NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588744 | 2ruz | 11479 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 3.017 -16.806 -3.456 2 H2 GLY 1 2H GLY 1 2.954 -17.542 -1.997 3 H3 GLY 1 3H GLY 1 3.305 -15.944 -2.093 4 HA2 GLY 1 1HA GLY 1 1.043 -16.232 -1.343 5 HA3 GLY 1 2HA GLY 1 1.110 -15.438 -2.926 6 H SER 2 H SER 2 -1.216 -16.341 -2.675 7 HA SER 2 HA SER 2 -1.436 -18.798 -4.307 8 HB2 SER 2 1HB SER 2 -3.181 -19.730 -2.831 9 HB3 SER 2 2HB SER 2 -1.599 -19.657 -2.044 10 HG SER 2 HG SER 2 -3.285 -18.910 -0.672 11 H SER 3 H SER 3 -3.600 -19.109 -5.220 12 HA SER 3 HA SER 3 -4.731 -16.579 -6.147 13 HB2 SER 3 1HB SER 3 -6.066 -18.046 -7.643 14 HB3 SER 3 2HB SER 3 -4.314 -18.262 -7.782 15 HG SER 3 HG SER 3 -5.441 -20.270 -7.697 16 H GLY 4 H GLY 4 -6.924 -16.002 -6.124 17 HA2 GLY 4 1HA GLY 4 -9.100 -17.256 -4.925 18 HA3 GLY 4 2HA GLY 4 -8.315 -16.364 -3.621 19 H SER 5 H SER 5 -10.880 -15.718 -4.288 20 HA SER 5 HA SER 5 -11.120 -13.602 -6.230 21 HB2 SER 5 1HB SER 5 -12.917 -14.302 -3.881 22 HB3 SER 5 2HB SER 5 -13.328 -13.227 -5.231 23 HG SER 5 HG SER 5 -14.106 -15.374 -5.548 24 H SER 6 H SER 6 -10.399 -11.585 -6.093 25 HA SER 6 HA SER 6 -10.660 -9.956 -3.683 26 HB2 SER 6 1HB SER 6 -8.449 -11.236 -3.442 27 HB3 SER 6 2HB SER 6 -7.871 -10.318 -4.845 28 HG SER 6 HG SER 6 -7.368 -9.347 -2.786 29 H GLY 7 H GLY 7 -9.733 -7.710 -4.142 30 HA2 GLY 7 1HA GLY 7 -10.632 -6.659 -6.742 31 HA3 GLY 7 2HA GLY 7 -9.973 -5.742 -5.389 32 H ILE 8 H ILE 8 -9.036 -4.804 -7.571 33 HA ILE 8 HA ILE 8 -6.597 -6.125 -8.539 34 HB ILE 8 HB ILE 8 -7.630 -3.315 -9.053 35 HG12 ILE 8 1HG1 ILE 8 -9.268 -4.864 -9.921 36 HG13 ILE 8 2HG1 ILE 8 -8.382 -4.135 -11.243 37 HG21 ILE 8 1HG2 ILE 8 -5.249 -3.424 -9.497 38 HG22 ILE 8 2HG2 ILE 8 -5.430 -4.933 -10.413 39 HG23 ILE 8 3HG2 ILE 8 -6.105 -3.412 -11.038 40 HD11 ILE 8 3HD1 ILE 8 -7.046 -6.229 -11.509 41 HD12 ILE 8 1HD1 ILE 8 -7.969 -6.967 -10.177 42 HD13 ILE 8 2HD1 ILE 8 -8.787 -6.503 -11.675 43 H LEU 9 H LEU 9 -4.672 -5.982 -7.634 44 HA LEU 9 HA LEU 9 -4.264 -4.533 -5.169 45 HB2 LEU 9 1HB LEU 9 -2.463 -6.235 -6.927 46 HB3 LEU 9 2HB LEU 9 -1.830 -5.361 -5.553 47 HG LEU 9 HG LEU 9 -2.181 -7.661 -4.990 48 HD11 LEU 9 1HD1 LEU 9 -4.240 -5.987 -3.512 49 HD12 LEU 9 2HD1 LEU 9 -2.479 -5.929 -3.230 50 HD13 LEU 9 3HD1 LEU 9 -3.383 -7.417 -2.915 51 HD21 LEU 9 3HD2 LEU 9 -5.168 -7.274 -5.373 52 HD22 LEU 9 1HD2 LEU 9 -4.330 -8.732 -4.822 53 HD23 LEU 9 2HD2 LEU 9 -4.104 -8.170 -6.487 54 H LEU 10 H LEU 10 -3.296 -2.735 -4.707 55 HA LEU 10 HA LEU 10 -1.912 -1.076 -6.764 56 HB2 LEU 10 1HB LEU 10 -2.943 -0.254 -4.025 57 HB3 LEU 10 2HB LEU 10 -2.351 0.799 -5.309 58 HG LEU 10 HG LEU 10 -4.942 -0.819 -5.393 59 HD11 LEU 10 1HD1 LEU 10 -4.979 1.032 -3.784 60 HD12 LEU 10 2HD1 LEU 10 -6.034 1.359 -5.167 61 HD13 LEU 10 3HD1 LEU 10 -4.452 2.166 -5.049 62 HD21 LEU 10 3HD2 LEU 10 -5.457 0.538 -7.399 63 HD22 LEU 10 1HD2 LEU 10 -4.037 -0.481 -7.664 64 HD23 LEU 10 2HD2 LEU 10 -3.830 1.256 -7.338 65 H LYS 11 H LYS 11 0.194 -0.290 -6.210 66 HA LYS 11 HA LYS 11 1.610 -1.903 -4.103 67 HB2 LYS 11 1HB LYS 11 2.568 -1.172 -6.895 68 HB3 LYS 11 2HB LYS 11 3.519 -2.002 -5.658 69 HG2 LYS 11 1HG LYS 11 1.864 -3.869 -5.647 70 HG3 LYS 11 2HG LYS 11 0.962 -3.065 -6.944 71 HD2 LYS 11 1HD LYS 11 2.960 -3.185 -8.412 72 HD3 LYS 11 2HD LYS 11 3.859 -4.005 -7.115 73 HE2 LYS 11 1HE LYS 11 2.188 -5.846 -7.128 74 HE3 LYS 11 2HE LYS 11 1.293 -5.030 -8.416 75 HZ1 LYS 11 3HZ LYS 11 3.256 -5.275 -9.844 76 HZ2 LYS 11 1HZ LYS 11 2.771 -6.738 -9.311 77 HZ3 LYS 11 2HZ LYS 11 4.083 -6.030 -8.653 78 H CYS 12 H CYS 12 3.312 -1.059 -3.017 79 HA CYS 12 HA CYS 12 3.385 1.759 -2.539 80 HB2 CYS 12 1HB CYS 12 3.850 -0.025 -0.912 81 HB3 CYS 12 2HB CYS 12 5.340 -0.432 -1.788 82 HA PRO 13 HA PRO 13 6.249 2.699 -5.915 83 HB2 PRO 13 1HB PRO 13 6.415 5.389 -5.668 84 HB3 PRO 13 2HB PRO 13 4.877 4.587 -6.111 85 HG2 PRO 13 1HG PRO 13 5.767 5.499 -3.348 86 HG3 PRO 13 2HG PRO 13 4.218 5.858 -4.181 87 HD2 PRO 13 1HD PRO 13 4.504 3.791 -2.397 88 HD3 PRO 13 2HD PRO 13 3.406 3.687 -3.807 89 H THR 14 H THR 14 7.061 2.785 -2.610 90 HA THR 14 HA THR 14 9.489 4.359 -2.778 91 HB THR 14 HB THR 14 8.652 2.530 -0.507 92 HG1 THR 14 1HG THR 14 6.989 3.892 -0.766 93 HG21 THR 14 3HG2 THR 14 10.927 3.364 -0.226 94 HG22 THR 14 1HG2 THR 14 9.858 4.258 0.855 95 HG23 THR 14 2HG2 THR 14 10.415 5.018 -0.647 96 H ASP 15 H ASP 15 11.621 3.757 -2.864 97 HA ASP 15 HA ASP 15 12.344 1.263 -4.051 98 HB2 ASP 15 1HB ASP 15 14.034 3.380 -2.667 99 HB3 ASP 15 2HB ASP 15 14.686 2.007 -3.557 100 H GLY 16 H GLY 16 13.117 -0.625 -3.268 101 HA2 GLY 16 1HA GLY 16 13.798 -2.269 -1.803 102 HA3 GLY 16 2HA GLY 16 14.016 -1.057 -0.543 103 H CYS 17 H CYS 17 10.892 -0.559 -1.445 104 HA CYS 17 HA CYS 17 9.746 -2.218 0.701 105 HB2 CYS 17 1HB CYS 17 9.346 0.254 0.334 106 HB3 CYS 17 2HB CYS 17 8.365 -0.198 -1.070 107 H ASP 18 H ASP 18 7.853 -3.442 0.366 108 HA ASP 18 HA ASP 18 7.525 -4.762 -2.296 109 HB2 ASP 18 1HB ASP 18 9.213 -5.955 -0.841 110 HB3 ASP 18 2HB ASP 18 7.927 -6.242 0.330 111 H TYR 19 H TYR 19 5.941 -3.034 -0.114 112 HA TYR 19 HA TYR 19 3.700 -4.677 0.635 113 HB2 TYR 19 1HB TYR 19 4.450 -2.842 1.996 114 HB3 TYR 19 2HB TYR 19 4.225 -1.701 0.687 115 HD1 TYR 19 2HD TYR 19 2.530 -3.778 3.243 116 HD2 TYR 19 1HD TYR 19 1.967 -0.849 0.119 117 HE1 TYR 19 2HE TYR 19 0.225 -3.332 4.070 118 HE2 TYR 19 1HE TYR 19 -0.319 -0.397 0.964 119 HH TYR 19 HH TYR 19 -1.685 -2.103 3.805 120 H SER 20 H SER 20 1.679 -4.860 -0.131 121 HA SER 20 HA SER 20 0.654 -3.084 -2.198 122 HB2 SER 20 1HB SER 20 -0.113 -4.856 -3.701 123 HB3 SER 20 2HB SER 20 1.653 -4.836 -3.583 124 HG SER 20 HG SER 20 1.555 -6.613 -2.195 125 H THR 21 H THR 21 -1.625 -3.132 -2.443 126 HA THR 21 HA THR 21 -3.303 -4.689 -0.604 127 HB THR 21 HB THR 21 -2.520 -3.018 0.933 128 HG1 THR 21 1HG THR 21 -4.426 -2.321 1.591 129 HG21 THR 21 3HG2 THR 21 -2.872 -0.623 0.643 130 HG22 THR 21 1HG2 THR 21 -3.532 -0.875 -0.985 131 HG23 THR 21 2HG2 THR 21 -1.826 -1.218 -0.653 132 HA PRO 22 HA PRO 22 -6.121 -3.552 -3.916 133 HB2 PRO 22 1HB PRO 22 -8.520 -4.430 -2.990 134 HB3 PRO 22 2HB PRO 22 -7.193 -5.548 -3.432 135 HG2 PRO 22 1HG PRO 22 -7.902 -4.507 -0.665 136 HG3 PRO 22 2HG PRO 22 -7.641 -6.210 -1.169 137 HD2 PRO 22 1HD PRO 22 -5.671 -4.719 -0.023 138 HD3 PRO 22 2HD PRO 22 -5.304 -5.906 -1.300 139 H ASP 23 H ASP 23 -6.047 -1.917 -0.915 140 HA ASP 23 HA ASP 23 -8.284 -0.076 -1.661 141 HB2 ASP 23 1HB ASP 23 -8.335 -1.400 0.562 142 HB3 ASP 23 2HB ASP 23 -6.999 -0.404 1.027 143 H LYS 24 H LYS 24 -7.878 1.975 -2.208 144 HA LYS 24 HA LYS 24 -5.232 3.041 -2.435 145 HB2 LYS 24 1HB LYS 24 -6.310 5.076 -3.194 146 HB3 LYS 24 2HB LYS 24 -7.057 3.662 -3.937 147 HG2 LYS 24 1HG LYS 24 -8.935 3.807 -2.278 148 HG3 LYS 24 2HG LYS 24 -8.203 5.265 -1.601 149 HD2 LYS 24 1HD LYS 24 -9.115 4.996 -4.494 150 HD3 LYS 24 2HD LYS 24 -10.100 5.660 -3.181 151 HE2 LYS 24 1HE LYS 24 -8.335 7.383 -2.750 152 HE3 LYS 24 2HE LYS 24 -7.430 6.777 -4.144 153 HZ1 LYS 24 3HZ LYS 24 -9.347 7.352 -5.545 154 HZ2 LYS 24 1HZ LYS 24 -8.821 8.675 -4.748 155 HZ3 LYS 24 2HZ LYS 24 -10.175 7.912 -4.251 156 H TYR 25 H TYR 25 -7.549 3.350 0.223 157 HA TYR 25 HA TYR 25 -6.044 5.569 1.446 158 HB2 TYR 25 1HB TYR 25 -8.407 4.018 2.542 159 HB3 TYR 25 2HB TYR 25 -7.739 5.517 3.165 160 HD1 TYR 25 1HD TYR 25 -7.704 7.584 1.568 161 HD2 TYR 25 2HD TYR 25 -10.135 4.079 0.906 162 HE1 TYR 25 1HE TYR 25 -9.148 8.883 0.013 163 HE2 TYR 25 2HE TYR 25 -11.586 5.386 -0.649 164 HH TYR 25 HH TYR 25 -10.980 8.849 -1.363 165 H LYS 26 H LYS 26 -6.429 2.033 1.891 166 HA LYS 26 HA LYS 26 -4.677 1.845 4.200 167 HB2 LYS 26 1HB LYS 26 -5.099 -0.185 1.977 168 HB3 LYS 26 2HB LYS 26 -4.316 -0.495 3.514 169 HG2 LYS 26 1HG LYS 26 -6.420 0.085 4.722 170 HG3 LYS 26 2HG LYS 26 -7.243 0.285 3.186 171 HD2 LYS 26 1HD LYS 26 -6.647 -2.106 2.617 172 HD3 LYS 26 2HD LYS 26 -5.956 -2.286 4.229 173 HE2 LYS 26 1HE LYS 26 -8.857 -1.530 3.631 174 HE3 LYS 26 2HE LYS 26 -8.299 -3.171 3.962 175 HZ1 LYS 26 3HZ LYS 26 -8.122 -0.903 5.875 176 HZ2 LYS 26 1HZ LYS 26 -7.569 -2.416 6.165 177 HZ3 LYS 26 2HZ LYS 26 -9.165 -2.152 5.968 178 H LEU 27 H LEU 27 -3.985 1.916 0.680 179 HA LEU 27 HA LEU 27 -1.158 1.671 0.961 180 HB2 LEU 27 1HB LEU 27 -2.390 1.368 -1.171 181 HB3 LEU 27 2HB LEU 27 -2.753 3.092 -1.192 182 HG LEU 27 HG LEU 27 -0.364 3.640 -1.417 183 HD11 LEU 27 1HD1 LEU 27 0.077 0.619 -1.415 184 HD12 LEU 27 2HD1 LEU 27 0.715 1.788 -0.227 185 HD13 LEU 27 3HD1 LEU 27 1.281 1.834 -1.892 186 HD21 LEU 27 3HD2 LEU 27 -1.740 3.183 -3.441 187 HD22 LEU 27 1HD2 LEU 27 -1.207 1.486 -3.387 188 HD23 LEU 27 2HD2 LEU 27 -0.029 2.782 -3.675 189 H GLN 28 H GLN 28 -3.165 4.695 0.780 190 HA GLN 28 HA GLN 28 -1.028 6.540 1.159 191 HB2 GLN 28 1HB GLN 28 -3.954 6.596 1.994 192 HB3 GLN 28 2HB GLN 28 -2.887 7.967 2.248 193 HG2 GLN 28 1HG GLN 28 -3.336 6.718 -0.498 194 HG3 GLN 28 2HG GLN 28 -4.326 8.009 0.166 195 HE21 GLN 28 1HE2 GLN 28 -3.145 8.580 -2.202 196 HE22 GLN 28 2HE2 GLN 28 -1.776 9.656 -1.959 197 H ALA 29 H ALA 29 -2.997 4.858 3.647 198 HA ALA 29 HA ALA 29 -1.610 5.884 5.913 199 HB1 ALA 29 1HB ALA 29 -2.641 4.002 7.105 200 HB2 ALA 29 2HB ALA 29 -3.804 4.758 5.998 201 HB3 ALA 29 3HB ALA 29 -3.036 3.214 5.564 202 H HIS 30 H HIS 30 -0.648 3.278 3.684 203 HA HIS 30 HA HIS 30 1.635 2.462 5.352 204 HB2 HIS 30 1HB HIS 30 0.603 0.808 3.942 205 HB3 HIS 30 2HB HIS 30 0.810 1.802 2.504 206 HD1 HIS 30 1HD HIS 30 2.952 -0.264 4.954 207 HD2 HIS 30 2HD HIS 30 3.169 1.841 1.325 208 HE1 HIS 30 1HE HIS 30 5.264 -0.738 4.023 209 H LEU 31 H LEU 31 1.189 4.737 2.562 210 HA LEU 31 HA LEU 31 3.959 5.252 2.144 211 HB2 LEU 31 1HB LEU 31 1.699 7.267 1.956 212 HB3 LEU 31 2HB LEU 31 3.299 7.436 1.260 213 HG LEU 31 HG LEU 31 1.116 5.526 0.389 214 HD11 LEU 31 1HD1 LEU 31 0.941 7.861 -0.369 215 HD12 LEU 31 2HD1 LEU 31 1.250 6.744 -1.709 216 HD13 LEU 31 3HD1 LEU 31 2.569 7.751 -1.072 217 HD21 LEU 31 3HD2 LEU 31 3.223 4.290 0.183 218 HD22 LEU 31 1HD2 LEU 31 3.972 5.676 -0.647 219 HD23 LEU 31 2HD2 LEU 31 2.630 4.780 -1.401 220 H LYS 32 H LYS 32 1.815 6.526 4.651 221 HA LYS 32 HA LYS 32 3.555 8.430 5.860 222 HB2 LYS 32 1HB LYS 32 1.419 6.649 7.091 223 HB3 LYS 32 2HB LYS 32 2.210 7.987 7.928 224 HG2 LYS 32 1HG LYS 32 1.384 9.587 6.255 225 HG3 LYS 32 2HG LYS 32 0.586 8.280 5.363 226 HD2 LYS 32 1HD LYS 32 -0.784 7.756 7.381 227 HD3 LYS 32 2HD LYS 32 -0.057 9.124 8.228 228 HE2 LYS 32 1HE LYS 32 -1.640 9.311 5.618 229 HE3 LYS 32 2HE LYS 32 -2.331 9.562 7.223 230 HZ1 LYS 32 3HZ LYS 32 -0.177 11.225 6.030 231 HZ2 LYS 32 1HZ LYS 32 -0.793 11.430 7.531 232 HZ3 LYS 32 2HZ LYS 32 -1.732 11.672 6.222 233 H VAL 33 H VAL 33 3.840 4.944 5.908 234 HA VAL 33 HA VAL 33 5.559 4.813 8.243 235 HB VAL 33 HB VAL 33 4.143 2.956 6.849 236 HG11 VAL 33 1HG1 VAL 33 5.561 1.334 5.795 237 HG12 VAL 33 2HG1 VAL 33 5.816 2.868 4.953 238 HG13 VAL 33 3HG1 VAL 33 7.023 2.279 6.112 239 HG21 VAL 33 3HG2 VAL 33 5.227 1.275 8.205 240 HG22 VAL 33 1HG2 VAL 33 6.568 2.396 8.564 241 HG23 VAL 33 2HG2 VAL 33 4.915 2.751 9.132 242 H HIS 34 H HIS 34 6.060 5.733 4.968 243 HA HIS 34 HA HIS 34 9.025 5.525 5.166 244 HB2 HIS 34 1HB HIS 34 7.231 6.209 2.809 245 HB3 HIS 34 2HB HIS 34 8.979 6.017 2.765 246 HD1 HIS 34 1HD HIS 34 9.731 3.355 3.736 247 HD2 HIS 34 2HD HIS 34 5.977 4.103 1.993 248 HE1 HIS 34 1HE HIS 34 8.902 1.105 2.905 249 H THR 35 H THR 35 6.414 7.976 4.756 250 HA THR 35 HA THR 35 8.352 10.161 4.570 251 HB THR 35 HB THR 35 6.398 11.628 4.467 252 HG1 THR 35 1HG THR 35 4.354 10.717 4.480 253 HG21 THR 35 3HG2 THR 35 7.205 10.499 2.396 254 HG22 THR 35 1HG2 THR 35 5.466 10.834 2.365 255 HG23 THR 35 2HG2 THR 35 6.043 9.183 2.676 256 H ALA 36 H ALA 36 6.792 8.607 7.243 257 HA ALA 36 HA ALA 36 7.995 10.597 9.088 258 HB1 ALA 36 1HB ALA 36 5.152 9.512 9.304 259 HB2 ALA 36 2HB ALA 36 5.962 10.573 10.476 260 HB3 ALA 36 3HB ALA 36 5.597 11.171 8.848 261 H LEU 37 H LEU 37 8.183 9.768 11.318 262 HA LEU 37 HA LEU 37 8.116 6.886 11.760 263 HB2 LEU 37 1HB LEU 37 10.310 7.262 10.627 264 HB3 LEU 37 2HB LEU 37 10.725 8.462 11.846 265 HG LEU 37 HG LEU 37 10.694 6.687 13.600 266 HD11 LEU 37 1HD1 LEU 37 10.694 4.302 12.887 267 HD12 LEU 37 2HD1 LEU 37 10.240 4.798 11.242 268 HD13 LEU 37 3HD1 LEU 37 9.128 5.060 12.603 269 HD21 LEU 37 3HD2 LEU 37 12.449 6.049 11.194 270 HD22 LEU 37 1HD2 LEU 37 12.754 5.565 12.878 271 HD23 LEU 37 2HD2 LEU 37 12.783 7.279 12.434 272 H ASP 38 H ASP 38 7.821 6.420 13.868 273 HA ASP 38 HA ASP 38 8.293 8.384 16.033 274 HB2 ASP 38 1HB ASP 38 5.999 8.832 15.262 275 HB3 ASP 38 2HB ASP 38 5.581 7.133 15.449 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -11.336 -18.698 -25.145 2 H2 GLY 1 2H GLY 1 -12.190 -17.580 -24.305 3 H3 GLY 1 3H GLY 1 -12.426 -19.175 -24.018 4 HA2 GLY 1 1HA GLY 1 -10.199 -19.423 -23.152 5 HA3 GLY 1 2HA GLY 1 -9.927 -17.701 -23.478 6 H SER 2 H SER 2 -9.733 -19.084 -20.923 7 HA SER 2 HA SER 2 -12.085 -18.546 -19.333 8 HB2 SER 2 1HB SER 2 -9.259 -19.208 -18.444 9 HB3 SER 2 2HB SER 2 -10.736 -19.348 -17.474 10 HG SER 2 HG SER 2 -10.110 -21.360 -18.396 11 H SER 3 H SER 3 -9.535 -16.443 -20.275 12 HA SER 3 HA SER 3 -9.227 -14.849 -17.942 13 HB2 SER 3 1HB SER 3 -8.844 -14.046 -20.848 14 HB3 SER 3 2HB SER 3 -8.168 -13.228 -19.427 15 HG SER 3 HG SER 3 -6.657 -14.666 -20.389 16 H GLY 4 H GLY 4 -9.928 -12.750 -17.432 17 HA2 GLY 4 1HA GLY 4 -11.917 -11.260 -18.870 18 HA3 GLY 4 2HA GLY 4 -12.663 -12.157 -17.544 19 H SER 5 H SER 5 -12.981 -9.571 -17.289 20 HA SER 5 HA SER 5 -10.798 -8.182 -15.962 21 HB2 SER 5 1HB SER 5 -12.492 -6.401 -15.607 22 HB3 SER 5 2HB SER 5 -12.275 -6.886 -17.296 23 HG SER 5 HG SER 5 -14.495 -6.682 -16.725 24 H SER 6 H SER 6 -10.616 -7.543 -13.848 25 HA SER 6 HA SER 6 -12.419 -8.432 -11.725 26 HB2 SER 6 1HB SER 6 -10.704 -9.802 -10.578 27 HB3 SER 6 2HB SER 6 -11.190 -10.506 -12.123 28 HG SER 6 HG SER 6 -8.911 -10.529 -11.834 29 H GLY 7 H GLY 7 -11.515 -7.818 -9.532 30 HA2 GLY 7 1HA GLY 7 -10.397 -5.143 -9.470 31 HA3 GLY 7 2HA GLY 7 -10.678 -6.199 -8.086 32 H ILE 8 H ILE 8 -8.367 -4.475 -8.670 33 HA ILE 8 HA ILE 8 -6.149 -6.464 -8.879 34 HB ILE 8 HB ILE 8 -4.803 -4.789 -10.003 35 HG12 ILE 8 1HG1 ILE 8 -7.335 -3.102 -10.258 36 HG13 ILE 8 2HG1 ILE 8 -5.986 -2.743 -9.174 37 HG21 ILE 8 1HG2 ILE 8 -5.761 -5.099 -12.197 38 HG22 ILE 8 2HG2 ILE 8 -6.127 -6.528 -11.232 39 HG23 ILE 8 3HG2 ILE 8 -7.389 -5.314 -11.524 40 HD11 ILE 8 3HD1 ILE 8 -4.459 -2.608 -11.144 41 HD12 ILE 8 1HD1 ILE 8 -5.874 -2.800 -12.210 42 HD13 ILE 8 2HD1 ILE 8 -5.753 -1.391 -11.143 43 H LEU 9 H LEU 9 -4.211 -6.017 -7.849 44 HA LEU 9 HA LEU 9 -4.418 -4.598 -5.276 45 HB2 LEU 9 1HB LEU 9 -2.334 -6.366 -6.611 46 HB3 LEU 9 2HB LEU 9 -1.951 -5.437 -5.181 47 HG LEU 9 HG LEU 9 -2.447 -7.778 -4.701 48 HD11 LEU 9 1HD1 LEU 9 -4.502 -5.921 -3.462 49 HD12 LEU 9 2HD1 LEU 9 -2.787 -6.031 -2.982 50 HD13 LEU 9 3HD1 LEU 9 -3.862 -7.418 -2.765 51 HD21 LEU 9 3HD2 LEU 9 -5.353 -7.198 -5.371 52 HD22 LEU 9 1HD2 LEU 9 -4.673 -8.697 -4.718 53 HD23 LEU 9 2HD2 LEU 9 -4.251 -8.190 -6.362 54 H LEU 10 H LEU 10 -3.433 -2.767 -4.727 55 HA LEU 10 HA LEU 10 -1.922 -1.157 -6.726 56 HB2 LEU 10 1HB LEU 10 -2.870 -0.366 -3.950 57 HB3 LEU 10 2HB LEU 10 -2.271 0.692 -5.227 58 HG LEU 10 HG LEU 10 -4.921 -0.828 -5.282 59 HD11 LEU 10 1HD1 LEU 10 -4.312 2.129 -4.896 60 HD12 LEU 10 2HD1 LEU 10 -4.849 0.995 -3.636 61 HD13 LEU 10 3HD1 LEU 10 -5.926 1.382 -4.988 62 HD21 LEU 10 3HD2 LEU 10 -4.054 -0.481 -7.566 63 HD22 LEU 10 1HD2 LEU 10 -3.775 1.240 -7.213 64 HD23 LEU 10 2HD2 LEU 10 -5.428 0.584 -7.250 65 H LYS 11 H LYS 11 0.206 -0.363 -6.106 66 HA LYS 11 HA LYS 11 1.553 -1.889 -3.910 67 HB2 LYS 11 1HB LYS 11 2.524 -1.524 -6.768 68 HB3 LYS 11 2HB LYS 11 3.555 -2.030 -5.425 69 HG2 LYS 11 1HG LYS 11 2.021 -3.971 -5.012 70 HG3 LYS 11 2HG LYS 11 1.089 -3.506 -6.435 71 HD2 LYS 11 1HD LYS 11 2.574 -5.288 -7.071 72 HD3 LYS 11 2HD LYS 11 3.103 -3.805 -7.853 73 HE2 LYS 11 1HE LYS 11 5.050 -4.983 -7.116 74 HE3 LYS 11 2HE LYS 11 4.897 -3.542 -6.116 75 HZ1 LYS 11 3HZ LYS 11 4.043 -4.933 -4.323 76 HZ2 LYS 11 1HZ LYS 11 5.442 -5.585 -4.853 77 HZ3 LYS 11 2HZ LYS 11 4.028 -6.265 -5.286 78 H CYS 12 H CYS 12 3.287 -1.048 -2.934 79 HA CYS 12 HA CYS 12 3.433 1.796 -2.601 80 HB2 CYS 12 1HB CYS 12 3.740 0.074 -0.871 81 HB3 CYS 12 2HB CYS 12 5.242 -0.449 -1.665 82 HA PRO 13 HA PRO 13 6.459 2.393 -5.904 83 HB2 PRO 13 1HB PRO 13 6.689 5.080 -5.876 84 HB3 PRO 13 2HB PRO 13 5.127 4.289 -6.255 85 HG2 PRO 13 1HG PRO 13 6.041 5.409 -3.579 86 HG3 PRO 13 2HG PRO 13 4.500 5.727 -4.439 87 HD2 PRO 13 1HD PRO 13 4.772 3.803 -2.482 88 HD3 PRO 13 2HD PRO 13 3.631 3.635 -3.852 89 H THR 14 H THR 14 7.212 3.011 -2.566 90 HA THR 14 HA THR 14 9.705 4.365 -2.897 91 HB THR 14 HB THR 14 8.711 2.788 -0.499 92 HG1 THR 14 1HG THR 14 7.933 4.823 0.130 93 HG21 THR 14 3HG2 THR 14 11.064 3.401 -0.195 94 HG22 THR 14 1HG2 THR 14 10.061 4.464 0.790 95 HG23 THR 14 2HG2 THR 14 10.736 5.063 -0.740 96 H ASP 15 H ASP 15 11.849 3.695 -2.812 97 HA ASP 15 HA ASP 15 12.443 1.104 -3.871 98 HB2 ASP 15 1HB ASP 15 14.738 1.743 -3.782 99 HB3 ASP 15 2HB ASP 15 13.780 3.095 -4.366 100 H GLY 16 H GLY 16 13.380 -0.707 -3.005 101 HA2 GLY 16 1HA GLY 16 13.943 -2.294 -1.425 102 HA3 GLY 16 2HA GLY 16 14.014 -1.042 -0.186 103 H CYS 17 H CYS 17 11.009 -0.584 -1.405 104 HA CYS 17 HA CYS 17 9.654 -2.370 0.540 105 HB2 CYS 17 1HB CYS 17 9.468 0.184 0.529 106 HB3 CYS 17 2HB CYS 17 8.502 -0.008 -0.948 107 H ASP 18 H ASP 18 7.791 -3.489 -0.065 108 HA ASP 18 HA ASP 18 7.176 -3.910 -2.928 109 HB2 ASP 18 1HB ASP 18 8.999 -5.528 -2.273 110 HB3 ASP 18 2HB ASP 18 7.883 -6.240 -1.107 111 H TYR 19 H TYR 19 5.900 -2.970 -0.221 112 HA TYR 19 HA TYR 19 3.782 -4.682 0.511 113 HB2 TYR 19 1HB TYR 19 4.466 -2.850 1.890 114 HB3 TYR 19 2HB TYR 19 4.167 -1.683 0.619 115 HD1 TYR 19 2HD TYR 19 2.608 -3.805 3.213 116 HD2 TYR 19 1HD TYR 19 1.879 -0.903 0.102 117 HE1 TYR 19 2HE TYR 19 0.321 -3.413 4.109 118 HE2 TYR 19 1HE TYR 19 -0.392 -0.495 1.021 119 HH TYR 19 HH TYR 19 -1.626 -2.231 3.901 120 H SER 20 H SER 20 1.651 -4.859 -0.028 121 HA SER 20 HA SER 20 0.544 -3.305 -2.248 122 HB2 SER 20 1HB SER 20 -0.214 -5.212 -3.522 123 HB3 SER 20 2HB SER 20 1.545 -5.277 -3.353 124 HG SER 20 HG SER 20 1.322 -6.852 -1.763 125 H THR 21 H THR 21 -1.698 -3.266 -2.414 126 HA THR 21 HA THR 21 -3.424 -4.689 -0.534 127 HB THR 21 HB THR 21 -2.570 -2.998 0.968 128 HG1 THR 21 1HG THR 21 -4.470 -2.135 1.582 129 HG21 THR 21 3HG2 THR 21 -3.603 -0.873 -0.960 130 HG22 THR 21 1HG2 THR 21 -1.891 -1.239 -0.680 131 HG23 THR 21 2HG2 THR 21 -2.884 -0.611 0.641 132 HA PRO 22 HA PRO 22 -6.204 -3.539 -3.865 133 HB2 PRO 22 1HB PRO 22 -8.627 -4.316 -2.918 134 HB3 PRO 22 2HB PRO 22 -7.335 -5.488 -3.321 135 HG2 PRO 22 1HG PRO 22 -8.020 -4.340 -0.589 136 HG3 PRO 22 2HG PRO 22 -7.811 -6.065 -1.040 137 HD2 PRO 22 1HD PRO 22 -5.797 -4.611 0.066 138 HD3 PRO 22 2HD PRO 22 -5.467 -5.840 -1.180 139 H ASP 23 H ASP 23 -6.189 -1.880 -0.839 140 HA ASP 23 HA ASP 23 -8.335 0.015 -1.708 141 HB2 ASP 23 1HB ASP 23 -8.449 -1.326 0.552 142 HB3 ASP 23 2HB ASP 23 -7.226 -0.203 1.061 143 H LYS 24 H LYS 24 -7.870 2.079 -2.202 144 HA LYS 24 HA LYS 24 -5.171 3.053 -2.298 145 HB2 LYS 24 1HB LYS 24 -6.106 5.102 -3.138 146 HB3 LYS 24 2HB LYS 24 -6.908 3.724 -3.889 147 HG2 LYS 24 1HG LYS 24 -8.849 4.038 -2.305 148 HG3 LYS 24 2HG LYS 24 -8.036 5.475 -1.649 149 HD2 LYS 24 1HD LYS 24 -8.063 6.518 -3.899 150 HD3 LYS 24 2HD LYS 24 -8.895 5.083 -4.549 151 HE2 LYS 24 1HE LYS 24 -10.770 5.471 -2.957 152 HE3 LYS 24 2HE LYS 24 -9.938 6.901 -2.334 153 HZ1 LYS 24 3HZ LYS 24 -10.116 7.891 -4.556 154 HZ2 LYS 24 1HZ LYS 24 -11.596 7.512 -3.986 155 HZ3 LYS 24 2HZ LYS 24 -10.899 6.574 -5.126 156 H TYR 25 H TYR 25 -7.637 3.428 0.226 157 HA TYR 25 HA TYR 25 -6.144 5.565 1.579 158 HB2 TYR 25 1HB TYR 25 -8.486 3.892 2.545 159 HB3 TYR 25 2HB TYR 25 -7.826 5.312 3.335 160 HD1 TYR 25 1HD TYR 25 -7.833 7.558 2.053 161 HD2 TYR 25 2HD TYR 25 -10.180 4.136 0.868 162 HE1 TYR 25 1HE TYR 25 -9.337 9.045 0.741 163 HE2 TYR 25 2HE TYR 25 -11.698 5.630 -0.427 164 HH TYR 25 HH TYR 25 -11.195 9.176 -0.599 165 H LYS 26 H LYS 26 -6.397 2.022 1.817 166 HA LYS 26 HA LYS 26 -4.734 1.712 4.177 167 HB2 LYS 26 1HB LYS 26 -5.192 -0.172 1.861 168 HB3 LYS 26 2HB LYS 26 -4.307 -0.554 3.339 169 HG2 LYS 26 1HG LYS 26 -6.346 -0.021 4.699 170 HG3 LYS 26 2HG LYS 26 -7.239 0.297 3.229 171 HD2 LYS 26 1HD LYS 26 -7.789 -1.890 3.937 172 HD3 LYS 26 2HD LYS 26 -6.764 -2.064 2.501 173 HE2 LYS 26 1HE LYS 26 -4.804 -2.523 3.994 174 HE3 LYS 26 2HE LYS 26 -5.857 -2.360 5.403 175 HZ1 LYS 26 3HZ LYS 26 -7.136 -4.268 4.577 176 HZ2 LYS 26 1HZ LYS 26 -5.572 -4.687 4.774 177 HZ3 LYS 26 2HZ LYS 26 -6.157 -4.416 3.275 178 H LEU 27 H LEU 27 -3.991 1.919 0.668 179 HA LEU 27 HA LEU 27 -1.166 1.688 0.984 180 HB2 LEU 27 1HB LEU 27 -2.387 1.395 -1.166 181 HB3 LEU 27 2HB LEU 27 -2.727 3.125 -1.182 182 HG LEU 27 HG LEU 27 -0.326 3.641 -1.368 183 HD11 LEU 27 1HD1 LEU 27 0.074 0.613 -1.382 184 HD12 LEU 27 2HD1 LEU 27 0.711 1.764 -0.179 185 HD13 LEU 27 3HD1 LEU 27 1.303 1.813 -1.834 186 HD21 LEU 27 3HD2 LEU 27 -1.176 1.517 -3.367 187 HD22 LEU 27 1HD2 LEU 27 0.030 2.793 -3.628 188 HD23 LEU 27 2HD2 LEU 27 -1.677 3.224 -3.413 189 H GLN 28 H GLN 28 -3.217 4.681 0.853 190 HA GLN 28 HA GLN 28 -1.113 6.552 1.262 191 HB2 GLN 28 1HB GLN 28 -4.027 6.539 2.128 192 HB3 GLN 28 2HB GLN 28 -2.978 7.918 2.415 193 HG2 GLN 28 1HG GLN 28 -3.443 6.748 -0.363 194 HG3 GLN 28 2HG GLN 28 -4.436 8.009 0.354 195 HE21 GLN 28 1HE2 GLN 28 -3.340 8.716 -1.989 196 HE22 GLN 28 2HE2 GLN 28 -1.958 9.773 -1.742 197 H ALA 29 H ALA 29 -3.030 4.786 3.735 198 HA ALA 29 HA ALA 29 -1.629 5.773 6.005 199 HB1 ALA 29 1HB ALA 29 -3.794 4.595 6.092 200 HB2 ALA 29 2HB ALA 29 -2.999 3.079 5.610 201 HB3 ALA 29 3HB ALA 29 -2.599 3.838 7.162 202 H HIS 30 H HIS 30 -0.653 3.215 3.715 203 HA HIS 30 HA HIS 30 1.668 2.423 5.343 204 HB2 HIS 30 1HB HIS 30 0.618 0.766 3.935 205 HB3 HIS 30 2HB HIS 30 0.833 1.766 2.499 206 HD1 HIS 30 1HD HIS 30 2.986 -0.251 4.997 207 HD2 HIS 30 2HD HIS 30 3.189 1.774 1.323 208 HE1 HIS 30 1HE HIS 30 5.313 -0.699 4.096 209 H LEU 31 H LEU 31 1.162 4.650 2.530 210 HA LEU 31 HA LEU 31 3.918 5.230 2.085 211 HB2 LEU 31 1HB LEU 31 1.473 7.005 1.801 212 HB3 LEU 31 2HB LEU 31 3.069 7.436 1.207 213 HG LEU 31 HG LEU 31 1.457 5.042 0.229 214 HD11 LEU 31 1HD1 LEU 31 0.468 7.218 -0.409 215 HD12 LEU 31 2HD1 LEU 31 1.129 6.354 -1.804 216 HD13 LEU 31 3HD1 LEU 31 2.026 7.718 -1.096 217 HD21 LEU 31 3HD2 LEU 31 3.837 4.608 -0.063 218 HD22 LEU 31 1HD2 LEU 31 4.070 6.225 -0.776 219 HD23 LEU 31 2HD2 LEU 31 3.090 5.000 -1.611 220 H LYS 32 H LYS 32 1.723 6.514 4.553 221 HA LYS 32 HA LYS 32 3.468 8.478 5.682 222 HB2 LYS 32 1HB LYS 32 1.212 6.834 6.888 223 HB3 LYS 32 2HB LYS 32 2.046 8.135 7.749 224 HG2 LYS 32 1HG LYS 32 1.402 9.764 6.032 225 HG3 LYS 32 2HG LYS 32 0.588 8.503 5.096 226 HD2 LYS 32 1HD LYS 32 -0.973 8.103 6.988 227 HD3 LYS 32 2HD LYS 32 -0.163 9.387 7.915 228 HE2 LYS 32 1HE LYS 32 -0.725 11.016 6.109 229 HE3 LYS 32 2HE LYS 32 -1.557 9.736 5.218 230 HZ1 LYS 32 3HZ LYS 32 -3.115 11.063 6.528 231 HZ2 LYS 32 1HZ LYS 32 -2.333 10.718 7.917 232 HZ3 LYS 32 2HZ LYS 32 -3.107 9.533 7.098 233 H VAL 33 H VAL 33 3.812 5.032 5.807 234 HA VAL 33 HA VAL 33 5.477 4.986 8.197 235 HB VAL 33 HB VAL 33 4.163 3.049 6.819 236 HG11 VAL 33 1HG1 VAL 33 5.669 1.472 5.809 237 HG12 VAL 33 2HG1 VAL 33 5.858 3.000 4.943 238 HG13 VAL 33 3HG1 VAL 33 7.080 2.494 6.124 239 HG21 VAL 33 3HG2 VAL 33 4.916 2.906 9.115 240 HG22 VAL 33 1HG2 VAL 33 5.307 1.435 8.211 241 HG23 VAL 33 2HG2 VAL 33 6.590 2.618 8.573 242 H HIS 34 H HIS 34 6.005 5.773 4.847 243 HA HIS 34 HA HIS 34 8.951 5.580 5.063 244 HB2 HIS 34 1HB HIS 34 7.119 6.264 2.733 245 HB3 HIS 34 2HB HIS 34 8.871 6.121 2.649 246 HD1 HIS 34 1HD HIS 34 9.723 3.506 3.657 247 HD2 HIS 34 2HD HIS 34 5.918 4.086 1.957 248 HE1 HIS 34 1HE HIS 34 8.945 1.208 2.927 249 H THR 35 H THR 35 6.443 8.107 5.043 250 HA THR 35 HA THR 35 8.365 10.275 4.635 251 HB THR 35 HB THR 35 6.487 11.769 5.158 252 HG1 THR 35 1HG THR 35 4.497 10.917 5.595 253 HG21 THR 35 3HG2 THR 35 5.070 11.226 3.249 254 HG22 THR 35 1HG2 THR 35 5.668 9.552 3.225 255 HG23 THR 35 2HG2 THR 35 6.764 10.897 2.840 256 H ALA 36 H ALA 36 7.205 8.543 7.448 257 HA ALA 36 HA ALA 36 7.973 10.501 9.420 258 HB1 ALA 36 1HB ALA 36 7.608 7.482 9.626 259 HB2 ALA 36 2HB ALA 36 7.722 8.615 10.991 260 HB3 ALA 36 3HB ALA 36 6.347 8.713 9.872 261 H LEU 37 H LEU 37 9.890 10.888 10.406 262 HA LEU 37 HA LEU 37 12.324 9.749 9.239 263 HB2 LEU 37 1HB LEU 37 11.967 12.179 9.562 264 HB3 LEU 37 2HB LEU 37 11.873 11.934 11.306 265 HG LEU 37 HG LEU 37 14.240 11.195 11.347 266 HD11 LEU 37 1HD1 LEU 37 15.666 11.563 9.336 267 HD12 LEU 37 2HD1 LEU 37 14.206 11.861 8.366 268 HD13 LEU 37 3HD1 LEU 37 14.504 10.261 9.084 269 HD21 LEU 37 3HD2 LEU 37 13.811 13.844 9.908 270 HD22 LEU 37 1HD2 LEU 37 15.237 13.383 10.865 271 HD23 LEU 37 2HD2 LEU 37 13.667 13.570 11.659 272 H ASP 38 H ASP 38 10.584 9.457 12.279 273 HA ASP 38 HA ASP 38 12.420 7.358 13.265 274 HB2 ASP 38 1HB ASP 38 13.316 9.453 14.202 275 HB3 ASP 38 2HB ASP 38 11.732 9.867 14.847 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -3.679 -21.875 -14.398 2 H2 GLY 1 2H GLY 1 -5.217 -22.441 -14.403 3 H3 GLY 1 3H GLY 1 -4.805 -21.198 -13.419 4 HA2 GLY 1 1HA GLY 1 -4.386 -19.760 -15.299 5 HA3 GLY 1 2HA GLY 1 -4.813 -21.107 -16.368 6 H SER 2 H SER 2 -6.013 -18.346 -15.789 7 HA SER 2 HA SER 2 -8.867 -19.175 -15.462 8 HB2 SER 2 1HB SER 2 -7.544 -16.797 -14.100 9 HB3 SER 2 2HB SER 2 -9.272 -17.194 -14.067 10 HG SER 2 HG SER 2 -8.165 -17.944 -12.195 11 H SER 3 H SER 3 -10.411 -17.771 -16.424 12 HA SER 3 HA SER 3 -9.545 -16.526 -18.899 13 HB2 SER 3 1HB SER 3 -11.983 -16.143 -19.209 14 HB3 SER 3 2HB SER 3 -11.567 -17.825 -18.843 15 HG SER 3 HG SER 3 -13.367 -17.074 -17.610 16 H GLY 4 H GLY 4 -10.010 -15.276 -15.720 17 HA2 GLY 4 1HA GLY 4 -9.121 -12.649 -16.372 18 HA3 GLY 4 2HA GLY 4 -10.874 -12.624 -16.155 19 H SER 5 H SER 5 -9.855 -11.081 -14.455 20 HA SER 5 HA SER 5 -9.686 -12.483 -11.819 21 HB2 SER 5 1HB SER 5 -7.923 -10.173 -12.728 22 HB3 SER 5 2HB SER 5 -7.982 -10.851 -11.091 23 HG SER 5 HG SER 5 -6.253 -11.714 -12.346 24 H SER 6 H SER 6 -10.569 -11.390 -10.066 25 HA SER 6 HA SER 6 -12.761 -9.640 -10.639 26 HB2 SER 6 1HB SER 6 -11.559 -10.373 -7.947 27 HB3 SER 6 2HB SER 6 -13.187 -9.735 -8.245 28 HG SER 6 HG SER 6 -13.183 -12.023 -8.021 29 H GLY 7 H GLY 7 -9.477 -8.855 -9.914 30 HA2 GLY 7 1HA GLY 7 -9.781 -6.063 -10.262 31 HA3 GLY 7 2HA GLY 7 -9.713 -6.386 -8.528 32 H ILE 8 H ILE 8 -7.783 -4.865 -9.249 33 HA ILE 8 HA ILE 8 -5.313 -6.536 -9.339 34 HB ILE 8 HB ILE 8 -5.689 -3.902 -10.821 35 HG12 ILE 8 1HG1 ILE 8 -5.426 -6.746 -11.903 36 HG13 ILE 8 2HG1 ILE 8 -6.865 -5.729 -11.982 37 HG21 ILE 8 1HG2 ILE 8 -3.388 -4.215 -9.919 38 HG22 ILE 8 2HG2 ILE 8 -3.296 -5.802 -10.717 39 HG23 ILE 8 3HG2 ILE 8 -3.399 -4.301 -11.663 40 HD11 ILE 8 3HD1 ILE 8 -4.276 -5.284 -13.495 41 HD12 ILE 8 1HD1 ILE 8 -5.873 -5.689 -14.136 42 HD13 ILE 8 2HD1 ILE 8 -5.602 -4.093 -13.407 43 H LEU 9 H LEU 9 -3.862 -6.035 -7.780 44 HA LEU 9 HA LEU 9 -4.620 -4.185 -5.671 45 HB2 LEU 9 1HB LEU 9 -2.350 -6.143 -6.110 46 HB3 LEU 9 2HB LEU 9 -2.241 -4.924 -4.848 47 HG LEU 9 HG LEU 9 -4.291 -5.711 -3.802 48 HD11 LEU 9 1HD1 LEU 9 -5.526 -6.732 -5.643 49 HD12 LEU 9 2HD1 LEU 9 -5.233 -7.939 -4.393 50 HD13 LEU 9 3HD1 LEU 9 -4.241 -7.947 -5.868 51 HD21 LEU 9 3HD2 LEU 9 -2.231 -7.897 -4.251 52 HD22 LEU 9 1HD2 LEU 9 -3.373 -7.799 -2.892 53 HD23 LEU 9 2HD2 LEU 9 -2.115 -6.569 -3.073 54 H LEU 10 H LEU 10 -3.615 -2.403 -4.934 55 HA LEU 10 HA LEU 10 -1.955 -0.778 -6.760 56 HB2 LEU 10 1HB LEU 10 -2.904 -0.147 -3.944 57 HB3 LEU 10 2HB LEU 10 -2.285 0.978 -5.151 58 HG LEU 10 HG LEU 10 -4.955 -0.489 -5.292 59 HD11 LEU 10 1HD1 LEU 10 -4.841 1.253 -3.559 60 HD12 LEU 10 2HD1 LEU 10 -5.918 1.723 -4.886 61 HD13 LEU 10 3HD1 LEU 10 -4.291 2.435 -4.768 62 HD21 LEU 10 3HD2 LEU 10 -3.765 1.645 -7.123 63 HD22 LEU 10 1HD2 LEU 10 -5.434 1.033 -7.190 64 HD23 LEU 10 2HD2 LEU 10 -4.087 -0.051 -7.558 65 H LYS 11 H LYS 11 0.153 -0.019 -6.066 66 HA LYS 11 HA LYS 11 1.552 -1.781 -4.081 67 HB2 LYS 11 1HB LYS 11 2.487 -1.035 -6.879 68 HB3 LYS 11 2HB LYS 11 3.433 -1.907 -5.670 69 HG2 LYS 11 1HG LYS 11 1.734 -3.736 -5.670 70 HG3 LYS 11 2HG LYS 11 0.837 -2.886 -6.943 71 HD2 LYS 11 1HD LYS 11 2.820 -3.025 -8.432 72 HD3 LYS 11 2HD LYS 11 3.701 -3.908 -7.164 73 HE2 LYS 11 1HE LYS 11 1.967 -5.689 -7.206 74 HE3 LYS 11 2HE LYS 11 1.086 -4.807 -8.460 75 HZ1 LYS 11 3HZ LYS 11 3.021 -5.084 -9.921 76 HZ2 LYS 11 1HZ LYS 11 2.490 -6.543 -9.419 77 HZ3 LYS 11 2HZ LYS 11 3.835 -5.900 -8.762 78 H CYS 12 H CYS 12 3.258 -0.973 -2.986 79 HA CYS 12 HA CYS 12 3.490 1.879 -2.627 80 HB2 CYS 12 1HB CYS 12 3.735 0.169 -0.870 81 HB3 CYS 12 2HB CYS 12 5.216 -0.416 -1.656 82 HA PRO 13 HA PRO 13 6.541 2.246 -5.965 83 HB2 PRO 13 1HB PRO 13 6.809 4.930 -6.077 84 HB3 PRO 13 2HB PRO 13 5.242 4.144 -6.438 85 HG2 PRO 13 1HG PRO 13 6.135 5.385 -3.809 86 HG3 PRO 13 2HG PRO 13 4.615 5.688 -4.709 87 HD2 PRO 13 1HD PRO 13 4.824 3.863 -2.651 88 HD3 PRO 13 2HD PRO 13 3.695 3.648 -4.026 89 H THR 14 H THR 14 7.241 2.694 -2.678 90 HA THR 14 HA THR 14 9.683 4.201 -2.866 91 HB THR 14 HB THR 14 8.797 2.487 -0.525 92 HG1 THR 14 1HG THR 14 7.130 3.808 -0.855 93 HG21 THR 14 3HG2 THR 14 9.950 4.300 0.774 94 HG22 THR 14 1HG2 THR 14 10.543 4.980 -0.752 95 HG23 THR 14 2HG2 THR 14 11.056 3.357 -0.225 96 H ASP 15 H ASP 15 11.828 3.610 -2.820 97 HA ASP 15 HA ASP 15 12.605 1.090 -3.894 98 HB2 ASP 15 1HB ASP 15 13.887 3.158 -4.199 99 HB3 ASP 15 2HB ASP 15 14.240 3.222 -2.468 100 H GLY 16 H GLY 16 13.286 -0.790 -3.025 101 HA2 GLY 16 1HA GLY 16 13.846 -2.414 -1.484 102 HA3 GLY 16 2HA GLY 16 14.030 -1.175 -0.243 103 H CYS 17 H CYS 17 10.968 -0.623 -1.341 104 HA CYS 17 HA CYS 17 9.666 -2.236 0.763 105 HB2 CYS 17 1HB CYS 17 9.374 0.262 0.388 106 HB3 CYS 17 2HB CYS 17 8.410 -0.169 -1.037 107 H ASP 18 H ASP 18 7.765 -3.398 0.331 108 HA ASP 18 HA ASP 18 7.457 -4.630 -2.369 109 HB2 ASP 18 1HB ASP 18 9.137 -5.899 -0.963 110 HB3 ASP 18 2HB ASP 18 7.844 -6.231 0.188 111 H TYR 19 H TYR 19 5.877 -2.950 -0.188 112 HA TYR 19 HA TYR 19 3.639 -4.591 0.568 113 HB2 TYR 19 1HB TYR 19 4.402 -2.754 1.925 114 HB3 TYR 19 2HB TYR 19 4.153 -1.611 0.624 115 HD1 TYR 19 2HD TYR 19 2.527 -3.681 3.220 116 HD2 TYR 19 1HD TYR 19 1.853 -0.835 0.044 117 HE1 TYR 19 2HE TYR 19 0.211 -3.300 4.048 118 HE2 TYR 19 1HE TYR 19 -0.449 -0.445 0.892 119 HH TYR 19 HH TYR 19 -1.749 -2.157 3.756 120 H SER 20 H SER 20 1.630 -4.813 -0.222 121 HA SER 20 HA SER 20 0.595 -3.074 -2.335 122 HB2 SER 20 1HB SER 20 -0.160 -4.960 -3.740 123 HB3 SER 20 2HB SER 20 1.610 -4.842 -3.655 124 HG SER 20 HG SER 20 0.931 -6.999 -3.392 125 H THR 21 H THR 21 -1.673 -3.130 -2.590 126 HA THR 21 HA THR 21 -3.365 -4.674 -0.758 127 HB THR 21 HB THR 21 -2.583 -3.020 0.793 128 HG1 THR 21 1HG THR 21 -4.486 -2.345 1.463 129 HG21 THR 21 3HG2 THR 21 -3.606 -0.858 -1.101 130 HG22 THR 21 1HG2 THR 21 -1.896 -1.203 -0.784 131 HG23 THR 21 2HG2 THR 21 -2.935 -0.624 0.525 132 HA PRO 22 HA PRO 22 -6.221 -3.495 -4.031 133 HB2 PRO 22 1HB PRO 22 -8.610 -4.344 -3.050 134 HB3 PRO 22 2HB PRO 22 -7.315 -5.477 -3.541 135 HG2 PRO 22 1HG PRO 22 -7.932 -4.464 -0.743 136 HG3 PRO 22 2HG PRO 22 -7.710 -6.163 -1.277 137 HD2 PRO 22 1HD PRO 22 -5.689 -4.727 -0.163 138 HD3 PRO 22 2HD PRO 22 -5.371 -5.886 -1.478 139 H ASP 23 H ASP 23 -6.117 -1.916 -0.976 140 HA ASP 23 HA ASP 23 -8.354 -0.061 -1.683 141 HB2 ASP 23 1HB ASP 23 -8.427 -1.473 0.481 142 HB3 ASP 23 2HB ASP 23 -7.104 -0.488 1.006 143 H LYS 24 H LYS 24 -8.017 2.035 -2.045 144 HA LYS 24 HA LYS 24 -5.437 3.233 -2.305 145 HB2 LYS 24 1HB LYS 24 -7.436 3.915 -3.562 146 HB3 LYS 24 2HB LYS 24 -8.226 4.459 -2.074 147 HG2 LYS 24 1HG LYS 24 -6.536 6.223 -1.778 148 HG3 LYS 24 2HG LYS 24 -5.645 5.631 -3.194 149 HD2 LYS 24 1HD LYS 24 -7.591 6.162 -4.637 150 HD3 LYS 24 2HD LYS 24 -8.505 6.710 -3.213 151 HE2 LYS 24 1HE LYS 24 -6.798 8.459 -2.790 152 HE3 LYS 24 2HE LYS 24 -5.879 7.915 -4.201 153 HZ1 LYS 24 3HZ LYS 24 -8.640 9.019 -4.291 154 HZ2 LYS 24 1HZ LYS 24 -7.791 8.516 -5.593 155 HZ3 LYS 24 2HZ LYS 24 -7.292 9.815 -4.746 156 H TYR 25 H TYR 25 -7.761 3.406 0.400 157 HA TYR 25 HA TYR 25 -6.212 5.458 1.786 158 HB2 TYR 25 1HB TYR 25 -8.538 3.812 2.819 159 HB3 TYR 25 2HB TYR 25 -7.896 5.299 3.499 160 HD1 TYR 25 2HD TYR 25 -7.989 7.451 2.072 161 HD2 TYR 25 1HD TYR 25 -10.203 3.874 1.099 162 HE1 TYR 25 2HE TYR 25 -9.476 8.778 0.582 163 HE2 TYR 25 1HE TYR 25 -11.690 5.209 -0.397 164 HH TYR 25 HH TYR 25 -11.268 8.743 -0.847 165 H LYS 26 H LYS 26 -6.543 1.894 1.991 166 HA LYS 26 HA LYS 26 -4.773 1.579 4.271 167 HB2 LYS 26 1HB LYS 26 -5.193 -0.311 1.930 168 HB3 LYS 26 2HB LYS 26 -4.383 -0.705 3.433 169 HG2 LYS 26 1HG LYS 26 -6.479 -0.231 4.707 170 HG3 LYS 26 2HG LYS 26 -7.326 0.047 3.195 171 HD2 LYS 26 1HD LYS 26 -6.762 -2.302 2.488 172 HD3 LYS 26 2HD LYS 26 -5.958 -2.546 4.053 173 HE2 LYS 26 1HE LYS 26 -8.100 -2.031 5.219 174 HE3 LYS 26 2HE LYS 26 -8.897 -1.812 3.656 175 HZ1 LYS 26 3HZ LYS 26 -9.268 -4.044 4.536 176 HZ2 LYS 26 1HZ LYS 26 -7.668 -4.350 4.604 177 HZ3 LYS 26 2HZ LYS 26 -8.404 -4.152 3.156 178 H LEU 27 H LEU 27 -4.079 1.868 0.748 179 HA LEU 27 HA LEU 27 -1.247 1.642 1.066 180 HB2 LEU 27 1HB LEU 27 -2.431 1.405 -1.105 181 HB3 LEU 27 2HB LEU 27 -2.817 3.121 -1.068 182 HG LEU 27 HG LEU 27 -0.450 3.724 -1.224 183 HD11 LEU 27 1HD1 LEU 27 0.658 1.866 -0.057 184 HD12 LEU 27 2HD1 LEU 27 1.276 1.997 -1.698 185 HD13 LEU 27 3HD1 LEU 27 0.101 0.722 -1.308 186 HD21 LEU 27 3HD2 LEU 27 -1.766 3.271 -3.289 187 HD22 LEU 27 1HD2 LEU 27 -1.161 1.597 -3.265 188 HD23 LEU 27 2HD2 LEU 27 -0.032 2.949 -3.493 189 H GLN 28 H GLN 28 -3.324 4.614 1.014 190 HA GLN 28 HA GLN 28 -1.259 6.509 1.480 191 HB2 GLN 28 1HB GLN 28 -4.171 6.410 2.372 192 HB3 GLN 28 2HB GLN 28 -3.116 7.793 2.695 193 HG2 GLN 28 1HG GLN 28 -2.638 8.042 0.331 194 HG3 GLN 28 2HG GLN 28 -3.684 6.697 -0.093 195 HE21 GLN 28 1HE2 GLN 28 -4.202 9.109 -1.313 196 HE22 GLN 28 2HE2 GLN 28 -5.653 9.820 -0.612 197 H ALA 29 H ALA 29 -3.096 4.631 3.858 198 HA ALA 29 HA ALA 29 -1.719 5.543 6.178 199 HB1 ALA 29 1HB ALA 29 -3.914 4.426 6.214 200 HB2 ALA 29 2HB ALA 29 -3.155 2.899 5.708 201 HB3 ALA 29 3HB ALA 29 -2.759 3.609 7.284 202 H HIS 30 H HIS 30 -0.627 3.222 3.769 203 HA HIS 30 HA HIS 30 1.656 2.345 5.470 204 HB2 HIS 30 1HB HIS 30 0.661 0.657 4.060 205 HB3 HIS 30 2HB HIS 30 0.791 1.682 2.629 206 HD1 HIS 30 1HD HIS 30 3.107 -0.245 5.049 207 HD2 HIS 30 2HD HIS 30 3.112 1.798 1.378 208 HE1 HIS 30 1HE HIS 30 5.428 -0.572 4.085 209 H LEU 31 H LEU 31 1.098 4.478 2.594 210 HA LEU 31 HA LEU 31 3.810 4.970 2.005 211 HB2 LEU 31 1HB LEU 31 1.354 6.721 1.715 212 HB3 LEU 31 2HB LEU 31 2.917 7.177 1.055 213 HG LEU 31 HG LEU 31 1.475 4.610 0.264 214 HD11 LEU 31 1HD1 LEU 31 0.149 6.584 -0.395 215 HD12 LEU 31 2HD1 LEU 31 0.878 5.807 -1.806 216 HD13 LEU 31 3HD1 LEU 31 1.587 7.303 -1.157 217 HD21 LEU 31 3HD2 LEU 31 2.973 4.669 -1.666 218 HD22 LEU 31 1HD2 LEU 31 3.884 4.514 -0.166 219 HD23 LEU 31 2HD2 LEU 31 3.814 6.087 -0.997 220 H LYS 32 H LYS 32 1.808 6.588 4.477 221 HA LYS 32 HA LYS 32 3.698 8.565 5.262 222 HB2 LYS 32 1HB LYS 32 2.524 8.660 7.388 223 HB3 LYS 32 2HB LYS 32 1.425 8.700 6.011 224 HG2 LYS 32 1HG LYS 32 0.657 6.479 6.408 225 HG3 LYS 32 2HG LYS 32 1.980 6.129 7.542 226 HD2 LYS 32 1HD LYS 32 1.097 7.728 9.161 227 HD3 LYS 32 2HD LYS 32 -0.143 8.260 8.025 228 HE2 LYS 32 1HE LYS 32 -1.053 6.798 9.776 229 HE3 LYS 32 2HE LYS 32 -1.307 6.145 8.159 230 HZ1 LYS 32 3HZ LYS 32 -0.527 4.484 9.813 231 HZ2 LYS 32 1HZ LYS 32 0.904 5.260 9.941 232 HZ3 LYS 32 2HZ LYS 32 0.446 4.573 8.508 233 H VAL 33 H VAL 33 3.886 5.145 5.831 234 HA VAL 33 HA VAL 33 5.651 5.197 8.098 235 HB VAL 33 HB VAL 33 4.293 3.242 6.846 236 HG11 VAL 33 1HG1 VAL 33 5.879 3.143 4.876 237 HG12 VAL 33 2HG1 VAL 33 7.154 2.616 5.992 238 HG13 VAL 33 3HG1 VAL 33 5.703 1.627 5.764 239 HG21 VAL 33 3HG2 VAL 33 5.436 1.623 8.183 240 HG22 VAL 33 1HG2 VAL 33 6.789 2.753 8.467 241 HG23 VAL 33 2HG2 VAL 33 5.156 3.115 9.090 242 H HIS 34 H HIS 34 6.189 5.872 4.732 243 HA HIS 34 HA HIS 34 9.140 5.737 4.974 244 HB2 HIS 34 1HB HIS 34 7.340 6.325 2.597 245 HB3 HIS 34 2HB HIS 34 9.082 6.098 2.548 246 HD1 HIS 34 1HD HIS 34 9.795 3.475 3.641 247 HD2 HIS 34 2HD HIS 34 6.043 4.203 1.883 248 HE1 HIS 34 1HE HIS 34 8.926 1.204 2.914 249 H THR 35 H THR 35 6.657 8.133 5.270 250 HA THR 35 HA THR 35 8.583 10.360 4.715 251 HB THR 35 HB THR 35 6.687 11.672 3.918 252 HG1 THR 35 1HG THR 35 4.711 10.660 3.601 253 HG21 THR 35 3HG2 THR 35 6.305 10.568 1.805 254 HG22 THR 35 1HG2 THR 35 6.758 8.987 2.476 255 HG23 THR 35 2HG2 THR 35 7.981 10.267 2.296 256 H ALA 36 H ALA 36 7.083 8.984 7.332 257 HA ALA 36 HA ALA 36 6.051 11.175 8.762 258 HB1 ALA 36 1HB ALA 36 5.754 8.842 9.445 259 HB2 ALA 36 2HB ALA 36 7.494 8.694 9.787 260 HB3 ALA 36 3HB ALA 36 6.479 9.777 10.763 261 H LEU 37 H LEU 37 6.848 12.590 10.250 262 HA LEU 37 HA LEU 37 8.171 14.177 11.104 263 HB2 LEU 37 1HB LEU 37 10.278 12.017 11.345 264 HB3 LEU 37 2HB LEU 37 10.184 13.505 12.274 265 HG LEU 37 HG LEU 37 8.192 11.202 12.418 266 HD11 LEU 37 1HD1 LEU 37 9.124 10.863 14.658 267 HD12 LEU 37 2HD1 LEU 37 10.276 12.194 14.404 268 HD13 LEU 37 3HD1 LEU 37 10.388 10.713 13.428 269 HD21 LEU 37 3HD2 LEU 37 7.280 12.409 14.389 270 HD22 LEU 37 1HD2 LEU 37 7.040 13.324 12.898 271 HD23 LEU 37 2HD2 LEU 37 8.335 13.793 14.025 272 H ASP 38 H ASP 38 8.399 13.763 8.112 273 HA ASP 38 HA ASP 38 10.970 14.884 7.346 274 HB2 ASP 38 1HB ASP 38 9.647 13.517 5.815 275 HB3 ASP 38 2HB ASP 38 8.330 14.686 5.863 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -21.896 -5.121 -9.178 2 H2 GLY 1 2H GLY 1 -22.952 -6.347 -8.927 3 H3 GLY 1 3H GLY 1 -22.567 -5.899 -10.455 4 HA2 GLY 1 1HA GLY 1 -21.435 -7.945 -9.887 5 HA3 GLY 1 2HA GLY 1 -20.296 -6.619 -10.185 6 H SER 2 H SER 2 -20.167 -9.126 -8.470 7 HA SER 2 HA SER 2 -20.234 -8.306 -5.710 8 HB2 SER 2 1HB SER 2 -18.944 -10.756 -6.960 9 HB3 SER 2 2HB SER 2 -19.383 -10.538 -5.256 10 HG SER 2 HG SER 2 -20.979 -11.716 -6.414 11 H SER 3 H SER 3 -17.788 -7.795 -8.051 12 HA SER 3 HA SER 3 -15.894 -6.861 -6.000 13 HB2 SER 3 1HB SER 3 -15.356 -9.299 -6.510 14 HB3 SER 3 2HB SER 3 -14.947 -8.781 -8.156 15 HG SER 3 HG SER 3 -13.127 -8.833 -6.711 16 H GLY 4 H GLY 4 -13.983 -5.772 -7.100 17 HA2 GLY 4 1HA GLY 4 -14.939 -3.721 -8.928 18 HA3 GLY 4 2HA GLY 4 -13.311 -3.885 -8.281 19 H SER 5 H SER 5 -13.551 -3.024 -10.808 20 HA SER 5 HA SER 5 -13.525 -5.132 -12.802 21 HB2 SER 5 1HB SER 5 -12.976 -3.272 -14.347 22 HB3 SER 5 2HB SER 5 -14.409 -2.967 -13.351 23 HG SER 5 HG SER 5 -12.990 -1.149 -13.432 24 H SER 6 H SER 6 -11.007 -3.689 -10.852 25 HA SER 6 HA SER 6 -8.813 -4.439 -12.639 26 HB2 SER 6 1HB SER 6 -8.617 -2.512 -11.121 27 HB3 SER 6 2HB SER 6 -8.730 -3.603 -9.722 28 HG SER 6 HG SER 6 -6.552 -3.141 -10.296 29 H GLY 7 H GLY 7 -7.503 -6.174 -12.559 30 HA2 GLY 7 1HA GLY 7 -8.299 -8.565 -11.016 31 HA3 GLY 7 2HA GLY 7 -7.088 -8.458 -12.299 32 H ILE 8 H ILE 8 -6.231 -5.965 -10.327 33 HA ILE 8 HA ILE 8 -4.363 -7.652 -8.720 34 HB ILE 8 HB ILE 8 -2.505 -6.270 -9.433 35 HG12 ILE 8 1HG1 ILE 8 -4.356 -5.067 -11.539 36 HG13 ILE 8 2HG1 ILE 8 -3.790 -4.223 -10.094 37 HG21 ILE 8 1HG2 ILE 8 -2.112 -7.361 -11.533 38 HG22 ILE 8 2HG2 ILE 8 -3.066 -8.451 -10.528 39 HG23 ILE 8 3HG2 ILE 8 -3.850 -7.543 -11.840 40 HD11 ILE 8 3HD1 ILE 8 -1.433 -4.533 -10.855 41 HD12 ILE 8 1HD1 ILE 8 -2.053 -5.220 -12.377 42 HD13 ILE 8 2HD1 ILE 8 -2.426 -3.543 -11.947 43 H LEU 9 H LEU 9 -3.240 -6.693 -7.054 44 HA LEU 9 HA LEU 9 -4.566 -4.590 -5.506 45 HB2 LEU 9 1HB LEU 9 -2.108 -6.346 -5.160 46 HB3 LEU 9 2HB LEU 9 -2.405 -4.966 -4.115 47 HG LEU 9 HG LEU 9 -4.490 -5.855 -3.340 48 HD11 LEU 9 1HD1 LEU 9 -3.932 -8.299 -5.065 49 HD12 LEU 9 2HD1 LEU 9 -5.324 -7.192 -5.197 50 HD13 LEU 9 3HD1 LEU 9 -5.152 -8.219 -3.775 51 HD21 LEU 9 3HD2 LEU 9 -2.413 -6.436 -2.167 52 HD22 LEU 9 1HD2 LEU 9 -2.248 -7.894 -3.162 53 HD23 LEU 9 2HD2 LEU 9 -3.608 -7.731 -2.028 54 H LEU 10 H LEU 10 -3.514 -2.678 -4.777 55 HA LEU 10 HA LEU 10 -1.822 -1.257 -6.739 56 HB2 LEU 10 1HB LEU 10 -2.684 -0.388 -3.957 57 HB3 LEU 10 2HB LEU 10 -2.071 0.626 -5.259 58 HG LEU 10 HG LEU 10 -4.779 -0.784 -5.251 59 HD11 LEU 10 1HD1 LEU 10 -4.603 1.026 -3.595 60 HD12 LEU 10 2HD1 LEU 10 -5.691 1.464 -4.923 61 HD13 LEU 10 3HD1 LEU 10 -4.049 2.145 -4.859 62 HD21 LEU 10 3HD2 LEU 10 -5.268 0.658 -7.201 63 HD22 LEU 10 1HD2 LEU 10 -3.935 -0.453 -7.548 64 HD23 LEU 10 2HD2 LEU 10 -3.593 1.255 -7.187 65 H LYS 11 H LYS 11 0.331 -0.499 -6.144 66 HA LYS 11 HA LYS 11 1.619 -1.927 -3.851 67 HB2 LYS 11 1HB LYS 11 2.571 -1.777 -6.721 68 HB3 LYS 11 2HB LYS 11 3.735 -1.838 -5.395 69 HG2 LYS 11 1HG LYS 11 2.523 -3.863 -4.501 70 HG3 LYS 11 2HG LYS 11 1.612 -3.921 -6.024 71 HD2 LYS 11 1HD LYS 11 3.767 -4.155 -7.262 72 HD3 LYS 11 2HD LYS 11 4.655 -4.008 -5.729 73 HE2 LYS 11 1HE LYS 11 3.351 -6.031 -4.893 74 HE3 LYS 11 2HE LYS 11 2.753 -6.243 -6.545 75 HZ1 LYS 11 3HZ LYS 11 5.599 -6.303 -5.666 76 HZ2 LYS 11 1HZ LYS 11 5.128 -6.414 -7.238 77 HZ3 LYS 11 2HZ LYS 11 4.727 -7.587 -6.171 78 H CYS 12 H CYS 12 3.246 -1.059 -2.809 79 HA CYS 12 HA CYS 12 3.370 1.769 -2.444 80 HB2 CYS 12 1HB CYS 12 3.738 0.046 -0.745 81 HB3 CYS 12 2HB CYS 12 5.220 -0.473 -1.582 82 HA PRO 13 HA PRO 13 6.300 2.567 -5.768 83 HB2 PRO 13 1HB PRO 13 6.521 5.254 -5.603 84 HB3 PRO 13 2HB PRO 13 4.961 4.470 -5.997 85 HG2 PRO 13 1HG PRO 13 5.910 5.449 -3.277 86 HG3 PRO 13 2HG PRO 13 4.356 5.809 -4.097 87 HD2 PRO 13 1HD PRO 13 4.636 3.790 -2.255 88 HD3 PRO 13 2HD PRO 13 3.510 3.670 -3.643 89 H THR 14 H THR 14 7.157 3.020 -2.427 90 HA THR 14 HA THR 14 9.630 4.404 -2.776 91 HB THR 14 HB THR 14 8.719 2.707 -0.429 92 HG1 THR 14 1HG THR 14 8.009 4.723 0.333 93 HG21 THR 14 3HG2 THR 14 10.145 4.290 0.895 94 HG22 THR 14 1HG2 THR 14 10.777 4.955 -0.625 95 HG23 THR 14 2HG2 THR 14 11.091 3.261 -0.179 96 H ASP 15 H ASP 15 11.759 3.766 -2.861 97 HA ASP 15 HA ASP 15 12.399 1.305 -4.111 98 HB2 ASP 15 1HB ASP 15 13.718 3.354 -4.356 99 HB3 ASP 15 2HB ASP 15 14.180 3.291 -2.654 100 H GLY 16 H GLY 16 13.088 -0.644 -3.422 101 HA2 GLY 16 1HA GLY 16 13.708 -2.383 -2.034 102 HA3 GLY 16 2HA GLY 16 13.970 -1.244 -0.716 103 H CYS 17 H CYS 17 10.878 -0.555 -1.602 104 HA CYS 17 HA CYS 17 9.648 -2.397 0.366 105 HB2 CYS 17 1HB CYS 17 9.481 0.154 0.431 106 HB3 CYS 17 2HB CYS 17 8.408 0.010 -0.974 107 H ASP 18 H ASP 18 7.848 -3.618 -0.128 108 HA ASP 18 HA ASP 18 6.936 -3.904 -2.928 109 HB2 ASP 18 1HB ASP 18 8.879 -5.477 -2.563 110 HB3 ASP 18 2HB ASP 18 7.914 -6.303 -1.340 111 H TYR 19 H TYR 19 5.860 -2.984 -0.246 112 HA TYR 19 HA TYR 19 3.763 -4.730 0.620 113 HB2 TYR 19 1HB TYR 19 4.518 -2.900 1.985 114 HB3 TYR 19 2HB TYR 19 4.177 -1.732 0.722 115 HD1 TYR 19 2HD TYR 19 2.699 -3.862 3.357 116 HD2 TYR 19 1HD TYR 19 1.875 -0.953 0.272 117 HE1 TYR 19 2HE TYR 19 0.450 -3.431 4.348 118 HE2 TYR 19 1HE TYR 19 -0.339 -0.506 1.282 119 HH TYR 19 HH TYR 19 -1.765 -0.947 3.035 120 H SER 20 H SER 20 1.640 -4.913 0.054 121 HA SER 20 HA SER 20 0.553 -3.294 -2.145 122 HB2 SER 20 1HB SER 20 -0.316 -5.220 -3.355 123 HB3 SER 20 2HB SER 20 1.451 -5.260 -3.296 124 HG SER 20 HG SER 20 1.362 -6.829 -1.701 125 H THR 21 H THR 21 -1.686 -3.229 -2.340 126 HA THR 21 HA THR 21 -3.453 -4.594 -0.468 127 HB THR 21 HB THR 21 -2.607 -2.930 1.061 128 HG1 THR 21 1HG THR 21 -4.502 -2.321 1.725 129 HG21 THR 21 3HG2 THR 21 -2.876 -0.543 0.744 130 HG22 THR 21 1HG2 THR 21 -3.539 -0.779 -0.885 131 HG23 THR 21 2HG2 THR 21 -1.843 -1.177 -0.542 132 HA PRO 22 HA PRO 22 -6.082 -3.420 -3.895 133 HB2 PRO 22 1HB PRO 22 -8.540 -4.231 -3.092 134 HB3 PRO 22 2HB PRO 22 -7.206 -5.381 -3.413 135 HG2 PRO 22 1HG PRO 22 -8.062 -4.233 -0.728 136 HG3 PRO 22 2HG PRO 22 -7.816 -5.959 -1.160 137 HD2 PRO 22 1HD PRO 22 -5.875 -4.486 0.050 138 HD3 PRO 22 2HD PRO 22 -5.473 -5.716 -1.176 139 H ASP 23 H ASP 23 -6.183 -1.707 -0.917 140 HA ASP 23 HA ASP 23 -8.249 0.202 -1.949 141 HB2 ASP 23 1HB ASP 23 -8.559 -1.100 0.324 142 HB3 ASP 23 2HB ASP 23 -7.372 0.032 0.904 143 H LYS 24 H LYS 24 -7.695 2.245 -2.425 144 HA LYS 24 HA LYS 24 -4.992 3.162 -2.291 145 HB2 LYS 24 1HB LYS 24 -5.691 5.147 -3.284 146 HB3 LYS 24 2HB LYS 24 -6.664 3.879 -3.997 147 HG2 LYS 24 1HG LYS 24 -7.584 5.880 -1.876 148 HG3 LYS 24 2HG LYS 24 -7.907 5.962 -3.603 149 HD2 LYS 24 1HD LYS 24 -9.171 3.794 -3.444 150 HD3 LYS 24 2HD LYS 24 -8.962 3.859 -1.675 151 HE2 LYS 24 1HE LYS 24 -10.078 6.068 -1.628 152 HE3 LYS 24 2HE LYS 24 -10.335 5.977 -3.374 153 HZ1 LYS 24 3HZ LYS 24 -11.686 3.978 -3.002 154 HZ2 LYS 24 1HZ LYS 24 -12.297 5.228 -2.154 155 HZ3 LYS 24 2HZ LYS 24 -11.443 4.064 -1.386 156 H TYR 25 H TYR 25 -7.601 3.579 0.085 157 HA TYR 25 HA TYR 25 -6.153 5.672 1.549 158 HB2 TYR 25 1HB TYR 25 -8.425 3.875 2.459 159 HB3 TYR 25 2HB TYR 25 -7.831 5.300 3.288 160 HD1 TYR 25 1HD TYR 25 -7.605 7.353 1.170 161 HD2 TYR 25 2HD TYR 25 -10.631 4.350 1.853 162 HE1 TYR 25 1HE TYR 25 -9.299 8.810 0.083 163 HE2 TYR 25 2HE TYR 25 -12.335 5.835 0.811 164 HH TYR 25 HH TYR 25 -12.746 7.858 -0.196 165 H LYS 26 H LYS 26 -6.436 2.124 1.736 166 HA LYS 26 HA LYS 26 -4.788 1.800 4.109 167 HB2 LYS 26 1HB LYS 26 -5.322 -0.120 1.808 168 HB3 LYS 26 2HB LYS 26 -4.540 -0.539 3.330 169 HG2 LYS 26 1HG LYS 26 -6.603 0.072 4.574 170 HG3 LYS 26 2HG LYS 26 -7.418 0.444 3.066 171 HD2 LYS 26 1HD LYS 26 -7.048 -1.932 2.322 172 HD3 LYS 26 2HD LYS 26 -6.276 -2.268 3.885 173 HE2 LYS 26 1HE LYS 26 -8.372 -1.591 5.052 174 HE3 LYS 26 2HE LYS 26 -9.142 -1.291 3.489 175 HZ1 LYS 26 3HZ LYS 26 -8.125 -3.930 4.411 176 HZ2 LYS 26 1HZ LYS 26 -8.838 -3.657 2.965 177 HZ3 LYS 26 2HZ LYS 26 -9.695 -3.497 4.344 178 H LEU 27 H LEU 27 -4.028 2.055 0.630 179 HA LEU 27 HA LEU 27 -1.206 1.646 0.977 180 HB2 LEU 27 1HB LEU 27 -2.404 1.436 -1.190 181 HB3 LEU 27 2HB LEU 27 -2.683 3.177 -1.185 182 HG LEU 27 HG LEU 27 -0.246 3.596 -1.303 183 HD11 LEU 27 1HD1 LEU 27 1.282 1.693 -1.816 184 HD12 LEU 27 2HD1 LEU 27 -0.013 0.553 -1.403 185 HD13 LEU 27 3HD1 LEU 27 0.679 1.637 -0.167 186 HD21 LEU 27 3HD2 LEU 27 -1.187 1.600 -3.387 187 HD22 LEU 27 1HD2 LEU 27 0.100 2.805 -3.588 188 HD23 LEU 27 2HD2 LEU 27 -1.578 3.335 -3.379 189 H GLN 28 H GLN 28 -3.129 4.707 0.796 190 HA GLN 28 HA GLN 28 -1.017 6.541 1.228 191 HB2 GLN 28 1HB GLN 28 -3.959 6.539 2.014 192 HB3 GLN 28 2HB GLN 28 -2.896 7.911 2.367 193 HG2 GLN 28 1HG GLN 28 -2.332 8.181 0.062 194 HG3 GLN 28 2HG GLN 28 -3.244 6.769 -0.436 195 HE21 GLN 28 1HE2 GLN 28 -4.027 8.789 -1.878 196 HE22 GLN 28 2HE2 GLN 28 -5.493 9.539 -1.262 197 H ALA 29 H ALA 29 -2.991 4.861 3.652 198 HA ALA 29 HA ALA 29 -1.663 5.780 5.985 199 HB1 ALA 29 1HB ALA 29 -3.012 3.093 5.487 200 HB2 ALA 29 2HB ALA 29 -2.671 3.816 7.070 201 HB3 ALA 29 3HB ALA 29 -3.826 4.597 5.972 202 H HIS 30 H HIS 30 -0.602 3.242 3.701 203 HA HIS 30 HA HIS 30 1.667 2.448 5.417 204 HB2 HIS 30 1HB HIS 30 0.655 0.764 4.028 205 HB3 HIS 30 2HB HIS 30 0.875 1.734 2.573 206 HD1 HIS 30 1HD HIS 30 2.982 -0.327 5.056 207 HD2 HIS 30 2HD HIS 30 3.259 1.790 1.441 208 HE1 HIS 30 1HE HIS 30 5.303 -0.812 4.153 209 H LEU 31 H LEU 31 1.188 4.690 2.615 210 HA LEU 31 HA LEU 31 3.950 5.251 2.179 211 HB2 LEU 31 1HB LEU 31 1.643 7.210 2.009 212 HB3 LEU 31 2HB LEU 31 3.236 7.434 1.312 213 HG LEU 31 HG LEU 31 1.168 5.389 0.437 214 HD11 LEU 31 1HD1 LEU 31 1.106 6.692 -1.619 215 HD12 LEU 31 2HD1 LEU 31 2.323 7.817 -0.972 216 HD13 LEU 31 3HD1 LEU 31 0.710 7.717 -0.230 217 HD21 LEU 31 3HD2 LEU 31 3.388 4.401 0.127 218 HD22 LEU 31 1HD2 LEU 31 3.956 5.889 -0.671 219 HD23 LEU 31 2HD2 LEU 31 2.695 4.880 -1.421 220 H LYS 32 H LYS 32 1.774 6.508 4.695 221 HA LYS 32 HA LYS 32 3.549 8.411 5.861 222 HB2 LYS 32 1HB LYS 32 1.426 6.706 7.217 223 HB3 LYS 32 2HB LYS 32 2.253 8.096 7.927 224 HG2 LYS 32 1HG LYS 32 1.386 9.399 5.812 225 HG3 LYS 32 2HG LYS 32 0.222 8.071 5.680 226 HD2 LYS 32 1HD LYS 32 0.681 9.864 8.089 227 HD3 LYS 32 2HD LYS 32 -0.669 10.014 6.963 228 HE2 LYS 32 1HE LYS 32 -1.710 8.030 7.728 229 HE3 LYS 32 2HE LYS 32 -0.221 7.418 8.463 230 HZ1 LYS 32 3HZ LYS 32 -0.337 9.173 10.109 231 HZ2 LYS 32 1HZ LYS 32 -1.716 8.276 10.165 232 HZ3 LYS 32 2HZ LYS 32 -1.707 9.781 9.502 233 H VAL 33 H VAL 33 3.810 4.926 5.964 234 HA VAL 33 HA VAL 33 5.537 4.838 8.297 235 HB VAL 33 HB VAL 33 4.172 2.941 6.893 236 HG11 VAL 33 1HG1 VAL 33 5.857 2.872 5.018 237 HG12 VAL 33 2HG1 VAL 33 7.081 2.346 6.192 238 HG13 VAL 33 3HG1 VAL 33 5.655 1.343 5.878 239 HG21 VAL 33 3HG2 VAL 33 4.918 2.769 9.191 240 HG22 VAL 33 1HG2 VAL 33 5.277 1.294 8.279 241 HG23 VAL 33 2HG2 VAL 33 6.586 2.446 8.649 242 H HIS 34 H HIS 34 6.021 5.668 4.965 243 HA HIS 34 HA HIS 34 8.980 5.574 5.178 244 HB2 HIS 34 1HB HIS 34 7.156 6.230 2.834 245 HB3 HIS 34 2HB HIS 34 8.910 6.092 2.780 246 HD1 HIS 34 1HD HIS 34 9.756 3.465 3.741 247 HD2 HIS 34 2HD HIS 34 5.940 4.061 2.071 248 HE1 HIS 34 1HE HIS 34 8.971 1.174 2.999 249 H THR 35 H THR 35 6.325 7.980 4.770 250 HA THR 35 HA THR 35 8.241 10.200 4.633 251 HB THR 35 HB THR 35 6.295 11.630 4.408 252 HG1 THR 35 1HG THR 35 4.230 10.605 4.355 253 HG21 THR 35 3HG2 THR 35 7.096 10.398 2.390 254 HG22 THR 35 1HG2 THR 35 5.366 10.771 2.340 255 HG23 THR 35 2HG2 THR 35 5.903 9.121 2.718 256 H ALA 36 H ALA 36 6.334 8.736 7.185 257 HA ALA 36 HA ALA 36 5.810 9.273 9.282 258 HB1 ALA 36 1HB ALA 36 7.604 10.030 10.735 259 HB2 ALA 36 2HB ALA 36 8.216 8.874 9.539 260 HB3 ALA 36 3HB ALA 36 8.532 10.614 9.338 261 H LEU 37 H LEU 37 4.764 11.051 7.311 262 HA LEU 37 HA LEU 37 5.023 13.785 8.026 263 HB2 LEU 37 1HB LEU 37 4.469 12.841 5.824 264 HB3 LEU 37 2HB LEU 37 2.905 12.307 6.403 265 HG LEU 37 HG LEU 37 2.978 14.317 4.915 266 HD11 LEU 37 1HD1 LEU 37 1.663 14.966 7.568 267 HD12 LEU 37 2HD1 LEU 37 1.016 13.829 6.365 268 HD13 LEU 37 3HD1 LEU 37 1.225 15.538 5.956 269 HD21 LEU 37 3HD2 LEU 37 3.556 16.500 5.767 270 HD22 LEU 37 1HD2 LEU 37 4.961 15.428 5.893 271 HD23 LEU 37 2HD2 LEU 37 4.008 15.825 7.343 272 H ASP 38 H ASP 38 2.563 11.399 8.971 273 HA ASP 38 HA ASP 38 1.415 13.241 11.011 274 HB2 ASP 38 1HB ASP 38 0.031 13.658 9.123 275 HB3 ASP 38 2HB ASP 38 -0.054 11.963 8.691 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -15.360 4.441 -16.584 2 H2 GLY 1 2H GLY 1 -14.605 5.367 -15.466 3 H3 GLY 1 3H GLY 1 -15.280 6.066 -16.788 4 HA2 GLY 1 1HA GLY 1 -16.672 6.456 -14.873 5 HA3 GLY 1 2HA GLY 1 -17.488 5.433 -16.072 6 H SER 2 H SER 2 -18.844 4.619 -14.376 7 HA SER 2 HA SER 2 -17.822 3.227 -12.071 8 HB2 SER 2 1HB SER 2 -20.561 3.072 -13.381 9 HB3 SER 2 2HB SER 2 -20.143 2.515 -11.749 10 HG SER 2 HG SER 2 -21.070 4.623 -11.744 11 H SER 3 H SER 3 -17.900 1.023 -11.563 12 HA SER 3 HA SER 3 -17.397 -1.158 -11.824 13 HB2 SER 3 1HB SER 3 -19.772 -1.079 -12.705 14 HB3 SER 3 2HB SER 3 -19.081 -1.199 -14.335 15 HG SER 3 HG SER 3 -19.647 -3.248 -13.364 16 H GLY 4 H GLY 4 -16.837 -2.892 -13.819 17 HA2 GLY 4 1HA GLY 4 -15.223 -3.588 -15.319 18 HA3 GLY 4 2HA GLY 4 -14.956 -1.908 -15.787 19 H SER 5 H SER 5 -14.546 -2.650 -12.409 20 HA SER 5 HA SER 5 -11.884 -1.744 -12.259 21 HB2 SER 5 1HB SER 5 -13.341 -3.553 -10.297 22 HB3 SER 5 2HB SER 5 -11.934 -2.530 -9.951 23 HG SER 5 HG SER 5 -13.907 -1.524 -9.333 24 H SER 6 H SER 6 -9.888 -2.744 -11.891 25 HA SER 6 HA SER 6 -9.473 -5.270 -13.258 26 HB2 SER 6 1HB SER 6 -7.090 -4.819 -12.859 27 HB3 SER 6 2HB SER 6 -7.934 -3.451 -13.599 28 HG SER 6 HG SER 6 -6.600 -2.744 -11.896 29 H GLY 7 H GLY 7 -8.279 -7.061 -12.446 30 HA2 GLY 7 1HA GLY 7 -9.278 -8.024 -9.874 31 HA3 GLY 7 2HA GLY 7 -8.388 -8.931 -11.108 32 H ILE 8 H ILE 8 -6.805 -6.047 -10.060 33 HA ILE 8 HA ILE 8 -4.874 -7.709 -8.505 34 HB ILE 8 HB ILE 8 -3.067 -6.682 -9.660 35 HG12 ILE 8 1HG1 ILE 8 -5.106 -5.325 -11.478 36 HG13 ILE 8 2HG1 ILE 8 -4.118 -4.508 -10.262 37 HG21 ILE 8 1HG2 ILE 8 -3.182 -7.940 -11.696 38 HG22 ILE 8 2HG2 ILE 8 -4.092 -8.817 -10.465 39 HG23 ILE 8 3HG2 ILE 8 -4.957 -7.882 -11.708 40 HD11 ILE 8 3HD1 ILE 8 -3.103 -4.155 -12.405 41 HD12 ILE 8 1HD1 ILE 8 -2.058 -5.256 -11.479 42 HD13 ILE 8 2HD1 ILE 8 -3.107 -5.888 -12.773 43 H LEU 9 H LEU 9 -3.401 -6.652 -7.170 44 HA LEU 9 HA LEU 9 -4.600 -4.562 -5.548 45 HB2 LEU 9 1HB LEU 9 -1.824 -5.759 -5.283 46 HB3 LEU 9 2HB LEU 9 -2.770 -4.944 -4.048 47 HG LEU 9 HG LEU 9 -3.176 -7.715 -5.199 48 HD11 LEU 9 1HD1 LEU 9 -2.904 -8.393 -2.853 49 HD12 LEU 9 2HD1 LEU 9 -2.721 -6.693 -2.370 50 HD13 LEU 9 3HD1 LEU 9 -1.511 -7.464 -3.419 51 HD21 LEU 9 3HD2 LEU 9 -5.028 -6.217 -3.309 52 HD22 LEU 9 1HD2 LEU 9 -5.125 -7.953 -3.665 53 HD23 LEU 9 2HD2 LEU 9 -5.442 -6.775 -4.940 54 H LEU 10 H LEU 10 -3.469 -2.677 -4.794 55 HA LEU 10 HA LEU 10 -1.899 -1.179 -6.814 56 HB2 LEU 10 1HB LEU 10 -2.738 -0.356 -4.007 57 HB3 LEU 10 2HB LEU 10 -2.153 0.687 -5.301 58 HG LEU 10 HG LEU 10 -4.837 -0.770 -5.284 59 HD11 LEU 10 1HD1 LEU 10 -4.680 1.030 -3.616 60 HD12 LEU 10 2HD1 LEU 10 -5.783 1.461 -4.933 61 HD13 LEU 10 3HD1 LEU 10 -4.150 2.168 -4.876 62 HD21 LEU 10 3HD2 LEU 10 -4.026 -0.412 -7.586 63 HD22 LEU 10 1HD2 LEU 10 -3.700 1.299 -7.219 64 HD23 LEU 10 2HD2 LEU 10 -5.366 0.682 -7.219 65 H LYS 11 H LYS 11 0.261 -0.463 -6.321 66 HA LYS 11 HA LYS 11 1.706 -2.067 -4.225 67 HB2 LYS 11 1HB LYS 11 2.557 -1.346 -7.056 68 HB3 LYS 11 2HB LYS 11 3.701 -1.760 -5.799 69 HG2 LYS 11 1HG LYS 11 3.399 -3.729 -6.999 70 HG3 LYS 11 2HG LYS 11 2.599 -3.954 -5.454 71 HD2 LYS 11 1HD LYS 11 1.361 -4.976 -7.293 72 HD3 LYS 11 2HD LYS 11 0.397 -3.718 -6.530 73 HE2 LYS 11 1HE LYS 11 0.968 -2.142 -8.355 74 HE3 LYS 11 2HE LYS 11 2.041 -3.346 -9.082 75 HZ1 LYS 11 3HZ LYS 11 0.114 -4.757 -9.476 76 HZ2 LYS 11 1HZ LYS 11 -0.160 -3.291 -10.147 77 HZ3 LYS 11 2HZ LYS 11 -0.892 -3.695 -8.734 78 H CYS 12 H CYS 12 3.343 -1.151 -3.090 79 HA CYS 12 HA CYS 12 3.304 1.675 -2.607 80 HB2 CYS 12 1HB CYS 12 3.764 -0.090 -0.956 81 HB3 CYS 12 2HB CYS 12 5.293 -0.461 -1.784 82 HA PRO 13 HA PRO 13 6.227 2.693 -5.891 83 HB2 PRO 13 1HB PRO 13 6.356 5.383 -5.624 84 HB3 PRO 13 2HB PRO 13 4.837 4.559 -6.094 85 HG2 PRO 13 1HG PRO 13 5.669 5.475 -3.316 86 HG3 PRO 13 2HG PRO 13 4.125 5.805 -4.169 87 HD2 PRO 13 1HD PRO 13 4.429 3.740 -2.387 88 HD3 PRO 13 2HD PRO 13 3.353 3.618 -3.812 89 H THR 14 H THR 14 6.999 3.080 -2.513 90 HA THR 14 HA THR 14 9.485 4.484 -2.804 91 HB THR 14 HB THR 14 8.531 2.774 -0.483 92 HG1 THR 14 1HG THR 14 8.254 5.559 -0.987 93 HG21 THR 14 3HG2 THR 14 10.584 5.028 -0.633 94 HG22 THR 14 1HG2 THR 14 10.873 3.336 -0.164 95 HG23 THR 14 2HG2 THR 14 9.904 4.380 0.874 96 H ASP 15 H ASP 15 11.602 3.826 -2.856 97 HA ASP 15 HA ASP 15 12.227 1.332 -4.072 98 HB2 ASP 15 1HB ASP 15 13.534 3.382 -4.389 99 HB3 ASP 15 2HB ASP 15 14.020 3.360 -2.691 100 H GLY 16 H GLY 16 13.017 -0.577 -3.342 101 HA2 GLY 16 1HA GLY 16 13.696 -2.262 -1.920 102 HA3 GLY 16 2HA GLY 16 13.932 -1.080 -0.634 103 H CYS 17 H CYS 17 10.809 -0.527 -1.484 104 HA CYS 17 HA CYS 17 9.669 -2.226 0.631 105 HB2 CYS 17 1HB CYS 17 9.299 0.264 0.328 106 HB3 CYS 17 2HB CYS 17 8.306 -0.144 -1.082 107 H ASP 18 H ASP 18 7.904 -3.569 0.325 108 HA ASP 18 HA ASP 18 7.389 -4.648 -2.408 109 HB2 ASP 18 1HB ASP 18 7.749 -6.853 -1.776 110 HB3 ASP 18 2HB ASP 18 9.129 -5.987 -1.126 111 H TYR 19 H TYR 19 5.898 -3.063 -0.099 112 HA TYR 19 HA TYR 19 3.661 -4.691 0.644 113 HB2 TYR 19 1HB TYR 19 4.396 -2.829 1.976 114 HB3 TYR 19 2HB TYR 19 4.156 -1.707 0.654 115 HD1 TYR 19 2HD TYR 19 2.486 -3.778 3.233 116 HD2 TYR 19 1HD TYR 19 1.897 -0.861 0.102 117 HE1 TYR 19 2HE TYR 19 0.186 -3.329 4.075 118 HE2 TYR 19 1HE TYR 19 -0.383 -0.406 0.961 119 HH TYR 19 HH TYR 19 -1.727 -2.099 3.819 120 H SER 20 H SER 20 1.626 -4.880 -0.098 121 HA SER 20 HA SER 20 0.613 -3.218 -2.268 122 HB2 SER 20 1HB SER 20 -0.209 -5.204 -3.581 123 HB3 SER 20 2HB SER 20 1.542 -4.949 -3.628 124 HG SER 20 HG SER 20 1.802 -6.605 -2.120 125 H THR 21 H THR 21 -1.640 -3.202 -2.483 126 HA THR 21 HA THR 21 -3.362 -4.634 -0.577 127 HB THR 21 HB THR 21 -2.428 -2.927 0.867 128 HG1 THR 21 1HG THR 21 -4.292 -2.220 1.616 129 HG21 THR 21 3HG2 THR 21 -2.792 -0.547 0.535 130 HG22 THR 21 1HG2 THR 21 -3.559 -0.831 -1.038 131 HG23 THR 21 2HG2 THR 21 -1.833 -1.176 -0.813 132 HA PRO 22 HA PRO 22 -6.145 -3.490 -3.905 133 HB2 PRO 22 1HB PRO 22 -8.569 -4.278 -2.980 134 HB3 PRO 22 2HB PRO 22 -7.267 -5.441 -3.369 135 HG2 PRO 22 1HG PRO 22 -7.999 -4.300 -0.647 136 HG3 PRO 22 2HG PRO 22 -7.750 -6.021 -1.088 137 HD2 PRO 22 1HD PRO 22 -5.793 -4.490 0.047 138 HD3 PRO 22 2HD PRO 22 -5.415 -5.761 -1.140 139 H ASP 23 H ASP 23 -6.123 -1.808 -0.906 140 HA ASP 23 HA ASP 23 -8.292 0.069 -1.763 141 HB2 ASP 23 1HB ASP 23 -8.396 -1.303 0.478 142 HB3 ASP 23 2HB ASP 23 -7.177 -0.183 1.005 143 H LYS 24 H LYS 24 -7.823 2.145 -2.246 144 HA LYS 24 HA LYS 24 -5.119 3.115 -2.286 145 HB2 LYS 24 1HB LYS 24 -6.007 5.164 -3.132 146 HB3 LYS 24 2HB LYS 24 -6.836 3.815 -3.903 147 HG2 LYS 24 1HG LYS 24 -8.802 4.171 -2.407 148 HG3 LYS 24 2HG LYS 24 -7.960 5.527 -1.630 149 HD2 LYS 24 1HD LYS 24 -7.793 6.677 -3.821 150 HD3 LYS 24 2HD LYS 24 -8.728 5.380 -4.580 151 HE2 LYS 24 1HE LYS 24 -9.686 7.164 -2.294 152 HE3 LYS 24 2HE LYS 24 -10.037 7.451 -3.998 153 HZ1 LYS 24 3HZ LYS 24 -10.897 5.038 -2.496 154 HZ2 LYS 24 1HZ LYS 24 -11.234 5.344 -4.070 155 HZ3 LYS 24 2HZ LYS 24 -11.855 6.294 -2.896 156 H TYR 25 H TYR 25 -7.618 3.445 0.204 157 HA TYR 25 HA TYR 25 -6.187 5.606 1.582 158 HB2 TYR 25 1HB TYR 25 -8.440 3.850 2.601 159 HB3 TYR 25 2HB TYR 25 -7.879 5.361 3.291 160 HD1 TYR 25 1HD TYR 25 -7.854 7.428 1.491 161 HD2 TYR 25 2HD TYR 25 -10.403 3.950 1.329 162 HE1 TYR 25 1HE TYR 25 -9.531 8.718 0.185 163 HE2 TYR 25 2HE TYR 25 -12.089 5.249 0.035 164 HH TYR 25 HH TYR 25 -11.595 8.692 -0.829 165 H LYS 26 H LYS 26 -6.411 2.053 1.843 166 HA LYS 26 HA LYS 26 -4.703 1.798 4.184 167 HB2 LYS 26 1HB LYS 26 -5.160 -0.146 1.886 168 HB3 LYS 26 2HB LYS 26 -4.338 -0.518 3.394 169 HG2 LYS 26 1HG LYS 26 -6.413 -0.010 4.672 170 HG3 LYS 26 2HG LYS 26 -7.271 0.296 3.170 171 HD2 LYS 26 1HD LYS 26 -6.764 -2.066 2.447 172 HD3 LYS 26 2HD LYS 26 -5.961 -2.336 4.006 173 HE2 LYS 26 1HE LYS 26 -8.084 -1.772 5.183 174 HE3 LYS 26 2HE LYS 26 -8.883 -1.532 3.625 175 HZ1 LYS 26 3HZ LYS 26 -7.708 -4.098 4.561 176 HZ2 LYS 26 1HZ LYS 26 -8.446 -3.882 3.119 177 HZ3 LYS 26 2HZ LYS 26 -9.299 -3.758 4.502 178 H LEU 27 H LEU 27 -4.012 1.939 0.663 179 HA LEU 27 HA LEU 27 -1.186 1.712 0.935 180 HB2 LEU 27 1HB LEU 27 -2.422 1.459 -1.200 181 HB3 LEU 27 2HB LEU 27 -2.786 3.184 -1.179 182 HG LEU 27 HG LEU 27 -0.388 3.734 -1.374 183 HD11 LEU 27 1HD1 LEU 27 0.676 1.826 -0.259 184 HD12 LEU 27 2HD1 LEU 27 1.240 1.932 -1.923 185 HD13 LEU 27 3HD1 LEU 27 0.027 0.710 -1.490 186 HD21 LEU 27 3HD2 LEU 27 -1.277 1.680 -3.425 187 HD22 LEU 27 1HD2 LEU 27 -0.060 2.951 -3.666 188 HD23 LEU 27 2HD2 LEU 27 -1.758 3.393 -3.409 189 H GLN 28 H GLN 28 -3.207 4.732 0.814 190 HA GLN 28 HA GLN 28 -1.086 6.579 1.211 191 HB2 GLN 28 1HB GLN 28 -4.009 6.597 2.046 192 HB3 GLN 28 2HB GLN 28 -2.956 7.970 2.345 193 HG2 GLN 28 1HG GLN 28 -3.379 6.793 -0.437 194 HG3 GLN 28 2HG GLN 28 -4.379 8.061 0.256 195 HE21 GLN 28 1HE2 GLN 28 -3.221 8.739 -2.075 196 HE22 GLN 28 2HE2 GLN 28 -1.845 9.798 -1.800 197 H ALA 29 H ALA 29 -3.037 4.873 3.699 198 HA ALA 29 HA ALA 29 -1.640 5.869 5.968 199 HB1 ALA 29 1HB ALA 29 -2.634 3.948 7.133 200 HB2 ALA 29 2HB ALA 29 -3.817 4.711 6.053 201 HB3 ALA 29 3HB ALA 29 -3.035 3.187 5.581 202 H HIS 30 H HIS 30 -0.683 3.284 3.700 203 HA HIS 30 HA HIS 30 1.625 2.484 5.339 204 HB2 HIS 30 1HB HIS 30 0.562 0.818 3.966 205 HB3 HIS 30 2HB HIS 30 0.762 1.794 2.511 206 HD1 HIS 30 1HD HIS 30 2.926 -0.237 4.979 207 HD2 HIS 30 2HD HIS 30 3.106 1.811 1.316 208 HE1 HIS 30 1HE HIS 30 5.236 -0.711 4.040 209 H LEU 31 H LEU 31 1.138 4.730 2.530 210 HA LEU 31 HA LEU 31 3.907 5.249 2.077 211 HB2 LEU 31 1HB LEU 31 1.639 7.259 1.896 212 HB3 LEU 31 2HB LEU 31 3.235 7.423 1.184 213 HG LEU 31 HG LEU 31 1.041 5.510 0.341 214 HD11 LEU 31 1HD1 LEU 31 1.147 6.725 -1.759 215 HD12 LEU 31 2HD1 LEU 31 2.468 7.739 -1.136 216 HD13 LEU 31 3HD1 LEU 31 0.846 7.841 -0.417 217 HD21 LEU 31 3HD2 LEU 31 3.884 5.668 -0.727 218 HD22 LEU 31 1HD2 LEU 31 2.534 4.764 -1.462 219 HD23 LEU 31 2HD2 LEU 31 3.151 4.281 0.117 220 H LYS 32 H LYS 32 1.749 6.554 4.558 221 HA LYS 32 HA LYS 32 3.545 8.445 5.734 222 HB2 LYS 32 1HB LYS 32 1.202 6.889 6.890 223 HB3 LYS 32 2HB LYS 32 2.053 8.176 7.753 224 HG2 LYS 32 1HG LYS 32 1.496 9.798 5.992 225 HG3 LYS 32 2HG LYS 32 0.654 8.544 5.068 226 HD2 LYS 32 1HD LYS 32 -0.943 8.225 6.946 227 HD3 LYS 32 2HD LYS 32 -0.106 9.500 7.862 228 HE2 LYS 32 1HE LYS 32 -0.596 11.117 6.028 229 HE3 LYS 32 2HE LYS 32 -1.455 9.848 5.145 230 HZ1 LYS 32 3HZ LYS 32 -3.032 9.718 7.007 231 HZ2 LYS 32 1HZ LYS 32 -2.989 11.238 6.417 232 HZ3 LYS 32 2HZ LYS 32 -2.235 10.891 7.820 233 H VAL 33 H VAL 33 3.876 5.031 5.744 234 HA VAL 33 HA VAL 33 5.456 4.911 8.207 235 HB VAL 33 HB VAL 33 4.129 3.012 6.808 236 HG11 VAL 33 1HG1 VAL 33 5.609 1.430 5.771 237 HG12 VAL 33 2HG1 VAL 33 5.820 2.968 4.927 238 HG13 VAL 33 3HG1 VAL 33 7.037 2.424 6.099 239 HG21 VAL 33 3HG2 VAL 33 6.553 2.529 8.553 240 HG22 VAL 33 1HG2 VAL 33 4.885 2.834 9.101 241 HG23 VAL 33 2HG2 VAL 33 5.254 1.365 8.183 242 H HIS 34 H HIS 34 6.051 5.763 4.891 243 HA HIS 34 HA HIS 34 8.989 5.474 5.131 244 HB2 HIS 34 1HB HIS 34 7.204 6.240 2.790 245 HB3 HIS 34 2HB HIS 34 8.946 6.016 2.719 246 HD1 HIS 34 1HD HIS 34 9.637 3.340 3.757 247 HD2 HIS 34 2HD HIS 34 5.962 4.153 1.882 248 HE1 HIS 34 1HE HIS 34 8.791 1.105 2.911 249 H THR 35 H THR 35 6.619 8.020 5.428 250 HA THR 35 HA THR 35 8.432 10.193 4.719 251 HB THR 35 HB THR 35 6.565 11.655 5.502 252 HG1 THR 35 1HG THR 35 5.552 10.434 7.020 253 HG21 THR 35 3HG2 THR 35 4.991 11.061 3.739 254 HG22 THR 35 1HG2 THR 35 5.702 9.442 3.594 255 HG23 THR 35 2HG2 THR 35 6.656 10.876 3.157 256 H ALA 36 H ALA 36 8.341 8.324 7.479 257 HA ALA 36 HA ALA 36 9.582 10.471 9.136 258 HB1 ALA 36 1HB ALA 36 7.713 8.262 10.085 259 HB2 ALA 36 2HB ALA 36 8.537 9.453 11.116 260 HB3 ALA 36 3HB ALA 36 7.308 9.987 9.953 261 H LEU 37 H LEU 37 11.222 9.833 10.555 262 HA LEU 37 HA LEU 37 12.759 7.444 9.668 263 HB2 LEU 37 1HB LEU 37 13.581 10.019 11.073 264 HB3 LEU 37 2HB LEU 37 14.658 8.675 10.781 265 HG LEU 37 HG LEU 37 15.144 10.311 9.190 266 HD11 LEU 37 1HD1 LEU 37 14.923 9.148 7.088 267 HD12 LEU 37 2HD1 LEU 37 13.558 8.192 7.696 268 HD13 LEU 37 3HD1 LEU 37 15.186 7.963 8.381 269 HD21 LEU 37 3HD2 LEU 37 12.325 10.287 8.074 270 HD22 LEU 37 1HD2 LEU 37 13.693 11.293 7.584 271 HD23 LEU 37 2HD2 LEU 37 12.962 11.532 9.180 272 H ASP 38 H ASP 38 10.735 8.162 12.207 273 HA ASP 38 HA ASP 38 12.207 7.016 14.437 274 HB2 ASP 38 1HB ASP 38 10.507 8.756 14.733 275 HB3 ASP 38 2HB ASP 38 9.264 7.686 14.095 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -11.298 -18.789 -8.249 2 H2 GLY 1 2H GLY 1 -10.233 -18.024 -7.264 3 H3 GLY 1 3H GLY 1 -10.125 -17.839 -8.886 4 HA2 GLY 1 1HA GLY 1 -12.240 -16.697 -8.968 5 HA3 GLY 1 2HA GLY 1 -12.370 -16.909 -7.212 6 H SER 2 H SER 2 -12.571 -14.402 -8.259 7 HA SER 2 HA SER 2 -10.272 -13.017 -7.039 8 HB2 SER 2 1HB SER 2 -9.716 -13.237 -9.475 9 HB3 SER 2 2HB SER 2 -11.188 -12.322 -9.857 10 HG SER 2 HG SER 2 -9.263 -11.020 -9.715 11 H SER 3 H SER 3 -10.746 -10.851 -6.445 12 HA SER 3 HA SER 3 -13.480 -10.546 -5.535 13 HB2 SER 3 1HB SER 3 -11.079 -8.756 -5.051 14 HB3 SER 3 2HB SER 3 -12.606 -8.754 -4.148 15 HG SER 3 HG SER 3 -10.978 -9.975 -3.084 16 H GLY 4 H GLY 4 -13.433 -10.211 -8.356 17 HA2 GLY 4 1HA GLY 4 -14.243 -8.828 -10.037 18 HA3 GLY 4 2HA GLY 4 -14.983 -7.869 -8.755 19 H SER 5 H SER 5 -14.542 -5.794 -9.457 20 HA SER 5 HA SER 5 -12.137 -4.810 -10.585 21 HB2 SER 5 1HB SER 5 -14.112 -3.320 -8.812 22 HB3 SER 5 2HB SER 5 -12.962 -2.601 -9.956 23 HG SER 5 HG SER 5 -15.082 -2.804 -10.845 24 H SER 6 H SER 6 -12.969 -5.354 -7.175 25 HA SER 6 HA SER 6 -10.597 -4.019 -6.117 26 HB2 SER 6 1HB SER 6 -12.534 -5.917 -4.752 27 HB3 SER 6 2HB SER 6 -11.330 -4.884 -3.964 28 HG SER 6 HG SER 6 -13.431 -3.936 -3.971 29 H GLY 7 H GLY 7 -10.884 -6.913 -7.792 30 HA2 GLY 7 1HA GLY 7 -8.934 -8.542 -6.362 31 HA3 GLY 7 2HA GLY 7 -9.528 -8.753 -8.014 32 H ILE 8 H ILE 8 -8.626 -5.698 -8.275 33 HA ILE 8 HA ILE 8 -5.908 -6.274 -9.267 34 HB ILE 8 HB ILE 8 -7.550 -3.719 -9.379 35 HG12 ILE 8 1HG1 ILE 8 -7.065 -5.849 -11.519 36 HG13 ILE 8 2HG1 ILE 8 -8.583 -5.596 -10.661 37 HG21 ILE 8 1HG2 ILE 8 -5.094 -3.313 -9.519 38 HG22 ILE 8 2HG2 ILE 8 -4.979 -4.493 -10.843 39 HG23 ILE 8 3HG2 ILE 8 -5.881 -2.975 -11.046 40 HD11 ILE 8 3HD1 ILE 8 -8.717 -3.283 -11.616 41 HD12 ILE 8 1HD1 ILE 8 -7.312 -3.681 -12.639 42 HD13 ILE 8 2HD1 ILE 8 -8.814 -4.597 -12.804 43 H LEU 9 H LEU 9 -4.143 -5.960 -8.086 44 HA LEU 9 HA LEU 9 -4.253 -4.615 -5.474 45 HB2 LEU 9 1HB LEU 9 -2.187 -6.264 -6.964 46 HB3 LEU 9 2HB LEU 9 -1.743 -5.339 -5.550 47 HG LEU 9 HG LEU 9 -2.121 -7.692 -5.064 48 HD11 LEU 9 1HD1 LEU 9 -4.186 -5.944 -3.681 49 HD12 LEU 9 2HD1 LEU 9 -2.442 -5.966 -3.308 50 HD13 LEU 9 3HD1 LEU 9 -3.426 -7.411 -3.041 51 HD21 LEU 9 3HD2 LEU 9 -4.301 -8.707 -4.967 52 HD22 LEU 9 1HD2 LEU 9 -3.994 -8.162 -6.626 53 HD23 LEU 9 2HD2 LEU 9 -5.081 -7.232 -5.564 54 H LEU 10 H LEU 10 -3.334 -2.788 -4.890 55 HA LEU 10 HA LEU 10 -1.913 -1.047 -6.848 56 HB2 LEU 10 1HB LEU 10 -2.963 -0.366 -4.076 57 HB3 LEU 10 2HB LEU 10 -2.359 0.751 -5.296 58 HG LEU 10 HG LEU 10 -4.942 -0.869 -5.502 59 HD11 LEU 10 1HD1 LEU 10 -5.009 0.898 -3.798 60 HD12 LEU 10 2HD1 LEU 10 -6.047 1.287 -5.179 61 HD13 LEU 10 3HD1 LEU 10 -4.472 2.095 -4.999 62 HD21 LEU 10 3HD2 LEU 10 -3.808 1.306 -7.320 63 HD22 LEU 10 1HD2 LEU 10 -5.431 0.593 -7.442 64 HD23 LEU 10 2HD2 LEU 10 -4.008 -0.411 -7.739 65 H LYS 11 H LYS 11 0.175 -0.245 -6.257 66 HA LYS 11 HA LYS 11 1.613 -1.854 -4.165 67 HB2 LYS 11 1HB LYS 11 2.551 -1.159 -6.972 68 HB3 LYS 11 2HB LYS 11 3.522 -1.954 -5.725 69 HG2 LYS 11 1HG LYS 11 1.840 -3.817 -5.647 70 HG3 LYS 11 2HG LYS 11 0.989 -3.081 -7.008 71 HD2 LYS 11 1HD LYS 11 3.880 -4.051 -7.044 72 HD3 LYS 11 2HD LYS 11 2.486 -4.936 -7.680 73 HE2 LYS 11 1HE LYS 11 2.039 -3.078 -9.281 74 HE3 LYS 11 2HE LYS 11 3.463 -2.221 -8.676 75 HZ1 LYS 11 3HZ LYS 11 3.513 -4.887 -9.989 76 HZ2 LYS 11 1HZ LYS 11 4.828 -4.098 -9.427 77 HZ3 LYS 11 2HZ LYS 11 3.981 -3.486 -10.680 78 H CYS 12 H CYS 12 3.287 -0.971 -3.086 79 HA CYS 12 HA CYS 12 3.323 1.862 -2.670 80 HB2 CYS 12 1HB CYS 12 3.702 0.065 -1.012 81 HB3 CYS 12 2HB CYS 12 5.269 -0.273 -1.774 82 HA PRO 13 HA PRO 13 6.196 2.658 -6.082 83 HB2 PRO 13 1HB PRO 13 6.486 5.393 -4.887 84 HB3 PRO 13 2HB PRO 13 6.017 4.929 -6.549 85 HG2 PRO 13 1HG PRO 13 4.176 5.837 -4.771 86 HG3 PRO 13 2HG PRO 13 3.784 4.466 -5.870 87 HD2 PRO 13 1HD PRO 13 4.707 4.357 -2.984 88 HD3 PRO 13 2HD PRO 13 3.318 3.538 -3.770 89 H THR 14 H THR 14 7.069 3.023 -2.753 90 HA THR 14 HA THR 14 9.723 4.076 -3.035 91 HB THR 14 HB THR 14 8.492 2.501 -0.749 92 HG1 THR 14 1HG THR 14 7.441 4.415 -1.076 93 HG21 THR 14 3HG2 THR 14 10.227 3.676 0.636 94 HG22 THR 14 1HG2 THR 14 11.033 4.186 -0.862 95 HG23 THR 14 2HG2 THR 14 10.908 2.458 -0.445 96 H ASP 15 H ASP 15 11.627 3.179 -3.549 97 HA ASP 15 HA ASP 15 11.687 0.665 -4.819 98 HB2 ASP 15 1HB ASP 15 13.083 2.629 -5.372 99 HB3 ASP 15 2HB ASP 15 13.986 2.416 -3.871 100 H GLY 16 H GLY 16 12.684 1.480 -1.517 101 HA2 GLY 16 1HA GLY 16 13.895 -1.124 -0.941 102 HA3 GLY 16 2HA GLY 16 13.584 0.187 0.195 103 H CYS 17 H CYS 17 10.674 -0.346 -1.347 104 HA CYS 17 HA CYS 17 9.601 -1.797 0.997 105 HB2 CYS 17 1HB CYS 17 8.917 0.525 0.176 106 HB3 CYS 17 2HB CYS 17 8.070 -0.311 -1.136 107 H ASP 18 H ASP 18 7.637 -3.051 0.541 108 HA ASP 18 HA ASP 18 7.656 -4.771 -1.882 109 HB2 ASP 18 1HB ASP 18 9.198 -5.773 -0.141 110 HB3 ASP 18 2HB ASP 18 7.809 -5.922 0.931 111 H TYR 19 H TYR 19 5.871 -2.831 -0.002 112 HA TYR 19 HA TYR 19 3.628 -4.487 0.730 113 HB2 TYR 19 1HB TYR 19 4.320 -2.588 2.043 114 HB3 TYR 19 2HB TYR 19 4.083 -1.500 0.689 115 HD1 TYR 19 2HD TYR 19 2.400 -3.528 3.290 116 HD2 TYR 19 1HD TYR 19 1.835 -0.745 0.040 117 HE1 TYR 19 2HE TYR 19 0.064 -3.114 4.047 118 HE2 TYR 19 1HE TYR 19 -0.489 -0.328 0.808 119 HH TYR 19 HH TYR 19 -1.875 -1.960 3.681 120 H SER 20 H SER 20 1.658 -4.742 -0.113 121 HA SER 20 HA SER 20 0.662 -3.061 -2.271 122 HB2 SER 20 1HB SER 20 -0.030 -4.916 -3.721 123 HB3 SER 20 2HB SER 20 1.732 -4.829 -3.572 124 HG SER 20 HG SER 20 1.670 -6.557 -2.123 125 H THR 21 H THR 21 -1.616 -3.174 -2.572 126 HA THR 21 HA THR 21 -3.292 -4.706 -0.714 127 HB THR 21 HB THR 21 -2.562 -2.975 0.786 128 HG1 THR 21 1HG THR 21 -4.484 -2.321 1.421 129 HG21 THR 21 3HG2 THR 21 -2.978 -0.598 0.427 130 HG22 THR 21 1HG2 THR 21 -3.630 -0.910 -1.193 131 HG23 THR 21 2HG2 THR 21 -1.912 -1.196 -0.853 132 HA PRO 22 HA PRO 22 -6.175 -3.646 -4.022 133 HB2 PRO 22 1HB PRO 22 -8.542 -4.510 -3.012 134 HB3 PRO 22 2HB PRO 22 -7.227 -5.638 -3.472 135 HG2 PRO 22 1HG PRO 22 -7.863 -4.561 -0.704 136 HG3 PRO 22 2HG PRO 22 -7.621 -6.272 -1.194 137 HD2 PRO 22 1HD PRO 22 -5.618 -4.775 -0.122 138 HD3 PRO 22 2HD PRO 22 -5.286 -5.974 -1.394 139 H ASP 23 H ASP 23 -6.070 -2.055 -0.975 140 HA ASP 23 HA ASP 23 -8.351 -0.235 -1.627 141 HB2 ASP 23 1HB ASP 23 -8.270 -1.664 0.532 142 HB3 ASP 23 2HB ASP 23 -6.971 -0.630 1.012 143 H LYS 24 H LYS 24 -7.894 1.751 -2.344 144 HA LYS 24 HA LYS 24 -5.280 2.929 -2.390 145 HB2 LYS 24 1HB LYS 24 -6.341 4.865 -3.323 146 HB3 LYS 24 2HB LYS 24 -7.082 3.423 -4.011 147 HG2 LYS 24 1HG LYS 24 -9.017 3.709 -2.401 148 HG3 LYS 24 2HG LYS 24 -8.245 5.178 -1.794 149 HD2 LYS 24 1HD LYS 24 -9.948 5.837 -3.319 150 HD3 LYS 24 2HD LYS 24 -8.386 6.182 -4.074 151 HE2 LYS 24 1HE LYS 24 -8.581 4.095 -5.418 152 HE3 LYS 24 2HE LYS 24 -10.116 3.722 -4.620 153 HZ1 LYS 24 3HZ LYS 24 -11.036 5.763 -5.591 154 HZ2 LYS 24 1HZ LYS 24 -10.470 4.790 -6.773 155 HZ3 LYS 24 2HZ LYS 24 -9.617 6.106 -6.326 156 H TYR 25 H TYR 25 -7.729 3.032 0.126 157 HA TYR 25 HA TYR 25 -6.459 5.342 1.463 158 HB2 TYR 25 1HB TYR 25 -8.755 3.565 2.336 159 HB3 TYR 25 2HB TYR 25 -8.211 5.030 3.139 160 HD1 TYR 25 2HD TYR 25 -8.259 7.253 1.841 161 HD2 TYR 25 1HD TYR 25 -10.320 3.700 0.516 162 HE1 TYR 25 2HE TYR 25 -9.681 8.638 0.338 163 HE2 TYR 25 1HE TYR 25 -11.746 5.089 -0.982 164 HH TYR 25 HH TYR 25 -11.373 8.649 -1.208 165 H LYS 26 H LYS 26 -6.460 1.801 1.758 166 HA LYS 26 HA LYS 26 -4.847 1.745 4.199 167 HB2 LYS 26 1HB LYS 26 -5.125 -0.364 2.031 168 HB3 LYS 26 2HB LYS 26 -4.374 -0.588 3.599 169 HG2 LYS 26 1HG LYS 26 -6.534 -0.039 4.728 170 HG3 LYS 26 2HG LYS 26 -7.317 0.068 3.169 171 HD2 LYS 26 1HD LYS 26 -6.712 -2.346 2.738 172 HD3 LYS 26 2HD LYS 26 -5.916 -2.385 4.315 173 HE2 LYS 26 1HE LYS 26 -7.984 -3.332 4.791 174 HE3 LYS 26 2HE LYS 26 -8.166 -1.664 5.331 175 HZ1 LYS 26 3HZ LYS 26 -9.204 -2.819 2.797 176 HZ2 LYS 26 1HZ LYS 26 -9.308 -1.226 3.139 177 HZ3 LYS 26 2HZ LYS 26 -10.093 -2.319 4.065 178 H LEU 27 H LEU 27 -4.097 1.819 0.702 179 HA LEU 27 HA LEU 27 -1.267 1.741 1.004 180 HB2 LEU 27 1HB LEU 27 -2.471 1.407 -1.135 181 HB3 LEU 27 2HB LEU 27 -2.941 3.106 -1.130 182 HG LEU 27 HG LEU 27 -0.590 3.797 -1.351 183 HD11 LEU 27 1HD1 LEU 27 1.171 2.118 -1.852 184 HD12 LEU 27 2HD1 LEU 27 0.044 0.813 -1.423 185 HD13 LEU 27 3HD1 LEU 27 0.595 1.980 -0.194 186 HD21 LEU 27 3HD2 LEU 27 -0.210 2.980 -3.628 187 HD22 LEU 27 1HD2 LEU 27 -1.932 3.315 -3.377 188 HD23 LEU 27 2HD2 LEU 27 -1.341 1.636 -3.354 189 H GLN 28 H GLN 28 -3.440 4.635 0.849 190 HA GLN 28 HA GLN 28 -1.452 6.615 1.310 191 HB2 GLN 28 1HB GLN 28 -4.408 6.393 1.997 192 HB3 GLN 28 2HB GLN 28 -3.466 7.825 2.441 193 HG2 GLN 28 1HG GLN 28 -2.854 8.264 0.204 194 HG3 GLN 28 2HG GLN 28 -3.513 6.751 -0.406 195 HE21 GLN 28 1HE2 GLN 28 -5.792 6.493 -0.594 196 HE22 GLN 28 2HE2 GLN 28 -6.881 7.888 -0.548 197 H ALA 29 H ALA 29 -3.344 4.790 3.684 198 HA ALA 29 HA ALA 29 -2.056 5.784 6.023 199 HB1 ALA 29 1HB ALA 29 -3.430 3.102 5.591 200 HB2 ALA 29 2HB ALA 29 -3.111 3.883 7.151 201 HB3 ALA 29 3HB ALA 29 -4.237 4.632 6.005 202 H HIS 30 H HIS 30 -0.818 3.423 3.724 203 HA HIS 30 HA HIS 30 1.387 2.585 5.551 204 HB2 HIS 30 1HB HIS 30 0.451 0.852 4.174 205 HB3 HIS 30 2HB HIS 30 0.559 1.840 2.720 206 HD1 HIS 30 1HD HIS 30 2.888 -0.098 5.105 207 HD2 HIS 30 2HD HIS 30 2.872 1.979 1.453 208 HE1 HIS 30 1HE HIS 30 5.180 -0.477 4.087 209 H LEU 31 H LEU 31 0.967 4.668 2.621 210 HA LEU 31 HA LEU 31 3.706 5.039 2.091 211 HB2 LEU 31 1HB LEU 31 1.314 6.851 1.670 212 HB3 LEU 31 2HB LEU 31 2.906 7.248 1.038 213 HG LEU 31 HG LEU 31 1.467 4.662 0.313 214 HD11 LEU 31 1HD1 LEU 31 1.574 7.303 -1.201 215 HD12 LEU 31 2HD1 LEU 31 0.132 6.589 -0.446 216 HD13 LEU 31 3HD1 LEU 31 0.902 5.776 -1.815 217 HD21 LEU 31 3HD2 LEU 31 3.785 6.111 -1.013 218 HD22 LEU 31 1HD2 LEU 31 2.995 4.610 -1.558 219 HD23 LEU 31 2HD2 LEU 31 3.906 4.618 -0.055 220 H LYS 32 H LYS 32 1.806 6.629 4.587 221 HA LYS 32 HA LYS 32 3.638 8.694 5.320 222 HB2 LYS 32 1HB LYS 32 2.312 8.977 7.210 223 HB3 LYS 32 2HB LYS 32 1.196 8.329 6.011 224 HG2 LYS 32 1HG LYS 32 1.646 6.016 7.084 225 HG3 LYS 32 2HG LYS 32 2.462 6.904 8.385 226 HD2 LYS 32 1HD LYS 32 0.284 8.291 8.565 227 HD3 LYS 32 2HD LYS 32 -0.459 7.040 7.567 228 HE2 LYS 32 1HE LYS 32 0.768 6.763 10.347 229 HE3 LYS 32 2HE LYS 32 -0.927 6.587 9.895 230 HZ1 LYS 32 3HZ LYS 32 1.286 4.726 9.245 231 HZ2 LYS 32 1HZ LYS 32 -0.162 4.620 8.511 232 HZ3 LYS 32 2HZ LYS 32 -0.042 4.411 10.137 233 H VAL 33 H VAL 33 3.953 5.293 5.759 234 HA VAL 33 HA VAL 33 5.564 5.293 8.141 235 HB VAL 33 HB VAL 33 4.176 3.414 6.884 236 HG11 VAL 33 1HG1 VAL 33 5.493 1.748 5.757 237 HG12 VAL 33 2HG1 VAL 33 5.720 3.274 4.894 238 HG13 VAL 33 3HG1 VAL 33 6.991 2.667 5.979 239 HG21 VAL 33 3HG2 VAL 33 5.196 1.719 8.180 240 HG22 VAL 33 1HG2 VAL 33 6.639 2.732 8.473 241 HG23 VAL 33 2HG2 VAL 33 5.043 3.209 9.117 242 H HIS 34 H HIS 34 6.351 5.910 4.806 243 HA HIS 34 HA HIS 34 9.175 5.226 5.070 244 HB2 HIS 34 1HB HIS 34 7.505 6.359 2.799 245 HB3 HIS 34 2HB HIS 34 9.222 5.985 2.669 246 HD1 HIS 34 1HD HIS 34 9.748 3.257 3.553 247 HD2 HIS 34 2HD HIS 34 6.013 4.364 1.959 248 HE1 HIS 34 1HE HIS 34 8.667 1.098 2.787 249 H THR 35 H THR 35 7.479 8.100 5.845 250 HA THR 35 HA THR 35 9.838 9.841 5.387 251 HB THR 35 HB THR 35 8.425 11.649 6.259 252 HG1 THR 35 1HG THR 35 6.257 11.223 6.658 253 HG21 THR 35 3HG2 THR 35 8.390 11.097 3.829 254 HG22 THR 35 1HG2 THR 35 6.859 11.778 4.401 255 HG23 THR 35 2HG2 THR 35 6.993 10.031 4.103 256 H ALA 36 H ALA 36 8.861 7.713 7.820 257 HA ALA 36 HA ALA 36 9.796 9.194 10.132 258 HB1 ALA 36 1HB ALA 36 9.299 6.216 9.723 259 HB2 ALA 36 2HB ALA 36 9.515 7.039 11.281 260 HB3 ALA 36 3HB ALA 36 8.102 7.408 10.277 261 H LEU 37 H LEU 37 11.664 8.780 11.390 262 HA LEU 37 HA LEU 37 14.088 8.442 9.838 263 HB2 LEU 37 1HB LEU 37 13.770 10.129 11.625 264 HB3 LEU 37 2HB LEU 37 13.613 8.840 12.819 265 HG LEU 37 HG LEU 37 15.967 8.163 12.417 266 HD11 LEU 37 1HD1 LEU 37 16.044 10.578 10.548 267 HD12 LEU 37 2HD1 LEU 37 16.288 8.877 10.083 268 HD13 LEU 37 3HD1 LEU 37 17.464 9.678 11.126 269 HD21 LEU 37 3HD2 LEU 37 15.624 11.133 12.995 270 HD22 LEU 37 1HD2 LEU 37 17.011 10.120 13.459 271 HD23 LEU 37 2HD2 LEU 37 15.417 9.809 14.165 272 H ASP 38 H ASP 38 12.296 6.360 12.038 273 HA ASP 38 HA ASP 38 14.037 4.045 11.451 274 HB2 ASP 38 1HB ASP 38 15.011 5.041 13.482 275 HB3 ASP 38 2HB ASP 38 13.441 5.012 14.276 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -13.975 -8.147 -12.383 2 H2 GLY 1 2H GLY 1 -14.770 -8.997 -11.237 3 H3 GLY 1 3H GLY 1 -15.554 -8.548 -12.607 4 HA2 GLY 1 1HA GLY 1 -13.261 -10.410 -12.512 5 HA3 GLY 1 2HA GLY 1 -14.957 -10.915 -12.645 6 H SER 2 H SER 2 -15.275 -11.630 -14.705 7 HA SER 2 HA SER 2 -14.055 -10.501 -17.079 8 HB2 SER 2 1HB SER 2 -15.794 -11.854 -18.250 9 HB3 SER 2 2HB SER 2 -14.833 -12.779 -17.084 10 HG SER 2 HG SER 2 -17.089 -13.215 -16.899 11 H SER 3 H SER 3 -16.940 -9.799 -15.238 12 HA SER 3 HA SER 3 -17.407 -7.300 -16.810 13 HB2 SER 3 1HB SER 3 -19.509 -9.035 -15.446 14 HB3 SER 3 2HB SER 3 -19.793 -7.443 -16.167 15 HG SER 3 HG SER 3 -18.900 -9.793 -17.517 16 H GLY 4 H GLY 4 -18.227 -5.520 -15.496 17 HA2 GLY 4 1HA GLY 4 -18.280 -4.138 -13.645 18 HA3 GLY 4 2HA GLY 4 -18.343 -5.574 -12.632 19 H SER 5 H SER 5 -17.056 -4.290 -11.151 20 HA SER 5 HA SER 5 -14.275 -3.630 -11.762 21 HB2 SER 5 1HB SER 5 -14.202 -2.969 -9.377 22 HB3 SER 5 2HB SER 5 -15.514 -2.199 -10.281 23 HG SER 5 HG SER 5 -16.215 -3.000 -8.240 24 H SER 6 H SER 6 -12.501 -4.385 -10.364 25 HA SER 6 HA SER 6 -12.684 -7.198 -9.405 26 HB2 SER 6 1HB SER 6 -10.645 -6.138 -11.401 27 HB3 SER 6 2HB SER 6 -10.515 -7.687 -10.550 28 HG SER 6 HG SER 6 -11.461 -7.815 -12.679 29 H GLY 7 H GLY 7 -11.117 -7.782 -7.878 30 HA2 GLY 7 1HA GLY 7 -10.239 -5.662 -6.104 31 HA3 GLY 7 2HA GLY 7 -10.049 -7.398 -5.869 32 H ILE 8 H ILE 8 -8.783 -4.991 -8.231 33 HA ILE 8 HA ILE 8 -6.250 -6.327 -8.534 34 HB ILE 8 HB ILE 8 -7.036 -3.509 -9.356 35 HG12 ILE 8 1HG1 ILE 8 -8.629 -4.982 -10.390 36 HG13 ILE 8 2HG1 ILE 8 -7.493 -4.430 -11.598 37 HG21 ILE 8 1HG2 ILE 8 -5.256 -3.811 -11.090 38 HG22 ILE 8 2HG2 ILE 8 -4.629 -3.772 -9.445 39 HG23 ILE 8 3HG2 ILE 8 -4.774 -5.325 -10.297 40 HD11 ILE 8 3HD1 ILE 8 -7.505 -7.192 -10.295 41 HD12 ILE 8 1HD1 ILE 8 -8.021 -6.786 -11.937 42 HD13 ILE 8 2HD1 ILE 8 -6.314 -6.635 -11.496 43 H LEU 9 H LEU 9 -4.430 -6.104 -7.504 44 HA LEU 9 HA LEU 9 -4.208 -4.586 -5.045 45 HB2 LEU 9 1HB LEU 9 -2.271 -6.309 -6.639 46 HB3 LEU 9 2HB LEU 9 -1.760 -5.418 -5.227 47 HG LEU 9 HG LEU 9 -2.128 -7.719 -4.677 48 HD11 LEU 9 1HD1 LEU 9 -2.573 -5.988 -2.961 49 HD12 LEU 9 2HD1 LEU 9 -3.506 -7.471 -2.710 50 HD13 LEU 9 3HD1 LEU 9 -4.306 -6.042 -3.386 51 HD21 LEU 9 3HD2 LEU 9 -4.270 -8.817 -4.673 52 HD22 LEU 9 1HD2 LEU 9 -3.917 -8.265 -6.318 53 HD23 LEU 9 2HD2 LEU 9 -5.081 -7.376 -5.303 54 H LEU 10 H LEU 10 -3.387 -2.669 -4.648 55 HA LEU 10 HA LEU 10 -1.934 -1.107 -6.724 56 HB2 LEU 10 1HB LEU 10 -2.914 -0.228 -3.986 57 HB3 LEU 10 2HB LEU 10 -2.329 0.794 -5.296 58 HG LEU 10 HG LEU 10 -4.938 -0.794 -5.294 59 HD11 LEU 10 1HD1 LEU 10 -5.996 1.405 -5.133 60 HD12 LEU 10 2HD1 LEU 10 -4.403 2.198 -5.102 61 HD13 LEU 10 3HD1 LEU 10 -4.903 1.138 -3.765 62 HD21 LEU 10 3HD2 LEU 10 -3.820 1.169 -7.348 63 HD22 LEU 10 1HD2 LEU 10 -5.464 0.493 -7.348 64 HD23 LEU 10 2HD2 LEU 10 -4.078 -0.575 -7.592 65 H LYS 11 H LYS 11 0.227 -0.526 -6.377 66 HA LYS 11 HA LYS 11 1.661 -2.022 -4.200 67 HB2 LYS 11 1HB LYS 11 2.496 -1.315 -7.038 68 HB3 LYS 11 2HB LYS 11 3.641 -1.757 -5.791 69 HG2 LYS 11 1HG LYS 11 3.272 -3.711 -7.019 70 HG3 LYS 11 2HG LYS 11 2.514 -3.932 -5.455 71 HD2 LYS 11 1HD LYS 11 1.183 -4.919 -7.232 72 HD3 LYS 11 2HD LYS 11 0.278 -3.610 -6.480 73 HE2 LYS 11 1HE LYS 11 0.878 -2.099 -8.354 74 HE3 LYS 11 2HE LYS 11 1.896 -3.358 -9.063 75 HZ1 LYS 11 3HZ LYS 11 -1.049 -3.579 -8.690 76 HZ2 LYS 11 1HZ LYS 11 -0.092 -4.709 -9.393 77 HZ3 LYS 11 2HZ LYS 11 -0.304 -3.259 -10.113 78 H CYS 12 H CYS 12 3.260 -1.100 -3.026 79 HA CYS 12 HA CYS 12 3.323 1.752 -2.655 80 HB2 CYS 12 1HB CYS 12 3.709 0.055 -0.913 81 HB3 CYS 12 2HB CYS 12 5.209 -0.434 -1.728 82 HA PRO 13 HA PRO 13 6.285 2.413 -6.017 83 HB2 PRO 13 1HB PRO 13 6.444 5.112 -5.996 84 HB3 PRO 13 2HB PRO 13 4.910 4.275 -6.388 85 HG2 PRO 13 1HG PRO 13 5.766 5.417 -3.700 86 HG3 PRO 13 2HG PRO 13 4.229 5.703 -4.579 87 HD2 PRO 13 1HD PRO 13 4.506 3.787 -2.623 88 HD3 PRO 13 2HD PRO 13 3.406 3.578 -4.021 89 H THR 14 H THR 14 7.029 2.749 -2.720 90 HA THR 14 HA THR 14 9.424 4.346 -2.911 91 HB THR 14 HB THR 14 8.602 2.558 -0.600 92 HG1 THR 14 1HG THR 14 6.919 3.884 -0.903 93 HG21 THR 14 3HG2 THR 14 10.858 3.435 -0.310 94 HG22 THR 14 1HG2 THR 14 9.761 4.343 0.730 95 HG23 THR 14 2HG2 THR 14 10.327 5.069 -0.785 96 H ASP 15 H ASP 15 11.576 3.808 -2.946 97 HA ASP 15 HA ASP 15 12.385 1.317 -4.068 98 HB2 ASP 15 1HB ASP 15 13.598 3.419 -4.403 99 HB3 ASP 15 2HB ASP 15 14.007 3.483 -2.685 100 H GLY 16 H GLY 16 13.140 -0.552 -3.233 101 HA2 GLY 16 1HA GLY 16 13.801 -2.165 -1.723 102 HA3 GLY 16 2HA GLY 16 13.998 -0.926 -0.484 103 H CYS 17 H CYS 17 10.877 -0.469 -1.471 104 HA CYS 17 HA CYS 17 9.706 -2.085 0.696 105 HB2 CYS 17 1HB CYS 17 9.276 0.376 0.243 106 HB3 CYS 17 2HB CYS 17 8.313 -0.147 -1.150 107 H ASP 18 H ASP 18 7.827 -3.327 0.348 108 HA ASP 18 HA ASP 18 7.528 -4.688 -2.293 109 HB2 ASP 18 1HB ASP 18 9.235 -5.858 -0.837 110 HB3 ASP 18 2HB ASP 18 7.958 -6.152 0.339 111 H TYR 19 H TYR 19 5.934 -2.957 -0.126 112 HA TYR 19 HA TYR 19 3.719 -4.622 0.661 113 HB2 TYR 19 1HB TYR 19 4.480 -2.745 1.984 114 HB3 TYR 19 2HB TYR 19 4.181 -1.631 0.669 115 HD1 TYR 19 2HD TYR 19 2.619 -3.760 3.272 116 HD2 TYR 19 1HD TYR 19 1.891 -0.838 0.176 117 HE1 TYR 19 2HE TYR 19 0.319 -3.393 4.153 118 HE2 TYR 19 1HE TYR 19 -0.391 -0.466 1.073 119 HH TYR 19 HH TYR 19 -1.639 -2.229 3.932 120 H SER 20 H SER 20 1.679 -4.813 -0.086 121 HA SER 20 HA SER 20 0.644 -3.030 -2.131 122 HB2 SER 20 1HB SER 20 -0.124 -4.749 -3.665 123 HB3 SER 20 2HB SER 20 1.636 -4.785 -3.536 124 HG SER 20 HG SER 20 1.474 -6.585 -2.180 125 H THR 21 H THR 21 -1.631 -3.057 -2.360 126 HA THR 21 HA THR 21 -3.311 -4.653 -0.558 127 HB THR 21 HB THR 21 -2.487 -3.004 1.001 128 HG1 THR 21 1HG THR 21 -4.387 -2.411 1.744 129 HG21 THR 21 3HG2 THR 21 -2.881 -0.625 0.790 130 HG22 THR 21 1HG2 THR 21 -3.643 -0.834 -0.799 131 HG23 THR 21 2HG2 THR 21 -1.911 -1.150 -0.594 132 HA PRO 22 HA PRO 22 -6.052 -3.552 -3.904 133 HB2 PRO 22 1HB PRO 22 -8.481 -4.420 -3.044 134 HB3 PRO 22 2HB PRO 22 -7.130 -5.536 -3.414 135 HG2 PRO 22 1HG PRO 22 -7.939 -4.437 -0.698 136 HG3 PRO 22 2HG PRO 22 -7.657 -6.150 -1.152 137 HD2 PRO 22 1HD PRO 22 -5.729 -4.644 0.025 138 HD3 PRO 22 2HD PRO 22 -5.320 -5.837 -1.233 139 H ASP 23 H ASP 23 -6.108 -1.804 -0.973 140 HA ASP 23 HA ASP 23 -8.299 0.003 -1.923 141 HB2 ASP 23 1HB ASP 23 -8.510 -1.291 0.330 142 HB3 ASP 23 2HB ASP 23 -7.279 -0.195 0.885 143 H LYS 24 H LYS 24 -7.903 2.050 -2.385 144 HA LYS 24 HA LYS 24 -5.370 3.298 -2.599 145 HB2 LYS 24 1HB LYS 24 -7.352 4.017 -3.834 146 HB3 LYS 24 2HB LYS 24 -8.217 4.364 -2.335 147 HG2 LYS 24 1HG LYS 24 -6.607 6.224 -1.855 148 HG3 LYS 24 2HG LYS 24 -5.825 5.916 -3.421 149 HD2 LYS 24 1HD LYS 24 -7.911 6.469 -4.593 150 HD3 LYS 24 2HD LYS 24 -8.792 6.541 -3.057 151 HE2 LYS 24 1HE LYS 24 -7.209 8.402 -2.343 152 HE3 LYS 24 2HE LYS 24 -6.601 8.431 -4.006 153 HZ1 LYS 24 3HZ LYS 24 -9.415 8.925 -3.165 154 HZ2 LYS 24 1HZ LYS 24 -8.908 8.910 -4.725 155 HZ3 LYS 24 2HZ LYS 24 -8.370 10.062 -3.701 156 H TYR 25 H TYR 25 -7.706 3.481 0.126 157 HA TYR 25 HA TYR 25 -6.090 5.546 1.437 158 HB2 TYR 25 1HB TYR 25 -8.594 4.133 2.390 159 HB3 TYR 25 2HB TYR 25 -7.860 5.568 3.099 160 HD1 TYR 25 1HD TYR 25 -7.560 7.657 1.570 161 HD2 TYR 25 2HD TYR 25 -10.169 4.360 0.601 162 HE1 TYR 25 1HE TYR 25 -8.722 9.072 -0.119 163 HE2 TYR 25 2HE TYR 25 -11.336 5.780 -1.079 164 HH TYR 25 HH TYR 25 -11.463 7.839 -2.074 165 H LYS 26 H LYS 26 -6.498 2.040 1.720 166 HA LYS 26 HA LYS 26 -4.869 1.748 4.123 167 HB2 LYS 26 1HB LYS 26 -5.303 -0.198 1.822 168 HB3 LYS 26 2HB LYS 26 -4.526 -0.574 3.354 169 HG2 LYS 26 1HG LYS 26 -6.625 -0.023 4.574 170 HG3 LYS 26 2HG LYS 26 -7.437 0.289 3.049 171 HD2 LYS 26 1HD LYS 26 -6.957 -2.084 2.351 172 HD3 LYS 26 2HD LYS 26 -6.196 -2.360 3.931 173 HE2 LYS 26 1HE LYS 26 -8.337 -1.753 5.055 174 HE3 LYS 26 2HE LYS 26 -9.093 -1.507 3.476 175 HZ1 LYS 26 3HZ LYS 26 -9.572 -3.720 4.355 176 HZ2 LYS 26 1HZ LYS 26 -7.986 -4.089 4.452 177 HZ3 LYS 26 2HZ LYS 26 -8.686 -3.866 2.991 178 H LEU 27 H LEU 27 -4.096 1.939 0.620 179 HA LEU 27 HA LEU 27 -1.277 1.638 0.980 180 HB2 LEU 27 1HB LEU 27 -2.478 1.399 -1.197 181 HB3 LEU 27 2HB LEU 27 -2.760 3.132 -1.212 182 HG LEU 27 HG LEU 27 -0.351 3.587 -1.337 183 HD11 LEU 27 1HD1 LEU 27 -0.017 0.552 -1.351 184 HD12 LEU 27 2HD1 LEU 27 0.622 1.690 -0.133 185 HD13 LEU 27 3HD1 LEU 27 1.248 1.725 -1.777 186 HD21 LEU 27 3HD2 LEU 27 -1.669 3.205 -3.411 187 HD22 LEU 27 1HD2 LEU 27 -1.196 1.489 -3.362 188 HD23 LEU 27 2HD2 LEU 27 0.036 2.747 -3.591 189 H GLN 28 H GLN 28 -3.271 4.668 0.824 190 HA GLN 28 HA GLN 28 -1.150 6.498 1.297 191 HB2 GLN 28 1HB GLN 28 -4.089 6.560 2.109 192 HB3 GLN 28 2HB GLN 28 -2.975 7.908 2.387 193 HG2 GLN 28 1HG GLN 28 -2.419 7.953 -0.002 194 HG3 GLN 28 2HG GLN 28 -3.604 6.704 -0.344 195 HE21 GLN 28 1HE2 GLN 28 -3.954 8.976 -1.762 196 HE22 GLN 28 2HE2 GLN 28 -5.261 9.941 -1.087 197 H ALA 29 H ALA 29 -3.106 4.730 3.665 198 HA ALA 29 HA ALA 29 -1.755 5.667 5.999 199 HB1 ALA 29 1HB ALA 29 -3.978 4.598 6.016 200 HB2 ALA 29 2HB ALA 29 -3.245 3.046 5.555 201 HB3 ALA 29 3HB ALA 29 -2.860 3.781 7.124 202 H HIS 30 H HIS 30 -0.640 3.328 3.636 203 HA HIS 30 HA HIS 30 1.582 2.429 5.401 204 HB2 HIS 30 1HB HIS 30 0.616 0.729 4.009 205 HB3 HIS 30 2HB HIS 30 0.753 1.727 2.563 206 HD1 HIS 30 1HD HIS 30 3.031 -0.233 4.981 207 HD2 HIS 30 2HD HIS 30 3.086 1.856 1.335 208 HE1 HIS 30 1HE HIS 30 5.345 -0.607 4.010 209 H LEU 31 H LEU 31 1.105 4.599 2.532 210 HA LEU 31 HA LEU 31 3.823 5.082 1.983 211 HB2 LEU 31 1HB LEU 31 1.465 6.984 1.820 212 HB3 LEU 31 2HB LEU 31 3.043 7.335 1.136 213 HG LEU 31 HG LEU 31 1.263 5.030 0.252 214 HD11 LEU 31 1HD1 LEU 31 1.906 7.672 -1.109 215 HD12 LEU 31 2HD1 LEU 31 0.359 7.261 -0.339 216 HD13 LEU 31 3HD1 LEU 31 0.897 6.359 -1.763 217 HD21 LEU 31 3HD2 LEU 31 3.871 6.079 -0.902 218 HD22 LEU 31 1HD2 LEU 31 2.790 4.890 -1.666 219 HD23 LEU 31 2HD2 LEU 31 3.606 4.482 -0.156 220 H LYS 32 H LYS 32 1.846 6.624 4.520 221 HA LYS 32 HA LYS 32 3.788 8.520 5.393 222 HB2 LYS 32 1HB LYS 32 2.556 8.597 7.493 223 HB3 LYS 32 2HB LYS 32 1.500 8.721 6.086 224 HG2 LYS 32 1HG LYS 32 0.641 6.523 6.386 225 HG3 LYS 32 2HG LYS 32 1.908 6.090 7.556 226 HD2 LYS 32 1HD LYS 32 1.023 7.678 9.188 227 HD3 LYS 32 2HD LYS 32 -0.151 8.288 8.022 228 HE2 LYS 32 1HE LYS 32 -1.188 6.820 9.689 229 HE3 LYS 32 2HE LYS 32 -1.392 6.210 8.048 230 HZ1 LYS 32 3HZ LYS 32 -0.743 4.487 9.695 231 HZ2 LYS 32 1HZ LYS 32 0.705 5.210 9.903 232 HZ3 LYS 32 2HZ LYS 32 0.289 4.573 8.438 233 H VAL 33 H VAL 33 3.849 5.087 5.855 234 HA VAL 33 HA VAL 33 5.547 5.016 8.177 235 HB VAL 33 HB VAL 33 4.167 3.132 6.845 236 HG11 VAL 33 1HG1 VAL 33 7.031 2.449 6.043 237 HG12 VAL 33 2HG1 VAL 33 5.561 1.503 5.761 238 HG13 VAL 33 3HG1 VAL 33 5.798 3.033 4.908 239 HG21 VAL 33 3HG2 VAL 33 5.258 1.451 8.177 240 HG22 VAL 33 1HG2 VAL 33 6.623 2.550 8.509 241 HG23 VAL 33 2HG2 VAL 33 4.987 2.931 9.110 242 H HIS 34 H HIS 34 6.201 5.760 4.844 243 HA HIS 34 HA HIS 34 9.124 5.448 5.127 244 HB2 HIS 34 1HB HIS 34 7.388 6.311 2.785 245 HB3 HIS 34 2HB HIS 34 9.125 6.035 2.732 246 HD1 HIS 34 1HD HIS 34 9.760 3.338 3.661 247 HD2 HIS 34 2HD HIS 34 6.035 4.254 1.932 248 HE1 HIS 34 1HE HIS 34 8.833 1.132 2.827 249 H THR 35 H THR 35 6.806 8.002 5.563 250 HA THR 35 HA THR 35 8.914 10.104 5.258 251 HB THR 35 HB THR 35 7.074 11.710 5.199 252 HG1 THR 35 1HG THR 35 4.976 10.971 5.054 253 HG21 THR 35 3HG2 THR 35 6.641 9.464 3.176 254 HG22 THR 35 1HG2 THR 35 7.914 10.701 3.073 255 HG23 THR 35 2HG2 THR 35 6.210 11.177 2.987 256 H ALA 36 H ALA 36 6.778 8.639 7.675 257 HA ALA 36 HA ALA 36 7.283 10.582 9.737 258 HB1 ALA 36 1HB ALA 36 5.350 9.057 9.750 259 HB2 ALA 36 2HB ALA 36 6.440 7.660 9.911 260 HB3 ALA 36 3HB ALA 36 6.328 8.860 11.216 261 H LEU 37 H LEU 37 8.565 10.342 11.646 262 HA LEU 37 HA LEU 37 10.688 8.407 11.823 263 HB2 LEU 37 1HB LEU 37 12.543 9.825 11.689 264 HB3 LEU 37 2HB LEU 37 11.630 10.105 10.222 265 HG LEU 37 HG LEU 37 11.726 11.957 12.655 266 HD11 LEU 37 1HD1 LEU 37 13.061 13.409 11.203 267 HD12 LEU 37 2HD1 LEU 37 12.969 12.215 9.889 268 HD13 LEU 37 3HD1 LEU 37 13.838 11.832 11.391 269 HD21 LEU 37 3HD2 LEU 37 9.600 12.332 11.524 270 HD22 LEU 37 1HD2 LEU 37 10.404 12.350 9.935 271 HD23 LEU 37 2HD2 LEU 37 10.697 13.647 11.116 272 H ASP 38 H ASP 38 11.785 8.527 13.792 273 HA ASP 38 HA ASP 38 10.763 10.224 15.999 274 HB2 ASP 38 1HB ASP 38 9.299 8.248 15.981 275 HB3 ASP 38 2HB ASP 38 10.699 7.182 16.034 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -3.717 -15.994 -7.148 2 H2 GLY 1 2H GLY 1 -2.654 -16.981 -6.383 3 H3 GLY 1 3H GLY 1 -2.258 -16.304 -7.823 4 HA2 GLY 1 1HA GLY 1 -2.676 -14.837 -5.298 5 HA3 GLY 1 2HA GLY 1 -1.103 -15.166 -6.052 6 H SER 2 H SER 2 -2.994 -12.678 -5.513 7 HA SER 2 HA SER 2 -3.684 -10.761 -6.494 8 HB2 SER 2 1HB SER 2 -1.208 -11.121 -8.207 9 HB3 SER 2 2HB SER 2 -2.091 -9.606 -7.939 10 HG SER 2 HG SER 2 -0.255 -9.886 -6.538 11 H SER 3 H SER 3 -5.079 -12.937 -7.453 12 HA SER 3 HA SER 3 -5.868 -12.190 -10.220 13 HB2 SER 3 1HB SER 3 -5.822 -14.584 -10.850 14 HB3 SER 3 2HB SER 3 -4.215 -13.948 -10.474 15 HG SER 3 HG SER 3 -4.797 -16.062 -9.547 16 H GLY 4 H GLY 4 -7.887 -13.321 -10.914 17 HA2 GLY 4 1HA GLY 4 -10.110 -13.909 -10.617 18 HA3 GLY 4 2HA GLY 4 -9.703 -14.485 -9.002 19 H SER 5 H SER 5 -11.246 -13.590 -7.734 20 HA SER 5 HA SER 5 -12.298 -10.911 -8.101 21 HB2 SER 5 1HB SER 5 -13.758 -11.520 -6.188 22 HB3 SER 5 2HB SER 5 -13.788 -12.679 -7.521 23 HG SER 5 HG SER 5 -12.483 -12.932 -5.007 24 H SER 6 H SER 6 -9.524 -10.744 -7.595 25 HA SER 6 HA SER 6 -8.943 -10.098 -4.829 26 HB2 SER 6 1HB SER 6 -6.787 -9.383 -5.719 27 HB3 SER 6 2HB SER 6 -7.259 -10.934 -6.435 28 HG SER 6 HG SER 6 -6.527 -9.532 -8.063 29 H GLY 7 H GLY 7 -10.358 -8.267 -7.411 30 HA2 GLY 7 1HA GLY 7 -11.077 -6.056 -7.518 31 HA3 GLY 7 2HA GLY 7 -10.417 -5.749 -5.909 32 H ILE 8 H ILE 8 -8.078 -7.193 -7.866 33 HA ILE 8 HA ILE 8 -6.122 -6.616 -8.712 34 HB ILE 8 HB ILE 8 -7.306 -3.956 -9.544 35 HG12 ILE 8 1HG1 ILE 8 -7.038 -6.595 -11.066 36 HG13 ILE 8 2HG1 ILE 8 -8.548 -5.915 -10.462 37 HG21 ILE 8 1HG2 ILE 8 -4.801 -5.414 -10.510 38 HG22 ILE 8 2HG2 ILE 8 -5.439 -3.888 -11.155 39 HG23 ILE 8 3HG2 ILE 8 -4.824 -3.936 -9.520 40 HD11 ILE 8 3HD1 ILE 8 -6.834 -4.768 -12.685 41 HD12 ILE 8 1HD1 ILE 8 -8.459 -5.456 -12.789 42 HD13 ILE 8 2HD1 ILE 8 -8.212 -3.915 -11.941 43 H LEU 9 H LEU 9 -4.265 -6.208 -7.776 44 HA LEU 9 HA LEU 9 -4.244 -4.742 -5.242 45 HB2 LEU 9 1HB LEU 9 -2.255 -6.504 -6.712 46 HB3 LEU 9 2HB LEU 9 -1.783 -5.576 -5.310 47 HG LEU 9 HG LEU 9 -2.232 -7.895 -4.762 48 HD11 LEU 9 1HD1 LEU 9 -4.299 -6.081 -3.476 49 HD12 LEU 9 2HD1 LEU 9 -2.566 -6.121 -3.059 50 HD13 LEU 9 3HD1 LEU 9 -3.580 -7.545 -2.785 51 HD21 LEU 9 3HD2 LEU 9 -4.424 -8.877 -4.718 52 HD22 LEU 9 1HD2 LEU 9 -4.090 -8.341 -6.376 53 HD23 LEU 9 2HD2 LEU 9 -5.178 -7.393 -5.329 54 H LEU 10 H LEU 10 -3.354 -2.885 -4.778 55 HA LEU 10 HA LEU 10 -1.863 -1.272 -6.789 56 HB2 LEU 10 1HB LEU 10 -2.862 -0.456 -4.036 57 HB3 LEU 10 2HB LEU 10 -2.271 0.594 -5.319 58 HG LEU 10 HG LEU 10 -4.887 -0.984 -5.391 59 HD11 LEU 10 1HD1 LEU 10 -4.352 1.986 -4.997 60 HD12 LEU 10 2HD1 LEU 10 -4.889 0.841 -3.746 61 HD13 LEU 10 3HD1 LEU 10 -5.947 1.207 -5.119 62 HD21 LEU 10 3HD2 LEU 10 -3.996 -0.621 -7.663 63 HD22 LEU 10 1HD2 LEU 10 -3.769 1.109 -7.311 64 HD23 LEU 10 2HD2 LEU 10 -5.403 0.410 -7.369 65 H LYS 11 H LYS 11 0.255 -0.458 -6.169 66 HA LYS 11 HA LYS 11 1.555 -1.862 -3.867 67 HB2 LYS 11 1HB LYS 11 2.691 -1.551 -6.674 68 HB3 LYS 11 2HB LYS 11 3.582 -2.091 -5.255 69 HG2 LYS 11 1HG LYS 11 1.719 -3.918 -5.033 70 HG3 LYS 11 2HG LYS 11 1.304 -3.487 -6.689 71 HD2 LYS 11 1HD LYS 11 2.760 -5.380 -6.786 72 HD3 LYS 11 2HD LYS 11 3.704 -3.988 -7.343 73 HE2 LYS 11 1HE LYS 11 4.747 -3.806 -5.083 74 HE3 LYS 11 2HE LYS 11 3.759 -5.152 -4.509 75 HZ1 LYS 11 3HZ LYS 11 5.811 -5.333 -6.652 76 HZ2 LYS 11 1HZ LYS 11 4.894 -6.583 -6.122 77 HZ3 LYS 11 2HZ LYS 11 5.985 -5.887 -5.122 78 H CYS 12 H CYS 12 3.277 -0.970 -2.909 79 HA CYS 12 HA CYS 12 3.362 1.884 -2.638 80 HB2 CYS 12 1HB CYS 12 3.697 0.158 -0.892 81 HB3 CYS 12 2HB CYS 12 5.229 -0.301 -1.660 82 HA PRO 13 HA PRO 13 6.304 2.520 -5.978 83 HB2 PRO 13 1HB PRO 13 6.700 5.195 -5.821 84 HB3 PRO 13 2HB PRO 13 5.096 4.502 -6.209 85 HG2 PRO 13 1HG PRO 13 6.111 5.429 -3.496 86 HG3 PRO 13 2HG PRO 13 4.578 5.878 -4.312 87 HD2 PRO 13 1HD PRO 13 4.732 3.859 -2.466 88 HD3 PRO 13 2HD PRO 13 3.615 3.782 -3.863 89 H THR 14 H THR 14 7.259 2.940 -2.661 90 HA THR 14 HA THR 14 9.870 4.047 -3.040 91 HB THR 14 HB THR 14 8.746 2.407 -0.748 92 HG1 THR 14 1HG THR 14 8.424 4.459 0.127 93 HG21 THR 14 3HG2 THR 14 10.467 3.609 0.625 94 HG22 THR 14 1HG2 THR 14 11.212 4.199 -0.876 95 HG23 THR 14 2HG2 THR 14 11.174 2.457 -0.506 96 H ASP 15 H ASP 15 11.827 3.176 -3.503 97 HA ASP 15 HA ASP 15 11.936 0.701 -4.855 98 HB2 ASP 15 1HB ASP 15 13.349 2.679 -5.299 99 HB3 ASP 15 2HB ASP 15 14.195 2.427 -3.773 100 H GLY 16 H GLY 16 12.826 1.430 -1.504 101 HA2 GLY 16 1HA GLY 16 13.966 -1.213 -0.941 102 HA3 GLY 16 2HA GLY 16 13.660 0.089 0.208 103 H CYS 17 H CYS 17 10.830 -0.505 -1.562 104 HA CYS 17 HA CYS 17 9.629 -2.088 0.667 105 HB2 CYS 17 1HB CYS 17 9.242 0.434 0.435 106 HB3 CYS 17 2HB CYS 17 8.293 0.039 -1.011 107 H ASP 18 H ASP 18 7.761 -3.290 0.142 108 HA ASP 18 HA ASP 18 7.187 -3.988 -2.660 109 HB2 ASP 18 1HB ASP 18 9.069 -5.502 -1.898 110 HB3 ASP 18 2HB ASP 18 7.970 -6.168 -0.690 111 H TYR 19 H TYR 19 5.868 -2.795 -0.148 112 HA TYR 19 HA TYR 19 3.754 -4.524 0.698 113 HB2 TYR 19 1HB TYR 19 4.420 -2.633 2.010 114 HB3 TYR 19 2HB TYR 19 4.127 -1.524 0.683 115 HD1 TYR 19 2HD TYR 19 2.548 -3.569 3.331 116 HD2 TYR 19 1HD TYR 19 1.844 -0.791 0.103 117 HE1 TYR 19 2HE TYR 19 0.237 -3.176 4.168 118 HE2 TYR 19 1HE TYR 19 -0.458 -0.393 0.955 119 HH TYR 19 HH TYR 19 -1.726 -2.039 3.870 120 H SER 20 H SER 20 1.655 -4.750 0.086 121 HA SER 20 HA SER 20 0.582 -3.250 -2.184 122 HB2 SER 20 1HB SER 20 -0.108 -5.194 -3.450 123 HB3 SER 20 2HB SER 20 1.650 -5.202 -3.250 124 HG SER 20 HG SER 20 1.446 -6.768 -1.649 125 H THR 21 H THR 21 -1.656 -3.270 -2.401 126 HA THR 21 HA THR 21 -3.398 -4.726 -0.568 127 HB THR 21 HB THR 21 -2.677 -2.986 0.962 128 HG1 THR 21 1HG THR 21 -4.723 -3.290 1.359 129 HG21 THR 21 3HG2 THR 21 -1.965 -1.231 -0.667 130 HG22 THR 21 1HG2 THR 21 -3.049 -0.620 0.590 131 HG23 THR 21 2HG2 THR 21 -3.669 -0.919 -1.044 132 HA PRO 22 HA PRO 22 -6.088 -3.540 -4.000 133 HB2 PRO 22 1HB PRO 22 -8.499 -4.480 -3.209 134 HB3 PRO 22 2HB PRO 22 -7.135 -5.572 -3.602 135 HG2 PRO 22 1HG PRO 22 -8.012 -4.609 -0.858 136 HG3 PRO 22 2HG PRO 22 -7.681 -6.291 -1.383 137 HD2 PRO 22 1HD PRO 22 -5.824 -4.742 -0.100 138 HD3 PRO 22 2HD PRO 22 -5.354 -5.947 -1.322 139 H ASP 23 H ASP 23 -6.141 -2.068 -0.905 140 HA ASP 23 HA ASP 23 -8.434 -0.282 -1.547 141 HB2 ASP 23 1HB ASP 23 -8.281 -1.622 0.656 142 HB3 ASP 23 2HB ASP 23 -6.963 -0.570 1.052 143 H LYS 24 H LYS 24 -8.128 1.759 -2.191 144 HA LYS 24 HA LYS 24 -5.507 2.903 -2.469 145 HB2 LYS 24 1HB LYS 24 -6.599 4.786 -3.463 146 HB3 LYS 24 2HB LYS 24 -7.353 3.304 -4.043 147 HG2 LYS 24 1HG LYS 24 -9.246 3.661 -2.430 148 HG3 LYS 24 2HG LYS 24 -8.481 5.173 -1.902 149 HD2 LYS 24 1HD LYS 24 -8.629 6.062 -4.208 150 HD3 LYS 24 2HD LYS 24 -9.404 4.550 -4.739 151 HE2 LYS 24 1HE LYS 24 -11.263 4.952 -3.137 152 HE3 LYS 24 2HE LYS 24 -10.486 6.455 -2.622 153 HZ1 LYS 24 3HZ LYS 24 -11.481 5.913 -5.368 154 HZ2 LYS 24 1HZ LYS 24 -10.751 7.297 -4.892 155 HZ3 LYS 24 2HZ LYS 24 -12.201 6.885 -4.271 156 H TYR 25 H TYR 25 -7.641 3.042 0.263 157 HA TYR 25 HA TYR 25 -6.291 5.456 1.350 158 HB2 TYR 25 1HB TYR 25 -8.560 3.821 2.513 159 HB3 TYR 25 2HB TYR 25 -7.905 5.315 3.151 160 HD1 TYR 25 1HD TYR 25 -8.098 7.463 1.791 161 HD2 TYR 25 2HD TYR 25 -10.224 3.849 0.770 162 HE1 TYR 25 1HE TYR 25 -9.704 8.794 0.430 163 HE2 TYR 25 2HE TYR 25 -11.847 5.187 -0.570 164 HH TYR 25 HH TYR 25 -11.577 8.748 -0.890 165 H LYS 26 H LYS 26 -6.523 1.911 1.917 166 HA LYS 26 HA LYS 26 -4.752 1.847 4.200 167 HB2 LYS 26 1HB LYS 26 -5.083 -0.242 2.011 168 HB3 LYS 26 2HB LYS 26 -4.274 -0.489 3.545 169 HG2 LYS 26 1HG LYS 26 -6.393 0.021 4.765 170 HG3 LYS 26 2HG LYS 26 -7.235 0.160 3.232 171 HD2 LYS 26 1HD LYS 26 -6.598 -2.219 2.709 172 HD3 LYS 26 2HD LYS 26 -5.810 -2.322 4.297 173 HE2 LYS 26 1HE LYS 26 -7.980 -1.776 5.395 174 HE3 LYS 26 2HE LYS 26 -8.760 -1.692 3.810 175 HZ1 LYS 26 3HZ LYS 26 -7.489 -4.123 4.958 176 HZ2 LYS 26 1HZ LYS 26 -8.210 -4.051 3.492 177 HZ3 LYS 26 2HZ LYS 26 -9.094 -3.861 4.850 178 H LEU 27 H LEU 27 -4.031 1.895 0.695 179 HA LEU 27 HA LEU 27 -1.194 1.792 0.996 180 HB2 LEU 27 1HB LEU 27 -2.447 1.411 -1.129 181 HB3 LEU 27 2HB LEU 27 -2.856 3.128 -1.160 182 HG LEU 27 HG LEU 27 -0.474 3.725 -1.420 183 HD11 LEU 27 1HD1 LEU 27 0.022 0.711 -1.411 184 HD12 LEU 27 2HD1 LEU 27 0.649 1.893 -0.232 185 HD13 LEU 27 3HD1 LEU 27 1.202 1.946 -1.901 186 HD21 LEU 27 3HD2 LEU 27 -1.857 3.252 -3.421 187 HD22 LEU 27 1HD2 LEU 27 -1.338 1.551 -3.364 188 HD23 LEU 27 2HD2 LEU 27 -0.153 2.836 -3.681 189 H GLN 28 H GLN 28 -3.383 4.656 0.845 190 HA GLN 28 HA GLN 28 -1.336 6.644 1.100 191 HB2 GLN 28 1HB GLN 28 -4.316 6.567 1.735 192 HB3 GLN 28 2HB GLN 28 -3.336 8.011 2.040 193 HG2 GLN 28 1HG GLN 28 -2.584 8.074 -0.227 194 HG3 GLN 28 2HG GLN 28 -3.463 6.618 -0.666 195 HE21 GLN 28 1HE2 GLN 28 -5.765 6.688 -0.856 196 HE22 GLN 28 2HE2 GLN 28 -6.636 8.226 -0.947 197 H ALA 29 H ALA 29 -3.061 4.828 3.524 198 HA ALA 29 HA ALA 29 -1.817 6.064 5.835 199 HB1 ALA 29 1HB ALA 29 -2.697 4.137 7.061 200 HB2 ALA 29 2HB ALA 29 -3.922 4.784 5.953 201 HB3 ALA 29 3HB ALA 29 -3.048 3.294 5.542 202 H HIS 30 H HIS 30 -0.825 3.287 3.766 203 HA HIS 30 HA HIS 30 1.502 2.625 5.393 204 HB2 HIS 30 1HB HIS 30 0.487 0.934 4.002 205 HB3 HIS 30 2HB HIS 30 0.683 1.918 2.551 206 HD1 HIS 30 1HD HIS 30 2.834 -0.152 4.988 207 HD2 HIS 30 2HD HIS 30 3.062 2.005 1.393 208 HE1 HIS 30 1HE HIS 30 5.157 -0.594 4.068 209 H LEU 31 H LEU 31 1.086 4.747 2.493 210 HA LEU 31 HA LEU 31 3.809 5.191 1.942 211 HB2 LEU 31 1HB LEU 31 1.418 7.043 1.754 212 HB3 LEU 31 2HB LEU 31 2.994 7.488 1.125 213 HG LEU 31 HG LEU 31 1.421 5.065 0.157 214 HD11 LEU 31 1HD1 LEU 31 1.813 7.796 -1.131 215 HD12 LEU 31 2HD1 LEU 31 0.304 7.214 -0.397 216 HD13 LEU 31 3HD1 LEU 31 0.951 6.407 -1.832 217 HD21 LEU 31 3HD2 LEU 31 3.928 6.409 -0.917 218 HD22 LEU 31 1HD2 LEU 31 2.982 5.153 -1.747 219 HD23 LEU 31 2HD2 LEU 31 3.808 4.767 -0.237 220 H LYS 32 H LYS 32 1.913 6.609 4.558 221 HA LYS 32 HA LYS 32 3.798 8.619 5.388 222 HB2 LYS 32 1HB LYS 32 1.643 7.147 6.963 223 HB3 LYS 32 2HB LYS 32 2.514 8.583 7.519 224 HG2 LYS 32 1HG LYS 32 1.660 9.872 5.579 225 HG3 LYS 32 2HG LYS 32 0.764 8.450 5.026 226 HD2 LYS 32 1HD LYS 32 -0.527 8.461 7.190 227 HD3 LYS 32 2HD LYS 32 0.354 9.922 7.659 228 HE2 LYS 32 1HE LYS 32 -1.701 10.712 6.786 229 HE3 LYS 32 2HE LYS 32 -0.493 11.027 5.538 230 HZ1 LYS 32 3HZ LYS 32 -2.434 10.064 4.528 231 HZ2 LYS 32 1HZ LYS 32 -2.469 8.810 5.569 232 HZ3 LYS 32 2HZ LYS 32 -1.273 8.905 4.457 233 H VAL 33 H VAL 33 3.853 5.154 5.847 234 HA VAL 33 HA VAL 33 5.515 5.077 8.182 235 HB VAL 33 HB VAL 33 4.127 3.219 6.830 236 HG11 VAL 33 1HG1 VAL 33 5.763 3.080 4.916 237 HG12 VAL 33 2HG1 VAL 33 6.990 2.497 6.060 238 HG13 VAL 33 3HG1 VAL 33 5.515 1.558 5.778 239 HG21 VAL 33 3HG2 VAL 33 6.545 2.592 8.532 240 HG22 VAL 33 1HG2 VAL 33 4.909 3.015 9.108 241 HG23 VAL 33 2HG2 VAL 33 5.156 1.526 8.188 242 H HIS 34 H HIS 34 6.246 5.718 4.828 243 HA HIS 34 HA HIS 34 9.130 5.353 5.123 244 HB2 HIS 34 1HB HIS 34 7.426 6.405 2.838 245 HB3 HIS 34 2HB HIS 34 9.165 6.116 2.760 246 HD1 HIS 34 1HD HIS 34 9.801 3.404 3.577 247 HD2 HIS 34 2HD HIS 34 6.002 4.340 2.027 248 HE1 HIS 34 1HE HIS 34 8.794 1.194 2.864 249 H THR 35 H THR 35 7.135 7.816 6.169 250 HA THR 35 HA THR 35 9.498 9.627 6.362 251 HB THR 35 HB THR 35 7.842 10.537 4.784 252 HG1 THR 35 1HG THR 35 8.259 11.948 7.192 253 HG21 THR 35 3HG2 THR 35 5.730 9.823 5.722 254 HG22 THR 35 1HG2 THR 35 5.780 11.586 5.644 255 HG23 THR 35 2HG2 THR 35 6.007 10.765 7.204 256 H ALA 36 H ALA 36 7.938 7.478 8.093 257 HA ALA 36 HA ALA 36 7.555 8.940 10.608 258 HB1 ALA 36 1HB ALA 36 6.995 6.721 11.483 259 HB2 ALA 36 2HB ALA 36 6.120 7.024 9.974 260 HB3 ALA 36 3HB ALA 36 7.546 5.959 9.977 261 H LEU 37 H LEU 37 8.686 8.030 12.596 262 HA LEU 37 HA LEU 37 11.472 7.173 12.210 263 HB2 LEU 37 1HB LEU 37 11.519 9.660 12.162 264 HB3 LEU 37 2HB LEU 37 10.668 9.701 13.705 265 HG LEU 37 HG LEU 37 12.616 8.585 14.803 266 HD11 LEU 37 1HD1 LEU 37 14.783 8.499 13.583 267 HD12 LEU 37 2HD1 LEU 37 13.945 8.921 12.074 268 HD13 LEU 37 3HD1 LEU 37 13.609 7.380 12.892 269 HD21 LEU 37 3HD2 LEU 37 13.314 11.095 13.224 270 HD22 LEU 37 1HD2 LEU 37 14.112 10.529 14.709 271 HD23 LEU 37 2HD2 LEU 37 12.419 11.043 14.760 272 H ASP 38 H ASP 38 12.115 5.833 13.750 273 HA ASP 38 HA ASP 38 10.769 5.590 16.380 274 HB2 ASP 38 1HB ASP 38 9.551 4.068 14.883 275 HB3 ASP 38 2HB ASP 38 11.060 3.311 14.386 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -13.199 -17.364 -19.592 2 H2 GLY 1 2H GLY 1 -14.675 -16.663 -19.466 3 H3 GLY 1 3H GLY 1 -14.207 -17.796 -18.377 4 HA2 GLY 1 1HA GLY 1 -12.973 -15.140 -18.710 5 HA3 GLY 1 2HA GLY 1 -14.080 -15.594 -17.403 6 H SER 2 H SER 2 -11.404 -14.604 -17.088 7 HA SER 2 HA SER 2 -10.237 -16.753 -15.433 8 HB2 SER 2 1HB SER 2 -7.975 -16.364 -16.349 9 HB3 SER 2 2HB SER 2 -9.082 -17.053 -17.543 10 HG SER 2 HG SER 2 -7.838 -15.326 -18.409 11 H SER 3 H SER 3 -8.543 -15.974 -14.008 12 HA SER 3 HA SER 3 -7.883 -14.744 -12.254 13 HB2 SER 3 1HB SER 3 -8.222 -12.340 -14.071 14 HB3 SER 3 2HB SER 3 -7.351 -12.370 -12.532 15 HG SER 3 HG SER 3 -5.957 -12.679 -14.338 16 H GLY 4 H GLY 4 -8.400 -12.979 -10.635 17 HA2 GLY 4 1HA GLY 4 -11.063 -13.434 -9.663 18 HA3 GLY 4 2HA GLY 4 -9.860 -12.366 -8.951 19 H SER 5 H SER 5 -12.851 -12.145 -9.534 20 HA SER 5 HA SER 5 -13.145 -9.916 -11.386 21 HB2 SER 5 1HB SER 5 -15.510 -9.993 -10.645 22 HB3 SER 5 2HB SER 5 -14.891 -11.558 -11.199 23 HG SER 5 HG SER 5 -16.078 -11.731 -9.231 24 H SER 6 H SER 6 -12.065 -10.019 -8.190 25 HA SER 6 HA SER 6 -13.224 -7.552 -7.202 26 HB2 SER 6 1HB SER 6 -11.630 -7.935 -5.315 27 HB3 SER 6 2HB SER 6 -12.705 -9.299 -5.661 28 HG SER 6 HG SER 6 -10.516 -9.957 -5.353 29 H GLY 7 H GLY 7 -10.881 -7.951 -9.532 30 HA2 GLY 7 1HA GLY 7 -9.772 -6.207 -10.651 31 HA3 GLY 7 2HA GLY 7 -9.969 -5.157 -9.254 32 H ILE 8 H ILE 8 -7.730 -4.631 -9.918 33 HA ILE 8 HA ILE 8 -5.634 -6.605 -9.160 34 HB ILE 8 HB ILE 8 -5.403 -4.102 -10.860 35 HG12 ILE 8 1HG1 ILE 8 -6.799 -5.654 -12.083 36 HG13 ILE 8 2HG1 ILE 8 -5.216 -5.566 -12.816 37 HG21 ILE 8 1HG2 ILE 8 -3.429 -6.361 -10.312 38 HG22 ILE 8 2HG2 ILE 8 -3.231 -5.134 -11.581 39 HG23 ILE 8 3HG2 ILE 8 -3.260 -4.642 -9.891 40 HD11 ILE 8 3HD1 ILE 8 -6.211 -7.846 -11.045 41 HD12 ILE 8 1HD1 ILE 8 -6.055 -7.864 -12.808 42 HD13 ILE 8 2HD1 ILE 8 -4.603 -7.755 -11.802 43 H LEU 9 H LEU 9 -4.087 -6.144 -7.702 44 HA LEU 9 HA LEU 9 -4.655 -4.196 -5.631 45 HB2 LEU 9 1HB LEU 9 -2.501 -6.278 -6.079 46 HB3 LEU 9 2HB LEU 9 -2.317 -5.053 -4.834 47 HG LEU 9 HG LEU 9 -4.390 -5.738 -3.747 48 HD11 LEU 9 1HD1 LEU 9 -5.441 -7.922 -4.308 49 HD12 LEU 9 2HD1 LEU 9 -4.474 -7.986 -5.797 50 HD13 LEU 9 3HD1 LEU 9 -5.699 -6.713 -5.564 51 HD21 LEU 9 3HD2 LEU 9 -2.248 -6.691 -3.044 52 HD22 LEU 9 1HD2 LEU 9 -2.437 -8.016 -4.214 53 HD23 LEU 9 2HD2 LEU 9 -3.556 -7.862 -2.842 54 H LEU 10 H LEU 10 -3.553 -2.454 -4.963 55 HA LEU 10 HA LEU 10 -1.839 -0.949 -6.845 56 HB2 LEU 10 1HB LEU 10 -2.715 -0.255 -4.015 57 HB3 LEU 10 2HB LEU 10 -2.033 0.834 -5.221 58 HG LEU 10 HG LEU 10 -4.790 -0.471 -5.380 59 HD11 LEU 10 1HD1 LEU 10 -3.965 2.392 -4.754 60 HD12 LEU 10 2HD1 LEU 10 -4.599 1.204 -3.592 61 HD13 LEU 10 3HD1 LEU 10 -5.629 1.781 -4.912 62 HD21 LEU 10 3HD2 LEU 10 -3.884 -0.007 -7.628 63 HD22 LEU 10 1HD2 LEU 10 -3.481 1.656 -7.137 64 HD23 LEU 10 2HD2 LEU 10 -5.177 1.130 -7.229 65 H LYS 11 H LYS 11 0.327 -0.291 -6.202 66 HA LYS 11 HA LYS 11 1.577 -1.881 -3.998 67 HB2 LYS 11 1HB LYS 11 2.733 -1.409 -6.775 68 HB3 LYS 11 2HB LYS 11 3.624 -2.024 -5.387 69 HG2 LYS 11 1HG LYS 11 1.762 -3.862 -5.261 70 HG3 LYS 11 2HG LYS 11 1.347 -3.344 -6.893 71 HD2 LYS 11 1HD LYS 11 2.808 -5.231 -7.081 72 HD3 LYS 11 2HD LYS 11 3.743 -3.809 -7.574 73 HE2 LYS 11 1HE LYS 11 4.790 -3.726 -5.308 74 HE3 LYS 11 2HE LYS 11 3.816 -5.109 -4.801 75 HZ1 LYS 11 3HZ LYS 11 4.967 -6.450 -6.472 76 HZ2 LYS 11 1HZ LYS 11 6.055 -5.770 -5.457 77 HZ3 LYS 11 2HZ LYS 11 5.855 -5.164 -6.963 78 H CYS 12 H CYS 12 3.283 -1.070 -2.944 79 HA CYS 12 HA CYS 12 3.436 1.760 -2.522 80 HB2 CYS 12 1HB CYS 12 3.723 -0.042 -0.856 81 HB3 CYS 12 2HB CYS 12 5.246 -0.510 -1.640 82 HA PRO 13 HA PRO 13 6.487 2.448 -5.787 83 HB2 PRO 13 1HB PRO 13 6.773 5.130 -5.640 84 HB3 PRO 13 2HB PRO 13 5.202 4.384 -6.063 85 HG2 PRO 13 1HG PRO 13 6.117 5.360 -3.331 86 HG3 PRO 13 2HG PRO 13 4.592 5.756 -4.188 87 HD2 PRO 13 1HD PRO 13 4.784 3.741 -2.324 88 HD3 PRO 13 2HD PRO 13 3.676 3.648 -3.729 89 H THR 14 H THR 14 7.281 2.653 -2.469 90 HA THR 14 HA THR 14 9.863 3.974 -2.666 91 HB THR 14 HB THR 14 8.682 2.253 -0.459 92 HG1 THR 14 1HG THR 14 7.545 4.138 -0.806 93 HG21 THR 14 3HG2 THR 14 10.316 3.460 1.004 94 HG22 THR 14 1HG2 THR 14 11.120 4.085 -0.452 95 HG23 THR 14 2HG2 THR 14 11.090 2.335 -0.115 96 H ASP 15 H ASP 15 11.882 3.155 -3.031 97 HA ASP 15 HA ASP 15 12.012 0.699 -4.459 98 HB2 ASP 15 1HB ASP 15 14.287 1.251 -4.886 99 HB3 ASP 15 2HB ASP 15 13.335 2.726 -4.963 100 H GLY 16 H GLY 16 12.712 1.332 -1.092 101 HA2 GLY 16 1HA GLY 16 14.015 -1.275 -0.611 102 HA3 GLY 16 2HA GLY 16 13.637 -0.032 0.581 103 H CYS 17 H CYS 17 10.931 -0.717 -1.384 104 HA CYS 17 HA CYS 17 9.643 -2.414 0.713 105 HB2 CYS 17 1HB CYS 17 9.370 0.097 0.859 106 HB3 CYS 17 2HB CYS 17 8.485 0.007 -0.674 107 H ASP 18 H ASP 18 7.739 -3.476 0.045 108 HA ASP 18 HA ASP 18 7.229 -3.919 -2.829 109 HB2 ASP 18 1HB ASP 18 9.091 -5.487 -2.139 110 HB3 ASP 18 2HB ASP 18 7.965 -6.246 -1.013 111 H TYR 19 H TYR 19 5.837 -2.962 -0.247 112 HA TYR 19 HA TYR 19 3.721 -4.752 0.422 113 HB2 TYR 19 1HB TYR 19 4.360 -2.979 1.882 114 HB3 TYR 19 2HB TYR 19 4.127 -1.767 0.644 115 HD1 TYR 19 2HD TYR 19 2.460 -3.976 3.092 116 HD2 TYR 19 1HD TYR 19 1.833 -0.916 0.104 117 HE1 TYR 19 2HE TYR 19 0.162 -3.584 3.963 118 HE2 TYR 19 1HE TYR 19 -0.434 -0.507 1.010 119 HH TYR 19 HH TYR 19 -1.761 -2.355 3.775 120 H SER 20 H SER 20 1.625 -4.936 -0.218 121 HA SER 20 HA SER 20 0.568 -3.279 -2.404 122 HB2 SER 20 1HB SER 20 -0.234 -5.205 -3.682 123 HB3 SER 20 2HB SER 20 1.540 -5.205 -3.558 124 HG SER 20 HG SER 20 0.703 -7.284 -3.161 125 H THR 21 H THR 21 -1.670 -3.209 -2.594 126 HA THR 21 HA THR 21 -3.424 -4.655 -0.751 127 HB THR 21 HB THR 21 -2.617 -3.007 0.788 128 HG1 THR 21 1HG THR 21 -4.509 -2.261 1.415 129 HG21 THR 21 3HG2 THR 21 -1.841 -1.231 -0.784 130 HG22 THR 21 1HG2 THR 21 -2.898 -0.605 0.490 131 HG23 THR 21 2HG2 THR 21 -3.532 -0.838 -1.151 132 HA PRO 22 HA PRO 22 -6.214 -3.425 -4.071 133 HB2 PRO 22 1HB PRO 22 -8.624 -4.243 -3.126 134 HB3 PRO 22 2HB PRO 22 -7.337 -5.397 -3.589 135 HG2 PRO 22 1HG PRO 22 -7.987 -4.358 -0.807 136 HG3 PRO 22 2HG PRO 22 -7.784 -6.064 -1.328 137 HD2 PRO 22 1HD PRO 22 -5.757 -4.648 -0.191 138 HD3 PRO 22 2HD PRO 22 -5.440 -5.829 -1.487 139 H ASP 23 H ASP 23 -6.104 -1.861 -1.017 140 HA ASP 23 HA ASP 23 -8.301 0.047 -1.722 141 HB2 ASP 23 1HB ASP 23 -8.422 -1.414 0.423 142 HB3 ASP 23 2HB ASP 23 -7.091 -0.461 0.976 143 H LYS 24 H LYS 24 -7.849 2.149 -2.109 144 HA LYS 24 HA LYS 24 -5.136 3.115 -2.125 145 HB2 LYS 24 1HB LYS 24 -6.022 5.181 -2.937 146 HB3 LYS 24 2HB LYS 24 -6.834 3.841 -3.743 147 HG2 LYS 24 1HG LYS 24 -8.816 4.155 -2.249 148 HG3 LYS 24 2HG LYS 24 -7.990 5.511 -1.453 149 HD2 LYS 24 1HD LYS 24 -7.869 6.721 -3.604 150 HD3 LYS 24 2HD LYS 24 -8.711 5.375 -4.411 151 HE2 LYS 24 1HE LYS 24 -10.653 5.707 -2.878 152 HE3 LYS 24 2HE LYS 24 -9.806 7.061 -2.120 153 HZ1 LYS 24 3HZ LYS 24 -10.639 6.958 -4.971 154 HZ2 LYS 24 1HZ LYS 24 -9.842 8.204 -4.274 155 HZ3 LYS 24 2HZ LYS 24 -11.359 7.840 -3.802 156 H TYR 25 H TYR 25 -7.618 3.357 0.377 157 HA TYR 25 HA TYR 25 -6.196 5.496 1.806 158 HB2 TYR 25 1HB TYR 25 -8.457 3.760 2.826 159 HB3 TYR 25 2HB TYR 25 -7.901 5.292 3.464 160 HD1 TYR 25 2HD TYR 25 -7.990 7.353 1.748 161 HD2 TYR 25 1HD TYR 25 -10.323 3.740 1.394 162 HE1 TYR 25 2HE TYR 25 -9.692 8.578 0.399 163 HE2 TYR 25 1HE TYR 25 -12.024 4.966 0.056 164 HH TYR 25 HH TYR 25 -12.663 6.986 -0.823 165 H LYS 26 H LYS 26 -6.527 1.924 2.000 166 HA LYS 26 HA LYS 26 -4.785 1.586 4.296 167 HB2 LYS 26 1HB LYS 26 -5.195 -0.286 1.938 168 HB3 LYS 26 2HB LYS 26 -4.417 -0.702 3.452 169 HG2 LYS 26 1HG LYS 26 -6.534 -0.204 4.688 170 HG3 LYS 26 2HG LYS 26 -7.346 0.088 3.161 171 HD2 LYS 26 1HD LYS 26 -6.785 -2.268 2.458 172 HD3 LYS 26 2HD LYS 26 -6.027 -2.522 4.043 173 HE2 LYS 26 1HE LYS 26 -8.193 -1.987 5.152 174 HE3 LYS 26 2HE LYS 26 -8.945 -1.755 3.569 175 HZ1 LYS 26 3HZ LYS 26 -8.465 -4.099 3.076 176 HZ2 LYS 26 1HZ LYS 26 -9.365 -3.986 4.432 177 HZ3 LYS 26 2HZ LYS 26 -7.771 -4.309 4.542 178 H LEU 27 H LEU 27 -4.063 1.868 0.787 179 HA LEU 27 HA LEU 27 -1.233 1.642 1.088 180 HB2 LEU 27 1HB LEU 27 -2.424 1.443 -1.063 181 HB3 LEU 27 2HB LEU 27 -2.819 3.157 -1.011 182 HG LEU 27 HG LEU 27 -0.434 3.753 -1.160 183 HD11 LEU 27 1HD1 LEU 27 0.062 0.744 -1.323 184 HD12 LEU 27 2HD1 LEU 27 0.657 1.852 -0.058 185 HD13 LEU 27 3HD1 LEU 27 1.256 2.004 -1.706 186 HD21 LEU 27 3HD2 LEU 27 -1.238 1.710 -3.255 187 HD22 LEU 27 1HD2 LEU 27 -0.048 3.012 -3.459 188 HD23 LEU 27 2HD2 LEU 27 -1.760 3.410 -3.223 189 H GLN 28 H GLN 28 -3.289 4.645 1.081 190 HA GLN 28 HA GLN 28 -1.209 6.513 1.561 191 HB2 GLN 28 1HB GLN 28 -4.126 6.409 2.420 192 HB3 GLN 28 2HB GLN 28 -3.081 7.779 2.821 193 HG2 GLN 28 1HG GLN 28 -2.581 8.186 0.521 194 HG3 GLN 28 2HG GLN 28 -3.479 6.785 -0.031 195 HE21 GLN 28 1HE2 GLN 28 -4.307 8.909 -1.323 196 HE22 GLN 28 2HE2 GLN 28 -5.784 9.574 -0.639 197 H ALA 29 H ALA 29 -3.068 4.664 3.942 198 HA ALA 29 HA ALA 29 -1.647 5.508 6.266 199 HB1 ALA 29 1HB ALA 29 -2.731 3.584 7.345 200 HB2 ALA 29 2HB ALA 29 -3.871 4.443 6.292 201 HB3 ALA 29 3HB ALA 29 -3.150 2.907 5.760 202 H HIS 30 H HIS 30 -0.557 3.336 3.776 203 HA HIS 30 HA HIS 30 1.748 2.380 5.434 204 HB2 HIS 30 1HB HIS 30 0.534 0.703 4.163 205 HB3 HIS 30 2HB HIS 30 0.713 1.631 2.674 206 HD1 HIS 30 1HD HIS 30 2.895 -0.373 5.148 207 HD2 HIS 30 2HD HIS 30 3.015 1.556 1.416 208 HE1 HIS 30 1HE HIS 30 5.179 -0.896 4.179 209 H LEU 31 H LEU 31 1.049 4.607 2.692 210 HA LEU 31 HA LEU 31 3.797 5.119 2.036 211 HB2 LEU 31 1HB LEU 31 1.308 6.825 1.788 212 HB3 LEU 31 2HB LEU 31 2.860 7.295 1.115 213 HG LEU 31 HG LEU 31 1.367 4.767 0.297 214 HD11 LEU 31 1HD1 LEU 31 0.809 5.995 -1.755 215 HD12 LEU 31 2HD1 LEU 31 1.588 7.457 -1.109 216 HD13 LEU 31 3HD1 LEU 31 0.124 6.807 -0.341 217 HD21 LEU 31 3HD2 LEU 31 3.774 6.167 -0.918 218 HD22 LEU 31 1HD2 LEU 31 2.875 4.809 -1.634 219 HD23 LEU 31 2HD2 LEU 31 3.760 4.569 -0.127 220 H LYS 32 H LYS 32 1.696 6.578 4.527 221 HA LYS 32 HA LYS 32 3.469 8.634 5.341 222 HB2 LYS 32 1HB LYS 32 2.201 8.799 7.356 223 HB3 LYS 32 2HB LYS 32 1.109 8.506 6.003 224 HG2 LYS 32 1HG LYS 32 0.939 6.120 6.658 225 HG3 LYS 32 2HG LYS 32 2.041 6.405 8.020 226 HD2 LYS 32 1HD LYS 32 0.422 8.091 8.927 227 HD3 LYS 32 2HD LYS 32 -0.706 7.667 7.621 228 HE2 LYS 32 1HE LYS 32 -0.726 5.308 8.423 229 HE3 LYS 32 2HE LYS 32 0.421 5.727 9.699 230 HZ1 LYS 32 3HZ LYS 32 -1.253 7.233 10.630 231 HZ2 LYS 32 1HZ LYS 32 -1.861 5.725 10.531 232 HZ3 LYS 32 2HZ LYS 32 -2.321 6.858 9.450 233 H VAL 33 H VAL 33 3.737 5.230 5.945 234 HA VAL 33 HA VAL 33 5.500 5.169 8.188 235 HB VAL 33 HB VAL 33 5.316 3.268 5.820 236 HG11 VAL 33 1HG1 VAL 33 7.203 2.705 7.214 237 HG12 VAL 33 2HG1 VAL 33 6.154 2.706 8.661 238 HG13 VAL 33 3HG1 VAL 33 5.902 1.512 7.356 239 HG21 VAL 33 3HG2 VAL 33 3.043 3.619 6.879 240 HG22 VAL 33 1HG2 VAL 33 3.668 1.988 7.098 241 HG23 VAL 33 2HG2 VAL 33 3.743 3.158 8.439 242 H HIS 34 H HIS 34 6.047 5.770 4.735 243 HA HIS 34 HA HIS 34 8.976 5.539 4.982 244 HB2 HIS 34 1HB HIS 34 7.165 6.147 2.616 245 HB3 HIS 34 2HB HIS 34 8.904 5.857 2.535 246 HD1 HIS 34 1HD HIS 34 9.468 3.278 3.944 247 HD2 HIS 34 2HD HIS 34 5.848 4.012 1.925 248 HE1 HIS 34 1HE HIS 34 8.485 0.992 3.438 249 H THR 35 H THR 35 6.586 8.144 4.742 250 HA THR 35 HA THR 35 8.652 10.168 4.196 251 HB THR 35 HB THR 35 6.287 10.147 3.269 252 HG1 THR 35 1HG THR 35 6.277 12.381 3.233 253 HG21 THR 35 3HG2 THR 35 5.600 11.612 5.847 254 HG22 THR 35 1HG2 THR 35 5.174 9.919 5.556 255 HG23 THR 35 2HG2 THR 35 4.528 11.183 4.494 256 H ALA 36 H ALA 36 7.308 8.776 7.059 257 HA ALA 36 HA ALA 36 7.681 10.918 8.897 258 HB1 ALA 36 1HB ALA 36 7.774 7.900 9.314 259 HB2 ALA 36 2HB ALA 36 7.591 9.119 10.593 260 HB3 ALA 36 3HB ALA 36 6.323 8.928 9.369 261 H LEU 37 H LEU 37 9.286 11.247 10.476 262 HA LEU 37 HA LEU 37 12.050 10.448 9.709 263 HB2 LEU 37 1HB LEU 37 11.226 12.772 9.021 264 HB3 LEU 37 2HB LEU 37 11.192 13.173 10.732 265 HG LEU 37 HG LEU 37 13.679 12.758 10.838 266 HD11 LEU 37 1HD1 LEU 37 13.402 12.373 7.825 267 HD12 LEU 37 2HD1 LEU 37 13.983 11.164 8.995 268 HD13 LEU 37 3HD1 LEU 37 14.934 12.618 8.695 269 HD21 LEU 37 3HD2 LEU 37 12.769 15.011 10.418 270 HD22 LEU 37 1HD2 LEU 37 12.792 14.698 8.668 271 HD23 LEU 37 2HD2 LEU 37 14.313 14.763 9.589 272 H ASP 38 H ASP 38 10.599 9.003 11.561 273 HA ASP 38 HA ASP 38 12.180 9.339 14.051 274 HB2 ASP 38 1HB ASP 38 10.035 10.470 14.466 275 HB3 ASP 38 2HB ASP 38 9.156 9.029 13.966 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -4.567 -17.113 -12.453 2 H2 GLY 1 2H GLY 1 -3.593 -16.565 -13.650 3 H3 GLY 1 3H GLY 1 -3.268 -17.996 -12.921 4 HA2 GLY 1 1HA GLY 1 -4.228 -18.377 -15.096 5 HA3 GLY 1 2HA GLY 1 -5.265 -18.993 -13.796 6 H SER 2 H SER 2 -5.982 -18.114 -16.545 7 HA SER 2 HA SER 2 -7.127 -15.510 -16.557 8 HB2 SER 2 1HB SER 2 -8.244 -16.296 -18.637 9 HB3 SER 2 2HB SER 2 -6.502 -16.612 -18.592 10 HG SER 2 HG SER 2 -7.712 -18.436 -19.321 11 H SER 3 H SER 3 -8.455 -18.446 -15.224 12 HA SER 3 HA SER 3 -11.225 -17.620 -15.172 13 HB2 SER 3 1HB SER 3 -9.762 -19.590 -13.375 14 HB3 SER 3 2HB SER 3 -11.517 -19.458 -13.593 15 HG SER 3 HG SER 3 -10.610 -21.122 -14.889 16 H GLY 4 H GLY 4 -8.551 -16.423 -13.394 17 HA2 GLY 4 1HA GLY 4 -9.849 -15.850 -10.861 18 HA3 GLY 4 2HA GLY 4 -8.320 -15.205 -11.446 19 H SER 5 H SER 5 -9.805 -13.546 -10.023 20 HA SER 5 HA SER 5 -11.735 -11.945 -11.364 21 HB2 SER 5 1HB SER 5 -9.853 -11.171 -9.104 22 HB3 SER 5 2HB SER 5 -11.340 -10.325 -9.568 23 HG SER 5 HG SER 5 -11.676 -11.779 -7.814 24 H SER 6 H SER 6 -11.639 -9.882 -12.304 25 HA SER 6 HA SER 6 -9.277 -9.318 -13.908 26 HB2 SER 6 1HB SER 6 -10.703 -7.498 -14.823 27 HB3 SER 6 2HB SER 6 -11.459 -9.099 -14.886 28 HG SER 6 HG SER 6 -12.902 -7.478 -14.105 29 H GLY 7 H GLY 7 -10.537 -8.028 -10.897 30 HA2 GLY 7 1HA GLY 7 -9.064 -5.534 -10.888 31 HA3 GLY 7 2HA GLY 7 -9.808 -6.319 -9.498 32 H ILE 8 H ILE 8 -7.227 -4.975 -9.703 33 HA ILE 8 HA ILE 8 -5.406 -7.131 -8.751 34 HB ILE 8 HB ILE 8 -3.504 -6.047 -9.831 35 HG12 ILE 8 1HG1 ILE 8 -5.527 -4.382 -11.400 36 HG13 ILE 8 2HG1 ILE 8 -4.494 -3.762 -10.108 37 HG21 ILE 8 1HG2 ILE 8 -4.708 -8.008 -10.824 38 HG22 ILE 8 2HG2 ILE 8 -5.599 -6.886 -11.873 39 HG23 ILE 8 3HG2 ILE 8 -3.836 -7.034 -12.007 40 HD11 ILE 8 3HD1 ILE 8 -3.554 -4.884 -12.770 41 HD12 ILE 8 1HD1 ILE 8 -3.483 -3.205 -12.212 42 HD13 ILE 8 2HD1 ILE 8 -2.479 -4.438 -11.420 43 H LEU 9 H LEU 9 -3.717 -6.451 -7.335 44 HA LEU 9 HA LEU 9 -4.587 -4.450 -5.412 45 HB2 LEU 9 1HB LEU 9 -2.250 -6.375 -5.596 46 HB3 LEU 9 2HB LEU 9 -2.268 -5.078 -4.411 47 HG LEU 9 HG LEU 9 -4.321 -5.886 -3.419 48 HD11 LEU 9 1HD1 LEU 9 -5.450 -7.035 -5.250 49 HD12 LEU 9 2HD1 LEU 9 -5.174 -8.168 -3.929 50 HD13 LEU 9 3HD1 LEU 9 -4.123 -8.221 -5.362 51 HD21 LEU 9 3HD2 LEU 9 -2.151 -6.644 -2.563 52 HD22 LEU 9 1HD2 LEU 9 -2.190 -8.035 -3.668 53 HD23 LEU 9 2HD2 LEU 9 -3.388 -7.892 -2.360 54 H LEU 10 H LEU 10 -3.722 -2.560 -4.869 55 HA LEU 10 HA LEU 10 -2.030 -1.041 -6.736 56 HB2 LEU 10 1HB LEU 10 -3.039 -0.269 -3.972 57 HB3 LEU 10 2HB LEU 10 -2.430 0.804 -5.232 58 HG LEU 10 HG LEU 10 -5.051 -0.754 -5.329 59 HD11 LEU 10 1HD1 LEU 10 -5.022 1.097 -3.715 60 HD12 LEU 10 2HD1 LEU 10 -6.089 1.449 -5.085 61 HD13 LEU 10 3HD1 LEU 10 -4.487 2.219 -4.988 62 HD21 LEU 10 3HD2 LEU 10 -3.890 1.291 -7.278 63 HD22 LEU 10 1HD2 LEU 10 -5.541 0.631 -7.330 64 HD23 LEU 10 2HD2 LEU 10 -4.160 -0.438 -7.607 65 H LYS 11 H LYS 11 0.054 -0.177 -6.074 66 HA LYS 11 HA LYS 11 1.491 -1.861 -4.050 67 HB2 LYS 11 1HB LYS 11 2.377 -1.263 -6.898 68 HB3 LYS 11 2HB LYS 11 3.259 -2.209 -5.694 69 HG2 LYS 11 1HG LYS 11 1.403 -3.875 -5.650 70 HG3 LYS 11 2HG LYS 11 0.540 -2.927 -6.870 71 HD2 LYS 11 1HD LYS 11 2.421 -3.274 -8.468 72 HD3 LYS 11 2HD LYS 11 3.230 -4.275 -7.253 73 HE2 LYS 11 1HE LYS 11 2.099 -5.744 -8.786 74 HE3 LYS 11 2HE LYS 11 1.271 -5.823 -7.230 75 HZ1 LYS 11 3HZ LYS 11 0.350 -4.210 -9.555 76 HZ2 LYS 11 1HZ LYS 11 -0.460 -4.354 -8.136 77 HZ3 LYS 11 2HZ LYS 11 -0.277 -5.648 -9.115 78 H CYS 12 H CYS 12 3.249 -1.032 -3.049 79 HA CYS 12 HA CYS 12 3.426 1.819 -2.767 80 HB2 CYS 12 1HB CYS 12 3.742 0.140 -0.990 81 HB3 CYS 12 2HB CYS 12 5.243 -0.388 -1.773 82 HA PRO 13 HA PRO 13 6.472 2.298 -6.101 83 HB2 PRO 13 1HB PRO 13 6.657 4.992 -6.176 84 HB3 PRO 13 2HB PRO 13 5.122 4.163 -6.576 85 HG2 PRO 13 1HG PRO 13 5.928 5.396 -3.914 86 HG3 PRO 13 2HG PRO 13 4.415 5.664 -4.841 87 HD2 PRO 13 1HD PRO 13 4.636 3.816 -2.804 88 HD3 PRO 13 2HD PRO 13 3.549 3.581 -4.209 89 H THR 14 H THR 14 7.099 2.753 -2.792 90 HA THR 14 HA THR 14 9.495 4.333 -2.922 91 HB THR 14 HB THR 14 8.649 2.537 -0.627 92 HG1 THR 14 1HG THR 14 6.930 3.796 -0.953 93 HG21 THR 14 3HG2 THR 14 10.873 3.499 -0.293 94 HG22 THR 14 1HG2 THR 14 9.716 4.350 0.731 95 HG23 THR 14 2HG2 THR 14 10.282 5.112 -0.767 96 H ASP 15 H ASP 15 11.659 3.806 -2.884 97 HA ASP 15 HA ASP 15 12.503 1.333 -4.011 98 HB2 ASP 15 1HB ASP 15 13.724 3.442 -4.269 99 HB3 ASP 15 2HB ASP 15 14.084 3.472 -2.541 100 H GLY 16 H GLY 16 13.201 -0.554 -3.187 101 HA2 GLY 16 1HA GLY 16 13.806 -2.203 -1.694 102 HA3 GLY 16 2HA GLY 16 14.000 -0.988 -0.431 103 H CYS 17 H CYS 17 10.902 -0.481 -1.478 104 HA CYS 17 HA CYS 17 9.677 -2.102 0.659 105 HB2 CYS 17 1HB CYS 17 9.310 0.379 0.238 106 HB3 CYS 17 2HB CYS 17 8.341 -0.105 -1.166 107 H ASP 18 H ASP 18 7.779 -3.305 0.276 108 HA ASP 18 HA ASP 18 7.462 -4.600 -2.393 109 HB2 ASP 18 1HB ASP 18 9.176 -5.817 -0.983 110 HB3 ASP 18 2HB ASP 18 7.903 -6.141 0.191 111 H TYR 19 H TYR 19 5.885 -2.903 -0.219 112 HA TYR 19 HA TYR 19 3.683 -4.558 0.602 113 HB2 TYR 19 1HB TYR 19 4.431 -2.679 1.905 114 HB3 TYR 19 2HB TYR 19 4.161 -1.571 0.576 115 HD1 TYR 19 2HD TYR 19 2.562 -3.589 3.232 116 HD2 TYR 19 1HD TYR 19 1.876 -0.813 -0.002 117 HE1 TYR 19 2HE TYR 19 0.258 -3.170 4.078 118 HE2 TYR 19 1HE TYR 19 -0.416 -0.384 0.862 119 HH TYR 19 HH TYR 19 -1.690 -2.008 3.788 120 H SER 20 H SER 20 1.635 -4.765 -0.109 121 HA SER 20 HA SER 20 0.572 -3.101 -2.254 122 HB2 SER 20 1HB SER 20 -0.217 -5.006 -3.611 123 HB3 SER 20 2HB SER 20 1.549 -4.879 -3.581 124 HG SER 20 HG SER 20 1.623 -6.572 -2.096 125 H THR 21 H THR 21 -1.712 -3.177 -2.486 126 HA THR 21 HA THR 21 -3.360 -4.646 -0.553 127 HB THR 21 HB THR 21 -2.562 -2.914 0.896 128 HG1 THR 21 1HG THR 21 -4.461 -2.275 1.579 129 HG21 THR 21 3HG2 THR 21 -2.918 -0.535 0.509 130 HG22 THR 21 1HG2 THR 21 -3.609 -0.853 -1.093 131 HG23 THR 21 2HG2 THR 21 -1.896 -1.182 -0.780 132 HA PRO 22 HA PRO 22 -6.288 -3.647 -3.821 133 HB2 PRO 22 1HB PRO 22 -8.646 -4.491 -2.768 134 HB3 PRO 22 2HB PRO 22 -7.334 -5.623 -3.221 135 HG2 PRO 22 1HG PRO 22 -7.935 -4.488 -0.467 136 HG3 PRO 22 2HG PRO 22 -7.694 -6.206 -0.921 137 HD2 PRO 22 1HD PRO 22 -5.678 -4.688 0.091 138 HD3 PRO 22 2HD PRO 22 -5.365 -5.908 -1.170 139 H ASP 23 H ASP 23 -6.180 -1.942 -0.822 140 HA ASP 23 HA ASP 23 -8.399 -0.102 -1.634 141 HB2 ASP 23 1HB ASP 23 -8.409 -1.418 0.634 142 HB3 ASP 23 2HB ASP 23 -7.186 -0.292 1.100 143 H LYS 24 H LYS 24 -7.979 1.918 -2.207 144 HA LYS 24 HA LYS 24 -5.416 3.131 -2.509 145 HB2 LYS 24 1HB LYS 24 -7.442 3.777 -3.749 146 HB3 LYS 24 2HB LYS 24 -8.223 4.310 -2.254 147 HG2 LYS 24 1HG LYS 24 -6.544 6.114 -1.997 148 HG3 LYS 24 2HG LYS 24 -5.722 5.557 -3.470 149 HD2 LYS 24 1HD LYS 24 -7.774 6.037 -4.784 150 HD3 LYS 24 2HD LYS 24 -8.612 6.541 -3.299 151 HE2 LYS 24 1HE LYS 24 -6.927 8.340 -2.968 152 HE3 LYS 24 2HE LYS 24 -6.112 7.851 -4.462 153 HZ1 LYS 24 3HZ LYS 24 -8.161 8.402 -5.674 154 HZ2 LYS 24 1HZ LYS 24 -7.633 9.707 -4.851 155 HZ3 LYS 24 2HZ LYS 24 -8.908 8.857 -4.293 156 H TYR 25 H TYR 25 -7.747 3.373 0.195 157 HA TYR 25 HA TYR 25 -6.202 5.484 1.483 158 HB2 TYR 25 1HB TYR 25 -8.549 3.857 2.503 159 HB3 TYR 25 2HB TYR 25 -7.892 5.312 3.249 160 HD1 TYR 25 2HD TYR 25 -7.786 7.476 1.796 161 HD2 TYR 25 1HD TYR 25 -10.224 4.055 0.803 162 HE1 TYR 25 2HE TYR 25 -9.129 8.880 0.237 163 HE2 TYR 25 1HE TYR 25 -11.565 5.462 -0.749 164 HH TYR 25 HH TYR 25 -11.864 7.545 -1.661 165 H LYS 26 H LYS 26 -6.322 1.953 1.817 166 HA LYS 26 HA LYS 26 -4.658 1.695 4.162 167 HB2 LYS 26 1HB LYS 26 -5.179 -0.079 1.794 168 HB3 LYS 26 2HB LYS 26 -4.119 -0.524 3.106 169 HG2 LYS 26 1HG LYS 26 -6.489 -1.368 3.179 170 HG3 LYS 26 2HG LYS 26 -5.786 -0.770 4.648 171 HD2 LYS 26 1HD LYS 26 -7.142 1.220 4.632 172 HD3 LYS 26 2HD LYS 26 -7.720 0.865 3.002 173 HE2 LYS 26 1HE LYS 26 -8.566 -1.387 4.007 174 HE3 LYS 26 2HE LYS 26 -8.352 -0.601 5.578 175 HZ1 LYS 26 3HZ LYS 26 -9.874 1.169 4.751 176 HZ2 LYS 26 1HZ LYS 26 -10.607 -0.292 4.739 177 HZ3 LYS 26 2HZ LYS 26 -10.067 0.349 3.334 178 H LEU 27 H LEU 27 -3.947 1.954 0.641 179 HA LEU 27 HA LEU 27 -1.110 1.798 0.937 180 HB2 LEU 27 1HB LEU 27 -2.370 1.433 -1.201 181 HB3 LEU 27 2HB LEU 27 -2.713 3.158 -1.247 182 HG LEU 27 HG LEU 27 -0.326 3.686 -1.475 183 HD11 LEU 27 1HD1 LEU 27 1.323 1.873 -1.906 184 HD12 LEU 27 2HD1 LEU 27 0.113 0.665 -1.424 185 HD13 LEU 27 3HD1 LEU 27 0.743 1.849 -0.247 186 HD21 LEU 27 3HD2 LEU 27 -1.164 1.497 -3.408 187 HD22 LEU 27 1HD2 LEU 27 0.018 2.784 -3.714 188 HD23 LEU 27 2HD2 LEU 27 -1.692 3.195 -3.497 189 H GLN 28 H GLN 28 -3.276 4.692 0.802 190 HA GLN 28 HA GLN 28 -1.243 6.663 1.133 191 HB2 GLN 28 1HB GLN 28 -4.152 6.562 2.051 192 HB3 GLN 28 2HB GLN 28 -3.113 7.981 2.271 193 HG2 GLN 28 1HG GLN 28 -2.651 8.033 -0.133 194 HG3 GLN 28 2HG GLN 28 -3.752 6.697 -0.421 195 HE21 GLN 28 1HE2 GLN 28 -4.236 9.019 -1.809 196 HE22 GLN 28 2HE2 GLN 28 -5.630 9.841 -1.118 197 H ALA 29 H ALA 29 -3.053 4.886 3.632 198 HA ALA 29 HA ALA 29 -1.653 5.933 5.889 199 HB1 ALA 29 1HB ALA 29 -3.004 3.222 5.546 200 HB2 ALA 29 2HB ALA 29 -2.591 4.003 7.085 201 HB3 ALA 29 3HB ALA 29 -3.805 4.738 6.019 202 H HIS 30 H HIS 30 -0.731 3.254 3.688 203 HA HIS 30 HA HIS 30 1.591 2.479 5.282 204 HB2 HIS 30 1HB HIS 30 0.563 0.850 3.834 205 HB3 HIS 30 2HB HIS 30 0.757 1.890 2.420 206 HD1 HIS 30 1HD HIS 30 2.954 -0.169 4.843 207 HD2 HIS 30 2HD HIS 30 3.103 1.952 1.219 208 HE1 HIS 30 1HE HIS 30 5.282 -0.559 3.915 209 H LEU 31 H LEU 31 1.167 4.710 2.455 210 HA LEU 31 HA LEU 31 3.927 5.188 2.003 211 HB2 LEU 31 1HB LEU 31 1.501 6.977 1.683 212 HB3 LEU 31 2HB LEU 31 3.099 7.447 1.129 213 HG LEU 31 HG LEU 31 1.652 4.957 0.127 214 HD11 LEU 31 1HD1 LEU 31 0.445 7.025 -0.496 215 HD12 LEU 31 2HD1 LEU 31 1.199 6.257 -1.900 216 HD13 LEU 31 3HD1 LEU 31 1.948 7.696 -1.168 217 HD21 LEU 31 3HD2 LEU 31 3.276 5.111 -1.724 218 HD22 LEU 31 1HD2 LEU 31 4.054 4.755 -0.183 219 HD23 LEU 31 2HD2 LEU 31 4.139 6.401 -0.861 220 H LYS 32 H LYS 32 1.820 6.578 4.482 221 HA LYS 32 HA LYS 32 3.632 8.524 5.547 222 HB2 LYS 32 1HB LYS 32 1.405 6.923 6.868 223 HB3 LYS 32 2HB LYS 32 2.268 8.256 7.644 224 HG2 LYS 32 1HG LYS 32 1.536 9.815 5.885 225 HG3 LYS 32 2HG LYS 32 0.671 8.509 5.058 226 HD2 LYS 32 1HD LYS 32 -0.769 8.191 7.060 227 HD3 LYS 32 2HD LYS 32 0.091 9.515 7.877 228 HE2 LYS 32 1HE LYS 32 -0.596 11.064 6.045 229 HE3 LYS 32 2HE LYS 32 -1.476 9.745 5.265 230 HZ1 LYS 32 3HZ LYS 32 -2.079 10.836 7.966 231 HZ2 LYS 32 1HZ LYS 32 -2.896 9.615 7.251 232 HZ3 LYS 32 2HZ LYS 32 -2.955 11.118 6.620 233 H VAL 33 H VAL 33 3.784 5.028 5.818 234 HA VAL 33 HA VAL 33 5.362 4.933 8.226 235 HB VAL 33 HB VAL 33 4.091 3.047 6.799 236 HG11 VAL 33 1HG1 VAL 33 5.570 1.472 5.740 237 HG12 VAL 33 2HG1 VAL 33 5.794 3.022 4.920 238 HG13 VAL 33 3HG1 VAL 33 7.000 2.455 6.091 239 HG21 VAL 33 3HG2 VAL 33 5.196 1.366 8.137 240 HG22 VAL 33 1HG2 VAL 33 6.510 2.503 8.534 241 HG23 VAL 33 2HG2 VAL 33 4.844 2.815 9.090 242 H HIS 34 H HIS 34 6.158 5.626 4.888 243 HA HIS 34 HA HIS 34 9.055 5.353 5.283 244 HB2 HIS 34 1HB HIS 34 7.405 6.328 2.921 245 HB3 HIS 34 2HB HIS 34 9.144 6.048 2.915 246 HD1 HIS 34 1HD HIS 34 9.724 3.303 3.777 247 HD2 HIS 34 2HD HIS 34 6.093 4.313 1.911 248 HE1 HIS 34 1HE HIS 34 8.809 1.133 2.837 249 H THR 35 H THR 35 6.681 8.006 5.320 250 HA THR 35 HA THR 35 8.802 10.060 5.333 251 HB THR 35 HB THR 35 6.954 11.667 5.521 252 HG1 THR 35 1HG THR 35 4.858 10.926 5.389 253 HG21 THR 35 3HG2 THR 35 6.000 11.326 3.304 254 HG22 THR 35 1HG2 THR 35 6.465 9.612 3.316 255 HG23 THR 35 2HG2 THR 35 7.714 10.877 3.278 256 H ALA 36 H ALA 36 6.564 8.585 7.712 257 HA ALA 36 HA ALA 36 7.253 10.305 9.884 258 HB1 ALA 36 1HB ALA 36 6.227 7.435 9.899 259 HB2 ALA 36 2HB ALA 36 6.160 8.581 11.255 260 HB3 ALA 36 3HB ALA 36 5.224 8.903 9.783 261 H LEU 37 H LEU 37 9.178 7.893 8.400 262 HA LEU 37 HA LEU 37 10.840 7.122 10.619 263 HB2 LEU 37 1HB LEU 37 10.572 5.890 8.470 264 HB3 LEU 37 2HB LEU 37 11.363 7.216 7.619 265 HG LEU 37 HG LEU 37 13.476 6.756 8.826 266 HD11 LEU 37 1HD1 LEU 37 13.701 4.646 10.132 267 HD12 LEU 37 2HD1 LEU 37 11.937 4.421 10.057 268 HD13 LEU 37 3HD1 LEU 37 12.638 5.802 10.935 269 HD21 LEU 37 3HD2 LEU 37 12.246 4.286 7.537 270 HD22 LEU 37 1HD2 LEU 37 13.982 4.623 7.729 271 HD23 LEU 37 2HD2 LEU 37 12.995 5.650 6.676 272 H ASP 38 H ASP 38 10.702 9.991 8.661 273 HA ASP 38 HA ASP 38 11.966 11.846 8.382 274 HB2 ASP 38 1HB ASP 38 10.859 12.172 10.523 275 HB3 ASP 38 2HB ASP 38 12.240 11.492 11.376 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -9.429 -21.489 -11.354 2 H2 GLY 1 2H GLY 1 -8.636 -22.923 -11.417 3 H3 GLY 1 3H GLY 1 -8.024 -21.682 -10.536 4 HA2 GLY 1 1HA GLY 1 -10.539 -23.112 -9.964 5 HA3 GLY 1 2HA GLY 1 -9.017 -23.316 -9.077 6 H SER 2 H SER 2 -10.877 -22.752 -7.430 7 HA SER 2 HA SER 2 -11.577 -19.953 -7.127 8 HB2 SER 2 1HB SER 2 -11.967 -22.272 -5.206 9 HB3 SER 2 2HB SER 2 -12.786 -20.702 -5.149 10 HG SER 2 HG SER 2 -13.779 -21.185 -7.132 11 H SER 3 H SER 3 -8.927 -19.837 -7.219 12 HA SER 3 HA SER 3 -7.578 -20.147 -4.680 13 HB2 SER 3 1HB SER 3 -6.581 -18.894 -7.260 14 HB3 SER 3 2HB SER 3 -5.596 -19.462 -5.896 15 HG SER 3 HG SER 3 -5.693 -21.031 -7.548 16 H GLY 4 H GLY 4 -9.508 -18.465 -3.989 17 HA2 GLY 4 1HA GLY 4 -9.830 -16.513 -2.754 18 HA3 GLY 4 2HA GLY 4 -8.169 -16.033 -3.084 19 H SER 5 H SER 5 -9.180 -13.886 -3.258 20 HA SER 5 HA SER 5 -11.072 -13.169 -5.247 21 HB2 SER 5 1HB SER 5 -8.972 -11.427 -3.904 22 HB3 SER 5 2HB SER 5 -10.421 -10.858 -4.755 23 HG SER 5 HG SER 5 -10.735 -10.978 -2.475 24 H SER 6 H SER 6 -10.953 -12.347 -7.286 25 HA SER 6 HA SER 6 -8.482 -12.819 -8.813 26 HB2 SER 6 1HB SER 6 -9.989 -12.584 -10.761 27 HB3 SER 6 2HB SER 6 -10.522 -13.815 -9.604 28 HG SER 6 HG SER 6 -12.250 -12.451 -10.295 29 H GLY 7 H GLY 7 -9.916 -10.054 -7.411 30 HA2 GLY 7 1HA GLY 7 -9.330 -8.057 -9.389 31 HA3 GLY 7 2HA GLY 7 -9.599 -7.774 -7.672 32 H ILE 8 H ILE 8 -7.723 -6.396 -9.334 33 HA ILE 8 HA ILE 8 -5.047 -7.371 -8.584 34 HB ILE 8 HB ILE 8 -4.180 -5.610 -10.013 35 HG12 ILE 8 1HG1 ILE 8 -7.076 -5.010 -10.783 36 HG13 ILE 8 2HG1 ILE 8 -6.054 -3.968 -9.788 37 HG21 ILE 8 1HG2 ILE 8 -4.684 -7.927 -10.814 38 HG22 ILE 8 2HG2 ILE 8 -6.246 -7.347 -11.432 39 HG23 ILE 8 3HG2 ILE 8 -4.722 -6.721 -12.099 40 HD11 ILE 8 3HD1 ILE 8 -4.438 -3.776 -11.685 41 HD12 ILE 8 1HD1 ILE 8 -5.584 -4.683 -12.703 42 HD13 ILE 8 2HD1 ILE 8 -6.049 -3.113 -12.030 43 H LEU 9 H LEU 9 -3.585 -6.278 -7.440 44 HA LEU 9 HA LEU 9 -4.587 -4.380 -5.396 45 HB2 LEU 9 1HB LEU 9 -2.167 -6.218 -5.587 46 HB3 LEU 9 2HB LEU 9 -2.291 -4.933 -4.394 47 HG LEU 9 HG LEU 9 -4.341 -5.894 -3.491 48 HD11 LEU 9 1HD1 LEU 9 -4.882 -8.300 -3.953 49 HD12 LEU 9 2HD1 LEU 9 -3.806 -8.229 -5.366 50 HD13 LEU 9 3HD1 LEU 9 -5.278 -7.225 -5.286 51 HD21 LEU 9 3HD2 LEU 9 -1.983 -7.809 -3.567 52 HD22 LEU 9 1HD2 LEU 9 -3.255 -7.769 -2.324 53 HD23 LEU 9 2HD2 LEU 9 -2.152 -6.402 -2.499 54 H LEU 10 H LEU 10 -3.513 -2.540 -4.797 55 HA LEU 10 HA LEU 10 -1.900 -1.084 -6.810 56 HB2 LEU 10 1HB LEU 10 -2.795 -0.235 -4.029 57 HB3 LEU 10 2HB LEU 10 -2.146 0.798 -5.302 58 HG LEU 10 HG LEU 10 -4.853 -0.611 -5.375 59 HD11 LEU 10 1HD1 LEU 10 -4.708 1.201 -3.722 60 HD12 LEU 10 2HD1 LEU 10 -5.768 1.637 -5.075 61 HD13 LEU 10 3HD1 LEU 10 -4.127 2.318 -4.978 62 HD21 LEU 10 3HD2 LEU 10 -5.290 0.836 -7.340 63 HD22 LEU 10 1HD2 LEU 10 -3.963 -0.290 -7.655 64 HD23 LEU 10 2HD2 LEU 10 -3.609 1.416 -7.289 65 H LYS 11 H LYS 11 0.231 -0.284 -6.219 66 HA LYS 11 HA LYS 11 1.658 -1.938 -4.155 67 HB2 LYS 11 1HB LYS 11 2.594 -1.213 -6.958 68 HB3 LYS 11 2HB LYS 11 3.570 -2.014 -5.721 69 HG2 LYS 11 1HG LYS 11 1.953 -3.909 -5.671 70 HG3 LYS 11 2HG LYS 11 1.015 -3.133 -6.962 71 HD2 LYS 11 1HD LYS 11 2.993 -3.233 -8.460 72 HD3 LYS 11 2HD LYS 11 3.924 -4.028 -7.171 73 HE2 LYS 11 1HE LYS 11 2.279 -5.894 -7.141 74 HE3 LYS 11 2HE LYS 11 1.351 -5.100 -8.421 75 HZ1 LYS 11 3HZ LYS 11 3.292 -5.330 -9.881 76 HZ2 LYS 11 1HZ LYS 11 2.836 -6.795 -9.327 77 HZ3 LYS 11 2HZ LYS 11 4.150 -6.063 -8.698 78 H CYS 12 H CYS 12 3.359 -1.080 -3.077 79 HA CYS 12 HA CYS 12 3.361 1.730 -2.574 80 HB2 CYS 12 1HB CYS 12 3.824 -0.096 -0.976 81 HB3 CYS 12 2HB CYS 12 5.367 -0.405 -1.801 82 HA PRO 13 HA PRO 13 6.213 2.835 -5.875 83 HB2 PRO 13 1HB PRO 13 6.472 5.504 -5.451 84 HB3 PRO 13 2HB PRO 13 4.915 4.768 -5.941 85 HG2 PRO 13 1HG PRO 13 5.830 5.474 -3.128 86 HG3 PRO 13 2HG PRO 13 4.288 5.924 -3.931 87 HD2 PRO 13 1HD PRO 13 4.500 3.751 -2.290 88 HD3 PRO 13 2HD PRO 13 3.436 3.740 -3.726 89 H THR 14 H THR 14 7.142 2.757 -2.581 90 HA THR 14 HA THR 14 9.747 4.053 -2.841 91 HB THR 14 HB THR 14 8.604 2.321 -0.628 92 HG1 THR 14 1HG THR 14 7.527 4.257 -0.886 93 HG21 THR 14 3HG2 THR 14 11.030 2.307 -0.399 94 HG22 THR 14 1HG2 THR 14 10.357 3.435 0.779 95 HG23 THR 14 2HG2 THR 14 11.109 4.062 -0.703 96 H ASP 15 H ASP 15 11.663 3.203 -3.425 97 HA ASP 15 HA ASP 15 11.710 0.792 -4.885 98 HB2 ASP 15 1HB ASP 15 13.098 2.793 -5.306 99 HB3 ASP 15 2HB ASP 15 14.017 2.473 -3.834 100 H GLY 16 H GLY 16 12.764 1.364 -1.548 101 HA2 GLY 16 1HA GLY 16 13.965 -1.287 -1.188 102 HA3 GLY 16 2HA GLY 16 13.709 -0.049 0.042 103 H CYS 17 H CYS 17 10.760 -0.494 -1.488 104 HA CYS 17 HA CYS 17 9.724 -2.086 0.795 105 HB2 CYS 17 1HB CYS 17 9.135 0.334 0.306 106 HB3 CYS 17 2HB CYS 17 8.218 -0.269 -1.083 107 H ASP 18 H ASP 18 7.745 -3.270 0.351 108 HA ASP 18 HA ASP 18 7.592 -4.730 -2.239 109 HB2 ASP 18 1HB ASP 18 9.240 -5.879 -0.698 110 HB3 ASP 18 2HB ASP 18 7.920 -6.146 0.436 111 H TYR 19 H TYR 19 5.921 -2.976 -0.123 112 HA TYR 19 HA TYR 19 3.705 -4.660 0.612 113 HB2 TYR 19 1HB TYR 19 4.419 -2.832 1.989 114 HB3 TYR 19 2HB TYR 19 4.199 -1.682 0.686 115 HD1 TYR 19 2HD TYR 19 2.494 -3.768 3.224 116 HD2 TYR 19 1HD TYR 19 1.954 -0.836 0.099 117 HE1 TYR 19 2HE TYR 19 0.190 -3.306 4.049 118 HE2 TYR 19 1HE TYR 19 -0.330 -0.366 0.942 119 HH TYR 19 HH TYR 19 -1.709 -2.061 3.784 120 H SER 20 H SER 20 1.654 -4.797 -0.106 121 HA SER 20 HA SER 20 0.648 -3.102 -2.253 122 HB2 SER 20 1HB SER 20 -0.219 -5.027 -3.580 123 HB3 SER 20 2HB SER 20 1.548 -4.874 -3.613 124 HG SER 20 HG SER 20 1.693 -6.558 -2.120 125 H THR 21 H THR 21 -1.631 -3.113 -2.481 126 HA THR 21 HA THR 21 -3.326 -4.604 -0.612 127 HB THR 21 HB THR 21 -2.520 -2.931 0.907 128 HG1 THR 21 1HG THR 21 -4.420 -2.309 1.598 129 HG21 THR 21 3HG2 THR 21 -1.846 -1.140 -0.720 130 HG22 THR 21 1HG2 THR 21 -2.847 -0.546 0.612 131 HG23 THR 21 2HG2 THR 21 -3.564 -0.783 -0.994 132 HA PRO 22 HA PRO 22 -6.160 -3.491 -3.911 133 HB2 PRO 22 1HB PRO 22 -8.562 -4.309 -2.931 134 HB3 PRO 22 2HB PRO 22 -7.260 -5.453 -3.379 135 HG2 PRO 22 1HG PRO 22 -7.906 -4.365 -0.616 136 HG3 PRO 22 2HG PRO 22 -7.682 -6.078 -1.102 137 HD2 PRO 22 1HD PRO 22 -5.668 -4.620 -0.007 138 HD3 PRO 22 2HD PRO 22 -5.343 -5.811 -1.291 139 H ASP 23 H ASP 23 -6.135 -1.820 -0.880 140 HA ASP 23 HA ASP 23 -8.253 0.086 -1.810 141 HB2 ASP 23 1HB ASP 23 -8.440 -1.242 0.452 142 HB3 ASP 23 2HB ASP 23 -7.262 -0.100 1.011 143 H LYS 24 H LYS 24 -7.658 2.010 -2.485 144 HA LYS 24 HA LYS 24 -5.086 3.187 -2.356 145 HB2 LYS 24 1HB LYS 24 -6.040 5.154 -3.208 146 HB3 LYS 24 2HB LYS 24 -6.890 3.826 -3.969 147 HG2 LYS 24 1HG LYS 24 -7.978 5.459 -1.629 148 HG3 LYS 24 2HG LYS 24 -8.279 5.842 -3.308 149 HD2 LYS 24 1HD LYS 24 -9.693 4.009 -3.668 150 HD3 LYS 24 2HD LYS 24 -9.033 3.095 -2.326 151 HE2 LYS 24 1HE LYS 24 -9.958 5.166 -0.907 152 HE3 LYS 24 2HE LYS 24 -11.081 5.271 -2.269 153 HZ1 LYS 24 3HZ LYS 24 -11.644 2.916 -1.840 154 HZ2 LYS 24 1HZ LYS 24 -11.875 3.791 -0.474 155 HZ3 LYS 24 2HZ LYS 24 -10.542 2.847 -0.619 156 H TYR 25 H TYR 25 -7.712 3.375 0.055 157 HA TYR 25 HA TYR 25 -6.411 5.495 1.588 158 HB2 TYR 25 1HB TYR 25 -8.499 3.448 2.413 159 HB3 TYR 25 2HB TYR 25 -8.002 4.831 3.371 160 HD1 TYR 25 1HD TYR 25 -7.934 6.897 0.978 161 HD2 TYR 25 2HD TYR 25 -10.815 4.002 2.392 162 HE1 TYR 25 1HE TYR 25 -9.771 8.282 0.067 163 HE2 TYR 25 2HE TYR 25 -12.662 5.423 1.499 164 HH TYR 25 HH TYR 25 -12.036 8.515 -0.203 165 H LYS 26 H LYS 26 -6.333 1.940 1.729 166 HA LYS 26 HA LYS 26 -4.750 1.669 4.125 167 HB2 LYS 26 1HB LYS 26 -5.252 -0.133 1.771 168 HB3 LYS 26 2HB LYS 26 -4.262 -0.586 3.133 169 HG2 LYS 26 1HG LYS 26 -6.728 -1.291 3.089 170 HG3 LYS 26 2HG LYS 26 -5.982 -0.813 4.578 171 HD2 LYS 26 1HD LYS 26 -7.101 1.331 4.575 172 HD3 LYS 26 2HD LYS 26 -7.842 1.006 3.009 173 HE2 LYS 26 1HE LYS 26 -8.298 -0.714 5.481 174 HE3 LYS 26 2HE LYS 26 -9.295 0.682 5.062 175 HZ1 LYS 26 3HZ LYS 26 -9.818 -0.402 2.931 176 HZ2 LYS 26 1HZ LYS 26 -10.316 -1.303 4.204 177 HZ3 LYS 26 2HZ LYS 26 -8.977 -1.740 3.379 178 H LEU 27 H LEU 27 -3.949 1.912 0.643 179 HA LEU 27 HA LEU 27 -1.123 1.731 0.949 180 HB2 LEU 27 1HB LEU 27 -2.321 1.449 -1.199 181 HB3 LEU 27 2HB LEU 27 -2.753 3.160 -1.175 182 HG LEU 27 HG LEU 27 -0.386 3.806 -1.372 183 HD11 LEU 27 1HD1 LEU 27 0.754 1.965 -0.217 184 HD12 LEU 27 2HD1 LEU 27 1.333 2.085 -1.873 185 HD13 LEU 27 3HD1 LEU 27 0.179 0.805 -1.445 186 HD21 LEU 27 3HD2 LEU 27 -1.723 3.356 -3.416 187 HD22 LEU 27 1HD2 LEU 27 -1.143 1.675 -3.401 188 HD23 LEU 27 2HD2 LEU 27 -0.000 3.010 -3.650 189 H GLN 28 H GLN 28 -3.206 4.707 0.790 190 HA GLN 28 HA GLN 28 -1.113 6.589 1.226 191 HB2 GLN 28 1HB GLN 28 -4.061 6.577 1.990 192 HB3 GLN 28 2HB GLN 28 -3.031 7.972 2.274 193 HG2 GLN 28 1HG GLN 28 -3.395 6.721 -0.485 194 HG3 GLN 28 2HG GLN 28 -4.419 7.993 0.164 195 HE21 GLN 28 2HE2 GLN 28 -3.244 8.639 -2.163 196 HE22 GLN 28 1HE2 GLN 28 -1.880 9.716 -1.896 197 H ALA 29 H ALA 29 -3.103 4.848 3.655 198 HA ALA 29 HA ALA 29 -1.789 5.878 5.963 199 HB1 ALA 29 1HB ALA 29 -3.953 4.697 5.990 200 HB2 ALA 29 2HB ALA 29 -3.141 3.180 5.545 201 HB3 ALA 29 3HB ALA 29 -2.794 3.950 7.106 202 H HIS 30 H HIS 30 -0.734 3.299 3.739 203 HA HIS 30 HA HIS 30 1.529 2.499 5.445 204 HB2 HIS 30 1HB HIS 30 0.502 0.836 4.043 205 HB3 HIS 30 2HB HIS 30 0.705 1.822 2.599 206 HD1 HIS 30 1HD HIS 30 2.837 -0.279 5.019 207 HD2 HIS 30 2HD HIS 30 3.060 1.867 1.415 208 HE1 HIS 30 1HE HIS 30 5.132 -0.784 4.060 209 H LEU 31 H LEU 31 1.114 4.757 2.641 210 HA LEU 31 HA LEU 31 3.883 5.232 2.202 211 HB2 LEU 31 1HB LEU 31 1.622 7.249 2.012 212 HB3 LEU 31 2HB LEU 31 3.226 7.444 1.333 213 HG LEU 31 HG LEU 31 1.077 5.517 0.420 214 HD11 LEU 31 1HD1 LEU 31 0.887 7.853 -0.323 215 HD12 LEU 31 2HD1 LEU 31 1.229 6.748 -1.665 216 HD13 LEU 31 3HD1 LEU 31 2.529 7.764 -1.002 217 HD21 LEU 31 3HD2 LEU 31 3.194 4.294 0.233 218 HD22 LEU 31 1HD2 LEU 31 3.945 5.694 -0.572 219 HD23 LEU 31 2HD2 LEU 31 2.620 4.797 -1.353 220 H LYS 32 H LYS 32 1.802 6.532 4.743 221 HA LYS 32 HA LYS 32 3.528 8.455 5.917 222 HB2 LYS 32 1HB LYS 32 1.530 6.563 7.219 223 HB3 LYS 32 2HB LYS 32 2.287 7.939 8.027 224 HG2 LYS 32 1HG LYS 32 1.292 9.501 6.416 225 HG3 LYS 32 2HG LYS 32 0.537 8.158 5.540 226 HD2 LYS 32 1HD LYS 32 -0.716 7.528 7.600 227 HD3 LYS 32 2HD LYS 32 -0.037 8.925 8.441 228 HE2 LYS 32 1HE LYS 32 -1.730 9.056 5.897 229 HE3 LYS 32 2HE LYS 32 -2.373 9.238 7.533 230 HZ1 LYS 32 3HZ LYS 32 -1.941 11.396 6.549 231 HZ2 LYS 32 1HZ LYS 32 -0.371 11.048 6.290 232 HZ3 LYS 32 2HZ LYS 32 -0.940 11.190 7.818 233 H VAL 33 H VAL 33 3.808 4.951 6.000 234 HA VAL 33 HA VAL 33 5.588 4.808 8.264 235 HB VAL 33 HB VAL 33 4.132 2.981 6.874 236 HG11 VAL 33 1HG1 VAL 33 6.995 2.275 6.097 237 HG12 VAL 33 2HG1 VAL 33 5.523 1.340 5.804 238 HG13 VAL 33 3HG1 VAL 33 5.769 2.872 4.960 239 HG21 VAL 33 3HG2 VAL 33 5.183 1.275 8.210 240 HG22 VAL 33 1HG2 VAL 33 6.556 2.360 8.566 241 HG23 VAL 33 2HG2 VAL 33 4.915 2.752 9.148 242 H HIS 34 H HIS 34 6.074 5.674 4.948 243 HA HIS 34 HA HIS 34 9.029 5.414 5.119 244 HB2 HIS 34 1HB HIS 34 7.210 6.181 2.805 245 HB3 HIS 34 2HB HIS 34 8.955 5.968 2.724 246 HD1 HIS 34 1HD HIS 34 9.703 3.296 3.650 247 HD2 HIS 34 2HD HIS 34 5.902 4.083 2.028 248 HE1 HIS 34 1HE HIS 34 8.808 1.048 2.879 249 H THR 35 H THR 35 6.504 7.956 5.031 250 HA THR 35 HA THR 35 8.494 10.093 4.740 251 HB THR 35 HB THR 35 6.611 11.629 4.993 252 HG1 THR 35 1HG THR 35 4.548 10.810 5.185 253 HG21 THR 35 3HG2 THR 35 5.960 9.362 3.057 254 HG22 THR 35 1HG2 THR 35 7.130 10.666 2.755 255 HG23 THR 35 2HG2 THR 35 5.411 11.048 2.952 256 H ALA 36 H ALA 36 6.771 8.611 7.480 257 HA ALA 36 HA ALA 36 7.783 10.555 9.406 258 HB1 ALA 36 1HB ALA 36 6.878 9.004 11.071 259 HB2 ALA 36 2HB ALA 36 5.693 9.296 9.783 260 HB3 ALA 36 3HB ALA 36 6.614 7.774 9.817 261 H LEU 37 H LEU 37 9.517 10.381 10.768 262 HA LEU 37 HA LEU 37 11.564 8.264 10.207 263 HB2 LEU 37 1HB LEU 37 11.951 11.224 10.772 264 HB3 LEU 37 2HB LEU 37 13.249 10.055 10.564 265 HG LEU 37 HG LEU 37 11.246 10.826 8.398 266 HD11 LEU 37 1HD1 LEU 37 14.186 11.537 8.749 267 HD12 LEU 37 2HD1 LEU 37 12.810 12.640 8.974 268 HD13 LEU 37 3HD1 LEU 37 13.153 11.975 7.368 269 HD21 LEU 37 3HD2 LEU 37 12.804 9.635 6.873 270 HD22 LEU 37 1HD2 LEU 37 12.075 8.533 8.041 271 HD23 LEU 37 2HD2 LEU 37 13.750 9.082 8.275 272 H ASP 38 H ASP 38 9.496 9.049 12.572 273 HA ASP 38 HA ASP 38 11.201 7.979 14.738 274 HB2 ASP 38 1HB ASP 38 11.441 10.423 14.922 275 HB3 ASP 38 2HB ASP 38 9.692 10.613 14.949 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -10.395 -21.419 -17.361 2 H2 GLY 1 2H GLY 1 -9.174 -22.136 -16.536 3 H3 GLY 1 3H GLY 1 -8.859 -20.891 -17.556 4 HA2 GLY 1 1HA GLY 1 -10.415 -20.714 -15.056 5 HA3 GLY 1 2HA GLY 1 -8.756 -20.129 -15.278 6 H SER 2 H SER 2 -9.618 -18.054 -14.571 7 HA SER 2 HA SER 2 -10.495 -16.379 -16.840 8 HB2 SER 2 1HB SER 2 -12.610 -17.059 -15.767 9 HB3 SER 2 2HB SER 2 -12.018 -16.466 -14.204 10 HG SER 2 HG SER 2 -13.382 -14.977 -15.425 11 H SER 3 H SER 3 -9.974 -14.201 -16.617 12 HA SER 3 HA SER 3 -7.955 -13.452 -14.594 13 HB2 SER 3 1HB SER 3 -7.745 -11.406 -15.971 14 HB3 SER 3 2HB SER 3 -7.482 -12.894 -16.894 15 HG SER 3 HG SER 3 -8.858 -11.407 -17.996 16 H GLY 4 H GLY 4 -11.343 -13.337 -14.788 17 HA2 GLY 4 1HA GLY 4 -11.949 -10.762 -13.716 18 HA3 GLY 4 2HA GLY 4 -12.984 -12.184 -13.646 19 H SER 5 H SER 5 -12.247 -9.994 -11.683 20 HA SER 5 HA SER 5 -12.057 -11.645 -9.265 21 HB2 SER 5 1HB SER 5 -9.667 -11.211 -9.943 22 HB3 SER 5 2HB SER 5 -9.986 -9.473 -9.795 23 HG SER 5 HG SER 5 -9.081 -10.370 -7.880 24 H SER 6 H SER 6 -12.376 -10.308 -7.295 25 HA SER 6 HA SER 6 -14.493 -8.356 -7.569 26 HB2 SER 6 1HB SER 6 -12.823 -9.090 -5.134 27 HB3 SER 6 2HB SER 6 -14.368 -8.216 -5.128 28 HG SER 6 HG SER 6 -14.636 -10.460 -4.694 29 H GLY 7 H GLY 7 -11.059 -8.002 -7.646 30 HA2 GLY 7 1HA GLY 7 -11.143 -5.211 -8.194 31 HA3 GLY 7 2HA GLY 7 -10.620 -5.442 -6.522 32 H ILE 8 H ILE 8 -8.793 -4.247 -7.797 33 HA ILE 8 HA ILE 8 -6.680 -6.247 -8.434 34 HB ILE 8 HB ILE 8 -5.670 -4.719 -10.041 35 HG12 ILE 8 1HG1 ILE 8 -8.276 -3.129 -9.942 36 HG13 ILE 8 2HG1 ILE 8 -6.734 -2.593 -9.266 37 HG21 ILE 8 1HG2 ILE 8 -7.072 -5.359 -11.904 38 HG22 ILE 8 2HG2 ILE 8 -7.142 -6.641 -10.696 39 HG23 ILE 8 3HG2 ILE 8 -8.498 -5.504 -10.855 40 HD11 ILE 8 3HD1 ILE 8 -7.022 -1.543 -11.405 41 HD12 ILE 8 1HD1 ILE 8 -5.710 -2.734 -11.543 42 HD13 ILE 8 2HD1 ILE 8 -7.324 -3.095 -12.204 43 H LEU 9 H LEU 9 -4.569 -5.717 -7.790 44 HA LEU 9 HA LEU 9 -4.566 -4.089 -5.349 45 HB2 LEU 9 1HB LEU 9 -2.691 -6.168 -6.493 46 HB3 LEU 9 2HB LEU 9 -2.188 -5.087 -5.201 47 HG LEU 9 HG LEU 9 -4.102 -5.831 -3.804 48 HD11 LEU 9 1HD1 LEU 9 -4.472 -7.936 -5.971 49 HD12 LEU 9 2HD1 LEU 9 -5.673 -6.734 -5.430 50 HD13 LEU 9 3HD1 LEU 9 -5.170 -8.021 -4.339 51 HD21 LEU 9 3HD2 LEU 9 -1.860 -6.772 -3.520 52 HD22 LEU 9 1HD2 LEU 9 -2.206 -8.017 -4.741 53 HD23 LEU 9 2HD2 LEU 9 -3.093 -7.995 -3.200 54 H LEU 10 H LEU 10 -3.432 -2.407 -4.873 55 HA LEU 10 HA LEU 10 -1.872 -0.881 -6.889 56 HB2 LEU 10 1HB LEU 10 -2.760 -0.115 -4.081 57 HB3 LEU 10 2HB LEU 10 -2.098 0.957 -5.315 58 HG LEU 10 HG LEU 10 -4.816 -0.434 -5.473 59 HD11 LEU 10 1HD1 LEU 10 -5.733 1.791 -5.033 60 HD12 LEU 10 2HD1 LEU 10 -4.091 2.450 -4.835 61 HD13 LEU 10 3HD1 LEU 10 -4.719 1.237 -3.692 62 HD21 LEU 10 3HD2 LEU 10 -3.893 0.059 -7.713 63 HD22 LEU 10 1HD2 LEU 10 -3.569 1.739 -7.217 64 HD23 LEU 10 2HD2 LEU 10 -5.239 1.141 -7.329 65 H LYS 11 H LYS 11 0.280 -0.153 -6.258 66 HA LYS 11 HA LYS 11 1.644 -1.872 -4.205 67 HB2 LYS 11 1HB LYS 11 2.650 -1.093 -6.968 68 HB3 LYS 11 2HB LYS 11 3.600 -1.903 -5.719 69 HG2 LYS 11 1HG LYS 11 2.013 -3.826 -5.750 70 HG3 LYS 11 2HG LYS 11 1.069 -3.021 -7.008 71 HD2 LYS 11 1HD LYS 11 2.453 -4.678 -8.047 72 HD3 LYS 11 2HD LYS 11 3.042 -3.080 -8.524 73 HE2 LYS 11 1HE LYS 11 4.859 -3.244 -6.833 74 HE3 LYS 11 2HE LYS 11 4.238 -4.815 -6.310 75 HZ1 LYS 11 3HZ LYS 11 4.719 -5.670 -8.544 76 HZ2 LYS 11 1HZ LYS 11 6.077 -5.062 -7.877 77 HZ3 LYS 11 2HZ LYS 11 5.289 -4.216 -9.027 78 H CYS 12 H CYS 12 3.301 -1.049 -3.044 79 HA CYS 12 HA CYS 12 3.460 1.785 -2.601 80 HB2 CYS 12 1HB CYS 12 3.763 0.008 -0.913 81 HB3 CYS 12 2HB CYS 12 5.271 -0.477 -1.713 82 HA PRO 13 HA PRO 13 6.526 2.422 -5.883 83 HB2 PRO 13 1HB PRO 13 6.756 5.113 -5.810 84 HB3 PRO 13 2HB PRO 13 5.206 4.328 -6.244 85 HG2 PRO 13 1HG PRO 13 6.046 5.397 -3.522 86 HG3 PRO 13 2HG PRO 13 4.532 5.743 -4.423 87 HD2 PRO 13 1HD PRO 13 4.725 3.784 -2.496 88 HD3 PRO 13 2HD PRO 13 3.639 3.638 -3.914 89 H THR 14 H THR 14 7.203 2.680 -2.563 90 HA THR 14 HA THR 14 9.644 4.216 -2.675 91 HB THR 14 HB THR 14 8.715 2.421 -0.410 92 HG1 THR 14 1HG THR 14 7.083 3.807 -0.746 93 HG21 THR 14 3HG2 THR 14 9.901 4.117 0.984 94 HG22 THR 14 1HG2 THR 14 10.498 4.898 -0.493 95 HG23 THR 14 2HG2 THR 14 11.002 3.241 -0.076 96 H ASP 15 H ASP 15 11.779 3.620 -2.697 97 HA ASP 15 HA ASP 15 12.538 1.106 -3.805 98 HB2 ASP 15 1HB ASP 15 13.810 3.174 -4.127 99 HB3 ASP 15 2HB ASP 15 14.196 3.233 -2.404 100 H GLY 16 H GLY 16 13.228 -0.780 -2.949 101 HA2 GLY 16 1HA GLY 16 13.815 -2.406 -1.419 102 HA3 GLY 16 2HA GLY 16 14.009 -1.170 -0.175 103 H CYS 17 H CYS 17 10.944 -0.608 -1.235 104 HA CYS 17 HA CYS 17 9.649 -2.324 0.807 105 HB2 CYS 17 1HB CYS 17 9.411 0.179 0.741 106 HB3 CYS 17 2HB CYS 17 8.481 -0.018 -0.754 107 H ASP 18 H ASP 18 7.810 -3.513 0.328 108 HA ASP 18 HA ASP 18 7.447 -4.463 -2.483 109 HB2 ASP 18 1HB ASP 18 9.176 -5.810 -1.222 110 HB3 ASP 18 2HB ASP 18 7.910 -6.281 -0.092 111 H TYR 19 H TYR 19 5.859 -3.007 -0.184 112 HA TYR 19 HA TYR 19 3.639 -4.704 0.481 113 HB2 TYR 19 1HB TYR 19 4.357 -2.906 1.906 114 HB3 TYR 19 2HB TYR 19 4.137 -1.726 0.635 115 HD1 TYR 19 2HD TYR 19 2.440 -3.861 3.135 116 HD2 TYR 19 1HD TYR 19 1.877 -0.887 0.057 117 HE1 TYR 19 2HE TYR 19 0.133 -3.433 3.965 118 HE2 TYR 19 1HE TYR 19 -0.412 -0.440 0.915 119 HH TYR 19 HH TYR 19 -1.780 -2.209 3.714 120 H SER 20 H SER 20 1.614 -4.885 -0.307 121 HA SER 20 HA SER 20 0.609 -3.104 -2.398 122 HB2 SER 20 1HB SER 20 -0.115 -4.966 -3.859 123 HB3 SER 20 2HB SER 20 1.649 -4.836 -3.736 124 HG SER 20 HG SER 20 0.996 -7.001 -3.530 125 H THR 21 H THR 21 -1.653 -3.098 -2.649 126 HA THR 21 HA THR 21 -3.385 -4.728 -0.941 127 HB THR 21 HB THR 21 -2.614 -3.180 0.732 128 HG1 THR 21 1HG THR 21 -4.546 -2.484 1.397 129 HG21 THR 21 3HG2 THR 21 -2.972 -0.776 0.635 130 HG22 THR 21 1HG2 THR 21 -3.650 -0.890 -0.998 131 HG23 THR 21 2HG2 THR 21 -1.935 -1.250 -0.720 132 HA PRO 22 HA PRO 22 -6.196 -3.215 -4.158 133 HB2 PRO 22 1HB PRO 22 -8.571 -4.236 -3.347 134 HB3 PRO 22 2HB PRO 22 -7.240 -5.282 -3.926 135 HG2 PRO 22 1HG PRO 22 -7.963 -4.613 -1.053 136 HG3 PRO 22 2HG PRO 22 -7.670 -6.231 -1.769 137 HD2 PRO 22 1HD PRO 22 -5.742 -4.830 -0.426 138 HD3 PRO 22 2HD PRO 22 -5.340 -5.891 -1.798 139 H ASP 23 H ASP 23 -6.161 -2.128 -0.910 140 HA ASP 23 HA ASP 23 -8.405 -0.195 -1.271 141 HB2 ASP 23 1HB ASP 23 -6.927 -1.360 1.077 142 HB3 ASP 23 2HB ASP 23 -7.900 0.083 1.271 143 H LYS 24 H LYS 24 -7.825 1.710 -2.123 144 HA LYS 24 HA LYS 24 -5.237 2.855 -2.107 145 HB2 LYS 24 1HB LYS 24 -6.259 4.863 -2.942 146 HB3 LYS 24 2HB LYS 24 -7.016 3.460 -3.687 147 HG2 LYS 24 1HG LYS 24 -8.952 3.703 -2.083 148 HG3 LYS 24 2HG LYS 24 -8.190 5.176 -1.448 149 HD2 LYS 24 1HD LYS 24 -8.276 6.196 -3.703 150 HD3 LYS 24 2HD LYS 24 -9.062 4.728 -4.332 151 HE2 LYS 24 1HE LYS 24 -10.931 5.064 -2.713 152 HE3 LYS 24 2HE LYS 24 -10.143 6.534 -2.127 153 HZ1 LYS 24 3HZ LYS 24 -11.849 7.050 -3.763 154 HZ2 LYS 24 1HZ LYS 24 -11.131 6.123 -4.900 155 HZ3 LYS 24 2HZ LYS 24 -10.393 7.481 -4.360 156 H TYR 25 H TYR 25 -7.808 3.280 0.290 157 HA TYR 25 HA TYR 25 -6.470 5.355 1.776 158 HB2 TYR 25 1HB TYR 25 -8.596 3.374 2.669 159 HB3 TYR 25 2HB TYR 25 -8.145 4.858 3.500 160 HD1 TYR 25 2HD TYR 25 -8.359 7.096 2.155 161 HD2 TYR 25 1HD TYR 25 -10.345 3.426 1.045 162 HE1 TYR 25 2HE TYR 25 -10.034 8.396 0.856 163 HE2 TYR 25 1HE TYR 25 -12.022 4.733 -0.252 164 HH TYR 25 HH TYR 25 -11.920 8.310 -0.447 165 H LYS 26 H LYS 26 -6.285 1.813 1.909 166 HA LYS 26 HA LYS 26 -4.639 1.736 4.341 167 HB2 LYS 26 1HB LYS 26 -5.212 -0.355 2.207 168 HB3 LYS 26 2HB LYS 26 -4.265 -0.639 3.659 169 HG2 LYS 26 1HG LYS 26 -6.226 0.004 5.075 170 HG3 LYS 26 2HG LYS 26 -7.192 0.188 3.602 171 HD2 LYS 26 1HD LYS 26 -6.622 -2.237 3.053 172 HD3 LYS 26 2HD LYS 26 -5.918 -2.375 4.665 173 HE2 LYS 26 1HE LYS 26 -7.999 -2.089 5.746 174 HE3 LYS 26 2HE LYS 26 -8.722 -1.283 4.347 175 HZ1 LYS 26 3HZ LYS 26 -8.021 -4.162 4.383 176 HZ2 LYS 26 1HZ LYS 26 -8.755 -3.343 3.155 177 HZ3 LYS 26 2HZ LYS 26 -9.532 -3.565 4.578 178 H LEU 27 H LEU 27 -4.003 1.771 0.810 179 HA LEU 27 HA LEU 27 -1.157 1.662 1.081 180 HB2 LEU 27 1HB LEU 27 -2.343 1.305 -1.058 181 HB3 LEU 27 2HB LEU 27 -2.833 2.997 -1.069 182 HG LEU 27 HG LEU 27 -0.500 3.730 -1.282 183 HD11 LEU 27 1HD1 LEU 27 0.205 0.758 -1.289 184 HD12 LEU 27 2HD1 LEU 27 0.720 1.965 -0.080 185 HD13 LEU 27 3HD1 LEU 27 1.305 2.080 -1.737 186 HD21 LEU 27 3HD2 LEU 27 -1.823 3.151 -3.307 187 HD22 LEU 27 1HD2 LEU 27 -1.141 1.508 -3.247 188 HD23 LEU 27 2HD2 LEU 27 -0.081 2.903 -3.535 189 H GLN 28 H GLN 28 -3.349 4.544 0.966 190 HA GLN 28 HA GLN 28 -1.391 6.552 1.347 191 HB2 GLN 28 1HB GLN 28 -4.274 6.284 2.289 192 HB3 GLN 28 2HB GLN 28 -3.316 7.740 2.597 193 HG2 GLN 28 1HG GLN 28 -2.929 8.089 0.269 194 HG3 GLN 28 2HG GLN 28 -3.723 6.596 -0.197 195 HE21 GLN 28 1HE2 GLN 28 -4.762 8.596 -1.543 196 HE22 GLN 28 2HE2 GLN 28 -6.271 9.159 -0.839 197 H ALA 29 H ALA 29 -3.110 4.700 3.844 198 HA ALA 29 HA ALA 29 -1.682 5.711 6.088 199 HB1 ALA 29 1HB ALA 29 -3.851 4.542 6.212 200 HB2 ALA 29 2HB ALA 29 -3.062 3.019 5.744 201 HB3 ALA 29 3HB ALA 29 -2.651 3.797 7.284 202 H HIS 30 H HIS 30 -0.590 3.387 3.721 203 HA HIS 30 HA HIS 30 1.736 2.515 5.373 204 HB2 HIS 30 1HB HIS 30 0.552 0.818 4.111 205 HB3 HIS 30 2HB HIS 30 0.706 1.745 2.618 206 HD1 HIS 30 1HD HIS 30 2.901 -0.296 5.035 207 HD2 HIS 30 2HD HIS 30 3.024 1.720 1.348 208 HE1 HIS 30 1HE HIS 30 5.171 -0.828 4.035 209 H LEU 31 H LEU 31 1.061 4.692 2.570 210 HA LEU 31 HA LEU 31 3.795 5.144 1.886 211 HB2 LEU 31 1HB LEU 31 1.364 6.936 1.680 212 HB3 LEU 31 2HB LEU 31 2.922 7.352 0.980 213 HG LEU 31 HG LEU 31 1.324 4.879 0.193 214 HD11 LEU 31 1HD1 LEU 31 1.642 7.542 -1.238 215 HD12 LEU 31 2HD1 LEU 31 0.164 6.968 -0.436 216 HD13 LEU 31 3HD1 LEU 31 0.783 6.110 -1.853 217 HD21 LEU 31 3HD2 LEU 31 2.811 4.842 -1.758 218 HD22 LEU 31 1HD2 LEU 31 3.700 4.570 -0.259 219 HD23 LEU 31 2HD2 LEU 31 3.777 6.161 -1.057 220 H LYS 32 H LYS 32 1.808 6.719 4.408 221 HA LYS 32 HA LYS 32 3.739 8.665 5.189 222 HB2 LYS 32 1HB LYS 32 2.538 8.825 7.300 223 HB3 LYS 32 2HB LYS 32 1.459 8.879 5.908 224 HG2 LYS 32 1HG LYS 32 0.623 6.690 6.317 225 HG3 LYS 32 2HG LYS 32 1.925 6.305 7.461 226 HD2 LYS 32 1HD LYS 32 1.071 7.937 9.068 227 HD3 LYS 32 2HD LYS 32 -0.153 8.484 7.922 228 HE2 LYS 32 1HE LYS 32 -1.100 7.044 9.669 229 HE3 LYS 32 2HE LYS 32 -1.348 6.384 8.056 230 HZ1 LYS 32 3HZ LYS 32 0.393 4.795 8.435 231 HZ2 LYS 32 1HZ LYS 32 -0.607 4.718 9.720 232 HZ3 LYS 32 2HZ LYS 32 0.826 5.481 9.874 233 H VAL 33 H VAL 33 3.789 5.249 5.831 234 HA VAL 33 HA VAL 33 5.524 5.140 8.095 235 HB VAL 33 HB VAL 33 5.308 3.233 5.731 236 HG11 VAL 33 1HG1 VAL 33 6.152 2.685 8.572 237 HG12 VAL 33 2HG1 VAL 33 5.846 1.473 7.296 238 HG13 VAL 33 3HG1 VAL 33 7.181 2.623 7.114 239 HG21 VAL 33 3HG2 VAL 33 3.749 3.165 8.362 240 HG22 VAL 33 1HG2 VAL 33 3.050 3.663 6.813 241 HG23 VAL 33 2HG2 VAL 33 3.624 2.010 7.012 242 H HIS 34 H HIS 34 6.114 5.852 4.698 243 HA HIS 34 HA HIS 34 9.046 5.621 4.973 244 HB2 HIS 34 1HB HIS 34 7.296 6.241 2.569 245 HB3 HIS 34 2HB HIS 34 9.025 5.907 2.545 246 HD1 HIS 34 1HD HIS 34 9.489 3.299 3.915 247 HD2 HIS 34 2HD HIS 34 5.916 4.157 1.858 248 HE1 HIS 34 1HE HIS 34 8.462 1.047 3.342 249 H THR 35 H THR 35 6.749 8.134 5.390 250 HA THR 35 HA THR 35 8.793 10.240 4.763 251 HB THR 35 HB THR 35 6.955 11.772 4.356 252 HG1 THR 35 1HG THR 35 4.862 10.998 4.256 253 HG21 THR 35 3HG2 THR 35 6.574 9.233 2.710 254 HG22 THR 35 1HG2 THR 35 7.867 10.427 2.453 255 HG23 THR 35 2HG2 THR 35 6.172 10.897 2.235 256 H ALA 36 H ALA 36 6.699 9.020 7.322 257 HA ALA 36 HA ALA 36 6.858 11.323 9.017 258 HB1 ALA 36 1HB ALA 36 5.169 9.561 9.277 259 HB2 ALA 36 2HB ALA 36 6.437 8.385 9.694 260 HB3 ALA 36 3HB ALA 36 6.108 9.760 10.769 261 H LEU 37 H LEU 37 8.124 11.726 10.866 262 HA LEU 37 HA LEU 37 10.468 10.192 11.516 263 HB2 LEU 37 1HB LEU 37 12.131 11.755 11.002 264 HB3 LEU 37 2HB LEU 37 11.220 11.544 9.523 265 HG LEU 37 HG LEU 37 11.037 13.936 11.419 266 HD11 LEU 37 1HD1 LEU 37 12.276 13.656 8.652 267 HD12 LEU 37 2HD1 LEU 37 13.167 13.771 10.187 268 HD13 LEU 37 3HD1 LEU 37 12.198 15.142 9.627 269 HD21 LEU 37 3HD2 LEU 37 9.822 15.050 9.531 270 HD22 LEU 37 1HD2 LEU 37 8.898 13.745 10.266 271 HD23 LEU 37 2HD2 LEU 37 9.717 13.477 8.708 272 H ASP 38 H ASP 38 11.521 11.004 13.362 273 HA ASP 38 HA ASP 38 10.202 13.042 15.067 274 HB2 ASP 38 1HB ASP 38 9.076 10.925 15.614 275 HB3 ASP 38 2HB ASP 38 10.628 10.152 15.911 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 1.795 -16.034 -13.473 2 H2 GLY 1 2H GLY 1 1.638 -15.043 -12.178 3 H3 GLY 1 3H GLY 1 1.034 -14.592 -13.632 4 HA2 GLY 1 1HA GLY 1 -0.574 -16.386 -13.595 5 HA3 GLY 1 2HA GLY 1 0.071 -16.858 -12.011 6 H SER 2 H SER 2 -2.136 -16.585 -11.246 7 HA SER 2 HA SER 2 -2.645 -13.859 -10.230 8 HB2 SER 2 1HB SER 2 -3.916 -13.901 -12.326 9 HB3 SER 2 2HB SER 2 -4.702 -15.417 -11.846 10 HG SER 2 HG SER 2 -5.925 -13.441 -11.436 11 H SER 3 H SER 3 -3.843 -13.806 -8.352 12 HA SER 3 HA SER 3 -4.187 -16.299 -6.820 13 HB2 SER 3 1HB SER 3 -4.744 -13.410 -6.060 14 HB3 SER 3 2HB SER 3 -4.766 -14.804 -4.964 15 HG SER 3 HG SER 3 -2.763 -13.682 -4.894 16 H GLY 4 H GLY 4 -6.115 -14.778 -9.096 17 HA2 GLY 4 1HA GLY 4 -8.313 -15.159 -9.700 18 HA3 GLY 4 2HA GLY 4 -8.537 -16.186 -8.283 19 H SER 5 H SER 5 -7.341 -12.954 -7.762 20 HA SER 5 HA SER 5 -9.382 -12.229 -5.954 21 HB2 SER 5 1HB SER 5 -7.415 -10.410 -7.395 22 HB3 SER 5 2HB SER 5 -8.271 -10.057 -5.881 23 HG SER 5 HG SER 5 -6.152 -10.822 -5.488 24 H SER 6 H SER 6 -10.930 -10.536 -5.969 25 HA SER 6 HA SER 6 -12.528 -10.336 -8.366 26 HB2 SER 6 1HB SER 6 -13.986 -8.929 -6.922 27 HB3 SER 6 2HB SER 6 -13.571 -10.496 -6.207 28 HG SER 6 HG SER 6 -13.351 -8.756 -4.707 29 H GLY 7 H GLY 7 -9.884 -8.453 -7.306 30 HA2 GLY 7 1HA GLY 7 -10.091 -6.667 -9.581 31 HA3 GLY 7 2HA GLY 7 -10.278 -5.825 -8.038 32 H ILE 8 H ILE 8 -8.189 -5.089 -9.574 33 HA ILE 8 HA ILE 8 -5.767 -6.584 -8.932 34 HB ILE 8 HB ILE 8 -4.587 -4.896 -10.218 35 HG12 ILE 8 1HG1 ILE 8 -7.307 -3.620 -10.770 36 HG13 ILE 8 2HG1 ILE 8 -6.055 -2.933 -9.731 37 HG21 ILE 8 1HG2 ILE 8 -5.406 -5.629 -12.376 38 HG22 ILE 8 2HG2 ILE 8 -5.599 -6.952 -11.228 39 HG23 ILE 8 3HG2 ILE 8 -7.011 -5.988 -11.709 40 HD11 ILE 8 3HD1 ILE 8 -5.932 -1.854 -11.870 41 HD12 ILE 8 1HD1 ILE 8 -4.494 -2.878 -11.680 42 HD13 ILE 8 2HD1 ILE 8 -5.838 -3.401 -12.723 43 H LEU 9 H LEU 9 -4.069 -5.910 -7.775 44 HA LEU 9 HA LEU 9 -4.617 -4.131 -5.485 45 HB2 LEU 9 1HB LEU 9 -2.479 -6.198 -6.096 46 HB3 LEU 9 2HB LEU 9 -2.283 -5.015 -4.809 47 HG LEU 9 HG LEU 9 -4.380 -5.768 -3.756 48 HD11 LEU 9 1HD1 LEU 9 -5.264 -8.037 -4.317 49 HD12 LEU 9 2HD1 LEU 9 -4.291 -8.018 -5.803 50 HD13 LEU 9 3HD1 LEU 9 -5.608 -6.842 -5.561 51 HD21 LEU 9 3HD2 LEU 9 -2.204 -6.587 -2.994 52 HD22 LEU 9 1HD2 LEU 9 -2.274 -7.918 -4.172 53 HD23 LEU 9 2HD2 LEU 9 -3.433 -7.843 -2.824 54 H LEU 10 H LEU 10 -3.451 -2.422 -4.874 55 HA LEU 10 HA LEU 10 -1.749 -0.966 -6.823 56 HB2 LEU 10 1HB LEU 10 -2.661 -0.151 -4.038 57 HB3 LEU 10 2HB LEU 10 -1.977 0.886 -5.289 58 HG LEU 10 HG LEU 10 -4.729 -0.435 -5.399 59 HD11 LEU 10 1HD1 LEU 10 -5.579 1.831 -5.019 60 HD12 LEU 10 2HD1 LEU 10 -3.918 2.451 -4.872 61 HD13 LEU 10 3HD1 LEU 10 -4.557 1.301 -3.673 62 HD21 LEU 10 3HD2 LEU 10 -5.122 1.090 -7.308 63 HD22 LEU 10 1HD2 LEU 10 -3.811 -0.045 -7.661 64 HD23 LEU 10 2HD2 LEU 10 -3.432 1.639 -7.227 65 H LYS 11 H LYS 11 0.444 -0.367 -6.171 66 HA LYS 11 HA LYS 11 1.554 -1.848 -3.826 67 HB2 LYS 11 1HB LYS 11 2.900 -1.561 -6.539 68 HB3 LYS 11 2HB LYS 11 3.614 -2.216 -5.068 69 HG2 LYS 11 1HG LYS 11 1.409 -3.801 -5.204 70 HG3 LYS 11 2HG LYS 11 1.607 -3.450 -6.919 71 HD2 LYS 11 1HD LYS 11 3.675 -4.671 -5.033 72 HD3 LYS 11 2HD LYS 11 2.756 -5.529 -6.276 73 HE2 LYS 11 1HE LYS 11 3.867 -4.206 -8.045 74 HE3 LYS 11 2HE LYS 11 4.752 -3.284 -6.820 75 HZ1 LYS 11 3HZ LYS 11 5.025 -6.208 -7.252 76 HZ2 LYS 11 1HZ LYS 11 5.828 -5.353 -6.109 77 HZ3 LYS 11 2HZ LYS 11 6.118 -5.078 -7.694 78 H CYS 12 H CYS 12 3.284 -1.039 -2.790 79 HA CYS 12 HA CYS 12 3.497 1.801 -2.493 80 HB2 CYS 12 1HB CYS 12 3.734 0.094 -0.734 81 HB3 CYS 12 2HB CYS 12 5.237 -0.475 -1.493 82 HA PRO 13 HA PRO 13 6.606 2.268 -5.740 83 HB2 PRO 13 1HB PRO 13 6.858 4.951 -5.793 84 HB3 PRO 13 2HB PRO 13 5.293 4.165 -6.165 85 HG2 PRO 13 1HG PRO 13 6.187 5.357 -3.513 86 HG3 PRO 13 2HG PRO 13 4.660 5.664 -4.401 87 HD2 PRO 13 1HD PRO 13 4.899 3.795 -2.383 88 HD3 PRO 13 2HD PRO 13 3.761 3.605 -3.755 89 H THR 14 H THR 14 7.317 2.916 -2.407 90 HA THR 14 HA THR 14 9.802 4.291 -2.708 91 HB THR 14 HB THR 14 8.833 2.662 -0.335 92 HG1 THR 14 1HG THR 14 8.503 5.415 -0.962 93 HG21 THR 14 3HG2 THR 14 11.156 3.295 0.007 94 HG22 THR 14 1HG2 THR 14 10.138 4.355 0.981 95 HG23 THR 14 2HG2 THR 14 10.833 4.960 -0.538 96 H ASP 15 H ASP 15 11.945 3.660 -2.613 97 HA ASP 15 HA ASP 15 12.660 1.184 -3.789 98 HB2 ASP 15 1HB ASP 15 13.999 3.229 -3.968 99 HB3 ASP 15 2HB ASP 15 14.348 3.178 -2.237 100 H GLY 16 H GLY 16 13.298 -0.761 -3.040 101 HA2 GLY 16 1HA GLY 16 13.803 -2.492 -1.600 102 HA3 GLY 16 2HA GLY 16 13.999 -1.342 -0.279 103 H CYS 17 H CYS 17 10.966 -0.678 -1.432 104 HA CYS 17 HA CYS 17 9.593 -2.484 0.490 105 HB2 CYS 17 1HB CYS 17 9.546 0.058 0.667 106 HB3 CYS 17 2HB CYS 17 8.543 0.039 -0.798 107 H ASP 18 H ASP 18 7.786 -3.622 -0.108 108 HA ASP 18 HA ASP 18 6.871 -3.692 -2.906 109 HB2 ASP 18 1HB ASP 18 8.804 -5.314 -2.718 110 HB3 ASP 18 2HB ASP 18 7.840 -6.244 -1.570 111 H TYR 19 H TYR 19 5.790 -2.917 -0.247 112 HA TYR 19 HA TYR 19 3.689 -4.688 0.567 113 HB2 TYR 19 1HB TYR 19 4.397 -2.890 1.987 114 HB3 TYR 19 2HB TYR 19 4.128 -1.696 0.735 115 HD1 TYR 19 1HD TYR 19 1.843 -0.915 0.169 116 HD2 TYR 19 2HD TYR 19 2.522 -3.805 3.303 117 HE1 TYR 19 1HE TYR 19 -0.451 -0.521 1.034 118 HE2 TYR 19 2HE TYR 19 0.214 -3.420 4.151 119 HH TYR 19 HH TYR 19 -1.746 -2.268 3.882 120 H SER 20 H SER 20 1.572 -4.879 -0.061 121 HA SER 20 HA SER 20 0.519 -3.230 -2.260 122 HB2 SER 20 1HB SER 20 -0.227 -5.173 -3.547 123 HB3 SER 20 2HB SER 20 1.542 -5.129 -3.399 124 HG SER 20 HG SER 20 0.756 -7.230 -3.009 125 H THR 21 H THR 21 -1.696 -3.160 -2.495 126 HA THR 21 HA THR 21 -3.517 -4.645 -0.762 127 HB THR 21 HB THR 21 -2.768 -3.034 0.869 128 HG1 THR 21 1HG THR 21 -4.833 -3.253 1.215 129 HG21 THR 21 3HG2 THR 21 -3.628 -0.807 -1.023 130 HG22 THR 21 1HG2 THR 21 -1.944 -1.223 -0.653 131 HG23 THR 21 2HG2 THR 21 -3.010 -0.643 0.631 132 HA PRO 22 HA PRO 22 -6.157 -3.202 -4.147 133 HB2 PRO 22 1HB PRO 22 -8.607 -4.058 -3.364 134 HB3 PRO 22 2HB PRO 22 -7.306 -5.193 -3.838 135 HG2 PRO 22 1HG PRO 22 -8.089 -4.331 -1.033 136 HG3 PRO 22 2HG PRO 22 -7.852 -5.999 -1.649 137 HD2 PRO 22 1HD PRO 22 -5.901 -4.629 -0.319 138 HD3 PRO 22 2HD PRO 22 -5.505 -5.764 -1.631 139 H ASP 23 H ASP 23 -6.132 -1.845 -1.001 140 HA ASP 23 HA ASP 23 -8.319 0.099 -1.589 141 HB2 ASP 23 1HB ASP 23 -8.288 -1.412 0.512 142 HB3 ASP 23 2HB ASP 23 -6.944 -0.453 1.024 143 H LYS 24 H LYS 24 -7.784 2.100 -2.228 144 HA LYS 24 HA LYS 24 -5.130 3.178 -2.243 145 HB2 LYS 24 1HB LYS 24 -6.123 5.204 -3.047 146 HB3 LYS 24 2HB LYS 24 -6.933 3.835 -3.803 147 HG2 LYS 24 1HG LYS 24 -8.834 4.110 -2.156 148 HG3 LYS 24 2HG LYS 24 -7.991 5.502 -1.468 149 HD2 LYS 24 1HD LYS 24 -9.680 6.330 -2.926 150 HD3 LYS 24 2HD LYS 24 -8.112 6.656 -3.675 151 HE2 LYS 24 1HE LYS 24 -8.410 4.672 -5.149 152 HE3 LYS 24 2HE LYS 24 -9.953 4.314 -4.359 153 HZ1 LYS 24 3HZ LYS 24 -9.365 6.781 -5.913 154 HZ2 LYS 24 1HZ LYS 24 -10.791 6.451 -5.185 155 HZ3 LYS 24 2HZ LYS 24 -10.277 5.535 -6.434 156 H TYR 25 H TYR 25 -7.550 3.246 0.310 157 HA TYR 25 HA TYR 25 -6.169 5.418 1.757 158 HB2 TYR 25 1HB TYR 25 -8.532 3.695 2.550 159 HB3 TYR 25 2HB TYR 25 -7.912 5.076 3.442 160 HD1 TYR 25 1HD TYR 25 -7.854 7.378 2.286 161 HD2 TYR 25 2HD TYR 25 -10.111 4.026 0.768 162 HE1 TYR 25 1HE TYR 25 -9.221 8.928 0.895 163 HE2 TYR 25 2HE TYR 25 -11.481 5.581 -0.618 164 HH TYR 25 HH TYR 25 -10.927 9.124 -0.622 165 H LYS 26 H LYS 26 -6.304 1.869 1.868 166 HA LYS 26 HA LYS 26 -4.669 1.629 4.285 167 HB2 LYS 26 1HB LYS 26 -5.071 -0.367 2.029 168 HB3 LYS 26 2HB LYS 26 -4.309 -0.695 3.570 169 HG2 LYS 26 1HG LYS 26 -6.422 -0.110 4.761 170 HG3 LYS 26 2HG LYS 26 -7.223 0.124 3.224 171 HD2 LYS 26 1HD LYS 26 -6.747 -2.285 2.646 172 HD3 LYS 26 2HD LYS 26 -5.934 -2.458 4.205 173 HE2 LYS 26 1HE LYS 26 -8.047 -3.324 4.654 174 HE3 LYS 26 2HE LYS 26 -8.130 -1.683 5.297 175 HZ1 LYS 26 3HZ LYS 26 -10.107 -2.154 4.023 176 HZ2 LYS 26 1HZ LYS 26 -9.261 -2.627 2.714 177 HZ3 LYS 26 2HZ LYS 26 -9.271 -1.052 3.150 178 H LEU 27 H LEU 27 -3.966 1.842 0.783 179 HA LEU 27 HA LEU 27 -1.136 1.634 1.064 180 HB2 LEU 27 1HB LEU 27 -2.353 1.426 -1.085 181 HB3 LEU 27 2HB LEU 27 -2.751 3.145 -1.016 182 HG LEU 27 HG LEU 27 -0.357 3.737 -1.180 183 HD11 LEU 27 1HD1 LEU 27 0.732 1.814 -0.115 184 HD12 LEU 27 2HD1 LEU 27 1.312 1.981 -1.769 185 HD13 LEU 27 3HD1 LEU 27 0.114 0.727 -1.384 186 HD21 LEU 27 3HD2 LEU 27 -0.001 3.029 -3.492 187 HD22 LEU 27 1HD2 LEU 27 -1.709 3.428 -3.235 188 HD23 LEU 27 2HD2 LEU 27 -1.191 1.727 -3.295 189 H GLN 28 H GLN 28 -3.214 4.604 1.080 190 HA GLN 28 HA GLN 28 -1.139 6.488 1.585 191 HB2 GLN 28 1HB GLN 28 -4.091 6.351 2.296 192 HB3 GLN 28 2HB GLN 28 -3.089 7.713 2.817 193 HG2 GLN 28 1HG GLN 28 -2.470 8.263 0.610 194 HG3 GLN 28 2HG GLN 28 -3.188 6.816 -0.087 195 HE21 GLN 28 1HE2 GLN 28 -5.480 6.646 -0.256 196 HE22 GLN 28 2HE2 GLN 28 -6.516 8.077 -0.128 197 H ALA 29 H ALA 29 -3.055 4.625 3.907 198 HA ALA 29 HA ALA 29 -1.703 5.459 6.259 199 HB1 ALA 29 1HB ALA 29 -3.898 4.335 6.231 200 HB2 ALA 29 2HB ALA 29 -3.120 2.820 5.722 201 HB3 ALA 29 3HB ALA 29 -2.758 3.513 7.313 202 H HIS 30 H HIS 30 -0.564 3.182 3.824 203 HA HIS 30 HA HIS 30 1.702 2.309 5.549 204 HB2 HIS 30 1HB HIS 30 0.699 0.625 4.130 205 HB3 HIS 30 2HB HIS 30 0.876 1.641 2.699 206 HD1 HIS 30 1HD HIS 30 3.120 -0.301 5.182 207 HD2 HIS 30 2HD HIS 30 3.206 1.689 1.484 208 HE1 HIS 30 1HE HIS 30 5.444 -0.693 4.247 209 H LEU 31 H LEU 31 1.161 4.472 2.697 210 HA LEU 31 HA LEU 31 3.874 5.019 2.145 211 HB2 LEU 31 1HB LEU 31 1.375 6.700 1.873 212 HB3 LEU 31 2HB LEU 31 2.929 7.254 1.276 213 HG LEU 31 HG LEU 31 1.647 4.654 0.333 214 HD11 LEU 31 1HD1 LEU 31 0.207 6.571 -0.259 215 HD12 LEU 31 2HD1 LEU 31 1.007 5.911 -1.689 216 HD13 LEU 31 3HD1 LEU 31 1.605 7.416 -0.956 217 HD21 LEU 31 3HD2 LEU 31 3.915 6.354 -0.779 218 HD22 LEU 31 1HD2 LEU 31 3.173 4.951 -1.576 219 HD23 LEU 31 2HD2 LEU 31 4.057 4.728 -0.066 220 H LYS 32 H LYS 32 1.805 6.554 4.628 221 HA LYS 32 HA LYS 32 3.674 8.522 5.490 222 HB2 LYS 32 1HB LYS 32 2.469 8.559 7.599 223 HB3 LYS 32 2HB LYS 32 1.388 8.621 6.209 224 HG2 LYS 32 1HG LYS 32 0.632 6.389 6.551 225 HG3 LYS 32 2HG LYS 32 1.946 6.022 7.688 226 HD2 LYS 32 1HD LYS 32 1.033 7.579 9.334 227 HD3 LYS 32 2HD LYS 32 -0.201 8.124 8.197 228 HE2 LYS 32 1HE LYS 32 -1.114 6.617 9.907 229 HE3 LYS 32 2HE LYS 32 -1.345 5.996 8.276 230 HZ1 LYS 32 3HZ LYS 32 -0.566 4.307 9.901 231 HZ2 LYS 32 1HZ LYS 32 0.856 5.094 10.062 232 HZ3 LYS 32 2HZ LYS 32 0.420 4.436 8.610 233 H VAL 33 H VAL 33 3.878 5.090 5.971 234 HA VAL 33 HA VAL 33 5.716 5.130 8.198 235 HB VAL 33 HB VAL 33 4.321 3.172 6.937 236 HG11 VAL 33 1HG1 VAL 33 7.195 2.553 6.125 237 HG12 VAL 33 2HG1 VAL 33 5.752 1.551 5.892 238 HG13 VAL 33 3HG1 VAL 33 5.928 3.058 4.988 239 HG21 VAL 33 3HG2 VAL 33 5.155 3.070 9.191 240 HG22 VAL 33 1HG2 VAL 33 5.462 1.571 8.302 241 HG23 VAL 33 2HG2 VAL 33 6.800 2.719 8.592 242 H HIS 34 H HIS 34 6.082 5.827 4.828 243 HA HIS 34 HA HIS 34 9.056 5.902 4.989 244 HB2 HIS 34 1HB HIS 34 7.218 6.252 2.591 245 HB3 HIS 34 2HB HIS 34 8.968 6.096 2.571 246 HD1 HIS 34 1HD HIS 34 9.712 3.524 3.854 247 HD2 HIS 34 2HD HIS 34 6.032 4.084 1.892 248 HE1 HIS 34 1HE HIS 34 8.916 1.202 3.222 249 H THR 35 H THR 35 6.214 8.010 4.299 250 HA THR 35 HA THR 35 7.974 10.298 3.776 251 HB THR 35 HB THR 35 5.948 11.441 3.054 252 HG1 THR 35 1HG THR 35 3.997 10.342 3.076 253 HG21 THR 35 3HG2 THR 35 6.025 8.605 1.934 254 HG22 THR 35 1HG2 THR 35 7.127 9.918 1.464 255 HG23 THR 35 2HG2 THR 35 5.391 10.060 1.140 256 H ALA 36 H ALA 36 6.358 9.237 6.625 257 HA ALA 36 HA ALA 36 6.570 11.978 7.802 258 HB1 ALA 36 1HB ALA 36 4.555 11.533 9.074 259 HB2 ALA 36 2HB ALA 36 4.217 11.310 7.348 260 HB3 ALA 36 3HB ALA 36 4.439 9.897 8.404 261 H LEU 37 H LEU 37 6.690 11.996 10.175 262 HA LEU 37 HA LEU 37 7.879 9.701 11.537 263 HB2 LEU 37 1HB LEU 37 9.804 10.790 10.388 264 HB3 LEU 37 2HB LEU 37 9.371 12.330 11.124 265 HG LEU 37 HG LEU 37 9.860 11.387 13.382 266 HD11 LEU 37 1HD1 LEU 37 10.807 8.942 11.813 267 HD12 LEU 37 2HD1 LEU 37 9.468 8.982 12.982 268 HD13 LEU 37 3HD1 LEU 37 11.120 9.248 13.537 269 HD21 LEU 37 3HD2 LEU 37 11.590 12.594 12.110 270 HD22 LEU 37 1HD2 LEU 37 12.118 11.069 11.363 271 HD23 LEU 37 2HD2 LEU 37 12.298 11.320 13.115 272 H ASP 38 H ASP 38 7.455 9.757 13.676 273 HA ASP 38 HA ASP 38 6.550 12.204 15.065 274 HB2 ASP 38 1HB ASP 38 4.521 11.303 15.841 275 HB3 ASP 38 2HB ASP 38 4.514 11.101 14.102 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -10.479 -23.913 -5.516 2 H2 GLY 1 2H GLY 1 -11.840 -24.488 -6.224 3 H3 GLY 1 3H GLY 1 -11.626 -22.873 -6.046 4 HA2 GLY 1 1HA GLY 1 -9.988 -24.629 -7.756 5 HA3 GLY 1 2HA GLY 1 -11.247 -23.521 -8.338 6 H SER 2 H SER 2 -8.429 -23.536 -9.044 7 HA SER 2 HA SER 2 -7.038 -21.446 -7.617 8 HB2 SER 2 1HB SER 2 -6.311 -22.811 -10.227 9 HB3 SER 2 2HB SER 2 -5.229 -21.876 -9.176 10 HG SER 2 HG SER 2 -5.050 -24.138 -8.813 11 H SER 3 H SER 3 -9.448 -20.352 -8.608 12 HA SER 3 HA SER 3 -9.097 -18.947 -11.097 13 HB2 SER 3 1HB SER 3 -11.114 -18.444 -8.880 14 HB3 SER 3 2HB SER 3 -11.244 -17.939 -10.577 15 HG SER 3 HG SER 3 -12.422 -19.862 -10.176 16 H GLY 4 H GLY 4 -8.017 -18.138 -7.924 17 HA2 GLY 4 1HA GLY 4 -6.811 -16.307 -7.163 18 HA3 GLY 4 2HA GLY 4 -6.966 -15.542 -8.738 19 H SER 5 H SER 5 -7.102 -13.781 -6.916 20 HA SER 5 HA SER 5 -9.783 -13.339 -5.797 21 HB2 SER 5 1HB SER 5 -8.721 -11.325 -4.799 22 HB3 SER 5 2HB SER 5 -7.932 -12.850 -4.374 23 HG SER 5 HG SER 5 -6.415 -11.227 -4.956 24 H SER 6 H SER 6 -10.966 -11.367 -6.086 25 HA SER 6 HA SER 6 -11.253 -10.570 -8.857 26 HB2 SER 6 1HB SER 6 -12.596 -9.480 -6.359 27 HB3 SER 6 2HB SER 6 -13.091 -9.177 -8.033 28 HG SER 6 HG SER 6 -14.295 -10.882 -7.060 29 H GLY 7 H GLY 7 -10.979 -8.548 -9.807 30 HA2 GLY 7 1HA GLY 7 -10.113 -6.438 -10.189 31 HA3 GLY 7 2HA GLY 7 -10.047 -6.188 -8.448 32 H ILE 8 H ILE 8 -8.089 -5.034 -8.810 33 HA ILE 8 HA ILE 8 -5.660 -6.743 -8.904 34 HB ILE 8 HB ILE 8 -4.431 -5.028 -10.137 35 HG12 ILE 8 1HG1 ILE 8 -7.135 -3.765 -10.780 36 HG13 ILE 8 2HG1 ILE 8 -5.937 -3.083 -9.675 37 HG21 ILE 8 1HG2 ILE 8 -5.396 -7.074 -11.215 38 HG22 ILE 8 2HG2 ILE 8 -6.781 -6.097 -11.750 39 HG23 ILE 8 3HG2 ILE 8 -5.144 -5.732 -12.332 40 HD11 ILE 8 3HD1 ILE 8 -5.581 -3.504 -12.661 41 HD12 ILE 8 1HD1 ILE 8 -5.722 -1.970 -11.788 42 HD13 ILE 8 2HD1 ILE 8 -4.288 -2.989 -11.549 43 H LEU 9 H LEU 9 -3.885 -6.003 -7.713 44 HA LEU 9 HA LEU 9 -4.555 -4.239 -5.450 45 HB2 LEU 9 1HB LEU 9 -2.318 -6.202 -6.037 46 HB3 LEU 9 2HB LEU 9 -2.172 -4.992 -4.769 47 HG LEU 9 HG LEU 9 -4.219 -5.818 -3.691 48 HD11 LEU 9 1HD1 LEU 9 -5.026 -8.124 -4.217 49 HD12 LEU 9 2HD1 LEU 9 -4.067 -8.086 -5.714 50 HD13 LEU 9 3HD1 LEU 9 -5.422 -6.955 -5.472 51 HD21 LEU 9 3HD2 LEU 9 -2.003 -6.547 -2.946 52 HD22 LEU 9 1HD2 LEU 9 -2.044 -7.901 -4.099 53 HD23 LEU 9 2HD2 LEU 9 -3.189 -7.841 -2.739 54 H LEU 10 H LEU 10 -3.482 -2.463 -4.844 55 HA LEU 10 HA LEU 10 -1.881 -0.926 -6.808 56 HB2 LEU 10 1HB LEU 10 -2.798 -0.162 -4.011 57 HB3 LEU 10 2HB LEU 10 -2.161 0.909 -5.258 58 HG LEU 10 HG LEU 10 -4.852 -0.531 -5.360 59 HD11 LEU 10 1HD1 LEU 10 -4.162 2.396 -4.894 60 HD12 LEU 10 2HD1 LEU 10 -4.738 1.243 -3.668 61 HD13 LEU 10 3HD1 LEU 10 -5.795 1.699 -5.015 62 HD21 LEU 10 3HD2 LEU 10 -3.638 1.549 -7.235 63 HD22 LEU 10 1HD2 LEU 10 -5.311 0.948 -7.294 64 HD23 LEU 10 2HD2 LEU 10 -3.969 -0.154 -7.632 65 H LYS 11 H LYS 11 0.239 -0.141 -6.171 66 HA LYS 11 HA LYS 11 1.648 -1.837 -4.130 67 HB2 LYS 11 1HB LYS 11 2.608 -1.073 -6.916 68 HB3 LYS 11 2HB LYS 11 3.574 -1.889 -5.681 69 HG2 LYS 11 1HG LYS 11 1.959 -3.788 -5.674 70 HG3 LYS 11 2HG LYS 11 1.037 -2.997 -6.967 71 HD2 LYS 11 1HD LYS 11 3.035 -3.071 -8.438 72 HD3 LYS 11 2HD LYS 11 3.951 -3.881 -7.147 73 HE2 LYS 11 1HE LYS 11 2.313 -5.753 -7.167 74 HE3 LYS 11 2HE LYS 11 1.401 -4.944 -8.449 75 HZ1 LYS 11 3HZ LYS 11 4.210 -5.894 -8.697 76 HZ2 LYS 11 1HZ LYS 11 3.367 -5.147 -9.882 77 HZ3 LYS 11 2HZ LYS 11 2.908 -6.622 -9.356 78 H CYS 12 H CYS 12 3.296 -0.987 -2.995 79 HA CYS 12 HA CYS 12 3.400 1.854 -2.573 80 HB2 CYS 12 1HB CYS 12 3.694 0.072 -0.879 81 HB3 CYS 12 2HB CYS 12 5.240 -0.371 -1.634 82 HA PRO 13 HA PRO 13 6.339 2.574 -5.887 83 HB2 PRO 13 1HB PRO 13 6.758 5.243 -5.656 84 HB3 PRO 13 2HB PRO 13 5.151 4.569 -6.071 85 HG2 PRO 13 1HG PRO 13 6.155 5.415 -3.327 86 HG3 PRO 13 2HG PRO 13 4.627 5.895 -4.139 87 HD2 PRO 13 1HD PRO 13 4.757 3.832 -2.349 88 HD3 PRO 13 2HD PRO 13 3.656 3.787 -3.760 89 H THR 14 H THR 14 7.306 2.858 -2.568 90 HA THR 14 HA THR 14 9.939 3.946 -2.943 91 HB THR 14 HB THR 14 8.785 2.316 -0.661 92 HG1 THR 14 1HG THR 14 8.528 4.364 0.238 93 HG21 THR 14 3HG2 THR 14 11.306 4.033 -0.796 94 HG22 THR 14 1HG2 THR 14 11.218 2.290 -0.440 95 HG23 THR 14 2HG2 THR 14 10.559 3.455 0.708 96 H ASP 15 H ASP 15 11.852 3.038 -3.475 97 HA ASP 15 HA ASP 15 11.872 0.570 -4.837 98 HB2 ASP 15 1HB ASP 15 13.307 2.524 -5.314 99 HB3 ASP 15 2HB ASP 15 14.198 2.244 -3.817 100 H GLY 16 H GLY 16 12.881 1.256 -1.508 101 HA2 GLY 16 1HA GLY 16 14.000 -1.408 -1.009 102 HA3 GLY 16 2HA GLY 16 13.742 -0.117 0.163 103 H CYS 17 H CYS 17 10.820 -0.520 -1.414 104 HA CYS 17 HA CYS 17 9.687 -2.061 0.862 105 HB2 CYS 17 1HB CYS 17 9.160 0.371 0.337 106 HB3 CYS 17 2HB CYS 17 8.247 -0.236 -1.057 107 H ASP 18 H ASP 18 7.730 -3.239 0.389 108 HA ASP 18 HA ASP 18 7.594 -4.683 -2.210 109 HB2 ASP 18 1HB ASP 18 9.226 -5.848 -0.664 110 HB3 ASP 18 2HB ASP 18 7.894 -6.118 0.456 111 H TYR 19 H TYR 19 5.912 -2.920 -0.129 112 HA TYR 19 HA TYR 19 3.692 -4.604 0.602 113 HB2 TYR 19 1HB TYR 19 4.448 -2.768 1.976 114 HB3 TYR 19 2HB TYR 19 4.157 -1.617 0.692 115 HD1 TYR 19 2HD TYR 19 2.590 -3.813 3.232 116 HD2 TYR 19 1HD TYR 19 1.857 -0.816 0.209 117 HE1 TYR 19 2HE TYR 19 0.305 -3.428 4.154 118 HE2 TYR 19 1HE TYR 19 -0.392 -0.416 1.151 119 HH TYR 19 HH TYR 19 -1.868 -0.906 2.852 120 H SER 20 H SER 20 1.680 -4.807 -0.180 121 HA SER 20 HA SER 20 0.655 -3.066 -2.295 122 HB2 SER 20 1HB SER 20 -0.107 -4.966 -3.693 123 HB3 SER 20 2HB SER 20 1.661 -4.820 -3.625 124 HG SER 20 HG SER 20 1.020 -6.987 -3.353 125 H THR 21 H THR 21 -1.608 -3.088 -2.534 126 HA THR 21 HA THR 21 -3.314 -4.658 -0.742 127 HB THR 21 HB THR 21 -2.533 -3.040 0.852 128 HG1 THR 21 1HG THR 21 -4.450 -2.325 1.507 129 HG21 THR 21 3HG2 THR 21 -1.829 -1.185 -0.657 130 HG22 THR 21 1HG2 THR 21 -2.900 -0.637 0.641 131 HG23 THR 21 2HG2 THR 21 -3.534 -0.838 -1.003 132 HA PRO 22 HA PRO 22 -6.099 -3.476 -4.057 133 HB2 PRO 22 1HB PRO 22 -8.507 -4.359 -3.154 134 HB3 PRO 22 2HB PRO 22 -7.177 -5.472 -3.599 135 HG2 PRO 22 1HG PRO 22 -7.898 -4.457 -0.826 136 HG3 PRO 22 2HG PRO 22 -7.644 -6.156 -1.345 137 HD2 PRO 22 1HD PRO 22 -5.669 -4.705 -0.176 138 HD3 PRO 22 2HD PRO 22 -5.304 -5.854 -1.488 139 H ASP 23 H ASP 23 -6.107 -1.863 -1.032 140 HA ASP 23 HA ASP 23 -8.320 -0.017 -1.851 141 HB2 ASP 23 1HB ASP 23 -8.529 -1.413 0.316 142 HB3 ASP 23 2HB ASP 23 -7.211 -0.463 0.897 143 H LYS 24 H LYS 24 -7.931 2.092 -2.213 144 HA LYS 24 HA LYS 24 -5.240 3.120 -2.253 145 HB2 LYS 24 1HB LYS 24 -6.185 5.130 -3.138 146 HB3 LYS 24 2HB LYS 24 -6.980 3.748 -3.886 147 HG2 LYS 24 1HG LYS 24 -8.946 4.070 -2.370 148 HG3 LYS 24 2HG LYS 24 -8.137 5.471 -1.636 149 HD2 LYS 24 1HD LYS 24 -8.070 6.598 -3.833 150 HD3 LYS 24 2HD LYS 24 -8.901 5.206 -4.571 151 HE2 LYS 24 1HE LYS 24 -10.832 5.574 -3.042 152 HE3 LYS 24 2HE LYS 24 -9.995 6.967 -2.338 153 HZ1 LYS 24 3HZ LYS 24 -10.058 8.032 -4.528 154 HZ2 LYS 24 1HZ LYS 24 -11.571 7.665 -4.042 155 HZ3 LYS 24 2HZ LYS 24 -10.840 6.751 -5.179 156 H TYR 25 H TYR 25 -7.649 3.269 0.286 157 HA TYR 25 HA TYR 25 -6.248 5.481 1.671 158 HB2 TYR 25 1HB TYR 25 -8.592 3.805 2.609 159 HB3 TYR 25 2HB TYR 25 -7.961 5.258 3.352 160 HD1 TYR 25 2HD TYR 25 -8.051 7.472 2.034 161 HD2 TYR 25 1HD TYR 25 -10.227 3.937 0.858 162 HE1 TYR 25 2HE TYR 25 -9.637 8.880 0.717 163 HE2 TYR 25 1HE TYR 25 -11.828 5.344 -0.423 164 HH TYR 25 HH TYR 25 -12.447 7.477 -1.009 165 H LYS 26 H LYS 26 -6.639 1.919 1.894 166 HA LYS 26 HA LYS 26 -4.943 1.528 4.195 167 HB2 LYS 26 1HB LYS 26 -5.321 -0.304 1.830 168 HB3 LYS 26 2HB LYS 26 -4.534 -0.712 3.345 169 HG2 LYS 26 1HG LYS 26 -6.657 -0.140 4.588 170 HG3 LYS 26 2HG LYS 26 -7.454 0.120 3.056 171 HD2 LYS 26 1HD LYS 26 -8.015 -2.051 3.777 172 HD3 LYS 26 2HD LYS 26 -6.878 -2.255 2.430 173 HE2 LYS 26 1HE LYS 26 -5.038 -2.650 4.070 174 HE3 LYS 26 2HE LYS 26 -6.180 -2.425 5.399 175 HZ1 LYS 26 3HZ LYS 26 -6.344 -4.583 3.362 176 HZ2 LYS 26 1HZ LYS 26 -7.400 -4.375 4.593 177 HZ3 LYS 26 2HZ LYS 26 -5.851 -4.777 4.904 178 H LEU 27 H LEU 27 -4.150 1.927 0.720 179 HA LEU 27 HA LEU 27 -1.319 1.633 1.060 180 HB2 LEU 27 1HB LEU 27 -2.465 1.439 -1.106 181 HB3 LEU 27 2HB LEU 27 -2.872 3.155 -1.055 182 HG LEU 27 HG LEU 27 -0.496 3.767 -1.193 183 HD11 LEU 27 1HD1 LEU 27 1.225 2.031 -1.688 184 HD12 LEU 27 2HD1 LEU 27 0.042 0.762 -1.303 185 HD13 LEU 27 3HD1 LEU 27 0.605 1.896 -0.047 186 HD21 LEU 27 3HD2 LEU 27 -1.791 3.368 -3.272 187 HD22 LEU 27 1HD2 LEU 27 -1.224 1.681 -3.273 188 HD23 LEU 27 2HD2 LEU 27 -0.066 3.011 -3.472 189 H GLN 28 H GLN 28 -3.330 4.654 1.004 190 HA GLN 28 HA GLN 28 -1.223 6.489 1.518 191 HB2 GLN 28 1HB GLN 28 -4.184 6.440 2.209 192 HB3 GLN 28 2HB GLN 28 -3.152 7.798 2.682 193 HG2 GLN 28 1HG GLN 28 -2.510 8.243 0.454 194 HG3 GLN 28 2HG GLN 28 -3.271 6.794 -0.188 195 HE21 GLN 28 1HE2 GLN 28 -5.566 6.688 -0.368 196 HE22 GLN 28 2HE2 GLN 28 -6.555 8.156 -0.296 197 H ALA 29 H ALA 29 -3.183 4.684 3.827 198 HA ALA 29 HA ALA 29 -1.872 5.513 6.215 199 HB1 ALA 29 1HB ALA 29 -3.303 2.891 5.613 200 HB2 ALA 29 2HB ALA 29 -2.964 3.555 7.224 201 HB3 ALA 29 3HB ALA 29 -4.075 4.407 6.135 202 H HIS 30 H HIS 30 -0.647 3.338 3.756 203 HA HIS 30 HA HIS 30 1.578 2.435 5.542 204 HB2 HIS 30 1HB HIS 30 0.594 0.695 4.198 205 HB3 HIS 30 2HB HIS 30 0.718 1.664 2.731 206 HD1 HIS 30 1HD HIS 30 3.016 -0.257 5.161 207 HD2 HIS 30 2HD HIS 30 3.046 1.795 1.494 208 HE1 HIS 30 1HE HIS 30 5.326 -0.632 4.183 209 H LEU 31 H LEU 31 1.038 4.520 2.628 210 HA LEU 31 HA LEU 31 3.738 4.995 1.998 211 HB2 LEU 31 1HB LEU 31 1.340 6.843 1.819 212 HB3 LEU 31 2HB LEU 31 2.896 7.222 1.099 213 HG LEU 31 HG LEU 31 1.210 4.810 0.319 214 HD11 LEU 31 1HD1 LEU 31 0.141 6.955 -0.305 215 HD12 LEU 31 2HD1 LEU 31 0.718 6.070 -1.724 216 HD13 LEU 31 3HD1 LEU 31 1.641 7.460 -1.112 217 HD21 LEU 31 3HD2 LEU 31 3.701 5.994 -0.949 218 HD22 LEU 31 1HD2 LEU 31 2.685 4.702 -1.631 219 HD23 LEU 31 2HD2 LEU 31 3.576 4.414 -0.138 220 H LYS 32 H LYS 32 1.802 6.605 4.511 221 HA LYS 32 HA LYS 32 3.691 8.579 5.290 222 HB2 LYS 32 1HB LYS 32 2.463 8.757 7.340 223 HB3 LYS 32 2HB LYS 32 1.340 8.559 5.994 224 HG2 LYS 32 1HG LYS 32 1.029 6.171 6.599 225 HG3 LYS 32 2HG LYS 32 2.174 6.358 7.943 226 HD2 LYS 32 1HD LYS 32 0.690 8.116 8.926 227 HD3 LYS 32 2HD LYS 32 -0.486 7.812 7.629 228 HE2 LYS 32 1HE LYS 32 -0.682 5.448 8.361 229 HE3 LYS 32 2HE LYS 32 0.525 5.726 9.619 230 HZ1 LYS 32 3HZ LYS 32 -0.997 7.329 10.645 231 HZ2 LYS 32 1HZ LYS 32 -1.729 5.878 10.509 232 HZ3 LYS 32 2HZ LYS 32 -2.118 7.084 9.481 233 H VAL 33 H VAL 33 3.856 5.150 5.864 234 HA VAL 33 HA VAL 33 5.615 5.193 8.131 235 HB VAL 33 HB VAL 33 4.242 3.249 6.885 236 HG11 VAL 33 1HG1 VAL 33 5.642 1.610 5.822 237 HG12 VAL 33 2HG1 VAL 33 5.818 3.118 4.919 238 HG13 VAL 33 3HG1 VAL 33 7.097 2.596 6.034 239 HG21 VAL 33 3HG2 VAL 33 5.100 3.128 9.134 240 HG22 VAL 33 1HG2 VAL 33 5.366 1.626 8.238 241 HG23 VAL 33 2HG2 VAL 33 6.730 2.744 8.517 242 H HIS 34 H HIS 34 6.183 5.826 4.751 243 HA HIS 34 HA HIS 34 9.117 5.603 4.992 244 HB2 HIS 34 1HB HIS 34 7.320 6.312 2.642 245 HB3 HIS 34 2HB HIS 34 9.062 6.071 2.570 246 HD1 HIS 34 1HD HIS 34 9.815 3.444 3.513 247 HD2 HIS 34 2HD HIS 34 5.946 4.177 2.030 248 HE1 HIS 34 1HE HIS 34 8.890 1.173 2.860 249 H THR 35 H THR 35 6.839 8.075 5.594 250 HA THR 35 HA THR 35 8.869 10.226 5.066 251 HB THR 35 HB THR 35 6.984 11.752 4.703 252 HG1 THR 35 1HG THR 35 4.931 10.891 4.434 253 HG21 THR 35 3HG2 THR 35 8.039 10.578 2.760 254 HG22 THR 35 1HG2 THR 35 6.337 10.991 2.489 255 HG23 THR 35 2HG2 THR 35 6.790 9.317 2.874 256 H ALA 36 H ALA 36 6.275 9.207 7.318 257 HA ALA 36 HA ALA 36 7.109 11.250 9.282 258 HB1 ALA 36 1HB ALA 36 5.123 10.506 10.496 259 HB2 ALA 36 2HB ALA 36 4.717 10.841 8.800 260 HB3 ALA 36 3HB ALA 36 4.895 9.161 9.359 261 H LEU 37 H LEU 37 7.571 7.876 8.694 262 HA LEU 37 HA LEU 37 8.720 6.195 9.597 263 HB2 LEU 37 1HB LEU 37 10.278 8.538 10.689 264 HB3 LEU 37 2HB LEU 37 10.734 6.908 11.097 265 HG LEU 37 HG LEU 37 12.062 7.841 9.284 266 HD11 LEU 37 1HD1 LEU 37 11.770 5.397 9.480 267 HD12 LEU 37 2HD1 LEU 37 12.036 5.919 7.809 268 HD13 LEU 37 3HD1 LEU 37 10.408 5.469 8.344 269 HD21 LEU 37 3HD2 LEU 37 10.316 9.188 8.137 270 HD22 LEU 37 1HD2 LEU 37 9.602 7.676 7.514 271 HD23 LEU 37 2HD2 LEU 37 11.243 8.150 7.041 272 H ASP 38 H ASP 38 7.174 8.154 11.996 273 HA ASP 38 HA ASP 38 6.814 5.764 13.740 274 HB2 ASP 38 1HB ASP 38 8.683 7.063 14.671 275 HB3 ASP 38 2HB ASP 38 7.699 8.522 14.676 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -7.743 -23.421 -11.413 2 H2 GLY 1 2H GLY 1 -6.268 -23.703 -10.760 3 H3 GLY 1 3H GLY 1 -6.397 -23.236 -12.325 4 HA2 GLY 1 1HA GLY 1 -7.102 -21.594 -9.977 5 HA3 GLY 1 2HA GLY 1 -5.652 -21.389 -10.978 6 H SER 2 H SER 2 -6.508 -19.169 -11.180 7 HA SER 2 HA SER 2 -8.079 -18.864 -13.652 8 HB2 SER 2 1HB SER 2 -9.711 -18.802 -11.699 9 HB3 SER 2 2HB SER 2 -8.892 -17.321 -11.162 10 HG SER 2 HG SER 2 -10.725 -16.918 -12.522 11 H SER 3 H SER 3 -8.016 -16.609 -14.443 12 HA SER 3 HA SER 3 -5.656 -14.998 -13.604 13 HB2 SER 3 1HB SER 3 -6.081 -16.033 -16.438 14 HB3 SER 3 2HB SER 3 -4.821 -14.904 -15.921 15 HG SER 3 HG SER 3 -3.978 -16.564 -14.571 16 H GLY 4 H GLY 4 -5.631 -12.847 -14.419 17 HA2 GLY 4 1HA GLY 4 -6.496 -10.859 -15.197 18 HA3 GLY 4 2HA GLY 4 -7.692 -11.763 -16.128 19 H SER 5 H SER 5 -7.584 -12.269 -12.669 20 HA SER 5 HA SER 5 -10.298 -11.692 -12.252 21 HB2 SER 5 1HB SER 5 -8.082 -11.746 -10.173 22 HB3 SER 5 2HB SER 5 -9.815 -11.985 -9.882 23 HG SER 5 HG SER 5 -8.683 -13.978 -10.041 24 H SER 6 H SER 6 -11.439 -10.083 -11.200 25 HA SER 6 HA SER 6 -10.620 -7.360 -11.490 26 HB2 SER 6 1HB SER 6 -12.893 -8.527 -9.837 27 HB3 SER 6 2HB SER 6 -12.733 -6.839 -10.358 28 HG SER 6 HG SER 6 -14.104 -8.054 -11.750 29 H GLY 7 H GLY 7 -10.537 -5.705 -9.798 30 HA2 GLY 7 1HA GLY 7 -9.921 -4.800 -7.767 31 HA3 GLY 7 2HA GLY 7 -10.111 -6.384 -7.015 32 H ILE 8 H ILE 8 -7.901 -5.536 -9.685 33 HA ILE 8 HA ILE 8 -5.649 -6.867 -8.652 34 HB ILE 8 HB ILE 8 -5.767 -4.615 -10.697 35 HG12 ILE 8 1HG1 ILE 8 -5.829 -7.652 -11.059 36 HG13 ILE 8 2HG1 ILE 8 -7.202 -6.568 -11.275 37 HG21 ILE 8 1HG2 ILE 8 -3.582 -6.696 -10.201 38 HG22 ILE 8 2HG2 ILE 8 -3.594 -5.490 -11.505 39 HG23 ILE 8 3HG2 ILE 8 -3.455 -4.956 -9.847 40 HD11 ILE 8 3HD1 ILE 8 -4.732 -6.693 -13.028 41 HD12 ILE 8 1HD1 ILE 8 -6.399 -7.112 -13.439 42 HD13 ILE 8 2HD1 ILE 8 -5.973 -5.416 -13.134 43 H LEU 9 H LEU 9 -4.057 -6.348 -7.377 44 HA LEU 9 HA LEU 9 -4.400 -4.280 -5.448 45 HB2 LEU 9 1HB LEU 9 -2.194 -6.308 -5.953 46 HB3 LEU 9 2HB LEU 9 -2.061 -5.079 -4.704 47 HG LEU 9 HG LEU 9 -4.115 -5.887 -3.619 48 HD11 LEU 9 1HD1 LEU 9 -4.936 -8.186 -4.140 49 HD12 LEU 9 2HD1 LEU 9 -3.967 -8.172 -5.631 50 HD13 LEU 9 3HD1 LEU 9 -5.315 -7.025 -5.406 51 HD21 LEU 9 3HD2 LEU 9 -1.955 -7.988 -4.020 52 HD22 LEU 9 1HD2 LEU 9 -3.100 -7.912 -2.662 53 HD23 LEU 9 2HD2 LEU 9 -1.903 -6.631 -2.874 54 H LEU 10 H LEU 10 -3.283 -2.527 -4.889 55 HA LEU 10 HA LEU 10 -1.588 -1.097 -6.856 56 HB2 LEU 10 1HB LEU 10 -2.567 -0.243 -4.099 57 HB3 LEU 10 2HB LEU 10 -1.871 0.793 -5.342 58 HG LEU 10 HG LEU 10 -4.592 -0.584 -5.525 59 HD11 LEU 10 1HD1 LEU 10 -5.501 1.664 -5.166 60 HD12 LEU 10 2HD1 LEU 10 -3.857 2.316 -4.962 61 HD13 LEU 10 3HD1 LEU 10 -4.515 1.150 -3.788 62 HD21 LEU 10 3HD2 LEU 10 -3.613 -0.169 -7.754 63 HD22 LEU 10 1HD2 LEU 10 -3.285 1.522 -7.305 64 HD23 LEU 10 2HD2 LEU 10 -4.959 0.936 -7.439 65 H LYS 11 H LYS 11 0.484 -0.305 -6.232 66 HA LYS 11 HA LYS 11 1.875 -1.926 -4.138 67 HB2 LYS 11 1HB LYS 11 2.181 -2.089 -6.916 68 HB3 LYS 11 2HB LYS 11 3.520 -1.059 -6.454 69 HG2 LYS 11 1HG LYS 11 2.872 -3.702 -5.097 70 HG3 LYS 11 2HG LYS 11 3.850 -3.626 -6.550 71 HD2 LYS 11 1HD LYS 11 4.623 -2.134 -4.010 72 HD3 LYS 11 2HD LYS 11 5.132 -3.786 -4.342 73 HE2 LYS 11 1HE LYS 11 6.407 -3.170 -6.238 74 HE3 LYS 11 2HE LYS 11 5.635 -1.586 -6.369 75 HZ1 LYS 11 3HZ LYS 11 6.755 -0.840 -4.436 76 HZ2 LYS 11 1HZ LYS 11 7.898 -1.512 -5.385 77 HZ3 LYS 11 2HZ LYS 11 7.365 -2.307 -4.053 78 H CYS 12 H CYS 12 3.320 -0.981 -2.835 79 HA CYS 12 HA CYS 12 3.392 1.807 -2.365 80 HB2 CYS 12 1HB CYS 12 3.869 0.016 -0.764 81 HB3 CYS 12 2HB CYS 12 5.355 -0.393 -1.646 82 HA PRO 13 HA PRO 13 6.246 2.890 -5.698 83 HB2 PRO 13 1HB PRO 13 6.407 5.575 -5.350 84 HB3 PRO 13 2HB PRO 13 4.880 4.781 -5.838 85 HG2 PRO 13 1HG PRO 13 5.733 5.592 -3.033 86 HG3 PRO 13 2HG PRO 13 4.193 5.976 -3.871 87 HD2 PRO 13 1HD PRO 13 4.457 3.847 -2.165 88 HD3 PRO 13 2HD PRO 13 3.392 3.780 -3.603 89 H THR 14 H THR 14 7.077 2.842 -2.398 90 HA THR 14 HA THR 14 9.576 4.327 -2.540 91 HB THR 14 HB THR 14 8.633 2.433 -0.364 92 HG1 THR 14 1HG THR 14 7.151 4.031 -0.568 93 HG21 THR 14 3HG2 THR 14 11.007 2.975 -0.098 94 HG22 THR 14 1HG2 THR 14 10.061 3.882 1.085 95 HG23 THR 14 2HG2 THR 14 10.672 4.704 -0.365 96 H ASP 15 H ASP 15 11.653 3.616 -2.777 97 HA ASP 15 HA ASP 15 12.140 1.239 -4.238 98 HB2 ASP 15 1HB ASP 15 13.536 3.244 -4.386 99 HB3 ASP 15 2HB ASP 15 14.060 3.036 -2.714 100 H GLY 16 H GLY 16 12.603 -0.799 -3.712 101 HA2 GLY 16 1HA GLY 16 13.180 -2.682 -2.526 102 HA3 GLY 16 2HA GLY 16 13.766 -1.667 -1.210 103 H CYS 17 H CYS 17 10.606 -0.676 -1.614 104 HA CYS 17 HA CYS 17 9.650 -2.363 0.604 105 HB2 CYS 17 1HB CYS 17 9.518 0.110 0.646 106 HB3 CYS 17 2HB CYS 17 8.373 0.053 -0.702 107 H ASP 18 H ASP 18 8.344 -4.019 0.392 108 HA ASP 18 HA ASP 18 7.412 -4.818 -2.300 109 HB2 ASP 18 1HB ASP 18 7.519 -7.046 -1.528 110 HB3 ASP 18 2HB ASP 18 8.992 -6.246 -1.006 111 H TYR 19 H TYR 19 5.956 -3.214 0.148 112 HA TYR 19 HA TYR 19 3.618 -4.701 0.743 113 HB2 TYR 19 1HB TYR 19 4.386 -2.855 2.100 114 HB3 TYR 19 2HB TYR 19 4.171 -1.728 0.771 115 HD1 TYR 19 2HD TYR 19 2.424 -3.798 3.308 116 HD2 TYR 19 1HD TYR 19 1.947 -0.853 0.186 117 HE1 TYR 19 2HE TYR 19 0.105 -3.339 4.087 118 HE2 TYR 19 1HE TYR 19 -0.345 -0.372 0.998 119 HH TYR 19 HH TYR 19 -1.793 -2.100 3.782 120 H SER 20 H SER 20 1.649 -4.901 -0.099 121 HA SER 20 HA SER 20 0.701 -3.149 -2.230 122 HB2 SER 20 1HB SER 20 -0.017 -5.030 -3.681 123 HB3 SER 20 2HB SER 20 1.740 -4.876 -3.565 124 HG SER 20 HG SER 20 1.786 -6.609 -2.138 125 H THR 21 H THR 21 -1.537 -3.135 -2.537 126 HA THR 21 HA THR 21 -3.323 -4.699 -0.808 127 HB THR 21 HB THR 21 -2.572 -3.084 0.805 128 HG1 THR 21 1HG THR 21 -4.505 -2.327 1.391 129 HG21 THR 21 3HG2 THR 21 -3.513 -0.867 -1.068 130 HG22 THR 21 1HG2 THR 21 -1.815 -1.238 -0.704 131 HG23 THR 21 2HG2 THR 21 -2.893 -0.680 0.584 132 HA PRO 22 HA PRO 22 -6.041 -3.365 -4.167 133 HB2 PRO 22 1HB PRO 22 -8.454 -4.279 -3.339 134 HB3 PRO 22 2HB PRO 22 -7.129 -5.389 -3.806 135 HG2 PRO 22 1HG PRO 22 -7.899 -4.490 -1.008 136 HG3 PRO 22 2HG PRO 22 -7.635 -6.164 -1.594 137 HD2 PRO 22 1HD PRO 22 -5.693 -4.730 -0.321 138 HD3 PRO 22 2HD PRO 22 -5.296 -5.881 -1.619 139 H ASP 23 H ASP 23 -6.043 -2.037 -1.009 140 HA ASP 23 HA ASP 23 -8.271 -0.128 -1.548 141 HB2 ASP 23 1HB ASP 23 -6.938 -1.223 0.912 142 HB3 ASP 23 2HB ASP 23 -7.903 0.237 1.005 143 H LYS 24 H LYS 24 -7.762 1.775 -2.291 144 HA LYS 24 HA LYS 24 -5.278 3.080 -2.423 145 HB2 LYS 24 1HB LYS 24 -7.196 3.613 -3.780 146 HB3 LYS 24 2HB LYS 24 -8.147 4.123 -2.399 147 HG2 LYS 24 1HG LYS 24 -5.608 5.582 -3.251 148 HG3 LYS 24 2HG LYS 24 -7.185 5.876 -3.979 149 HD2 LYS 24 1HD LYS 24 -8.045 6.317 -1.559 150 HD3 LYS 24 2HD LYS 24 -6.339 6.436 -1.124 151 HE2 LYS 24 1HE LYS 24 -7.027 8.644 -1.502 152 HE3 LYS 24 2HE LYS 24 -6.074 8.199 -2.921 153 HZ1 LYS 24 3HZ LYS 24 -8.141 9.343 -3.524 154 HZ2 LYS 24 1HZ LYS 24 -9.051 8.209 -2.787 155 HZ3 LYS 24 2HZ LYS 24 -8.178 7.827 -4.116 156 H TYR 25 H TYR 25 -7.788 3.549 0.090 157 HA TYR 25 HA TYR 25 -6.238 5.507 1.523 158 HB2 TYR 25 1HB TYR 25 -8.646 3.869 2.376 159 HB3 TYR 25 2HB TYR 25 -7.977 5.230 3.272 160 HD1 TYR 25 1HD TYR 25 -7.849 7.524 2.167 161 HD2 TYR 25 2HD TYR 25 -10.164 4.267 0.530 162 HE1 TYR 25 1HE TYR 25 -9.101 9.133 0.740 163 HE2 TYR 25 2HE TYR 25 -11.403 5.881 -0.912 164 HH TYR 25 HH TYR 25 -10.746 9.405 -0.835 165 H LYS 26 H LYS 26 -6.337 1.981 1.774 166 HA LYS 26 HA LYS 26 -4.747 1.860 4.237 167 HB2 LYS 26 1HB LYS 26 -5.289 -0.219 2.086 168 HB3 LYS 26 2HB LYS 26 -4.409 -0.522 3.577 169 HG2 LYS 26 1HG LYS 26 -6.418 0.182 4.906 170 HG3 LYS 26 2HG LYS 26 -7.315 0.357 3.388 171 HD2 LYS 26 1HD LYS 26 -6.752 -2.087 2.905 172 HD3 LYS 26 2HD LYS 26 -6.127 -2.207 4.549 173 HE2 LYS 26 1HE LYS 26 -8.253 -1.878 5.526 174 HE3 LYS 26 2HE LYS 26 -8.898 -1.082 4.083 175 HZ1 LYS 26 3HZ LYS 26 -8.901 -3.160 2.919 176 HZ2 LYS 26 1HZ LYS 26 -9.751 -3.348 4.306 177 HZ3 LYS 26 2HZ LYS 26 -8.240 -3.970 4.193 178 H LEU 27 H LEU 27 -3.998 1.876 0.731 179 HA LEU 27 HA LEU 27 -1.167 1.661 1.081 180 HB2 LEU 27 1HB LEU 27 -2.306 1.341 -1.082 181 HB3 LEU 27 2HB LEU 27 -2.744 3.044 -1.119 182 HG LEU 27 HG LEU 27 -0.375 3.699 -1.256 183 HD11 LEU 27 1HD1 LEU 27 0.738 1.872 -0.049 184 HD12 LEU 27 2HD1 LEU 27 1.357 1.975 -1.691 185 HD13 LEU 27 3HD1 LEU 27 0.194 0.699 -1.279 186 HD21 LEU 27 3HD2 LEU 27 -1.667 3.217 -3.320 187 HD22 LEU 27 1HD2 LEU 27 -1.085 1.536 -3.265 188 HD23 LEU 27 2HD2 LEU 27 0.063 2.870 -3.511 189 H GLN 28 H GLN 28 -3.250 4.619 0.904 190 HA GLN 28 HA GLN 28 -1.178 6.524 1.344 191 HB2 GLN 28 1HB GLN 28 -4.102 6.496 2.189 192 HB3 GLN 28 2HB GLN 28 -3.066 7.895 2.407 193 HG2 GLN 28 1HG GLN 28 -3.582 6.581 -0.299 194 HG3 GLN 28 2HG GLN 28 -4.506 7.924 0.354 195 HE21 GLN 28 1HE2 GLN 28 -3.136 8.124 -2.132 196 HE22 GLN 28 2HE2 GLN 28 -1.830 9.281 -1.914 197 H ALA 29 H ALA 29 -3.103 4.736 3.778 198 HA ALA 29 HA ALA 29 -1.710 5.716 6.067 199 HB1 ALA 29 1HB ALA 29 -2.788 3.846 7.231 200 HB2 ALA 29 2HB ALA 29 -3.926 4.632 6.122 201 HB3 ALA 29 3HB ALA 29 -3.182 3.079 5.682 202 H HIS 30 H HIS 30 -0.543 3.499 3.675 203 HA HIS 30 HA HIS 30 1.719 2.571 5.403 204 HB2 HIS 30 1HB HIS 30 0.575 0.879 4.105 205 HB3 HIS 30 2HB HIS 30 0.770 1.802 2.620 206 HD1 HIS 30 1HD HIS 30 2.874 -0.290 5.058 207 HD2 HIS 30 2HD HIS 30 3.127 1.814 1.426 208 HE1 HIS 30 1HE HIS 30 5.154 -0.853 4.093 209 H LEU 31 H LEU 31 1.091 4.791 2.619 210 HA LEU 31 HA LEU 31 3.832 5.293 2.026 211 HB2 LEU 31 1HB LEU 31 1.573 7.311 1.921 212 HB3 LEU 31 2HB LEU 31 3.130 7.451 1.125 213 HG LEU 31 HG LEU 31 0.872 5.558 0.427 214 HD11 LEU 31 1HD1 LEU 31 0.720 7.872 -0.397 215 HD12 LEU 31 2HD1 LEU 31 0.928 6.703 -1.711 216 HD13 LEU 31 3HD1 LEU 31 2.306 7.691 -1.178 217 HD21 LEU 31 3HD2 LEU 31 2.290 4.724 -1.413 218 HD22 LEU 31 1HD2 LEU 31 2.926 4.254 0.162 219 HD23 LEU 31 2HD2 LEU 31 3.682 5.598 -0.726 220 H LYS 32 H LYS 32 1.810 6.761 4.570 221 HA LYS 32 HA LYS 32 3.692 8.696 5.466 222 HB2 LYS 32 1HB LYS 32 2.370 8.879 7.459 223 HB3 LYS 32 2HB LYS 32 1.318 8.739 6.048 224 HG2 LYS 32 1HG LYS 32 0.897 6.363 6.580 225 HG3 LYS 32 2HG LYS 32 1.987 6.465 7.978 226 HD2 LYS 32 1HD LYS 32 0.510 8.244 8.949 227 HD3 LYS 32 2HD LYS 32 -0.616 8.006 7.593 228 HE2 LYS 32 1HE LYS 32 -0.883 5.618 8.250 229 HE3 LYS 32 2HE LYS 32 0.256 5.851 9.577 230 HZ1 LYS 32 3HZ LYS 32 -2.356 7.253 9.324 231 HZ2 LYS 32 1HZ LYS 32 -1.296 7.457 10.551 232 HZ3 LYS 32 2HZ LYS 32 -2.040 6.021 10.348 233 H VAL 33 H VAL 33 3.777 5.286 5.968 234 HA VAL 33 HA VAL 33 5.464 5.089 8.274 235 HB VAL 33 HB VAL 33 5.301 3.282 5.826 236 HG11 VAL 33 1HG1 VAL 33 6.092 2.626 8.662 237 HG12 VAL 33 2HG1 VAL 33 5.827 1.466 7.332 238 HG13 VAL 33 3HG1 VAL 33 7.153 2.635 7.225 239 HG21 VAL 33 3HG2 VAL 33 3.693 3.075 8.419 240 HG22 VAL 33 1HG2 VAL 33 3.019 3.647 6.885 241 HG23 VAL 33 2HG2 VAL 33 3.608 1.990 7.006 242 H HIS 34 H HIS 34 6.096 5.821 4.864 243 HA HIS 34 HA HIS 34 9.022 5.612 5.184 244 HB2 HIS 34 1HB HIS 34 7.309 6.303 2.771 245 HB3 HIS 34 2HB HIS 34 9.043 5.986 2.768 246 HD1 HIS 34 1HD HIS 34 9.541 3.350 4.023 247 HD2 HIS 34 2HD HIS 34 5.927 4.227 2.048 248 HE1 HIS 34 1HE HIS 34 8.517 1.104 3.415 249 H THR 35 H THR 35 6.567 8.190 4.977 250 HA THR 35 HA THR 35 8.600 10.297 4.691 251 HB THR 35 HB THR 35 6.792 11.872 4.891 252 HG1 THR 35 1HG THR 35 4.684 11.138 5.205 253 HG21 THR 35 3HG2 THR 35 7.126 10.749 2.685 254 HG22 THR 35 1HG2 THR 35 5.458 11.280 2.956 255 HG23 THR 35 2HG2 THR 35 5.875 9.563 3.123 256 H ALA 36 H ALA 36 6.802 8.812 7.346 257 HA ALA 36 HA ALA 36 6.913 8.967 9.571 258 HB1 ALA 36 1HB ALA 36 9.845 9.569 9.059 259 HB2 ALA 36 2HB ALA 36 9.143 8.896 10.546 260 HB3 ALA 36 3HB ALA 36 9.088 7.959 9.041 261 H LEU 37 H LEU 37 5.830 11.280 8.536 262 HA LEU 37 HA LEU 37 6.955 13.611 9.923 263 HB2 LEU 37 1HB LEU 37 4.517 13.299 8.136 264 HB3 LEU 37 2HB LEU 37 5.110 14.818 8.803 265 HG LEU 37 HG LEU 37 6.616 13.037 6.840 266 HD11 LEU 37 1HD1 LEU 37 4.670 14.185 5.854 267 HD12 LEU 37 2HD1 LEU 37 6.194 14.836 5.230 268 HD13 LEU 37 3HD1 LEU 37 5.279 15.743 6.456 269 HD21 LEU 37 3HD2 LEU 37 7.340 15.773 7.976 270 HD22 LEU 37 1HD2 LEU 37 8.163 14.977 6.615 271 HD23 LEU 37 2HD2 LEU 37 8.230 14.249 8.219 272 H ASP 38 H ASP 38 6.591 13.853 11.891 273 HA ASP 38 HA ASP 38 3.888 13.555 13.141 274 HB2 ASP 38 1HB ASP 38 5.269 11.638 13.798 275 HB3 ASP 38 2HB ASP 38 6.549 12.714 14.345 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -0.129 -13.261 5.497 2 H2 GLY 1 2H GLY 1 -1.636 -13.151 4.863 3 H3 GLY 1 3H GLY 1 -0.703 -11.811 4.990 4 HA2 GLY 1 1HA GLY 1 0.884 -12.688 3.401 5 HA3 GLY 1 2HA GLY 1 -0.143 -14.126 3.252 6 H SER 2 H SER 2 -0.581 -13.841 1.059 7 HA SER 2 HA SER 2 -1.657 -11.357 -0.027 8 HB2 SER 2 1HB SER 2 -0.242 -13.047 -1.269 9 HB3 SER 2 2HB SER 2 -1.669 -14.102 -1.315 10 HG SER 2 HG SER 2 -1.446 -12.749 -3.189 11 H SER 3 H SER 3 -3.733 -11.369 -1.282 12 HA SER 3 HA SER 3 -5.960 -11.717 0.458 13 HB2 SER 3 1HB SER 3 -5.917 -11.263 -2.550 14 HB3 SER 3 2HB SER 3 -7.313 -11.032 -1.481 15 HG SER 3 HG SER 3 -6.225 -9.063 -1.848 16 H GLY 4 H GLY 4 -7.698 -13.119 0.483 17 HA2 GLY 4 1HA GLY 4 -7.258 -15.860 -0.269 18 HA3 GLY 4 2HA GLY 4 -8.725 -15.174 0.429 19 H SER 5 H SER 5 -8.667 -13.263 -2.052 20 HA SER 5 HA SER 5 -9.621 -15.104 -4.197 21 HB2 SER 5 1HB SER 5 -11.092 -12.632 -3.199 22 HB3 SER 5 2HB SER 5 -11.518 -13.580 -4.634 23 HG SER 5 HG SER 5 -12.755 -14.178 -2.787 24 H SER 6 H SER 6 -9.495 -14.252 -6.312 25 HA SER 6 HA SER 6 -7.243 -12.591 -6.850 26 HB2 SER 6 1HB SER 6 -9.485 -13.434 -8.723 27 HB3 SER 6 2HB SER 6 -7.890 -12.817 -9.199 28 HG SER 6 HG SER 6 -7.981 -15.117 -9.235 29 H GLY 7 H GLY 7 -7.032 -10.556 -7.766 30 HA2 GLY 7 1HA GLY 7 -9.072 -8.791 -8.610 31 HA3 GLY 7 2HA GLY 7 -8.765 -8.468 -6.900 32 H ILE 8 H ILE 8 -8.280 -6.380 -8.337 33 HA ILE 8 HA ILE 8 -5.431 -6.289 -9.198 34 HB ILE 8 HB ILE 8 -7.570 -4.150 -9.394 35 HG12 ILE 8 1HG1 ILE 8 -8.255 -5.974 -10.826 36 HG13 ILE 8 2HG1 ILE 8 -7.671 -4.638 -11.797 37 HG21 ILE 8 1HG2 ILE 8 -4.762 -4.325 -10.573 38 HG22 ILE 8 2HG2 ILE 8 -5.980 -3.115 -11.027 39 HG23 ILE 8 3HG2 ILE 8 -5.359 -3.155 -9.379 40 HD11 ILE 8 3HD1 ILE 8 -5.524 -5.845 -12.188 41 HD12 ILE 8 1HD1 ILE 8 -6.124 -7.204 -11.205 42 HD13 ILE 8 2HD1 ILE 8 -6.932 -6.776 -12.721 43 H LEU 9 H LEU 9 -3.924 -5.740 -7.809 44 HA LEU 9 HA LEU 9 -4.566 -4.148 -5.382 45 HB2 LEU 9 1HB LEU 9 -2.360 -6.137 -6.023 46 HB3 LEU 9 2HB LEU 9 -2.252 -4.981 -4.702 47 HG LEU 9 HG LEU 9 -4.398 -5.862 -3.783 48 HD11 LEU 9 1HD1 LEU 9 -4.993 -8.235 -4.359 49 HD12 LEU 9 2HD1 LEU 9 -3.948 -8.104 -5.791 50 HD13 LEU 9 3HD1 LEU 9 -5.396 -7.082 -5.621 51 HD21 LEU 9 3HD2 LEU 9 -2.219 -6.467 -2.842 52 HD22 LEU 9 1HD2 LEU 9 -2.076 -7.812 -3.997 53 HD23 LEU 9 2HD2 LEU 9 -3.335 -7.831 -2.742 54 H LEU 10 H LEU 10 -3.424 -2.436 -4.766 55 HA LEU 10 HA LEU 10 -1.776 -0.933 -6.725 56 HB2 LEU 10 1HB LEU 10 -2.765 -0.095 -3.975 57 HB3 LEU 10 2HB LEU 10 -2.113 0.943 -5.247 58 HG LEU 10 HG LEU 10 -4.801 -0.502 -5.318 59 HD11 LEU 10 1HD1 LEU 10 -4.116 2.442 -4.958 60 HD12 LEU 10 2HD1 LEU 10 -4.697 1.336 -3.691 61 HD13 LEU 10 3HD1 LEU 10 -5.748 1.742 -5.058 62 HD21 LEU 10 3HD2 LEU 10 -3.900 -0.205 -7.599 63 HD22 LEU 10 1HD2 LEU 10 -3.580 1.513 -7.262 64 HD23 LEU 10 2HD2 LEU 10 -5.249 0.902 -7.311 65 H LYS 11 H LYS 11 0.323 -0.138 -6.032 66 HA LYS 11 HA LYS 11 1.608 -1.792 -3.899 67 HB2 LYS 11 1HB LYS 11 2.084 -2.002 -6.693 68 HB3 LYS 11 2HB LYS 11 3.453 -1.090 -6.054 69 HG2 LYS 11 1HG LYS 11 3.592 -2.918 -4.219 70 HG3 LYS 11 2HG LYS 11 2.418 -3.813 -5.193 71 HD2 LYS 11 1HD LYS 11 4.587 -4.669 -5.662 72 HD3 LYS 11 2HD LYS 11 4.090 -3.757 -7.099 73 HE2 LYS 11 1HE LYS 11 5.527 -1.898 -6.509 74 HE3 LYS 11 2HE LYS 11 5.774 -2.524 -4.873 75 HZ1 LYS 11 3HZ LYS 11 7.686 -2.993 -6.290 76 HZ2 LYS 11 1HZ LYS 11 6.767 -3.862 -7.328 77 HZ3 LYS 11 2HZ LYS 11 6.991 -4.388 -5.787 78 H CYS 12 H CYS 12 3.267 -1.004 -2.735 79 HA CYS 12 HA CYS 12 3.500 1.812 -2.281 80 HB2 CYS 12 1HB CYS 12 3.807 0.023 -0.614 81 HB3 CYS 12 2HB CYS 12 5.278 -0.505 -1.461 82 HA PRO 13 HA PRO 13 6.461 2.468 -5.622 83 HB2 PRO 13 1HB PRO 13 6.746 5.151 -5.508 84 HB3 PRO 13 2HB PRO 13 5.164 4.400 -5.883 85 HG2 PRO 13 1HG PRO 13 6.150 5.405 -3.185 86 HG3 PRO 13 2HG PRO 13 4.603 5.790 -4.006 87 HD2 PRO 13 1HD PRO 13 4.840 3.799 -2.127 88 HD3 PRO 13 2HD PRO 13 3.703 3.686 -3.505 89 H THR 14 H THR 14 7.317 2.931 -2.289 90 HA THR 14 HA THR 14 9.801 4.293 -2.645 91 HB THR 14 HB THR 14 8.899 2.629 -0.270 92 HG1 THR 14 1HG THR 14 8.096 4.598 0.452 93 HG21 THR 14 3HG2 THR 14 10.292 4.284 1.014 94 HG22 THR 14 1HG2 THR 14 10.908 4.917 -0.525 95 HG23 THR 14 2HG2 THR 14 11.257 3.242 -0.032 96 H ASP 15 H ASP 15 11.929 3.640 -2.698 97 HA ASP 15 HA ASP 15 12.573 1.141 -3.879 98 HB2 ASP 15 1HB ASP 15 13.915 3.174 -4.152 99 HB3 ASP 15 2HB ASP 15 14.343 3.150 -2.441 100 H GLY 16 H GLY 16 13.230 -0.795 -3.124 101 HA2 GLY 16 1HA GLY 16 13.792 -2.503 -1.674 102 HA3 GLY 16 2HA GLY 16 14.033 -1.331 -0.379 103 H CYS 17 H CYS 17 10.970 -0.652 -1.415 104 HA CYS 17 HA CYS 17 9.647 -2.484 0.521 105 HB2 CYS 17 1HB CYS 17 9.591 0.064 0.728 106 HB3 CYS 17 2HB CYS 17 8.532 0.043 -0.697 107 H ASP 18 H ASP 18 7.814 -3.604 -0.054 108 HA ASP 18 HA ASP 18 6.982 -3.755 -2.892 109 HB2 ASP 18 1HB ASP 18 8.922 -5.363 -2.446 110 HB3 ASP 18 2HB ASP 18 7.825 -6.262 -1.400 111 H TYR 19 H TYR 19 5.829 -3.002 -0.163 112 HA TYR 19 HA TYR 19 3.708 -4.780 0.543 113 HB2 TYR 19 1HB TYR 19 4.421 -3.044 2.038 114 HB3 TYR 19 2HB TYR 19 4.167 -1.802 0.831 115 HD1 TYR 19 1HD TYR 19 1.893 -0.974 0.285 116 HD2 TYR 19 2HD TYR 19 2.526 -3.985 3.315 117 HE1 TYR 19 1HE TYR 19 -0.386 -0.569 1.167 118 HE2 TYR 19 2HE TYR 19 0.225 -3.590 4.179 119 HH TYR 19 HH TYR 19 -1.712 -2.387 3.957 120 H SER 20 H SER 20 1.648 -5.033 -0.172 121 HA SER 20 HA SER 20 0.544 -3.203 -2.207 122 HB2 SER 20 1HB SER 20 -0.268 -5.095 -3.570 123 HB3 SER 20 2HB SER 20 1.503 -4.996 -3.517 124 HG SER 20 HG SER 20 0.813 -7.140 -3.211 125 H THR 21 H THR 21 -1.678 -3.134 -2.416 126 HA THR 21 HA THR 21 -3.449 -4.695 -0.685 127 HB THR 21 HB THR 21 -2.715 -3.099 0.956 128 HG1 THR 21 1HG THR 21 -4.773 -3.302 1.327 129 HG21 THR 21 3HG2 THR 21 -1.890 -1.269 -0.526 130 HG22 THR 21 1HG2 THR 21 -2.983 -0.701 0.743 131 HG23 THR 21 2HG2 THR 21 -3.571 -0.861 -0.923 132 HA PRO 22 HA PRO 22 -6.129 -3.386 -4.062 133 HB2 PRO 22 1HB PRO 22 -8.574 -4.222 -3.224 134 HB3 PRO 22 2HB PRO 22 -7.271 -5.359 -3.683 135 HG2 PRO 22 1HG PRO 22 -8.015 -4.419 -0.892 136 HG3 PRO 22 2HG PRO 22 -7.786 -6.105 -1.463 137 HD2 PRO 22 1HD PRO 22 -5.809 -4.722 -0.207 138 HD3 PRO 22 2HD PRO 22 -5.435 -5.854 -1.529 139 H ASP 23 H ASP 23 -6.126 -1.865 -0.983 140 HA ASP 23 HA ASP 23 -8.289 0.047 -1.759 141 HB2 ASP 23 1HB ASP 23 -8.443 -1.333 0.418 142 HB3 ASP 23 2HB ASP 23 -7.104 -0.374 0.961 143 H LYS 24 H LYS 24 -7.868 2.088 -2.205 144 HA LYS 24 HA LYS 24 -5.313 3.303 -2.437 145 HB2 LYS 24 1HB LYS 24 -7.281 4.060 -3.662 146 HB3 LYS 24 2HB LYS 24 -8.149 4.387 -2.160 147 HG2 LYS 24 1HG LYS 24 -6.538 6.235 -1.647 148 HG3 LYS 24 2HG LYS 24 -5.751 5.949 -3.214 149 HD2 LYS 24 1HD LYS 24 -7.828 6.524 -4.389 150 HD3 LYS 24 2HD LYS 24 -8.717 6.572 -2.855 151 HE2 LYS 24 1HE LYS 24 -7.131 8.420 -2.106 152 HE3 LYS 24 2HE LYS 24 -6.526 8.477 -3.769 153 HZ1 LYS 24 3HZ LYS 24 -8.834 8.968 -4.476 154 HZ2 LYS 24 1HZ LYS 24 -8.295 10.101 -3.433 155 HZ3 LYS 24 2HZ LYS 24 -9.338 8.953 -2.915 156 H TYR 25 H TYR 25 -7.600 3.449 0.325 157 HA TYR 25 HA TYR 25 -5.964 5.500 1.639 158 HB2 TYR 25 1HB TYR 25 -8.467 4.099 2.612 159 HB3 TYR 25 2HB TYR 25 -7.713 5.528 3.311 160 HD1 TYR 25 1HD TYR 25 -7.436 7.625 1.796 161 HD2 TYR 25 2HD TYR 25 -10.053 4.332 0.833 162 HE1 TYR 25 1HE TYR 25 -8.612 9.047 0.124 163 HE2 TYR 25 2HE TYR 25 -11.236 5.760 -0.830 164 HH TYR 25 HH TYR 25 -11.369 7.825 -1.815 165 H LYS 26 H LYS 26 -6.490 1.983 1.940 166 HA LYS 26 HA LYS 26 -4.779 1.639 4.267 167 HB2 LYS 26 1HB LYS 26 -5.219 -0.283 1.950 168 HB3 LYS 26 2HB LYS 26 -4.467 -0.674 3.483 169 HG2 LYS 26 1HG LYS 26 -6.582 -0.106 4.684 170 HG3 LYS 26 2HG LYS 26 -7.372 0.189 3.145 171 HD2 LYS 26 1HD LYS 26 -6.875 -2.185 2.475 172 HD3 LYS 26 2HD LYS 26 -6.138 -2.446 4.069 173 HE2 LYS 26 1HE LYS 26 -8.295 -1.834 5.156 174 HE3 LYS 26 2HE LYS 26 -9.029 -1.595 3.564 175 HZ1 LYS 26 3HZ LYS 26 -7.943 -4.176 4.570 176 HZ2 LYS 26 1HZ LYS 26 -8.620 -3.957 3.097 177 HZ3 LYS 26 2HZ LYS 26 -9.525 -3.803 4.446 178 H LEU 27 H LEU 27 -4.052 1.857 0.749 179 HA LEU 27 HA LEU 27 -1.234 1.547 1.079 180 HB2 LEU 27 1HB LEU 27 -2.425 1.343 -1.095 181 HB3 LEU 27 2HB LEU 27 -2.733 3.073 -1.074 182 HG LEU 27 HG LEU 27 -0.339 3.576 -1.198 183 HD11 LEU 27 1HD1 LEU 27 0.680 1.684 -0.016 184 HD12 LEU 27 2HD1 LEU 27 1.303 1.762 -1.659 185 HD13 LEU 27 3HD1 LEU 27 0.070 0.549 -1.250 186 HD21 LEU 27 3HD2 LEU 27 0.065 2.800 -3.458 187 HD22 LEU 27 1HD2 LEU 27 -1.663 3.165 -3.274 188 HD23 LEU 27 2HD2 LEU 27 -1.100 1.477 -3.246 189 H GLN 28 H GLN 28 -3.206 4.602 0.971 190 HA GLN 28 HA GLN 28 -1.055 6.401 1.385 191 HB2 GLN 28 1HB GLN 28 -3.975 6.499 2.257 192 HB3 GLN 28 2HB GLN 28 -2.841 7.827 2.546 193 HG2 GLN 28 1HG GLN 28 -2.308 7.921 0.164 194 HG3 GLN 28 2HG GLN 28 -3.494 6.681 -0.203 195 HE21 GLN 28 1HE2 GLN 28 -3.859 8.967 -1.577 196 HE22 GLN 28 2HE2 GLN 28 -5.156 9.928 -0.877 197 H ALA 29 H ALA 29 -2.972 4.690 3.831 198 HA ALA 29 HA ALA 29 -1.577 5.612 6.137 199 HB1 ALA 29 1HB ALA 29 -3.757 4.458 6.184 200 HB2 ALA 29 2HB ALA 29 -2.973 2.943 5.683 201 HB3 ALA 29 3HB ALA 29 -2.580 3.670 7.254 202 H HIS 30 H HIS 30 -0.539 3.210 3.752 203 HA HIS 30 HA HIS 30 1.819 2.424 5.398 204 HB2 HIS 30 1HB HIS 30 0.669 0.693 4.125 205 HB3 HIS 30 2HB HIS 30 0.878 1.599 2.627 206 HD1 HIS 30 1HD HIS 30 2.950 -0.464 5.124 207 HD2 HIS 30 2HD HIS 30 3.285 1.647 1.509 208 HE1 HIS 30 1HE HIS 30 5.267 -0.997 4.229 209 H LEU 31 H LEU 31 1.131 4.572 2.551 210 HA LEU 31 HA LEU 31 3.867 5.176 1.979 211 HB2 LEU 31 1HB LEU 31 1.491 7.057 1.909 212 HB3 LEU 31 2HB LEU 31 3.050 7.360 1.159 213 HG LEU 31 HG LEU 31 1.065 5.205 0.340 214 HD11 LEU 31 1HD1 LEU 31 0.838 6.520 -1.697 215 HD12 LEU 31 2HD1 LEU 31 2.006 7.714 -1.086 216 HD13 LEU 31 3HD1 LEU 31 0.435 7.508 -0.283 217 HD21 LEU 31 3HD2 LEU 31 2.552 4.821 -1.586 218 HD22 LEU 31 1HD2 LEU 31 3.324 4.363 -0.067 219 HD23 LEU 31 2HD2 LEU 31 3.772 5.894 -0.859 220 H LYS 32 H LYS 32 1.743 6.428 4.526 221 HA LYS 32 HA LYS 32 3.453 8.356 5.702 222 HB2 LYS 32 1HB LYS 32 1.315 6.551 6.886 223 HB3 LYS 32 2HB LYS 32 2.143 7.806 7.817 224 HG2 LYS 32 1HG LYS 32 1.392 9.542 6.255 225 HG3 LYS 32 2HG LYS 32 0.568 8.334 5.261 226 HD2 LYS 32 1HD LYS 32 -0.893 7.746 7.189 227 HD3 LYS 32 2HD LYS 32 -0.071 8.978 8.173 228 HE2 LYS 32 1HE LYS 32 -0.765 10.724 6.531 229 HE3 LYS 32 2HE LYS 32 -1.608 9.492 5.583 230 HZ1 LYS 32 3HZ LYS 32 -3.130 10.666 7.069 231 HZ2 LYS 32 1HZ LYS 32 -2.269 10.239 8.385 232 HZ3 LYS 32 2HZ LYS 32 -3.053 9.099 7.515 233 H VAL 33 H VAL 33 3.942 4.850 5.808 234 HA VAL 33 HA VAL 33 5.680 4.981 8.134 235 HB VAL 33 HB VAL 33 6.189 2.822 7.851 236 HG11 VAL 33 1HG1 VAL 33 3.844 3.040 8.346 237 HG12 VAL 33 2HG1 VAL 33 3.470 2.889 6.620 238 HG13 VAL 33 3HG1 VAL 33 4.217 1.536 7.478 239 HG21 VAL 33 3HG2 VAL 33 5.971 1.367 5.912 240 HG22 VAL 33 1HG2 VAL 33 5.659 2.797 4.919 241 HG23 VAL 33 2HG2 VAL 33 7.204 2.613 5.753 242 H HIS 34 H HIS 34 6.054 5.769 4.820 243 HA HIS 34 HA HIS 34 9.027 5.861 4.964 244 HB2 HIS 34 1HB HIS 34 7.168 6.179 2.581 245 HB3 HIS 34 2HB HIS 34 8.920 6.031 2.545 246 HD1 HIS 34 1HD HIS 34 9.804 3.502 3.618 247 HD2 HIS 34 2HD HIS 34 5.810 3.958 2.405 248 HE1 HIS 34 1HE HIS 34 8.902 1.151 3.298 249 H THR 35 H THR 35 6.188 7.996 4.335 250 HA THR 35 HA THR 35 7.886 10.294 3.763 251 HB THR 35 HB THR 35 5.786 11.539 3.542 252 HG1 THR 35 1HG THR 35 3.850 10.452 3.786 253 HG21 THR 35 3HG2 THR 35 4.871 10.344 1.626 254 HG22 THR 35 1HG2 THR 35 5.660 8.837 2.135 255 HG23 THR 35 2HG2 THR 35 6.638 10.225 1.618 256 H ALA 36 H ALA 36 6.825 9.021 6.750 257 HA ALA 36 HA ALA 36 6.709 11.530 8.213 258 HB1 ALA 36 1HB ALA 36 6.972 8.643 9.138 259 HB2 ALA 36 2HB ALA 36 6.660 10.045 10.186 260 HB3 ALA 36 3HB ALA 36 5.467 9.577 8.961 261 H LEU 37 H LEU 37 8.631 12.529 7.407 262 HA LEU 37 HA LEU 37 11.052 11.953 9.001 263 HB2 LEU 37 1HB LEU 37 11.332 10.800 6.822 264 HB3 LEU 37 2HB LEU 37 10.958 12.300 5.974 265 HG LEU 37 HG LEU 37 13.021 13.342 6.906 266 HD11 LEU 37 1HD1 LEU 37 13.551 10.553 8.034 267 HD12 LEU 37 2HD1 LEU 37 13.318 12.042 8.978 268 HD13 LEU 37 3HD1 LEU 37 14.739 11.873 7.949 269 HD21 LEU 37 3HD2 LEU 37 13.480 10.681 5.494 270 HD22 LEU 37 1HD2 LEU 37 14.607 12.057 5.539 271 HD23 LEU 37 2HD2 LEU 37 13.050 12.219 4.713 272 H ASP 38 H ASP 38 11.886 13.749 9.812 273 HA ASP 38 HA ASP 38 10.664 16.363 9.315 274 HB2 ASP 38 1HB ASP 38 11.785 17.088 11.275 275 HB3 ASP 38 2HB ASP 38 11.050 15.530 11.598 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -14.288 -11.952 -2.511 2 H2 GLY 1 2H GLY 1 -15.448 -13.110 -2.555 3 H3 GLY 1 3H GLY 1 -15.219 -12.124 -3.847 4 HA2 GLY 1 1HA GLY 1 -13.275 -14.106 -2.852 5 HA3 GLY 1 2HA GLY 1 -14.301 -14.313 -4.283 6 H SER 2 H SER 2 -11.351 -14.290 -4.069 7 HA SER 2 HA SER 2 -10.167 -11.854 -4.770 8 HB2 SER 2 1HB SER 2 -9.221 -14.640 -5.537 9 HB3 SER 2 2HB SER 2 -8.216 -13.190 -5.368 10 HG SER 2 HG SER 2 -8.679 -13.162 -3.152 11 H SER 3 H SER 3 -11.909 -13.982 -6.937 12 HA SER 3 HA SER 3 -10.783 -12.934 -9.404 13 HB2 SER 3 1HB SER 3 -13.383 -14.439 -8.945 14 HB3 SER 3 2HB SER 3 -12.547 -14.208 -10.492 15 HG SER 3 HG SER 3 -12.080 -16.253 -9.557 16 H GLY 4 H GLY 4 -12.912 -11.495 -7.184 17 HA2 GLY 4 1HA GLY 4 -14.704 -10.112 -9.019 18 HA3 GLY 4 2HA GLY 4 -14.513 -9.840 -7.293 19 H SER 5 H SER 5 -14.900 -7.609 -8.217 20 HA SER 5 HA SER 5 -12.851 -6.169 -9.601 21 HB2 SER 5 1HB SER 5 -15.250 -5.473 -9.342 22 HB3 SER 5 2HB SER 5 -14.889 -5.024 -7.662 23 HG SER 5 HG SER 5 -14.692 -3.259 -9.156 24 H SER 6 H SER 6 -11.320 -4.672 -8.848 25 HA SER 6 HA SER 6 -9.376 -4.279 -7.776 26 HB2 SER 6 1HB SER 6 -11.057 -4.289 -5.256 27 HB3 SER 6 2HB SER 6 -9.449 -3.569 -5.449 28 HG SER 6 HG SER 6 -11.128 -2.024 -5.710 29 H GLY 7 H GLY 7 -10.137 -7.199 -8.078 30 HA2 GLY 7 1HA GLY 7 -8.916 -8.720 -5.988 31 HA3 GLY 7 2HA GLY 7 -9.171 -9.227 -7.662 32 H ILE 8 H ILE 8 -7.518 -6.997 -8.734 33 HA ILE 8 HA ILE 8 -4.779 -8.013 -8.181 34 HB ILE 8 HB ILE 8 -5.720 -5.986 -10.236 35 HG12 ILE 8 1HG1 ILE 8 -6.675 -8.120 -10.844 36 HG13 ILE 8 2HG1 ILE 8 -5.363 -7.726 -11.932 37 HG21 ILE 8 1HG2 ILE 8 -3.023 -7.349 -9.832 38 HG22 ILE 8 2HG2 ILE 8 -3.475 -6.395 -11.261 39 HG23 ILE 8 3HG2 ILE 8 -3.388 -5.619 -9.679 40 HD11 ILE 8 3HD1 ILE 8 -5.223 -9.741 -9.641 41 HD12 ILE 8 1HD1 ILE 8 -5.339 -10.101 -11.370 42 HD13 ILE 8 2HD1 ILE 8 -3.876 -9.336 -10.734 43 H LEU 9 H LEU 9 -3.473 -6.997 -6.810 44 HA LEU 9 HA LEU 9 -4.546 -4.813 -5.245 45 HB2 LEU 9 1HB LEU 9 -1.796 -6.060 -4.999 46 HB3 LEU 9 2HB LEU 9 -2.693 -5.166 -3.780 47 HG LEU 9 HG LEU 9 -3.206 -7.966 -4.811 48 HD11 LEU 9 1HD1 LEU 9 -2.918 -8.568 -2.443 49 HD12 LEU 9 2HD1 LEU 9 -2.633 -6.860 -2.037 50 HD13 LEU 9 3HD1 LEU 9 -1.500 -7.737 -3.091 51 HD21 LEU 9 3HD2 LEU 9 -5.440 -6.944 -4.533 52 HD22 LEU 9 1HD2 LEU 9 -4.966 -6.351 -2.927 53 HD23 LEU 9 2HD2 LEU 9 -5.127 -8.092 -3.232 54 H LEU 10 H LEU 10 -3.563 -2.883 -4.685 55 HA LEU 10 HA LEU 10 -1.952 -1.465 -6.729 56 HB2 LEU 10 1HB LEU 10 -2.917 -0.502 -4.008 57 HB3 LEU 10 2HB LEU 10 -2.325 0.478 -5.350 58 HG LEU 10 HG LEU 10 -4.961 -1.065 -5.316 59 HD11 LEU 10 1HD1 LEU 10 -5.988 1.148 -5.133 60 HD12 LEU 10 2HD1 LEU 10 -4.382 1.915 -5.082 61 HD13 LEU 10 3HD1 LEU 10 -4.905 0.842 -3.764 62 HD21 LEU 10 3HD2 LEU 10 -3.835 0.920 -7.344 63 HD22 LEU 10 1HD2 LEU 10 -5.478 0.242 -7.353 64 HD23 LEU 10 2HD2 LEU 10 -4.089 -0.821 -7.614 65 H LYS 11 H LYS 11 0.177 -0.602 -6.123 66 HA LYS 11 HA LYS 11 1.480 -1.987 -3.809 67 HB2 LYS 11 1HB LYS 11 2.625 -1.640 -6.605 68 HB3 LYS 11 2HB LYS 11 3.510 -2.194 -5.185 69 HG2 LYS 11 1HG LYS 11 1.675 -4.039 -4.991 70 HG3 LYS 11 2HG LYS 11 1.226 -3.578 -6.631 71 HD2 LYS 11 1HD LYS 11 2.693 -5.460 -6.785 72 HD3 LYS 11 2HD LYS 11 3.609 -4.051 -7.345 73 HE2 LYS 11 1HE LYS 11 4.708 -3.889 -5.112 74 HE3 LYS 11 2HE LYS 11 3.750 -5.255 -4.532 75 HZ1 LYS 11 3HZ LYS 11 4.860 -6.650 -6.190 76 HZ2 LYS 11 1HZ LYS 11 5.970 -5.946 -5.216 77 HZ3 LYS 11 2HZ LYS 11 5.742 -5.382 -6.733 78 H CYS 12 H CYS 12 3.163 -1.079 -2.812 79 HA CYS 12 HA CYS 12 3.242 1.761 -2.502 80 HB2 CYS 12 1HB CYS 12 3.738 0.085 -0.793 81 HB3 CYS 12 2HB CYS 12 5.210 -0.380 -1.669 82 HA PRO 13 HA PRO 13 6.079 2.551 -5.946 83 HB2 PRO 13 1HB PRO 13 6.161 5.253 -5.876 84 HB3 PRO 13 2HB PRO 13 4.644 4.381 -6.254 85 HG2 PRO 13 1HG PRO 13 5.523 5.497 -3.564 86 HG3 PRO 13 2HG PRO 13 3.960 5.755 -4.407 87 HD2 PRO 13 1HD PRO 13 4.328 3.813 -2.493 88 HD3 PRO 13 2HD PRO 13 3.210 3.596 -3.875 89 H THR 14 H THR 14 6.871 2.884 -2.649 90 HA THR 14 HA THR 14 9.248 4.506 -2.873 91 HB THR 14 HB THR 14 8.587 2.650 -0.566 92 HG1 THR 14 1HG THR 14 6.793 3.839 -0.768 93 HG21 THR 14 3HG2 THR 14 9.667 4.485 0.747 94 HG22 THR 14 1HG2 THR 14 10.084 5.304 -0.770 95 HG23 THR 14 2HG2 THR 14 10.784 3.713 -0.378 96 H ASP 15 H ASP 15 11.429 3.960 -2.926 97 HA ASP 15 HA ASP 15 12.152 1.434 -4.081 98 HB2 ASP 15 1HB ASP 15 14.407 2.208 -4.021 99 HB3 ASP 15 2HB ASP 15 13.358 3.510 -4.563 100 H GLY 16 H GLY 16 13.154 -0.354 -3.261 101 HA2 GLY 16 1HA GLY 16 13.827 -1.940 -1.729 102 HA3 GLY 16 2HA GLY 16 13.930 -0.696 -0.485 103 H CYS 17 H CYS 17 10.842 -0.348 -1.563 104 HA CYS 17 HA CYS 17 9.663 -2.120 0.503 105 HB2 CYS 17 1HB CYS 17 9.361 0.424 0.365 106 HB3 CYS 17 2HB CYS 17 8.314 0.101 -1.031 107 H ASP 18 H ASP 18 7.837 -3.366 0.041 108 HA ASP 18 HA ASP 18 7.157 -4.001 -2.773 109 HB2 ASP 18 1HB ASP 18 9.087 -5.465 -2.051 110 HB3 ASP 18 2HB ASP 18 8.031 -6.162 -0.820 111 H TYR 19 H TYR 19 5.873 -2.866 -0.208 112 HA TYR 19 HA TYR 19 3.799 -4.632 0.659 113 HB2 TYR 19 1HB TYR 19 4.485 -2.754 1.978 114 HB3 TYR 19 2HB TYR 19 4.156 -1.629 0.676 115 HD1 TYR 19 2HD TYR 19 2.657 -3.726 3.329 116 HD2 TYR 19 1HD TYR 19 1.847 -0.876 0.183 117 HE1 TYR 19 2HE TYR 19 0.391 -3.298 4.281 118 HE2 TYR 19 1HE TYR 19 -0.381 -0.430 1.157 119 HH TYR 19 HH TYR 19 -1.841 -0.880 2.880 120 H SER 20 H SER 20 1.680 -4.846 0.113 121 HA SER 20 HA SER 20 0.550 -3.371 -2.158 122 HB2 SER 20 1HB SER 20 -0.184 -5.431 -3.294 123 HB3 SER 20 2HB SER 20 1.581 -5.305 -3.207 124 HG SER 20 HG SER 20 0.966 -7.394 -2.637 125 H THR 21 H THR 21 -1.685 -3.337 -2.297 126 HA THR 21 HA THR 21 -3.395 -4.638 -0.296 127 HB THR 21 HB THR 21 -2.495 -2.824 1.044 128 HG1 THR 21 1HG THR 21 -4.520 -3.026 1.602 129 HG21 THR 21 3HG2 THR 21 -2.849 -0.481 0.526 130 HG22 THR 21 1HG2 THR 21 -3.552 -0.881 -1.048 131 HG23 THR 21 2HG2 THR 21 -1.836 -1.211 -0.727 132 HA PRO 22 HA PRO 22 -6.180 -3.745 -3.704 133 HB2 PRO 22 1HB PRO 22 -8.605 -4.466 -2.729 134 HB3 PRO 22 2HB PRO 22 -7.300 -5.654 -3.021 135 HG2 PRO 22 1HG PRO 22 -8.036 -4.303 -0.398 136 HG3 PRO 22 2HG PRO 22 -7.793 -6.054 -0.705 137 HD2 PRO 22 1HD PRO 22 -5.831 -4.456 0.310 138 HD3 PRO 22 2HD PRO 22 -5.456 -5.807 -0.785 139 H ASP 23 H ASP 23 -6.109 -1.821 -0.877 140 HA ASP 23 HA ASP 23 -8.329 -0.041 -1.809 141 HB2 ASP 23 1HB ASP 23 -8.488 -1.244 0.472 142 HB3 ASP 23 2HB ASP 23 -7.143 -0.259 0.939 143 H LYS 24 H LYS 24 -7.930 2.021 -2.372 144 HA LYS 24 HA LYS 24 -5.239 3.017 -2.553 145 HB2 LYS 24 1HB LYS 24 -6.201 4.993 -3.538 146 HB3 LYS 24 2HB LYS 24 -6.937 3.544 -4.215 147 HG2 LYS 24 1HG LYS 24 -8.959 3.884 -2.836 148 HG3 LYS 24 2HG LYS 24 -8.219 5.301 -2.065 149 HD2 LYS 24 1HD LYS 24 -8.064 6.449 -4.218 150 HD3 LYS 24 2HD LYS 24 -8.762 5.060 -5.058 151 HE2 LYS 24 1HE LYS 24 -10.171 6.662 -2.877 152 HE3 LYS 24 2HE LYS 24 -10.331 6.994 -4.601 153 HZ1 LYS 24 3HZ LYS 24 -11.248 4.762 -4.900 154 HZ2 LYS 24 1HZ LYS 24 -12.143 5.601 -3.828 155 HZ3 LYS 24 2HZ LYS 24 -11.123 4.442 -3.301 156 H TYR 25 H TYR 25 -7.552 3.381 0.049 157 HA TYR 25 HA TYR 25 -6.085 5.694 1.187 158 HB2 TYR 25 1HB TYR 25 -8.449 4.170 2.313 159 HB3 TYR 25 2HB TYR 25 -7.755 5.655 2.932 160 HD1 TYR 25 1HD TYR 25 -7.761 7.752 1.416 161 HD2 TYR 25 2HD TYR 25 -10.147 4.243 0.634 162 HE1 TYR 25 1HE TYR 25 -9.285 9.109 -0.011 163 HE2 TYR 25 2HE TYR 25 -11.692 5.612 -0.765 164 HH TYR 25 HH TYR 25 -11.176 9.117 -1.310 165 H LYS 26 H LYS 26 -6.538 2.175 1.763 166 HA LYS 26 HA LYS 26 -4.767 2.012 4.051 167 HB2 LYS 26 1HB LYS 26 -5.237 -0.067 1.879 168 HB3 LYS 26 2HB LYS 26 -4.465 -0.355 3.424 169 HG2 LYS 26 1HG LYS 26 -6.565 0.297 4.611 170 HG3 LYS 26 2HG LYS 26 -7.376 0.472 3.065 171 HD2 LYS 26 1HD LYS 26 -6.861 -1.946 2.569 172 HD3 LYS 26 2HD LYS 26 -6.111 -2.078 4.173 173 HE2 LYS 26 1HE LYS 26 -8.268 -1.400 5.224 174 HE3 LYS 26 2HE LYS 26 -9.013 -1.296 3.623 175 HZ1 LYS 26 3HZ LYS 26 -7.891 -3.775 4.825 176 HZ2 LYS 26 1HZ LYS 26 -8.582 -3.684 3.345 177 HZ3 LYS 26 2HZ LYS 26 -9.479 -3.431 4.684 178 H LEU 27 H LEU 27 -4.094 2.006 0.538 179 HA LEU 27 HA LEU 27 -1.264 1.708 0.786 180 HB2 LEU 27 1HB LEU 27 -2.498 1.392 -1.319 181 HB3 LEU 27 2HB LEU 27 -2.911 3.110 -1.341 182 HG LEU 27 HG LEU 27 -0.529 3.706 -1.616 183 HD11 LEU 27 1HD1 LEU 27 0.602 1.870 -0.454 184 HD12 LEU 27 2HD1 LEU 27 1.122 1.921 -2.134 185 HD13 LEU 27 3HD1 LEU 27 -0.050 0.690 -1.623 186 HD21 LEU 27 3HD2 LEU 27 -1.938 3.251 -3.607 187 HD22 LEU 27 1HD2 LEU 27 -1.406 1.555 -3.568 188 HD23 LEU 27 2HD2 LEU 27 -0.233 2.851 -3.884 189 H GLN 28 H GLN 28 -3.219 4.747 0.535 190 HA GLN 28 HA GLN 28 -1.079 6.590 0.807 191 HB2 GLN 28 1HB GLN 28 -4.029 6.655 1.541 192 HB3 GLN 28 2HB GLN 28 -2.973 8.035 1.882 193 HG2 GLN 28 1HG GLN 28 -2.329 8.251 -0.379 194 HG3 GLN 28 2HG GLN 28 -3.151 6.780 -0.885 195 HE21 GLN 28 1HE2 GLN 28 -5.463 6.747 -0.994 196 HE22 GLN 28 2HE2 GLN 28 -6.391 8.254 -1.049 197 H ALA 29 H ALA 29 -2.996 5.052 3.345 198 HA ALA 29 HA ALA 29 -1.602 6.148 5.587 199 HB1 ALA 29 1HB ALA 29 -3.811 5.050 5.715 200 HB2 ALA 29 2HB ALA 29 -3.064 3.483 5.329 201 HB3 ALA 29 3HB ALA 29 -2.658 4.312 6.845 202 H HIS 30 H HIS 30 -0.693 3.403 3.484 203 HA HIS 30 HA HIS 30 1.618 2.661 5.179 204 HB2 HIS 30 1HB HIS 30 0.523 0.944 3.881 205 HB3 HIS 30 2HB HIS 30 0.748 1.843 2.384 206 HD1 HIS 30 1HD HIS 30 2.811 -0.216 4.891 207 HD2 HIS 30 2HD HIS 30 3.154 1.894 1.276 208 HE1 HIS 30 1HE HIS 30 5.138 -0.731 4.010 209 H LEU 31 H LEU 31 1.116 4.821 2.318 210 HA LEU 31 HA LEU 31 3.876 5.311 1.826 211 HB2 LEU 31 1HB LEU 31 1.683 7.396 1.752 212 HB3 LEU 31 2HB LEU 31 3.243 7.499 0.963 213 HG LEU 31 HG LEU 31 0.968 5.634 0.228 214 HD11 LEU 31 1HD1 LEU 31 0.941 6.887 -1.856 215 HD12 LEU 31 2HD1 LEU 31 2.295 7.894 -1.295 216 HD13 LEU 31 3HD1 LEU 31 0.719 7.979 -0.478 217 HD21 LEU 31 3HD2 LEU 31 2.348 4.922 -1.681 218 HD22 LEU 31 1HD2 LEU 31 3.057 4.412 -0.149 219 HD23 LEU 31 2HD2 LEU 31 3.737 5.813 -1.010 220 H LYS 32 H LYS 32 1.898 6.416 4.514 221 HA LYS 32 HA LYS 32 3.647 8.403 5.601 222 HB2 LYS 32 1HB LYS 32 1.883 6.562 7.250 223 HB3 LYS 32 2HB LYS 32 2.417 8.190 7.637 224 HG2 LYS 32 1HG LYS 32 0.351 7.360 5.584 225 HG3 LYS 32 2HG LYS 32 0.092 8.233 7.086 226 HD2 LYS 32 1HD LYS 32 1.377 10.178 6.144 227 HD3 LYS 32 2HD LYS 32 1.586 9.269 4.640 228 HE2 LYS 32 1HE LYS 32 -0.209 10.751 4.244 229 HE3 LYS 32 2HE LYS 32 -0.894 9.130 4.385 230 HZ1 LYS 32 3HZ LYS 32 -2.180 10.790 5.633 231 HZ2 LYS 32 1HZ LYS 32 -0.888 11.186 6.544 232 HZ3 LYS 32 2HZ LYS 32 -1.561 9.699 6.674 233 H VAL 33 H VAL 33 3.900 4.847 5.787 234 HA VAL 33 HA VAL 33 5.481 4.766 8.158 235 HB VAL 33 HB VAL 33 5.954 2.560 7.725 236 HG11 VAL 33 1HG1 VAL 33 3.616 2.893 8.140 237 HG12 VAL 33 2HG1 VAL 33 3.311 2.956 6.397 238 HG13 VAL 33 3HG1 VAL 33 3.923 1.467 7.127 239 HG21 VAL 33 3HG2 VAL 33 7.051 2.509 5.635 240 HG22 VAL 33 1HG2 VAL 33 5.747 1.329 5.640 241 HG23 VAL 33 2HG2 VAL 33 5.546 2.863 4.779 242 H HIS 34 H HIS 34 6.344 5.551 4.898 243 HA HIS 34 HA HIS 34 9.218 5.248 5.280 244 HB2 HIS 34 1HB HIS 34 7.571 6.318 2.962 245 HB3 HIS 34 2HB HIS 34 9.297 5.959 2.922 246 HD1 HIS 34 1HD HIS 34 9.848 3.228 3.620 247 HD2 HIS 34 2HD HIS 34 5.965 4.281 2.412 248 HE1 HIS 34 1HE HIS 34 8.685 1.053 3.043 249 H THR 35 H THR 35 7.259 7.543 6.505 250 HA THR 35 HA THR 35 9.512 9.479 6.659 251 HB THR 35 HB THR 35 8.084 10.381 4.936 252 HG1 THR 35 1HG THR 35 9.020 11.879 6.265 253 HG21 THR 35 3HG2 THR 35 5.894 9.425 5.486 254 HG22 THR 35 1HG2 THR 35 5.811 11.183 5.363 255 HG23 THR 35 2HG2 THR 35 5.809 10.418 6.962 256 H ALA 36 H ALA 36 6.454 8.312 8.135 257 HA ALA 36 HA ALA 36 6.761 9.848 10.534 258 HB1 ALA 36 1HB ALA 36 4.855 8.502 11.294 259 HB2 ALA 36 2HB ALA 36 4.607 9.037 9.621 260 HB3 ALA 36 3HB ALA 36 5.098 7.359 9.957 261 H LEU 37 H LEU 37 8.312 6.919 9.577 262 HA LEU 37 HA LEU 37 8.930 6.107 12.370 263 HB2 LEU 37 1HB LEU 37 9.463 4.667 9.752 264 HB3 LEU 37 2HB LEU 37 9.734 4.025 11.368 265 HG LEU 37 HG LEU 37 7.015 4.706 10.167 266 HD11 LEU 37 1HD1 LEU 37 6.664 2.281 10.222 267 HD12 LEU 37 2HD1 LEU 37 8.294 2.037 10.887 268 HD13 LEU 37 3HD1 LEU 37 8.087 2.677 9.243 269 HD21 LEU 37 3HD2 LEU 37 7.718 3.503 12.878 270 HD22 LEU 37 1HD2 LEU 37 6.085 3.580 12.177 271 HD23 LEU 37 2HD2 LEU 37 6.932 5.072 12.589 272 H ASP 38 H ASP 38 10.266 8.308 10.416 273 HA ASP 38 HA ASP 38 13.078 7.608 10.422 274 HB2 ASP 38 1HB ASP 38 12.077 9.115 8.765 275 HB3 ASP 38 2HB ASP 38 11.671 10.271 10.031 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 4.919 -16.121 -5.287 2 H2 GLY 1 2H GLY 1 5.561 -15.851 -6.771 3 H3 GLY 1 3H GLY 1 6.530 -16.305 -5.530 4 HA2 GLY 1 1HA GLY 1 6.157 -18.165 -7.015 5 HA3 GLY 1 2HA GLY 1 5.492 -18.462 -5.398 6 H SER 2 H SER 2 4.738 -19.483 -8.150 7 HA SER 2 HA SER 2 2.439 -18.279 -9.169 8 HB2 SER 2 1HB SER 2 3.162 -21.230 -9.282 9 HB3 SER 2 2HB SER 2 2.123 -20.345 -10.416 10 HG SER 2 HG SER 2 4.273 -20.566 -11.203 11 H SER 3 H SER 3 2.570 -20.393 -6.375 12 HA SER 3 HA SER 3 -0.246 -21.102 -6.349 13 HB2 SER 3 1HB SER 3 1.774 -21.132 -4.078 14 HB3 SER 3 2HB SER 3 0.236 -22.007 -4.139 15 HG SER 3 HG SER 3 1.046 -23.238 -5.868 16 H GLY 4 H GLY 4 1.275 -18.127 -5.648 17 HA2 GLY 4 1HA GLY 4 -0.252 -17.260 -3.363 18 HA3 GLY 4 2HA GLY 4 0.686 -16.246 -4.452 19 H SER 5 H SER 5 -1.757 -15.503 -3.286 20 HA SER 5 HA SER 5 -4.007 -15.742 -5.051 21 HB2 SER 5 1HB SER 5 -3.411 -13.628 -2.948 22 HB3 SER 5 2HB SER 5 -4.990 -13.962 -3.682 23 HG SER 5 HG SER 5 -4.735 -15.014 -1.651 24 H SER 6 H SER 6 -5.071 -14.046 -6.238 25 HA SER 6 HA SER 6 -3.429 -11.781 -7.223 26 HB2 SER 6 1HB SER 6 -3.109 -13.742 -8.765 27 HB3 SER 6 2HB SER 6 -4.850 -13.695 -9.107 28 HG SER 6 HG SER 6 -3.577 -12.498 -10.632 29 H GLY 7 H GLY 7 -4.676 -10.145 -8.323 30 HA2 GLY 7 1HA GLY 7 -7.426 -9.860 -8.581 31 HA3 GLY 7 2HA GLY 7 -7.106 -9.507 -6.880 32 H ILE 8 H ILE 8 -7.983 -7.381 -7.505 33 HA ILE 8 HA ILE 8 -6.285 -5.627 -9.138 34 HB ILE 8 HB ILE 8 -8.022 -3.915 -8.737 35 HG12 ILE 8 1HG1 ILE 8 -9.667 -6.197 -7.529 36 HG13 ILE 8 2HG1 ILE 8 -8.950 -4.897 -6.575 37 HG21 ILE 8 1HG2 ILE 8 -9.477 -4.963 -10.396 38 HG22 ILE 8 2HG2 ILE 8 -7.792 -5.442 -10.676 39 HG23 ILE 8 3HG2 ILE 8 -8.909 -6.582 -9.909 40 HD11 ILE 8 3HD1 ILE 8 -11.055 -4.567 -8.751 41 HD12 ILE 8 1HD1 ILE 8 -11.275 -4.380 -7.003 42 HD13 ILE 8 2HD1 ILE 8 -10.257 -3.226 -7.891 43 H LEU 9 H LEU 9 -4.654 -6.285 -7.585 44 HA LEU 9 HA LEU 9 -4.386 -4.770 -5.093 45 HB2 LEU 9 1HB LEU 9 -2.538 -6.581 -6.687 46 HB3 LEU 9 2HB LEU 9 -1.942 -5.652 -5.332 47 HG LEU 9 HG LEU 9 -2.369 -7.924 -4.697 48 HD11 LEU 9 1HD1 LEU 9 -2.656 -6.102 -3.021 49 HD12 LEU 9 2HD1 LEU 9 -3.609 -7.549 -2.659 50 HD13 LEU 9 3HD1 LEU 9 -4.409 -6.126 -3.348 51 HD21 LEU 9 3HD2 LEU 9 -5.332 -7.475 -5.192 52 HD22 LEU 9 1HD2 LEU 9 -4.560 -8.914 -4.503 53 HD23 LEU 9 2HD2 LEU 9 -4.241 -8.480 -6.188 54 H LEU 10 H LEU 10 -3.244 -3.034 -4.630 55 HA LEU 10 HA LEU 10 -1.824 -1.470 -6.742 56 HB2 LEU 10 1HB LEU 10 -2.818 -0.535 -4.027 57 HB3 LEU 10 2HB LEU 10 -2.200 0.461 -5.343 58 HG LEU 10 HG LEU 10 -4.843 -1.074 -5.404 59 HD11 LEU 10 1HD1 LEU 10 -4.271 1.887 -4.996 60 HD12 LEU 10 2HD1 LEU 10 -4.837 0.743 -3.757 61 HD13 LEU 10 3HD1 LEU 10 -5.876 1.128 -5.139 62 HD21 LEU 10 3HD2 LEU 10 -5.323 0.323 -7.383 63 HD22 LEU 10 1HD2 LEU 10 -3.912 -0.707 -7.667 64 HD23 LEU 10 2HD2 LEU 10 -3.689 1.020 -7.300 65 H LYS 11 H LYS 11 0.287 -0.618 -6.099 66 HA LYS 11 HA LYS 11 1.574 -1.976 -3.765 67 HB2 LYS 11 1HB LYS 11 2.394 -2.056 -6.653 68 HB3 LYS 11 2HB LYS 11 3.672 -1.891 -5.448 69 HG2 LYS 11 1HG LYS 11 2.878 -3.865 -4.246 70 HG3 LYS 11 2HG LYS 11 1.573 -4.091 -5.431 71 HD2 LYS 11 1HD LYS 11 3.238 -4.429 -7.210 72 HD3 LYS 11 2HD LYS 11 4.567 -4.148 -6.077 73 HE2 LYS 11 1HE LYS 11 2.496 -6.359 -5.715 74 HE3 LYS 11 2HE LYS 11 3.983 -6.588 -6.639 75 HZ1 LYS 11 3HZ LYS 11 3.974 -5.796 -3.766 76 HZ2 LYS 11 1HZ LYS 11 5.286 -6.132 -4.666 77 HZ3 LYS 11 2HZ LYS 11 4.222 -7.311 -4.322 78 H CYS 12 H CYS 12 3.250 -1.063 -2.774 79 HA CYS 12 HA CYS 12 3.338 1.769 -2.500 80 HB2 CYS 12 1HB CYS 12 3.797 0.070 -0.777 81 HB3 CYS 12 2HB CYS 12 5.284 -0.386 -1.632 82 HA PRO 13 HA PRO 13 6.245 2.519 -5.892 83 HB2 PRO 13 1HB PRO 13 6.368 5.218 -5.823 84 HB3 PRO 13 2HB PRO 13 4.842 4.369 -6.219 85 HG2 PRO 13 1HG PRO 13 5.703 5.474 -3.518 86 HG3 PRO 13 2HG PRO 13 4.157 5.757 -4.380 87 HD2 PRO 13 1HD PRO 13 4.465 3.810 -2.462 88 HD3 PRO 13 2HD PRO 13 3.366 3.612 -3.861 89 H THR 14 H THR 14 7.008 2.829 -2.587 90 HA THR 14 HA THR 14 9.381 4.453 -2.788 91 HB THR 14 HB THR 14 8.679 2.619 -0.476 92 HG1 THR 14 1HG THR 14 6.906 3.833 -0.718 93 HG21 THR 14 3HG2 THR 14 10.886 3.646 -0.251 94 HG22 THR 14 1HG2 THR 14 9.764 4.467 0.831 95 HG23 THR 14 2HG2 THR 14 10.228 5.242 -0.692 96 H ASP 15 H ASP 15 11.550 3.939 -2.819 97 HA ASP 15 HA ASP 15 12.390 1.491 -4.003 98 HB2 ASP 15 1HB ASP 15 13.597 3.608 -4.249 99 HB3 ASP 15 2HB ASP 15 13.982 3.617 -2.525 100 H GLY 16 H GLY 16 13.140 -0.402 -3.219 101 HA2 GLY 16 1HA GLY 16 13.772 -2.067 -1.752 102 HA3 GLY 16 2HA GLY 16 13.951 -0.871 -0.470 103 H CYS 17 H CYS 17 10.851 -0.401 -1.540 104 HA CYS 17 HA CYS 17 9.637 -2.205 0.489 105 HB2 CYS 17 1HB CYS 17 9.440 0.347 0.521 106 HB3 CYS 17 2HB CYS 17 8.383 0.170 -0.892 107 H ASP 18 H ASP 18 7.785 -3.384 -0.017 108 HA ASP 18 HA ASP 18 7.047 -3.819 -2.861 109 HB2 ASP 18 1HB ASP 18 8.947 -5.362 -2.257 110 HB3 ASP 18 2HB ASP 18 7.902 -6.099 -1.041 111 H TYR 19 H TYR 19 5.850 -2.933 -0.087 112 HA TYR 19 HA TYR 19 3.759 -4.667 0.688 113 HB2 TYR 19 1HB TYR 19 4.427 -2.825 2.059 114 HB3 TYR 19 2HB TYR 19 4.149 -1.670 0.770 115 HD1 TYR 19 2HD TYR 19 2.519 -3.752 3.362 116 HD2 TYR 19 1HD TYR 19 1.899 -0.871 0.206 117 HE1 TYR 19 2HE TYR 19 0.220 -3.310 4.208 118 HE2 TYR 19 1HE TYR 19 -0.370 -0.399 1.086 119 HH TYR 19 HH TYR 19 -1.702 -2.093 3.950 120 H SER 20 H SER 20 1.648 -4.921 0.119 121 HA SER 20 HA SER 20 0.508 -3.322 -2.062 122 HB2 SER 20 1HB SER 20 -0.256 -5.234 -3.343 123 HB3 SER 20 2HB SER 20 1.503 -5.256 -3.209 124 HG SER 20 HG SER 20 1.333 -6.838 -1.590 125 H THR 21 H THR 21 -1.698 -3.291 -2.255 126 HA THR 21 HA THR 21 -3.478 -4.752 -0.457 127 HB THR 21 HB THR 21 -2.779 -3.074 1.112 128 HG1 THR 21 1HG THR 21 -4.719 -2.269 1.605 129 HG21 THR 21 3HG2 THR 21 -3.600 -0.936 -0.902 130 HG22 THR 21 1HG2 THR 21 -1.931 -1.311 -0.438 131 HG23 THR 21 2HG2 THR 21 -3.055 -0.672 0.767 132 HA PRO 22 HA PRO 22 -6.116 -3.549 -3.927 133 HB2 PRO 22 1HB PRO 22 -8.572 -4.353 -3.105 134 HB3 PRO 22 2HB PRO 22 -7.269 -5.519 -3.491 135 HG2 PRO 22 1HG PRO 22 -8.070 -4.464 -0.755 136 HG3 PRO 22 2HG PRO 22 -7.831 -6.171 -1.253 137 HD2 PRO 22 1HD PRO 22 -5.882 -4.720 -0.010 138 HD3 PRO 22 2HD PRO 22 -5.488 -5.940 -1.246 139 H ASP 23 H ASP 23 -6.238 -2.089 -0.804 140 HA ASP 23 HA ASP 23 -8.348 -0.116 -1.559 141 HB2 ASP 23 1HB ASP 23 -7.147 -1.089 1.035 142 HB3 ASP 23 2HB ASP 23 -7.930 0.480 0.954 143 H LYS 24 H LYS 24 -7.752 1.766 -2.395 144 HA LYS 24 HA LYS 24 -5.102 2.803 -2.393 145 HB2 LYS 24 1HB LYS 24 -6.029 4.807 -3.356 146 HB3 LYS 24 2HB LYS 24 -6.782 3.385 -4.073 147 HG2 LYS 24 1HG LYS 24 -8.798 3.738 -2.625 148 HG3 LYS 24 2HG LYS 24 -8.035 5.189 -1.945 149 HD2 LYS 24 1HD LYS 24 -7.948 6.217 -4.186 150 HD3 LYS 24 2HD LYS 24 -8.706 4.767 -4.888 151 HE2 LYS 24 1HE LYS 24 -10.689 5.118 -3.418 152 HE3 LYS 24 2HE LYS 24 -9.932 6.570 -2.753 153 HZ1 LYS 24 3HZ LYS 24 -9.989 7.542 -4.991 154 HZ2 LYS 24 1HZ LYS 24 -11.492 7.126 -4.516 155 HZ3 LYS 24 2HZ LYS 24 -10.698 6.202 -5.601 156 H TYR 25 H TYR 25 -7.714 3.399 -0.081 157 HA TYR 25 HA TYR 25 -6.443 5.579 1.284 158 HB2 TYR 25 1HB TYR 25 -8.438 3.593 2.426 159 HB3 TYR 25 2HB TYR 25 -8.123 5.229 2.985 160 HD1 TYR 25 1HD TYR 25 -8.403 7.110 1.023 161 HD2 TYR 25 2HD TYR 25 -10.360 3.262 1.128 162 HE1 TYR 25 1HE TYR 25 -10.208 7.979 -0.460 163 HE2 TYR 25 2HE TYR 25 -12.153 4.134 -0.356 164 HH TYR 25 HH TYR 25 -12.973 5.946 -1.494 165 H LYS 26 H LYS 26 -6.433 2.043 1.929 166 HA LYS 26 HA LYS 26 -4.668 2.027 4.183 167 HB2 LYS 26 1HB LYS 26 -5.503 0.044 2.060 168 HB3 LYS 26 2HB LYS 26 -4.254 -0.350 3.219 169 HG2 LYS 26 1HG LYS 26 -6.381 -1.173 3.939 170 HG3 LYS 26 2HG LYS 26 -5.712 -0.021 5.092 171 HD2 LYS 26 1HD LYS 26 -7.311 1.670 4.467 172 HD3 LYS 26 2HD LYS 26 -7.924 0.694 3.131 173 HE2 LYS 26 1HE LYS 26 -8.117 -0.037 6.083 174 HE3 LYS 26 2HE LYS 26 -9.399 0.710 5.126 175 HZ1 LYS 26 3HZ LYS 26 -9.313 -1.286 3.646 176 HZ2 LYS 26 1HZ LYS 26 -9.779 -1.638 5.178 177 HZ3 LYS 26 2HZ LYS 26 -8.268 -1.995 4.683 178 H LEU 27 H LEU 27 -4.016 1.906 0.640 179 HA LEU 27 HA LEU 27 -1.191 1.688 0.925 180 HB2 LEU 27 1HB LEU 27 -2.413 1.225 -1.177 181 HB3 LEU 27 2HB LEU 27 -2.797 2.940 -1.324 182 HG LEU 27 HG LEU 27 -0.421 3.503 -1.594 183 HD11 LEU 27 1HD1 LEU 27 0.690 1.777 -0.256 184 HD12 LEU 27 2HD1 LEU 27 1.251 1.690 -1.919 185 HD13 LEU 27 3HD1 LEU 27 0.069 0.500 -1.338 186 HD21 LEU 27 3HD2 LEU 27 -1.202 1.178 -3.381 187 HD22 LEU 27 1HD2 LEU 27 -0.067 2.487 -3.774 188 HD23 LEU 27 2HD2 LEU 27 -1.792 2.847 -3.572 189 H GLN 28 H GLN 28 -3.207 4.673 0.549 190 HA GLN 28 HA GLN 28 -1.085 6.570 0.762 191 HB2 GLN 28 1HB GLN 28 -4.007 6.639 1.621 192 HB3 GLN 28 2HB GLN 28 -2.961 8.043 1.752 193 HG2 GLN 28 1HG GLN 28 -3.421 6.571 -0.880 194 HG3 GLN 28 2HG GLN 28 -4.433 7.887 -0.306 195 HE21 GLN 28 1HE2 GLN 28 -3.253 8.245 -2.743 196 HE22 GLN 28 2HE2 GLN 28 -1.930 9.396 -2.598 197 H ALA 29 H ALA 29 -3.003 5.037 3.389 198 HA ALA 29 HA ALA 29 -1.559 6.241 5.549 199 HB1 ALA 29 1HB ALA 29 -2.605 4.476 6.901 200 HB2 ALA 29 2HB ALA 29 -3.774 5.168 5.761 201 HB3 ALA 29 3HB ALA 29 -3.045 3.580 5.435 202 H HIS 30 H HIS 30 -0.698 3.414 3.535 203 HA HIS 30 HA HIS 30 1.626 2.697 5.208 204 HB2 HIS 30 1HB HIS 30 0.521 0.977 3.914 205 HB3 HIS 30 2HB HIS 30 0.753 1.872 2.416 206 HD1 HIS 30 1HD HIS 30 2.790 -0.209 4.921 207 HD2 HIS 30 2HD HIS 30 3.169 1.908 1.313 208 HE1 HIS 30 1HE HIS 30 5.112 -0.749 4.045 209 H LEU 31 H LEU 31 1.141 4.836 2.327 210 HA LEU 31 HA LEU 31 3.900 5.320 1.839 211 HB2 LEU 31 1HB LEU 31 1.681 7.381 1.738 212 HB3 LEU 31 2HB LEU 31 3.248 7.521 0.982 213 HG LEU 31 HG LEU 31 1.000 5.662 0.184 214 HD11 LEU 31 1HD1 LEU 31 2.475 7.837 -1.333 215 HD12 LEU 31 2HD1 LEU 31 0.879 8.007 -0.570 216 HD13 LEU 31 3HD1 LEU 31 1.098 6.875 -1.915 217 HD21 LEU 31 3HD2 LEU 31 3.058 4.363 -0.086 218 HD22 LEU 31 1HD2 LEU 31 3.830 5.729 -0.928 219 HD23 LEU 31 2HD2 LEU 31 2.444 4.878 -1.655 220 H LYS 32 H LYS 32 1.924 6.454 4.507 221 HA LYS 32 HA LYS 32 3.682 8.413 5.637 222 HB2 LYS 32 1HB LYS 32 1.873 6.564 7.227 223 HB3 LYS 32 2HB LYS 32 2.380 8.187 7.644 224 HG2 LYS 32 1HG LYS 32 0.464 7.403 5.416 225 HG3 LYS 32 2HG LYS 32 0.011 8.079 6.962 226 HD2 LYS 32 1HD LYS 32 1.724 9.568 4.914 227 HD3 LYS 32 2HD LYS 32 -0.040 9.683 5.024 228 HE2 LYS 32 1HE LYS 32 0.128 10.410 7.375 229 HE3 LYS 32 2HE LYS 32 1.895 10.342 7.285 230 HZ1 LYS 32 3HZ LYS 32 1.805 12.065 5.555 231 HZ2 LYS 32 1HZ LYS 32 1.083 12.603 6.914 232 HZ3 LYS 32 2HZ LYS 32 0.174 12.133 5.647 233 H VAL 33 H VAL 33 3.929 4.855 5.759 234 HA VAL 33 HA VAL 33 5.535 4.780 8.139 235 HB VAL 33 HB VAL 33 5.973 2.580 7.737 236 HG11 VAL 33 1HG1 VAL 33 3.321 2.947 6.419 237 HG12 VAL 33 2HG1 VAL 33 3.932 1.479 7.189 238 HG13 VAL 33 3HG1 VAL 33 3.634 2.934 8.161 239 HG21 VAL 33 3HG2 VAL 33 7.047 2.489 5.634 240 HG22 VAL 33 1HG2 VAL 33 5.750 1.302 5.686 241 HG23 VAL 33 2HG2 VAL 33 5.527 2.811 4.790 242 H HIS 34 H HIS 34 6.294 5.653 4.896 243 HA HIS 34 HA HIS 34 9.198 5.368 5.237 244 HB2 HIS 34 1HB HIS 34 7.516 6.330 2.898 245 HB3 HIS 34 2HB HIS 34 9.249 6.003 2.867 246 HD1 HIS 34 1HD HIS 34 9.847 3.296 3.636 247 HD2 HIS 34 2HD HIS 34 5.947 4.257 2.412 248 HE1 HIS 34 1HE HIS 34 8.718 1.088 3.111 249 H THR 35 H THR 35 7.050 7.718 6.238 250 HA THR 35 HA THR 35 9.193 9.818 6.212 251 HB THR 35 HB THR 35 7.420 11.525 6.109 252 HG1 THR 35 1HG THR 35 5.357 10.894 5.481 253 HG21 THR 35 3HG2 THR 35 8.568 10.776 4.017 254 HG22 THR 35 1HG2 THR 35 6.917 11.360 3.742 255 HG23 THR 35 2HG2 THR 35 7.251 9.614 3.739 256 H ALA 36 H ALA 36 6.448 8.436 8.036 257 HA ALA 36 HA ALA 36 7.046 10.146 10.353 258 HB1 ALA 36 1HB ALA 36 4.746 9.844 9.493 259 HB2 ALA 36 2HB ALA 36 4.841 8.107 9.865 260 HB3 ALA 36 3HB ALA 36 4.911 9.302 11.174 261 H LEU 37 H LEU 37 7.875 6.930 9.410 262 HA LEU 37 HA LEU 37 8.512 6.164 12.219 263 HB2 LEU 37 1HB LEU 37 6.791 4.808 10.964 264 HB3 LEU 37 2HB LEU 37 8.069 4.319 9.860 265 HG LEU 37 HG LEU 37 9.281 3.234 11.772 266 HD11 LEU 37 1HD1 LEU 37 6.775 3.974 13.346 267 HD12 LEU 37 2HD1 LEU 37 8.434 4.525 13.679 268 HD13 LEU 37 3HD1 LEU 37 8.022 2.822 13.875 269 HD21 LEU 37 3HD2 LEU 37 7.730 1.348 11.988 270 HD22 LEU 37 1HD2 LEU 37 7.738 1.961 10.329 271 HD23 LEU 37 2HD2 LEU 37 6.386 2.359 11.411 272 H ASP 38 H ASP 38 10.239 7.849 11.439 273 HA ASP 38 HA ASP 38 12.749 6.375 10.838 274 HB2 ASP 38 1HB ASP 38 11.983 7.317 8.702 275 HB3 ASP 38 2HB ASP 38 11.840 8.912 9.432 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -13.097 -11.960 -19.933 2 H2 GLY 1 2H GLY 1 -14.412 -11.878 -20.903 3 H3 GLY 1 3H GLY 1 -13.843 -13.336 -20.417 4 HA2 GLY 1 1HA GLY 1 -15.824 -12.795 -19.177 5 HA3 GLY 1 2HA GLY 1 -14.398 -12.859 -18.124 6 H SER 2 H SER 2 -15.484 -11.490 -16.607 7 HA SER 2 HA SER 2 -16.315 -8.790 -17.315 8 HB2 SER 2 1HB SER 2 -16.692 -8.576 -14.863 9 HB3 SER 2 2HB SER 2 -17.537 -9.935 -15.619 10 HG SER 2 HG SER 2 -16.511 -10.533 -13.648 11 H SER 3 H SER 3 -15.496 -6.853 -16.327 12 HA SER 3 HA SER 3 -12.679 -6.524 -16.712 13 HB2 SER 3 1HB SER 3 -14.718 -4.603 -15.528 14 HB3 SER 3 2HB SER 3 -13.103 -4.178 -16.126 15 HG SER 3 HG SER 3 -14.737 -3.812 -17.704 16 H GLY 4 H GLY 4 -11.071 -5.755 -15.293 17 HA2 GLY 4 1HA GLY 4 -10.993 -6.916 -12.649 18 HA3 GLY 4 2HA GLY 4 -9.768 -5.895 -13.401 19 H SER 5 H SER 5 -12.569 -4.094 -13.533 20 HA SER 5 HA SER 5 -11.703 -2.150 -11.660 21 HB2 SER 5 1HB SER 5 -13.924 -1.094 -12.165 22 HB3 SER 5 2HB SER 5 -12.950 -1.508 -13.586 23 HG SER 5 HG SER 5 -15.188 -2.133 -13.760 24 H SER 6 H SER 6 -13.579 -5.001 -11.034 25 HA SER 6 HA SER 6 -14.910 -4.200 -8.627 26 HB2 SER 6 1HB SER 6 -13.775 -6.915 -9.401 27 HB3 SER 6 2HB SER 6 -14.956 -6.602 -8.113 28 HG SER 6 HG SER 6 -15.961 -7.271 -10.071 29 H GLY 7 H GLY 7 -11.502 -4.857 -9.241 30 HA2 GLY 7 1HA GLY 7 -10.429 -3.535 -7.173 31 HA3 GLY 7 2HA GLY 7 -10.781 -5.066 -6.377 32 H ILE 8 H ILE 8 -8.264 -3.574 -7.209 33 HA ILE 8 HA ILE 8 -6.721 -5.948 -8.068 34 HB ILE 8 HB ILE 8 -5.244 -4.571 -9.469 35 HG12 ILE 8 1HG1 ILE 8 -7.422 -2.430 -9.387 36 HG13 ILE 8 2HG1 ILE 8 -5.874 -2.324 -8.543 37 HG21 ILE 8 1HG2 ILE 8 -8.090 -4.598 -10.530 38 HG22 ILE 8 2HG2 ILE 8 -6.585 -4.710 -11.464 39 HG23 ILE 8 3HG2 ILE 8 -7.055 -6.034 -10.395 40 HD11 ILE 8 3HD1 ILE 8 -5.702 -1.069 -10.578 41 HD12 ILE 8 1HD1 ILE 8 -4.684 -2.518 -10.728 42 HD13 ILE 8 2HD1 ILE 8 -6.263 -2.439 -11.551 43 H LEU 9 H LEU 9 -4.502 -5.909 -7.386 44 HA LEU 9 HA LEU 9 -4.045 -4.567 -4.841 45 HB2 LEU 9 1HB LEU 9 -2.376 -6.375 -6.626 46 HB3 LEU 9 2HB LEU 9 -1.679 -5.572 -5.241 47 HG LEU 9 HG LEU 9 -2.224 -7.861 -4.732 48 HD11 LEU 9 1HD1 LEU 9 -2.339 -6.141 -2.929 49 HD12 LEU 9 2HD1 LEU 9 -3.369 -7.549 -2.632 50 HD13 LEU 9 3HD1 LEU 9 -4.098 -6.038 -3.191 51 HD21 LEU 9 3HD2 LEU 9 -5.172 -7.191 -5.057 52 HD22 LEU 9 1HD2 LEU 9 -4.463 -8.729 -4.540 53 HD23 LEU 9 2HD2 LEU 9 -4.211 -8.164 -6.200 54 H LEU 10 H LEU 10 -2.949 -2.782 -4.396 55 HA LEU 10 HA LEU 10 -1.692 -1.193 -6.597 56 HB2 LEU 10 1HB LEU 10 -2.854 -0.265 -3.947 57 HB3 LEU 10 2HB LEU 10 -2.276 0.755 -5.265 58 HG LEU 10 HG LEU 10 -4.729 -1.061 -5.396 59 HD11 LEU 10 1HD1 LEU 10 -5.007 0.816 -3.850 60 HD12 LEU 10 2HD1 LEU 10 -6.003 1.026 -5.297 61 HD13 LEU 10 3HD1 LEU 10 -4.497 1.959 -5.114 62 HD21 LEU 10 3HD2 LEU 10 -3.697 1.051 -7.341 63 HD22 LEU 10 1HD2 LEU 10 -5.251 0.193 -7.462 64 HD23 LEU 10 2HD2 LEU 10 -3.737 -0.706 -7.632 65 H LYS 11 H LYS 11 0.447 -0.720 -6.422 66 HA LYS 11 HA LYS 11 1.963 -1.859 -4.140 67 HB2 LYS 11 1HB LYS 11 2.670 -1.063 -6.978 68 HB3 LYS 11 2HB LYS 11 3.932 -1.345 -5.791 69 HG2 LYS 11 1HG LYS 11 1.814 -3.442 -6.382 70 HG3 LYS 11 2HG LYS 11 3.303 -3.293 -7.324 71 HD2 LYS 11 1HD LYS 11 4.682 -3.652 -5.318 72 HD3 LYS 11 2HD LYS 11 3.241 -3.723 -4.311 73 HE2 LYS 11 1HE LYS 11 2.515 -5.646 -6.003 74 HE3 LYS 11 2HE LYS 11 4.245 -5.698 -6.367 75 HZ1 LYS 11 3HZ LYS 11 2.910 -6.201 -3.769 76 HZ2 LYS 11 1HZ LYS 11 4.514 -5.927 -3.833 77 HZ3 LYS 11 2HZ LYS 11 3.864 -7.231 -4.605 78 H CYS 12 H CYS 12 3.423 -0.861 -2.924 79 HA CYS 12 HA CYS 12 3.382 1.948 -2.435 80 HB2 CYS 12 1HB CYS 12 3.869 0.218 -0.791 81 HB3 CYS 12 2HB CYS 12 5.365 -0.206 -1.658 82 HA PRO 13 HA PRO 13 6.164 3.167 -5.777 83 HB2 PRO 13 1HB PRO 13 6.623 5.632 -4.114 84 HB3 PRO 13 2HB PRO 13 6.145 5.502 -5.834 85 HG2 PRO 13 1HG PRO 13 4.328 6.163 -3.932 86 HG3 PRO 13 2HG PRO 13 3.887 5.014 -5.242 87 HD2 PRO 13 1HD PRO 13 4.760 4.385 -2.408 88 HD3 PRO 13 2HD PRO 13 3.378 3.741 -3.352 89 H THR 14 H THR 14 7.222 3.109 -2.419 90 HA THR 14 HA THR 14 9.902 4.002 -2.818 91 HB THR 14 HB THR 14 8.774 2.338 -0.546 92 HG1 THR 14 1HG THR 14 8.514 4.364 0.406 93 HG21 THR 14 3HG2 THR 14 10.566 3.450 0.800 94 HG22 THR 14 1HG2 THR 14 11.247 4.122 -0.698 95 HG23 THR 14 2HG2 THR 14 11.226 2.364 -0.426 96 H ASP 15 H ASP 15 11.766 3.029 -3.363 97 HA ASP 15 HA ASP 15 11.788 0.421 -4.533 98 HB2 ASP 15 1HB ASP 15 13.258 2.238 -5.263 99 HB3 ASP 15 2HB ASP 15 14.069 2.245 -3.694 100 H GLY 16 H GLY 16 12.320 -1.553 -3.774 101 HA2 GLY 16 1HA GLY 16 12.993 -3.248 -2.370 102 HA3 GLY 16 2HA GLY 16 13.792 -2.064 -1.335 103 H CYS 17 H CYS 17 10.632 -1.006 -1.518 104 HA CYS 17 HA CYS 17 9.888 -2.102 1.073 105 HB2 CYS 17 1HB CYS 17 9.554 0.252 0.436 106 HB3 CYS 17 2HB CYS 17 8.440 -0.255 -0.848 107 H ASP 18 H ASP 18 8.692 -2.242 -2.092 108 HA ASP 18 HA ASP 18 7.198 -3.414 -3.301 109 HB2 ASP 18 1HB ASP 18 7.611 -5.724 -3.564 110 HB3 ASP 18 2HB ASP 18 9.116 -4.877 -3.286 111 H TYR 19 H TYR 19 6.201 -2.844 -0.362 112 HA TYR 19 HA TYR 19 4.119 -4.603 0.275 113 HB2 TYR 19 1HB TYR 19 4.840 -2.836 1.754 114 HB3 TYR 19 2HB TYR 19 4.422 -1.600 0.585 115 HD1 TYR 19 2HD TYR 19 3.049 -4.054 3.006 116 HD2 TYR 19 1HD TYR 19 2.118 -0.766 0.353 117 HE1 TYR 19 2HE TYR 19 0.817 -3.788 4.087 118 HE2 TYR 19 1HE TYR 19 -0.074 -0.502 1.441 119 HH TYR 19 HH TYR 19 -1.472 -1.208 3.131 120 H SER 20 H SER 20 2.003 -4.854 -0.283 121 HA SER 20 HA SER 20 0.697 -2.892 -1.987 122 HB2 SER 20 1HB SER 20 -0.335 -4.790 -3.425 123 HB3 SER 20 2HB SER 20 1.257 -4.183 -3.816 124 HG SER 20 HG SER 20 0.671 -6.565 -2.347 125 H THR 21 H THR 21 -1.515 -2.940 -2.083 126 HA THR 21 HA THR 21 -3.081 -4.724 -0.340 127 HB THR 21 HB THR 21 -2.354 -3.093 1.258 128 HG1 THR 21 1HG THR 21 -4.271 -2.552 1.983 129 HG21 THR 21 3HG2 THR 21 -3.442 -0.910 -0.567 130 HG22 THR 21 1HG2 THR 21 -1.723 -1.204 -0.231 131 HG23 THR 21 2HG2 THR 21 -2.799 -0.704 1.077 132 HA PRO 22 HA PRO 22 -5.899 -3.797 -3.650 133 HB2 PRO 22 1HB PRO 22 -8.288 -4.742 -2.749 134 HB3 PRO 22 2HB PRO 22 -6.895 -5.810 -3.102 135 HG2 PRO 22 1HG PRO 22 -7.718 -4.664 -0.407 136 HG3 PRO 22 2HG PRO 22 -7.384 -6.379 -0.819 137 HD2 PRO 22 1HD PRO 22 -5.488 -4.799 0.292 138 HD3 PRO 22 2HD PRO 22 -5.060 -5.985 -0.968 139 H ASP 23 H ASP 23 -5.970 -1.956 -0.817 140 HA ASP 23 HA ASP 23 -8.248 -0.250 -1.755 141 HB2 ASP 23 1HB ASP 23 -8.415 -1.461 0.519 142 HB3 ASP 23 2HB ASP 23 -7.100 -0.447 1.009 143 H LYS 24 H LYS 24 -7.868 1.806 -2.340 144 HA LYS 24 HA LYS 24 -5.191 2.841 -2.495 145 HB2 LYS 24 1HB LYS 24 -6.161 4.759 -3.558 146 HB3 LYS 24 2HB LYS 24 -6.939 3.297 -4.162 147 HG2 LYS 24 1HG LYS 24 -8.894 3.742 -2.645 148 HG3 LYS 24 2HG LYS 24 -8.104 5.239 -2.109 149 HD2 LYS 24 1HD LYS 24 -8.109 6.083 -4.437 150 HD3 LYS 24 2HD LYS 24 -8.911 4.588 -4.976 151 HE2 LYS 24 1HE LYS 24 -10.827 5.088 -3.470 152 HE3 LYS 24 2HE LYS 24 -10.024 6.576 -2.950 153 HZ1 LYS 24 3HZ LYS 24 -10.910 6.004 -5.727 154 HZ2 LYS 24 1HZ LYS 24 -10.155 7.373 -5.250 155 HZ3 LYS 24 2HZ LYS 24 -11.645 7.025 -4.688 156 H TYR 25 H TYR 25 -7.541 3.182 0.071 157 HA TYR 25 HA TYR 25 -6.132 5.517 1.232 158 HB2 TYR 25 1HB TYR 25 -8.502 3.965 2.303 159 HB3 TYR 25 2HB TYR 25 -7.832 5.448 2.950 160 HD1 TYR 25 1HD TYR 25 -7.905 7.582 1.561 161 HD2 TYR 25 2HD TYR 25 -10.076 4.014 0.475 162 HE1 TYR 25 1HE TYR 25 -9.397 8.937 0.098 163 HE2 TYR 25 2HE TYR 25 -11.585 5.376 -0.967 164 HH TYR 25 HH TYR 25 -11.196 8.922 -1.325 165 H LYS 26 H LYS 26 -6.508 1.989 1.777 166 HA LYS 26 HA LYS 26 -4.802 1.870 4.119 167 HB2 LYS 26 1HB LYS 26 -5.197 -0.226 1.950 168 HB3 LYS 26 2HB LYS 26 -4.432 -0.495 3.504 169 HG2 LYS 26 1HG LYS 26 -6.549 0.118 4.670 170 HG3 LYS 26 2HG LYS 26 -7.354 0.290 3.123 171 HD2 LYS 26 1HD LYS 26 -6.746 -2.118 2.614 172 HD3 LYS 26 2HD LYS 26 -6.094 -2.262 4.244 173 HE2 LYS 26 1HE LYS 26 -8.978 -1.513 3.562 174 HE3 LYS 26 2HE LYS 26 -8.432 -3.147 3.944 175 HZ1 LYS 26 3HZ LYS 26 -8.293 -0.836 5.807 176 HZ2 LYS 26 1HZ LYS 26 -7.751 -2.344 6.145 177 HZ3 LYS 26 2HZ LYS 26 -9.340 -2.079 5.905 178 H LEU 27 H LEU 27 -4.019 1.863 0.623 179 HA LEU 27 HA LEU 27 -1.187 1.604 0.990 180 HB2 LEU 27 1HB LEU 27 -2.343 1.238 -1.162 181 HB3 LEU 27 2HB LEU 27 -2.749 2.957 -1.236 182 HG LEU 27 HG LEU 27 -0.359 3.550 -1.403 183 HD11 LEU 27 1HD1 LEU 27 0.722 1.758 -0.131 184 HD12 LEU 27 2HD1 LEU 27 1.327 1.750 -1.782 185 HD13 LEU 27 3HD1 LEU 27 0.131 0.536 -1.289 186 HD21 LEU 27 3HD2 LEU 27 0.061 2.675 -3.623 187 HD22 LEU 27 1HD2 LEU 27 -1.674 2.994 -3.455 188 HD23 LEU 27 2HD2 LEU 27 -1.058 1.327 -3.345 189 H GLN 28 H GLN 28 -3.227 4.590 0.709 190 HA GLN 28 HA GLN 28 -1.124 6.485 1.039 191 HB2 GLN 28 1HB GLN 28 -4.098 6.499 1.666 192 HB3 GLN 28 2HB GLN 28 -3.074 7.892 2.043 193 HG2 GLN 28 1HG GLN 28 -2.356 8.114 -0.202 194 HG3 GLN 28 2HG GLN 28 -3.155 6.636 -0.727 195 HE21 GLN 28 1HE2 GLN 28 -5.461 6.591 -0.916 196 HE22 GLN 28 2HE2 GLN 28 -6.400 8.091 -0.984 197 H ALA 29 H ALA 29 -3.120 4.911 3.498 198 HA ALA 29 HA ALA 29 -1.839 5.983 5.808 199 HB1 ALA 29 1HB ALA 29 -3.163 3.262 5.446 200 HB2 ALA 29 2HB ALA 29 -2.848 4.081 6.988 201 HB3 ALA 29 3HB ALA 29 -3.996 4.785 5.834 202 H HIS 30 H HIS 30 -0.762 3.322 3.678 203 HA HIS 30 HA HIS 30 1.520 2.632 5.399 204 HB2 HIS 30 1HB HIS 30 0.594 0.904 4.025 205 HB3 HIS 30 2HB HIS 30 0.746 1.868 2.564 206 HD1 HIS 30 1HD HIS 30 2.929 -0.192 4.939 207 HD2 HIS 30 2HD HIS 30 3.160 2.142 1.454 208 HE1 HIS 30 1HE HIS 30 5.270 -0.545 4.028 209 H LEU 31 H LEU 31 1.053 4.826 2.554 210 HA LEU 31 HA LEU 31 3.794 5.406 2.121 211 HB2 LEU 31 1HB LEU 31 1.490 7.379 1.950 212 HB3 LEU 31 2HB LEU 31 3.082 7.590 1.246 213 HG LEU 31 HG LEU 31 0.991 5.563 0.393 214 HD11 LEU 31 1HD1 LEU 31 0.584 7.890 -0.305 215 HD12 LEU 31 2HD1 LEU 31 0.960 6.838 -1.679 216 HD13 LEU 31 3HD1 LEU 31 2.198 7.945 -1.046 217 HD21 LEU 31 3HD2 LEU 31 3.191 4.523 0.104 218 HD22 LEU 31 1HD2 LEU 31 3.790 5.989 -0.712 219 HD23 LEU 31 2HD2 LEU 31 2.511 4.994 -1.453 220 H LYS 32 H LYS 32 1.664 6.668 4.649 221 HA LYS 32 HA LYS 32 3.394 8.633 5.779 222 HB2 LYS 32 1HB LYS 32 1.296 6.867 7.105 223 HB3 LYS 32 2HB LYS 32 2.067 8.266 7.862 224 HG2 LYS 32 1HG LYS 32 1.184 9.749 6.089 225 HG3 LYS 32 2HG LYS 32 0.377 8.369 5.326 226 HD2 LYS 32 1HD LYS 32 -0.957 7.999 7.388 227 HD3 LYS 32 2HD LYS 32 -0.161 9.400 8.143 228 HE2 LYS 32 1HE LYS 32 -1.021 10.856 6.310 229 HE3 LYS 32 2HE LYS 32 -1.837 9.463 5.590 230 HZ1 LYS 32 3HZ LYS 32 -3.355 10.763 6.975 231 HZ2 LYS 32 1HZ LYS 32 -2.413 10.570 8.291 232 HZ3 LYS 32 2HZ LYS 32 -3.171 9.280 7.631 233 H VAL 33 H VAL 33 3.691 5.146 5.936 234 HA VAL 33 HA VAL 33 5.346 5.046 8.299 235 HB VAL 33 HB VAL 33 4.049 3.163 6.869 236 HG11 VAL 33 1HG1 VAL 33 5.729 3.177 4.979 237 HG12 VAL 33 2HG1 VAL 33 6.956 2.610 6.129 238 HG13 VAL 33 3HG1 VAL 33 5.532 1.616 5.784 239 HG21 VAL 33 3HG2 VAL 33 6.481 2.639 8.588 240 HG22 VAL 33 1HG2 VAL 33 4.815 2.929 9.152 241 HG23 VAL 33 2HG2 VAL 33 5.177 1.487 8.192 242 H HIS 34 H HIS 34 5.989 5.942 5.003 243 HA HIS 34 HA HIS 34 8.921 5.733 5.304 244 HB2 HIS 34 1HB HIS 34 7.172 6.612 2.979 245 HB3 HIS 34 2HB HIS 34 8.925 6.448 2.938 246 HD1 HIS 34 1HD HIS 34 9.735 3.775 3.750 247 HD2 HIS 34 2HD HIS 34 5.930 4.476 2.100 248 HE1 HIS 34 1HE HIS 34 8.917 1.519 2.935 249 H THR 35 H THR 35 6.453 8.211 5.643 250 HA THR 35 HA THR 35 8.472 10.390 5.608 251 HB THR 35 HB THR 35 6.561 11.896 5.955 252 HG1 THR 35 1HG THR 35 5.039 10.721 6.968 253 HG21 THR 35 3HG2 THR 35 6.088 9.943 3.660 254 HG22 THR 35 1HG2 THR 35 7.264 11.279 3.650 255 HG23 THR 35 2HG2 THR 35 5.529 11.624 3.770 256 H ALA 36 H ALA 36 6.591 8.518 7.958 257 HA ALA 36 HA ALA 36 7.304 10.131 10.250 258 HB1 ALA 36 1HB ALA 36 6.424 8.210 11.520 259 HB2 ALA 36 2HB ALA 36 5.330 8.655 10.196 260 HB3 ALA 36 3HB ALA 36 6.387 7.232 10.037 261 H LEU 37 H LEU 37 8.683 9.465 12.013 262 HA LEU 37 HA LEU 37 10.917 7.632 11.497 263 HB2 LEU 37 1HB LEU 37 11.214 10.586 12.196 264 HB3 LEU 37 2HB LEU 37 12.502 9.406 12.386 265 HG LEU 37 HG LEU 37 11.223 10.132 9.713 266 HD11 LEU 37 1HD1 LEU 37 13.899 10.943 10.921 267 HD12 LEU 37 2HD1 LEU 37 12.490 12.004 10.690 268 HD13 LEU 37 3HD1 LEU 37 13.323 11.328 9.283 269 HD21 LEU 37 3HD2 LEU 37 13.198 8.970 8.752 270 HD22 LEU 37 1HD2 LEU 37 12.198 7.857 9.684 271 HD23 LEU 37 2HD2 LEU 37 13.708 8.481 10.382 272 H ASP 38 H ASP 38 11.759 6.809 13.314 273 HA ASP 38 HA ASP 38 10.836 7.594 16.023 274 HB2 ASP 38 1HB ASP 38 9.192 5.941 15.235 275 HB3 ASP 38 2HB ASP 38 10.482 4.807 14.852 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -22.631 0.664 -21.020 2 H2 GLY 1 2H GLY 1 -22.981 1.262 -19.533 3 H3 GLY 1 3H GLY 1 -22.974 -0.358 -19.787 4 HA2 GLY 1 1HA GLY 1 -20.618 1.410 -19.926 5 HA3 GLY 1 2HA GLY 1 -20.988 0.295 -18.600 6 H SER 2 H SER 2 -18.744 -0.393 -19.219 7 HA SER 2 HA SER 2 -18.772 -2.582 -21.257 8 HB2 SER 2 1HB SER 2 -16.556 -0.534 -20.853 9 HB3 SER 2 2HB SER 2 -16.481 -1.952 -21.914 10 HG SER 2 HG SER 2 -17.052 -0.035 -23.051 11 H SER 3 H SER 3 -17.242 -4.263 -20.905 12 HA SER 3 HA SER 3 -16.786 -4.943 -18.117 13 HB2 SER 3 1HB SER 3 -17.370 -6.574 -19.931 14 HB3 SER 3 2HB SER 3 -15.736 -6.352 -20.592 15 HG SER 3 HG SER 3 -15.909 -8.153 -19.140 16 H GLY 4 H GLY 4 -14.742 -5.464 -17.151 17 HA2 GLY 4 1HA GLY 4 -12.180 -4.801 -18.171 18 HA3 GLY 4 2HA GLY 4 -12.782 -3.404 -17.276 19 H SER 5 H SER 5 -10.550 -4.399 -16.328 20 HA SER 5 HA SER 5 -10.784 -6.563 -14.444 21 HB2 SER 5 1HB SER 5 -8.675 -4.384 -14.643 22 HB3 SER 5 2HB SER 5 -8.541 -5.901 -13.735 23 HG SER 5 HG SER 5 -7.554 -6.027 -15.817 24 H SER 6 H SER 6 -10.971 -6.596 -12.251 25 HA SER 6 HA SER 6 -11.420 -4.090 -10.702 26 HB2 SER 6 1HB SER 6 -13.313 -6.474 -10.787 27 HB3 SER 6 2HB SER 6 -13.403 -5.141 -9.623 28 HG SER 6 HG SER 6 -14.813 -4.845 -11.422 29 H GLY 7 H GLY 7 -11.125 -4.302 -8.436 30 HA2 GLY 7 1HA GLY 7 -10.258 -5.128 -6.475 31 HA3 GLY 7 2HA GLY 7 -10.487 -6.763 -7.103 32 H ILE 8 H ILE 8 -8.440 -4.629 -8.957 33 HA ILE 8 HA ILE 8 -6.192 -6.413 -8.694 34 HB ILE 8 HB ILE 8 -6.396 -3.737 -10.116 35 HG12 ILE 8 1HG1 ILE 8 -8.090 -5.169 -11.062 36 HG13 ILE 8 2HG1 ILE 8 -6.758 -5.032 -12.187 37 HG21 ILE 8 1HG2 ILE 8 -4.366 -5.997 -10.386 38 HG22 ILE 8 2HG2 ILE 8 -4.521 -4.638 -11.518 39 HG23 ILE 8 3HG2 ILE 8 -4.067 -4.331 -9.845 40 HD11 ILE 8 3HD1 ILE 8 -7.614 -7.324 -12.134 41 HD12 ILE 8 1HD1 ILE 8 -5.954 -7.304 -11.522 42 HD13 ILE 8 2HD1 ILE 8 -7.325 -7.441 -10.395 43 H LEU 9 H LEU 9 -4.326 -6.159 -7.719 44 HA LEU 9 HA LEU 9 -4.172 -4.627 -5.307 45 HB2 LEU 9 1HB LEU 9 -2.163 -6.309 -6.852 46 HB3 LEU 9 2HB LEU 9 -1.703 -5.437 -5.409 47 HG LEU 9 HG LEU 9 -2.102 -7.767 -4.936 48 HD11 LEU 9 1HD1 LEU 9 -2.523 -6.064 -3.186 49 HD12 LEU 9 2HD1 LEU 9 -3.491 -7.532 -2.975 50 HD13 LEU 9 3HD1 LEU 9 -4.253 -6.071 -3.630 51 HD21 LEU 9 3HD2 LEU 9 -5.044 -7.348 -5.583 52 HD22 LEU 9 1HD2 LEU 9 -4.269 -8.817 -4.967 53 HD23 LEU 9 2HD2 LEU 9 -3.887 -8.247 -6.600 54 H LEU 10 H LEU 10 -3.422 -2.727 -4.836 55 HA LEU 10 HA LEU 10 -1.927 -1.036 -6.763 56 HB2 LEU 10 1HB LEU 10 -2.922 -0.345 -3.979 57 HB3 LEU 10 2HB LEU 10 -2.384 0.762 -5.238 58 HG LEU 10 HG LEU 10 -4.949 -0.894 -5.329 59 HD11 LEU 10 1HD1 LEU 10 -4.502 2.077 -4.835 60 HD12 LEU 10 2HD1 LEU 10 -4.967 0.868 -3.615 61 HD13 LEU 10 3HD1 LEU 10 -6.071 1.243 -4.948 62 HD21 LEU 10 3HD2 LEU 10 -5.534 0.562 -7.242 63 HD22 LEU 10 1HD2 LEU 10 -4.099 -0.409 -7.598 64 HD23 LEU 10 2HD2 LEU 10 -3.924 1.312 -7.174 65 H LYS 11 H LYS 11 0.161 -0.185 -6.117 66 HA LYS 11 HA LYS 11 1.603 -1.835 -4.060 67 HB2 LYS 11 1HB LYS 11 2.539 -1.086 -6.857 68 HB3 LYS 11 2HB LYS 11 3.521 -1.881 -5.620 69 HG2 LYS 11 1HG LYS 11 1.922 -3.795 -5.588 70 HG3 LYS 11 2HG LYS 11 0.987 -3.026 -6.883 71 HD2 LYS 11 1HD LYS 11 2.980 -3.092 -8.362 72 HD3 LYS 11 2HD LYS 11 3.908 -3.888 -7.071 73 HE2 LYS 11 1HE LYS 11 2.284 -5.770 -7.071 74 HE3 LYS 11 2HE LYS 11 1.359 -4.978 -8.353 75 HZ1 LYS 11 3HZ LYS 11 3.318 -5.173 -9.795 76 HZ2 LYS 11 1HZ LYS 11 2.874 -6.648 -9.257 77 HZ3 LYS 11 2HZ LYS 11 4.173 -5.907 -8.609 78 H CYS 12 H CYS 12 3.276 -0.968 -2.963 79 HA CYS 12 HA CYS 12 3.307 1.856 -2.494 80 HB2 CYS 12 1HB CYS 12 3.738 0.031 -0.870 81 HB3 CYS 12 2HB CYS 12 5.283 -0.295 -1.679 82 HA PRO 13 HA PRO 13 6.176 2.803 -5.838 83 HB2 PRO 13 1HB PRO 13 6.441 5.485 -5.534 84 HB3 PRO 13 2HB PRO 13 4.879 4.736 -5.984 85 HG2 PRO 13 1HG PRO 13 5.809 5.562 -3.209 86 HG3 PRO 13 2HG PRO 13 4.265 5.979 -4.025 87 HD2 PRO 13 1HD PRO 13 4.486 3.874 -2.288 88 HD3 PRO 13 2HD PRO 13 3.405 3.813 -3.714 89 H THR 14 H THR 14 7.090 2.856 -2.544 90 HA THR 14 HA THR 14 9.705 4.121 -2.826 91 HB THR 14 HB THR 14 8.551 2.429 -0.583 92 HG1 THR 14 1HG THR 14 7.470 4.356 -0.856 93 HG21 THR 14 3HG2 THR 14 10.973 2.414 -0.348 94 HG22 THR 14 1HG2 THR 14 10.306 3.573 0.804 95 HG23 THR 14 2HG2 THR 14 11.061 4.161 -0.692 96 H ASP 15 H ASP 15 11.598 3.241 -3.445 97 HA ASP 15 HA ASP 15 11.626 0.753 -4.784 98 HB2 ASP 15 1HB ASP 15 13.009 2.735 -5.322 99 HB3 ASP 15 2HB ASP 15 13.948 2.483 -3.852 100 H GLY 16 H GLY 16 12.668 1.506 -1.489 101 HA2 GLY 16 1HA GLY 16 13.873 -1.116 -0.971 102 HA3 GLY 16 2HA GLY 16 13.609 0.189 0.184 103 H CYS 17 H CYS 17 10.688 -0.427 -1.404 104 HA CYS 17 HA CYS 17 9.635 -1.962 0.925 105 HB2 CYS 17 1HB CYS 17 9.071 0.477 0.506 106 HB3 CYS 17 2HB CYS 17 8.150 -0.076 -0.905 107 H ASP 18 H ASP 18 7.795 -3.269 0.544 108 HA ASP 18 HA ASP 18 7.607 -4.645 -2.112 109 HB2 ASP 18 1HB ASP 18 8.054 -5.953 0.600 110 HB3 ASP 18 2HB ASP 18 7.555 -6.831 -0.840 111 H TYR 19 H TYR 19 5.891 -2.909 0.016 112 HA TYR 19 HA TYR 19 3.675 -4.608 0.680 113 HB2 TYR 19 1HB TYR 19 4.350 -2.759 2.062 114 HB3 TYR 19 2HB TYR 19 4.113 -1.620 0.751 115 HD1 TYR 19 2HD TYR 19 2.433 -3.722 3.293 116 HD2 TYR 19 1HD TYR 19 1.859 -0.835 0.134 117 HE1 TYR 19 2HE TYR 19 0.113 -3.302 4.093 118 HE2 TYR 19 1HE TYR 19 -0.445 -0.405 0.955 119 HH TYR 19 HH TYR 19 -1.811 -2.105 3.798 120 H SER 20 H SER 20 1.678 -4.849 -0.124 121 HA SER 20 HA SER 20 0.641 -3.113 -2.229 122 HB2 SER 20 1HB SER 20 -0.048 -4.947 -3.696 123 HB3 SER 20 2HB SER 20 1.714 -4.888 -3.531 124 HG SER 20 HG SER 20 0.965 -7.027 -3.336 125 H THR 21 H THR 21 -1.626 -3.201 -2.500 126 HA THR 21 HA THR 21 -3.324 -4.793 -0.723 127 HB THR 21 HB THR 21 -2.602 -3.145 0.877 128 HG1 THR 21 1HG THR 21 -4.534 -2.512 1.512 129 HG21 THR 21 3HG2 THR 21 -1.922 -1.294 -0.672 130 HG22 THR 21 1HG2 THR 21 -2.980 -0.755 0.640 131 HG23 THR 21 2HG2 THR 21 -3.637 -0.970 -0.993 132 HA PRO 22 HA PRO 22 -6.103 -3.545 -4.056 133 HB2 PRO 22 1HB PRO 22 -8.510 -4.449 -3.185 134 HB3 PRO 22 2HB PRO 22 -7.185 -5.559 -3.652 135 HG2 PRO 22 1HG PRO 22 -7.926 -4.620 -0.858 136 HG3 PRO 22 2HG PRO 22 -7.660 -6.303 -1.421 137 HD2 PRO 22 1HD PRO 22 -5.709 -4.846 -0.193 138 HD3 PRO 22 2HD PRO 22 -5.321 -6.002 -1.487 139 H ASP 23 H ASP 23 -6.084 -2.102 -0.942 140 HA ASP 23 HA ASP 23 -8.359 -0.267 -1.537 141 HB2 ASP 23 1HB ASP 23 -8.211 -1.743 0.599 142 HB3 ASP 23 2HB ASP 23 -6.934 -0.683 1.075 143 H LYS 24 H LYS 24 -7.924 1.745 -2.228 144 HA LYS 24 HA LYS 24 -5.313 2.951 -2.215 145 HB2 LYS 24 1HB LYS 24 -6.371 4.892 -3.134 146 HB3 LYS 24 2HB LYS 24 -7.065 3.456 -3.881 147 HG2 LYS 24 1HG LYS 24 -9.068 3.665 -2.382 148 HG3 LYS 24 2HG LYS 24 -8.359 5.132 -1.672 149 HD2 LYS 24 1HD LYS 24 -8.345 6.206 -3.910 150 HD3 LYS 24 2HD LYS 24 -9.097 4.750 -4.603 151 HE2 LYS 24 1HE LYS 24 -11.043 5.046 -3.084 152 HE3 LYS 24 2HE LYS 24 -10.289 6.493 -2.400 153 HZ1 LYS 24 3HZ LYS 24 -11.899 7.074 -4.120 154 HZ2 LYS 24 1HZ LYS 24 -11.111 6.188 -5.240 155 HZ3 LYS 24 2HZ LYS 24 -10.409 7.521 -4.607 156 H TYR 25 H TYR 25 -7.807 2.954 0.250 157 HA TYR 25 HA TYR 25 -6.586 5.240 1.666 158 HB2 TYR 25 1HB TYR 25 -8.832 3.363 2.495 159 HB3 TYR 25 2HB TYR 25 -8.324 4.802 3.358 160 HD1 TYR 25 1HD TYR 25 -8.566 7.089 2.264 161 HD2 TYR 25 2HD TYR 25 -10.399 3.524 0.668 162 HE1 TYR 25 1HE TYR 25 -10.175 8.488 0.967 163 HE2 TYR 25 2HE TYR 25 -12.025 4.919 -0.591 164 HH TYR 25 HH TYR 25 -12.757 7.044 -1.058 165 H LYS 26 H LYS 26 -6.369 1.720 1.739 166 HA LYS 26 HA LYS 26 -4.798 1.666 4.239 167 HB2 LYS 26 1HB LYS 26 -5.058 -0.431 2.055 168 HB3 LYS 26 2HB LYS 26 -4.268 -0.650 3.605 169 HG2 LYS 26 1HG LYS 26 -6.411 -0.168 4.787 170 HG3 LYS 26 2HG LYS 26 -7.233 -0.050 3.249 171 HD2 LYS 26 1HD LYS 26 -6.604 -2.445 2.763 172 HD3 LYS 26 2HD LYS 26 -5.765 -2.499 4.318 173 HE2 LYS 26 1HE LYS 26 -7.810 -3.485 4.825 174 HE3 LYS 26 2HE LYS 26 -7.998 -1.829 5.405 175 HZ1 LYS 26 3HZ LYS 26 -9.949 -2.482 4.172 176 HZ2 LYS 26 1HZ LYS 26 -9.086 -2.948 2.874 177 HZ3 LYS 26 2HZ LYS 26 -9.198 -1.362 3.248 178 H LEU 27 H LEU 27 -4.093 1.673 0.721 179 HA LEU 27 HA LEU 27 -1.273 1.659 1.004 180 HB2 LEU 27 1HB LEU 27 -2.455 1.205 -1.114 181 HB3 LEU 27 2HB LEU 27 -2.966 2.892 -1.186 182 HG LEU 27 HG LEU 27 -0.641 3.637 -1.454 183 HD11 LEU 27 1HD1 LEU 27 1.179 1.989 -1.830 184 HD12 LEU 27 2HD1 LEU 27 0.098 0.678 -1.317 185 HD13 LEU 27 3HD1 LEU 27 0.601 1.948 -0.170 186 HD21 LEU 27 3HD2 LEU 27 -1.961 2.932 -3.451 187 HD22 LEU 27 1HD2 LEU 27 -1.226 1.315 -3.315 188 HD23 LEU 27 2HD2 LEU 27 -0.212 2.730 -3.662 189 H GLN 28 H GLN 28 -3.439 4.576 0.644 190 HA GLN 28 HA GLN 28 -1.313 6.435 0.768 191 HB2 GLN 28 1HB GLN 28 -2.914 8.084 0.938 192 HB3 GLN 28 2HB GLN 28 -3.780 6.729 0.210 193 HG2 GLN 28 1HG GLN 28 -4.769 6.208 2.426 194 HG3 GLN 28 2HG GLN 28 -4.045 7.692 3.056 195 HE21 GLN 28 1HE2 GLN 28 -5.928 6.723 0.088 196 HE22 GLN 28 2HE2 GLN 28 -7.031 8.093 0.206 197 H ALA 29 H ALA 29 -3.019 4.836 3.406 198 HA ALA 29 HA ALA 29 -1.744 6.371 5.446 199 HB1 ALA 29 1HB ALA 29 -3.144 3.664 5.558 200 HB2 ALA 29 2HB ALA 29 -2.744 4.680 6.963 201 HB3 ALA 29 3HB ALA 29 -3.910 5.257 5.751 202 H HIS 30 H HIS 30 -0.832 3.440 3.661 203 HA HIS 30 HA HIS 30 1.515 2.807 5.322 204 HB2 HIS 30 1HB HIS 30 0.374 1.036 4.134 205 HB3 HIS 30 2HB HIS 30 0.547 1.870 2.593 206 HD1 HIS 30 1HD HIS 30 2.663 -0.145 5.077 207 HD2 HIS 30 2HD HIS 30 2.926 1.878 1.404 208 HE1 HIS 30 1HE HIS 30 4.948 -0.725 4.130 209 H LEU 31 H LEU 31 0.976 4.808 2.351 210 HA LEU 31 HA LEU 31 3.691 5.217 1.680 211 HB2 LEU 31 1HB LEU 31 1.482 7.293 1.696 212 HB3 LEU 31 2HB LEU 31 3.002 7.452 0.842 213 HG LEU 31 HG LEU 31 0.782 5.492 0.187 214 HD11 LEU 31 1HD1 LEU 31 0.397 7.834 -0.485 215 HD12 LEU 31 2HD1 LEU 31 0.614 6.763 -1.879 216 HD13 LEU 31 3HD1 LEU 31 1.943 7.828 -1.364 217 HD21 LEU 31 3HD2 LEU 31 2.136 4.879 -1.783 218 HD22 LEU 31 1HD2 LEU 31 2.908 4.379 -0.278 219 HD23 LEU 31 2HD2 LEU 31 3.496 5.826 -1.131 220 H LYS 32 H LYS 32 1.904 6.601 4.376 221 HA LYS 32 HA LYS 32 3.798 8.589 5.208 222 HB2 LYS 32 1HB LYS 32 1.704 7.066 6.815 223 HB3 LYS 32 2HB LYS 32 2.549 8.519 7.353 224 HG2 LYS 32 1HG LYS 32 1.581 9.825 5.509 225 HG3 LYS 32 2HG LYS 32 0.742 8.389 4.896 226 HD2 LYS 32 1HD LYS 32 -0.483 8.188 7.054 227 HD3 LYS 32 2HD LYS 32 0.269 9.683 7.620 228 HE2 LYS 32 1HE LYS 32 -1.469 9.424 5.116 229 HE3 LYS 32 2HE LYS 32 -2.070 9.927 6.699 230 HZ1 LYS 32 3HZ LYS 32 -0.554 11.835 6.607 231 HZ2 LYS 32 1HZ LYS 32 -1.575 11.852 5.336 232 HZ3 LYS 32 2HZ LYS 32 -0.025 11.396 5.122 233 H VAL 33 H VAL 33 3.891 5.074 5.701 234 HA VAL 33 HA VAL 33 5.452 5.112 8.097 235 HB VAL 33 HB VAL 33 5.877 2.865 7.802 236 HG11 VAL 33 1HG1 VAL 33 3.794 1.797 7.279 237 HG12 VAL 33 2HG1 VAL 33 3.563 3.272 8.243 238 HG13 VAL 33 3HG1 VAL 33 3.214 3.279 6.507 239 HG21 VAL 33 3HG2 VAL 33 5.460 3.036 4.847 240 HG22 VAL 33 1HG2 VAL 33 6.937 2.625 5.724 241 HG23 VAL 33 2HG2 VAL 33 5.562 1.525 5.767 242 H HIS 34 H HIS 34 6.333 5.640 4.788 243 HA HIS 34 HA HIS 34 9.186 5.221 5.152 244 HB2 HIS 34 1HB HIS 34 7.557 6.283 2.814 245 HB3 HIS 34 2HB HIS 34 9.269 5.853 2.763 246 HD1 HIS 34 1HD HIS 34 9.726 3.146 3.582 247 HD2 HIS 34 2HD HIS 34 5.854 4.284 2.405 248 HE1 HIS 34 1HE HIS 34 8.462 0.988 3.160 249 H THR 35 H THR 35 7.320 7.740 6.205 250 HA THR 35 HA THR 35 9.252 9.913 5.716 251 HB THR 35 HB THR 35 7.934 11.223 7.261 252 HG1 THR 35 1HG THR 35 6.204 9.002 7.568 253 HG21 THR 35 3HG2 THR 35 6.106 9.708 5.349 254 HG22 THR 35 1HG2 THR 35 7.132 11.100 4.943 255 HG23 THR 35 2HG2 THR 35 5.794 11.294 6.089 256 H ALA 36 H ALA 36 9.223 7.206 7.722 257 HA ALA 36 HA ALA 36 11.373 8.257 9.475 258 HB1 ALA 36 1HB ALA 36 9.196 8.493 10.671 259 HB2 ALA 36 2HB ALA 36 8.884 6.761 10.427 260 HB3 ALA 36 3HB ALA 36 10.240 7.293 11.446 261 H LEU 37 H LEU 37 12.028 6.199 10.917 262 HA LEU 37 HA LEU 37 13.112 4.253 11.087 263 HB2 LEU 37 1HB LEU 37 11.071 3.132 9.155 264 HB3 LEU 37 2HB LEU 37 12.023 2.235 10.325 265 HG LEU 37 HG LEU 37 9.851 4.266 11.005 266 HD11 LEU 37 1HD1 LEU 37 9.909 1.232 11.233 267 HD12 LEU 37 2HD1 LEU 37 8.993 2.174 10.034 268 HD13 LEU 37 3HD1 LEU 37 8.589 2.304 11.754 269 HD21 LEU 37 3HD2 LEU 37 11.491 2.439 12.817 270 HD22 LEU 37 1HD2 LEU 37 10.082 3.401 13.319 271 HD23 LEU 37 2HD2 LEU 37 11.554 4.217 12.784 272 H ASP 38 H ASP 38 13.725 5.979 8.522 273 HA ASP 38 HA ASP 38 15.964 4.269 7.643 274 HB2 ASP 38 1HB ASP 38 14.151 3.752 6.048 275 HB3 ASP 38 2HB ASP 38 13.946 5.465 5.701
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