR 44 HE1 TYR 44 5.357 4.316 -3.813 306 HE2 TYR 44 HE2 TYR 44 7.240 5.363 -7.495 307 HH TYR 44 HH TYR 44 7.742 6.266 -5.332 308 HA PRO 45 HA PRO 45 -1.037 3.043 -10.522 309 1HB PRO 45 HB2 PRO 45 -1.288 0.471 -11.153 310 2HB PRO 45 HB1 PRO 45 -0.298 1.555 -12.137 311 1HG PRO 45 HG2 PRO 45 0.546 -0.467 -10.110 312 2HG PRO 45 HG1 PRO 45 1.299 -0.048 -11.658 313 1HD PRO 45 HD2 PRO 45 2.100 0.883 -9.150 314 2HD PRO 45 HD1 PRO 45 2.545 1.600 -10.711 315 H LYS 46 HN LYS 46 0.300 0.901 -8.074 316 HA LYS 46 HA LYS 46 -2.155 1.102 -6.541 317 1HB LYS 46 HB2 LYS 46 -2.529 -0.895 -7.911 318 2HB LYS 46 HB1 LYS 46 -1.011 -1.541 -7.343 319 1HG LYS 46 HG2 LYS 46 -1.819 -1.856 -5.154 320 2HG LYS 46 HG1 LYS 46 -3.234 -0.851 -5.459 321 1HD LYS 46 HD2 LYS 46 -3.439 -2.832 -7.369 322 2HD LYS 46 HD1 LYS 46 -2.813 -3.691 -5.960 323 1HE LYS 46 HE2 LYS 46 -4.734 -2.166 -4.814 324 2HE LYS 46 HE1 LYS 46 -5.439 -2.435 -6.407 325 1HZ LYS 46 HZ1 LYS 46 -6.064 -4.132 -4.752 326 2HZ LYS 46 HZ2 LYS 46 -4.442 -4.596 -4.631 327 3HZ LYS 46 HZ3 LYS 46 -5.269 -4.789 -6.094 Start of MODEL 20 1 1H LYS 1 HT1 LYS 1 -8.048 0.437 -0.402 2 2H LYS 1 HT2 LYS 1 -6.684 1.152 0.355 3 3H LYS 1 HT3 LYS 1 -6.672 -0.517 -0.036 4 HA LYS 1 HA LYS 1 -6.693 -0.050 -2.328 5 1HB LYS 1 HB2 LYS 1 -8.122 1.996 -2.045 6 2HB LYS 1 HB1 LYS 1 -6.687 2.864 -1.523 7 1HG LYS 1 HG2 LYS 1 -7.309 3.223 -3.905 8 2HG LYS 1 HG1 LYS 1 -5.667 2.625 -3.661 9 1HD LYS 1 HD2 LYS 1 -7.741 0.562 -4.036 10 2HD LYS 1 HD1 LYS 1 -7.407 1.577 -5.440 11 1HE LYS 1 HE2 LYS 1 -4.976 1.065 -5.120 12 2HE LYS 1 HE1 LYS 1 -5.448 -0.100 -3.883 13 1HZ LYS 1 HZ1 LYS 1 -5.086 -1.090 -6.101 14 2HZ LYS 1 HZ2 LYS 1 -6.386 -0.187 -6.698 15 3HZ LYS 1 HZ3 LYS 1 -6.647 -1.357 -5.504 16 H SER 2 HN SER 2 -5.089 2.632 -0.648 17 HA SER 2 HA SER 2 -2.915 3.206 -0.435 18 1HB SER 2 HB2 SER 2 -3.140 0.498 0.393 19 2HB SER 2 HB1 SER 2 -1.597 0.694 -0.431 20 HG SER 2 HG SER 2 -1.322 2.591 0.964 21 H CYS 3 HN CYS 3 -0.706 3.039 -1.415 22 HA CYS 3 HA CYS 3 -0.839 2.153 -4.218 23 1HB CYS 3 HB2 CYS 3 -1.144 4.502 -4.357 24 2HB CYS 3 HB1 CYS 3 0.072 4.811 -3.127 25 H CYS 4 HN CYS 4 1.027 1.281 -5.078 26 HA CYS 4 HA CYS 4 3.457 1.328 -3.459 27 1HB CYS 4 HB2 CYS 4 2.215 -1.260 -4.410 28 2HB CYS 4 HB1 CYS 4 3.722 -1.088 -3.515 29 HA PRO 5 HA PRO 5 5.263 1.745 -7.469 30 1HB PRO 5 HB2 PRO 5 7.834 1.125 -6.888 31 2HB PRO 5 HB1 PRO 5 7.080 2.646 -6.393 32 1HG PRO 5 HG2 PRO 5 7.530 0.147 -4.803 33 2HG PRO 5 HG1 PRO 5 7.778 1.837 -4.325 34 1HD PRO 5 HD2 PRO 5 5.582 0.423 -3.604 35 2HD PRO 5 HD1 PRO 5 5.542 2.175 -3.887 36 H ASN 6 HN ASN 6 5.072 -1.256 -5.841 37 HA ASN 6 HA ASN 6 5.161 -2.701 -8.294 38 1HB ASN 6 HB2 ASN 6 7.567 -2.668 -6.548 39 2HB ASN 6 HB1 ASN 6 7.086 -4.222 -7.220 40 1HD2 ASN 6 HD21 ASN 6 8.857 -1.473 -7.739 41 2HD2 ASN 6 HD22 ASN 6 9.080 -1.606 -9.447 42 H THR 7 HN THR 7 5.046 -5.133 -7.856 43 HA THR 7 HA THR 7 2.877 -5.638 -6.161 44 HB THR 7 HB THR 7 3.142 -7.127 -7.954 45 HG1 THR 7 HG1 THR 7 4.138 -8.611 -5.759 46 1HG2 THR 7 HG21 THR 7 5.204 -8.654 -8.042 47 2HG2 THR 7 HG22 THR 7 5.980 -7.409 -7.062 48 3HG2 THR 7 HG23 THR 7 5.345 -7.006 -8.657 49 H THR 8 HN THR 8 6.319 -5.762 -5.594 50 HA THR 8 HA THR 8 6.378 -7.373 -3.312 51 HB THR 8 HB THR 8 8.376 -5.742 -2.729 52 HG1 THR 8 HG1 THR 8 7.588 -4.260 -4.428 53 1HG2 THR 8 HG21 THR 8 8.333 -8.133 -3.836 54 2HG2 THR 8 HG22 THR 8 9.803 -7.161 -3.777 55 3HG2 THR 8 HG23 THR 8 8.841 -7.219 -5.255 56 H GLY 9 HN GLY 9 5.084 -4.231 -3.761 57 1HA GLY 9 HA2 GLY 9 5.057 -3.733 -0.863 58 2HA GLY 9 HA1 GLY 9 4.721 -2.539 -2.112 59 H ARG 10 HN ARG 10 2.935 -3.900 -3.686 60 HA ARG 10 HA ARG 10 0.502 -3.458 -2.388 61 1HB ARG 10 HB2 ARG 10 1.380 -4.584 -4.963 62 2HB ARG 10 HB1 ARG 10 -0.184 -5.163 -4.412 63 1HG ARG 10 HG2 ARG 10 0.575 -2.264 -4.712 64 2HG ARG 10 HG1 ARG 10 -0.349 -3.203 -5.886 65 1HD ARG 10 HD2 ARG 10 -1.396 -3.323 -3.153 66 2HD ARG 10 HD1 ARG 10 -1.419 -1.711 -3.864 67 HE ARG 10 HE ARG 10 -2.453 -3.569 -5.710 68 1HH1 ARG 10 HH11 ARG 10 -3.280 -2.005 -2.701 69 2HH1 ARG 10 HH12 ARG 10 -4.987 -2.099 -2.978 70 1HH2 ARG 10 HH21 ARG 10 -4.698 -3.692 -6.075 71 2HH2 ARG 10 HH22 ARG 10 -5.792 -3.058 -4.892 72 H ASN 11 HN ASN 11 2.340 -6.442 -2.882 73 HA ASN 11 HA ASN 11 0.427 -8.268 -2.008 74 1HB ASN 11 HB2 ASN 11 2.380 -9.738 -1.599 75 2HB ASN 11 HB1 ASN 11 2.418 -8.967 -3.165 76 1HD2 ASN 11 HD21 ASN 11 4.687 -10.036 -2.162 77 2HD2 ASN 11 HD22 ASN 11 5.786 -8.780 -1.716 78 H ILE 12 HN ILE 12 3.138 -6.891 -0.141 79 HA ILE 12 HA ILE 12 2.363 -8.032 2.298 80 HB ILE 12 HB ILE 12 4.065 -5.657 1.623 81 1HG1 ILE 12 HG12 ILE 12 5.473 -7.395 3.240 82 2HG1 ILE 12 HG11 ILE 12 4.428 -8.476 2.325 83 1HG2 ILE 12 HG21 ILE 12 2.902 -6.309 4.270 84 2HG2 ILE 12 HG22 ILE 12 3.384 -4.752 3.595 85 3HG2 ILE 12 HG23 ILE 12 4.606 -5.858 4.222 86 1HD1 ILE 12 HD11 ILE 12 6.259 -8.384 0.970 87 2HD1 ILE 12 HD12 ILE 12 6.621 -6.709 1.386 88 3HD1 ILE 12 HD13 ILE 12 5.290 -7.077 0.293 89 H TYR 13 HN TYR 13 1.565 -4.841 0.944 90 HA TYR 13 HA TYR 13 0.039 -4.021 3.170 91 1HB TYR 13 HB2 TYR 13 1.006 -2.722 1.071 92 2HB TYR 13 HB1 TYR 13 -0.605 -3.031 0.441 93 HD1 TYR 13 HD1 TYR 13 1.353 -0.770 2.243 94 HD2 TYR 13 HD2 TYR 13 -2.559 -2.438 2.160 95 HE1 TYR 13 HE1 TYR 13 0.510 1.160 3.512 96 HE2 TYR 13 HE2 TYR 13 -3.413 -0.511 3.427 97 HH TYR 13 HH TYR 13 -1.422 1.663 5.028 98 H ASN 14 HN ASN 14 -0.703 -5.861 0.281 99 HA ASN 14 HA ASN 14 -3.525 -5.795 0.566 100 1HB ASN 14 HB2 ASN 14 -1.564 -7.330 -1.064 101 2HB ASN 14 HB1 ASN 14 -3.179 -7.992 -0.892 102 1HD2 ASN 14 HD21 ASN 14 -2.132 -4.626 -1.091 103 2HD2 ASN 14 HD22 ASN 14 -3.023 -4.249 -2.522 104 H THR 15 HN THR 15 -1.134 -8.383 1.211 105 HA THR 15 HA THR 15 -2.963 -10.120 2.457 106 HB THR 15 HB THR 15 -0.138 -10.147 3.346 107 HG1 THR 15 HG1 THR 15 0.678 -10.250 1.428 108 1HG2 THR 15 HG21 THR 15 -1.756 -12.330 2.080 109 2HG2 THR 15 HG22 THR 15 -1.761 -11.992 3.811 110 3HG2 THR 15 HG23 THR 15 -0.266 -12.482 3.012 111 H CYS 16 HN CYS 16 -0.826 -7.600 3.716 112 HA CYS 16 HA CYS 16 -1.162 -8.018 6.444 113 1HB CYS 16 HB2 CYS 16 0.469 -6.443 5.810 114 2HB CYS 16 HB1 CYS 16 -0.653 -5.559 4.787 115 H ARG 17 HN ARG 17 -2.947 -5.708 4.380 116 HA ARG 17 HA ARG 17 -4.888 -5.004 6.262 117 1HB ARG 17 HB2 ARG 17 -4.523 -4.745 3.374 118 2HB ARG 17 HB1 ARG 17 -6.213 -4.917 3.822 119 1HG ARG 17 HG2 ARG 17 -5.390 -3.079 5.633 120 2HG ARG 17 HG1 ARG 17 -4.362 -2.686 4.254 121 1HD ARG 17 HD2 ARG 17 -6.227 -1.389 3.844 122 2HD ARG 17 HD1 ARG 17 -6.572 -2.836 2.897 123 HE ARG 17 HE ARG 17 -7.725 -3.343 5.304 124 1HH1 ARG 17 HH11 ARG 17 -7.965 -0.729 3.006 125 2HH1 ARG 17 HH12 ARG 17 -9.608 -0.358 3.411 126 1HH2 ARG 17 HH21 ARG 17 -9.885 -2.857 5.838 127 2HH2 ARG 17 HH22 ARG 17 -10.697 -1.566 5.019 128 H LEU 18 HN LEU 18 -4.632 -7.713 4.077 129 HA LEU 18 HA LEU 18 -7.206 -8.758 4.250 130 1HB LEU 18 HB2 LEU 18 -4.581 -9.625 3.382 131 2HB LEU 18 HB1 LEU 18 -5.481 -10.949 4.093 132 HG LEU 18 HG LEU 18 -6.335 -9.229 1.770 133 1HD1 LEU 18 HD11 LEU 18 -5.587 -12.145 1.947 134 2HD1 LEU 18 HD12 LEU 18 -4.634 -10.865 1.196 135 3HD1 LEU 18 HD13 LEU 18 -6.189 -11.325 0.506 136 1HD2 LEU 18 HD21 LEU 18 -8.202 -10.983 1.666 137 2HD2 LEU 18 HD22 LEU 18 -8.335 -9.708 2.877 138 3HD2 LEU 18 HD23 LEU 18 -7.796 -11.320 3.348 139 H GLY 19 HN GLY 19 -4.707 -8.615 6.598 140 1HA GLY 19 HA2 GLY 19 -5.902 -10.735 8.215 141 2HA GLY 19 HA1 GLY 19 -4.384 -9.917 8.544 142 H GLY 20 HN GLY 20 -6.569 -7.582 7.711 143 1HA GLY 20 HA2 GLY 20 -7.814 -6.059 8.881 144 2HA GLY 20 HA1 GLY 20 -8.119 -7.326 10.056 145 H GLY 21 HN GLY 21 -5.079 -5.721 9.075 146 1HA GLY 21 HA2 GLY 21 -4.667 -5.081 11.912 147 2HA GLY 21 HA1 GLY 21 -3.380 -5.343 10.742 148 H SER 22 HN SER 22 -2.600 -3.303 11.560 149 HA SER 22 HA SER 22 -4.036 -0.885 11.112 150 1HB SER 22 HB2 SER 22 -1.193 -0.452 11.180 151 2HB SER 22 HB1 SER 22 -2.423 0.013 12.353 152 HG SER 22 HG SER 22 -2.235 -2.045 13.286 153 H ARG 23 HN ARG 23 -3.669 0.713 9.612 154 HA ARG 23 HA ARG 23 -3.178 -0.210 6.959 155 1HB ARG 23 HB2 ARG 23 -4.480 1.973 8.121 156 2HB ARG 23 HB1 ARG 23 -3.144 2.675 7.219 157 1HG ARG 23 HG2 ARG 23 -3.954 1.212 5.272 158 2HG ARG 23 HG1 ARG 23 -5.440 1.044 6.209 159 1HD ARG 23 HD2 ARG 23 -5.866 3.364 6.136 160 2HD ARG 23 HD1 ARG 23 -4.235 3.722 5.570 161 HE ARG 23 HE ARG 23 -5.242 2.175 3.596 162 1HH1 ARG 23 HH11 ARG 23 -6.410 5.046 5.200 163 2HH1 ARG 23 HH12 ARG 23 -7.273 5.621 3.814 164 1HH2 ARG 23 HH21 ARG 23 -6.377 2.931 1.771 165 2HH2 ARG 23 HH22 ARG 23 -7.255 4.420 1.867 166 H GLU 24 HN GLU 24 -1.508 1.930 9.183 167 HA GLU 24 HA GLU 24 0.682 2.483 7.459 168 1HB GLU 24 HB2 GLU 24 0.889 2.716 10.432 169 2HB GLU 24 HB1 GLU 24 1.527 3.778 9.184 170 1HG GLU 24 HG2 GLU 24 -0.943 4.289 8.667 171 2HG GLU 24 HG1 GLU 24 -1.258 3.590 10.254 172 H ARG 25 HN ARG 25 -0.021 -0.091 9.676 173 HA ARG 25 HA ARG 25 2.534 -0.959 10.334 174 1HB ARG 25 HB2 ARG 25 0.485 -1.871 11.339 175 2HB ARG 25 HB1 ARG 25 0.079 -2.644 9.813 176 1HG ARG 25 HG2 ARG 25 1.852 -4.174 9.991 177 2HG ARG 25 HG1 ARG 25 2.632 -3.241 11.271 178 1HD ARG 25 HD2 ARG 25 0.723 -3.738 12.753 179 2HD ARG 25 HD1 ARG 25 0.014 -4.725 11.476 180 HE ARG 25 HE ARG 25 1.464 -6.404 12.024 181 1HH1 ARG 25 HH11 ARG 25 2.634 -3.422 13.410 182 2HH1 ARG 25 HH12 ARG 25 3.897 -4.190 14.311 183 1HH2 ARG 25 HH21 ARG 25 3.125 -7.417 13.209 184 2HH2 ARG 25 HH22 ARG 25 4.177 -6.458 14.197 185 H CYS 26 HN CYS 26 0.541 -1.828 7.536 186 HA CYS 26 HA CYS 26 2.511 -3.545 6.397 187 1HB CYS 26 HB2 CYS 26 0.667 -2.406 4.446 188 2HB CYS 26 HB1 CYS 26 0.939 -4.083 4.891 189 H ALA 27 HN ALA 27 1.604 -0.169 5.924 190 HA ALA 27 HA ALA 27 3.173 0.421 3.710 191 1HB ALA 27 HB1 ALA 27 1.499 1.865 5.218 192 2HB ALA 27 HB2 ALA 27 2.663 2.597 4.112 193 3HB ALA 27 HB3 ALA 27 3.034 2.480 5.832 194 H SER 28 HN SER 28 4.035 0.534 7.157 195 HA SER 28 HA SER 28 6.730 1.306 6.683 196 1HB SER 28 HB2 SER 28 7.069 0.657 9.075 197 2HB SER 28 HB1 SER 28 5.719 1.767 8.839 198 HG SER 28 HG SER 28 5.728 -0.860 9.683 199 H LEU 29 HN LEU 29 5.001 -1.676 6.696 200 HA LEU 29 HA LEU 29 7.181 -3.445 7.106 201 1HB LEU 29 HB2 LEU 29 4.495 -3.722 7.067 202 2HB LEU 29 HB1 LEU 29 4.885 -4.350 5.480 203 HG LEU 29 HG LEU 29 4.705 -6.090 7.252 204 1HD1 LEU 29 HD11 LEU 29 5.876 -6.837 5.414 205 2HD1 LEU 29 HD12 LEU 29 7.044 -7.082 6.712 206 3HD1 LEU 29 HD13 LEU 29 7.189 -5.684 5.647 207 1HD2 LEU 29 HD21 LEU 29 6.196 -6.253 9.019 208 2HD2 LEU 29 HD22 LEU 29 5.844 -4.526 8.963 209 3HD2 LEU 29 HD23 LEU 29 7.349 -5.141 8.281 210 H SER 30 HN SER 30 5.340 -2.713 4.132 211 HA SER 30 HA SER 30 7.517 -3.792 2.535 212 1HB SER 30 HB2 SER 30 4.712 -3.630 2.225 213 2HB SER 30 HB1 SER 30 5.422 -2.665 0.930 214 HG SER 30 HG SER 30 6.717 -4.492 0.411 215 H GLY 31 HN GLY 31 6.184 -0.715 3.428 216 1HA GLY 31 HA2 GLY 31 7.327 1.329 3.251 217 2HA GLY 31 HA1 GLY 31 8.387 0.607 2.049 218 H CYS 32 HN CYS 32 4.889 0.429 1.935 219 HA CYS 32 HA CYS 32 4.855 1.524 -0.709 220 1HB CYS 32 HB2 CYS 32 2.746 0.518 1.182 221 2HB CYS 32 HB1 CYS 32 2.315 1.292 -0.333 222 H LYS 33 HN LYS 33 2.811 3.081 -1.061 223 HA LYS 33 HA LYS 33 3.246 5.395 0.707 224 1HB LYS 33 HB2 LYS 33 3.481 5.140 -2.131 225 2HB LYS 33 HB1 LYS 33 2.152 6.235 -1.779 226 1HG LYS 33 HG2 LYS 33 4.944 6.504 -0.687 227 2HG LYS 33 HG1 LYS 33 4.297 7.396 -2.066 228 1HD LYS 33 HD2 LYS 33 3.805 8.943 -0.498 229 2HD LYS 33 HD1 LYS 33 2.399 7.914 -0.217 230 1HE LYS 33 HE2 LYS 33 3.130 7.269 1.801 231 2HE LYS 33 HE1 LYS 33 4.790 7.071 1.239 232 1HZ LYS 33 HZ1 LYS 33 3.620 9.745 1.705 233 2HZ LYS 33 HZ2 LYS 33 5.252 9.315 1.600 234 3HZ LYS 33 HZ3 LYS 33 4.346 8.866 2.955 235 H ILE 34 HN ILE 34 1.539 6.066 1.821 236 HA ILE 34 HA ILE 34 -1.078 4.960 1.188 237 HB ILE 34 HB ILE 34 -0.151 4.883 3.520 238 1HG1 ILE 34 HG12 ILE 34 -2.374 5.928 4.501 239 2HG1 ILE 34 HG11 ILE 34 -2.807 6.042 2.797 240 1HG2 ILE 34 HG21 ILE 34 -0.856 7.802 3.664 241 2HG2 ILE 34 HG22 ILE 34 0.787 7.229 3.389 242 3HG2 ILE 34 HG23 ILE 34 -0.054 6.808 4.880 243 1HD1 ILE 34 HD11 ILE 34 -3.633 3.986 3.189 244 2HD1 ILE 34 HD12 ILE 34 -2.528 3.677 4.529 245 3HD1 ILE 34 HD13 ILE 34 -1.967 3.505 2.867 246 H ILE 35 HN ILE 35 -2.503 6.064 0.033 247 HA ILE 35 HA ILE 35 -2.450 9.008 0.163 248 HB ILE 35 HB ILE 35 -3.139 7.425 -2.309 249 1HG1 ILE 35 HG12 ILE 35 -0.716 9.055 -2.411 250 2HG1 ILE 35 HG11 ILE 35 -0.597 7.737 -1.249 251 1HG2 ILE 35 HG21 ILE 35 -4.137 9.711 -1.976 252 2HG2 ILE 35 HG22 ILE 35 -3.176 9.507 -3.440 253 3HG2 ILE 35 HG23 ILE 35 -2.496 10.352 -2.049 254 1HD1 ILE 35 HD11 ILE 35 -1.123 7.563 -4.197 255 2HD1 ILE 35 HD12 ILE 35 -1.358 6.205 -3.097 256 3HD1 ILE 35 HD13 ILE 35 0.243 6.918 -3.288 257 H SER 36 HN SER 36 -4.431 6.179 -0.693 258 HA SER 36 HA SER 36 -6.604 5.681 -0.209 259 1HB SER 36 HB2 SER 36 -7.665 6.659 1.578 260 2HB SER 36 HB1 SER 36 -6.014 7.181 1.910 261 HG SER 36 HG SER 36 -6.486 9.184 1.176 262 H ALA 37 HN ALA 37 -5.550 7.579 -2.396 263 HA ALA 37 HA ALA 37 -8.208 8.479 -3.289 264 1HB ALA 37 HB1 ALA 37 -6.514 10.301 -2.600 265 2HB ALA 37 HB2 ALA 37 -7.371 10.476 -4.132 266 3HB ALA 37 HB3 ALA 37 -5.704 9.899 -4.114 267 H SER 38 HN SER 38 -6.264 6.090 -3.762 268 HA SER 38 HA SER 38 -5.907 4.630 -5.460 269 1HB SER 38 HB2 SER 38 -8.078 6.284 -6.435 270 2HB SER 38 HB1 SER 38 -7.041 5.757 -7.761 271 HG SER 38 HG SER 38 -8.165 4.047 -5.794 272 H THR 39 HN THR 39 -5.881 7.846 -7.022 273 HA THR 39 HA THR 39 -3.817 7.392 -8.794 274 HB THR 39 HB THR 39 -5.039 9.384 -9.068 275 HG1 THR 39 HG1 THR 39 -2.580 10.274 -7.987 276 1HG2 THR 39 HG21 THR 39 -5.947 9.926 -7.001 277 2HG2 THR 39 HG22 THR 39 -4.832 11.251 -7.336 278 3HG2 THR 39 HG23 THR 39 -4.369 9.972 -6.214 279 H CYS 40 HN CYS 40 -1.652 7.282 -8.696 280 HA CYS 40 HA CYS 40 -0.425 7.352 -6.052 281 1HB CYS 40 HB2 CYS 40 0.422 6.229 -8.713 282 2HB CYS 40 HB1 CYS 40 1.565 6.391 -7.382 283 HA PRO 41 HA PRO 41 1.237 11.423 -6.691 284 1HB PRO 41 HB2 PRO 41 3.334 11.194 -4.906 285 2HB PRO 41 HB1 PRO 41 1.679 11.626 -4.471 286 1HG PRO 41 HG2 PRO 41 3.052 8.978 -4.305 287 2HG PRO 41 HG1 PRO 41 1.922 9.729 -3.166 288 1HD PRO 41 HD2 PRO 41 1.139 7.792 -4.846 289 2HD PRO 41 HD1 PRO 41 0.067 9.144 -4.426 290 H SER 42 HN SER 42 4.046 9.395 -5.916 291 HA SER 42 HA SER 42 5.835 10.560 -7.624 292 1HB SER 42 HB2 SER 42 5.630 7.864 -6.383 293 2HB SER 42 HB1 SER 42 6.808 8.064 -7.679 294 HG SER 42 HG SER 42 6.643 9.815 -5.460 295 H ASP 43 HN ASP 43 4.807 7.273 -8.451 296 HA ASP 43 HA ASP 43 3.515 7.786 -10.853 297 1HB ASP 43 HB2 ASP 43 5.400 7.174 -12.452 298 2HB ASP 43 HB1 ASP 43 5.460 8.794 -11.764 299 H TYR 44 HN TYR 44 3.391 5.938 -8.715 300 HA TYR 44 HA TYR 44 4.353 3.397 -9.706 301 1HB TYR 44 HB2 TYR 44 2.491 3.901 -7.383 302 2HB TYR 44 HB1 TYR 44 3.424 2.447 -7.697 303 HD1 TYR 44 HD1 TYR 44 5.778 4.614 -8.601 304 HD2 TYR 44 HD2 TYR 44 3.586 3.652 -5.082 305 HE1 TYR 44 HE1 TYR 44 7.611 5.497 -7.223 306 HE2 TYR 44 HE2 TYR 44 5.415 4.535 -3.697 307 HH TYR 44 HH TYR 44 8.038 4.850 -4.093 308 HA PRO 45 HA PRO 45 0.719 2.114 -11.796 309 1HB PRO 45 HB2 PRO 45 0.736 -0.574 -10.740 310 2HB PRO 45 HB1 PRO 45 1.284 -0.007 -12.317 311 1HG PRO 45 HG2 PRO 45 2.962 -0.956 -10.378 312 2HG PRO 45 HG1 PRO 45 3.454 0.195 -11.631 313 1HD PRO 45 HD2 PRO 45 2.713 0.701 -8.773 314 2HD PRO 45 HD1 PRO 45 4.008 1.430 -9.749 315 H LYS 46 HN LYS 46 0.651 0.805 -8.484 316 HA LYS 46 HA LYS 46 -2.218 1.425 -8.427 317 1HB LYS 46 HB2 LYS 46 -0.801 -1.060 -7.765 318 2HB LYS 46 HB1 LYS 46 -2.001 -0.561 -6.583 319 1HG LYS 46 HG2 LYS 46 -2.457 -1.069 -9.515 320 2HG LYS 46 HG1 LYS 46 -3.003 -2.066 -8.164 321 1HD LYS 46 HD2 LYS 46 -4.183 0.128 -7.390 322 2HD LYS 46 HD1 LYS 46 -3.996 0.600 -9.080 323 1HE LYS 46 HE2 LYS 46 -5.065 -1.645 -9.646 324 2HE LYS 46 HE1 LYS 46 -5.521 -1.725 -7.945 325 1HZ LYS 46 HZ1 LYS 46 -6.390 0.700 -8.545 326 2HZ LYS 46 HZ2 LYS 46 -7.346 -0.684 -8.726 327 3HZ LYS 46 HZ3 LYS 46 -6.553 -0.023 -10.067
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