NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588734 | 2ruy | 11478 | 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 23.936 23.479 2.017 2 H2 GLY 1 2H GLY 1 23.216 23.753 0.569 3 H3 GLY 1 3H GLY 1 24.340 22.573 0.712 4 HA2 GLY 1 1HA GLY 1 22.924 21.307 2.191 5 HA3 GLY 1 2HA GLY 1 21.706 22.587 2.037 6 H SER 2 H SER 2 20.714 20.276 1.450 7 HA SER 2 HA SER 2 20.317 20.251 -1.478 8 HB2 SER 2 1HB SER 2 20.631 17.818 -1.620 9 HB3 SER 2 2HB SER 2 22.125 18.644 -1.160 10 HG SER 2 HG SER 2 21.737 16.778 0.125 11 H SER 3 H SER 3 18.499 18.843 -2.124 12 HA SER 3 HA SER 3 16.481 18.210 -0.058 13 HB2 SER 3 1HB SER 3 14.724 19.444 -1.249 14 HB3 SER 3 2HB SER 3 15.986 20.524 -0.640 15 HG SER 3 HG SER 3 15.390 21.025 -2.801 16 H GLY 4 H GLY 4 14.656 16.959 -0.902 17 HA2 GLY 4 1HA GLY 4 14.480 15.794 -3.468 18 HA3 GLY 4 2HA GLY 4 15.516 14.750 -2.493 19 H SER 5 H SER 5 13.633 13.307 -3.136 20 HA SER 5 HA SER 5 11.130 13.534 -1.667 21 HB2 SER 5 1HB SER 5 10.691 11.289 -2.662 22 HB3 SER 5 2HB SER 5 11.083 12.550 -3.840 23 HG SER 5 HG SER 5 12.209 10.583 -4.251 24 H SER 6 H SER 6 10.302 11.756 -0.316 25 HA SER 6 HA SER 6 12.045 11.181 1.935 26 HB2 SER 6 1HB SER 6 9.978 10.125 2.856 27 HB3 SER 6 2HB SER 6 9.772 11.805 2.345 28 HG SER 6 HG SER 6 8.053 10.456 1.626 29 H GLY 7 H GLY 7 11.997 8.954 2.946 30 HA2 GLY 7 1HA GLY 7 13.391 7.080 1.329 31 HA3 GLY 7 2HA GLY 7 12.749 6.775 2.939 32 H HIS 8 H HIS 8 12.874 4.836 0.909 33 HA HIS 8 HA HIS 8 10.596 4.636 -0.737 34 HB2 HIS 8 1HB HIS 8 12.681 3.440 -1.156 35 HB3 HIS 8 2HB HIS 8 12.445 2.457 0.292 36 HD1 HIS 8 1HD HIS 8 10.621 0.462 0.098 37 HD2 HIS 8 2HD HIS 8 11.121 2.873 -3.317 38 HE1 HIS 8 1HE HIS 8 9.358 -0.701 -1.790 39 H LEU 9 H LEU 9 8.637 3.873 -0.572 40 HA LEU 9 HA LEU 9 7.785 1.968 1.508 41 HB2 LEU 9 1HB LEU 9 6.323 4.562 0.844 42 HB3 LEU 9 2HB LEU 9 5.619 3.226 1.752 43 HG LEU 9 HG LEU 9 8.031 4.840 2.685 44 HD11 LEU 9 1HD1 LEU 9 5.982 6.197 2.624 45 HD12 LEU 9 2HD1 LEU 9 6.458 5.840 4.291 46 HD13 LEU 9 3HD1 LEU 9 5.110 4.952 3.541 47 HD21 LEU 9 3HD2 LEU 9 7.577 3.773 4.868 48 HD22 LEU 9 1HD2 LEU 9 7.963 2.554 3.651 49 HD23 LEU 9 2HD2 LEU 9 6.274 2.810 4.139 50 H TYR 10 H TYR 10 5.921 0.749 0.822 51 HA TYR 10 HA TYR 10 5.817 0.379 -2.117 52 HB2 TYR 10 1HB TYR 10 4.650 -1.241 0.175 53 HB3 TYR 10 2HB TYR 10 4.531 -1.652 -1.529 54 HD1 TYR 10 1HD TYR 10 6.948 -1.196 1.279 55 HD2 TYR 10 2HD TYR 10 6.320 -2.744 -2.693 56 HE1 TYR 10 1HE TYR 10 9.139 -2.401 1.398 57 HE2 TYR 10 2HE TYR 10 8.491 -3.958 -2.566 58 HH TYR 10 HH TYR 10 10.342 -4.427 -1.295 59 H TYR 11 H TYR 11 4.184 1.180 -3.333 60 HA TYR 11 HA TYR 11 2.036 2.686 -1.973 61 HB2 TYR 11 1HB TYR 11 3.241 2.787 -4.734 62 HB3 TYR 11 2HB TYR 11 1.682 3.515 -4.399 63 HD1 TYR 11 1HD TYR 11 5.288 3.621 -3.404 64 HD2 TYR 11 2HD TYR 11 1.445 5.584 -3.252 65 HE1 TYR 11 1HE TYR 11 6.363 5.651 -2.455 66 HE2 TYR 11 2HE TYR 11 2.527 7.621 -2.313 67 HH TYR 11 HH TYR 11 6.055 7.792 -1.689 68 H CYS 12 H CYS 12 -0.070 2.526 -2.295 69 HA CYS 12 HA CYS 12 -1.311 0.048 -2.585 70 HB2 CYS 12 1HB CYS 12 -2.125 1.931 -1.301 71 HB3 CYS 12 2HB CYS 12 -2.327 2.901 -2.765 72 H SER 13 H SER 13 -2.686 -0.843 -4.051 73 HA SER 13 HA SER 13 -2.035 -0.554 -6.875 74 HB2 SER 13 1HB SER 13 -4.145 -2.260 -5.498 75 HB3 SER 13 2HB SER 13 -3.604 -2.415 -7.181 76 HG SER 13 HG SER 13 -2.527 -3.905 -5.828 77 H GLN 14 H GLN 14 -4.440 0.908 -4.837 78 HA GLN 14 HA GLN 14 -6.010 1.772 -7.245 79 HB2 GLN 14 1HB GLN 14 -7.153 0.735 -4.628 80 HB3 GLN 14 2HB GLN 14 -8.076 1.481 -5.934 81 HG2 GLN 14 1HG GLN 14 -7.188 -0.349 -7.482 82 HG3 GLN 14 2HG GLN 14 -6.527 -1.136 -6.048 83 HE21 GLN 14 1HE2 GLN 14 -7.848 -3.025 -6.305 84 HE22 GLN 14 2HE2 GLN 14 -9.588 -2.965 -6.052 85 H CYS 15 H CYS 15 -4.367 2.937 -4.484 86 HA CYS 15 HA CYS 15 -5.368 5.624 -5.114 87 HB2 CYS 15 1HB CYS 15 -6.029 6.259 -2.949 88 HB3 CYS 15 2HB CYS 15 -6.861 4.756 -3.297 89 H HIS 16 H HIS 16 -4.164 7.061 -3.126 90 HA HIS 16 HA HIS 16 -1.337 6.930 -3.969 91 HB2 HIS 16 1HB HIS 16 -1.208 9.225 -3.254 92 HB3 HIS 16 2HB HIS 16 -2.606 9.004 -4.296 93 HD1 HIS 16 1HD HIS 16 -1.782 9.545 -0.553 94 HD2 HIS 16 2HD HIS 16 -4.986 9.635 -3.281 95 HE1 HIS 16 1HE HIS 16 -3.764 10.544 0.706 96 H TYR 17 H TYR 17 -2.941 5.576 -1.404 97 HA TYR 17 HA TYR 17 -1.269 6.233 0.840 98 HB2 TYR 17 1HB TYR 17 -3.477 5.183 1.034 99 HB3 TYR 17 2HB TYR 17 -2.893 3.758 0.181 100 HD1 TYR 17 1HD TYR 17 -2.508 5.734 3.331 101 HD2 TYR 17 2HD TYR 17 -1.807 1.976 1.325 102 HE1 TYR 17 1HE TYR 17 -1.858 4.686 5.502 103 HE2 TYR 17 2HE TYR 17 -1.185 0.931 3.492 104 HH TYR 17 HH TYR 17 -0.902 1.244 5.754 105 H SER 18 H SER 18 0.406 4.992 1.846 106 HA SER 18 HA SER 18 1.611 2.783 0.379 107 HB2 SER 18 1HB SER 18 3.873 3.720 0.337 108 HB3 SER 18 2HB SER 18 2.752 4.690 -0.619 109 HG SER 18 HG SER 18 3.986 6.077 0.634 110 H SER 19 H SER 19 3.101 1.517 1.564 111 HA SER 19 HA SER 19 3.240 1.943 4.505 112 HB2 SER 19 1HB SER 19 1.112 0.693 3.866 113 HB3 SER 19 2HB SER 19 2.157 -0.647 3.355 114 HG SER 19 HG SER 19 1.398 -0.719 5.596 115 H ILE 20 H ILE 20 4.421 0.065 5.559 116 HA ILE 20 HA ILE 20 6.945 -0.493 4.104 117 HB ILE 20 HB ILE 20 7.704 -1.447 6.290 118 HG12 ILE 20 1HG1 ILE 20 5.251 -0.049 7.464 119 HG13 ILE 20 2HG1 ILE 20 5.450 -1.797 7.353 120 HG21 ILE 20 1HG2 ILE 20 8.287 0.808 5.412 121 HG22 ILE 20 2HG2 ILE 20 6.916 1.494 6.313 122 HG23 ILE 20 3HG2 ILE 20 8.281 0.748 7.171 123 HD11 ILE 20 3HD1 ILE 20 5.987 -1.130 9.584 124 HD12 ILE 20 1HD1 ILE 20 7.491 -1.640 8.790 125 HD13 ILE 20 2HD1 ILE 20 7.139 0.091 9.026 126 H THR 21 H THR 21 7.367 -2.315 3.174 127 HA THR 21 HA THR 21 7.154 -4.289 2.166 128 HB THR 21 HB THR 21 6.719 -6.290 3.287 129 HG1 THR 21 1HG THR 21 5.346 -4.677 5.133 130 HG21 THR 21 3HG2 THR 21 8.766 -5.111 4.071 131 HG22 THR 21 1HG2 THR 21 8.061 -6.195 5.285 132 HG23 THR 21 2HG2 THR 21 7.835 -4.441 5.432 133 H LYS 22 H LYS 22 5.880 -5.693 0.937 134 HA LYS 22 HA LYS 22 3.190 -4.842 0.267 135 HB2 LYS 22 1HB LYS 22 4.710 -7.401 -0.391 136 HB3 LYS 22 2HB LYS 22 3.149 -6.936 -1.081 137 HG2 LYS 22 1HG LYS 22 4.174 -4.860 -2.008 138 HG3 LYS 22 2HG LYS 22 5.753 -5.375 -1.382 139 HD2 LYS 22 1HD LYS 22 5.641 -7.430 -2.767 140 HD3 LYS 22 2HD LYS 22 4.064 -6.913 -3.405 141 HE2 LYS 22 1HE LYS 22 5.112 -4.854 -4.321 142 HE3 LYS 22 2HE LYS 22 6.681 -5.366 -3.684 143 HZ1 LYS 22 3HZ LYS 22 5.111 -6.846 -5.731 144 HZ2 LYS 22 1HZ LYS 22 6.561 -7.319 -5.143 145 HZ3 LYS 22 2HZ LYS 22 6.444 -5.955 -6.030 146 H ASN 23 H ASN 23 4.472 -7.131 2.579 147 HA ASN 23 HA ASN 23 2.135 -8.689 3.062 148 HB2 ASN 23 1HB ASN 23 4.507 -8.046 4.878 149 HB3 ASN 23 2HB ASN 23 3.342 -9.337 5.140 150 HD21 ASN 23 1HD2 ASN 23 3.397 -11.221 3.740 151 HD22 ASN 23 2HD2 ASN 23 4.801 -11.509 2.725 152 H CYS 24 H CYS 24 3.092 -5.511 4.359 153 HA CYS 24 HA CYS 24 0.700 -5.442 6.115 154 HB2 CYS 24 1HB CYS 24 2.947 -4.410 6.734 155 HB3 CYS 24 2HB CYS 24 2.621 -3.180 5.495 156 HG CYS 24 HG CYS 24 2.053 -2.184 7.842 157 H LEU 25 H LEU 25 1.875 -3.851 3.093 158 HA LEU 25 HA LEU 25 -0.246 -2.149 2.672 159 HB2 LEU 25 1HB LEU 25 1.910 -2.202 1.418 160 HB3 LEU 25 2HB LEU 25 1.366 -3.669 0.599 161 HG LEU 25 HG LEU 25 -0.547 -2.366 -0.398 162 HD11 LEU 25 1HD1 LEU 25 -0.360 0.115 -0.400 163 HD12 LEU 25 2HD1 LEU 25 0.935 0.016 0.807 164 HD13 LEU 25 3HD1 LEU 25 -0.718 -0.510 1.209 165 HD21 LEU 25 3HD2 LEU 25 2.206 -1.253 -0.980 166 HD22 LEU 25 1HD2 LEU 25 0.796 -1.293 -2.066 167 HD23 LEU 25 2HD2 LEU 25 1.577 -2.801 -1.589 168 H LYS 26 H LYS 26 -0.125 -5.617 1.709 169 HA LYS 26 HA LYS 26 -2.496 -5.656 0.169 170 HB2 LYS 26 1HB LYS 26 -2.534 -8.033 0.478 171 HB3 LYS 26 2HB LYS 26 -0.871 -7.492 0.249 172 HG2 LYS 26 1HG LYS 26 -0.553 -7.596 2.751 173 HG3 LYS 26 2HG LYS 26 -2.168 -8.292 2.901 174 HD2 LYS 26 1HD LYS 26 0.144 -9.510 1.329 175 HD3 LYS 26 2HD LYS 26 -0.361 -9.985 2.959 176 HE2 LYS 26 1HE LYS 26 -2.613 -10.603 2.076 177 HE3 LYS 26 2HE LYS 26 -2.079 -10.185 0.443 178 HZ1 LYS 26 3HZ LYS 26 -0.881 -12.320 2.129 179 HZ2 LYS 26 1HZ LYS 26 -0.382 -11.929 0.621 180 HZ3 LYS 26 2HZ LYS 26 -1.866 -12.565 0.853 181 H ARG 27 H ARG 27 -2.239 -5.601 3.692 182 HA ARG 27 HA ARG 27 -5.004 -6.287 4.238 183 HB2 ARG 27 1HB ARG 27 -3.153 -6.467 5.879 184 HB3 ARG 27 2HB ARG 27 -2.992 -4.706 5.892 185 HG2 ARG 27 1HG ARG 27 -5.238 -4.458 6.848 186 HG3 ARG 27 2HG ARG 27 -5.528 -6.197 6.683 187 HD2 ARG 27 1HD ARG 27 -4.983 -5.652 8.992 188 HD3 ARG 27 2HD ARG 27 -3.724 -6.678 8.284 189 HE ARG 27 HE ARG 27 -3.001 -3.915 7.980 190 HH11 ARG 27 2HH1 ARG 27 -3.216 -6.293 10.543 191 HH12 ARG 27 1HH1 ARG 27 -1.954 -5.535 11.475 192 HH21 ARG 27 2HH2 ARG 27 -1.362 -3.030 9.194 193 HH22 ARG 27 1HH2 ARG 27 -0.949 -3.728 10.731 194 H HIS 28 H HIS 28 -3.377 -3.168 3.596 195 HA HIS 28 HA HIS 28 -5.721 -1.517 3.977 196 HB2 HIS 28 1HB HIS 28 -3.603 -0.434 3.921 197 HB3 HIS 28 2HB HIS 28 -3.152 -1.175 2.396 198 HD1 HIS 28 1HD HIS 28 -5.193 1.754 3.712 199 HD2 HIS 28 2HD HIS 28 -4.116 -0.147 0.127 200 HE1 HIS 28 1HE HIS 28 -5.926 3.324 1.858 201 H VAL 29 H VAL 29 -4.409 -3.206 1.065 202 HA VAL 29 HA VAL 29 -6.511 -2.295 -0.672 203 HB VAL 29 HB VAL 29 -4.755 -4.758 -0.966 204 HG11 VAL 29 1HG1 VAL 29 -6.378 -3.187 -3.024 205 HG12 VAL 29 2HG1 VAL 29 -5.218 -4.481 -3.396 206 HG13 VAL 29 3HG1 VAL 29 -6.688 -4.858 -2.498 207 HG21 VAL 29 3HG2 VAL 29 -4.428 -1.908 -2.022 208 HG22 VAL 29 1HG2 VAL 29 -3.406 -2.685 -0.795 209 HG23 VAL 29 2HG2 VAL 29 -3.397 -3.290 -2.449 210 H ILE 30 H ILE 30 -6.275 -5.229 1.342 211 HA ILE 30 HA ILE 30 -8.767 -6.402 0.548 212 HB ILE 30 HB ILE 30 -7.042 -6.618 3.036 213 HG12 ILE 30 1HG1 ILE 30 -7.610 -8.714 0.901 214 HG13 ILE 30 2HG1 ILE 30 -6.323 -7.541 0.703 215 HG21 ILE 30 1HG2 ILE 30 -9.545 -8.244 2.401 216 HG22 ILE 30 2HG2 ILE 30 -8.370 -8.641 3.669 217 HG23 ILE 30 3HG2 ILE 30 -9.308 -7.166 3.795 218 HD11 ILE 30 3HD1 ILE 30 -6.507 -9.634 2.905 219 HD12 ILE 30 1HD1 ILE 30 -5.364 -9.568 1.556 220 HD13 ILE 30 2HD1 ILE 30 -5.280 -8.348 2.840 221 H GLN 31 H GLN 31 -8.028 -4.094 3.216 222 HA GLN 31 HA GLN 31 -10.797 -4.188 4.145 223 HB2 GLN 31 1HB GLN 31 -8.347 -2.643 5.058 224 HB3 GLN 31 2HB GLN 31 -9.928 -2.543 5.843 225 HG2 GLN 31 1HG GLN 31 -9.912 -4.962 6.295 226 HG3 GLN 31 2HG GLN 31 -8.339 -5.129 5.520 227 HE21 GLN 31 1HE2 GLN 31 -8.439 -6.074 8.036 228 HE22 GLN 31 2HE2 GLN 31 -7.686 -4.949 9.158 229 H LYS 32 H LYS 32 -8.887 -1.784 2.326 230 HA LYS 32 HA LYS 32 -11.093 0.206 2.614 231 HB2 LYS 32 1HB LYS 32 -8.239 0.615 1.655 232 HB3 LYS 32 2HB LYS 32 -9.417 1.865 2.016 233 HG2 LYS 32 1HG LYS 32 -8.138 -0.028 4.035 234 HG3 LYS 32 2HG LYS 32 -7.793 1.685 3.806 235 HD2 LYS 32 1HD LYS 32 -10.140 2.243 4.481 236 HD3 LYS 32 2HD LYS 32 -10.450 0.523 4.741 237 HE2 LYS 32 1HE LYS 32 -10.030 1.368 6.881 238 HE3 LYS 32 2HE LYS 32 -8.571 0.485 6.428 239 HZ1 LYS 32 3HZ LYS 32 -8.066 2.650 7.429 240 HZ2 LYS 32 1HZ LYS 32 -8.911 3.442 6.283 241 HZ3 LYS 32 2HZ LYS 32 -7.538 2.645 5.887 242 H HIS 33 H HIS 33 -9.998 -1.924 0.186 243 HA HIS 33 HA HIS 33 -11.452 -0.342 -1.896 244 HB2 HIS 33 1HB HIS 33 -8.816 -1.817 -2.239 245 HB3 HIS 33 2HB HIS 33 -9.729 -1.023 -3.512 246 HD1 HIS 33 1HD HIS 33 -10.250 1.812 -2.571 247 HD2 HIS 33 2HD HIS 33 -6.791 -0.368 -1.614 248 HE1 HIS 33 1HE HIS 33 -8.493 3.541 -1.966 249 H SER 34 H SER 34 -12.048 -1.572 -3.813 250 HA SER 34 HA SER 34 -13.220 -4.194 -3.233 251 HB2 SER 34 1HB SER 34 -13.082 -2.579 -5.809 252 HB3 SER 34 2HB SER 34 -14.033 -4.054 -5.546 253 HG SER 34 HG SER 34 -15.276 -2.133 -5.245 254 H ASN 35 H ASN 35 -11.582 -5.655 -2.882 255 HA ASN 35 HA ASN 35 -9.259 -5.833 -4.628 256 HB2 ASN 35 1HB ASN 35 -9.218 -6.087 -2.127 257 HB3 ASN 35 2HB ASN 35 -10.099 -7.606 -2.304 258 HD21 ASN 35 1HD2 ASN 35 -8.326 -8.774 -1.337 259 HD22 ASN 35 2HD2 ASN 35 -6.833 -9.021 -2.229 260 H ILE 36 H ILE 36 -11.239 -6.176 -6.324 261 HA ILE 36 HA ILE 36 -11.260 -9.043 -7.108 262 HB ILE 36 HB ILE 36 -13.702 -8.780 -7.736 263 HG12 ILE 36 1HG1 ILE 36 -15.121 -7.326 -6.395 264 HG13 ILE 36 2HG1 ILE 36 -13.728 -6.525 -5.680 265 HG21 ILE 36 1HG2 ILE 36 -14.473 -9.490 -5.555 266 HG22 ILE 36 2HG2 ILE 36 -12.867 -10.160 -5.866 267 HG23 ILE 36 3HG2 ILE 36 -13.053 -8.776 -4.768 268 HD11 ILE 36 3HD1 ILE 36 -13.181 -5.464 -7.791 269 HD12 ILE 36 1HD1 ILE 36 -14.366 -6.476 -8.663 270 HD13 ILE 36 2HD1 ILE 36 -14.912 -5.248 -7.506 271 H LEU 37 H LEU 37 -12.176 -9.354 -9.319 272 HA LEU 37 HA LEU 37 -10.941 -7.418 -11.207 273 HB2 LEU 37 1HB LEU 37 -11.773 -10.340 -11.474 274 HB3 LEU 37 2HB LEU 37 -11.294 -9.348 -12.827 275 HG LEU 37 HG LEU 37 -9.493 -10.758 -12.233 276 HD11 LEU 37 1HD1 LEU 37 -7.684 -9.174 -11.989 277 HD12 LEU 37 2HD1 LEU 37 -8.776 -7.950 -11.314 278 HD13 LEU 37 3HD1 LEU 37 -8.948 -8.463 -13.008 279 HD21 LEU 37 3HD2 LEU 37 -9.329 -9.496 -9.477 280 HD22 LEU 37 1HD2 LEU 37 -8.317 -10.783 -10.151 281 HD23 LEU 37 2HD2 LEU 37 -10.028 -11.098 -9.819 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 21.798 -3.636 -5.633 2 H2 GLY 1 2H GLY 1 20.468 -2.696 -5.438 3 H3 GLY 1 3H GLY 1 20.750 -3.424 -6.876 4 HA2 GLY 1 1HA GLY 1 20.446 -5.605 -5.912 5 HA3 GLY 1 2HA GLY 1 20.152 -4.822 -4.348 6 H SER 2 H SER 2 18.278 -6.558 -5.391 7 HA SER 2 HA SER 2 16.197 -5.151 -6.879 8 HB2 SER 2 1HB SER 2 14.976 -7.256 -6.653 9 HB3 SER 2 2HB SER 2 16.640 -7.541 -7.195 10 HG SER 2 HG SER 2 16.081 -8.987 -5.527 11 H SER 3 H SER 3 16.881 -5.602 -3.497 12 HA SER 3 HA SER 3 15.780 -5.288 -1.559 13 HB2 SER 3 1HB SER 3 14.250 -3.154 -3.076 14 HB3 SER 3 2HB SER 3 14.368 -3.306 -1.314 15 HG SER 3 HG SER 3 15.904 -1.818 -2.196 16 H GLY 4 H GLY 4 14.617 -7.323 -3.407 17 HA2 GLY 4 1HA GLY 4 11.810 -7.381 -3.380 18 HA3 GLY 4 2HA GLY 4 12.849 -8.803 -3.465 19 H SER 5 H SER 5 10.356 -7.577 -1.824 20 HA SER 5 HA SER 5 9.343 -7.782 0.165 21 HB2 SER 5 1HB SER 5 10.995 -10.299 0.499 22 HB3 SER 5 2HB SER 5 9.506 -9.890 1.368 23 HG SER 5 HG SER 5 9.186 -11.280 -0.463 24 H SER 6 H SER 6 12.002 -6.314 0.142 25 HA SER 6 HA SER 6 12.944 -6.540 2.925 26 HB2 SER 6 1HB SER 6 14.425 -6.122 0.912 27 HB3 SER 6 2HB SER 6 13.739 -4.485 0.844 28 HG SER 6 HG SER 6 15.708 -4.649 2.088 29 H GLY 7 H GLY 7 13.343 -4.288 3.981 30 HA2 GLY 7 1HA GLY 7 10.802 -3.182 4.811 31 HA3 GLY 7 2HA GLY 7 12.405 -2.689 5.358 32 H HIS 8 H HIS 8 11.190 -2.624 2.017 33 HA HIS 8 HA HIS 8 11.687 0.284 1.767 34 HB2 HIS 8 1HB HIS 8 12.439 -1.511 0.083 35 HB3 HIS 8 2HB HIS 8 10.743 -1.667 -0.363 36 HD1 HIS 8 1HD HIS 8 9.699 0.517 -1.719 37 HD2 HIS 8 2HD HIS 8 13.784 0.655 -0.684 38 HE1 HIS 8 1HE HIS 8 10.720 2.410 -3.078 39 H LEU 9 H LEU 9 9.965 1.613 0.700 40 HA LEU 9 HA LEU 9 7.275 1.073 1.779 41 HB2 LEU 9 1HB LEU 9 8.338 3.345 0.063 42 HB3 LEU 9 2HB LEU 9 6.689 3.225 0.671 43 HG LEU 9 HG LEU 9 9.194 3.482 2.394 44 HD11 LEU 9 1HD1 LEU 9 8.321 5.721 2.895 45 HD12 LEU 9 2HD1 LEU 9 6.939 5.446 1.810 46 HD13 LEU 9 3HD1 LEU 9 8.587 5.533 1.153 47 HD21 LEU 9 3HD2 LEU 9 7.510 2.228 3.642 48 HD22 LEU 9 1HD2 LEU 9 6.244 3.391 3.175 49 HD23 LEU 9 2HD2 LEU 9 7.569 3.879 4.256 50 H TYR 10 H TYR 10 5.539 0.456 0.707 51 HA TYR 10 HA TYR 10 5.634 -0.007 -2.242 52 HB2 TYR 10 1HB TYR 10 4.443 -1.778 -0.076 53 HB3 TYR 10 2HB TYR 10 4.048 -1.913 -1.782 54 HD1 TYR 10 1HD TYR 10 6.930 -2.123 0.603 55 HD2 TYR 10 2HD TYR 10 5.384 -3.148 -3.287 56 HE1 TYR 10 1HE TYR 10 8.845 -3.694 0.254 57 HE2 TYR 10 2HE TYR 10 7.290 -4.706 -3.635 58 HH TYR 10 HH TYR 10 9.200 -5.577 -2.778 59 H TYR 11 H TYR 11 3.716 0.463 -3.342 60 HA TYR 11 HA TYR 11 1.946 2.400 -1.907 61 HB2 TYR 11 1HB TYR 11 3.055 2.467 -4.729 62 HB3 TYR 11 2HB TYR 11 1.898 3.609 -4.068 63 HD1 TYR 11 2HD TYR 11 5.411 2.340 -3.686 64 HD2 TYR 11 1HD TYR 11 2.600 5.486 -2.779 65 HE1 TYR 11 2HE TYR 11 7.252 3.707 -2.719 66 HE2 TYR 11 1HE TYR 11 4.449 6.863 -1.844 67 HH TYR 11 HH TYR 11 6.689 6.978 -1.368 68 H CYS 12 H CYS 12 -0.200 2.509 -2.350 69 HA CYS 12 HA CYS 12 -1.590 0.152 -3.113 70 HB2 CYS 12 1HB CYS 12 -2.357 1.842 -1.507 71 HB3 CYS 12 2HB CYS 12 -2.509 3.031 -2.813 72 H SER 13 H SER 13 -2.817 -0.356 -4.877 73 HA SER 13 HA SER 13 -2.020 0.792 -7.484 74 HB2 SER 13 1HB SER 13 -3.742 -1.608 -6.786 75 HB3 SER 13 2HB SER 13 -3.278 -1.116 -8.429 76 HG SER 13 HG SER 13 -1.874 -2.722 -7.581 77 H GLN 14 H GLN 14 -4.591 1.262 -5.263 78 HA GLN 14 HA GLN 14 -6.447 2.262 -7.409 79 HB2 GLN 14 1HB GLN 14 -6.953 1.069 -4.669 80 HB3 GLN 14 2HB GLN 14 -8.165 2.013 -5.523 81 HG2 GLN 14 1HG GLN 14 -8.659 -0.260 -5.936 82 HG3 GLN 14 2HG GLN 14 -8.073 0.438 -7.441 83 HE21 GLN 14 1HE2 GLN 14 -6.779 -1.355 -4.550 84 HE22 GLN 14 2HE2 GLN 14 -5.743 -2.394 -5.518 85 H CYS 15 H CYS 15 -4.593 3.322 -4.619 86 HA CYS 15 HA CYS 15 -5.561 6.070 -5.017 87 HB2 CYS 15 1HB CYS 15 -6.271 6.433 -2.775 88 HB3 CYS 15 2HB CYS 15 -7.137 5.035 -3.388 89 H HIS 16 H HIS 16 -4.421 7.331 -2.918 90 HA HIS 16 HA HIS 16 -1.609 7.319 -3.744 91 HB2 HIS 16 1HB HIS 16 -3.138 9.203 -1.916 92 HB3 HIS 16 2HB HIS 16 -1.520 9.470 -2.562 93 HD1 HIS 16 1HD HIS 16 -1.458 9.622 -5.414 94 HD2 HIS 16 2HD HIS 16 -5.103 10.149 -3.376 95 HE1 HIS 16 1HE HIS 16 -3.037 10.762 -7.059 96 H TYR 17 H TYR 17 -3.109 5.577 -1.348 97 HA TYR 17 HA TYR 17 -1.482 6.050 0.952 98 HB2 TYR 17 1HB TYR 17 -3.660 4.949 1.021 99 HB3 TYR 17 2HB TYR 17 -3.042 3.611 0.060 100 HD1 TYR 17 1HD TYR 17 -2.856 5.277 3.389 101 HD2 TYR 17 2HD TYR 17 -1.789 1.812 1.047 102 HE1 TYR 17 1HE TYR 17 -2.169 4.081 5.464 103 HE2 TYR 17 2HE TYR 17 -1.117 0.618 3.130 104 HH TYR 17 HH TYR 17 -1.337 2.141 6.360 105 H SER 18 H SER 18 0.189 4.839 1.898 106 HA SER 18 HA SER 18 1.536 2.737 0.375 107 HB2 SER 18 1HB SER 18 3.758 3.721 0.558 108 HB3 SER 18 2HB SER 18 2.680 4.766 -0.381 109 HG SER 18 HG SER 18 3.893 5.981 1.121 110 H SER 19 H SER 19 2.990 1.464 1.596 111 HA SER 19 HA SER 19 3.057 1.801 4.540 112 HB2 SER 19 1HB SER 19 1.017 0.392 3.891 113 HB3 SER 19 2HB SER 19 2.163 -0.820 3.295 114 HG SER 19 HG SER 19 1.705 0.108 5.933 115 H ILE 20 H ILE 20 4.672 0.421 5.564 116 HA ILE 20 HA ILE 20 6.993 -0.133 3.845 117 HB ILE 20 HB ILE 20 7.340 0.950 5.985 118 HG12 ILE 20 1HG1 ILE 20 8.600 -1.821 5.846 119 HG13 ILE 20 2HG1 ILE 20 9.076 -0.425 4.878 120 HG21 ILE 20 1HG2 ILE 20 6.556 -1.644 7.376 121 HG22 ILE 20 2HG2 ILE 20 7.069 -0.122 8.126 122 HG23 ILE 20 3HG2 ILE 20 5.518 -0.207 7.300 123 HD11 ILE 20 3HD1 ILE 20 9.668 0.806 6.970 124 HD12 ILE 20 1HD1 ILE 20 9.297 -0.666 7.907 125 HD13 ILE 20 2HD1 ILE 20 10.616 -0.676 6.730 126 H THR 21 H THR 21 7.497 -2.007 3.006 127 HA THR 21 HA THR 21 7.344 -4.077 2.195 128 HB THR 21 HB THR 21 6.954 -6.008 3.400 129 HG1 THR 21 1HG THR 21 5.527 -4.368 5.172 130 HG21 THR 21 3HG2 THR 21 8.941 -4.732 4.225 131 HG22 THR 21 1HG2 THR 21 8.235 -5.835 5.418 132 HG23 THR 21 2HG2 THR 21 7.937 -4.093 5.546 133 H LYS 22 H LYS 22 6.083 -5.266 0.842 134 HA LYS 22 HA LYS 22 3.354 -4.553 0.319 135 HB2 LYS 22 1HB LYS 22 3.363 -6.456 -1.222 136 HB3 LYS 22 2HB LYS 22 4.793 -5.447 -1.407 137 HG2 LYS 22 1HG LYS 22 6.119 -7.100 -0.069 138 HG3 LYS 22 2HG LYS 22 4.680 -8.130 0.045 139 HD2 LYS 22 1HD LYS 22 4.633 -8.351 -2.419 140 HD3 LYS 22 2HD LYS 22 6.047 -7.276 -2.546 141 HE2 LYS 22 1HE LYS 22 7.370 -8.861 -1.159 142 HE3 LYS 22 2HE LYS 22 5.978 -9.941 -1.052 143 HZ1 LYS 22 3HZ LYS 22 6.096 -10.247 -3.456 144 HZ2 LYS 22 1HZ LYS 22 7.546 -10.603 -2.790 145 HZ3 LYS 22 2HZ LYS 22 7.344 -9.196 -3.585 146 H ASN 23 H ASN 23 4.739 -6.855 2.527 147 HA ASN 23 HA ASN 23 2.442 -8.499 2.971 148 HB2 ASN 23 1HB ASN 23 4.862 -9.040 3.487 149 HB3 ASN 23 2HB ASN 23 4.781 -7.902 4.834 150 HD21 ASN 23 1HD2 ASN 23 5.025 -9.397 6.530 151 HD22 ASN 23 2HD2 ASN 23 3.882 -10.704 6.804 152 H CYS 24 H CYS 24 3.319 -5.317 4.271 153 HA CYS 24 HA CYS 24 1.006 -5.369 6.141 154 HB2 CYS 24 1HB CYS 24 3.031 -3.190 5.527 155 HB3 CYS 24 2HB CYS 24 1.754 -3.105 6.743 156 HG CYS 24 HG CYS 24 4.251 -5.282 6.518 157 H LEU 25 H LEU 25 1.989 -3.732 3.084 158 HA LEU 25 HA LEU 25 -0.179 -2.075 2.730 159 HB2 LEU 25 1HB LEU 25 1.835 -2.119 1.297 160 HB3 LEU 25 2HB LEU 25 1.332 -3.678 0.638 161 HG LEU 25 HG LEU 25 -0.672 -2.623 -0.386 162 HD11 LEU 25 1HD1 LEU 25 0.552 -0.017 0.631 163 HD12 LEU 25 2HD1 LEU 25 -1.026 -0.703 1.097 164 HD13 LEU 25 3HD1 LEU 25 -0.767 -0.143 -0.556 165 HD21 LEU 25 3HD2 LEU 25 1.901 -1.212 -1.110 166 HD22 LEU 25 1HD2 LEU 25 0.490 -1.485 -2.155 167 HD23 LEU 25 2HD2 LEU 25 1.466 -2.860 -1.620 168 H LYS 26 H LYS 26 -0.100 -5.581 2.002 169 HA LYS 26 HA LYS 26 -2.482 -5.834 0.566 170 HB2 LYS 26 1HB LYS 26 -2.442 -8.137 1.090 171 HB3 LYS 26 2HB LYS 26 -0.759 -7.614 1.062 172 HG2 LYS 26 1HG LYS 26 -0.935 -7.398 3.626 173 HG3 LYS 26 2HG LYS 26 -2.500 -8.213 3.492 174 HD2 LYS 26 1HD LYS 26 -1.345 -10.142 2.352 175 HD3 LYS 26 2HD LYS 26 0.207 -9.331 2.663 176 HE2 LYS 26 1HE LYS 26 -0.409 -9.290 5.128 177 HE3 LYS 26 2HE LYS 26 -1.836 -10.260 4.735 178 HZ1 LYS 26 3HZ LYS 26 -0.251 -11.957 3.830 179 HZ2 LYS 26 1HZ LYS 26 -0.069 -11.708 5.436 180 HZ3 LYS 26 2HZ LYS 26 1.004 -11.056 4.402 181 H ARG 27 H ARG 27 -2.233 -5.285 4.048 182 HA ARG 27 HA ARG 27 -4.994 -5.980 4.676 183 HB2 ARG 27 1HB ARG 27 -3.021 -4.192 6.176 184 HB3 ARG 27 2HB ARG 27 -4.534 -4.810 6.815 185 HG2 ARG 27 1HG ARG 27 -2.061 -6.426 6.074 186 HG3 ARG 27 2HG ARG 27 -2.690 -6.117 7.686 187 HD2 ARG 27 1HD ARG 27 -3.987 -7.826 5.527 188 HD3 ARG 27 2HD ARG 27 -3.190 -8.396 7.000 189 HE ARG 27 HE ARG 27 -5.214 -6.675 7.877 190 HH11 ARG 27 2HH1 ARG 27 -5.120 -9.744 6.187 191 HH12 ARG 27 1HH1 ARG 27 -6.708 -10.194 6.740 192 HH21 ARG 27 2HH2 ARG 27 -7.236 -7.313 8.534 193 HH22 ARG 27 1HH2 ARG 27 -7.864 -8.855 8.036 194 H HIS 28 H HIS 28 -3.441 -2.939 3.684 195 HA HIS 28 HA HIS 28 -5.808 -1.286 3.977 196 HB2 HIS 28 1HB HIS 28 -3.698 -0.198 3.789 197 HB3 HIS 28 2HB HIS 28 -3.268 -1.073 2.325 198 HD1 HIS 28 1HD HIS 28 -5.380 1.908 3.425 199 HD2 HIS 28 2HD HIS 28 -4.232 -0.225 -0.010 200 HE1 HIS 28 1HE HIS 28 -6.111 3.329 1.453 201 H VAL 29 H VAL 29 -4.493 -3.238 1.257 202 HA VAL 29 HA VAL 29 -6.570 -2.536 -0.598 203 HB VAL 29 HB VAL 29 -4.865 -5.051 -0.569 204 HG11 VAL 29 1HG1 VAL 29 -6.783 -5.201 -2.141 205 HG12 VAL 29 2HG1 VAL 29 -6.313 -3.641 -2.854 206 HG13 VAL 29 3HG1 VAL 29 -5.251 -5.056 -3.006 207 HG21 VAL 29 3HG2 VAL 29 -4.368 -2.346 -1.900 208 HG22 VAL 29 1HG2 VAL 29 -3.421 -3.043 -0.569 209 HG23 VAL 29 2HG2 VAL 29 -3.401 -3.814 -2.152 210 H ILE 30 H ILE 30 -6.301 -5.289 1.678 211 HA ILE 30 HA ILE 30 -8.825 -6.497 1.090 212 HB ILE 30 HB ILE 30 -7.065 -6.447 3.563 213 HG12 ILE 30 1HG1 ILE 30 -7.644 -8.740 1.639 214 HG13 ILE 30 2HG1 ILE 30 -6.346 -7.601 1.346 215 HG21 ILE 30 1HG2 ILE 30 -8.386 -8.385 4.423 216 HG22 ILE 30 2HG2 ILE 30 -9.328 -6.909 4.387 217 HG23 ILE 30 3HG2 ILE 30 -9.566 -8.137 3.123 218 HD11 ILE 30 3HD1 ILE 30 -5.405 -9.543 2.384 219 HD12 ILE 30 1HD1 ILE 30 -5.325 -8.213 3.554 220 HD13 ILE 30 2HD1 ILE 30 -6.559 -9.487 3.721 221 H GLN 31 H GLN 31 -8.009 -3.904 3.454 222 HA GLN 31 HA GLN 31 -10.670 -3.777 4.522 223 HB2 GLN 31 1HB GLN 31 -8.590 -3.205 5.729 224 HB3 GLN 31 2HB GLN 31 -8.378 -1.780 4.701 225 HG2 GLN 31 1HG GLN 31 -10.508 -0.840 5.578 226 HG3 GLN 31 2HG GLN 31 -10.751 -2.293 6.556 227 HE21 GLN 31 1HE2 GLN 31 -9.182 -2.692 8.365 228 HE22 GLN 31 2HE2 GLN 31 -8.318 -1.309 9.025 229 H LYS 32 H LYS 32 -9.009 -1.748 2.078 230 HA LYS 32 HA LYS 32 -11.446 -0.031 1.825 231 HB2 LYS 32 1HB LYS 32 -8.573 0.452 0.941 232 HB3 LYS 32 2HB LYS 32 -9.892 1.610 0.845 233 HG2 LYS 32 1HG LYS 32 -8.663 0.505 3.407 234 HG3 LYS 32 2HG LYS 32 -8.429 2.108 2.717 235 HD2 LYS 32 1HD LYS 32 -10.902 2.555 3.013 236 HD3 LYS 32 2HD LYS 32 -11.047 0.978 3.795 237 HE2 LYS 32 1HE LYS 32 -10.908 2.498 5.571 238 HE3 LYS 32 2HE LYS 32 -9.326 1.724 5.493 239 HZ1 LYS 32 3HZ LYS 32 -9.980 4.412 4.393 240 HZ2 LYS 32 1HZ LYS 32 -8.499 3.717 4.334 241 HZ3 LYS 32 2HZ LYS 32 -9.151 4.134 5.767 242 H HIS 33 H HIS 33 -9.726 -2.369 -0.076 243 HA HIS 33 HA HIS 33 -11.226 -1.532 -2.521 244 HB2 HIS 33 1HB HIS 33 -8.326 -2.401 -2.456 245 HB3 HIS 33 2HB HIS 33 -9.235 -1.813 -3.845 246 HD1 HIS 33 1HD HIS 33 -10.312 0.927 -3.014 247 HD2 HIS 33 2HD HIS 33 -6.637 -0.629 -1.706 248 HE1 HIS 33 1HE HIS 33 -8.917 2.936 -2.336 249 H SER 34 H SER 34 -11.939 -3.656 -0.676 250 HA SER 34 HA SER 34 -11.135 -6.231 -1.468 251 HB2 SER 34 1HB SER 34 -12.421 -5.794 0.559 252 HB3 SER 34 2HB SER 34 -13.839 -5.338 -0.404 253 HG SER 34 HG SER 34 -13.744 -7.577 0.393 254 H ASN 35 H ASN 35 -11.761 -7.713 -2.938 255 HA ASN 35 HA ASN 35 -13.144 -6.859 -5.361 256 HB2 ASN 35 1HB ASN 35 -11.081 -8.271 -5.312 257 HB3 ASN 35 2HB ASN 35 -11.993 -9.558 -4.517 258 HD21 ASN 35 1HD2 ASN 35 -11.988 -7.536 -7.514 259 HD22 ASN 35 2HD2 ASN 35 -12.628 -8.824 -8.522 260 H ILE 36 H ILE 36 -14.286 -8.099 -2.406 261 HA ILE 36 HA ILE 36 -16.347 -9.872 -3.354 262 HB ILE 36 HB ILE 36 -15.961 -8.431 -0.702 263 HG12 ILE 36 1HG1 ILE 36 -15.336 -11.307 -1.543 264 HG13 ILE 36 2HG1 ILE 36 -14.140 -10.028 -1.366 265 HG21 ILE 36 1HG2 ILE 36 -18.326 -9.079 -0.890 266 HG22 ILE 36 2HG2 ILE 36 -17.857 -10.734 -1.345 267 HG23 ILE 36 3HG2 ILE 36 -17.523 -10.096 0.280 268 HD11 ILE 36 3HD1 ILE 36 -15.741 -11.306 0.868 269 HD12 ILE 36 1HD1 ILE 36 -13.999 -11.364 0.582 270 HD13 ILE 36 2HD1 ILE 36 -14.756 -9.835 1.068 271 H LEU 37 H LEU 37 -16.199 -6.454 -3.068 272 HA LEU 37 HA LEU 37 -19.147 -6.105 -3.423 273 HB2 LEU 37 1HB LEU 37 -17.057 -4.123 -2.453 274 HB3 LEU 37 2HB LEU 37 -18.781 -3.810 -2.604 275 HG LEU 37 HG LEU 37 -17.491 -5.795 -0.674 276 HD11 LEU 37 1HD1 LEU 37 -18.232 -4.208 1.043 277 HD12 LEU 37 2HD1 LEU 37 -18.882 -3.126 -0.208 278 HD13 LEU 37 3HD1 LEU 37 -17.133 -3.423 -0.101 279 HD21 LEU 37 3HD2 LEU 37 -20.414 -4.991 -1.022 280 HD22 LEU 37 1HD2 LEU 37 -19.762 -5.948 0.328 281 HD23 LEU 37 2HD2 LEU 37 -19.718 -6.602 -1.311 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 30.789 0.764 4.861 2 H2 GLY 1 2H GLY 1 30.881 2.279 5.481 3 H3 GLY 1 3H GLY 1 31.216 2.023 3.901 4 HA2 GLY 1 1HA GLY 1 28.942 1.376 3.453 5 HA3 GLY 1 2HA GLY 1 28.578 1.651 5.166 6 H SER 2 H SER 2 27.026 2.954 3.484 7 HA SER 2 HA SER 2 27.897 5.815 3.547 8 HB2 SER 2 1HB SER 2 26.496 4.421 1.233 9 HB3 SER 2 2HB SER 2 26.827 6.158 1.356 10 HG SER 2 HG SER 2 28.415 5.050 0.111 11 H SER 3 H SER 3 26.192 7.355 3.624 12 HA SER 3 HA SER 3 24.008 6.690 5.323 13 HB2 SER 3 1HB SER 3 24.403 9.170 3.608 14 HB3 SER 3 2HB SER 3 23.307 9.013 4.994 15 HG SER 3 HG SER 3 25.313 9.987 5.574 16 H GLY 4 H GLY 4 21.757 6.746 5.003 17 HA2 GLY 4 1HA GLY 4 20.409 7.095 2.511 18 HA3 GLY 4 2HA GLY 4 20.698 5.374 2.775 19 H SER 5 H SER 5 18.184 5.845 2.591 20 HA SER 5 HA SER 5 16.751 6.843 4.839 21 HB2 SER 5 1HB SER 5 15.836 4.861 2.720 22 HB3 SER 5 2HB SER 5 14.791 5.809 3.796 23 HG SER 5 HG SER 5 15.037 6.796 1.729 24 H SER 6 H SER 6 15.659 5.866 6.524 25 HA SER 6 HA SER 6 16.846 3.522 7.689 26 HB2 SER 6 1HB SER 6 14.370 5.053 8.560 27 HB3 SER 6 2HB SER 6 15.341 3.950 9.555 28 HG SER 6 HG SER 6 15.901 6.151 9.905 29 H GLY 7 H GLY 7 14.324 3.700 5.426 30 HA2 GLY 7 1HA GLY 7 13.747 0.899 5.464 31 HA3 GLY 7 2HA GLY 7 12.413 1.796 6.201 32 H HIS 8 H HIS 8 11.484 0.601 4.188 33 HA HIS 8 HA HIS 8 11.426 2.476 1.864 34 HB2 HIS 8 1HB HIS 8 11.546 -0.559 1.713 35 HB3 HIS 8 2HB HIS 8 11.341 0.539 0.350 36 HD1 HIS 8 1HD HIS 8 13.573 2.242 -0.085 37 HD2 HIS 8 2HD HIS 8 14.019 -1.114 2.418 38 HE1 HIS 8 1HE HIS 8 16.081 1.851 0.144 39 H LEU 9 H LEU 9 9.511 2.637 0.748 40 HA LEU 9 HA LEU 9 7.070 1.560 2.095 41 HB2 LEU 9 1HB LEU 9 7.557 4.187 0.649 42 HB3 LEU 9 2HB LEU 9 5.963 3.617 1.114 43 HG LEU 9 HG LEU 9 8.209 4.145 3.106 44 HD11 LEU 9 1HD1 LEU 9 6.958 6.186 3.669 45 HD12 LEU 9 2HD1 LEU 9 5.794 5.848 2.367 46 HD13 LEU 9 3HD1 LEU 9 7.489 6.216 1.981 47 HD21 LEU 9 3HD2 LEU 9 6.530 2.553 3.958 48 HD22 LEU 9 1HD2 LEU 9 5.218 3.659 3.489 49 HD23 LEU 9 2HD2 LEU 9 6.367 4.110 4.770 50 H TYR 10 H TYR 10 5.434 0.776 0.957 51 HA TYR 10 HA TYR 10 5.759 0.277 -1.975 52 HB2 TYR 10 1HB TYR 10 4.570 -1.499 0.194 53 HB3 TYR 10 2HB TYR 10 4.501 -1.825 -1.532 54 HD1 TYR 10 2HD TYR 10 6.896 -1.347 1.313 55 HD2 TYR 10 1HD TYR 10 6.294 -2.916 -2.659 56 HE1 TYR 10 2HE TYR 10 9.132 -2.458 1.408 57 HE2 TYR 10 1HE TYR 10 8.504 -4.051 -2.547 58 HH TYR 10 HH TYR 10 10.386 -4.442 -1.295 59 H TYR 11 H TYR 11 4.052 0.823 -3.245 60 HA TYR 11 HA TYR 11 1.941 2.450 -1.937 61 HB2 TYR 11 1HB TYR 11 3.186 2.547 -4.696 62 HB3 TYR 11 2HB TYR 11 1.795 3.503 -4.217 63 HD1 TYR 11 1HD TYR 11 5.408 2.878 -3.371 64 HD2 TYR 11 2HD TYR 11 2.032 5.558 -3.070 65 HE1 TYR 11 1HE TYR 11 6.880 4.622 -2.396 66 HE2 TYR 11 2HE TYR 11 3.521 7.312 -2.114 67 HH TYR 11 HH TYR 11 7.025 6.761 -1.584 68 H CYS 12 H CYS 12 -0.166 2.398 -2.452 69 HA CYS 12 HA CYS 12 -1.432 -0.048 -3.079 70 HB2 CYS 12 1HB CYS 12 -2.297 1.736 -1.647 71 HB3 CYS 12 2HB CYS 12 -2.436 2.819 -3.041 72 H SER 13 H SER 13 -2.823 -0.608 -4.778 73 HA SER 13 HA SER 13 -1.875 0.074 -7.486 74 HB2 SER 13 1HB SER 13 -3.339 -1.782 -8.177 75 HB3 SER 13 2HB SER 13 -2.197 -2.264 -6.914 76 HG SER 13 HG SER 13 -4.259 -3.048 -6.431 77 H GLN 14 H GLN 14 -4.412 1.082 -5.388 78 HA GLN 14 HA GLN 14 -6.052 2.130 -7.681 79 HB2 GLN 14 1HB GLN 14 -6.864 0.680 -5.142 80 HB3 GLN 14 2HB GLN 14 -8.010 1.648 -6.078 81 HG2 GLN 14 1HG GLN 14 -7.671 0.300 -8.063 82 HG3 GLN 14 2HG GLN 14 -6.383 -0.624 -7.292 83 HE21 GLN 14 1HE2 GLN 14 -6.921 -2.265 -5.746 84 HE22 GLN 14 2HE2 GLN 14 -8.598 -2.825 -5.625 85 H CYS 15 H CYS 15 -4.368 3.142 -4.873 86 HA CYS 15 HA CYS 15 -5.404 5.843 -5.269 87 HB2 CYS 15 1HB CYS 15 -6.084 6.259 -3.008 88 HB3 CYS 15 2HB CYS 15 -6.984 4.883 -3.622 89 H HIS 16 H HIS 16 -4.262 7.186 -3.240 90 HA HIS 16 HA HIS 16 -1.422 7.066 -3.974 91 HB2 HIS 16 1HB HIS 16 -1.293 9.283 -3.039 92 HB3 HIS 16 2HB HIS 16 -2.678 9.169 -4.111 93 HD1 HIS 16 1HD HIS 16 -1.896 9.340 -0.325 94 HD2 HIS 16 2HD HIS 16 -5.066 9.718 -3.068 95 HE1 HIS 16 1HE HIS 16 -3.889 10.226 1.003 96 H TYR 17 H TYR 17 -3.041 5.460 -1.590 97 HA TYR 17 HA TYR 17 -1.527 5.982 0.775 98 HB2 TYR 17 1HB TYR 17 -3.687 4.848 0.768 99 HB3 TYR 17 2HB TYR 17 -3.020 3.518 -0.172 100 HD1 TYR 17 1HD TYR 17 -3.128 5.099 3.175 101 HD2 TYR 17 2HD TYR 17 -1.647 1.784 0.841 102 HE1 TYR 17 1HE TYR 17 -2.547 3.881 5.268 103 HE2 TYR 17 2HE TYR 17 -1.061 0.575 2.938 104 HH TYR 17 HH TYR 17 -1.681 1.968 6.180 105 H SER 18 H SER 18 0.141 4.835 1.789 106 HA SER 18 HA SER 18 1.441 2.625 0.435 107 HB2 SER 18 1HB SER 18 3.713 3.517 0.529 108 HB3 SER 18 2HB SER 18 2.690 4.483 -0.537 109 HG SER 18 HG SER 18 2.504 6.040 1.092 110 H SER 19 H SER 19 2.865 1.402 1.746 111 HA SER 19 HA SER 19 3.046 2.042 4.630 112 HB2 SER 19 1HB SER 19 0.917 0.721 4.231 113 HB3 SER 19 2HB SER 19 1.941 -0.642 3.734 114 HG SER 19 HG SER 19 1.313 -0.540 6.030 115 H ILE 20 H ILE 20 4.445 0.398 5.782 116 HA ILE 20 HA ILE 20 6.845 -0.159 4.183 117 HB ILE 20 HB ILE 20 7.946 -0.846 6.148 118 HG12 ILE 20 1HG1 ILE 20 6.336 -2.030 7.463 119 HG13 ILE 20 2HG1 ILE 20 7.081 -0.760 8.402 120 HG21 ILE 20 1HG2 ILE 20 7.913 1.518 5.647 121 HG22 ILE 20 2HG2 ILE 20 6.449 1.755 6.624 122 HG23 ILE 20 3HG2 ILE 20 7.968 1.262 7.395 123 HD11 ILE 20 3HD1 ILE 20 4.763 -0.869 8.989 124 HD12 ILE 20 1HD1 ILE 20 4.997 0.641 8.092 125 HD13 ILE 20 2HD1 ILE 20 4.247 -0.773 7.305 126 H THR 21 H THR 21 7.566 -2.072 3.537 127 HA THR 21 HA THR 21 7.498 -4.104 2.610 128 HB THR 21 HB THR 21 6.813 -6.052 3.673 129 HG1 THR 21 1HG THR 21 5.175 -4.372 5.210 130 HG21 THR 21 3HG2 THR 21 8.704 -4.908 4.814 131 HG22 THR 21 1HG2 THR 21 7.749 -5.940 5.893 132 HG23 THR 21 2HG2 THR 21 7.549 -4.179 5.956 133 H LYS 22 H LYS 22 6.461 -5.327 1.077 134 HA LYS 22 HA LYS 22 3.881 -4.453 0.077 135 HB2 LYS 22 1HB LYS 22 5.791 -5.393 -1.271 136 HB3 LYS 22 2HB LYS 22 5.441 -6.987 -0.589 137 HG2 LYS 22 1HG LYS 22 3.187 -6.940 -1.609 138 HG3 LYS 22 2HG LYS 22 3.474 -5.288 -2.197 139 HD2 LYS 22 1HD LYS 22 5.354 -6.114 -3.593 140 HD3 LYS 22 2HD LYS 22 5.070 -7.765 -2.999 141 HE2 LYS 22 1HE LYS 22 2.770 -7.701 -3.941 142 HE3 LYS 22 2HE LYS 22 3.052 -6.058 -4.529 143 HZ1 LYS 22 3HZ LYS 22 4.571 -8.463 -5.401 144 HZ2 LYS 22 1HZ LYS 22 4.832 -6.944 -5.946 145 HZ3 LYS 22 2HZ LYS 22 3.426 -7.701 -6.280 146 H ASN 23 H ASN 23 4.871 -6.895 2.375 147 HA ASN 23 HA ASN 23 2.523 -8.525 2.369 148 HB2 ASN 23 1HB ASN 23 4.572 -7.976 4.571 149 HB3 ASN 23 2HB ASN 23 3.398 -9.287 4.577 150 HD21 ASN 23 1HD2 ASN 23 3.660 -11.056 3.026 151 HD22 ASN 23 2HD2 ASN 23 5.221 -11.292 2.258 152 H CYS 24 H CYS 24 3.377 -5.665 4.431 153 HA CYS 24 HA CYS 24 0.850 -5.755 5.838 154 HB2 CYS 24 1HB CYS 24 3.052 -4.711 6.625 155 HB3 CYS 24 2HB CYS 24 2.662 -3.338 5.566 156 HG CYS 24 HG CYS 24 0.235 -2.943 6.596 157 H LEU 25 H LEU 25 1.928 -4.026 2.899 158 HA LEU 25 HA LEU 25 -0.196 -2.295 2.532 159 HB2 LEU 25 1HB LEU 25 1.869 -2.312 1.208 160 HB3 LEU 25 2HB LEU 25 1.422 -3.861 0.498 161 HG LEU 25 HG LEU 25 -0.535 -2.792 -0.619 162 HD11 LEU 25 1HD1 LEU 25 0.672 -0.204 0.463 163 HD12 LEU 25 2HD1 LEU 25 -0.928 -0.871 0.868 164 HD13 LEU 25 3HD1 LEU 25 -0.599 -0.314 -0.774 165 HD21 LEU 25 3HD2 LEU 25 1.660 -3.076 -1.732 166 HD22 LEU 25 1HD2 LEU 25 2.111 -1.440 -1.203 167 HD23 LEU 25 2HD2 LEU 25 0.748 -1.682 -2.320 168 H LYS 26 H LYS 26 -0.199 -5.809 1.937 169 HA LYS 26 HA LYS 26 -2.602 -6.051 0.432 170 HB2 LYS 26 1HB LYS 26 -1.591 -7.905 2.641 171 HB3 LYS 26 2HB LYS 26 -2.778 -8.322 1.418 172 HG2 LYS 26 1HG LYS 26 0.172 -7.740 0.985 173 HG3 LYS 26 2HG LYS 26 -0.629 -9.293 0.867 174 HD2 LYS 26 1HD LYS 26 -1.026 -6.932 -1.024 175 HD3 LYS 26 2HD LYS 26 -0.095 -8.397 -1.339 176 HE2 LYS 26 1HE LYS 26 -2.178 -9.764 -1.051 177 HE3 LYS 26 2HE LYS 26 -3.106 -8.274 -0.839 178 HZ1 LYS 26 3HZ LYS 26 -1.579 -9.007 -3.284 179 HZ2 LYS 26 1HZ LYS 26 -2.420 -7.618 -3.096 180 HZ3 LYS 26 2HZ LYS 26 -3.200 -9.051 -3.135 181 H ARG 27 H ARG 27 -2.223 -5.481 3.911 182 HA ARG 27 HA ARG 27 -4.946 -6.056 4.684 183 HB2 ARG 27 1HB ARG 27 -2.916 -4.174 5.973 184 HB3 ARG 27 2HB ARG 27 -4.382 -4.786 6.734 185 HG2 ARG 27 1HG ARG 27 -3.530 -7.072 6.727 186 HG3 ARG 27 2HG ARG 27 -2.129 -6.604 5.756 187 HD2 ARG 27 1HD ARG 27 -1.390 -6.823 8.015 188 HD3 ARG 27 2HD ARG 27 -1.345 -5.115 7.554 189 HE ARG 27 HE ARG 27 -3.783 -6.033 8.957 190 HH11 ARG 27 2HH1 ARG 27 -0.658 -4.498 9.392 191 HH12 ARG 27 1HH1 ARG 27 -1.092 -3.860 10.953 192 HH21 ARG 27 2HH2 ARG 27 -4.262 -5.183 10.955 193 HH22 ARG 27 1HH2 ARG 27 -3.078 -4.234 11.803 194 H HIS 28 H HIS 28 -3.393 -3.054 3.549 195 HA HIS 28 HA HIS 28 -5.708 -1.354 3.838 196 HB2 HIS 28 1HB HIS 28 -3.581 -0.330 3.549 197 HB3 HIS 28 2HB HIS 28 -3.230 -1.247 2.087 198 HD1 HIS 28 1HD HIS 28 -5.255 1.799 3.201 199 HD2 HIS 28 2HD HIS 28 -4.252 -0.417 -0.223 200 HE1 HIS 28 1HE HIS 28 -6.079 3.167 1.231 201 H VAL 29 H VAL 29 -4.543 -3.364 1.065 202 HA VAL 29 HA VAL 29 -6.717 -2.606 -0.662 203 HB VAL 29 HB VAL 29 -4.996 -5.104 -0.773 204 HG11 VAL 29 1HG1 VAL 29 -5.553 -5.072 -3.203 205 HG12 VAL 29 2HG1 VAL 29 -6.980 -5.349 -2.208 206 HG13 VAL 29 3HG1 VAL 29 -6.695 -3.742 -2.913 207 HG21 VAL 29 3HG2 VAL 29 -4.665 -2.388 -2.130 208 HG22 VAL 29 1HG2 VAL 29 -3.609 -3.057 -0.867 209 HG23 VAL 29 2HG2 VAL 29 -3.677 -3.827 -2.450 210 H ILE 30 H ILE 30 -6.384 -5.288 1.656 211 HA ILE 30 HA ILE 30 -8.894 -6.563 1.117 212 HB ILE 30 HB ILE 30 -7.081 -6.461 3.549 213 HG12 ILE 30 1HG1 ILE 30 -7.662 -8.787 1.671 214 HG13 ILE 30 2HG1 ILE 30 -6.394 -7.630 1.327 215 HG21 ILE 30 1HG2 ILE 30 -9.563 -8.196 3.177 216 HG22 ILE 30 2HG2 ILE 30 -8.351 -8.412 4.455 217 HG23 ILE 30 3HG2 ILE 30 -9.321 -6.953 4.426 218 HD11 ILE 30 3HD1 ILE 30 -6.513 -9.478 3.742 219 HD12 ILE 30 1HD1 ILE 30 -5.395 -9.544 2.372 220 HD13 ILE 30 2HD1 ILE 30 -5.303 -8.192 3.517 221 H GLN 31 H GLN 31 -8.070 -3.939 3.437 222 HA GLN 31 HA GLN 31 -10.817 -3.927 4.469 223 HB2 GLN 31 1HB GLN 31 -8.318 -2.361 5.190 224 HB3 GLN 31 2HB GLN 31 -9.868 -2.201 6.023 225 HG2 GLN 31 1HG GLN 31 -9.833 -4.573 6.661 226 HG3 GLN 31 2HG GLN 31 -8.308 -4.815 5.812 227 HE21 GLN 31 1HE2 GLN 31 -8.070 -5.612 8.290 228 HE22 GLN 31 2HE2 GLN 31 -7.327 -4.397 9.323 229 H LYS 32 H LYS 32 -8.921 -1.747 2.391 230 HA LYS 32 HA LYS 32 -11.039 0.347 2.611 231 HB2 LYS 32 1HB LYS 32 -8.193 0.614 1.591 232 HB3 LYS 32 2HB LYS 32 -9.321 1.915 1.943 233 HG2 LYS 32 1HG LYS 32 -8.041 0.042 3.981 234 HG3 LYS 32 2HG LYS 32 -7.651 1.735 3.695 235 HD2 LYS 32 1HD LYS 32 -9.931 2.400 4.429 236 HD3 LYS 32 2HD LYS 32 -10.312 0.698 4.770 237 HE2 LYS 32 1HE LYS 32 -8.436 0.589 6.385 238 HE3 LYS 32 2HE LYS 32 -8.046 2.282 6.054 239 HZ1 LYS 32 3HZ LYS 32 -10.244 2.890 6.914 240 HZ2 LYS 32 1HZ LYS 32 -9.414 2.062 8.048 241 HZ3 LYS 32 2HZ LYS 32 -10.611 1.326 7.219 242 H HIS 33 H HIS 33 -10.108 -1.973 0.313 243 HA HIS 33 HA HIS 33 -11.611 -0.466 -1.782 244 HB2 HIS 33 1HB HIS 33 -9.161 -2.205 -2.221 245 HB3 HIS 33 2HB HIS 33 -10.176 -1.528 -3.494 246 HD1 HIS 33 1HD HIS 33 -10.384 1.396 -3.137 247 HD2 HIS 33 2HD HIS 33 -7.046 -0.763 -1.778 248 HE1 HIS 33 1HE HIS 33 -8.536 3.104 -2.849 249 H SER 34 H SER 34 -13.011 -1.568 -3.055 250 HA SER 34 HA SER 34 -13.783 -4.331 -2.230 251 HB2 SER 34 1HB SER 34 -16.049 -3.671 -2.964 252 HB3 SER 34 2HB SER 34 -15.421 -2.650 -1.661 253 HG SER 34 HG SER 34 -16.390 -1.416 -3.351 254 H ASN 35 H ASN 35 -11.995 -3.096 -4.568 255 HA ASN 35 HA ASN 35 -12.904 -4.940 -6.705 256 HB2 ASN 35 1HB ASN 35 -13.893 -2.687 -7.119 257 HB3 ASN 35 2HB ASN 35 -12.286 -1.962 -7.029 258 HD21 ASN 35 2HD2 ASN 35 -14.092 -4.519 -8.850 259 HD22 ASN 35 1HD2 ASN 35 -13.267 -4.175 -10.362 260 H ILE 36 H ILE 36 -11.200 -5.215 -8.386 261 HA ILE 36 HA ILE 36 -8.424 -4.699 -7.517 262 HB ILE 36 HB ILE 36 -7.662 -6.889 -8.005 263 HG12 ILE 36 1HG1 ILE 36 -9.143 -7.715 -9.709 264 HG13 ILE 36 2HG1 ILE 36 -9.003 -8.849 -8.386 265 HG21 ILE 36 1HG2 ILE 36 -9.926 -7.069 -5.987 266 HG22 ILE 36 2HG2 ILE 36 -8.501 -8.120 -6.089 267 HG23 ILE 36 3HG2 ILE 36 -8.308 -6.401 -5.704 268 HD11 ILE 36 3HD1 ILE 36 -11.272 -8.854 -9.163 269 HD12 ILE 36 1HD1 ILE 36 -11.270 -8.116 -7.553 270 HD13 ILE 36 2HD1 ILE 36 -11.415 -7.102 -9.013 271 H LEU 37 H LEU 37 -6.880 -4.713 -9.172 272 HA LEU 37 HA LEU 37 -7.917 -4.349 -11.955 273 HB2 LEU 37 1HB LEU 37 -5.741 -2.779 -10.518 274 HB3 LEU 37 2HB LEU 37 -6.178 -2.601 -12.209 275 HG LEU 37 HG LEU 37 -7.981 -1.934 -9.839 276 HD11 LEU 37 1HD1 LEU 37 -7.618 0.389 -10.569 277 HD12 LEU 37 2HD1 LEU 37 -6.522 -0.168 -11.851 278 HD13 LEU 37 3HD1 LEU 37 -6.084 -0.388 -10.141 279 HD21 LEU 37 3HD2 LEU 37 -8.411 -1.543 -12.838 280 HD22 LEU 37 1HD2 LEU 37 -9.438 -0.871 -11.549 281 HD23 LEU 37 2HD2 LEU 37 -9.343 -2.618 -11.771 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 25.474 8.358 8.641 2 H2 GLY 1 2H GLY 1 26.259 8.688 10.040 3 H3 GLY 1 3H GLY 1 24.691 8.212 10.072 4 HA2 GLY 1 1HA GLY 1 26.974 6.556 9.204 5 HA3 GLY 1 2HA GLY 1 26.111 6.393 10.744 6 H SER 2 H SER 2 25.663 4.189 10.163 7 HA SER 2 HA SER 2 23.166 3.871 8.619 8 HB2 SER 2 1HB SER 2 24.904 3.452 6.939 9 HB3 SER 2 2HB SER 2 25.687 2.274 8.010 10 HG SER 2 HG SER 2 24.242 1.376 6.378 11 H SER 3 H SER 3 21.932 2.133 9.249 12 HA SER 3 HA SER 3 22.555 0.814 11.810 13 HB2 SER 3 1HB SER 3 20.117 0.580 10.009 14 HB3 SER 3 2HB SER 3 20.273 -0.052 11.659 15 HG SER 3 HG SER 3 19.201 1.982 11.607 16 H GLY 4 H GLY 4 23.344 0.093 8.615 17 HA2 GLY 4 1HA GLY 4 24.266 -1.790 7.661 18 HA3 GLY 4 2HA GLY 4 24.114 -2.641 9.198 19 H SER 5 H SER 5 21.155 -1.328 8.038 20 HA SER 5 HA SER 5 20.294 -3.651 6.463 21 HB2 SER 5 1HB SER 5 19.991 -4.296 8.893 22 HB3 SER 5 2HB SER 5 18.845 -2.950 9.049 23 HG SER 5 HG SER 5 17.838 -4.986 8.555 24 H SER 6 H SER 6 18.062 -3.307 5.614 25 HA SER 6 HA SER 6 17.207 -0.471 5.391 26 HB2 SER 6 1HB SER 6 17.319 -0.550 2.937 27 HB3 SER 6 2HB SER 6 18.915 -0.718 3.679 28 HG SER 6 HG SER 6 18.581 -2.232 1.980 29 H GLY 7 H GLY 7 15.253 -0.164 4.135 30 HA2 GLY 7 1HA GLY 7 13.478 -2.354 3.474 31 HA3 GLY 7 2HA GLY 7 12.983 -1.503 4.944 32 H HIS 8 H HIS 8 11.359 -1.524 2.671 33 HA HIS 8 HA HIS 8 11.561 1.250 1.574 34 HB2 HIS 8 1HB HIS 8 11.080 -1.289 -0.027 35 HB3 HIS 8 2HB HIS 8 11.050 0.353 -0.660 36 HD1 HIS 8 1HD HIS 8 13.553 1.681 -0.520 37 HD2 HIS 8 2HD HIS 8 13.417 -2.493 0.007 38 HE1 HIS 8 1HE HIS 8 15.939 0.844 -0.835 39 H LEU 9 H LEU 9 9.716 2.198 0.808 40 HA LEU 9 HA LEU 9 7.114 1.305 1.861 41 HB2 LEU 9 1HB LEU 9 8.062 3.713 0.258 42 HB3 LEU 9 2HB LEU 9 6.363 3.422 0.585 43 HG LEU 9 HG LEU 9 8.419 3.713 2.812 44 HD11 LEU 9 1HD1 LEU 9 7.578 6.020 3.051 45 HD12 LEU 9 2HD1 LEU 9 6.571 5.813 1.600 46 HD13 LEU 9 3HD1 LEU 9 8.342 5.780 1.472 47 HD21 LEU 9 3HD2 LEU 9 5.370 3.950 2.772 48 HD22 LEU 9 1HD2 LEU 9 6.421 4.200 4.183 49 HD23 LEU 9 2HD2 LEU 9 6.295 2.599 3.453 50 H TYR 10 H TYR 10 5.445 0.557 0.702 51 HA TYR 10 HA TYR 10 5.679 0.238 -2.258 52 HB2 TYR 10 1HB TYR 10 4.432 -1.696 -0.270 53 HB3 TYR 10 2HB TYR 10 4.347 -1.829 -2.023 54 HD1 TYR 10 1HD TYR 10 6.584 -2.056 0.914 55 HD2 TYR 10 2HD TYR 10 6.270 -2.548 -3.355 56 HE1 TYR 10 1HE TYR 10 8.777 -3.252 0.893 57 HE2 TYR 10 2HE TYR 10 8.452 -3.758 -3.374 58 HH TYR 10 HH TYR 10 10.339 -4.340 -0.383 59 H TYR 11 H TYR 11 3.845 0.736 -3.426 60 HA TYR 11 HA TYR 11 1.911 2.478 -1.972 61 HB2 TYR 11 1HB TYR 11 3.091 2.635 -4.759 62 HB3 TYR 11 2HB TYR 11 1.756 3.629 -4.204 63 HD1 TYR 11 1HD TYR 11 5.345 2.785 -3.400 64 HD2 TYR 11 2HD TYR 11 2.140 5.662 -3.084 65 HE1 TYR 11 1HE TYR 11 6.913 4.424 -2.377 66 HE2 TYR 11 2HE TYR 11 3.719 7.306 -2.093 67 HH TYR 11 HH TYR 11 5.868 7.709 -1.398 68 H CYS 12 H CYS 12 -0.222 2.505 -2.419 69 HA CYS 12 HA CYS 12 -1.538 0.102 -3.160 70 HB2 CYS 12 1HB CYS 12 -2.320 1.772 -1.547 71 HB3 CYS 12 2HB CYS 12 -2.523 2.956 -2.846 72 H SER 13 H SER 13 -2.814 -0.430 -4.886 73 HA SER 13 HA SER 13 -2.071 0.684 -7.521 74 HB2 SER 13 1HB SER 13 -3.798 -1.694 -6.759 75 HB3 SER 13 2HB SER 13 -3.356 -1.231 -8.414 76 HG SER 13 HG SER 13 -1.948 -2.834 -7.569 77 H GLN 14 H GLN 14 -4.609 1.175 -5.257 78 HA GLN 14 HA GLN 14 -6.483 2.188 -7.381 79 HB2 GLN 14 1HB GLN 14 -6.970 0.981 -4.644 80 HB3 GLN 14 2HB GLN 14 -8.183 1.939 -5.478 81 HG2 GLN 14 1HG GLN 14 -8.705 -0.320 -5.909 82 HG3 GLN 14 2HG GLN 14 -8.114 0.377 -7.413 83 HE21 GLN 14 1HE2 GLN 14 -6.834 -1.444 -4.532 84 HE22 GLN 14 2HE2 GLN 14 -5.818 -2.494 -5.509 85 H CYS 15 H CYS 15 -4.590 3.240 -4.614 86 HA CYS 15 HA CYS 15 -5.569 5.987 -4.993 87 HB2 CYS 15 1HB CYS 15 -6.240 6.345 -2.738 88 HB3 CYS 15 2HB CYS 15 -7.117 4.951 -3.342 89 H HIS 16 H HIS 16 -4.401 7.279 -2.955 90 HA HIS 16 HA HIS 16 -1.590 7.231 -3.774 91 HB2 HIS 16 1HB HIS 16 -3.087 9.149 -1.956 92 HB3 HIS 16 2HB HIS 16 -1.484 9.401 -2.644 93 HD1 HIS 16 1HD HIS 16 -4.896 10.428 -3.334 94 HD2 HIS 16 2HD HIS 16 -1.587 9.147 -5.600 95 HE1 HIS 16 1HE HIS 16 -5.311 11.229 -5.719 96 H TYR 17 H TYR 17 -3.098 5.527 -1.358 97 HA TYR 17 HA TYR 17 -1.480 5.988 0.945 98 HB2 TYR 17 1HB TYR 17 -3.637 4.845 0.992 99 HB3 TYR 17 2HB TYR 17 -2.998 3.541 0.000 100 HD1 TYR 17 1HD TYR 17 -3.005 5.048 3.383 101 HD2 TYR 17 2HD TYR 17 -1.578 1.798 0.930 102 HE1 TYR 17 1HE TYR 17 -2.359 3.784 5.430 103 HE2 TYR 17 2HE TYR 17 -0.923 0.540 2.982 104 HH TYR 17 HH TYR 17 -1.461 1.854 6.271 105 H SER 18 H SER 18 0.255 4.863 1.849 106 HA SER 18 HA SER 18 1.515 2.676 0.397 107 HB2 SER 18 1HB SER 18 3.777 3.620 0.456 108 HB3 SER 18 2HB SER 18 2.687 4.582 -0.552 109 HG SER 18 HG SER 18 3.910 5.950 0.766 110 H SER 19 H SER 19 2.934 1.403 1.628 111 HA SER 19 HA SER 19 3.339 2.007 4.483 112 HB2 SER 19 1HB SER 19 1.128 0.819 4.326 113 HB3 SER 19 2HB SER 19 1.985 -0.597 3.684 114 HG SER 19 HG SER 19 1.596 -0.389 6.084 115 H ILE 20 H ILE 20 4.904 0.537 5.498 116 HA ILE 20 HA ILE 20 6.988 -0.278 3.587 117 HB ILE 20 HB ILE 20 8.349 -0.832 5.563 118 HG12 ILE 20 1HG1 ILE 20 6.098 0.423 7.205 119 HG13 ILE 20 2HG1 ILE 20 6.533 -1.287 7.207 120 HG21 ILE 20 1HG2 ILE 20 8.386 1.369 4.361 121 HG22 ILE 20 2HG2 ILE 20 7.281 2.018 5.597 122 HG23 ILE 20 3HG2 ILE 20 8.909 1.468 6.040 123 HD11 ILE 20 3HD1 ILE 20 7.489 -0.270 9.154 124 HD12 ILE 20 1HD1 ILE 20 8.812 -0.691 8.048 125 HD13 ILE 20 2HD1 ILE 20 8.267 1.000 8.201 126 H THR 21 H THR 21 7.579 -2.247 3.048 127 HA THR 21 HA THR 21 7.398 -4.416 2.492 128 HB THR 21 HB THR 21 6.311 -4.917 5.272 129 HG1 THR 21 1HG THR 21 8.472 -5.293 5.737 130 HG21 THR 21 3HG2 THR 21 5.998 -6.901 3.875 131 HG22 THR 21 1HG2 THR 21 7.360 -7.158 4.962 132 HG23 THR 21 2HG2 THR 21 7.662 -6.767 3.255 133 H LYS 22 H LYS 22 6.146 -5.620 1.218 134 HA LYS 22 HA LYS 22 3.568 -4.713 0.487 135 HB2 LYS 22 1HB LYS 22 4.954 -7.363 -0.110 136 HB3 LYS 22 2HB LYS 22 3.479 -6.788 -0.905 137 HG2 LYS 22 1HG LYS 22 4.681 -4.785 -1.737 138 HG3 LYS 22 2HG LYS 22 6.158 -5.333 -0.937 139 HD2 LYS 22 1HD LYS 22 6.327 -5.866 -3.262 140 HD3 LYS 22 2HD LYS 22 6.173 -7.376 -2.354 141 HE2 LYS 22 1HE LYS 22 3.759 -7.483 -2.947 142 HE3 LYS 22 2HE LYS 22 3.896 -5.944 -3.807 143 HZ1 LYS 22 3HZ LYS 22 4.051 -7.829 -5.330 144 HZ2 LYS 22 1HZ LYS 22 5.342 -8.437 -4.538 145 HZ3 LYS 22 2HZ LYS 22 5.465 -7.015 -5.335 146 H ASN 23 H ASN 23 4.384 -7.298 2.745 147 HA ASN 23 HA ASN 23 1.788 -8.445 3.016 148 HB2 ASN 23 1HB ASN 23 3.942 -9.452 3.798 149 HB3 ASN 23 2HB ASN 23 4.041 -8.227 5.068 150 HD21 ASN 23 1HD2 ASN 23 2.196 -11.064 3.923 151 HD22 ASN 23 2HD2 ASN 23 1.435 -11.360 5.479 152 H CYS 24 H CYS 24 3.009 -5.384 4.283 153 HA CYS 24 HA CYS 24 0.690 -5.050 6.098 154 HB2 CYS 24 1HB CYS 24 3.003 -3.213 5.385 155 HB3 CYS 24 2HB CYS 24 1.748 -2.872 6.586 156 HG CYS 24 HG CYS 24 4.048 -3.604 7.719 157 H LEU 25 H LEU 25 1.915 -3.665 2.991 158 HA LEU 25 HA LEU 25 -0.201 -1.934 2.473 159 HB2 LEU 25 1HB LEU 25 1.871 -1.981 1.166 160 HB3 LEU 25 2HB LEU 25 1.486 -3.598 0.571 161 HG LEU 25 HG LEU 25 -0.517 -2.683 -0.622 162 HD11 LEU 25 1HD1 LEU 25 0.601 0.018 0.255 163 HD12 LEU 25 2HD1 LEU 25 -0.969 -0.678 0.729 164 HD13 LEU 25 3HD1 LEU 25 -0.679 -0.235 -0.951 165 HD21 LEU 25 3HD2 LEU 25 2.071 -1.291 -1.323 166 HD22 LEU 25 1HD2 LEU 25 0.711 -1.640 -2.409 167 HD23 LEU 25 2HD2 LEU 25 1.666 -2.970 -1.741 168 H LYS 26 H LYS 26 0.005 -5.437 1.754 169 HA LYS 26 HA LYS 26 -2.382 -5.799 0.322 170 HB2 LYS 26 1HB LYS 26 -0.570 -7.475 0.737 171 HB3 LYS 26 2HB LYS 26 -1.160 -7.684 2.393 172 HG2 LYS 26 1HG LYS 26 -3.334 -8.493 1.511 173 HG3 LYS 26 2HG LYS 26 -2.773 -8.217 -0.149 174 HD2 LYS 26 1HD LYS 26 -0.962 -9.886 0.196 175 HD3 LYS 26 2HD LYS 26 -1.532 -10.155 1.859 176 HE2 LYS 26 1HE LYS 26 -3.741 -10.883 0.981 177 HE3 LYS 26 2HE LYS 26 -3.178 -10.609 -0.673 178 HZ1 LYS 26 3HZ LYS 26 -2.977 -12.945 -0.048 179 HZ2 LYS 26 1HZ LYS 26 -2.011 -12.587 1.216 180 HZ3 LYS 26 2HZ LYS 26 -1.490 -12.332 -0.312 181 H ARG 27 H ARG 27 -2.043 -5.339 3.808 182 HA ARG 27 HA ARG 27 -4.735 -6.139 4.538 183 HB2 ARG 27 1HB ARG 27 -2.907 -4.226 6.053 184 HB3 ARG 27 2HB ARG 27 -4.223 -5.201 6.711 185 HG2 ARG 27 1HG ARG 27 -2.943 -7.276 6.244 186 HG3 ARG 27 2HG ARG 27 -1.657 -6.315 5.501 187 HD2 ARG 27 1HD ARG 27 -1.433 -5.087 7.724 188 HD3 ARG 27 2HD ARG 27 -2.449 -6.373 8.412 189 HE ARG 27 HE ARG 27 -0.201 -7.411 6.865 190 HH11 ARG 27 2HH1 ARG 27 -0.911 -6.063 10.026 191 HH12 ARG 27 1HH1 ARG 27 0.465 -6.835 10.764 192 HH21 ARG 27 2HH2 ARG 27 1.516 -8.408 7.887 193 HH22 ARG 27 1HH2 ARG 27 1.797 -8.113 9.580 194 H HIS 28 H HIS 28 -3.284 -2.981 3.701 195 HA HIS 28 HA HIS 28 -5.696 -1.417 4.005 196 HB2 HIS 28 1HB HIS 28 -3.647 -0.236 3.841 197 HB3 HIS 28 2HB HIS 28 -3.150 -1.085 2.386 198 HD1 HIS 28 1HD HIS 28 -5.295 1.867 3.444 199 HD2 HIS 28 2HD HIS 28 -4.187 -0.310 0.025 200 HE1 HIS 28 1HE HIS 28 -6.071 3.251 1.465 201 H VAL 29 H VAL 29 -4.334 -3.228 1.196 202 HA VAL 29 HA VAL 29 -6.443 -2.518 -0.604 203 HB VAL 29 HB VAL 29 -4.645 -4.965 -0.660 204 HG11 VAL 29 1HG1 VAL 29 -6.581 -5.308 -2.141 205 HG12 VAL 29 2HG1 VAL 29 -6.345 -3.694 -2.850 206 HG13 VAL 29 3HG1 VAL 29 -5.138 -4.976 -3.099 207 HG21 VAL 29 3HG2 VAL 29 -4.406 -2.260 -2.064 208 HG22 VAL 29 1HG2 VAL 29 -3.373 -2.826 -0.739 209 HG23 VAL 29 2HG2 VAL 29 -3.328 -3.654 -2.293 210 H ILE 30 H ILE 30 -6.167 -5.329 1.599 211 HA ILE 30 HA ILE 30 -8.673 -6.545 0.961 212 HB ILE 30 HB ILE 30 -6.943 -6.526 3.457 213 HG12 ILE 30 1HG1 ILE 30 -7.509 -8.789 1.501 214 HG13 ILE 30 2HG1 ILE 30 -6.195 -7.662 1.248 215 HG21 ILE 30 1HG2 ILE 30 -9.447 -8.204 2.977 216 HG22 ILE 30 2HG2 ILE 30 -8.280 -8.468 4.288 217 HG23 ILE 30 3HG2 ILE 30 -9.217 -6.991 4.258 218 HD11 ILE 30 3HD1 ILE 30 -6.473 -9.556 3.618 219 HD12 ILE 30 1HD1 ILE 30 -5.328 -9.660 2.281 220 HD13 ILE 30 2HD1 ILE 30 -5.200 -8.324 3.442 221 H GLN 31 H GLN 31 -7.906 -4.005 3.387 222 HA GLN 31 HA GLN 31 -10.609 -3.993 4.434 223 HB2 GLN 31 1HB GLN 31 -8.160 -2.263 4.898 224 HB3 GLN 31 2HB GLN 31 -9.690 -2.014 5.748 225 HG2 GLN 31 1HG GLN 31 -9.621 -4.227 6.732 226 HG3 GLN 31 2HG GLN 31 -8.202 -4.674 5.795 227 HE21 GLN 31 1HE2 GLN 31 -7.634 -5.175 8.239 228 HE22 GLN 31 2HE2 GLN 31 -6.778 -3.873 9.051 229 H LYS 32 H LYS 32 -8.920 -1.870 2.127 230 HA LYS 32 HA LYS 32 -11.228 0.035 2.163 231 HB2 LYS 32 1HB LYS 32 -8.388 0.428 1.152 232 HB3 LYS 32 2HB LYS 32 -9.628 1.665 1.297 233 HG2 LYS 32 1HG LYS 32 -8.291 0.179 3.601 234 HG3 LYS 32 2HG LYS 32 -8.019 1.848 3.105 235 HD2 LYS 32 1HD LYS 32 -10.385 2.402 3.666 236 HD3 LYS 32 2HD LYS 32 -10.623 0.737 4.243 237 HE2 LYS 32 1HE LYS 32 -8.803 1.040 5.899 238 HE3 LYS 32 2HE LYS 32 -8.559 2.698 5.333 239 HZ1 LYS 32 3HZ LYS 32 -11.066 1.678 6.566 240 HZ2 LYS 32 1HZ LYS 32 -10.835 3.208 6.044 241 HZ3 LYS 32 2HZ LYS 32 -9.974 2.637 7.306 242 H HIS 33 H HIS 33 -9.926 -2.318 0.014 243 HA HIS 33 HA HIS 33 -11.447 -1.119 -2.264 244 HB2 HIS 33 1HB HIS 33 -8.668 -2.332 -2.433 245 HB3 HIS 33 2HB HIS 33 -9.601 -1.655 -3.763 246 HD1 HIS 33 1HD HIS 33 -10.352 1.166 -2.953 247 HD2 HIS 33 2HD HIS 33 -6.807 -0.702 -1.698 248 HE1 HIS 33 1HE HIS 33 -8.778 3.044 -2.301 249 H SER 34 H SER 34 -11.785 -2.654 -4.079 250 HA SER 34 HA SER 34 -11.587 -5.515 -3.568 251 HB2 SER 34 1HB SER 34 -13.718 -4.938 -2.395 252 HB3 SER 34 2HB SER 34 -14.354 -4.292 -3.922 253 HG SER 34 HG SER 34 -14.973 -6.478 -3.577 254 H ASN 35 H ASN 35 -12.004 -6.770 -5.405 255 HA ASN 35 HA ASN 35 -12.525 -5.407 -8.005 256 HB2 ASN 35 1HB ASN 35 -10.355 -7.481 -7.444 257 HB3 ASN 35 2HB ASN 35 -10.816 -6.919 -9.049 258 HD21 ASN 35 1HD2 ASN 35 -10.474 -4.596 -9.575 259 HD22 ASN 35 2HD2 ASN 35 -9.176 -3.761 -8.736 260 H ILE 36 H ILE 36 -13.989 -7.266 -5.919 261 HA ILE 36 HA ILE 36 -15.104 -9.221 -7.874 262 HB ILE 36 HB ILE 36 -15.139 -10.943 -6.114 263 HG12 ILE 36 1HG1 ILE 36 -13.278 -9.114 -4.526 264 HG13 ILE 36 2HG1 ILE 36 -14.968 -9.428 -4.129 265 HG21 ILE 36 1HG2 ILE 36 -13.364 -10.816 -7.880 266 HG22 ILE 36 2HG2 ILE 36 -12.303 -10.008 -6.704 267 HG23 ILE 36 3HG2 ILE 36 -12.862 -11.668 -6.419 268 HD11 ILE 36 3HD1 ILE 36 -13.581 -10.806 -2.730 269 HD12 ILE 36 1HD1 ILE 36 -14.434 -11.861 -3.874 270 HD13 ILE 36 2HD1 ILE 36 -12.713 -11.469 -4.121 271 H LEU 37 H LEU 37 -17.136 -10.159 -7.254 272 HA LEU 37 HA LEU 37 -19.001 -8.180 -6.113 273 HB2 LEU 37 1HB LEU 37 -19.382 -10.805 -7.618 274 HB3 LEU 37 2HB LEU 37 -20.700 -9.919 -6.899 275 HG LEU 37 HG LEU 37 -20.672 -9.519 -9.232 276 HD11 LEU 37 1HD1 LEU 37 -19.703 -6.985 -7.857 277 HD12 LEU 37 2HD1 LEU 37 -21.349 -7.651 -7.743 278 HD13 LEU 37 3HD1 LEU 37 -20.718 -7.104 -9.307 279 HD21 LEU 37 3HD2 LEU 37 -17.927 -8.238 -9.025 280 HD22 LEU 37 1HD2 LEU 37 -18.929 -8.439 -10.470 281 HD23 LEU 37 2HD2 LEU 37 -18.244 -9.866 -9.676 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 10.841 15.302 -2.788 2 H2 GLY 1 2H GLY 1 12.202 15.365 -3.697 3 H3 GLY 1 3H GLY 1 12.273 15.664 -2.086 4 HA2 GLY 1 1HA GLY 1 11.584 13.075 -3.318 5 HA3 GLY 1 2HA GLY 1 13.139 13.467 -2.564 6 H SER 2 H SER 2 12.021 11.305 -1.588 7 HA SER 2 HA SER 2 11.176 12.022 1.155 8 HB2 SER 2 1HB SER 2 9.324 10.405 1.122 9 HB3 SER 2 2HB SER 2 9.057 11.736 -0.011 10 HG SER 2 HG SER 2 8.562 9.713 -0.958 11 H SER 3 H SER 3 11.233 10.152 2.634 12 HA SER 3 HA SER 3 12.917 7.853 1.865 13 HB2 SER 3 1HB SER 3 14.552 8.294 3.643 14 HB3 SER 3 2HB SER 3 14.556 9.575 2.426 15 HG SER 3 HG SER 3 14.592 10.420 4.558 16 H GLY 4 H GLY 4 13.197 6.302 3.681 17 HA2 GLY 4 1HA GLY 4 11.742 6.279 6.084 18 HA3 GLY 4 2HA GLY 4 10.690 5.572 4.858 19 H SER 5 H SER 5 10.877 3.661 6.286 20 HA SER 5 HA SER 5 13.163 2.223 6.897 21 HB2 SER 5 1HB SER 5 10.442 1.088 6.159 22 HB3 SER 5 2HB SER 5 11.711 0.253 7.079 23 HG SER 5 HG SER 5 10.201 1.211 8.493 24 H SER 6 H SER 6 14.504 0.860 5.953 25 HA SER 6 HA SER 6 15.889 0.172 4.343 26 HB2 SER 6 1HB SER 6 15.167 -1.702 3.016 27 HB3 SER 6 2HB SER 6 14.544 -1.786 4.663 28 HG SER 6 HG SER 6 12.962 -2.334 3.096 29 H GLY 7 H GLY 7 14.506 2.755 3.618 30 HA2 GLY 7 1HA GLY 7 14.792 4.305 1.963 31 HA3 GLY 7 2HA GLY 7 15.761 3.148 1.049 32 H HIS 8 H HIS 8 12.608 1.906 1.785 33 HA HIS 8 HA HIS 8 11.422 2.886 -0.754 34 HB2 HIS 8 1HB HIS 8 12.862 0.966 -1.361 35 HB3 HIS 8 2HB HIS 8 12.002 -0.052 -0.209 36 HD1 HIS 8 1HD HIS 8 9.443 -0.757 -0.936 37 HD2 HIS 8 2HD HIS 8 11.683 1.482 -3.710 38 HE1 HIS 8 1HE HIS 8 8.194 -0.910 -3.144 39 H LEU 9 H LEU 9 9.415 3.429 -0.367 40 HA LEU 9 HA LEU 9 7.718 1.884 1.547 41 HB2 LEU 9 1HB LEU 9 7.285 4.615 0.268 42 HB3 LEU 9 2HB LEU 9 6.095 3.745 1.211 43 HG LEU 9 HG LEU 9 6.969 5.406 2.596 44 HD11 LEU 9 1HD1 LEU 9 6.613 3.194 3.680 45 HD12 LEU 9 2HD1 LEU 9 7.810 4.203 4.511 46 HD13 LEU 9 3HD1 LEU 9 8.350 2.850 3.499 47 HD21 LEU 9 3HD2 LEU 9 9.813 4.396 2.288 48 HD22 LEU 9 1HD2 LEU 9 9.226 5.834 3.145 49 HD23 LEU 9 2HD2 LEU 9 9.137 5.774 1.381 50 H TYR 10 H TYR 10 5.835 0.930 0.872 51 HA TYR 10 HA TYR 10 5.751 0.236 -2.029 52 HB2 TYR 10 1HB TYR 10 4.747 -1.211 0.443 53 HB3 TYR 10 2HB TYR 10 4.492 -1.745 -1.203 54 HD1 TYR 10 1HD TYR 10 7.383 -0.777 1.073 55 HD2 TYR 10 2HD TYR 10 5.931 -3.340 -2.087 56 HE1 TYR 10 1HE TYR 10 9.518 -2.049 1.124 57 HE2 TYR 10 2HE TYR 10 8.068 -4.606 -2.031 58 HH TYR 10 HH TYR 10 10.136 -4.823 -1.058 59 H TYR 11 H TYR 11 4.109 0.974 -3.211 60 HA TYR 11 HA TYR 11 2.005 2.568 -1.849 61 HB2 TYR 11 1HB TYR 11 3.232 2.702 -4.608 62 HB3 TYR 11 2HB TYR 11 1.763 3.559 -4.187 63 HD1 TYR 11 1HD TYR 11 5.386 3.246 -3.287 64 HD2 TYR 11 2HD TYR 11 1.783 5.604 -2.982 65 HE1 TYR 11 1HE TYR 11 6.694 5.114 -2.305 66 HE2 TYR 11 2HE TYR 11 3.101 7.482 -2.011 67 HH TYR 11 HH TYR 11 6.639 7.251 -1.472 68 H CYS 12 H CYS 12 -0.104 2.494 -2.258 69 HA CYS 12 HA CYS 12 -1.412 0.080 -2.949 70 HB2 CYS 12 1HB CYS 12 -2.231 1.808 -1.417 71 HB3 CYS 12 2HB CYS 12 -2.376 2.956 -2.758 72 H SER 13 H SER 13 -2.693 -0.488 -4.687 73 HA SER 13 HA SER 13 -1.937 0.651 -7.319 74 HB2 SER 13 1HB SER 13 -2.854 -1.474 -8.238 75 HB3 SER 13 2HB SER 13 -1.449 -1.635 -7.179 76 HG SER 13 HG SER 13 -2.893 -3.190 -6.574 77 H GLN 14 H GLN 14 -4.395 1.172 -5.161 78 HA GLN 14 HA GLN 14 -6.251 2.020 -7.376 79 HB2 GLN 14 1HB GLN 14 -6.937 1.136 -4.557 80 HB3 GLN 14 2HB GLN 14 -8.061 1.917 -5.657 81 HG2 GLN 14 1HG GLN 14 -8.572 -0.362 -5.810 82 HG3 GLN 14 2HG GLN 14 -7.705 0.023 -7.290 83 HE21 GLN 14 1HE2 GLN 14 -6.276 -1.621 -7.833 84 HE22 GLN 14 2HE2 GLN 14 -5.282 -2.460 -6.649 85 H CYS 15 H CYS 15 -4.451 3.138 -4.548 86 HA CYS 15 HA CYS 15 -5.360 5.894 -5.077 87 HB2 CYS 15 1HB CYS 15 -6.116 6.332 -2.868 88 HB3 CYS 15 2HB CYS 15 -6.975 4.920 -3.455 89 H HIS 16 H HIS 16 -4.266 7.199 -2.966 90 HA HIS 16 HA HIS 16 -1.440 7.190 -3.753 91 HB2 HIS 16 1HB HIS 16 -1.387 9.382 -2.684 92 HB3 HIS 16 2HB HIS 16 -2.716 9.253 -3.824 93 HD1 HIS 16 1HD HIS 16 -5.124 9.766 -2.845 94 HD2 HIS 16 2HD HIS 16 -2.093 9.239 0.032 95 HE1 HIS 16 1HE HIS 16 -6.163 10.359 -0.595 96 H TYR 17 H TYR 17 -3.014 5.563 -1.303 97 HA TYR 17 HA TYR 17 -1.405 6.064 1.000 98 HB2 TYR 17 1HB TYR 17 -3.578 4.967 1.078 99 HB3 TYR 17 2HB TYR 17 -2.978 3.635 0.100 100 HD1 TYR 17 1HD TYR 17 -2.803 5.231 3.457 101 HD2 TYR 17 2HD TYR 17 -1.724 1.816 1.050 102 HE1 TYR 17 1HE TYR 17 -2.167 3.980 5.514 103 HE2 TYR 17 2HE TYR 17 -1.100 0.566 3.113 104 HH TYR 17 HH TYR 17 -1.376 2.007 6.377 105 H SER 18 H SER 18 0.293 4.874 1.965 106 HA SER 18 HA SER 18 1.564 2.718 0.469 107 HB2 SER 18 1HB SER 18 3.817 3.634 0.559 108 HB3 SER 18 2HB SER 18 2.748 4.681 -0.380 109 HG SER 18 HG SER 18 3.988 5.945 1.017 110 H SER 19 H SER 19 3.006 1.423 1.650 111 HA SER 19 HA SER 19 3.185 1.766 4.582 112 HB2 SER 19 1HB SER 19 1.026 0.561 4.025 113 HB3 SER 19 2HB SER 19 2.017 -0.784 3.422 114 HG SER 19 HG SER 19 1.301 -0.736 5.754 115 H ILE 20 H ILE 20 4.287 -0.378 5.459 116 HA ILE 20 HA ILE 20 6.853 -0.635 3.983 117 HB ILE 20 HB ILE 20 7.706 -1.631 6.109 118 HG12 ILE 20 1HG1 ILE 20 5.179 -0.450 7.369 119 HG13 ILE 20 2HG1 ILE 20 5.469 -2.176 7.168 120 HG21 ILE 20 1HG2 ILE 20 8.093 0.592 7.067 121 HG22 ILE 20 2HG2 ILE 20 8.101 0.694 5.307 122 HG23 ILE 20 3HG2 ILE 20 6.678 1.241 6.215 123 HD11 ILE 20 3HD1 ILE 20 6.009 -1.586 9.423 124 HD12 ILE 20 1HD1 ILE 20 7.523 -1.981 8.585 125 HD13 ILE 20 2HD1 ILE 20 7.087 -0.282 8.905 126 H THR 21 H THR 21 7.088 -2.171 2.671 127 HA THR 21 HA THR 21 6.932 -4.018 1.458 128 HB THR 21 HB THR 21 7.154 -6.134 2.281 129 HG1 THR 21 1HG THR 21 5.920 -5.217 4.639 130 HG21 THR 21 3HG2 THR 21 9.038 -4.676 2.984 131 HG22 THR 21 1HG2 THR 21 8.775 -6.066 4.055 132 HG23 THR 21 2HG2 THR 21 8.247 -4.450 4.564 133 H LYS 22 H LYS 22 5.643 -5.668 0.475 134 HA LYS 22 HA LYS 22 2.886 -5.049 0.161 135 HB2 LYS 22 1HB LYS 22 2.740 -7.118 -1.107 136 HB3 LYS 22 2HB LYS 22 4.158 -6.170 -1.553 137 HG2 LYS 22 1HG LYS 22 5.605 -7.671 -0.198 138 HG3 LYS 22 2HG LYS 22 4.179 -8.626 0.266 139 HD2 LYS 22 1HD LYS 22 3.768 -9.166 -2.125 140 HD3 LYS 22 2HD LYS 22 5.204 -8.222 -2.581 141 HE2 LYS 22 1HE LYS 22 6.621 -9.720 -1.188 142 HE3 LYS 22 2HE LYS 22 5.191 -10.661 -0.743 143 HZ1 LYS 22 3HZ LYS 22 6.238 -10.359 -3.510 144 HZ2 LYS 22 1HZ LYS 22 4.914 -11.226 -3.102 145 HZ3 LYS 22 2HZ LYS 22 6.388 -11.693 -2.586 146 H ASN 23 H ASN 23 4.430 -7.038 2.577 147 HA ASN 23 HA ASN 23 2.174 -8.639 3.333 148 HB2 ASN 23 1HB ASN 23 4.514 -7.807 5.099 149 HB3 ASN 23 2HB ASN 23 3.500 -9.232 5.269 150 HD21 ASN 23 1HD2 ASN 23 6.291 -7.888 3.747 151 HD22 ASN 23 2HD2 ASN 23 6.735 -9.344 2.848 152 H CYS 24 H CYS 24 3.083 -5.339 4.190 153 HA CYS 24 HA CYS 24 0.837 -5.193 6.145 154 HB2 CYS 24 1HB CYS 24 3.208 -4.329 6.656 155 HB3 CYS 24 2HB CYS 24 2.823 -2.995 5.553 156 HG CYS 24 HG CYS 24 2.441 -2.181 8.007 157 H LEU 25 H LEU 25 1.957 -3.715 3.046 158 HA LEU 25 HA LEU 25 -0.143 -1.961 2.647 159 HB2 LEU 25 1HB LEU 25 1.897 -2.067 1.275 160 HB3 LEU 25 2HB LEU 25 1.391 -3.632 0.638 161 HG LEU 25 HG LEU 25 -0.568 -2.571 -0.465 162 HD11 LEU 25 1HD1 LEU 25 0.685 0.033 0.516 163 HD12 LEU 25 2HD1 LEU 25 -0.913 -0.614 0.971 164 HD13 LEU 25 3HD1 LEU 25 -0.615 -0.102 -0.688 165 HD21 LEU 25 3HD2 LEU 25 2.073 -1.266 -1.169 166 HD22 LEU 25 1HD2 LEU 25 0.673 -1.525 -2.235 167 HD23 LEU 25 2HD2 LEU 25 1.586 -2.911 -1.635 168 H LYS 26 H LYS 26 -0.125 -5.478 1.861 169 HA LYS 26 HA LYS 26 -2.579 -5.609 0.471 170 HB2 LYS 26 1HB LYS 26 -0.873 -7.412 0.675 171 HB3 LYS 26 2HB LYS 26 -1.377 -7.691 2.350 172 HG2 LYS 26 1HG LYS 26 -3.643 -8.322 1.549 173 HG3 LYS 26 2HG LYS 26 -3.157 -7.970 -0.120 174 HD2 LYS 26 1HD LYS 26 -1.433 -9.755 0.014 175 HD3 LYS 26 2HD LYS 26 -1.918 -10.095 1.690 176 HE2 LYS 26 1HE LYS 26 -4.216 -10.644 0.907 177 HE3 LYS 26 2HE LYS 26 -3.730 -10.307 -0.760 178 HZ1 LYS 26 3HZ LYS 26 -3.630 -12.684 -0.272 179 HZ2 LYS 26 1HZ LYS 26 -2.575 -12.451 0.951 180 HZ3 LYS 26 2HZ LYS 26 -2.126 -12.139 -0.590 181 H ARG 27 H ARG 27 -2.093 -5.249 3.934 182 HA ARG 27 HA ARG 27 -4.759 -6.010 4.788 183 HB2 ARG 27 1HB ARG 27 -2.834 -4.111 6.193 184 HB3 ARG 27 2HB ARG 27 -4.125 -5.059 6.923 185 HG2 ARG 27 1HG ARG 27 -2.907 -7.155 6.446 186 HG3 ARG 27 2HG ARG 27 -1.639 -6.252 5.607 187 HD2 ARG 27 1HD ARG 27 -1.281 -4.955 7.781 188 HD3 ARG 27 2HD ARG 27 -2.278 -6.206 8.561 189 HE ARG 27 HE ARG 27 -0.177 -7.362 6.924 190 HH11 ARG 27 1HH1 ARG 27 -0.499 -5.752 10.021 191 HH12 ARG 27 2HH1 ARG 27 0.969 -6.460 10.634 192 HH21 ARG 27 1HH2 ARG 27 1.622 -8.248 7.759 193 HH22 ARG 27 2HH2 ARG 27 2.143 -7.859 9.377 194 H HIS 28 H HIS 28 -3.384 -2.973 3.613 195 HA HIS 28 HA HIS 28 -5.779 -1.365 4.116 196 HB2 HIS 28 1HB HIS 28 -3.761 -0.165 3.929 197 HB3 HIS 28 2HB HIS 28 -3.246 -1.027 2.492 198 HD1 HIS 28 1HD HIS 28 -5.353 1.960 3.481 199 HD2 HIS 28 2HD HIS 28 -4.225 -0.285 0.110 200 HE1 HIS 28 1HE HIS 28 -5.993 3.367 1.470 201 H VAL 29 H VAL 29 -4.461 -3.175 1.295 202 HA VAL 29 HA VAL 29 -6.561 -2.509 -0.518 203 HB VAL 29 HB VAL 29 -4.843 -5.021 -0.485 204 HG11 VAL 29 1HG1 VAL 29 -6.334 -3.671 -2.775 205 HG12 VAL 29 2HG1 VAL 29 -5.255 -5.072 -2.914 206 HG13 VAL 29 3HG1 VAL 29 -6.776 -5.226 -2.031 207 HG21 VAL 29 3HG2 VAL 29 -3.409 -3.799 -2.092 208 HG22 VAL 29 1HG2 VAL 29 -4.404 -2.342 -1.890 209 HG23 VAL 29 2HG2 VAL 29 -3.440 -2.971 -0.539 210 H ILE 30 H ILE 30 -6.289 -5.278 1.735 211 HA ILE 30 HA ILE 30 -8.748 -6.564 1.149 212 HB ILE 30 HB ILE 30 -7.069 -6.343 3.671 213 HG12 ILE 30 1HG1 ILE 30 -7.571 -8.741 1.857 214 HG13 ILE 30 2HG1 ILE 30 -6.273 -7.606 1.550 215 HG21 ILE 30 1HG2 ILE 30 -9.346 -6.804 4.474 216 HG22 ILE 30 2HG2 ILE 30 -9.532 -8.104 3.275 217 HG23 ILE 30 3HG2 ILE 30 -8.378 -8.254 4.615 218 HD11 ILE 30 3HD1 ILE 30 -5.389 -9.529 2.716 219 HD12 ILE 30 1HD1 ILE 30 -5.286 -8.117 3.785 220 HD13 ILE 30 2HD1 ILE 30 -6.547 -9.348 4.036 221 H GLN 31 H GLN 31 -8.129 -3.865 3.445 222 HA GLN 31 HA GLN 31 -10.907 -3.873 4.347 223 HB2 GLN 31 1HB GLN 31 -8.493 -2.138 4.971 224 HB3 GLN 31 2HB GLN 31 -10.088 -1.875 5.692 225 HG2 GLN 31 1HG GLN 31 -10.103 -4.110 6.675 226 HG3 GLN 31 2HG GLN 31 -8.573 -4.516 5.895 227 HE21 GLN 31 1HE2 GLN 31 -6.633 -3.293 6.543 228 HE22 GLN 31 2HE2 GLN 31 -6.564 -2.622 8.181 229 H LYS 32 H LYS 32 -9.051 -1.839 2.100 230 HA LYS 32 HA LYS 32 -11.364 0.042 1.841 231 HB2 LYS 32 1HB LYS 32 -8.467 0.345 0.961 232 HB3 LYS 32 2HB LYS 32 -9.710 1.588 0.903 233 HG2 LYS 32 1HG LYS 32 -8.531 0.342 3.425 234 HG3 LYS 32 2HG LYS 32 -8.208 1.950 2.779 235 HD2 LYS 32 1HD LYS 32 -10.610 2.558 3.116 236 HD3 LYS 32 2HD LYS 32 -10.886 0.967 3.862 237 HE2 LYS 32 1HE LYS 32 -9.173 1.471 5.582 238 HE3 LYS 32 2HE LYS 32 -8.895 3.055 4.848 239 HZ1 LYS 32 3HZ LYS 32 -11.210 3.625 5.355 240 HZ2 LYS 32 1HZ LYS 32 -10.430 3.207 6.722 241 HZ3 LYS 32 2HZ LYS 32 -11.473 2.160 6.032 242 H HIS 33 H HIS 33 -9.692 -2.349 -0.075 243 HA HIS 33 HA HIS 33 -11.173 -1.456 -2.507 244 HB2 HIS 33 1HB HIS 33 -8.299 -2.396 -2.460 245 HB3 HIS 33 2HB HIS 33 -9.196 -1.777 -3.841 246 HD1 HIS 33 1HD HIS 33 -10.280 0.966 -2.766 247 HD2 HIS 33 2HD HIS 33 -6.506 -0.661 -1.911 248 HE1 HIS 33 1HE HIS 33 -8.817 2.933 -2.110 249 H SER 34 H SER 34 -12.056 -3.482 -0.754 250 HA SER 34 HA SER 34 -11.453 -6.133 -1.630 251 HB2 SER 34 1HB SER 34 -12.596 -5.540 0.493 252 HB3 SER 34 2HB SER 34 -14.038 -5.073 -0.429 253 HG SER 34 HG SER 34 -14.083 -7.262 0.386 254 H ASN 35 H ASN 35 -12.880 -7.603 -2.776 255 HA ASN 35 HA ASN 35 -13.273 -6.713 -5.456 256 HB2 ASN 35 1HB ASN 35 -13.944 -9.333 -4.051 257 HB3 ASN 35 2HB ASN 35 -14.044 -9.103 -5.791 258 HD21 ASN 35 1HD2 ASN 35 -12.474 -11.116 -4.938 259 HD22 ASN 35 2HD2 ASN 35 -10.787 -10.680 -5.172 260 H ILE 36 H ILE 36 -15.432 -6.156 -3.015 261 HA ILE 36 HA ILE 36 -17.938 -6.588 -4.395 262 HB ILE 36 HB ILE 36 -17.610 -6.537 -1.926 263 HG12 ILE 36 1HG1 ILE 36 -19.666 -4.501 -2.856 264 HG13 ILE 36 2HG1 ILE 36 -19.833 -6.251 -3.049 265 HG21 ILE 36 1HG2 ILE 36 -17.446 -3.502 -2.198 266 HG22 ILE 36 2HG2 ILE 36 -17.393 -4.453 -0.702 267 HG23 ILE 36 3HG2 ILE 36 -16.057 -4.549 -1.847 268 HD11 ILE 36 3HD1 ILE 36 -19.683 -6.515 -0.566 269 HD12 ILE 36 1HD1 ILE 36 -19.656 -4.740 -0.409 270 HD13 ILE 36 2HD1 ILE 36 -21.072 -5.547 -1.099 271 H LEU 37 H LEU 37 -15.520 -4.188 -4.686 272 HA LEU 37 HA LEU 37 -17.206 -1.997 -5.556 273 HB2 LEU 37 1HB LEU 37 -15.204 -0.771 -5.911 274 HB3 LEU 37 2HB LEU 37 -15.066 -1.685 -4.428 275 HG LEU 37 HG LEU 37 -13.718 -3.420 -5.926 276 HD11 LEU 37 1HD1 LEU 37 -12.388 -2.292 -7.679 277 HD12 LEU 37 2HD1 LEU 37 -13.367 -0.821 -7.496 278 HD13 LEU 37 3HD1 LEU 37 -14.093 -2.313 -8.120 279 HD21 LEU 37 3HD2 LEU 37 -12.591 -0.694 -5.142 280 HD22 LEU 37 1HD2 LEU 37 -11.657 -2.192 -5.387 281 HD23 LEU 37 2HD2 LEU 37 -12.817 -2.082 -4.056 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 15.399 4.653 -10.733 2 H2 GLY 1 2H GLY 1 16.910 4.593 -11.362 3 H3 GLY 1 3H GLY 1 16.559 3.768 -9.989 4 HA2 GLY 1 1HA GLY 1 15.421 3.208 -12.651 5 HA3 GLY 1 2HA GLY 1 16.698 2.259 -11.867 6 H SER 2 H SER 2 13.875 1.583 -12.740 7 HA SER 2 HA SER 2 12.108 1.390 -10.573 8 HB2 SER 2 1HB SER 2 12.250 -0.426 -13.004 9 HB3 SER 2 2HB SER 2 10.828 -0.115 -11.987 10 HG SER 2 HG SER 2 10.829 1.174 -13.893 11 H SER 3 H SER 3 14.854 -0.662 -11.141 12 HA SER 3 HA SER 3 13.924 -2.946 -9.576 13 HB2 SER 3 1HB SER 3 16.293 -3.683 -9.849 14 HB3 SER 3 2HB SER 3 15.476 -3.310 -11.376 15 HG SER 3 HG SER 3 17.594 -2.391 -11.252 16 H GLY 4 H GLY 4 15.013 0.153 -8.675 17 HA2 GLY 4 1HA GLY 4 16.501 -0.545 -6.263 18 HA3 GLY 4 2HA GLY 4 15.961 1.049 -6.773 19 H SER 5 H SER 5 15.638 1.218 -4.435 20 HA SER 5 HA SER 5 14.384 1.438 -2.582 21 HB2 SER 5 1HB SER 5 12.048 1.321 -4.504 22 HB3 SER 5 2HB SER 5 12.048 2.029 -2.879 23 HG SER 5 HG SER 5 12.386 3.601 -4.532 24 H SER 6 H SER 6 15.040 -1.383 -3.159 25 HA SER 6 HA SER 6 12.932 -3.116 -2.361 26 HB2 SER 6 1HB SER 6 15.904 -3.401 -1.771 27 HB3 SER 6 2HB SER 6 14.699 -4.700 -1.773 28 HG SER 6 HG SER 6 14.402 -4.357 -4.007 29 H GLY 7 H GLY 7 11.916 -3.446 -0.481 30 HA2 GLY 7 1HA GLY 7 11.489 -3.592 1.782 31 HA3 GLY 7 2HA GLY 7 13.152 -3.127 2.141 32 H HIS 8 H HIS 8 11.667 -0.837 0.074 33 HA HIS 8 HA HIS 8 11.397 1.149 2.235 34 HB2 HIS 8 1HB HIS 8 12.581 1.498 0.015 35 HB3 HIS 8 2HB HIS 8 10.991 1.453 -0.753 36 HD1 HIS 8 1HD HIS 8 12.684 3.544 2.090 37 HD2 HIS 8 2HD HIS 8 9.918 3.782 -1.072 38 HE1 HIS 8 1HE HIS 8 11.916 5.972 1.998 39 H LEU 9 H LEU 9 9.452 2.791 1.570 40 HA LEU 9 HA LEU 9 6.890 1.568 2.139 41 HB2 LEU 9 1HB LEU 9 7.729 4.304 1.073 42 HB3 LEU 9 2HB LEU 9 6.063 3.860 1.351 43 HG LEU 9 HG LEU 9 6.885 5.266 3.113 44 HD11 LEU 9 1HD1 LEU 9 6.157 3.996 5.034 45 HD12 LEU 9 2HD1 LEU 9 6.453 2.466 4.193 46 HD13 LEU 9 3HD1 LEU 9 5.166 3.567 3.629 47 HD21 LEU 9 3HD2 LEU 9 9.282 4.586 3.118 48 HD22 LEU 9 1HD2 LEU 9 8.823 3.081 3.958 49 HD23 LEU 9 2HD2 LEU 9 8.548 4.651 4.728 50 H TYR 10 H TYR 10 5.521 0.605 0.760 51 HA TYR 10 HA TYR 10 5.873 0.916 -2.196 52 HB2 TYR 10 1HB TYR 10 4.614 -1.347 -0.627 53 HB3 TYR 10 2HB TYR 10 4.764 -1.262 -2.375 54 HD1 TYR 10 2HD TYR 10 7.796 -0.180 -2.263 55 HD2 TYR 10 1HD TYR 10 5.655 -3.491 -0.513 56 HE1 TYR 10 2HE TYR 10 9.898 -1.493 -2.168 57 HE2 TYR 10 1HE TYR 10 7.772 -4.812 -0.439 58 HH TYR 10 HH TYR 10 9.987 -4.861 -0.940 59 H TYR 11 H TYR 11 4.132 1.440 -3.451 60 HA TYR 11 HA TYR 11 1.930 2.783 -2.012 61 HB2 TYR 11 1HB TYR 11 3.086 3.054 -4.788 62 HB3 TYR 11 2HB TYR 11 1.535 3.749 -4.358 63 HD1 TYR 11 2HD TYR 11 5.175 3.820 -3.454 64 HD2 TYR 11 1HD TYR 11 1.335 5.769 -3.137 65 HE1 TYR 11 2HE TYR 11 6.269 5.815 -2.450 66 HE2 TYR 11 1HE TYR 11 2.435 7.772 -2.150 67 HH TYR 11 HH TYR 11 5.978 7.922 -1.599 68 H CYS 12 H CYS 12 -0.184 2.593 -2.428 69 HA CYS 12 HA CYS 12 -1.342 0.085 -3.015 70 HB2 CYS 12 1HB CYS 12 -2.241 1.803 -1.537 71 HB3 CYS 12 2HB CYS 12 -2.446 2.912 -2.900 72 H SER 13 H SER 13 -2.756 -0.543 -4.664 73 HA SER 13 HA SER 13 -1.917 0.189 -7.391 74 HB2 SER 13 1HB SER 13 -3.301 -1.750 -8.048 75 HB3 SER 13 2HB SER 13 -2.065 -2.157 -6.846 76 HG SER 13 HG SER 13 -4.101 -3.069 -6.318 77 H GLN 14 H GLN 14 -4.423 1.147 -5.249 78 HA GLN 14 HA GLN 14 -6.074 2.186 -7.536 79 HB2 GLN 14 1HB GLN 14 -7.045 0.944 -4.941 80 HB3 GLN 14 2HB GLN 14 -8.068 1.751 -6.140 81 HG2 GLN 14 1HG GLN 14 -7.261 0.070 -7.856 82 HG3 GLN 14 2HG GLN 14 -6.446 -0.791 -6.548 83 HE21 GLN 14 1HE2 GLN 14 -7.888 -2.590 -7.390 84 HE22 GLN 14 2HE2 GLN 14 -9.522 -2.664 -6.743 85 H CYS 15 H CYS 15 -4.390 3.171 -4.695 86 HA CYS 15 HA CYS 15 -5.423 5.883 -5.081 87 HB2 CYS 15 1HB CYS 15 -6.108 6.281 -2.830 88 HB3 CYS 15 2HB CYS 15 -6.989 4.892 -3.436 89 H HIS 16 H HIS 16 -4.289 7.249 -3.093 90 HA HIS 16 HA HIS 16 -1.456 7.151 -3.848 91 HB2 HIS 16 1HB HIS 16 -2.935 9.199 -3.929 92 HB3 HIS 16 2HB HIS 16 -2.918 9.210 -2.166 93 HD1 HIS 16 1HD HIS 16 -0.951 10.644 -1.176 94 HD2 HIS 16 2HD HIS 16 -0.308 9.279 -5.105 95 HE1 HIS 16 1HE HIS 16 1.244 11.691 -1.944 96 H TYR 17 H TYR 17 -3.058 5.599 -1.395 97 HA TYR 17 HA TYR 17 -1.466 6.092 0.927 98 HB2 TYR 17 1HB TYR 17 -3.627 4.943 0.959 99 HB3 TYR 17 2HB TYR 17 -2.972 3.630 -0.012 100 HD1 TYR 17 1HD TYR 17 -3.053 5.148 3.358 101 HD2 TYR 17 2HD TYR 17 -1.525 1.911 0.945 102 HE1 TYR 17 1HE TYR 17 -2.432 3.900 5.420 103 HE2 TYR 17 2HE TYR 17 -0.888 0.676 3.011 104 HH TYR 17 HH TYR 17 -1.528 1.987 6.287 105 H SER 18 H SER 18 0.297 4.991 1.830 106 HA SER 18 HA SER 18 1.519 2.775 0.388 107 HB2 SER 18 1HB SER 18 3.787 3.685 0.400 108 HB3 SER 18 2HB SER 18 2.708 4.678 -0.586 109 HG SER 18 HG SER 18 3.974 6.012 0.722 110 H SER 19 H SER 19 2.814 1.426 1.609 111 HA SER 19 HA SER 19 3.455 2.070 4.398 112 HB2 SER 19 1HB SER 19 2.435 0.056 5.336 113 HB3 SER 19 2HB SER 19 1.226 1.156 4.666 114 HG SER 19 HG SER 19 0.792 -0.965 4.046 115 H ILE 20 H ILE 20 4.881 0.414 5.402 116 HA ILE 20 HA ILE 20 6.882 -0.399 3.448 117 HB ILE 20 HB ILE 20 7.529 0.671 5.521 118 HG12 ILE 20 1HG1 ILE 20 8.614 -2.170 5.338 119 HG13 ILE 20 2HG1 ILE 20 9.038 -0.851 4.242 120 HG21 ILE 20 1HG2 ILE 20 5.802 -0.352 7.048 121 HG22 ILE 20 2HG2 ILE 20 6.728 -1.865 7.011 122 HG23 ILE 20 3HG2 ILE 20 7.439 -0.391 7.693 123 HD11 ILE 20 3HD1 ILE 20 9.936 0.452 6.176 124 HD12 ILE 20 1HD1 ILE 20 9.615 -0.949 7.232 125 HD13 ILE 20 2HD1 ILE 20 10.776 -1.088 5.906 126 H THR 21 H THR 21 7.327 -2.299 2.684 127 HA THR 21 HA THR 21 7.060 -4.292 1.839 128 HB THR 21 HB THR 21 8.106 -5.022 3.884 129 HG1 THR 21 1HG THR 21 7.698 -7.142 3.448 130 HG21 THR 21 3HG2 THR 21 5.288 -5.696 4.824 131 HG22 THR 21 1HG2 THR 21 6.547 -4.774 5.678 132 HG23 THR 21 2HG2 THR 21 6.749 -6.505 5.434 133 H LYS 22 H LYS 22 5.798 -5.978 1.029 134 HA LYS 22 HA LYS 22 3.116 -5.115 0.369 135 HB2 LYS 22 1HB LYS 22 4.516 -7.765 -0.164 136 HB3 LYS 22 2HB LYS 22 2.972 -7.254 -0.866 137 HG2 LYS 22 1HG LYS 22 4.117 -5.255 -1.862 138 HG3 LYS 22 2HG LYS 22 5.666 -5.900 -1.305 139 HD2 LYS 22 1HD LYS 22 3.765 -7.295 -3.236 140 HD3 LYS 22 2HD LYS 22 5.210 -6.383 -3.689 141 HE2 LYS 22 1HE LYS 22 6.617 -7.957 -2.360 142 HE3 LYS 22 2HE LYS 22 5.174 -8.897 -1.959 143 HZ1 LYS 22 3HZ LYS 22 6.344 -9.847 -3.861 144 HZ2 LYS 22 1HZ LYS 22 6.212 -8.463 -4.710 145 HZ3 LYS 22 2HZ LYS 22 4.875 -9.327 -4.342 146 H ASN 23 H ASN 23 4.353 -7.305 2.810 147 HA ASN 23 HA ASN 23 1.898 -8.622 3.465 148 HB2 ASN 23 1HB ASN 23 4.199 -9.353 4.139 149 HB3 ASN 23 2HB ASN 23 4.290 -7.987 5.255 150 HD21 ASN 23 2HD2 ASN 23 2.685 -11.100 4.612 151 HD22 ASN 23 1HD2 ASN 23 2.044 -11.263 6.239 152 H CYS 24 H CYS 24 2.991 -5.349 4.237 153 HA CYS 24 HA CYS 24 0.718 -4.948 6.111 154 HB2 CYS 24 1HB CYS 24 3.052 -3.962 6.482 155 HB3 CYS 24 2HB CYS 24 2.701 -2.875 5.126 156 HG CYS 24 HG CYS 24 0.365 -2.019 6.164 157 H LEU 25 H LEU 25 1.857 -3.800 2.881 158 HA LEU 25 HA LEU 25 -0.266 -2.131 2.319 159 HB2 LEU 25 1HB LEU 25 1.899 -2.302 1.098 160 HB3 LEU 25 2HB LEU 25 1.344 -3.819 0.382 161 HG LEU 25 HG LEU 25 -0.506 -2.608 -0.760 162 HD11 LEU 25 1HD1 LEU 25 -0.389 -0.113 -0.878 163 HD12 LEU 25 2HD1 LEU 25 0.818 -0.127 0.425 164 HD13 LEU 25 3HD1 LEU 25 -0.843 -0.689 0.723 165 HD21 LEU 25 3HD2 LEU 25 1.699 -2.998 -1.836 166 HD22 LEU 25 1HD2 LEU 25 2.231 -1.396 -1.270 167 HD23 LEU 25 2HD2 LEU 25 0.885 -1.542 -2.423 168 H LYS 26 H LYS 26 -0.122 -5.654 1.730 169 HA LYS 26 HA LYS 26 -2.562 -5.950 0.315 170 HB2 LYS 26 1HB LYS 26 -0.817 -7.684 0.579 171 HB3 LYS 26 2HB LYS 26 -1.195 -7.827 2.294 172 HG2 LYS 26 1HG LYS 26 -2.125 -9.668 1.001 173 HG3 LYS 26 2HG LYS 26 -3.406 -8.741 1.776 174 HD2 LYS 26 1HD LYS 26 -4.018 -7.687 -0.339 175 HD3 LYS 26 2HD LYS 26 -2.583 -8.370 -1.139 176 HE2 LYS 26 1HE LYS 26 -3.437 -10.655 -0.735 177 HE3 LYS 26 2HE LYS 26 -4.864 -9.997 0.075 178 HZ1 LYS 26 3HZ LYS 26 -5.577 -9.014 -1.991 179 HZ2 LYS 26 1HZ LYS 26 -5.237 -10.576 -2.296 180 HZ3 LYS 26 2HZ LYS 26 -4.180 -9.424 -2.762 181 H ARG 27 H ARG 27 -2.066 -5.431 3.775 182 HA ARG 27 HA ARG 27 -4.751 -6.164 4.619 183 HB2 ARG 27 1HB ARG 27 -2.889 -4.213 6.032 184 HB3 ARG 27 2HB ARG 27 -4.184 -5.180 6.734 185 HG2 ARG 27 1HG ARG 27 -2.875 -7.258 6.288 186 HG3 ARG 27 2HG ARG 27 -1.591 -6.276 5.563 187 HD2 ARG 27 1HD ARG 27 -1.444 -5.014 7.772 188 HD3 ARG 27 2HD ARG 27 -2.493 -6.275 8.451 189 HE ARG 27 HE ARG 27 -0.118 -7.280 7.031 190 HH11 ARG 27 2HH1 ARG 27 -1.210 -6.164 10.176 191 HH12 ARG 27 1HH1 ARG 27 0.098 -6.954 11.011 192 HH21 ARG 27 2HH2 ARG 27 1.540 -8.264 8.172 193 HH22 ARG 27 1HH2 ARG 27 1.594 -8.107 9.905 194 H HIS 28 H HIS 28 -3.245 -3.071 3.658 195 HA HIS 28 HA HIS 28 -5.599 -1.434 3.951 196 HB2 HIS 28 1HB HIS 28 -3.495 -0.352 3.704 197 HB3 HIS 28 2HB HIS 28 -3.103 -1.229 2.233 198 HD1 HIS 28 1HD HIS 28 -5.064 1.816 3.375 199 HD2 HIS 28 2HD HIS 28 -4.242 -0.431 -0.079 200 HE1 HIS 28 1HE HIS 28 -5.887 3.218 1.430 201 H VAL 29 H VAL 29 -4.374 -3.368 1.158 202 HA VAL 29 HA VAL 29 -6.549 -2.660 -0.579 203 HB VAL 29 HB VAL 29 -4.713 -5.071 -0.662 204 HG11 VAL 29 1HG1 VAL 29 -5.290 -5.125 -3.091 205 HG12 VAL 29 2HG1 VAL 29 -6.674 -5.508 -2.068 206 HG13 VAL 29 3HG1 VAL 29 -6.535 -3.890 -2.802 207 HG21 VAL 29 3HG2 VAL 29 -3.490 -3.766 -2.365 208 HG22 VAL 29 1HG2 VAL 29 -4.608 -2.403 -2.152 209 HG23 VAL 29 2HG2 VAL 29 -3.517 -2.884 -0.841 210 H ILE 30 H ILE 30 -6.234 -5.373 1.724 211 HA ILE 30 HA ILE 30 -8.767 -6.592 1.185 212 HB ILE 30 HB ILE 30 -6.968 -6.526 3.616 213 HG12 ILE 30 1HG1 ILE 30 -7.693 -8.846 1.784 214 HG13 ILE 30 2HG1 ILE 30 -6.358 -7.771 1.416 215 HG21 ILE 30 1HG2 ILE 30 -9.227 -6.877 4.514 216 HG22 ILE 30 2HG2 ILE 30 -9.547 -8.127 3.289 217 HG23 ILE 30 3HG2 ILE 30 -8.343 -8.387 4.567 218 HD11 ILE 30 3HD1 ILE 30 -6.582 -9.549 3.880 219 HD12 ILE 30 1HD1 ILE 30 -5.505 -9.753 2.498 220 HD13 ILE 30 2HD1 ILE 30 -5.279 -8.373 3.588 221 H GLN 31 H GLN 31 -7.910 -3.963 3.468 222 HA GLN 31 HA GLN 31 -10.611 -3.865 4.544 223 HB2 GLN 31 1HB GLN 31 -8.107 -2.205 4.979 224 HB3 GLN 31 2HB GLN 31 -9.622 -1.922 5.845 225 HG2 GLN 31 1HG GLN 31 -9.583 -4.147 6.822 226 HG3 GLN 31 2HG GLN 31 -8.167 -4.603 5.882 227 HE21 GLN 31 1HE2 GLN 31 -7.604 -5.108 8.329 228 HE22 GLN 31 2HE2 GLN 31 -6.734 -3.812 9.138 229 H LYS 32 H LYS 32 -8.844 -1.808 2.231 230 HA LYS 32 HA LYS 32 -11.082 0.177 2.251 231 HB2 LYS 32 1HB LYS 32 -8.226 0.483 1.261 232 HB3 LYS 32 2HB LYS 32 -9.421 1.760 1.431 233 HG2 LYS 32 1HG LYS 32 -8.127 0.191 3.703 234 HG3 LYS 32 2HG LYS 32 -7.800 1.856 3.233 235 HD2 LYS 32 1HD LYS 32 -10.137 2.490 3.817 236 HD3 LYS 32 2HD LYS 32 -10.441 0.824 4.359 237 HE2 LYS 32 1HE LYS 32 -8.610 1.019 6.017 238 HE3 LYS 32 2HE LYS 32 -8.296 2.675 5.483 239 HZ1 LYS 32 3HZ LYS 32 -10.545 3.269 6.211 240 HZ2 LYS 32 1HZ LYS 32 -9.708 2.637 7.457 241 HZ3 LYS 32 2HZ LYS 32 -10.841 1.740 6.702 242 H HIS 33 H HIS 33 -9.954 -2.265 0.168 243 HA HIS 33 HA HIS 33 -11.307 -0.986 -2.173 244 HB2 HIS 33 1HB HIS 33 -8.628 -2.423 -2.173 245 HB3 HIS 33 2HB HIS 33 -9.493 -1.890 -3.607 246 HD1 HIS 33 1HD HIS 33 -10.074 0.978 -3.441 247 HD2 HIS 33 2HD HIS 33 -6.833 -0.716 -1.378 248 HE1 HIS 33 1HE HIS 33 -8.547 2.917 -2.852 249 H SER 34 H SER 34 -11.592 -2.630 -3.984 250 HA SER 34 HA SER 34 -13.493 -4.500 -3.008 251 HB2 SER 34 1HB SER 34 -12.551 -4.100 -5.862 252 HB3 SER 34 2HB SER 34 -14.087 -4.816 -5.327 253 HG SER 34 HG SER 34 -14.325 -2.608 -5.908 254 H ASN 35 H ASN 35 -10.939 -5.411 -2.135 255 HA ASN 35 HA ASN 35 -10.052 -7.775 -3.559 256 HB2 ASN 35 1HB ASN 35 -8.816 -6.390 -1.825 257 HB3 ASN 35 2HB ASN 35 -9.891 -7.055 -0.599 258 HD21 ASN 35 1HD2 ASN 35 -9.823 -9.572 -0.424 259 HD22 ASN 35 2HD2 ASN 35 -8.243 -10.281 -0.671 260 H ILE 36 H ILE 36 -12.643 -7.083 -1.296 261 HA ILE 36 HA ILE 36 -13.703 -9.853 -1.532 262 HB ILE 36 HB ILE 36 -14.655 -9.669 0.717 263 HG12 ILE 36 1HG1 ILE 36 -12.921 -7.175 1.065 264 HG13 ILE 36 2HG1 ILE 36 -14.682 -7.192 0.942 265 HG21 ILE 36 1HG2 ILE 36 -12.460 -10.813 0.225 266 HG22 ILE 36 2HG2 ILE 36 -11.630 -9.352 0.817 267 HG23 ILE 36 3HG2 ILE 36 -12.664 -10.304 1.901 268 HD11 ILE 36 3HD1 ILE 36 -13.029 -8.403 3.190 269 HD12 ILE 36 1HD1 ILE 36 -14.083 -6.983 3.258 270 HD13 ILE 36 2HD1 ILE 36 -14.794 -8.591 3.015 271 H LEU 37 H LEU 37 -15.977 -10.030 -1.503 272 HA LEU 37 HA LEU 37 -17.575 -7.602 -2.156 273 HB2 LEU 37 1HB LEU 37 -17.374 -10.151 -3.818 274 HB3 LEU 37 2HB LEU 37 -18.588 -8.907 -4.056 275 HG LEU 37 HG LEU 37 -15.587 -8.474 -4.405 276 HD11 LEU 37 1HD1 LEU 37 -16.106 -8.452 -6.804 277 HD12 LEU 37 2HD1 LEU 37 -17.809 -8.831 -6.457 278 HD13 LEU 37 3HD1 LEU 37 -16.532 -10.010 -6.080 279 HD21 LEU 37 3HD2 LEU 37 -16.286 -6.384 -5.544 280 HD22 LEU 37 1HD2 LEU 37 -16.768 -6.375 -3.845 281 HD23 LEU 37 2HD2 LEU 37 -17.979 -6.705 -5.102 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 18.716 -3.667 -3.375 2 H2 GLY 1 2H GLY 1 18.876 -4.664 -2.085 3 H3 GLY 1 3H GLY 1 19.220 -3.069 -1.937 4 HA2 GLY 1 1HA GLY 1 16.552 -4.210 -2.466 5 HA3 GLY 1 2HA GLY 1 17.096 -3.543 -0.915 6 H SER 2 H SER 2 15.434 -2.014 -0.920 7 HA SER 2 HA SER 2 15.686 0.276 -2.845 8 HB2 SER 2 1HB SER 2 13.161 -0.872 -1.603 9 HB3 SER 2 2HB SER 2 13.254 0.591 -2.600 10 HG SER 2 HG SER 2 12.666 -1.254 -3.836 11 H SER 3 H SER 3 15.218 2.364 -2.064 12 HA SER 3 HA SER 3 16.295 2.939 0.491 13 HB2 SER 3 1HB SER 3 14.681 4.755 -1.335 14 HB3 SER 3 2HB SER 3 15.748 5.270 -0.013 15 HG SER 3 HG SER 3 16.803 5.354 -2.056 16 H GLY 4 H GLY 4 15.474 3.746 2.379 17 HA2 GLY 4 1HA GLY 4 12.932 4.682 3.008 18 HA3 GLY 4 2HA GLY 4 12.848 2.939 3.260 19 H SER 5 H SER 5 12.421 4.549 5.409 20 HA SER 5 HA SER 5 14.854 5.179 6.871 21 HB2 SER 5 1HB SER 5 13.251 5.854 8.655 22 HB3 SER 5 2HB SER 5 12.969 6.626 7.084 23 HG SER 5 HG SER 5 11.021 5.847 8.042 24 H SER 6 H SER 6 12.462 2.562 7.082 25 HA SER 6 HA SER 6 14.261 1.077 8.964 26 HB2 SER 6 1HB SER 6 12.266 0.282 10.141 27 HB3 SER 6 2HB SER 6 12.386 2.049 10.187 28 HG SER 6 HG SER 6 10.265 1.361 9.672 29 H GLY 7 H GLY 7 12.791 0.943 5.943 30 HA2 GLY 7 1HA GLY 7 13.670 -1.567 5.155 31 HA3 GLY 7 2HA GLY 7 12.033 -1.833 5.762 32 H HIS 8 H HIS 8 11.789 -2.476 3.389 33 HA HIS 8 HA HIS 8 11.848 -0.423 1.348 34 HB2 HIS 8 1HB HIS 8 10.570 -3.172 1.409 35 HB3 HIS 8 2HB HIS 8 10.690 -2.155 -0.023 36 HD1 HIS 8 1HD HIS 8 11.928 -4.825 -0.414 37 HD2 HIS 8 2HD HIS 8 13.995 -1.639 1.396 38 HE1 HIS 8 1HE HIS 8 14.414 -5.346 -0.673 39 H LEU 9 H LEU 9 10.283 0.820 0.493 40 HA LEU 9 HA LEU 9 7.581 0.858 1.740 41 HB2 LEU 9 1HB LEU 9 9.162 2.895 0.140 42 HB3 LEU 9 2HB LEU 9 7.428 3.020 0.322 43 HG LEU 9 HG LEU 9 8.547 4.487 1.849 44 HD11 LEU 9 1HD1 LEU 9 7.254 2.242 3.436 45 HD12 LEU 9 2HD1 LEU 9 6.370 3.476 2.511 46 HD13 LEU 9 3HD1 LEU 9 7.380 3.950 3.889 47 HD21 LEU 9 3HD2 LEU 9 9.706 2.079 3.292 48 HD22 LEU 9 1HD2 LEU 9 9.883 3.790 3.720 49 HD23 LEU 9 2HD2 LEU 9 10.624 3.171 2.232 50 H TYR 10 H TYR 10 5.757 0.631 0.615 51 HA TYR 10 HA TYR 10 5.800 -0.048 -2.285 52 HB2 TYR 10 1HB TYR 10 4.357 -1.608 -0.103 53 HB3 TYR 10 2HB TYR 10 4.232 -1.889 -1.836 54 HD1 TYR 10 1HD TYR 10 6.452 -2.198 1.112 55 HD2 TYR 10 2HD TYR 10 5.974 -3.021 -3.094 56 HE1 TYR 10 1HE TYR 10 8.415 -3.740 1.180 57 HE2 TYR 10 2HE TYR 10 7.933 -4.556 -3.019 58 HH TYR 10 HH TYR 10 9.569 -5.489 -1.721 59 H TYR 11 H TYR 11 3.733 0.281 -3.347 60 HA TYR 11 HA TYR 11 2.054 2.361 -1.997 61 HB2 TYR 11 1HB TYR 11 3.070 2.471 -4.845 62 HB3 TYR 11 2HB TYR 11 2.221 3.727 -3.954 63 HD1 TYR 11 2HD TYR 11 3.382 4.728 -1.875 64 HD2 TYR 11 1HD TYR 11 5.455 2.332 -4.798 65 HE1 TYR 11 2HE TYR 11 5.570 5.582 -1.027 66 HE2 TYR 11 1HE TYR 11 7.636 3.179 -3.952 67 HH TYR 11 HH TYR 11 8.695 4.551 -2.453 68 H CYS 12 H CYS 12 -0.069 2.530 -2.522 69 HA CYS 12 HA CYS 12 -1.424 0.191 -3.488 70 HB2 CYS 12 1HB CYS 12 -2.172 1.740 -1.703 71 HB3 CYS 12 2HB CYS 12 -2.459 2.987 -2.926 72 H SER 13 H SER 13 -2.793 -0.055 -5.208 73 HA SER 13 HA SER 13 -2.110 1.431 -7.713 74 HB2 SER 13 1HB SER 13 -3.406 -1.283 -7.306 75 HB3 SER 13 2HB SER 13 -3.117 -0.509 -8.876 76 HG SER 13 HG SER 13 -1.437 -1.968 -8.311 77 H GLN 14 H GLN 14 -4.590 1.232 -5.375 78 HA GLN 14 HA GLN 14 -6.698 2.189 -7.288 79 HB2 GLN 14 1HB GLN 14 -6.844 0.711 -4.644 80 HB3 GLN 14 2HB GLN 14 -8.224 1.549 -5.338 81 HG2 GLN 14 1HG GLN 14 -8.438 -0.733 -5.934 82 HG3 GLN 14 2HG GLN 14 -8.045 0.165 -7.399 83 HE21 GLN 14 1HE2 GLN 14 -6.375 -1.709 -4.760 84 HE22 GLN 14 2HE2 GLN 14 -5.256 -2.483 -5.869 85 H CYS 15 H CYS 15 -4.702 3.241 -4.651 86 HA CYS 15 HA CYS 15 -5.863 5.913 -4.825 87 HB2 CYS 15 1HB CYS 15 -6.295 6.205 -2.482 88 HB3 CYS 15 2HB CYS 15 -7.218 4.831 -3.060 89 H HIS 16 H HIS 16 -4.525 7.189 -2.856 90 HA HIS 16 HA HIS 16 -1.763 7.132 -3.879 91 HB2 HIS 16 1HB HIS 16 -3.194 9.165 -2.139 92 HB3 HIS 16 2HB HIS 16 -1.595 9.359 -2.854 93 HD1 HIS 16 1HD HIS 16 -1.604 9.340 -5.694 94 HD2 HIS 16 2HD HIS 16 -5.213 9.974 -3.621 95 HE1 HIS 16 1HE HIS 16 -3.227 10.355 -7.379 96 H TYR 17 H TYR 17 -3.027 5.354 -1.511 97 HA TYR 17 HA TYR 17 -1.537 5.970 0.824 98 HB2 TYR 17 1HB TYR 17 -3.531 4.631 0.882 99 HB3 TYR 17 2HB TYR 17 -2.812 3.419 -0.170 100 HD1 TYR 17 1HD TYR 17 -2.502 4.967 3.233 101 HD2 TYR 17 2HD TYR 17 -1.638 1.574 0.710 102 HE1 TYR 17 1HE TYR 17 -1.702 3.690 5.217 103 HE2 TYR 17 2HE TYR 17 -0.897 0.284 2.707 104 HH TYR 17 HH TYR 17 -0.846 1.705 5.989 105 H SER 18 H SER 18 0.236 5.146 1.778 106 HA SER 18 HA SER 18 2.235 3.583 0.195 107 HB2 SER 18 1HB SER 18 2.842 5.858 2.118 108 HB3 SER 18 2HB SER 18 4.004 4.936 1.150 109 HG SER 18 HG SER 18 3.421 7.033 0.277 110 H SER 19 H SER 19 3.294 1.980 1.327 111 HA SER 19 HA SER 19 2.810 1.700 4.264 112 HB2 SER 19 1HB SER 19 1.270 0.338 2.502 113 HB3 SER 19 2HB SER 19 2.656 -0.753 2.555 114 HG SER 19 HG SER 19 0.971 0.118 4.673 115 H ILE 20 H ILE 20 4.336 0.516 5.406 116 HA ILE 20 HA ILE 20 6.911 -0.026 4.023 117 HB ILE 20 HB ILE 20 6.829 1.541 5.927 118 HG12 ILE 20 1HG1 ILE 20 8.919 0.598 5.201 119 HG13 ILE 20 2HG1 ILE 20 8.876 0.940 6.919 120 HG21 ILE 20 1HG2 ILE 20 5.232 0.452 7.409 121 HG22 ILE 20 2HG2 ILE 20 6.368 -0.875 7.707 122 HG23 ILE 20 3HG2 ILE 20 6.767 0.770 8.226 123 HD11 ILE 20 3HD1 ILE 20 8.497 -1.564 7.314 124 HD12 ILE 20 1HD1 ILE 20 8.878 -1.779 5.587 125 HD13 ILE 20 2HD1 ILE 20 10.070 -1.078 6.681 126 H THR 21 H THR 21 7.488 -1.990 3.563 127 HA THR 21 HA THR 21 7.398 -4.174 3.112 128 HB THR 21 HB THR 21 6.056 -4.756 5.752 129 HG1 THR 21 1HG THR 21 8.157 -4.959 6.514 130 HG21 THR 21 3HG2 THR 21 6.202 -6.695 4.184 131 HG22 THR 21 1HG2 THR 21 7.301 -6.887 5.547 132 HG23 THR 21 2HG2 THR 21 7.938 -6.383 3.966 133 H LYS 22 H LYS 22 6.203 -5.516 1.854 134 HA LYS 22 HA LYS 22 3.776 -4.377 0.905 135 HB2 LYS 22 1HB LYS 22 5.573 -5.521 -0.412 136 HB3 LYS 22 2HB LYS 22 4.956 -7.079 0.159 137 HG2 LYS 22 1HG LYS 22 2.794 -6.634 -0.951 138 HG3 LYS 22 2HG LYS 22 3.340 -5.005 -1.398 139 HD2 LYS 22 1HD LYS 22 5.148 -5.995 -2.782 140 HD3 LYS 22 2HD LYS 22 4.596 -7.625 -2.333 141 HE2 LYS 22 1HE LYS 22 2.375 -7.144 -3.347 142 HE3 LYS 22 2HE LYS 22 2.928 -5.524 -3.797 143 HZ1 LYS 22 3HZ LYS 22 4.108 -8.064 -4.798 144 HZ2 LYS 22 1HZ LYS 22 4.620 -6.568 -5.213 145 HZ3 LYS 22 2HZ LYS 22 3.135 -7.075 -5.655 146 H ASN 23 H ASN 23 4.149 -6.909 3.283 147 HA ASN 23 HA ASN 23 1.539 -8.083 3.009 148 HB2 ASN 23 1HB ASN 23 1.881 -8.961 5.236 149 HB3 ASN 23 2HB ASN 23 3.327 -9.181 4.263 150 HD21 ASN 23 1HD2 ASN 23 3.392 -9.409 7.053 151 HD22 ASN 23 2HD2 ASN 23 4.328 -8.057 7.675 152 H CYS 24 H CYS 24 2.628 -5.202 4.863 153 HA CYS 24 HA CYS 24 0.057 -4.586 5.980 154 HB2 CYS 24 1HB CYS 24 2.481 -2.858 5.327 155 HB3 CYS 24 2HB CYS 24 1.079 -2.308 6.262 156 HG CYS 24 HG CYS 24 3.182 -2.894 7.807 157 H LEU 25 H LEU 25 1.555 -3.652 2.842 158 HA LEU 25 HA LEU 25 -0.587 -2.070 1.968 159 HB2 LEU 25 1HB LEU 25 1.627 -2.021 0.919 160 HB3 LEU 25 2HB LEU 25 1.420 -3.681 0.360 161 HG LEU 25 HG LEU 25 -0.479 -2.981 -1.078 162 HD11 LEU 25 1HD1 LEU 25 -1.291 -0.999 0.150 163 HD12 LEU 25 2HD1 LEU 25 -0.846 -0.569 -1.493 164 HD13 LEU 25 3HD1 LEU 25 0.251 -0.159 -0.158 165 HD21 LEU 25 3HD2 LEU 25 1.873 -3.033 -1.899 166 HD22 LEU 25 1HD2 LEU 25 2.001 -1.299 -1.510 167 HD23 LEU 25 2HD2 LEU 25 0.850 -1.859 -2.743 168 H LYS 26 H LYS 26 -0.030 -5.610 1.558 169 HA LYS 26 HA LYS 26 -2.432 -6.145 0.077 170 HB2 LYS 26 1HB LYS 26 -0.839 -7.877 2.015 171 HB3 LYS 26 2HB LYS 26 -2.210 -8.481 1.106 172 HG2 LYS 26 1HG LYS 26 0.347 -7.345 -0.110 173 HG3 LYS 26 2HG LYS 26 -0.034 -9.050 0.071 174 HD2 LYS 26 1HD LYS 26 -1.496 -7.058 -1.718 175 HD3 LYS 26 2HD LYS 26 -0.366 -8.314 -2.221 176 HE2 LYS 26 1HE LYS 26 -1.912 -10.055 -1.288 177 HE3 LYS 26 2HE LYS 26 -3.076 -8.783 -0.897 178 HZ1 LYS 26 3HZ LYS 26 -3.183 -8.249 -3.280 179 HZ2 LYS 26 1HZ LYS 26 -3.583 -9.811 -3.034 180 HZ3 LYS 26 2HZ LYS 26 -2.116 -9.435 -3.633 181 H ARG 27 H ARG 27 -1.964 -6.001 3.632 182 HA ARG 27 HA ARG 27 -4.743 -6.506 4.247 183 HB2 ARG 27 1HB ARG 27 -2.589 -5.016 5.809 184 HB3 ARG 27 2HB ARG 27 -4.188 -5.379 6.449 185 HG2 ARG 27 1HG ARG 27 -2.178 -7.486 5.537 186 HG3 ARG 27 2HG ARG 27 -2.444 -6.969 7.204 187 HD2 ARG 27 1HD ARG 27 -4.806 -7.733 7.056 188 HD3 ARG 27 2HD ARG 27 -4.503 -8.307 5.401 189 HE ARG 27 HE ARG 27 -2.559 -9.453 7.139 190 HH11 ARG 27 2HH1 ARG 27 -5.989 -9.784 6.503 191 HH12 ARG 27 1HH1 ARG 27 -6.015 -11.449 7.018 192 HH21 ARG 27 2HH2 ARG 27 -2.667 -11.576 7.788 193 HH22 ARG 27 1HH2 ARG 27 -4.182 -12.427 7.728 194 H HIS 28 H HIS 28 -3.093 -3.381 3.570 195 HA HIS 28 HA HIS 28 -5.421 -1.751 3.881 196 HB2 HIS 28 1HB HIS 28 -3.338 -0.657 3.629 197 HB3 HIS 28 2HB HIS 28 -2.955 -1.493 2.137 198 HD1 HIS 28 1HD HIS 28 -4.923 1.511 3.370 199 HD2 HIS 28 2HD HIS 28 -4.108 -0.624 -0.155 200 HE1 HIS 28 1HE HIS 28 -5.772 2.964 1.475 201 H VAL 29 H VAL 29 -4.278 -3.504 0.921 202 HA VAL 29 HA VAL 29 -6.497 -2.664 -0.687 203 HB VAL 29 HB VAL 29 -4.672 -5.079 -0.973 204 HG11 VAL 29 1HG1 VAL 29 -6.641 -3.864 -2.964 205 HG12 VAL 29 2HG1 VAL 29 -5.385 -5.055 -3.372 206 HG13 VAL 29 3HG1 VAL 29 -6.699 -5.508 -2.286 207 HG21 VAL 29 3HG2 VAL 29 -3.559 -3.695 -2.687 208 HG22 VAL 29 1HG2 VAL 29 -4.695 -2.364 -2.386 209 HG23 VAL 29 2HG2 VAL 29 -3.535 -2.850 -1.142 210 H ILE 30 H ILE 30 -6.140 -5.540 1.395 211 HA ILE 30 HA ILE 30 -8.675 -6.730 0.770 212 HB ILE 30 HB ILE 30 -6.823 -6.892 3.167 213 HG12 ILE 30 1HG1 ILE 30 -7.475 -9.009 1.073 214 HG13 ILE 30 2HG1 ILE 30 -6.191 -7.843 0.833 215 HG21 ILE 30 1HG2 ILE 30 -9.049 -7.438 4.041 216 HG22 ILE 30 2HG2 ILE 30 -9.339 -8.546 2.680 217 HG23 ILE 30 3HG2 ILE 30 -8.105 -8.908 3.903 218 HD11 ILE 30 3HD1 ILE 30 -6.307 -9.928 3.046 219 HD12 ILE 30 1HD1 ILE 30 -5.213 -9.873 1.657 220 HD13 ILE 30 2HD1 ILE 30 -5.077 -8.646 2.930 221 H GLN 31 H GLN 31 -7.790 -4.306 3.266 222 HA GLN 31 HA GLN 31 -10.491 -4.378 4.405 223 HB2 GLN 31 1HB GLN 31 -7.968 -2.839 5.098 224 HB3 GLN 31 2HB GLN 31 -9.476 -2.723 6.011 225 HG2 GLN 31 1HG GLN 31 -9.420 -5.096 6.564 226 HG3 GLN 31 2HG GLN 31 -7.986 -5.350 5.579 227 HE21 GLN 31 1HE2 GLN 31 -7.585 -6.256 8.001 228 HE22 GLN 31 2HE2 GLN 31 -6.679 -5.121 8.993 229 H LYS 32 H LYS 32 -8.696 -2.070 2.378 230 HA LYS 32 HA LYS 32 -10.814 -0.006 2.795 231 HB2 LYS 32 1HB LYS 32 -8.018 0.309 1.650 232 HB3 LYS 32 2HB LYS 32 -9.130 1.596 2.090 233 HG2 LYS 32 1HG LYS 32 -7.777 -0.346 4.015 234 HG3 LYS 32 2HG LYS 32 -7.387 1.355 3.765 235 HD2 LYS 32 1HD LYS 32 -9.632 2.008 4.605 236 HD3 LYS 32 2HD LYS 32 -10.009 0.297 4.912 237 HE2 LYS 32 1HE LYS 32 -8.071 0.137 6.448 238 HE3 LYS 32 2HE LYS 32 -7.689 1.838 6.151 239 HZ1 LYS 32 3HZ LYS 32 -8.980 1.565 8.189 240 HZ2 LYS 32 1HZ LYS 32 -10.209 0.855 7.387 241 HZ3 LYS 32 2HZ LYS 32 -9.851 2.426 7.113 242 H HIS 33 H HIS 33 -9.965 -2.192 0.323 243 HA HIS 33 HA HIS 33 -11.560 -0.585 -1.627 244 HB2 HIS 33 1HB HIS 33 -9.097 -2.241 -2.260 245 HB3 HIS 33 2HB HIS 33 -10.131 -1.434 -3.438 246 HD1 HIS 33 1HD HIS 33 -10.352 1.450 -2.609 247 HD2 HIS 33 2HD HIS 33 -6.939 -0.867 -1.835 248 HE1 HIS 33 1HE HIS 33 -8.473 3.102 -2.229 249 H SER 34 H SER 34 -12.847 -1.699 -3.078 250 HA SER 34 HA SER 34 -13.181 -4.610 -2.951 251 HB2 SER 34 1HB SER 34 -14.428 -3.865 -0.939 252 HB3 SER 34 2HB SER 34 -15.418 -2.796 -1.948 253 HG SER 34 HG SER 34 -16.414 -4.844 -1.528 254 H ASN 35 H ASN 35 -14.740 -1.529 -3.963 255 HA ASN 35 HA ASN 35 -14.821 -2.498 -6.763 256 HB2 ASN 35 1HB ASN 35 -17.077 -2.827 -5.650 257 HB3 ASN 35 2HB ASN 35 -17.137 -1.088 -5.363 258 HD21 ASN 35 1HD2 ASN 35 -19.174 -1.254 -6.645 259 HD22 ASN 35 2HD2 ASN 35 -19.040 -1.255 -8.399 260 H ILE 36 H ILE 36 -14.634 -0.838 -8.310 261 HA ILE 36 HA ILE 36 -13.700 1.836 -7.352 262 HB ILE 36 HB ILE 36 -12.263 0.025 -9.324 263 HG12 ILE 36 1HG1 ILE 36 -11.890 -0.761 -7.015 264 HG13 ILE 36 2HG1 ILE 36 -10.440 -0.162 -7.777 265 HG21 ILE 36 1HG2 ILE 36 -10.459 1.772 -9.243 266 HG22 ILE 36 2HG2 ILE 36 -11.945 2.309 -10.020 267 HG23 ILE 36 3HG2 ILE 36 -11.579 2.835 -8.363 268 HD11 ILE 36 3HD1 ILE 36 -10.632 0.492 -5.386 269 HD12 ILE 36 1HD1 ILE 36 -10.499 1.895 -6.456 270 HD13 ILE 36 2HD1 ILE 36 -12.072 1.450 -5.762 271 H LEU 37 H LEU 37 -14.137 3.527 -8.688 272 HA LEU 37 HA LEU 37 -16.341 3.247 -10.502 273 HB2 LEU 37 1HB LEU 37 -16.449 5.571 -10.537 274 HB3 LEU 37 2HB LEU 37 -16.001 5.146 -8.897 275 HG LEU 37 HG LEU 37 -14.132 6.265 -11.047 276 HD11 LEU 37 1HD1 LEU 37 -14.201 8.309 -9.690 277 HD12 LEU 37 2HD1 LEU 37 -15.338 7.541 -8.558 278 HD13 LEU 37 3HD1 LEU 37 -15.822 7.864 -10.238 279 HD21 LEU 37 3HD2 LEU 37 -13.626 5.701 -8.087 280 HD22 LEU 37 1HD2 LEU 37 -12.562 6.659 -9.140 281 HD23 LEU 37 2HD2 LEU 37 -12.801 4.948 -9.480 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 19.326 18.273 2.471 2 H2 GLY 1 2H GLY 1 19.149 17.140 3.643 3 H3 GLY 1 3H GLY 1 18.180 18.460 3.627 4 HA2 GLY 1 1HA GLY 1 17.169 17.777 1.548 5 HA3 GLY 1 2HA GLY 1 18.206 16.338 1.582 6 H SER 2 H SER 2 16.403 14.935 1.599 7 HA SER 2 HA SER 2 14.245 15.054 3.452 8 HB2 SER 2 1HB SER 2 15.355 12.645 1.967 9 HB3 SER 2 2HB SER 2 13.748 12.777 2.707 10 HG SER 2 HG SER 2 13.709 13.233 0.451 11 H SER 3 H SER 3 13.706 13.725 5.229 12 HA SER 3 HA SER 3 15.786 12.137 6.590 13 HB2 SER 3 1HB SER 3 16.080 14.552 7.301 14 HB3 SER 3 2HB SER 3 14.456 14.476 8.010 15 HG SER 3 HG SER 3 16.154 13.997 9.519 16 H GLY 4 H GLY 4 14.919 11.046 8.529 17 HA2 GLY 4 1HA GLY 4 13.342 9.813 9.693 18 HA3 GLY 4 2HA GLY 4 12.057 10.742 8.936 19 H SER 5 H SER 5 11.268 8.417 9.232 20 HA SER 5 HA SER 5 10.520 6.449 8.473 21 HB2 SER 5 1HB SER 5 9.929 7.899 6.484 22 HB3 SER 5 2HB SER 5 11.327 7.181 5.657 23 HG SER 5 HG SER 5 9.326 6.056 5.292 24 H SER 6 H SER 6 11.062 4.376 7.233 25 HA SER 6 HA SER 6 13.880 3.691 6.949 26 HB2 SER 6 1HB SER 6 13.546 3.664 9.449 27 HB3 SER 6 2HB SER 6 12.335 2.387 9.228 28 HG SER 6 HG SER 6 14.469 1.584 9.680 29 H GLY 7 H GLY 7 14.201 1.633 6.030 30 HA2 GLY 7 1HA GLY 7 13.736 -0.241 4.769 31 HA3 GLY 7 2HA GLY 7 12.162 -0.321 5.544 32 H HIS 8 H HIS 8 11.737 -1.177 3.275 33 HA HIS 8 HA HIS 8 11.407 0.903 1.195 34 HB2 HIS 8 1HB HIS 8 12.447 -1.265 0.633 35 HB3 HIS 8 2HB HIS 8 10.943 -2.090 1.050 36 HD1 HIS 8 1HD HIS 8 8.839 -1.651 -0.688 37 HD2 HIS 8 2HD HIS 8 12.569 0.014 -1.710 38 HE1 HIS 8 1HE HIS 8 8.644 -0.910 -3.112 39 H LEU 9 H LEU 9 9.582 1.983 0.936 40 HA LEU 9 HA LEU 9 7.030 0.960 2.042 41 HB2 LEU 9 1HB LEU 9 8.004 3.670 1.166 42 HB3 LEU 9 2HB LEU 9 6.286 3.301 1.084 43 HG LEU 9 HG LEU 9 6.194 2.767 3.460 44 HD11 LEU 9 1HD1 LEU 9 9.136 3.552 3.546 45 HD12 LEU 9 2HD1 LEU 9 8.446 1.965 3.949 46 HD13 LEU 9 3HD1 LEU 9 8.089 3.356 4.968 47 HD21 LEU 9 3HD2 LEU 9 7.517 5.449 2.901 48 HD22 LEU 9 1HD2 LEU 9 6.508 5.046 4.309 49 HD23 LEU 9 2HD2 LEU 9 5.793 5.069 2.690 50 H TYR 10 H TYR 10 5.497 0.116 0.879 51 HA TYR 10 HA TYR 10 5.740 -0.045 -2.093 52 HB2 TYR 10 1HB TYR 10 4.290 -1.810 -0.088 53 HB3 TYR 10 2HB TYR 10 4.208 -1.989 -1.833 54 HD1 TYR 10 1HD TYR 10 6.570 -2.117 1.068 55 HD2 TYR 10 2HD TYR 10 5.886 -3.156 -3.060 56 HE1 TYR 10 1HE TYR 10 8.590 -3.590 1.098 57 HE2 TYR 10 2HE TYR 10 7.897 -4.616 -3.028 58 HH TYR 10 HH TYR 10 9.645 -5.438 -1.778 59 H TYR 11 H TYR 11 4.043 0.601 -3.389 60 HA TYR 11 HA TYR 11 2.102 2.460 -2.097 61 HB2 TYR 11 1HB TYR 11 3.513 2.501 -4.778 62 HB3 TYR 11 2HB TYR 11 2.152 3.537 -4.394 63 HD1 TYR 11 2HD TYR 11 5.598 2.644 -3.115 64 HD2 TYR 11 1HD TYR 11 2.492 5.633 -3.413 65 HE1 TYR 11 2HE TYR 11 7.089 4.305 -2.029 66 HE2 TYR 11 1HE TYR 11 4.002 7.298 -2.350 67 HH TYR 11 HH TYR 11 6.065 7.689 -1.429 68 H CYS 12 H CYS 12 -0.008 2.532 -2.624 69 HA CYS 12 HA CYS 12 -1.287 0.126 -3.428 70 HB2 CYS 12 1HB CYS 12 -2.075 1.752 -1.752 71 HB3 CYS 12 2HB CYS 12 -2.365 2.937 -3.030 72 H SER 13 H SER 13 -2.699 -0.308 -5.061 73 HA SER 13 HA SER 13 -1.991 0.750 -7.737 74 HB2 SER 13 1HB SER 13 -3.748 -1.596 -6.931 75 HB3 SER 13 2HB SER 13 -3.263 -1.172 -8.583 76 HG SER 13 HG SER 13 -1.915 -2.796 -7.685 77 H GLN 14 H GLN 14 -4.454 1.307 -5.406 78 HA GLN 14 HA GLN 14 -6.318 2.371 -7.512 79 HB2 GLN 14 1HB GLN 14 -7.061 0.990 -4.911 80 HB3 GLN 14 2HB GLN 14 -8.178 1.723 -6.068 81 HG2 GLN 14 1HG GLN 14 -7.301 0.117 -7.826 82 HG3 GLN 14 2HG GLN 14 -6.381 -0.687 -6.551 83 HE21 GLN 14 1HE2 GLN 14 -7.690 -2.619 -7.275 84 HE22 GLN 14 2HE2 GLN 14 -9.299 -2.796 -6.588 85 H CYS 15 H CYS 15 -4.507 3.273 -4.733 86 HA CYS 15 HA CYS 15 -5.675 5.953 -4.866 87 HB2 CYS 15 1HB CYS 15 -6.188 6.168 -2.543 88 HB3 CYS 15 2HB CYS 15 -7.061 4.781 -3.174 89 H HIS 16 H HIS 16 -4.418 7.259 -2.930 90 HA HIS 16 HA HIS 16 -1.640 7.267 -3.877 91 HB2 HIS 16 1HB HIS 16 -1.506 9.440 -2.845 92 HB3 HIS 16 2HB HIS 16 -2.974 9.328 -3.804 93 HD1 HIS 16 1HD HIS 16 -1.881 9.339 -0.091 94 HD2 HIS 16 2HD HIS 16 -5.279 9.749 -2.540 95 HE1 HIS 16 1HE HIS 16 -3.780 10.093 1.440 96 H TYR 17 H TYR 17 -2.998 5.473 -1.483 97 HA TYR 17 HA TYR 17 -1.372 5.993 0.805 98 HB2 TYR 17 1HB TYR 17 -3.528 4.817 0.835 99 HB3 TYR 17 2HB TYR 17 -2.832 3.493 -0.092 100 HD1 TYR 17 1HD TYR 17 -2.899 5.166 3.216 101 HD2 TYR 17 2HD TYR 17 -1.459 1.793 0.943 102 HE1 TYR 17 1HE TYR 17 -2.314 3.989 5.331 103 HE2 TYR 17 2HE TYR 17 -0.879 0.614 3.066 104 HH TYR 17 HH TYR 17 -1.478 2.083 6.279 105 H SER 18 H SER 18 0.361 4.882 1.708 106 HA SER 18 HA SER 18 1.630 2.695 0.297 107 HB2 SER 18 1HB SER 18 3.888 3.618 0.271 108 HB3 SER 18 2HB SER 18 2.797 4.573 -0.739 109 HG SER 18 HG SER 18 2.681 6.127 0.899 110 H SER 19 H SER 19 3.061 1.449 1.592 111 HA SER 19 HA SER 19 3.330 2.139 4.452 112 HB2 SER 19 1HB SER 19 2.298 0.043 5.224 113 HB3 SER 19 2HB SER 19 1.144 1.126 4.441 114 HG SER 19 HG SER 19 1.468 -0.139 2.501 115 H ILE 20 H ILE 20 4.693 0.769 5.669 116 HA ILE 20 HA ILE 20 6.985 -0.252 4.242 117 HB ILE 20 HB ILE 20 7.311 0.871 6.309 118 HG12 ILE 20 1HG1 ILE 20 8.655 -0.654 7.626 119 HG13 ILE 20 2HG1 ILE 20 7.908 -2.056 6.874 120 HG21 ILE 20 1HG2 ILE 20 5.181 0.443 7.480 121 HG22 ILE 20 2HG2 ILE 20 5.653 -1.251 7.733 122 HG23 ILE 20 3HG2 ILE 20 6.563 0.060 8.499 123 HD11 ILE 20 3HD1 ILE 20 9.546 0.029 5.363 124 HD12 ILE 20 1HD1 ILE 20 10.194 -1.493 6.016 125 HD13 ILE 20 2HD1 ILE 20 8.975 -1.540 4.743 126 H THR 21 H THR 21 7.379 -2.179 3.528 127 HA THR 21 HA THR 21 7.189 -4.274 2.802 128 HB THR 21 HB THR 21 6.499 -6.124 4.013 129 HG1 THR 21 1HG THR 21 5.078 -4.296 5.601 130 HG21 THR 21 3HG2 THR 21 8.534 -4.991 4.917 131 HG22 THR 21 1HG2 THR 21 7.655 -5.967 6.109 132 HG23 THR 21 2HG2 THR 21 7.508 -4.202 6.137 133 H LYS 22 H LYS 22 6.014 -5.530 1.425 134 HA LYS 22 HA LYS 22 3.497 -4.505 0.475 135 HB2 LYS 22 1HB LYS 22 3.536 -6.368 -1.091 136 HB3 LYS 22 2HB LYS 22 5.078 -5.517 -1.033 137 HG2 LYS 22 1HG LYS 22 6.059 -7.320 0.348 138 HG3 LYS 22 2HG LYS 22 4.494 -8.144 0.412 139 HD2 LYS 22 1HD LYS 22 5.891 -9.248 -1.204 140 HD3 LYS 22 2HD LYS 22 4.554 -8.457 -2.051 141 HE2 LYS 22 1HE LYS 22 6.057 -6.575 -2.669 142 HE3 LYS 22 2HE LYS 22 7.383 -7.333 -1.774 143 HZ1 LYS 22 3HZ LYS 22 7.514 -7.836 -4.150 144 HZ2 LYS 22 1HZ LYS 22 6.034 -8.518 -4.145 145 HZ3 LYS 22 2HZ LYS 22 7.260 -9.216 -3.321 146 H ASN 23 H ASN 23 4.167 -6.802 2.988 147 HA ASN 23 HA ASN 23 1.628 -8.155 3.047 148 HB2 ASN 23 1HB ASN 23 3.682 -8.889 4.254 149 HB3 ASN 23 2HB ASN 23 3.577 -7.470 5.296 150 HD21 ASN 23 1HD2 ASN 23 3.632 -9.224 6.976 151 HD22 ASN 23 2HD2 ASN 23 2.093 -9.943 7.425 152 H CYS 24 H CYS 24 2.778 -5.145 4.704 153 HA CYS 24 HA CYS 24 0.254 -4.521 5.908 154 HB2 CYS 24 1HB CYS 24 2.547 -3.579 6.479 155 HB3 CYS 24 2HB CYS 24 2.407 -2.552 5.039 156 HG CYS 24 HG CYS 24 0.121 -1.436 5.733 157 H LEU 25 H LEU 25 1.618 -3.610 2.695 158 HA LEU 25 HA LEU 25 -0.547 -2.055 1.913 159 HB2 LEU 25 1HB LEU 25 1.674 -2.125 0.781 160 HB3 LEU 25 2HB LEU 25 1.266 -3.721 0.136 161 HG LEU 25 HG LEU 25 -0.699 -2.705 -1.061 162 HD11 LEU 25 1HD1 LEU 25 -1.087 -0.703 0.332 163 HD12 LEU 25 2HD1 LEU 25 -0.758 -0.247 -1.328 164 HD13 LEU 25 3HD1 LEU 25 0.520 -0.070 -0.109 165 HD21 LEU 25 3HD2 LEU 25 0.581 -1.689 -2.818 166 HD22 LEU 25 1HD2 LEU 25 1.509 -3.039 -2.152 167 HD23 LEU 25 2HD2 LEU 25 1.937 -1.367 -1.714 168 H LYS 26 H LYS 26 -0.091 -5.599 1.452 169 HA LYS 26 HA LYS 26 -2.551 -6.102 0.065 170 HB2 LYS 26 1HB LYS 26 -0.834 -7.811 1.906 171 HB3 LYS 26 2HB LYS 26 -2.305 -8.425 1.139 172 HG2 LYS 26 1HG LYS 26 -1.425 -8.067 -1.080 173 HG3 LYS 26 2HG LYS 26 -0.049 -7.162 -0.471 174 HD2 LYS 26 1HD LYS 26 0.690 -9.385 -1.094 175 HD3 LYS 26 2HD LYS 26 0.847 -9.155 0.641 176 HE2 LYS 26 1HE LYS 26 0.027 -11.370 0.286 177 HE3 LYS 26 2HE LYS 26 -1.285 -10.430 0.994 178 HZ1 LYS 26 3HZ LYS 26 -2.042 -11.793 -0.880 179 HZ2 LYS 26 1HZ LYS 26 -1.000 -11.070 -1.902 180 HZ3 LYS 26 2HZ LYS 26 -2.239 -10.219 -1.256 181 H ARG 27 H ARG 27 -1.919 -5.921 3.591 182 HA ARG 27 HA ARG 27 -4.671 -6.405 4.353 183 HB2 ARG 27 1HB ARG 27 -2.458 -4.907 5.825 184 HB3 ARG 27 2HB ARG 27 -3.998 -5.373 6.536 185 HG2 ARG 27 1HG ARG 27 -1.934 -7.334 5.443 186 HG3 ARG 27 2HG ARG 27 -2.129 -6.893 7.138 187 HD2 ARG 27 1HD ARG 27 -4.400 -7.829 7.151 188 HD3 ARG 27 2HD ARG 27 -4.259 -8.240 5.426 189 HE ARG 27 HE ARG 27 -2.057 -9.435 6.673 190 HH11 ARG 27 2HH1 ARG 27 -5.536 -9.826 6.873 191 HH12 ARG 27 1HH1 ARG 27 -5.411 -11.508 7.307 192 HH21 ARG 27 2HH2 ARG 27 -1.974 -11.578 7.242 193 HH22 ARG 27 1HH2 ARG 27 -3.444 -12.467 7.513 194 H HIS 28 H HIS 28 -3.002 -3.318 3.568 195 HA HIS 28 HA HIS 28 -5.270 -1.630 4.011 196 HB2 HIS 28 1HB HIS 28 -3.228 -0.534 3.650 197 HB3 HIS 28 2HB HIS 28 -2.863 -1.432 2.189 198 HD1 HIS 28 1HD HIS 28 -4.891 1.586 3.325 199 HD2 HIS 28 2HD HIS 28 -3.990 -0.628 -0.131 200 HE1 HIS 28 1HE HIS 28 -5.756 2.963 1.380 201 H VAL 29 H VAL 29 -4.321 -3.401 0.997 202 HA VAL 29 HA VAL 29 -6.584 -2.531 -0.520 203 HB VAL 29 HB VAL 29 -4.910 -5.055 -0.810 204 HG11 VAL 29 1HG1 VAL 29 -7.047 -5.338 -2.026 205 HG12 VAL 29 2HG1 VAL 29 -6.824 -3.748 -2.793 206 HG13 VAL 29 3HG1 VAL 29 -5.716 -5.084 -3.155 207 HG21 VAL 29 3HG2 VAL 29 -3.638 -2.904 -1.092 208 HG22 VAL 29 1HG2 VAL 29 -3.764 -3.816 -2.592 209 HG23 VAL 29 2HG2 VAL 29 -4.799 -2.401 -2.328 210 H ILE 30 H ILE 30 -6.188 -5.493 1.473 211 HA ILE 30 HA ILE 30 -8.788 -6.569 1.071 212 HB ILE 30 HB ILE 30 -6.819 -6.749 3.375 213 HG12 ILE 30 1HG1 ILE 30 -7.610 -8.873 1.336 214 HG13 ILE 30 2HG1 ILE 30 -6.315 -7.738 1.021 215 HG21 ILE 30 1HG2 ILE 30 -9.391 -8.353 3.013 216 HG22 ILE 30 2HG2 ILE 30 -8.112 -8.732 4.183 217 HG23 ILE 30 3HG2 ILE 30 -9.016 -7.241 4.350 218 HD11 ILE 30 3HD1 ILE 30 -5.119 -8.540 3.072 219 HD12 ILE 30 1HD1 ILE 30 -6.368 -9.791 3.265 220 HD13 ILE 30 2HD1 ILE 30 -5.342 -9.778 1.824 221 H GLN 31 H GLN 31 -7.685 -4.166 3.502 222 HA GLN 31 HA GLN 31 -10.260 -4.067 4.815 223 HB2 GLN 31 1HB GLN 31 -8.108 -3.806 5.951 224 HB3 GLN 31 2HB GLN 31 -7.786 -2.312 5.058 225 HG2 GLN 31 1HG GLN 31 -9.620 -1.177 6.181 226 HG3 GLN 31 2HG GLN 31 -10.191 -2.694 6.890 227 HE21 GLN 31 1HE2 GLN 31 -7.141 -0.683 6.810 228 HE22 GLN 31 2HE2 GLN 31 -6.801 -0.965 8.511 229 H LYS 32 H LYS 32 -8.683 -1.929 2.423 230 HA LYS 32 HA LYS 32 -10.964 -0.001 2.614 231 HB2 LYS 32 1HB LYS 32 -8.144 0.339 1.516 232 HB3 LYS 32 2HB LYS 32 -9.367 1.598 1.593 233 HG2 LYS 32 1HG LYS 32 -8.092 0.219 3.995 234 HG3 LYS 32 2HG LYS 32 -7.747 1.839 3.389 235 HD2 LYS 32 1HD LYS 32 -10.178 2.453 3.834 236 HD3 LYS 32 2HD LYS 32 -10.377 0.866 4.581 237 HE2 LYS 32 1HE LYS 32 -10.038 2.337 6.374 238 HE3 LYS 32 2HE LYS 32 -8.524 1.451 6.198 239 HZ1 LYS 32 3HZ LYS 32 -9.037 4.203 5.179 240 HZ2 LYS 32 1HZ LYS 32 -7.614 3.409 5.030 241 HZ3 LYS 32 2HZ LYS 32 -8.161 3.843 6.504 242 H HIS 33 H HIS 33 -9.653 -2.239 0.292 243 HA HIS 33 HA HIS 33 -11.385 -0.989 -1.821 244 HB2 HIS 33 1HB HIS 33 -8.750 -2.437 -2.182 245 HB3 HIS 33 2HB HIS 33 -9.744 -1.742 -3.454 246 HD1 HIS 33 1HD HIS 33 -10.303 1.141 -2.238 247 HD2 HIS 33 2HD HIS 33 -6.639 -0.907 -2.174 248 HE1 HIS 33 1HE HIS 33 -8.525 2.925 -1.949 249 H SER 34 H SER 34 -10.488 -4.006 -0.265 250 HA SER 34 HA SER 34 -11.428 -6.051 -0.207 251 HB2 SER 34 1HB SER 34 -13.881 -4.773 -1.453 252 HB3 SER 34 2HB SER 34 -13.815 -6.309 -0.581 253 HG SER 34 HG SER 34 -14.517 -4.580 0.754 254 H ASN 35 H ASN 35 -12.724 -7.800 -1.579 255 HA ASN 35 HA ASN 35 -11.213 -8.320 -3.999 256 HB2 ASN 35 1HB ASN 35 -11.942 -10.121 -2.499 257 HB3 ASN 35 2HB ASN 35 -13.635 -9.676 -2.737 258 HD21 ASN 35 1HD2 ASN 35 -10.723 -10.778 -4.571 259 HD22 ASN 35 2HD2 ASN 35 -11.670 -11.659 -5.759 260 H ILE 36 H ILE 36 -11.777 -8.044 -6.115 261 HA ILE 36 HA ILE 36 -13.986 -6.202 -6.677 262 HB ILE 36 HB ILE 36 -11.712 -5.756 -7.461 263 HG12 ILE 36 1HG1 ILE 36 -13.676 -6.093 -9.759 264 HG13 ILE 36 2HG1 ILE 36 -13.769 -4.820 -8.536 265 HG21 ILE 36 1HG2 ILE 36 -12.090 -8.039 -9.449 266 HG22 ILE 36 2HG2 ILE 36 -10.690 -6.959 -9.307 267 HG23 ILE 36 3HG2 ILE 36 -11.035 -8.114 -8.023 268 HD11 ILE 36 3HD1 ILE 36 -11.519 -5.216 -10.550 269 HD12 ILE 36 1HD1 ILE 36 -12.725 -3.922 -10.516 270 HD13 ILE 36 2HD1 ILE 36 -11.502 -4.016 -9.234 271 H LEU 37 H LEU 37 -15.672 -6.503 -8.059 272 HA LEU 37 HA LEU 37 -16.666 -9.245 -8.354 273 HB2 LEU 37 1HB LEU 37 -17.912 -6.512 -8.888 274 HB3 LEU 37 2HB LEU 37 -18.718 -8.027 -9.199 275 HG LEU 37 HG LEU 37 -19.584 -7.132 -7.205 276 HD11 LEU 37 1HD1 LEU 37 -17.751 -9.419 -6.396 277 HD12 LEU 37 2HD1 LEU 37 -19.279 -9.595 -7.289 278 HD13 LEU 37 3HD1 LEU 37 -19.283 -8.948 -5.640 279 HD21 LEU 37 3HD2 LEU 37 -16.846 -7.180 -5.893 280 HD22 LEU 37 1HD2 LEU 37 -18.380 -6.635 -5.200 281 HD23 LEU 37 2HD2 LEU 37 -17.644 -5.718 -6.526 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 20.707 6.354 0.469 2 H2 GLY 1 2H GLY 1 20.566 7.575 1.555 3 H3 GLY 1 3H GLY 1 20.690 7.910 -0.043 4 HA2 GLY 1 1HA GLY 1 18.567 6.878 -0.497 5 HA3 GLY 1 2HA GLY 1 18.437 6.490 1.228 6 H SER 2 H SER 2 16.732 8.190 -0.577 7 HA SER 2 HA SER 2 17.149 10.953 0.036 8 HB2 SER 2 1HB SER 2 14.610 9.568 -0.896 9 HB3 SER 2 2HB SER 2 14.990 11.295 -1.032 10 HG SER 2 HG SER 2 15.429 10.160 -2.982 11 H SER 3 H SER 3 15.580 8.491 1.914 12 HA SER 3 HA SER 3 14.556 10.504 3.867 13 HB2 SER 3 1HB SER 3 13.040 8.050 2.890 14 HB3 SER 3 2HB SER 3 12.536 9.131 4.203 15 HG SER 3 HG SER 3 11.525 9.657 2.207 16 H GLY 4 H GLY 4 14.459 9.804 6.027 17 HA2 GLY 4 1HA GLY 4 16.517 7.913 6.814 18 HA3 GLY 4 2HA GLY 4 15.503 8.893 7.870 19 H SER 5 H SER 5 13.293 7.284 6.025 20 HA SER 5 HA SER 5 12.338 5.655 8.106 21 HB2 SER 5 1HB SER 5 11.741 5.379 5.138 22 HB3 SER 5 2HB SER 5 10.731 4.821 6.486 23 HG SER 5 HG SER 5 10.018 6.848 5.679 24 H SER 6 H SER 6 12.281 3.461 8.518 25 HA SER 6 HA SER 6 14.481 1.808 7.534 26 HB2 SER 6 1HB SER 6 13.579 0.146 9.143 27 HB3 SER 6 2HB SER 6 13.960 1.715 9.868 28 HG SER 6 HG SER 6 11.925 0.914 10.568 29 H GLY 7 H GLY 7 14.211 -0.349 6.680 30 HA2 GLY 7 1HA GLY 7 13.410 -1.879 5.139 31 HA3 GLY 7 2HA GLY 7 11.780 -1.358 5.558 32 H HIS 8 H HIS 8 10.921 -1.294 3.518 33 HA HIS 8 HA HIS 8 11.657 1.029 1.862 34 HB2 HIS 8 1HB HIS 8 12.813 -1.016 0.904 35 HB3 HIS 8 2HB HIS 8 11.223 -1.715 0.618 36 HD1 HIS 8 1HD HIS 8 13.415 1.254 -0.536 37 HD2 HIS 8 2HD HIS 8 9.947 -0.886 -1.590 38 HE1 HIS 8 1HE HIS 8 12.756 2.065 -2.861 39 H LEU 9 H LEU 9 9.881 1.962 0.814 40 HA LEU 9 HA LEU 9 7.255 1.131 1.903 41 HB2 LEU 9 1HB LEU 9 8.233 3.723 0.665 42 HB3 LEU 9 2HB LEU 9 6.535 3.358 0.930 43 HG LEU 9 HG LEU 9 7.053 2.983 3.389 44 HD11 LEU 9 1HD1 LEU 9 9.030 4.201 4.289 45 HD12 LEU 9 2HD1 LEU 9 9.640 4.426 2.633 46 HD13 LEU 9 3HD1 LEU 9 9.518 2.800 3.343 47 HD21 LEU 9 3HD2 LEU 9 7.521 5.750 2.206 48 HD22 LEU 9 1HD2 LEU 9 7.006 5.398 3.871 49 HD23 LEU 9 2HD2 LEU 9 5.942 4.997 2.517 50 H TYR 10 H TYR 10 5.540 0.559 0.761 51 HA TYR 10 HA TYR 10 5.719 0.330 -2.218 52 HB2 TYR 10 1HB TYR 10 4.592 -1.657 -0.212 53 HB3 TYR 10 2HB TYR 10 4.339 -1.743 -1.949 54 HD1 TYR 10 1HD TYR 10 7.018 -1.768 0.667 55 HD2 TYR 10 2HD TYR 10 5.942 -2.773 -3.384 56 HE1 TYR 10 1HE TYR 10 9.160 -3.026 0.409 57 HE2 TYR 10 2HE TYR 10 8.078 -4.019 -3.643 58 HH TYR 10 HH TYR 10 10.049 -4.665 -2.645 59 H TYR 11 H TYR 11 3.871 0.816 -3.356 60 HA TYR 11 HA TYR 11 1.917 2.499 -1.871 61 HB2 TYR 11 1HB TYR 11 3.011 2.645 -4.694 62 HB3 TYR 11 2HB TYR 11 1.645 3.592 -4.131 63 HD1 TYR 11 2HD TYR 11 5.288 2.945 -3.444 64 HD2 TYR 11 1HD TYR 11 1.939 5.631 -2.977 65 HE1 TYR 11 2HE TYR 11 6.803 4.673 -2.494 66 HE2 TYR 11 1HE TYR 11 3.463 7.365 -2.051 67 HH TYR 11 HH TYR 11 5.613 7.894 -1.458 68 H CYS 12 H CYS 12 -0.224 2.499 -2.293 69 HA CYS 12 HA CYS 12 -1.532 0.063 -2.712 70 HB2 CYS 12 1HB CYS 12 -2.343 1.911 -1.370 71 HB3 CYS 12 2HB CYS 12 -2.497 2.940 -2.805 72 H SER 13 H SER 13 -2.902 -0.711 -4.261 73 HA SER 13 HA SER 13 -2.151 -0.241 -7.061 74 HB2 SER 13 1HB SER 13 -4.105 -2.208 -5.818 75 HB3 SER 13 2HB SER 13 -3.591 -2.196 -7.512 76 HG SER 13 HG SER 13 -1.459 -2.613 -6.819 77 H GLN 14 H GLN 14 -4.557 1.059 -4.999 78 HA GLN 14 HA GLN 14 -6.168 1.948 -7.377 79 HB2 GLN 14 1HB GLN 14 -7.225 1.137 -4.643 80 HB3 GLN 14 2HB GLN 14 -8.161 1.885 -5.920 81 HG2 GLN 14 1HG GLN 14 -8.731 -0.311 -6.205 82 HG3 GLN 14 2HG GLN 14 -7.480 -0.103 -7.419 83 HE21 GLN 14 1HE2 GLN 14 -7.505 -2.560 -7.264 84 HE22 GLN 14 2HE2 GLN 14 -6.551 -3.293 -5.981 85 H CYS 15 H CYS 15 -4.474 3.075 -4.532 86 HA CYS 15 HA CYS 15 -5.351 5.822 -5.148 87 HB2 CYS 15 1HB CYS 15 -6.136 6.356 -2.982 88 HB3 CYS 15 2HB CYS 15 -6.990 4.913 -3.499 89 H HIS 16 H HIS 16 -4.272 7.160 -3.042 90 HA HIS 16 HA HIS 16 -1.437 7.121 -3.797 91 HB2 HIS 16 1HB HIS 16 -3.003 9.089 -2.093 92 HB3 HIS 16 2HB HIS 16 -1.384 9.330 -2.747 93 HD1 HIS 16 1HD HIS 16 -4.791 10.292 -3.561 94 HD2 HIS 16 2HD HIS 16 -1.407 8.981 -5.694 95 HE1 HIS 16 1HE HIS 16 -5.152 11.006 -5.980 96 H TYR 17 H TYR 17 -3.046 5.543 -1.332 97 HA TYR 17 HA TYR 17 -1.427 6.058 0.964 98 HB2 TYR 17 1HB TYR 17 -3.610 4.975 1.062 99 HB3 TYR 17 2HB TYR 17 -3.013 3.617 0.119 100 HD1 TYR 17 1HD TYR 17 -2.826 5.311 3.428 101 HD2 TYR 17 2HD TYR 17 -1.752 1.822 1.126 102 HE1 TYR 17 1HE TYR 17 -2.163 4.132 5.519 103 HE2 TYR 17 2HE TYR 17 -1.092 0.647 3.225 104 HH TYR 17 HH TYR 17 -1.348 2.197 6.439 105 H SER 18 H SER 18 0.242 4.837 1.941 106 HA SER 18 HA SER 18 1.514 2.668 0.475 107 HB2 SER 18 1HB SER 18 3.788 3.589 0.575 108 HB3 SER 18 2HB SER 18 2.734 4.556 -0.459 109 HG SER 18 HG SER 18 2.543 6.078 1.201 110 H SER 19 H SER 19 2.993 1.422 1.699 111 HA SER 19 HA SER 19 3.242 1.952 4.598 112 HB2 SER 19 1HB SER 19 1.128 0.628 4.262 113 HB3 SER 19 2HB SER 19 2.116 -0.690 3.599 114 HG SER 19 HG SER 19 1.608 -0.700 5.956 115 H ILE 20 H ILE 20 4.809 0.495 5.642 116 HA ILE 20 HA ILE 20 7.107 -0.052 3.904 117 HB ILE 20 HB ILE 20 8.224 -0.832 5.991 118 HG12 ILE 20 1HG1 ILE 20 5.798 0.343 7.430 119 HG13 ILE 20 2HG1 ILE 20 6.172 -1.377 7.333 120 HG21 ILE 20 1HG2 ILE 20 8.650 1.459 6.734 121 HG22 ILE 20 2HG2 ILE 20 8.470 1.411 4.989 122 HG23 ILE 20 3HG2 ILE 20 7.132 2.015 5.993 123 HD11 ILE 20 3HD1 ILE 20 7.840 0.742 8.734 124 HD12 ILE 20 1HD1 ILE 20 6.909 -0.571 9.465 125 HD13 ILE 20 2HD1 ILE 20 8.347 -0.950 8.497 126 H THR 21 H THR 21 7.677 -1.837 3.057 127 HA THR 21 HA THR 21 7.511 -3.726 2.003 128 HB THR 21 HB THR 21 8.446 -4.623 4.072 129 HG1 THR 21 1HG THR 21 8.146 -6.729 3.284 130 HG21 THR 21 3HG2 THR 21 6.571 -4.800 5.613 131 HG22 THR 21 1HG2 THR 21 7.143 -6.415 5.213 132 HG23 THR 21 2HG2 THR 21 5.657 -5.800 4.463 133 H LYS 22 H LYS 22 6.367 -5.018 0.736 134 HA LYS 22 HA LYS 22 3.689 -4.269 0.211 135 HB2 LYS 22 1HB LYS 22 3.735 -5.716 -1.617 136 HB3 LYS 22 2HB LYS 22 5.354 -5.084 -1.471 137 HG2 LYS 22 1HG LYS 22 4.380 -7.871 -0.699 138 HG3 LYS 22 2HG LYS 22 5.332 -7.444 -2.109 139 HD2 LYS 22 1HD LYS 22 6.299 -7.329 0.776 140 HD3 LYS 22 2HD LYS 22 6.685 -8.568 -0.407 141 HE2 LYS 22 1HE LYS 22 7.896 -7.018 -1.809 142 HE3 LYS 22 2HE LYS 22 7.354 -5.634 -0.863 143 HZ1 LYS 22 3HZ LYS 22 9.598 -6.248 -0.241 144 HZ2 LYS 22 1HZ LYS 22 9.154 -7.776 0.130 145 HZ3 LYS 22 2HZ LYS 22 8.614 -6.528 1.043 146 H ASN 23 H ASN 23 4.810 -6.843 2.276 147 HA ASN 23 HA ASN 23 2.378 -8.396 2.295 148 HB2 ASN 23 1HB ASN 23 4.660 -8.148 4.310 149 HB3 ASN 23 2HB ASN 23 3.356 -9.322 4.425 150 HD21 ASN 23 1HD2 ASN 23 5.755 -10.420 4.447 151 HD22 ASN 23 2HD2 ASN 23 6.123 -11.149 2.892 152 H CYS 24 H CYS 24 3.445 -5.583 4.219 153 HA CYS 24 HA CYS 24 1.134 -5.653 6.005 154 HB2 CYS 24 1HB CYS 24 3.271 -3.554 5.449 155 HB3 CYS 24 2HB CYS 24 2.075 -3.455 6.747 156 HG CYS 24 HG CYS 24 4.451 -4.167 7.681 157 H LEU 25 H LEU 25 1.966 -3.986 2.979 158 HA LEU 25 HA LEU 25 -0.112 -2.143 2.841 159 HB2 LEU 25 1HB LEU 25 1.870 -2.149 1.397 160 HB3 LEU 25 2HB LEU 25 1.362 -3.673 0.674 161 HG LEU 25 HG LEU 25 -0.633 -2.549 -0.313 162 HD11 LEU 25 1HD1 LEU 25 -0.650 -0.067 -0.418 163 HD12 LEU 25 2HD1 LEU 25 0.683 -0.010 0.757 164 HD13 LEU 25 3HD1 LEU 25 -0.911 -0.658 1.225 165 HD21 LEU 25 3HD2 LEU 25 0.586 -1.414 -2.052 166 HD22 LEU 25 1HD2 LEU 25 1.481 -2.853 -1.555 167 HD23 LEU 25 2HD2 LEU 25 2.013 -1.249 -1.003 168 H LYS 26 H LYS 26 -0.196 -5.624 2.032 169 HA LYS 26 HA LYS 26 -2.583 -5.781 0.553 170 HB2 LYS 26 1HB LYS 26 -1.658 -7.720 2.729 171 HB3 LYS 26 2HB LYS 26 -2.846 -8.075 1.487 172 HG2 LYS 26 1HG LYS 26 0.121 -7.595 1.110 173 HG3 LYS 26 2HG LYS 26 -0.744 -9.102 0.918 174 HD2 LYS 26 1HD LYS 26 -1.001 -6.657 -0.890 175 HD3 LYS 26 2HD LYS 26 -0.131 -8.151 -1.244 176 HE2 LYS 26 1HE LYS 26 -2.278 -9.431 -1.039 177 HE3 LYS 26 2HE LYS 26 -3.142 -7.907 -0.794 178 HZ1 LYS 26 3HZ LYS 26 -2.378 -7.208 -3.014 179 HZ2 LYS 26 1HZ LYS 26 -3.222 -8.604 -3.118 180 HZ3 LYS 26 2HZ LYS 26 -1.596 -8.627 -3.231 181 H ARG 27 H ARG 27 -2.286 -5.421 4.051 182 HA ARG 27 HA ARG 27 -4.994 -5.949 4.797 183 HB2 ARG 27 1HB ARG 27 -3.041 -4.002 6.094 184 HB3 ARG 27 2HB ARG 27 -4.420 -4.768 6.878 185 HG2 ARG 27 1HG ARG 27 -3.362 -6.980 6.703 186 HG3 ARG 27 2HG ARG 27 -1.980 -6.299 5.836 187 HD2 ARG 27 1HD ARG 27 -2.794 -5.620 8.681 188 HD3 ARG 27 2HD ARG 27 -1.441 -6.659 8.193 189 HE ARG 27 HE ARG 27 -1.043 -4.204 6.881 190 HH11 ARG 27 2HH1 ARG 27 -1.013 -5.309 10.207 191 HH12 ARG 27 1HH1 ARG 27 -0.077 -3.943 10.749 192 HH21 ARG 27 2HH2 ARG 27 0.012 -2.420 7.665 193 HH22 ARG 27 1HH2 ARG 27 0.523 -2.369 9.326 194 H HIS 28 H HIS 28 -3.522 -2.965 3.560 195 HA HIS 28 HA HIS 28 -5.862 -1.280 4.030 196 HB2 HIS 28 1HB HIS 28 -3.751 -0.196 3.832 197 HB3 HIS 28 2HB HIS 28 -3.351 -1.037 2.340 198 HD1 HIS 28 1HD HIS 28 -5.416 1.947 3.534 199 HD2 HIS 28 2HD HIS 28 -4.320 -0.130 0.052 200 HE1 HIS 28 1HE HIS 28 -6.141 3.419 1.597 201 H VAL 29 H VAL 29 -4.577 -3.086 1.194 202 HA VAL 29 HA VAL 29 -6.672 -2.346 -0.608 203 HB VAL 29 HB VAL 29 -4.960 -4.864 -0.651 204 HG11 VAL 29 1HG1 VAL 29 -5.365 -4.793 -3.101 205 HG12 VAL 29 2HG1 VAL 29 -6.868 -5.033 -2.206 206 HG13 VAL 29 3HG1 VAL 29 -6.483 -3.431 -2.873 207 HG21 VAL 29 3HG2 VAL 29 -3.530 -2.848 -0.616 208 HG22 VAL 29 1HG2 VAL 29 -3.516 -3.584 -2.219 209 HG23 VAL 29 2HG2 VAL 29 -4.491 -2.129 -1.929 210 H ILE 30 H ILE 30 -6.367 -5.165 1.554 211 HA ILE 30 HA ILE 30 -8.768 -6.520 0.913 212 HB ILE 30 HB ILE 30 -7.100 -6.320 3.444 213 HG12 ILE 30 1HG1 ILE 30 -7.452 -8.668 1.537 214 HG13 ILE 30 2HG1 ILE 30 -6.237 -7.441 1.258 215 HG21 ILE 30 1HG2 ILE 30 -8.282 -8.350 4.290 216 HG22 ILE 30 2HG2 ILE 30 -9.339 -6.956 4.220 217 HG23 ILE 30 3HG2 ILE 30 -9.449 -8.206 2.961 218 HD11 ILE 30 3HD1 ILE 30 -5.181 -9.300 2.342 219 HD12 ILE 30 1HD1 ILE 30 -5.230 -7.966 3.506 220 HD13 ILE 30 2HD1 ILE 30 -6.372 -9.320 3.649 221 H GLN 31 H GLN 31 -8.268 -3.828 3.233 222 HA GLN 31 HA GLN 31 -11.067 -4.000 4.130 223 HB2 GLN 31 1HB GLN 31 -8.701 -2.291 4.959 224 HB3 GLN 31 2HB GLN 31 -10.314 -2.140 5.667 225 HG2 GLN 31 1HG GLN 31 -10.280 -4.461 6.433 226 HG3 GLN 31 2HG GLN 31 -8.714 -4.737 5.666 227 HE21 GLN 31 1HE2 GLN 31 -6.863 -3.411 6.448 228 HE22 GLN 31 2HE2 GLN 31 -6.851 -2.935 8.155 229 H LYS 32 H LYS 32 -9.190 -1.799 2.063 230 HA LYS 32 HA LYS 32 -11.454 0.149 2.039 231 HB2 LYS 32 1HB LYS 32 -8.578 0.463 1.100 232 HB3 LYS 32 2HB LYS 32 -9.785 1.737 1.205 233 HG2 LYS 32 1HG LYS 32 -8.577 0.220 3.559 234 HG3 LYS 32 2HG LYS 32 -8.226 1.874 3.062 235 HD2 LYS 32 1HD LYS 32 -10.601 2.506 3.525 236 HD3 LYS 32 2HD LYS 32 -10.901 0.857 4.121 237 HE2 LYS 32 1HE LYS 32 -9.130 1.147 5.832 238 HE3 LYS 32 2HE LYS 32 -8.827 2.788 5.247 239 HZ1 LYS 32 3HZ LYS 32 -11.113 3.364 5.872 240 HZ2 LYS 32 1HZ LYS 32 -10.307 2.796 7.171 241 HZ3 LYS 32 2HZ LYS 32 -11.397 1.848 6.412 242 H HIS 33 H HIS 33 -10.084 -2.177 -0.136 243 HA HIS 33 HA HIS 33 -11.511 -0.894 -2.433 244 HB2 HIS 33 1HB HIS 33 -8.745 -2.140 -2.504 245 HB3 HIS 33 2HB HIS 33 -9.602 -1.409 -3.857 246 HD1 HIS 33 1HD HIS 33 -10.464 1.369 -2.694 247 HD2 HIS 33 2HD HIS 33 -6.797 -0.536 -1.951 248 HE1 HIS 33 1HE HIS 33 -8.862 3.211 -2.010 249 H SER 34 H SER 34 -11.732 -2.354 -4.334 250 HA SER 34 HA SER 34 -13.210 -4.687 -3.581 251 HB2 SER 34 1HB SER 34 -12.295 -3.802 -6.343 252 HB3 SER 34 2HB SER 34 -13.584 -4.964 -5.975 253 HG SER 34 HG SER 34 -14.404 -2.851 -6.384 254 H ASN 35 H ASN 35 -12.882 -6.876 -4.026 255 HA ASN 35 HA ASN 35 -10.116 -7.821 -4.005 256 HB2 ASN 35 1HB ASN 35 -12.817 -9.240 -4.045 257 HB3 ASN 35 2HB ASN 35 -11.273 -10.081 -3.976 258 HD21 ASN 35 1HD2 ASN 35 -13.147 -10.486 -1.986 259 HD22 ASN 35 2HD2 ASN 35 -12.525 -9.776 -0.502 260 H ILE 36 H ILE 36 -12.614 -7.529 -6.505 261 HA ILE 36 HA ILE 36 -11.220 -9.149 -8.447 262 HB ILE 36 HB ILE 36 -13.660 -8.913 -8.376 263 HG12 ILE 36 1HG1 ILE 36 -14.137 -8.551 -10.721 264 HG13 ILE 36 2HG1 ILE 36 -12.545 -7.847 -10.999 265 HG21 ILE 36 1HG2 ILE 36 -13.272 -6.038 -9.315 266 HG22 ILE 36 2HG2 ILE 36 -14.811 -6.902 -9.158 267 HG23 ILE 36 3HG2 ILE 36 -13.868 -6.536 -7.717 268 HD11 ILE 36 3HD1 ILE 36 -13.072 -10.711 -10.065 269 HD12 ILE 36 1HD1 ILE 36 -12.719 -10.223 -11.734 270 HD13 ILE 36 2HD1 ILE 36 -11.483 -10.027 -10.484 271 H LEU 37 H LEU 37 -10.101 -8.498 -10.271 272 HA LEU 37 HA LEU 37 -9.311 -5.719 -10.707 273 HB2 LEU 37 1HB LEU 37 -6.874 -6.236 -10.549 274 HB3 LEU 37 2HB LEU 37 -7.741 -6.207 -9.031 275 HG LEU 37 HG LEU 37 -7.716 -8.699 -8.946 276 HD11 LEU 37 1HD1 LEU 37 -6.083 -9.896 -10.413 277 HD12 LEU 37 2HD1 LEU 37 -5.957 -8.436 -11.422 278 HD13 LEU 37 3HD1 LEU 37 -7.496 -9.320 -11.293 279 HD21 LEU 37 3HD2 LEU 37 -6.006 -7.324 -7.831 280 HD22 LEU 37 1HD2 LEU 37 -5.006 -7.361 -9.300 281 HD23 LEU 37 2HD2 LEU 37 -5.332 -8.857 -8.397 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 16.512 11.814 -1.887 2 H2 GLY 1 2H GLY 1 17.330 13.232 -1.960 3 H3 GLY 1 3H GLY 1 16.003 13.097 -1.006 4 HA2 GLY 1 1HA GLY 1 18.539 11.647 -0.607 5 HA3 GLY 1 2HA GLY 1 18.011 13.056 0.332 6 H SER 2 H SER 2 18.639 10.373 1.308 7 HA SER 2 HA SER 2 16.412 8.729 1.729 8 HB2 SER 2 1HB SER 2 18.823 9.048 3.550 9 HB3 SER 2 2HB SER 2 17.766 7.629 3.418 10 HG SER 2 HG SER 2 19.698 7.398 2.185 11 H SER 3 H SER 3 17.189 11.674 3.471 12 HA SER 3 HA SER 3 15.544 11.183 5.810 13 HB2 SER 3 1HB SER 3 15.795 13.654 6.106 14 HB3 SER 3 2HB SER 3 17.328 12.780 5.930 15 HG SER 3 HG SER 3 17.243 14.693 4.637 16 H GLY 4 H GLY 4 14.900 12.390 2.558 17 HA2 GLY 4 1HA GLY 4 12.111 13.198 3.216 18 HA3 GLY 4 2HA GLY 4 12.962 13.427 1.690 19 H SER 5 H SER 5 13.887 10.645 1.490 20 HA SER 5 HA SER 5 11.314 9.239 0.820 21 HB2 SER 5 1HB SER 5 13.954 9.248 -0.685 22 HB3 SER 5 2HB SER 5 12.541 8.250 -1.073 23 HG SER 5 HG SER 5 12.667 11.102 -1.054 24 H SER 6 H SER 6 11.102 7.873 2.531 25 HA SER 6 HA SER 6 13.250 6.361 3.701 26 HB2 SER 6 1HB SER 6 10.255 5.880 3.859 27 HB3 SER 6 2HB SER 6 11.490 5.189 4.927 28 HG SER 6 HG SER 6 10.504 7.056 5.840 29 H GLY 7 H GLY 7 13.711 4.156 3.627 30 HA2 GLY 7 1HA GLY 7 13.447 2.823 1.069 31 HA3 GLY 7 2HA GLY 7 14.206 2.181 2.521 32 H HIS 8 H HIS 8 12.788 0.592 0.850 33 HA HIS 8 HA HIS 8 11.157 -0.916 0.610 34 HB2 HIS 8 1HB HIS 8 10.883 -2.377 2.480 35 HB3 HIS 8 2HB HIS 8 12.542 -1.837 2.292 36 HD1 HIS 8 1HD HIS 8 13.648 -0.724 4.421 37 HD2 HIS 8 2HD HIS 8 9.490 -1.304 4.642 38 HE1 HIS 8 1HE HIS 8 12.981 -0.198 6.826 39 H LEU 9 H LEU 9 9.970 1.664 0.759 40 HA LEU 9 HA LEU 9 7.257 1.178 1.816 41 HB2 LEU 9 1HB LEU 9 8.467 3.460 0.220 42 HB3 LEU 9 2HB LEU 9 6.750 3.354 0.589 43 HG LEU 9 HG LEU 9 8.949 3.507 2.696 44 HD11 LEU 9 1HD1 LEU 9 8.080 5.804 3.046 45 HD12 LEU 9 2HD1 LEU 9 6.972 5.593 1.674 46 HD13 LEU 9 3HD1 LEU 9 8.730 5.592 1.410 47 HD21 LEU 9 3HD2 LEU 9 6.949 2.370 3.579 48 HD22 LEU 9 1HD2 LEU 9 5.904 3.653 2.933 49 HD23 LEU 9 2HD2 LEU 9 7.056 3.996 4.242 50 H TYR 10 H TYR 10 5.534 0.592 0.750 51 HA TYR 10 HA TYR 10 5.593 0.145 -2.204 52 HB2 TYR 10 1HB TYR 10 4.396 -1.607 -0.024 53 HB3 TYR 10 2HB TYR 10 3.967 -1.731 -1.722 54 HD1 TYR 10 1HD TYR 10 6.950 -1.900 0.557 55 HD2 TYR 10 2HD TYR 10 5.190 -3.091 -3.194 56 HE1 TYR 10 1HE TYR 10 8.872 -3.434 0.142 57 HE2 TYR 10 2HE TYR 10 7.099 -4.631 -3.602 58 HH TYR 10 HH TYR 10 9.086 -5.456 -2.808 59 H TYR 11 H TYR 11 3.611 0.574 -3.275 60 HA TYR 11 HA TYR 11 1.841 2.477 -1.796 61 HB2 TYR 11 1HB TYR 11 2.994 2.751 -4.587 62 HB3 TYR 11 2HB TYR 11 1.846 3.847 -3.835 63 HD1 TYR 11 1HD TYR 11 5.350 2.555 -3.644 64 HD2 TYR 11 2HD TYR 11 2.559 5.573 -2.325 65 HE1 TYR 11 1HE TYR 11 7.222 3.845 -2.627 66 HE2 TYR 11 2HE TYR 11 4.438 6.881 -1.354 67 HH TYR 11 HH TYR 11 6.698 6.983 -0.977 68 H CYS 12 H CYS 12 -0.269 2.359 -2.074 69 HA CYS 12 HA CYS 12 -1.595 0.166 -3.256 70 HB2 CYS 12 1HB CYS 12 -2.344 1.586 -1.358 71 HB3 CYS 12 2HB CYS 12 -2.611 2.922 -2.483 72 H SER 13 H SER 13 -2.141 -0.260 -5.309 73 HA SER 13 HA SER 13 -1.722 1.606 -7.484 74 HB2 SER 13 1HB SER 13 -1.488 -0.924 -7.534 75 HB3 SER 13 2HB SER 13 -3.256 -1.011 -7.597 76 HG SER 13 HG SER 13 -2.265 -1.042 -9.686 77 H GLN 14 H GLN 14 -4.337 1.206 -5.324 78 HA GLN 14 HA GLN 14 -6.422 2.159 -7.209 79 HB2 GLN 14 1HB GLN 14 -6.584 1.246 -4.319 80 HB3 GLN 14 2HB GLN 14 -7.939 1.745 -5.303 81 HG2 GLN 14 1HG GLN 14 -7.904 -0.641 -5.167 82 HG3 GLN 14 2HG GLN 14 -7.602 -0.139 -6.828 83 HE21 GLN 14 1HE2 GLN 14 -5.246 -0.533 -4.005 84 HE22 GLN 14 2HE2 GLN 14 -4.358 -1.784 -4.847 85 H CYS 15 H CYS 15 -4.652 3.313 -4.317 86 HA CYS 15 HA CYS 15 -5.800 6.025 -4.727 87 HB2 CYS 15 1HB CYS 15 -6.521 6.219 -2.468 88 HB3 CYS 15 2HB CYS 15 -7.253 4.776 -3.162 89 H HIS 16 H HIS 16 -2.953 4.466 -4.530 90 HA HIS 16 HA HIS 16 -0.856 4.941 -4.073 91 HB2 HIS 16 1HB HIS 16 -1.562 6.881 -5.547 92 HB3 HIS 16 2HB HIS 16 -1.511 7.880 -4.096 93 HD1 HIS 16 1HD HIS 16 0.906 5.543 -6.083 94 HD2 HIS 16 2HD HIS 16 0.840 8.917 -3.567 95 HE1 HIS 16 1HE HIS 16 3.309 6.392 -5.961 96 H TYR 17 H TYR 17 -2.794 4.893 -1.635 97 HA TYR 17 HA TYR 17 -1.434 6.053 0.583 98 HB2 TYR 17 1HB TYR 17 -3.587 5.016 0.851 99 HB3 TYR 17 2HB TYR 17 -3.004 3.489 0.200 100 HD1 TYR 17 1HD TYR 17 -2.915 5.722 3.170 101 HD2 TYR 17 2HD TYR 17 -1.836 1.875 1.540 102 HE1 TYR 17 1HE TYR 17 -2.399 4.887 5.463 103 HE2 TYR 17 2HE TYR 17 -1.334 1.040 3.827 104 HH TYR 17 HH TYR 17 -1.275 1.538 6.070 105 H SER 18 H SER 18 0.434 5.526 1.676 106 HA SER 18 HA SER 18 2.165 3.427 0.493 107 HB2 SER 18 1HB SER 18 4.033 4.671 1.453 108 HB3 SER 18 2HB SER 18 3.057 5.638 0.335 109 HG SER 18 HG SER 18 3.571 6.807 2.239 110 H SER 19 H SER 19 3.136 1.849 1.642 111 HA SER 19 HA SER 19 2.936 1.791 4.599 112 HB2 SER 19 1HB SER 19 0.950 0.538 3.490 113 HB3 SER 19 2HB SER 19 2.162 -0.654 2.993 114 HG SER 19 HG SER 19 1.416 0.152 5.624 115 H ILE 20 H ILE 20 4.425 0.323 5.606 116 HA ILE 20 HA ILE 20 6.907 -0.120 4.084 117 HB ILE 20 HB ILE 20 7.832 -0.945 6.203 118 HG12 ILE 20 1HG1 ILE 20 6.106 0.091 8.183 119 HG13 ILE 20 2HG1 ILE 20 5.044 -0.868 7.168 120 HG21 ILE 20 1HG2 ILE 20 7.982 1.253 7.255 121 HG22 ILE 20 2HG2 ILE 20 8.077 1.373 5.497 122 HG23 ILE 20 3HG2 ILE 20 6.571 1.816 6.337 123 HD11 ILE 20 3HD1 ILE 20 7.616 -1.824 8.495 124 HD12 ILE 20 1HD1 ILE 20 5.956 -2.222 8.983 125 HD13 ILE 20 2HD1 ILE 20 6.593 -2.823 7.440 126 H THR 21 H THR 21 7.382 -1.872 3.031 127 HA THR 21 HA THR 21 7.272 -3.873 2.044 128 HB THR 21 HB THR 21 7.009 -5.897 3.115 129 HG1 THR 21 1HG THR 21 5.536 -4.477 5.039 130 HG21 THR 21 3HG2 THR 21 8.336 -5.782 5.120 131 HG22 THR 21 1HG2 THR 21 7.975 -4.059 5.339 132 HG23 THR 21 2HG2 THR 21 8.958 -4.595 3.956 133 H LYS 22 H LYS 22 5.967 -5.373 0.883 134 HA LYS 22 HA LYS 22 3.346 -4.414 0.177 135 HB2 LYS 22 1HB LYS 22 4.979 -5.601 -1.316 136 HB3 LYS 22 2HB LYS 22 4.625 -7.105 -0.454 137 HG2 LYS 22 1HG LYS 22 2.267 -6.986 -1.188 138 HG3 LYS 22 2HG LYS 22 2.545 -5.386 -1.889 139 HD2 LYS 22 1HD LYS 22 2.491 -7.029 -3.654 140 HD3 LYS 22 2HD LYS 22 4.131 -6.375 -3.524 141 HE2 LYS 22 1HE LYS 22 4.834 -8.391 -2.247 142 HE3 LYS 22 2HE LYS 22 3.182 -9.020 -2.320 143 HZ1 LYS 22 3HZ LYS 22 4.584 -9.994 -4.049 144 HZ2 LYS 22 1HZ LYS 22 4.923 -8.530 -4.681 145 HZ3 LYS 22 2HZ LYS 22 3.400 -9.117 -4.747 146 H ASN 23 H ASN 23 4.402 -6.746 2.575 147 HA ASN 23 HA ASN 23 1.945 -8.202 2.831 148 HB2 ASN 23 1HB ASN 23 4.252 -8.920 3.579 149 HB3 ASN 23 2HB ASN 23 4.144 -7.760 4.906 150 HD21 ASN 23 1HD2 ASN 23 2.625 -10.699 3.509 151 HD22 ASN 23 2HD2 ASN 23 1.952 -11.235 5.038 152 H CYS 24 H CYS 24 3.107 -5.223 4.480 153 HA CYS 24 HA CYS 24 0.677 -4.974 6.093 154 HB2 CYS 24 1HB CYS 24 2.861 -2.979 5.412 155 HB3 CYS 24 2HB CYS 24 1.578 -2.726 6.598 156 HG CYS 24 HG CYS 24 3.949 -3.315 7.719 157 H LEU 25 H LEU 25 1.796 -3.576 2.957 158 HA LEU 25 HA LEU 25 -0.397 -1.927 2.508 159 HB2 LEU 25 1HB LEU 25 1.681 -1.912 1.164 160 HB3 LEU 25 2HB LEU 25 1.261 -3.489 0.497 161 HG LEU 25 HG LEU 25 -0.751 -2.516 -0.589 162 HD11 LEU 25 1HD1 LEU 25 -0.966 -0.058 -0.740 163 HD12 LEU 25 2HD1 LEU 25 0.325 0.144 0.460 164 HD13 LEU 25 3HD1 LEU 25 -1.224 -0.613 0.910 165 HD21 LEU 25 3HD2 LEU 25 1.782 -0.989 -1.216 166 HD22 LEU 25 1HD2 LEU 25 0.421 -1.307 -2.314 167 HD23 LEU 25 2HD2 LEU 25 1.434 -2.648 -1.757 168 H LYS 26 H LYS 26 -0.100 -5.439 1.773 169 HA LYS 26 HA LYS 26 -2.520 -5.665 0.346 170 HB2 LYS 26 1HB LYS 26 -0.607 -7.369 0.613 171 HB3 LYS 26 2HB LYS 26 -1.359 -7.843 2.133 172 HG2 LYS 26 1HG LYS 26 -2.001 -9.375 0.374 173 HG3 LYS 26 2HG LYS 26 -3.437 -8.470 0.870 174 HD2 LYS 26 1HD LYS 26 -3.311 -7.067 -1.137 175 HD3 LYS 26 2HD LYS 26 -1.713 -7.708 -1.530 176 HE2 LYS 26 1HE LYS 26 -3.301 -8.693 -3.013 177 HE3 LYS 26 2HE LYS 26 -2.697 -9.949 -1.932 178 HZ1 LYS 26 3HZ LYS 26 -5.151 -9.953 -2.296 179 HZ2 LYS 26 1HZ LYS 26 -5.275 -8.528 -1.523 180 HZ3 LYS 26 2HZ LYS 26 -4.754 -9.857 -0.707 181 H ARG 27 H ARG 27 -2.075 -5.604 3.848 182 HA ARG 27 HA ARG 27 -4.820 -6.279 4.547 183 HB2 ARG 27 1HB ARG 27 -2.682 -4.728 6.073 184 HB3 ARG 27 2HB ARG 27 -4.241 -5.210 6.739 185 HG2 ARG 27 1HG ARG 27 -3.704 -7.585 6.426 186 HG3 ARG 27 2HG ARG 27 -2.140 -7.162 5.700 187 HD2 ARG 27 1HD ARG 27 -1.447 -6.042 7.795 188 HD3 ARG 27 2HD ARG 27 -3.024 -6.369 8.507 189 HE ARG 27 HE ARG 27 -2.397 -8.530 8.983 190 HH11 ARG 27 2HH1 ARG 27 -0.077 -7.427 6.576 191 HH12 ARG 27 1HH1 ARG 27 1.084 -8.637 7.032 192 HH21 ARG 27 2HH2 ARG 27 -0.889 -10.118 9.405 193 HH22 ARG 27 1HH2 ARG 27 0.613 -10.134 8.525 194 H HIS 28 H HIS 28 -3.282 -3.201 3.623 195 HA HIS 28 HA HIS 28 -5.646 -1.578 4.180 196 HB2 HIS 28 1HB HIS 28 -3.647 -0.362 3.993 197 HB3 HIS 28 2HB HIS 28 -3.137 -1.181 2.532 198 HD1 HIS 28 1HD HIS 28 -5.261 1.758 3.620 199 HD2 HIS 28 2HD HIS 28 -4.221 -0.407 0.174 200 HE1 HIS 28 1HE HIS 28 -6.047 3.164 1.661 201 H VAL 29 H VAL 29 -4.401 -3.251 1.239 202 HA VAL 29 HA VAL 29 -6.563 -2.497 -0.458 203 HB VAL 29 HB VAL 29 -4.820 -4.985 -0.609 204 HG11 VAL 29 1HG1 VAL 29 -6.814 -5.254 -2.038 205 HG12 VAL 29 2HG1 VAL 29 -6.539 -3.648 -2.746 206 HG13 VAL 29 3HG1 VAL 29 -5.382 -4.969 -3.025 207 HG21 VAL 29 3HG2 VAL 29 -3.503 -2.876 -0.700 208 HG22 VAL 29 1HG2 VAL 29 -3.526 -3.678 -2.267 209 HG23 VAL 29 2HG2 VAL 29 -4.563 -2.264 -1.980 210 H ILE 30 H ILE 30 -6.237 -5.415 1.590 211 HA ILE 30 HA ILE 30 -8.715 -6.640 0.969 212 HB ILE 30 HB ILE 30 -6.940 -6.655 3.429 213 HG12 ILE 30 1HG1 ILE 30 -7.525 -8.879 1.426 214 HG13 ILE 30 2HG1 ILE 30 -6.248 -7.707 1.160 215 HG21 ILE 30 1HG2 ILE 30 -9.170 -7.199 4.293 216 HG22 ILE 30 2HG2 ILE 30 -9.417 -8.381 2.988 217 HG23 ILE 30 3HG2 ILE 30 -8.197 -8.652 4.248 218 HD11 ILE 30 3HD1 ILE 30 -5.164 -8.405 3.308 219 HD12 ILE 30 1HD1 ILE 30 -6.389 -9.686 3.470 220 HD13 ILE 30 2HD1 ILE 30 -5.275 -9.698 2.100 221 H GLN 31 H GLN 31 -8.040 -4.088 3.403 222 HA GLN 31 HA GLN 31 -10.796 -4.203 4.408 223 HB2 GLN 31 1HB GLN 31 -8.372 -2.520 5.110 224 HB3 GLN 31 2HB GLN 31 -9.946 -2.329 5.891 225 HG2 GLN 31 1HG GLN 31 -9.924 -4.632 6.694 226 HG3 GLN 31 2HG GLN 31 -8.418 -4.967 5.836 227 HE21 GLN 31 1HE2 GLN 31 -6.486 -3.686 6.480 228 HE22 GLN 31 2HE2 GLN 31 -6.349 -3.189 8.177 229 H LYS 32 H LYS 32 -9.004 -2.017 2.248 230 HA LYS 32 HA LYS 32 -11.260 -0.059 2.323 231 HB2 LYS 32 1HB LYS 32 -8.415 0.246 1.294 232 HB3 LYS 32 2HB LYS 32 -9.615 1.523 1.423 233 HG2 LYS 32 1HG LYS 32 -8.353 0.013 3.754 234 HG3 LYS 32 2HG LYS 32 -8.010 1.664 3.240 235 HD2 LYS 32 1HD LYS 32 -10.369 2.308 3.755 236 HD3 LYS 32 2HD LYS 32 -10.657 0.667 4.378 237 HE2 LYS 32 1HE LYS 32 -8.840 0.971 6.036 238 HE3 LYS 32 2HE LYS 32 -8.547 2.603 5.422 239 HZ1 LYS 32 3HZ LYS 32 -10.809 3.199 6.102 240 HZ2 LYS 32 1HZ LYS 32 -9.973 2.642 7.386 241 HZ3 LYS 32 2HZ LYS 32 -11.088 1.692 6.670 242 H HIS 33 H HIS 33 -9.993 -2.383 0.085 243 HA HIS 33 HA HIS 33 -11.560 -1.101 -2.118 244 HB2 HIS 33 1HB HIS 33 -8.823 -2.371 -2.406 245 HB3 HIS 33 2HB HIS 33 -9.781 -1.610 -3.674 246 HD1 HIS 33 1HD HIS 33 -10.471 1.177 -2.621 247 HD2 HIS 33 2HD HIS 33 -6.878 -0.811 -1.754 248 HE1 HIS 33 1HE HIS 33 -8.834 2.987 -1.935 249 H SER 34 H SER 34 -12.028 -2.542 -3.955 250 HA SER 34 HA SER 34 -13.247 -4.998 -2.906 251 HB2 SER 34 1HB SER 34 -14.513 -4.923 -5.038 252 HB3 SER 34 2HB SER 34 -14.642 -3.435 -4.087 253 HG SER 34 HG SER 34 -14.223 -3.018 -6.320 254 H ASN 35 H ASN 35 -10.414 -4.327 -4.780 255 HA ASN 35 HA ASN 35 -10.478 -6.774 -6.352 256 HB2 ASN 35 1HB ASN 35 -8.279 -6.059 -7.140 257 HB3 ASN 35 2HB ASN 35 -9.462 -4.765 -7.258 258 HD21 ASN 35 1HD2 ASN 35 -6.290 -5.417 -6.349 259 HD22 ASN 35 2HD2 ASN 35 -6.088 -3.988 -5.338 260 H ILE 36 H ILE 36 -9.552 -8.686 -6.005 261 HA ILE 36 HA ILE 36 -8.492 -9.311 -3.341 262 HB ILE 36 HB ILE 36 -8.529 -11.635 -4.083 263 HG12 ILE 36 1HG1 ILE 36 -9.595 -10.609 -6.757 264 HG13 ILE 36 2HG1 ILE 36 -7.978 -11.266 -6.494 265 HG21 ILE 36 1HG2 ILE 36 -10.527 -10.494 -3.103 266 HG22 ILE 36 2HG2 ILE 36 -11.141 -10.210 -4.746 267 HG23 ILE 36 3HG2 ILE 36 -10.939 -11.864 -4.135 268 HD11 ILE 36 3HD1 ILE 36 -9.353 -12.978 -7.467 269 HD12 ILE 36 1HD1 ILE 36 -8.995 -13.440 -5.790 270 HD13 ILE 36 2HD1 ILE 36 -10.597 -12.787 -6.224 271 H LEU 37 H LEU 37 -7.099 -8.435 -6.301 272 HA LEU 37 HA LEU 37 -4.371 -9.332 -5.542 273 HB2 LEU 37 1HB LEU 37 -5.241 -10.826 -7.274 274 HB3 LEU 37 2HB LEU 37 -5.851 -9.456 -8.202 275 HG LEU 37 HG LEU 37 -3.555 -8.694 -8.640 276 HD11 LEU 37 1HD1 LEU 37 -2.746 -11.307 -7.280 277 HD12 LEU 37 2HD1 LEU 37 -2.369 -9.666 -6.705 278 HD13 LEU 37 3HD1 LEU 37 -1.659 -10.253 -8.214 279 HD21 LEU 37 3HD2 LEU 37 -4.102 -11.594 -9.401 280 HD22 LEU 37 1HD2 LEU 37 -2.995 -10.485 -10.240 281 HD23 LEU 37 2HD2 LEU 37 -4.734 -10.154 -10.232 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 22.357 10.697 -13.014 2 H2 GLY 1 2H GLY 1 23.303 9.358 -13.001 3 H3 GLY 1 3H GLY 1 22.111 9.526 -11.890 4 HA2 GLY 1 1HA GLY 1 20.421 9.412 -13.607 5 HA3 GLY 1 2HA GLY 1 21.718 9.210 -14.800 6 H SER 2 H SER 2 19.560 7.369 -14.327 7 HA SER 2 HA SER 2 19.007 5.228 -13.830 8 HB2 SER 2 1HB SER 2 21.932 4.660 -14.394 9 HB3 SER 2 2HB SER 2 20.605 3.485 -14.414 10 HG SER 2 HG SER 2 21.108 4.293 -16.515 11 H SER 3 H SER 3 19.319 6.716 -11.577 12 HA SER 3 HA SER 3 20.304 4.841 -9.487 13 HB2 SER 3 1HB SER 3 21.414 6.801 -8.379 14 HB3 SER 3 2HB SER 3 22.153 6.298 -9.901 15 HG SER 3 HG SER 3 20.483 8.561 -9.437 16 H GLY 4 H GLY 4 19.504 5.251 -7.353 17 HA2 GLY 4 1HA GLY 4 17.961 5.888 -5.746 18 HA3 GLY 4 2HA GLY 4 17.482 7.233 -6.773 19 H SER 5 H SER 5 15.307 6.969 -6.304 20 HA SER 5 HA SER 5 13.183 6.219 -6.396 21 HB2 SER 5 1HB SER 5 14.079 4.994 -9.018 22 HB3 SER 5 2HB SER 5 12.406 5.327 -8.531 23 HG SER 5 HG SER 5 13.299 7.014 -9.821 24 H SER 6 H SER 6 14.728 4.585 -4.739 25 HA SER 6 HA SER 6 13.084 2.116 -4.722 26 HB2 SER 6 1HB SER 6 15.028 0.722 -4.214 27 HB3 SER 6 2HB SER 6 15.167 1.470 -5.813 28 HG SER 6 HG SER 6 17.127 1.608 -4.622 29 H GLY 7 H GLY 7 13.012 1.026 -2.656 30 HA2 GLY 7 1HA GLY 7 14.108 1.813 -0.218 31 HA3 GLY 7 2HA GLY 7 12.682 2.830 -0.430 32 H HIS 8 H HIS 8 12.368 1.484 1.681 33 HA HIS 8 HA HIS 8 11.263 -1.203 1.273 34 HB2 HIS 8 1HB HIS 8 11.451 0.488 3.789 35 HB3 HIS 8 2HB HIS 8 11.067 -1.232 3.714 36 HD1 HIS 8 1HD HIS 8 13.959 0.881 4.377 37 HD2 HIS 8 2HD HIS 8 13.209 -2.714 2.318 38 HE1 HIS 8 1HE HIS 8 16.210 -0.292 4.146 39 H LEU 9 H LEU 9 9.951 1.784 0.870 40 HA LEU 9 HA LEU 9 7.227 1.251 1.860 41 HB2 LEU 9 1HB LEU 9 8.469 3.513 0.257 42 HB3 LEU 9 2HB LEU 9 6.746 3.414 0.588 43 HG LEU 9 HG LEU 9 8.854 3.526 2.779 44 HD11 LEU 9 1HD1 LEU 9 8.870 5.588 1.428 45 HD12 LEU 9 2HD1 LEU 9 8.186 5.883 3.035 46 HD13 LEU 9 3HD1 LEU 9 7.111 5.742 1.625 47 HD21 LEU 9 3HD2 LEU 9 6.701 2.564 3.526 48 HD22 LEU 9 1HD2 LEU 9 5.823 3.935 2.821 49 HD23 LEU 9 2HD2 LEU 9 6.918 4.179 4.200 50 H TYR 10 H TYR 10 5.505 0.682 0.713 51 HA TYR 10 HA TYR 10 5.687 0.267 -2.239 52 HB2 TYR 10 1HB TYR 10 4.456 -1.558 -0.142 53 HB3 TYR 10 2HB TYR 10 4.081 -1.645 -1.853 54 HD1 TYR 10 1HD TYR 10 6.960 -1.893 0.545 55 HD2 TYR 10 2HD TYR 10 5.385 -2.925 -3.335 56 HE1 TYR 10 1HE TYR 10 8.827 -3.512 0.219 57 HE2 TYR 10 2HE TYR 10 7.247 -4.548 -3.655 58 HH TYR 10 HH TYR 10 9.777 -5.068 -1.173 59 H TYR 11 H TYR 11 4.100 1.227 -3.338 60 HA TYR 11 HA TYR 11 2.034 2.760 -1.899 61 HB2 TYR 11 1HB TYR 11 2.959 2.745 -4.786 62 HB3 TYR 11 2HB TYR 11 1.592 3.679 -4.206 63 HD1 TYR 11 1HD TYR 11 5.299 3.295 -3.922 64 HD2 TYR 11 2HD TYR 11 1.855 5.727 -2.990 65 HE1 TYR 11 1HE TYR 11 6.799 5.147 -3.217 66 HE2 TYR 11 2HE TYR 11 3.364 7.592 -2.308 67 HH TYR 11 HH TYR 11 6.937 7.294 -2.426 68 H CYS 12 H CYS 12 -0.136 2.600 -2.218 69 HA CYS 12 HA CYS 12 -1.367 0.095 -2.525 70 HB2 CYS 12 1HB CYS 12 -2.231 1.988 -1.264 71 HB3 CYS 12 2HB CYS 12 -2.431 2.930 -2.752 72 H SER 13 H SER 13 -2.543 -0.875 -4.090 73 HA SER 13 HA SER 13 -1.858 -0.405 -6.881 74 HB2 SER 13 1HB SER 13 -3.881 -2.309 -5.638 75 HB3 SER 13 2HB SER 13 -3.293 -2.349 -7.312 76 HG SER 13 HG SER 13 -2.154 -3.828 -5.994 77 H GLN 14 H GLN 14 -4.328 0.868 -4.843 78 HA GLN 14 HA GLN 14 -6.029 1.613 -7.202 79 HB2 GLN 14 1HB GLN 14 -6.938 0.486 -4.532 80 HB3 GLN 14 2HB GLN 14 -8.008 1.134 -5.779 81 HG2 GLN 14 1HG GLN 14 -7.109 -0.593 -7.381 82 HG3 GLN 14 2HG GLN 14 -6.186 -1.300 -6.051 83 HE21 GLN 14 1HE2 GLN 14 -9.551 -0.563 -7.107 84 HE22 GLN 14 2HE2 GLN 14 -10.248 -1.897 -6.202 85 H CYS 15 H CYS 15 -4.395 2.902 -4.476 86 HA CYS 15 HA CYS 15 -5.540 5.516 -5.119 87 HB2 CYS 15 1HB CYS 15 -6.243 6.146 -2.959 88 HB3 CYS 15 2HB CYS 15 -7.011 4.607 -3.305 89 H HIS 16 H HIS 16 -4.403 6.991 -3.068 90 HA HIS 16 HA HIS 16 -1.589 7.033 -3.961 91 HB2 HIS 16 1HB HIS 16 -1.566 9.303 -3.158 92 HB3 HIS 16 2HB HIS 16 -2.976 9.049 -4.172 93 HD1 HIS 16 1HD HIS 16 -2.077 9.514 -0.440 94 HD2 HIS 16 2HD HIS 16 -5.365 9.483 -3.068 95 HE1 HIS 16 1HE HIS 16 -4.078 10.345 0.909 96 H TYR 17 H TYR 17 -3.084 5.537 -1.387 97 HA TYR 17 HA TYR 17 -1.429 6.241 0.837 98 HB2 TYR 17 1HB TYR 17 -3.571 5.088 1.039 99 HB3 TYR 17 2HB TYR 17 -2.939 3.700 0.167 100 HD1 TYR 17 1HD TYR 17 -2.514 5.689 3.317 101 HD2 TYR 17 2HD TYR 17 -1.869 1.923 1.309 102 HE1 TYR 17 1HE TYR 17 -1.801 4.659 5.469 103 HE2 TYR 17 2HE TYR 17 -1.176 0.893 3.471 104 HH TYR 17 HH TYR 17 -1.089 2.755 6.529 105 H SER 18 H SER 18 0.265 5.032 1.863 106 HA SER 18 HA SER 18 1.758 3.031 0.324 107 HB2 SER 18 1HB SER 18 2.643 5.245 -0.440 108 HB3 SER 18 2HB SER 18 3.116 5.600 1.230 109 HG SER 18 HG SER 18 4.778 4.661 -0.154 110 H SER 19 H SER 19 3.014 1.697 1.594 111 HA SER 19 HA SER 19 3.374 2.273 4.472 112 HB2 SER 19 1HB SER 19 1.143 1.135 4.213 113 HB3 SER 19 2HB SER 19 1.999 -0.290 3.591 114 HG SER 19 HG SER 19 1.557 -0.247 5.927 115 H ILE 20 H ILE 20 4.822 0.750 5.542 116 HA ILE 20 HA ILE 20 7.083 -0.063 3.870 117 HB ILE 20 HB ILE 20 6.492 -0.441 6.824 118 HG12 ILE 20 1HG1 ILE 20 6.915 1.921 6.104 119 HG13 ILE 20 2HG1 ILE 20 8.055 1.292 7.275 120 HG21 ILE 20 1HG2 ILE 20 8.992 -1.187 5.253 121 HG22 ILE 20 2HG2 ILE 20 8.933 -1.035 7.024 122 HG23 ILE 20 3HG2 ILE 20 7.951 -2.256 6.217 123 HD11 ILE 20 3HD1 ILE 20 9.107 2.689 5.494 124 HD12 ILE 20 1HD1 ILE 20 9.796 1.064 5.600 125 HD13 ILE 20 2HD1 ILE 20 8.663 1.465 4.292 126 H THR 21 H THR 21 7.457 -1.948 3.033 127 HA THR 21 HA THR 21 7.117 -3.850 2.016 128 HB THR 21 HB THR 21 8.025 -4.856 3.915 129 HG1 THR 21 1HG THR 21 7.351 -6.871 3.410 130 HG21 THR 21 3HG2 THR 21 5.192 -5.239 4.955 131 HG22 THR 21 1HG2 THR 21 6.538 -4.402 5.763 132 HG23 THR 21 2HG2 THR 21 6.610 -6.147 5.526 133 H LYS 22 H LYS 22 5.921 -4.846 0.653 134 HA LYS 22 HA LYS 22 3.164 -4.394 0.215 135 HB2 LYS 22 1HB LYS 22 3.329 -6.288 -1.372 136 HB3 LYS 22 2HB LYS 22 4.583 -5.073 -1.565 137 HG2 LYS 22 1HG LYS 22 6.192 -6.547 -0.336 138 HG3 LYS 22 2HG LYS 22 4.933 -7.791 -0.220 139 HD2 LYS 22 1HD LYS 22 4.801 -7.911 -2.675 140 HD3 LYS 22 2HD LYS 22 6.001 -6.629 -2.839 141 HE2 LYS 22 1HE LYS 22 6.486 -9.355 -1.550 142 HE3 LYS 22 2HE LYS 22 6.915 -8.916 -3.204 143 HZ1 LYS 22 3HZ LYS 22 8.838 -8.663 -1.817 144 HZ2 LYS 22 1HZ LYS 22 8.062 -7.712 -0.747 145 HZ3 LYS 22 2HZ LYS 22 8.376 -7.157 -2.252 146 H ASN 23 H ASN 23 4.704 -6.793 2.279 147 HA ASN 23 HA ASN 23 2.466 -8.559 2.596 148 HB2 ASN 23 1HB ASN 23 4.825 -9.101 3.157 149 HB3 ASN 23 2HB ASN 23 4.791 -7.928 4.474 150 HD21 ASN 23 2HD2 ASN 23 4.159 -8.720 6.494 151 HD22 ASN 23 1HD2 ASN 23 3.342 -10.258 6.706 152 H CYS 24 H CYS 24 3.249 -5.472 4.182 153 HA CYS 24 HA CYS 24 0.954 -5.735 6.059 154 HB2 CYS 24 1HB CYS 24 3.130 -3.640 5.708 155 HB3 CYS 24 2HB CYS 24 1.800 -3.500 6.861 156 HG CYS 24 HG CYS 24 4.059 -5.919 6.617 157 H LEU 25 H LEU 25 1.919 -3.853 3.165 158 HA LEU 25 HA LEU 25 -0.243 -2.124 2.980 159 HB2 LEU 25 1HB LEU 25 1.807 -2.049 1.586 160 HB3 LEU 25 2HB LEU 25 1.309 -3.550 0.802 161 HG LEU 25 HG LEU 25 -0.709 -2.378 -0.132 162 HD11 LEU 25 1HD1 LEU 25 -0.683 0.095 -0.185 163 HD12 LEU 25 2HD1 LEU 25 0.688 0.112 0.946 164 HD13 LEU 25 3HD1 LEU 25 -0.901 -0.511 1.460 165 HD21 LEU 25 3HD2 LEU 25 1.955 -1.151 -0.849 166 HD22 LEU 25 1HD2 LEU 25 0.503 -1.247 -1.870 167 HD23 LEU 25 2HD2 LEU 25 1.359 -2.725 -1.418 168 H LYS 26 H LYS 26 -0.075 -5.535 1.901 169 HA LYS 26 HA LYS 26 -2.330 -5.738 0.303 170 HB2 LYS 26 1HB LYS 26 -0.614 -7.499 0.811 171 HB3 LYS 26 2HB LYS 26 -1.410 -7.795 2.363 172 HG2 LYS 26 1HG LYS 26 -3.487 -8.443 1.148 173 HG3 LYS 26 2HG LYS 26 -2.682 -8.116 -0.397 174 HD2 LYS 26 1HD LYS 26 -1.001 -9.875 0.114 175 HD3 LYS 26 2HD LYS 26 -1.810 -10.195 1.664 176 HE2 LYS 26 1HE LYS 26 -3.894 -10.795 0.447 177 HE3 LYS 26 2HE LYS 26 -3.088 -10.478 -1.095 178 HZ1 LYS 26 3HZ LYS 26 -1.527 -12.279 -0.571 179 HZ2 LYS 26 1HZ LYS 26 -3.057 -12.844 -0.547 180 HZ3 LYS 26 2HZ LYS 26 -2.271 -12.571 0.855 181 H ARG 27 H ARG 27 -2.335 -5.630 3.829 182 HA ARG 27 HA ARG 27 -5.085 -6.296 4.325 183 HB2 ARG 27 1HB ARG 27 -3.297 -4.394 5.900 184 HB3 ARG 27 2HB ARG 27 -4.705 -5.253 6.517 185 HG2 ARG 27 1HG ARG 27 -3.557 -7.410 6.311 186 HG3 ARG 27 2HG ARG 27 -2.143 -6.642 5.576 187 HD2 ARG 27 1HD ARG 27 -3.166 -6.135 8.390 188 HD3 ARG 27 2HD ARG 27 -1.754 -7.114 7.945 189 HE ARG 27 HE ARG 27 -1.354 -4.574 6.789 190 HH11 ARG 27 2HH1 ARG 27 -1.466 -5.879 10.040 191 HH12 ARG 27 1HH1 ARG 27 -0.592 -4.529 10.710 192 HH21 ARG 27 2HH2 ARG 27 -0.378 -2.826 7.726 193 HH22 ARG 27 1HH2 ARG 27 0.045 -2.862 9.414 194 H HIS 28 H HIS 28 -3.548 -3.151 3.597 195 HA HIS 28 HA HIS 28 -5.924 -1.534 3.954 196 HB2 HIS 28 1HB HIS 28 -3.821 -0.420 3.987 197 HB3 HIS 28 2HB HIS 28 -3.295 -1.150 2.481 198 HD1 HIS 28 1HD HIS 28 -5.253 1.843 3.703 199 HD2 HIS 28 2HD HIS 28 -4.278 -0.196 0.165 200 HE1 HIS 28 1HE HIS 28 -5.941 3.383 1.809 201 H VAL 29 H VAL 29 -4.498 -3.209 1.107 202 HA VAL 29 HA VAL 29 -6.528 -2.278 -0.710 203 HB VAL 29 HB VAL 29 -4.776 -4.738 -1.040 204 HG11 VAL 29 1HG1 VAL 29 -6.592 -4.590 -2.704 205 HG12 VAL 29 2HG1 VAL 29 -6.167 -2.907 -3.060 206 HG13 VAL 29 3HG1 VAL 29 -5.048 -4.227 -3.467 207 HG21 VAL 29 3HG2 VAL 29 -3.253 -3.217 -2.300 208 HG22 VAL 29 1HG2 VAL 29 -4.241 -1.827 -1.801 209 HG23 VAL 29 2HG2 VAL 29 -3.339 -2.775 -0.597 210 H ILE 30 H ILE 30 -6.317 -5.217 1.291 211 HA ILE 30 HA ILE 30 -8.770 -6.429 0.412 212 HB ILE 30 HB ILE 30 -7.197 -6.594 3.008 213 HG12 ILE 30 1HG1 ILE 30 -7.562 -8.681 0.825 214 HG13 ILE 30 2HG1 ILE 30 -6.246 -7.527 0.790 215 HG21 ILE 30 1HG2 ILE 30 -8.560 -8.618 3.565 216 HG22 ILE 30 2HG2 ILE 30 -9.522 -7.160 3.580 217 HG23 ILE 30 3HG2 ILE 30 -9.620 -8.261 2.186 218 HD11 ILE 30 3HD1 ILE 30 -5.457 -9.619 1.710 219 HD12 ILE 30 1HD1 ILE 30 -5.427 -8.383 2.985 220 HD13 ILE 30 2HD1 ILE 30 -6.704 -9.623 2.955 221 H GLN 31 H GLN 31 -8.142 -4.122 3.116 222 HA GLN 31 HA GLN 31 -10.925 -4.239 3.933 223 HB2 GLN 31 1HB GLN 31 -8.932 -4.110 5.460 224 HB3 GLN 31 2HB GLN 31 -8.716 -2.425 4.962 225 HG2 GLN 31 1HG GLN 31 -11.086 -1.971 5.775 226 HG3 GLN 31 2HG GLN 31 -11.150 -3.636 6.361 227 HE21 GLN 31 1HE2 GLN 31 -9.438 -4.232 8.074 228 HE22 GLN 31 2HE2 GLN 31 -8.929 -2.931 9.142 229 H LYS 32 H LYS 32 -8.914 -1.646 2.443 230 HA LYS 32 HA LYS 32 -11.139 0.281 2.652 231 HB2 LYS 32 1HB LYS 32 -8.391 0.676 1.417 232 HB3 LYS 32 2HB LYS 32 -9.541 1.920 1.882 233 HG2 LYS 32 1HG LYS 32 -7.917 0.130 3.724 234 HG3 LYS 32 2HG LYS 32 -7.797 1.874 3.494 235 HD2 LYS 32 1HD LYS 32 -10.122 2.103 4.461 236 HD3 LYS 32 2HD LYS 32 -10.059 0.368 4.855 237 HE2 LYS 32 1HE LYS 32 -7.877 0.838 6.094 238 HE3 LYS 32 2HE LYS 32 -8.176 2.561 5.832 239 HZ1 LYS 32 3HZ LYS 32 -10.328 2.213 7.052 240 HZ2 LYS 32 1HZ LYS 32 -9.010 1.947 7.980 241 HZ3 LYS 32 2HZ LYS 32 -9.844 0.676 7.401 242 H HIS 33 H HIS 33 -9.909 -1.806 0.178 243 HA HIS 33 HA HIS 33 -11.641 -0.456 -1.858 244 HB2 HIS 33 1HB HIS 33 -9.023 -1.900 -2.372 245 HB3 HIS 33 2HB HIS 33 -10.016 -1.029 -3.542 246 HD1 HIS 33 1HD HIS 33 -10.399 1.765 -2.417 247 HD2 HIS 33 2HD HIS 33 -6.920 -0.513 -1.824 248 HE1 HIS 33 1HE HIS 33 -8.574 3.430 -1.841 249 H SER 34 H SER 34 -12.099 -1.993 -3.747 250 HA SER 34 HA SER 34 -13.786 -4.023 -2.690 251 HB2 SER 34 1HB SER 34 -13.139 -3.468 -5.601 252 HB3 SER 34 2HB SER 34 -14.595 -4.250 -4.963 253 HG SER 34 HG SER 34 -15.181 -2.295 -3.984 254 H ASN 35 H ASN 35 -10.672 -4.605 -2.768 255 HA ASN 35 HA ASN 35 -10.509 -7.008 -4.415 256 HB2 ASN 35 1HB ASN 35 -8.703 -5.213 -4.033 257 HB3 ASN 35 2HB ASN 35 -8.427 -5.984 -2.470 258 HD21 ASN 35 1HD2 ASN 35 -8.015 -8.450 -2.638 259 HD22 ASN 35 2HD2 ASN 35 -6.997 -8.953 -3.992 260 H ILE 36 H ILE 36 -12.541 -7.549 -2.851 261 HA ILE 36 HA ILE 36 -11.712 -9.159 -0.520 262 HB ILE 36 HB ILE 36 -13.639 -7.590 -0.468 263 HG12 ILE 36 1HG1 ILE 36 -14.459 -10.464 0.077 264 HG13 ILE 36 2HG1 ILE 36 -13.354 -9.531 1.092 265 HG21 ILE 36 1HG2 ILE 36 -15.096 -9.624 -2.219 266 HG22 ILE 36 2HG2 ILE 36 -15.757 -8.128 -1.537 267 HG23 ILE 36 3HG2 ILE 36 -14.520 -8.041 -2.782 268 HD11 ILE 36 3HD1 ILE 36 -15.560 -9.469 2.069 269 HD12 ILE 36 1HD1 ILE 36 -15.164 -7.845 1.473 270 HD13 ILE 36 2HD1 ILE 36 -16.285 -8.889 0.563 271 H LEU 37 H LEU 37 -12.288 -9.646 -3.831 272 HA LEU 37 HA LEU 37 -13.124 -12.455 -3.711 273 HB2 LEU 37 1HB LEU 37 -12.345 -10.702 -6.076 274 HB3 LEU 37 2HB LEU 37 -13.080 -12.295 -6.173 275 HG LEU 37 HG LEU 37 -14.407 -9.794 -5.033 276 HD11 LEU 37 1HD1 LEU 37 -14.906 -11.365 -7.595 277 HD12 LEU 37 2HD1 LEU 37 -14.123 -9.772 -7.482 278 HD13 LEU 37 3HD1 LEU 37 -15.826 -9.953 -7.030 279 HD21 LEU 37 3HD2 LEU 37 -15.273 -11.793 -3.895 280 HD22 LEU 37 1HD2 LEU 37 -15.514 -12.607 -5.460 281 HD23 LEU 37 2HD2 LEU 37 -16.475 -11.173 -5.031 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 16.519 -3.742 13.178 2 H2 GLY 1 2H GLY 1 17.963 -4.016 13.896 3 H3 GLY 1 3H GLY 1 17.411 -5.048 12.750 4 HA2 GLY 1 1HA GLY 1 19.137 -3.666 11.820 5 HA3 GLY 1 2HA GLY 1 17.570 -3.351 11.053 6 H SER 2 H SER 2 18.411 -1.261 10.439 7 HA SER 2 HA SER 2 19.314 0.719 12.279 8 HB2 SER 2 1HB SER 2 18.020 1.075 9.550 9 HB3 SER 2 2HB SER 2 18.968 2.292 10.427 10 HG SER 2 HG SER 2 20.235 1.150 8.881 11 H SER 3 H SER 3 18.335 2.569 13.145 12 HA SER 3 HA SER 3 15.533 2.363 13.909 13 HB2 SER 3 1HB SER 3 16.012 4.523 15.069 14 HB3 SER 3 2HB SER 3 17.107 3.200 15.505 15 HG SER 3 HG SER 3 18.235 5.166 15.094 16 H GLY 4 H GLY 4 17.378 4.415 11.661 17 HA2 GLY 4 1HA GLY 4 14.998 5.832 10.652 18 HA3 GLY 4 2HA GLY 4 16.646 5.967 10.049 19 H SER 5 H SER 5 14.246 5.682 8.471 20 HA SER 5 HA SER 5 14.155 2.986 7.358 21 HB2 SER 5 1HB SER 5 12.631 4.031 5.690 22 HB3 SER 5 2HB SER 5 12.132 4.257 7.374 23 HG SER 5 HG SER 5 11.970 6.201 6.154 24 H SER 6 H SER 6 14.691 2.392 5.233 25 HA SER 6 HA SER 6 16.834 3.996 3.878 26 HB2 SER 6 1HB SER 6 18.055 1.908 3.511 27 HB3 SER 6 2HB SER 6 17.815 2.225 5.236 28 HG SER 6 HG SER 6 17.352 0.041 4.677 29 H GLY 7 H GLY 7 13.799 2.907 3.376 30 HA2 GLY 7 1HA GLY 7 13.263 3.213 0.762 31 HA3 GLY 7 2HA GLY 7 14.119 1.662 0.720 32 H HIS 8 H HIS 8 12.778 0.002 0.761 33 HA HIS 8 HA HIS 8 11.074 -1.404 1.134 34 HB2 HIS 8 1HB HIS 8 10.854 -1.997 3.511 35 HB3 HIS 8 2HB HIS 8 12.501 -1.802 2.938 36 HD1 HIS 8 1HD HIS 8 9.959 0.152 5.117 37 HD2 HIS 8 2HD HIS 8 14.051 -0.091 4.189 38 HE1 HIS 8 1HE HIS 8 11.148 1.734 6.726 39 H LEU 9 H LEU 9 9.983 1.476 0.885 40 HA LEU 9 HA LEU 9 7.250 1.076 1.939 41 HB2 LEU 9 1HB LEU 9 8.594 3.301 0.371 42 HB3 LEU 9 2HB LEU 9 6.860 3.276 0.663 43 HG LEU 9 HG LEU 9 8.912 3.242 2.917 44 HD11 LEU 9 1HD1 LEU 9 9.100 5.320 1.604 45 HD12 LEU 9 2HD1 LEU 9 8.374 5.632 3.187 46 HD13 LEU 9 3HD1 LEU 9 7.347 5.576 1.736 47 HD21 LEU 9 3HD2 LEU 9 5.913 3.831 2.871 48 HD22 LEU 9 1HD2 LEU 9 6.980 3.986 4.284 49 HD23 LEU 9 2HD2 LEU 9 6.689 2.398 3.577 50 H TYR 10 H TYR 10 5.515 0.533 0.821 51 HA TYR 10 HA TYR 10 5.695 -0.008 -2.114 52 HB2 TYR 10 1HB TYR 10 4.400 -1.679 0.069 53 HB3 TYR 10 2HB TYR 10 4.072 -1.878 -1.645 54 HD1 TYR 10 1HD TYR 10 6.886 -1.951 0.843 55 HD2 TYR 10 2HD TYR 10 5.436 -3.241 -3.008 56 HE1 TYR 10 1HE TYR 10 8.850 -3.468 0.614 57 HE2 TYR 10 2HE TYR 10 7.389 -4.769 -3.227 58 HH TYR 10 HH TYR 10 9.904 -5.036 -0.689 59 H TYR 11 H TYR 11 3.934 0.578 -3.325 60 HA TYR 11 HA TYR 11 2.087 2.529 -2.020 61 HB2 TYR 11 1HB TYR 11 3.352 2.505 -4.778 62 HB3 TYR 11 2HB TYR 11 2.131 3.646 -4.250 63 HD1 TYR 11 1HD TYR 11 5.624 2.462 -3.513 64 HD2 TYR 11 2HD TYR 11 2.712 5.619 -3.068 65 HE1 TYR 11 1HE TYR 11 7.370 3.930 -2.535 66 HE2 TYR 11 2HE TYR 11 4.474 7.098 -2.109 67 HH TYR 11 HH TYR 11 7.858 5.998 -1.672 68 H CYS 12 H CYS 12 -0.037 2.576 -2.479 69 HA CYS 12 HA CYS 12 -1.337 0.164 -3.129 70 HB2 CYS 12 1HB CYS 12 -2.098 1.909 -1.576 71 HB3 CYS 12 2HB CYS 12 -2.390 3.003 -2.934 72 H SER 13 H SER 13 -2.708 -0.440 -4.729 73 HA SER 13 HA SER 13 -2.061 0.430 -7.475 74 HB2 SER 13 1HB SER 13 -3.850 -1.816 -6.473 75 HB3 SER 13 2HB SER 13 -3.373 -1.530 -8.157 76 HG SER 13 HG SER 13 -2.044 -3.105 -7.147 77 H GLN 14 H GLN 14 -4.492 1.186 -5.162 78 HA GLN 14 HA GLN 14 -6.352 2.156 -7.316 79 HB2 GLN 14 1HB GLN 14 -7.077 0.766 -4.714 80 HB3 GLN 14 2HB GLN 14 -8.224 1.542 -5.811 81 HG2 GLN 14 1HG GLN 14 -7.447 -0.010 -7.647 82 HG3 GLN 14 2HG GLN 14 -6.448 -0.846 -6.458 83 HE21 GLN 14 1HE2 GLN 14 -7.453 -2.824 -6.083 84 HE22 GLN 14 2HE2 GLN 14 -9.171 -3.001 -5.756 85 H CYS 15 H CYS 15 -4.524 3.189 -4.619 86 HA CYS 15 HA CYS 15 -5.687 5.848 -4.911 87 HB2 CYS 15 1HB CYS 15 -6.204 6.248 -2.618 88 HB3 CYS 15 2HB CYS 15 -7.075 4.813 -3.127 89 H HIS 16 H HIS 16 -4.414 7.218 -2.964 90 HA HIS 16 HA HIS 16 -1.649 7.217 -3.953 91 HB2 HIS 16 1HB HIS 16 -3.191 9.228 -3.820 92 HB3 HIS 16 2HB HIS 16 -3.011 9.167 -2.067 93 HD1 HIS 16 1HD HIS 16 -0.816 9.692 -5.234 94 HD2 HIS 16 2HD HIS 16 -0.900 10.418 -1.089 95 HE1 HIS 16 1HE HIS 16 1.189 11.184 -4.732 96 H TYR 17 H TYR 17 -3.056 5.585 -1.411 97 HA TYR 17 HA TYR 17 -1.388 6.148 0.819 98 HB2 TYR 17 1HB TYR 17 -3.551 5.005 0.929 99 HB3 TYR 17 2HB TYR 17 -2.896 3.644 0.026 100 HD1 TYR 17 1HD TYR 17 -2.902 5.377 3.301 101 HD2 TYR 17 2HD TYR 17 -1.517 1.955 1.068 102 HE1 TYR 17 1HE TYR 17 -2.291 4.235 5.427 103 HE2 TYR 17 2HE TYR 17 -0.901 0.816 3.197 104 HH TYR 17 HH TYR 17 -1.447 2.344 6.397 105 H SER 18 H SER 18 0.342 5.054 1.764 106 HA SER 18 HA SER 18 1.592 2.801 0.413 107 HB2 SER 18 1HB SER 18 3.854 3.738 0.406 108 HB3 SER 18 2HB SER 18 2.761 4.659 -0.637 109 HG SER 18 HG SER 18 4.047 6.048 0.638 110 H SER 19 H SER 19 2.947 1.552 1.711 111 HA SER 19 HA SER 19 3.360 2.269 4.541 112 HB2 SER 19 1HB SER 19 2.357 0.181 5.372 113 HB3 SER 19 2HB SER 19 1.167 1.255 4.629 114 HG SER 19 HG SER 19 0.900 -0.907 3.961 115 H ILE 20 H ILE 20 4.684 0.616 5.705 116 HA ILE 20 HA ILE 20 6.911 -0.184 4.019 117 HB ILE 20 HB ILE 20 8.067 -0.866 5.963 118 HG12 ILE 20 1HG1 ILE 20 6.476 -1.887 7.418 119 HG13 ILE 20 2HG1 ILE 20 7.306 -0.594 8.248 120 HG21 ILE 20 1HG2 ILE 20 8.105 1.487 5.327 121 HG22 ILE 20 2HG2 ILE 20 6.732 1.833 6.389 122 HG23 ILE 20 3HG2 ILE 20 8.274 1.300 7.078 123 HD11 ILE 20 3HD1 ILE 20 5.271 0.868 7.952 124 HD12 ILE 20 1HD1 ILE 20 4.428 -0.545 7.257 125 HD13 ILE 20 2HD1 ILE 20 5.005 -0.587 8.925 126 H THR 21 H THR 21 7.409 -2.060 3.234 127 HA THR 21 HA THR 21 7.214 -4.102 2.364 128 HB THR 21 HB THR 21 6.732 -6.038 3.544 129 HG1 THR 21 1HG THR 21 5.311 -4.365 5.297 130 HG21 THR 21 3HG2 THR 21 7.998 -5.877 5.588 131 HG22 THR 21 1HG2 THR 21 7.773 -4.118 5.665 132 HG23 THR 21 2HG2 THR 21 8.752 -4.838 4.364 133 H LYS 22 H LYS 22 5.986 -5.322 0.987 134 HA LYS 22 HA LYS 22 3.338 -4.467 0.345 135 HB2 LYS 22 1HB LYS 22 3.283 -6.113 -1.311 136 HB3 LYS 22 2HB LYS 22 4.909 -5.474 -1.280 137 HG2 LYS 22 1HG LYS 22 4.036 -8.162 -0.128 138 HG3 LYS 22 2HG LYS 22 4.784 -7.885 -1.698 139 HD2 LYS 22 1HD LYS 22 6.831 -6.968 -0.506 140 HD3 LYS 22 2HD LYS 22 6.075 -7.453 1.021 141 HE2 LYS 22 1HE LYS 22 7.573 -9.190 0.470 142 HE3 LYS 22 2HE LYS 22 5.948 -9.813 0.177 143 HZ1 LYS 22 3HZ LYS 22 7.486 -10.359 -1.634 144 HZ2 LYS 22 1HZ LYS 22 7.796 -8.785 -1.921 145 HZ3 LYS 22 2HZ LYS 22 6.304 -9.396 -2.208 146 H ASN 23 H ASN 23 4.352 -6.743 2.746 147 HA ASN 23 HA ASN 23 1.894 -8.233 2.983 148 HB2 ASN 23 1HB ASN 23 4.054 -9.014 3.871 149 HB3 ASN 23 2HB ASN 23 4.126 -7.646 4.982 150 HD21 ASN 23 1HD2 ASN 23 3.190 -7.917 7.009 151 HD22 ASN 23 2HD2 ASN 23 2.143 -9.270 7.406 152 H CYS 24 H CYS 24 3.016 -5.150 4.462 153 HA CYS 24 HA CYS 24 0.600 -4.783 6.048 154 HB2 CYS 24 1HB CYS 24 2.859 -3.722 6.489 155 HB3 CYS 24 2HB CYS 24 2.590 -2.696 5.067 156 HG CYS 24 HG CYS 24 0.711 -3.018 7.798 157 H LEU 25 H LEU 25 1.706 -3.548 2.842 158 HA LEU 25 HA LEU 25 -0.544 -2.049 2.249 159 HB2 LEU 25 1HB LEU 25 1.636 -2.029 1.027 160 HB3 LEU 25 2HB LEU 25 1.216 -3.590 0.313 161 HG LEU 25 HG LEU 25 -0.791 -2.524 -0.766 162 HD11 LEU 25 1HD1 LEU 25 -1.146 -0.598 0.728 163 HD12 LEU 25 2HD1 LEU 25 -0.842 -0.041 -0.912 164 HD13 LEU 25 3HD1 LEU 25 0.454 0.055 0.299 165 HD21 LEU 25 3HD2 LEU 25 1.824 -1.147 -1.422 166 HD22 LEU 25 1HD2 LEU 25 0.440 -1.421 -2.503 167 HD23 LEU 25 2HD2 LEU 25 1.390 -2.796 -1.931 168 H LYS 26 H LYS 26 -0.064 -5.554 1.670 169 HA LYS 26 HA LYS 26 -2.424 -6.134 0.243 170 HB2 LYS 26 1HB LYS 26 -0.555 -7.703 0.695 171 HB3 LYS 26 2HB LYS 26 -1.051 -7.816 2.389 172 HG2 LYS 26 1HG LYS 26 -3.215 -8.792 1.701 173 HG3 LYS 26 2HG LYS 26 -2.766 -8.615 -0.007 174 HD2 LYS 26 1HD LYS 26 -0.856 -10.162 0.341 175 HD3 LYS 26 2HD LYS 26 -1.296 -10.324 2.056 176 HE2 LYS 26 1HE LYS 26 -3.514 -11.234 1.398 177 HE3 LYS 26 2HE LYS 26 -3.079 -11.071 -0.309 178 HZ1 LYS 26 3HZ LYS 26 -2.700 -13.334 0.488 179 HZ2 LYS 26 1HZ LYS 26 -1.674 -12.818 1.645 180 HZ3 LYS 26 2HZ LYS 26 -1.272 -12.666 0.068 181 H ARG 27 H ARG 27 -2.067 -5.762 3.791 182 HA ARG 27 HA ARG 27 -4.839 -6.362 4.353 183 HB2 ARG 27 1HB ARG 27 -2.998 -6.559 6.021 184 HB3 ARG 27 2HB ARG 27 -2.804 -4.807 6.015 185 HG2 ARG 27 1HG ARG 27 -4.052 -5.531 7.970 186 HG3 ARG 27 2HG ARG 27 -5.074 -4.523 6.945 187 HD2 ARG 27 1HD ARG 27 -6.207 -6.530 6.062 188 HD3 ARG 27 2HD ARG 27 -5.121 -7.572 7.008 189 HE ARG 27 HE ARG 27 -6.346 -5.802 8.828 190 HH11 ARG 27 2HH1 ARG 27 -7.393 -8.430 6.759 191 HH12 ARG 27 1HH1 ARG 27 -8.774 -8.785 7.759 192 HH21 ARG 27 2HH2 ARG 27 -8.107 -6.340 10.080 193 HH22 ARG 27 1HH2 ARG 27 -9.144 -7.648 9.597 194 H HIS 28 H HIS 28 -3.163 -3.258 3.702 195 HA HIS 28 HA HIS 28 -5.456 -1.562 4.051 196 HB2 HIS 28 1HB HIS 28 -3.353 -0.498 3.817 197 HB3 HIS 28 2HB HIS 28 -2.967 -1.347 2.332 198 HD1 HIS 28 1HD HIS 28 -4.943 1.677 3.529 199 HD2 HIS 28 2HD HIS 28 -4.037 -0.451 0.024 200 HE1 HIS 28 1HE HIS 28 -5.723 3.143 1.614 201 H VAL 29 H VAL 29 -4.310 -3.326 1.109 202 HA VAL 29 HA VAL 29 -6.485 -2.468 -0.541 203 HB VAL 29 HB VAL 29 -4.736 -4.944 -0.772 204 HG11 VAL 29 1HG1 VAL 29 -5.393 -4.919 -3.173 205 HG12 VAL 29 2HG1 VAL 29 -6.771 -5.262 -2.127 206 HG13 VAL 29 3HG1 VAL 29 -6.576 -3.638 -2.828 207 HG21 VAL 29 3HG2 VAL 29 -4.606 -2.237 -2.196 208 HG22 VAL 29 1HG2 VAL 29 -3.500 -2.765 -0.918 209 HG23 VAL 29 2HG2 VAL 29 -3.522 -3.618 -2.459 210 H ILE 30 H ILE 30 -6.195 -5.410 1.499 211 HA ILE 30 HA ILE 30 -8.748 -6.516 0.881 212 HB ILE 30 HB ILE 30 -6.936 -6.703 3.306 213 HG12 ILE 30 1HG1 ILE 30 -7.669 -8.794 1.208 214 HG13 ILE 30 2HG1 ILE 30 -6.305 -7.712 1.017 215 HG21 ILE 30 1HG2 ILE 30 -8.305 -8.651 4.074 216 HG22 ILE 30 2HG2 ILE 30 -9.187 -7.142 4.178 217 HG23 ILE 30 3HG2 ILE 30 -9.516 -8.264 2.838 218 HD11 ILE 30 3HD1 ILE 30 -6.625 -9.808 3.199 219 HD12 ILE 30 1HD1 ILE 30 -5.485 -9.803 1.850 220 HD13 ILE 30 2HD1 ILE 30 -5.318 -8.602 3.147 221 H GLN 31 H GLN 31 -7.875 -4.118 3.421 222 HA GLN 31 HA GLN 31 -10.597 -4.099 4.461 223 HB2 GLN 31 1HB GLN 31 -8.112 -2.466 5.091 224 HB3 GLN 31 2HB GLN 31 -9.642 -2.271 5.942 225 HG2 GLN 31 1HG GLN 31 -8.084 -4.894 5.815 226 HG3 GLN 31 2HG GLN 31 -8.016 -3.739 7.140 227 HE21 GLN 31 1HE2 GLN 31 -10.122 -3.307 8.344 228 HE22 GLN 31 2HE2 GLN 31 -11.281 -4.626 8.405 229 H LYS 32 H LYS 32 -8.834 -1.954 2.248 230 HA LYS 32 HA LYS 32 -11.048 0.053 2.403 231 HB2 LYS 32 1HB LYS 32 -8.214 0.349 1.341 232 HB3 LYS 32 2HB LYS 32 -9.392 1.636 1.544 233 HG2 LYS 32 1HG LYS 32 -8.104 0.028 3.793 234 HG3 LYS 32 2HG LYS 32 -7.732 1.686 3.320 235 HD2 LYS 32 1HD LYS 32 -10.059 2.373 3.914 236 HD3 LYS 32 2HD LYS 32 -10.383 0.717 4.478 237 HE2 LYS 32 1HE LYS 32 -8.531 0.904 6.113 238 HE3 LYS 32 2HE LYS 32 -8.197 2.549 5.557 239 HZ1 LYS 32 3HZ LYS 32 -9.590 2.557 7.547 240 HZ2 LYS 32 1HZ LYS 32 -10.745 1.668 6.814 241 HZ3 LYS 32 2HZ LYS 32 -10.429 3.188 6.300 242 H HIS 33 H HIS 33 -9.910 -2.286 0.142 243 HA HIS 33 HA HIS 33 -11.374 -0.904 -2.070 244 HB2 HIS 33 1HB HIS 33 -8.653 -2.241 -2.273 245 HB3 HIS 33 2HB HIS 33 -9.559 -1.506 -3.586 246 HD1 HIS 33 1HD HIS 33 -10.261 1.320 -2.488 247 HD2 HIS 33 2HD HIS 33 -6.637 -0.697 -1.846 248 HE1 HIS 33 1HE HIS 33 -8.559 3.122 -1.950 249 H SER 34 H SER 34 -11.699 -2.302 -3.977 250 HA SER 34 HA SER 34 -12.816 -4.010 -4.941 251 HB2 SER 34 1HB SER 34 -10.736 -5.682 -3.511 252 HB3 SER 34 2HB SER 34 -11.642 -6.133 -4.966 253 HG SER 34 HG SER 34 -9.623 -5.323 -5.537 254 H ASN 35 H ASN 35 -13.908 -3.317 -2.275 255 HA ASN 35 HA ASN 35 -14.893 -5.837 -1.157 256 HB2 ASN 35 1HB ASN 35 -15.584 -4.437 0.723 257 HB3 ASN 35 2HB ASN 35 -13.910 -4.134 0.284 258 HD21 ASN 35 1HD2 ASN 35 -17.218 -2.814 0.036 259 HD22 ASN 35 2HD2 ASN 35 -16.685 -1.147 -0.188 260 H ILE 36 H ILE 36 -15.977 -4.870 -3.785 261 HA ILE 36 HA ILE 36 -18.776 -4.198 -3.302 262 HB ILE 36 HB ILE 36 -18.971 -4.515 -5.807 263 HG12 ILE 36 1HG1 ILE 36 -16.966 -4.349 -7.171 264 HG13 ILE 36 2HG1 ILE 36 -15.917 -4.538 -5.774 265 HG21 ILE 36 1HG2 ILE 36 -17.917 -2.345 -6.235 266 HG22 ILE 36 2HG2 ILE 36 -18.742 -2.347 -4.671 267 HG23 ILE 36 3HG2 ILE 36 -16.970 -2.481 -4.740 268 HD11 ILE 36 3HD1 ILE 36 -16.166 -6.581 -7.215 269 HD12 ILE 36 1HD1 ILE 36 -16.572 -6.859 -5.521 270 HD13 ILE 36 2HD1 ILE 36 -17.871 -6.675 -6.732 271 H LEU 37 H LEU 37 -20.544 -5.416 -4.302 272 HA LEU 37 HA LEU 37 -20.356 -8.372 -3.957 273 HB2 LEU 37 1HB LEU 37 -22.434 -6.494 -2.751 274 HB3 LEU 37 2HB LEU 37 -22.567 -8.244 -2.766 275 HG LEU 37 HG LEU 37 -20.373 -6.694 -1.317 276 HD11 LEU 37 1HD1 LEU 37 -22.870 -8.087 -0.264 277 HD12 LEU 37 2HD1 LEU 37 -22.605 -6.330 -0.342 278 HD13 LEU 37 3HD1 LEU 37 -21.597 -7.326 0.717 279 HD21 LEU 37 3HD2 LEU 37 -19.950 -8.864 -0.189 280 HD22 LEU 37 1HD2 LEU 37 -19.644 -8.973 -1.923 281 HD23 LEU 37 2HD2 LEU 37 -21.143 -9.649 -1.250 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 24.619 1.848 14.339 2 H2 GLY 1 2H GLY 1 23.348 0.944 14.844 3 H3 GLY 1 3H GLY 1 24.056 2.006 15.871 4 HA2 GLY 1 1HA GLY 1 23.354 3.876 14.523 5 HA3 GLY 1 2HA GLY 1 22.574 2.724 13.426 6 H SER 2 H SER 2 20.619 3.988 13.871 7 HA SER 2 HA SER 2 19.387 3.861 16.526 8 HB2 SER 2 1HB SER 2 17.573 5.105 15.491 9 HB3 SER 2 2HB SER 2 19.134 5.837 15.095 10 HG SER 2 HG SER 2 17.808 5.668 13.242 11 H SER 3 H SER 3 17.088 3.128 16.716 12 HA SER 3 HA SER 3 16.858 0.338 15.960 13 HB2 SER 3 1HB SER 3 14.902 2.096 17.477 14 HB3 SER 3 2HB SER 3 14.920 0.322 17.425 15 HG SER 3 HG SER 3 15.943 1.140 19.311 16 H GLY 4 H GLY 4 16.199 2.842 13.987 17 HA2 GLY 4 1HA GLY 4 13.497 2.452 13.118 18 HA3 GLY 4 2HA GLY 4 14.778 3.248 12.210 19 H SER 5 H SER 5 12.693 1.544 11.178 20 HA SER 5 HA SER 5 13.733 -1.090 10.570 21 HB2 SER 5 1HB SER 5 11.330 -0.625 10.702 22 HB3 SER 5 2HB SER 5 11.447 0.440 9.286 23 HG SER 5 HG SER 5 10.796 -1.811 8.881 24 H SER 6 H SER 6 14.580 -1.918 8.721 25 HA SER 6 HA SER 6 15.730 -0.096 6.683 26 HB2 SER 6 1HB SER 6 17.014 -2.095 6.003 27 HB3 SER 6 2HB SER 6 17.259 -1.662 7.702 28 HG SER 6 HG SER 6 16.906 -3.922 7.416 29 H GLY 7 H GLY 7 12.822 -1.698 7.048 30 HA2 GLY 7 1HA GLY 7 12.449 -3.045 4.565 31 HA3 GLY 7 2HA GLY 7 11.173 -2.436 5.613 32 H HIS 8 H HIS 8 11.389 -2.481 2.672 33 HA HIS 8 HA HIS 8 11.653 0.318 1.817 34 HB2 HIS 8 1HB HIS 8 10.844 -2.172 0.275 35 HB3 HIS 8 2HB HIS 8 11.182 -0.590 -0.420 36 HD1 HIS 8 1HD HIS 8 12.921 -3.751 0.150 37 HD2 HIS 8 2HD HIS 8 13.870 0.347 0.303 38 HE1 HIS 8 1HE HIS 8 15.459 -3.600 -0.019 39 H LEU 9 H LEU 9 10.010 1.538 0.790 40 HA LEU 9 HA LEU 9 7.269 1.115 1.781 41 HB2 LEU 9 1HB LEU 9 8.606 3.285 0.133 42 HB3 LEU 9 2HB LEU 9 6.866 3.242 0.379 43 HG LEU 9 HG LEU 9 8.851 3.349 2.687 44 HD11 LEU 9 1HD1 LEU 9 8.270 5.741 2.832 45 HD12 LEU 9 2HD1 LEU 9 7.286 5.601 1.356 46 HD13 LEU 9 3HD1 LEU 9 9.046 5.369 1.285 47 HD21 LEU 9 3HD2 LEU 9 5.847 3.900 2.528 48 HD22 LEU 9 1HD2 LEU 9 6.868 4.120 3.964 49 HD23 LEU 9 2HD2 LEU 9 6.608 2.501 3.314 50 H TYR 10 H TYR 10 5.570 0.482 0.683 51 HA TYR 10 HA TYR 10 5.722 -0.047 -2.254 52 HB2 TYR 10 1HB TYR 10 4.368 -1.711 -0.096 53 HB3 TYR 10 2HB TYR 10 4.113 -1.910 -1.824 54 HD1 TYR 10 1HD TYR 10 6.735 -2.115 0.834 55 HD2 TYR 10 2HD TYR 10 5.584 -3.185 -3.181 56 HE1 TYR 10 1HE TYR 10 8.681 -3.667 0.691 57 HE2 TYR 10 2HE TYR 10 7.511 -4.761 -3.312 58 HH TYR 10 HH TYR 10 9.796 -5.214 -0.588 59 H TYR 11 H TYR 11 3.886 0.517 -3.425 60 HA TYR 11 HA TYR 11 2.098 2.487 -2.061 61 HB2 TYR 11 1HB TYR 11 3.260 2.499 -4.863 62 HB3 TYR 11 2HB TYR 11 2.133 3.681 -4.222 63 HD1 TYR 11 1HD TYR 11 5.608 2.337 -3.882 64 HD2 TYR 11 2HD TYR 11 2.867 5.505 -2.843 65 HE1 TYR 11 1HE TYR 11 7.490 3.645 -2.927 66 HE2 TYR 11 2HE TYR 11 4.763 6.820 -1.894 67 HH TYR 11 HH TYR 11 8.132 5.597 -1.909 68 H CYS 12 H CYS 12 -0.045 2.585 -2.521 69 HA CYS 12 HA CYS 12 -1.377 0.189 -3.198 70 HB2 CYS 12 1HB CYS 12 -2.139 1.931 -1.634 71 HB3 CYS 12 2HB CYS 12 -2.424 3.031 -2.994 72 H SER 13 H SER 13 -2.812 -0.327 -4.824 73 HA SER 13 HA SER 13 -2.050 0.493 -7.554 74 HB2 SER 13 1HB SER 13 -3.480 -1.399 -8.225 75 HB3 SER 13 2HB SER 13 -2.244 -1.874 -7.051 76 HG SER 13 HG SER 13 -4.197 -2.773 -6.451 77 H GLN 14 H GLN 14 -4.492 1.294 -5.266 78 HA GLN 14 HA GLN 14 -6.336 2.345 -7.398 79 HB2 GLN 14 1HB GLN 14 -6.866 0.743 -4.884 80 HB3 GLN 14 2HB GLN 14 -8.146 1.648 -5.694 81 HG2 GLN 14 1HG GLN 14 -8.059 0.336 -7.651 82 HG3 GLN 14 2HG GLN 14 -6.462 -0.307 -7.289 83 HE21 GLN 14 1HE2 GLN 14 -6.203 -1.914 -5.608 84 HE22 GLN 14 2HE2 GLN 14 -7.592 -2.913 -5.174 85 H CYS 15 H CYS 15 -4.515 3.327 -4.674 86 HA CYS 15 HA CYS 15 -5.700 5.982 -4.879 87 HB2 CYS 15 1HB CYS 15 -6.243 6.289 -2.571 88 HB3 CYS 15 2HB CYS 15 -7.108 4.879 -3.156 89 H HIS 16 H HIS 16 -4.464 7.281 -2.860 90 HA HIS 16 HA HIS 16 -1.694 7.345 -3.817 91 HB2 HIS 16 1HB HIS 16 -3.397 9.301 -3.483 92 HB3 HIS 16 2HB HIS 16 -2.908 9.235 -1.796 93 HD1 HIS 16 1HD HIS 16 0.204 9.043 -2.036 94 HD2 HIS 16 2HD HIS 16 -2.265 11.344 -4.543 95 HE1 HIS 16 1HE HIS 16 1.694 10.889 -3.012 96 H TYR 17 H TYR 17 -3.099 5.563 -1.381 97 HA TYR 17 HA TYR 17 -1.439 6.039 0.882 98 HB2 TYR 17 1HB TYR 17 -3.595 4.889 0.955 99 HB3 TYR 17 2HB TYR 17 -2.945 3.569 -0.012 100 HD1 TYR 17 1HD TYR 17 -2.745 5.245 3.319 101 HD2 TYR 17 2HD TYR 17 -1.731 1.769 0.974 102 HE1 TYR 17 1HE TYR 17 -2.099 4.023 5.397 103 HE2 TYR 17 2HE TYR 17 -1.113 0.545 3.045 104 HH TYR 17 HH TYR 17 -0.956 0.628 5.342 105 H SER 18 H SER 18 0.248 4.841 1.804 106 HA SER 18 HA SER 18 1.592 2.755 0.278 107 HB2 SER 18 1HB SER 18 3.827 3.724 0.424 108 HB3 SER 18 2HB SER 18 2.753 4.740 -0.546 109 HG SER 18 HG SER 18 2.539 6.149 1.204 110 H SER 19 H SER 19 3.052 1.485 1.514 111 HA SER 19 HA SER 19 3.091 1.878 4.455 112 HB2 SER 19 1HB SER 19 1.041 0.493 3.765 113 HB3 SER 19 2HB SER 19 2.186 -0.765 3.269 114 HG SER 19 HG SER 19 1.739 0.353 5.854 115 H ILE 20 H ILE 20 4.668 0.573 5.550 116 HA ILE 20 HA ILE 20 7.029 -0.078 3.905 117 HB ILE 20 HB ILE 20 6.633 -0.201 6.915 118 HG12 ILE 20 1HG1 ILE 20 8.138 1.810 5.169 119 HG13 ILE 20 2HG1 ILE 20 6.579 2.107 5.941 120 HG21 ILE 20 1HG2 ILE 20 9.104 -0.497 6.999 121 HG22 ILE 20 2HG2 ILE 20 8.354 -1.825 6.136 122 HG23 ILE 20 3HG2 ILE 20 9.157 -0.529 5.223 123 HD11 ILE 20 3HD1 ILE 20 8.242 3.172 7.268 124 HD12 ILE 20 1HD1 ILE 20 7.656 1.768 8.183 125 HD13 ILE 20 2HD1 ILE 20 9.235 1.713 7.357 126 H THR 21 H THR 21 7.472 -1.995 3.174 127 HA THR 21 HA THR 21 7.355 -4.131 2.548 128 HB THR 21 HB THR 21 6.418 -4.806 5.341 129 HG1 THR 21 1HG THR 21 8.618 -5.120 5.674 130 HG21 THR 21 3HG2 THR 21 7.539 -6.983 4.868 131 HG22 THR 21 1HG2 THR 21 7.753 -6.495 3.173 132 HG23 THR 21 2HG2 THR 21 6.123 -6.731 3.851 133 H LYS 22 H LYS 22 6.103 -5.262 1.233 134 HA LYS 22 HA LYS 22 3.477 -4.456 0.684 135 HB2 LYS 22 1HB LYS 22 3.434 -6.245 -0.961 136 HB3 LYS 22 2HB LYS 22 4.971 -5.389 -0.972 137 HG2 LYS 22 1HG LYS 22 6.000 -7.258 0.356 138 HG3 LYS 22 2HG LYS 22 4.455 -8.128 0.274 139 HD2 LYS 22 1HD LYS 22 4.595 -8.140 -2.204 140 HD3 LYS 22 2HD LYS 22 6.135 -7.253 -2.121 141 HE2 LYS 22 1HE LYS 22 7.134 -9.118 -0.815 142 HE3 LYS 22 2HE LYS 22 5.606 -10.004 -0.906 143 HZ1 LYS 22 3HZ LYS 22 7.158 -10.739 -2.623 144 HZ2 LYS 22 1HZ LYS 22 7.274 -9.236 -3.247 145 HZ3 LYS 22 2HZ LYS 22 5.860 -10.054 -3.333 146 H ASN 23 H ASN 23 4.410 -6.948 2.921 147 HA ASN 23 HA ASN 23 1.924 -8.322 3.171 148 HB2 ASN 23 1HB ASN 23 4.166 -9.059 4.053 149 HB3 ASN 23 2HB ASN 23 4.057 -7.799 5.287 150 HD21 ASN 23 1HD2 ASN 23 3.726 -8.938 7.196 151 HD22 ASN 23 2HD2 ASN 23 2.492 -10.173 7.382 152 H CYS 24 H CYS 24 2.890 -5.132 4.366 153 HA CYS 24 HA CYS 24 0.411 -4.883 5.986 154 HB2 CYS 24 1HB CYS 24 2.788 -3.042 5.522 155 HB3 CYS 24 2HB CYS 24 1.370 -2.623 6.496 156 HG CYS 24 HG CYS 24 3.448 -3.332 8.014 157 H LEU 25 H LEU 25 1.756 -3.699 2.868 158 HA LEU 25 HA LEU 25 -0.360 -1.964 2.285 159 HB2 LEU 25 1HB LEU 25 1.771 -1.990 1.042 160 HB3 LEU 25 2HB LEU 25 1.364 -3.578 0.378 161 HG LEU 25 HG LEU 25 -0.626 -2.581 -0.770 162 HD11 LEU 25 1HD1 LEU 25 -0.744 -0.108 -0.987 163 HD12 LEU 25 2HD1 LEU 25 0.520 0.060 0.249 164 HD13 LEU 25 3HD1 LEU 25 -1.070 -0.633 0.659 165 HD21 LEU 25 3HD2 LEU 25 1.945 -1.140 -1.424 166 HD22 LEU 25 1HD2 LEU 25 0.590 -1.495 -2.517 167 HD23 LEU 25 2HD2 LEU 25 1.581 -2.818 -1.891 168 H LYS 26 H LYS 26 -0.067 -5.491 1.541 169 HA LYS 26 HA LYS 26 -2.521 -5.686 0.112 170 HB2 LYS 26 1HB LYS 26 -2.415 -8.051 0.422 171 HB3 LYS 26 2HB LYS 26 -0.791 -7.434 0.110 172 HG2 LYS 26 1HG LYS 26 -0.328 -7.523 2.571 173 HG3 LYS 26 2HG LYS 26 -1.909 -8.264 2.832 174 HD2 LYS 26 1HD LYS 26 0.338 -9.437 1.135 175 HD3 LYS 26 2HD LYS 26 -0.052 -9.901 2.800 176 HE2 LYS 26 1HE LYS 26 -2.335 -10.595 2.067 177 HE3 LYS 26 2HE LYS 26 -1.908 -10.201 0.396 178 HZ1 LYS 26 3HZ LYS 26 -0.153 -11.891 0.516 179 HZ2 LYS 26 1HZ LYS 26 -1.600 -12.564 0.854 180 HZ3 LYS 26 2HZ LYS 26 -0.546 -12.254 2.060 181 H ARG 27 H ARG 27 -2.016 -5.625 3.598 182 HA ARG 27 HA ARG 27 -4.686 -6.349 4.393 183 HB2 ARG 27 1HB ARG 27 -2.537 -6.233 5.796 184 HB3 ARG 27 2HB ARG 27 -2.771 -4.481 5.861 185 HG2 ARG 27 1HG ARG 27 -5.057 -4.907 6.882 186 HG3 ARG 27 2HG ARG 27 -4.646 -6.628 6.940 187 HD2 ARG 27 1HD ARG 27 -3.224 -4.333 8.356 188 HD3 ARG 27 2HD ARG 27 -4.235 -5.562 9.106 189 HE ARG 27 HE ARG 27 -2.555 -7.263 8.545 190 HH11 ARG 27 2HH1 ARG 27 -1.355 -3.962 8.491 191 HH12 ARG 27 1HH1 ARG 27 0.304 -4.481 8.640 192 HH21 ARG 27 2HH2 ARG 27 -0.421 -7.829 8.708 193 HH22 ARG 27 1HH2 ARG 27 0.807 -6.599 8.750 194 H HIS 28 H HIS 28 -3.236 -3.168 3.597 195 HA HIS 28 HA HIS 28 -5.617 -1.600 4.020 196 HB2 HIS 28 1HB HIS 28 -3.604 -0.406 3.825 197 HB3 HIS 28 2HB HIS 28 -3.106 -1.239 2.369 198 HD1 HIS 28 1HD HIS 28 -5.241 1.708 3.443 199 HD2 HIS 28 2HD HIS 28 -4.109 -0.433 0.009 200 HE1 HIS 28 1HE HIS 28 -5.964 3.134 1.475 201 H VAL 29 H VAL 29 -4.399 -3.285 1.061 202 HA VAL 29 HA VAL 29 -6.614 -2.515 -0.583 203 HB VAL 29 HB VAL 29 -4.855 -4.985 -0.834 204 HG11 VAL 29 1HG1 VAL 29 -6.875 -5.206 -2.232 205 HG12 VAL 29 2HG1 VAL 29 -6.622 -3.569 -2.879 206 HG13 VAL 29 3HG1 VAL 29 -5.470 -4.871 -3.243 207 HG21 VAL 29 3HG2 VAL 29 -3.591 -3.634 -2.476 208 HG22 VAL 29 1HG2 VAL 29 -4.617 -2.227 -2.132 209 HG23 VAL 29 2HG2 VAL 29 -3.533 -2.876 -0.887 210 H ILE 30 H ILE 30 -6.206 -5.397 1.493 211 HA ILE 30 HA ILE 30 -8.695 -6.655 0.904 212 HB ILE 30 HB ILE 30 -6.834 -6.722 3.296 213 HG12 ILE 30 1HG1 ILE 30 -7.451 -8.902 1.264 214 HG13 ILE 30 2HG1 ILE 30 -6.217 -7.702 0.959 215 HG21 ILE 30 1HG2 ILE 30 -9.309 -8.452 2.864 216 HG22 ILE 30 2HG2 ILE 30 -8.049 -8.763 4.075 217 HG23 ILE 30 3HG2 ILE 30 -9.029 -7.317 4.206 218 HD11 ILE 30 3HD1 ILE 30 -6.211 -9.730 3.228 219 HD12 ILE 30 1HD1 ILE 30 -5.146 -9.669 1.817 220 HD13 ILE 30 2HD1 ILE 30 -5.032 -8.410 3.060 221 H GLN 31 H GLN 31 -7.922 -4.126 3.323 222 HA GLN 31 HA GLN 31 -10.634 -4.236 4.441 223 HB2 GLN 31 1HB GLN 31 -8.166 -2.582 5.064 224 HB3 GLN 31 2HB GLN 31 -9.703 -2.410 5.924 225 HG2 GLN 31 1HG GLN 31 -9.639 -4.759 6.628 226 HG3 GLN 31 2HG GLN 31 -8.135 -5.025 5.754 227 HE21 GLN 31 2HE2 GLN 31 -7.964 -5.728 8.313 228 HE22 GLN 31 1HE2 GLN 31 -7.143 -4.500 9.266 229 H LYS 32 H LYS 32 -8.905 -2.004 2.275 230 HA LYS 32 HA LYS 32 -11.144 -0.032 2.475 231 HB2 LYS 32 1HB LYS 32 -8.313 0.353 1.438 232 HB3 LYS 32 2HB LYS 32 -9.509 1.609 1.725 233 HG2 LYS 32 1HG LYS 32 -8.168 -0.108 3.860 234 HG3 LYS 32 2HG LYS 32 -7.837 1.582 3.488 235 HD2 LYS 32 1HD LYS 32 -10.146 2.198 4.165 236 HD3 LYS 32 2HD LYS 32 -10.468 0.502 4.593 237 HE2 LYS 32 1HE LYS 32 -8.604 0.553 6.226 238 HE3 LYS 32 2HE LYS 32 -8.280 2.241 5.811 239 HZ1 LYS 32 3HZ LYS 32 -10.511 2.801 6.620 240 HZ2 LYS 32 1HZ LYS 32 -9.659 2.069 7.802 241 HZ3 LYS 32 2HZ LYS 32 -10.814 1.241 7.003 242 H HIS 33 H HIS 33 -9.959 -2.273 0.147 243 HA HIS 33 HA HIS 33 -11.441 -0.832 -2.019 244 HB2 HIS 33 1HB HIS 33 -8.774 -2.257 -2.277 245 HB3 HIS 33 2HB HIS 33 -9.694 -1.534 -3.590 246 HD1 HIS 33 1HD HIS 33 -10.352 1.315 -2.384 247 HD2 HIS 33 2HD HIS 33 -6.692 -0.721 -2.069 248 HE1 HIS 33 1HE HIS 33 -8.606 3.104 -1.969 249 H SER 34 H SER 34 -12.017 -2.199 -3.883 250 HA SER 34 HA SER 34 -13.608 -4.393 -2.985 251 HB2 SER 34 1HB SER 34 -14.166 -2.923 -4.904 252 HB3 SER 34 2HB SER 34 -12.860 -3.678 -5.841 253 HG SER 34 HG SER 34 -14.935 -4.653 -6.203 254 H ASN 35 H ASN 35 -13.174 -6.457 -2.704 255 HA ASN 35 HA ASN 35 -11.238 -7.940 -4.293 256 HB2 ASN 35 1HB ASN 35 -9.859 -8.689 -2.457 257 HB3 ASN 35 2HB ASN 35 -9.807 -6.935 -2.514 258 HD21 ASN 35 1HD2 ASN 35 -11.121 -5.724 -0.843 259 HD22 ASN 35 2HD2 ASN 35 -11.282 -6.525 0.705 260 H ILE 36 H ILE 36 -11.381 -10.256 -3.940 261 HA ILE 36 HA ILE 36 -13.962 -11.186 -2.770 262 HB ILE 36 HB ILE 36 -14.373 -12.539 -4.772 263 HG12 ILE 36 1HG1 ILE 36 -12.132 -10.959 -6.113 264 HG13 ILE 36 2HG1 ILE 36 -12.027 -12.652 -5.628 265 HG21 ILE 36 1HG2 ILE 36 -15.337 -10.778 -6.099 266 HG22 ILE 36 2HG2 ILE 36 -15.419 -10.291 -4.406 267 HG23 ILE 36 3HG2 ILE 36 -14.185 -9.583 -5.471 268 HD11 ILE 36 3HD1 ILE 36 -13.926 -13.191 -7.165 269 HD12 ILE 36 1HD1 ILE 36 -13.886 -11.506 -7.745 270 HD13 ILE 36 2HD1 ILE 36 -12.485 -12.559 -7.985 271 H LEU 37 H LEU 37 -14.173 -13.489 -2.541 272 HA LEU 37 HA LEU 37 -11.639 -14.959 -2.016 273 HB2 LEU 37 1HB LEU 37 -12.584 -14.150 0.077 274 HB3 LEU 37 2HB LEU 37 -14.195 -14.701 -0.384 275 HG LEU 37 HG LEU 37 -13.452 -17.040 -0.296 276 HD11 LEU 37 1HD1 LEU 37 -10.843 -15.875 0.786 277 HD12 LEU 37 2HD1 LEU 37 -11.036 -16.788 -0.728 278 HD13 LEU 37 3HD1 LEU 37 -11.294 -17.596 0.822 279 HD21 LEU 37 3HD2 LEU 37 -12.880 -15.439 2.233 280 HD22 LEU 37 1HD2 LEU 37 -13.285 -17.171 2.161 281 HD23 LEU 37 2HD2 LEU 37 -14.481 -15.964 1.665 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 26.808 8.680 -2.340 2 H2 GLY 1 2H GLY 1 25.318 8.004 -2.438 3 H3 GLY 1 3H GLY 1 26.316 7.979 -3.737 4 HA2 GLY 1 1HA GLY 1 27.867 6.535 -2.604 5 HA3 GLY 1 2HA GLY 1 26.804 6.576 -1.187 6 H SER 2 H SER 2 27.713 4.323 -2.969 7 HA SER 2 HA SER 2 25.411 3.472 -4.512 8 HB2 SER 2 1HB SER 2 27.917 1.934 -3.754 9 HB3 SER 2 2HB SER 2 26.768 1.526 -5.042 10 HG SER 2 HG SER 2 28.607 2.648 -5.847 11 H SER 3 H SER 3 26.031 3.155 -1.174 12 HA SER 3 HA SER 3 25.144 0.524 -0.624 13 HB2 SER 3 1HB SER 3 24.939 2.986 1.148 14 HB3 SER 3 2HB SER 3 24.886 1.294 1.678 15 HG SER 3 HG SER 3 26.984 2.207 1.913 16 H GLY 4 H GLY 4 23.216 -0.327 0.171 17 HA2 GLY 4 1HA GLY 4 20.710 0.742 -0.848 18 HA3 GLY 4 2HA GLY 4 20.931 -0.712 0.117 19 H SER 5 H SER 5 18.755 0.682 0.618 20 HA SER 5 HA SER 5 19.189 2.056 3.241 21 HB2 SER 5 1HB SER 5 17.265 2.907 1.045 22 HB3 SER 5 2HB SER 5 17.341 3.594 2.677 23 HG SER 5 HG SER 5 18.525 4.834 1.137 24 H SER 6 H SER 6 17.547 1.837 4.776 25 HA SER 6 HA SER 6 16.248 -0.722 4.760 26 HB2 SER 6 1HB SER 6 16.015 1.536 6.779 27 HB3 SER 6 2HB SER 6 15.609 -0.171 7.043 28 HG SER 6 HG SER 6 17.708 0.352 7.824 29 H GLY 7 H GLY 7 15.044 2.224 3.561 30 HA2 GLY 7 1HA GLY 7 12.291 2.093 4.402 31 HA3 GLY 7 2HA GLY 7 12.955 3.080 3.103 32 H HIS 8 H HIS 8 11.858 -0.200 3.894 33 HA HIS 8 HA HIS 8 11.462 -0.994 1.101 34 HB2 HIS 8 1HB HIS 8 10.833 -2.359 3.743 35 HB3 HIS 8 2HB HIS 8 10.535 -3.070 2.159 36 HD1 HIS 8 1HD HIS 8 13.575 -1.916 4.274 37 HD2 HIS 8 2HD HIS 8 12.524 -4.239 0.924 38 HE1 HIS 8 1HE HIS 8 15.683 -3.185 3.593 39 H LEU 9 H LEU 9 10.115 1.125 0.951 40 HA LEU 9 HA LEU 9 7.333 0.962 1.842 41 HB2 LEU 9 1HB LEU 9 8.882 2.911 0.098 42 HB3 LEU 9 2HB LEU 9 7.145 3.001 0.258 43 HG LEU 9 HG LEU 9 8.168 4.629 1.661 44 HD11 LEU 9 1HD1 LEU 9 7.029 2.449 3.441 45 HD12 LEU 9 2HD1 LEU 9 6.061 3.549 2.430 46 HD13 LEU 9 3HD1 LEU 9 7.051 4.191 3.752 47 HD21 LEU 9 3HD2 LEU 9 10.326 3.526 2.125 48 HD22 LEU 9 1HD2 LEU 9 9.506 2.405 3.242 49 HD23 LEU 9 2HD2 LEU 9 9.543 4.143 3.590 50 H TYR 10 H TYR 10 5.562 0.458 0.742 51 HA TYR 10 HA TYR 10 5.682 -0.171 -2.170 52 HB2 TYR 10 1HB TYR 10 4.277 -1.797 -0.019 53 HB3 TYR 10 2HB TYR 10 4.075 -2.014 -1.753 54 HD1 TYR 10 1HD TYR 10 6.500 -2.330 1.040 55 HD2 TYR 10 2HD TYR 10 5.715 -3.137 -3.121 56 HE1 TYR 10 1HE TYR 10 8.485 -3.845 0.957 57 HE2 TYR 10 2HE TYR 10 7.696 -4.645 -3.203 58 HH TYR 10 HH TYR 10 9.447 -5.561 -2.034 59 H TYR 11 H TYR 11 3.800 0.314 -3.333 60 HA TYR 11 HA TYR 11 2.061 2.387 -2.055 61 HB2 TYR 11 1HB TYR 11 3.336 2.328 -4.812 62 HB3 TYR 11 2HB TYR 11 2.200 3.539 -4.246 63 HD1 TYR 11 2HD TYR 11 5.616 2.102 -3.573 64 HD2 TYR 11 1HD TYR 11 2.953 5.472 -3.118 65 HE1 TYR 11 2HE TYR 11 7.476 3.444 -2.606 66 HE2 TYR 11 1HE TYR 11 4.824 6.821 -2.183 67 HH TYR 11 HH TYR 11 7.035 6.844 -1.563 68 H CYS 12 H CYS 12 -0.064 2.534 -2.610 69 HA CYS 12 HA CYS 12 -1.411 0.179 -3.512 70 HB2 CYS 12 1HB CYS 12 -2.164 1.780 -1.782 71 HB3 CYS 12 2HB CYS 12 -2.447 2.991 -3.042 72 H SER 13 H SER 13 -2.884 -0.081 -5.164 73 HA SER 13 HA SER 13 -2.084 1.069 -7.786 74 HB2 SER 13 1HB SER 13 -3.276 -0.867 -8.729 75 HB3 SER 13 2HB SER 13 -1.990 -1.344 -7.606 76 HG SER 13 HG SER 13 -3.930 -2.513 -7.231 77 H GLN 14 H GLN 14 -4.598 1.401 -5.468 78 HA GLN 14 HA GLN 14 -6.446 2.565 -7.538 79 HB2 GLN 14 1HB GLN 14 -7.178 1.120 -4.966 80 HB3 GLN 14 2HB GLN 14 -8.299 1.911 -6.084 81 HG2 GLN 14 1HG GLN 14 -7.430 0.360 -7.909 82 HG3 GLN 14 2HG GLN 14 -6.564 -0.524 -6.651 83 HE21 GLN 14 1HE2 GLN 14 -8.053 -2.264 -7.729 84 HE22 GLN 14 2HE2 GLN 14 -9.656 -2.436 -7.004 85 H CYS 15 H CYS 15 -4.640 3.369 -4.717 86 HA CYS 15 HA CYS 15 -5.803 6.060 -4.760 87 HB2 CYS 15 1HB CYS 15 -6.332 6.179 -2.440 88 HB3 CYS 15 2HB CYS 15 -7.182 4.799 -3.117 89 H HIS 16 H HIS 16 -4.553 7.281 -2.762 90 HA HIS 16 HA HIS 16 -1.778 7.346 -3.716 91 HB2 HIS 16 1HB HIS 16 -1.653 9.478 -2.602 92 HB3 HIS 16 2HB HIS 16 -3.122 9.394 -3.563 93 HD1 HIS 16 1HD HIS 16 -2.027 9.268 0.147 94 HD2 HIS 16 2HD HIS 16 -5.427 9.756 -2.286 95 HE1 HIS 16 1HE HIS 16 -3.928 9.956 1.706 96 H TYR 17 H TYR 17 -3.107 5.430 -1.406 97 HA TYR 17 HA TYR 17 -1.509 5.876 0.908 98 HB2 TYR 17 1HB TYR 17 -3.601 4.616 0.897 99 HB3 TYR 17 2HB TYR 17 -2.877 3.379 -0.126 100 HD1 TYR 17 1HD TYR 17 -3.041 4.767 3.292 101 HD2 TYR 17 2HD TYR 17 -1.320 1.716 0.770 102 HE1 TYR 17 1HE TYR 17 -2.369 3.475 5.311 103 HE2 TYR 17 2HE TYR 17 -0.632 0.433 2.798 104 HH TYR 17 HH TYR 17 -1.377 1.577 6.110 105 H SER 18 H SER 18 0.319 4.952 1.716 106 HA SER 18 HA SER 18 1.660 2.764 0.369 107 HB2 SER 18 1HB SER 18 3.854 3.827 0.210 108 HB3 SER 18 2HB SER 18 2.660 4.664 -0.794 109 HG SER 18 HG SER 18 3.953 6.138 0.392 110 H SER 19 H SER 19 3.136 1.643 1.697 111 HA SER 19 HA SER 19 3.752 2.615 4.376 112 HB2 SER 19 1HB SER 19 1.414 1.602 4.554 113 HB3 SER 19 2HB SER 19 2.170 0.028 4.239 114 HG SER 19 HG SER 19 2.002 0.549 6.494 115 H ILE 20 H ILE 20 4.979 0.902 5.632 116 HA ILE 20 HA ILE 20 7.113 -0.200 3.948 117 HB ILE 20 HB ILE 20 6.728 -0.268 6.961 118 HG12 ILE 20 1HG1 ILE 20 8.551 1.452 5.210 119 HG13 ILE 20 2HG1 ILE 20 7.078 2.016 5.997 120 HG21 ILE 20 1HG2 ILE 20 9.110 -0.980 7.050 121 HG22 ILE 20 2HG2 ILE 20 8.137 -2.166 6.215 122 HG23 ILE 20 3HG2 ILE 20 9.159 -1.049 5.276 123 HD11 ILE 20 3HD1 ILE 20 8.905 2.773 7.307 124 HD12 ILE 20 1HD1 ILE 20 8.103 1.485 8.227 125 HD13 ILE 20 2HD1 ILE 20 9.641 1.169 7.380 126 H THR 21 H THR 21 7.467 -2.254 3.499 127 HA THR 21 HA THR 21 7.111 -4.294 2.829 128 HB THR 21 HB THR 21 7.612 -5.023 5.009 129 HG1 THR 21 1HG THR 21 6.816 -7.041 4.709 130 HG21 THR 21 3HG2 THR 21 4.622 -4.981 5.582 131 HG22 THR 21 1HG2 THR 21 5.930 -4.212 6.512 132 HG23 THR 21 2HG2 THR 21 5.793 -5.967 6.487 133 H LYS 22 H LYS 22 5.948 -5.571 1.591 134 HA LYS 22 HA LYS 22 3.444 -4.583 0.591 135 HB2 LYS 22 1HB LYS 22 5.232 -5.753 -0.702 136 HB3 LYS 22 2HB LYS 22 4.775 -7.275 0.081 137 HG2 LYS 22 1HG LYS 22 2.492 -7.075 -0.895 138 HG3 LYS 22 2HG LYS 22 2.940 -5.538 -1.647 139 HD2 LYS 22 1HD LYS 22 4.233 -8.243 -2.225 140 HD3 LYS 22 2HD LYS 22 2.967 -7.485 -3.201 141 HE2 LYS 22 1HE LYS 22 4.464 -5.540 -3.632 142 HE3 LYS 22 2HE LYS 22 5.747 -6.331 -2.704 143 HZ1 LYS 22 3HZ LYS 22 4.521 -7.427 -5.181 144 HZ2 LYS 22 1HZ LYS 22 5.707 -8.153 -4.324 145 HZ3 LYS 22 2HZ LYS 22 5.997 -6.742 -5.087 146 H ASN 23 H ASN 23 4.151 -6.864 3.155 147 HA ASN 23 HA ASN 23 1.604 -8.179 3.302 148 HB2 ASN 23 1HB ASN 23 3.672 -8.844 4.549 149 HB3 ASN 23 2HB ASN 23 3.526 -7.399 5.551 150 HD21 ASN 23 1HD2 ASN 23 2.116 -10.565 4.818 151 HD22 ASN 23 2HD2 ASN 23 1.107 -10.622 6.251 152 H CYS 24 H CYS 24 2.692 -5.002 4.570 153 HA CYS 24 HA CYS 24 0.182 -4.432 5.928 154 HB2 CYS 24 1HB CYS 24 2.475 -3.483 6.506 155 HB3 CYS 24 2HB CYS 24 2.356 -2.489 5.044 156 HG CYS 24 HG CYS 24 0.313 -2.649 7.674 157 H LEU 25 H LEU 25 1.590 -3.523 2.733 158 HA LEU 25 HA LEU 25 -0.580 -2.000 1.872 159 HB2 LEU 25 1HB LEU 25 1.619 -2.042 0.754 160 HB3 LEU 25 2HB LEU 25 1.324 -3.705 0.229 161 HG LEU 25 HG LEU 25 -0.631 -2.933 -1.119 162 HD11 LEU 25 1HD1 LEU 25 -1.260 -0.893 0.126 163 HD12 LEU 25 2HD1 LEU 25 -0.904 -0.516 -1.548 164 HD13 LEU 25 3HD1 LEU 25 0.300 -0.141 -0.297 165 HD21 LEU 25 3HD2 LEU 25 1.664 -3.119 -2.079 166 HD22 LEU 25 1HD2 LEU 25 1.884 -1.382 -1.755 167 HD23 LEU 25 2HD2 LEU 25 0.632 -1.927 -2.887 168 H LYS 26 H LYS 26 -0.065 -5.545 1.512 169 HA LYS 26 HA LYS 26 -2.458 -6.148 0.088 170 HB2 LYS 26 1HB LYS 26 -0.542 -7.690 0.444 171 HB3 LYS 26 2HB LYS 26 -0.971 -7.838 2.154 172 HG2 LYS 26 1HG LYS 26 -3.152 -8.831 1.529 173 HG3 LYS 26 2HG LYS 26 -2.767 -8.619 -0.190 174 HD2 LYS 26 1HD LYS 26 -0.827 -10.147 0.061 175 HD3 LYS 26 2HD LYS 26 -1.208 -10.350 1.786 176 HE2 LYS 26 1HE LYS 26 -3.436 -11.272 1.182 177 HE3 LYS 26 2HE LYS 26 -3.064 -11.063 -0.534 178 HZ1 LYS 26 3HZ LYS 26 -2.633 -13.340 0.192 179 HZ2 LYS 26 1HZ LYS 26 -1.572 -12.842 1.325 180 HZ3 LYS 26 2HZ LYS 26 -1.228 -12.647 -0.260 181 H ARG 27 H ARG 27 -1.920 -5.904 3.614 182 HA ARG 27 HA ARG 27 -4.633 -6.444 4.389 183 HB2 ARG 27 1HB ARG 27 -2.563 -6.543 5.792 184 HB3 ARG 27 2HB ARG 27 -2.539 -4.777 5.854 185 HG2 ARG 27 1HG ARG 27 -4.721 -4.766 6.998 186 HG3 ARG 27 2HG ARG 27 -4.837 -6.527 6.854 187 HD2 ARG 27 1HD ARG 27 -2.675 -5.028 8.411 188 HD3 ARG 27 2HD ARG 27 -4.117 -5.748 9.112 189 HE ARG 27 HE ARG 27 -3.318 -7.939 8.677 190 HH11 ARG 27 2HH1 ARG 27 -0.812 -5.587 7.902 191 HH12 ARG 27 1HH1 ARG 27 0.367 -6.868 7.640 192 HH21 ARG 27 2HH2 ARG 27 -1.663 -9.440 8.438 193 HH22 ARG 27 1HH2 ARG 27 -0.071 -8.862 7.972 194 H HIS 28 H HIS 28 -3.056 -3.321 3.556 195 HA HIS 28 HA HIS 28 -5.377 -1.677 3.947 196 HB2 HIS 28 1HB HIS 28 -3.331 -0.553 3.646 197 HB3 HIS 28 2HB HIS 28 -2.921 -1.438 2.189 198 HD1 HIS 28 1HD HIS 28 -4.959 1.572 3.294 199 HD2 HIS 28 2HD HIS 28 -4.065 -0.666 -0.148 200 HE1 HIS 28 1HE HIS 28 -5.817 2.939 1.343 201 H VAL 29 H VAL 29 -4.285 -3.434 0.971 202 HA VAL 29 HA VAL 29 -6.512 -2.630 -0.625 203 HB VAL 29 HB VAL 29 -4.731 -5.087 -0.842 204 HG11 VAL 29 1HG1 VAL 29 -6.802 -5.533 -2.099 205 HG12 VAL 29 2HG1 VAL 29 -6.695 -3.930 -2.868 206 HG13 VAL 29 3HG1 VAL 29 -5.483 -5.180 -3.215 207 HG21 VAL 29 3HG2 VAL 29 -3.580 -2.867 -1.132 208 HG22 VAL 29 1HG2 VAL 29 -3.614 -3.814 -2.617 209 HG23 VAL 29 2HG2 VAL 29 -4.738 -2.458 -2.405 210 H ILE 30 H ILE 30 -6.157 -5.498 1.499 211 HA ILE 30 HA ILE 30 -8.756 -6.596 1.011 212 HB ILE 30 HB ILE 30 -6.882 -6.729 3.399 213 HG12 ILE 30 1HG1 ILE 30 -7.610 -8.891 1.379 214 HG13 ILE 30 2HG1 ILE 30 -6.273 -7.793 1.111 215 HG21 ILE 30 1HG2 ILE 30 -8.250 -8.657 4.208 216 HG22 ILE 30 2HG2 ILE 30 -9.142 -7.151 4.272 217 HG23 ILE 30 3HG2 ILE 30 -9.460 -8.307 2.958 218 HD11 ILE 30 3HD1 ILE 30 -5.206 -8.571 3.234 219 HD12 ILE 30 1HD1 ILE 30 -6.500 -9.780 3.404 220 HD13 ILE 30 2HD1 ILE 30 -5.411 -9.847 2.016 221 H GLN 31 H GLN 31 -7.691 -4.254 3.544 222 HA GLN 31 HA GLN 31 -10.291 -4.110 4.723 223 HB2 GLN 31 1HB GLN 31 -8.178 -3.796 5.935 224 HB3 GLN 31 2HB GLN 31 -7.841 -2.332 5.012 225 HG2 GLN 31 1HG GLN 31 -8.616 -1.774 7.243 226 HG3 GLN 31 2HG GLN 31 -9.773 -1.199 6.058 227 HE21 GLN 31 1HE2 GLN 31 -11.850 -2.423 5.839 228 HE22 GLN 31 2HE2 GLN 31 -12.401 -3.371 7.221 229 H LYS 32 H LYS 32 -8.705 -1.993 2.342 230 HA LYS 32 HA LYS 32 -10.981 -0.056 2.481 231 HB2 LYS 32 1HB LYS 32 -8.188 0.237 1.299 232 HB3 LYS 32 2HB LYS 32 -9.398 1.507 1.415 233 HG2 LYS 32 1HG LYS 32 -8.043 0.123 3.774 234 HG3 LYS 32 2HG LYS 32 -7.697 1.736 3.149 235 HD2 LYS 32 1HD LYS 32 -10.033 2.441 3.701 236 HD3 LYS 32 2HD LYS 32 -10.314 0.847 4.439 237 HE2 LYS 32 1HE LYS 32 -8.451 1.237 6.021 238 HE3 LYS 32 2HE LYS 32 -8.136 2.809 5.278 239 HZ1 LYS 32 3HZ LYS 32 -9.501 3.037 7.274 240 HZ2 LYS 32 1HZ LYS 32 -10.663 2.070 6.661 241 HZ3 LYS 32 2HZ LYS 32 -10.357 3.523 5.975 242 H HIS 33 H HIS 33 -9.557 -2.301 0.203 243 HA HIS 33 HA HIS 33 -11.411 -1.264 -1.918 244 HB2 HIS 33 1HB HIS 33 -8.683 -2.527 -2.312 245 HB3 HIS 33 2HB HIS 33 -9.723 -1.838 -3.551 246 HD1 HIS 33 1HD HIS 33 -10.363 0.999 -2.356 247 HD2 HIS 33 2HD HIS 33 -6.643 -0.938 -2.176 248 HE1 HIS 33 1HE HIS 33 -8.649 2.836 -2.002 249 H SER 34 H SER 34 -10.667 -4.002 -0.029 250 HA SER 34 HA SER 34 -11.070 -6.189 -0.098 251 HB2 SER 34 1HB SER 34 -13.412 -6.848 -0.398 252 HB3 SER 34 2HB SER 34 -13.167 -5.442 0.634 253 HG SER 34 HG SER 34 -13.793 -4.106 -1.104 254 H ASN 35 H ASN 35 -9.638 -5.411 -2.373 255 HA ASN 35 HA ASN 35 -8.911 -6.012 -4.392 256 HB2 ASN 35 1HB ASN 35 -8.529 -8.092 -2.993 257 HB3 ASN 35 2HB ASN 35 -9.955 -8.787 -3.765 258 HD21 ASN 35 2HD2 ASN 35 -8.617 -10.485 -4.655 259 HD22 ASN 35 1HD2 ASN 35 -7.535 -10.144 -5.998 260 H ILE 36 H ILE 36 -11.636 -4.936 -4.378 261 HA ILE 36 HA ILE 36 -12.911 -6.146 -6.763 262 HB ILE 36 HB ILE 36 -13.668 -3.730 -5.089 263 HG12 ILE 36 1HG1 ILE 36 -13.888 -5.741 -3.756 264 HG13 ILE 36 2HG1 ILE 36 -15.466 -5.105 -4.161 265 HG21 ILE 36 1HG2 ILE 36 -15.185 -5.111 -7.342 266 HG22 ILE 36 2HG2 ILE 36 -15.905 -3.952 -6.204 267 HG23 ILE 36 3HG2 ILE 36 -14.616 -3.428 -7.283 268 HD11 ILE 36 3HD1 ILE 36 -15.455 -7.542 -4.280 269 HD12 ILE 36 1HD1 ILE 36 -15.735 -6.880 -5.898 270 HD13 ILE 36 2HD1 ILE 36 -14.134 -7.528 -5.456 271 H LEU 37 H LEU 37 -13.029 -5.195 -8.756 272 HA LEU 37 HA LEU 37 -11.769 -2.627 -9.340 273 HB2 LEU 37 1HB LEU 37 -10.285 -3.557 -11.101 274 HB3 LEU 37 2HB LEU 37 -9.826 -3.953 -9.461 275 HG LEU 37 HG LEU 37 -10.712 -6.270 -9.760 276 HD11 LEU 37 1HD1 LEU 37 -11.053 -7.075 -12.107 277 HD12 LEU 37 2HD1 LEU 37 -11.084 -5.383 -12.655 278 HD13 LEU 37 3HD1 LEU 37 -12.338 -6.005 -11.556 279 HD21 LEU 37 3HD2 LEU 37 -8.341 -5.699 -10.102 280 HD22 LEU 37 1HD2 LEU 37 -8.664 -5.341 -11.814 281 HD23 LEU 37 2HD2 LEU 37 -8.853 -6.996 -11.191 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 11.899 19.559 -4.896 2 H2 GLY 1 2H GLY 1 12.253 17.966 -5.063 3 H3 GLY 1 3H GLY 1 10.696 18.469 -5.122 4 HA2 GLY 1 1HA GLY 1 11.086 19.681 -7.159 5 HA3 GLY 1 2HA GLY 1 12.782 19.164 -7.090 6 H SER 2 H SER 2 10.812 18.663 -9.211 7 HA SER 2 HA SER 2 9.725 16.027 -9.078 8 HB2 SER 2 1HB SER 2 9.375 16.338 -11.519 9 HB3 SER 2 2HB SER 2 8.806 17.700 -10.540 10 HG SER 2 HG SER 2 10.012 18.383 -12.385 11 H SER 3 H SER 3 12.987 16.995 -9.734 12 HA SER 3 HA SER 3 13.817 14.565 -11.115 13 HB2 SER 3 1HB SER 3 16.093 15.491 -10.709 14 HB3 SER 3 2HB SER 3 14.997 16.623 -11.516 15 HG SER 3 HG SER 3 16.177 17.607 -9.790 16 H GLY 4 H GLY 4 12.973 15.123 -7.870 17 HA2 GLY 4 1HA GLY 4 14.935 13.531 -6.485 18 HA3 GLY 4 2HA GLY 4 13.353 14.018 -5.886 19 H SER 5 H SER 5 14.248 11.644 -5.123 20 HA SER 5 HA SER 5 12.412 9.695 -6.374 21 HB2 SER 5 1HB SER 5 14.697 9.456 -7.448 22 HB3 SER 5 2HB SER 5 15.322 8.989 -5.855 23 HG SER 5 HG SER 5 14.682 7.186 -7.176 24 H SER 6 H SER 6 12.298 7.667 -5.019 25 HA SER 6 HA SER 6 12.820 7.984 -2.137 26 HB2 SER 6 1HB SER 6 10.603 9.169 -2.709 27 HB3 SER 6 2HB SER 6 9.963 7.559 -3.070 28 HG SER 6 HG SER 6 10.867 8.655 -0.612 29 H GLY 7 H GLY 7 11.858 6.020 -0.927 30 HA2 GLY 7 1HA GLY 7 11.578 3.495 -2.299 31 HA3 GLY 7 2HA GLY 7 13.225 3.707 -1.701 32 H HIS 8 H HIS 8 12.518 1.715 -0.532 33 HA HIS 8 HA HIS 8 11.907 0.535 1.270 34 HB2 HIS 8 1HB HIS 8 13.485 2.376 2.170 35 HB3 HIS 8 2HB HIS 8 12.055 3.037 2.949 36 HD1 HIS 8 1HD HIS 8 10.745 0.848 4.456 37 HD2 HIS 8 2HD HIS 8 14.874 0.837 3.691 38 HE1 HIS 8 1HE HIS 8 11.800 -0.676 6.237 39 H LEU 9 H LEU 9 9.707 1.854 -0.270 40 HA LEU 9 HA LEU 9 7.461 1.307 1.593 41 HB2 LEU 9 1HB LEU 9 7.820 3.777 -0.157 42 HB3 LEU 9 2HB LEU 9 6.265 3.287 0.499 43 HG LEU 9 HG LEU 9 8.675 4.011 2.221 44 HD11 LEU 9 1HD1 LEU 9 7.460 6.106 2.656 45 HD12 LEU 9 2HD1 LEU 9 6.199 5.629 1.496 46 HD13 LEU 9 3HD1 LEU 9 7.857 5.944 0.939 47 HD21 LEU 9 3HD2 LEU 9 6.990 4.164 4.031 48 HD22 LEU 9 1HD2 LEU 9 7.074 2.527 3.378 49 HD23 LEU 9 2HD2 LEU 9 5.730 3.596 2.914 50 H TYR 10 H TYR 10 5.632 0.543 0.664 51 HA TYR 10 HA TYR 10 5.632 -0.091 -2.260 52 HB2 TYR 10 1HB TYR 10 4.321 -1.601 0.032 53 HB3 TYR 10 2HB TYR 10 4.144 -1.971 -1.681 54 HD1 TYR 10 1HD TYR 10 6.511 -1.975 1.173 55 HD2 TYR 10 2HD TYR 10 5.889 -3.090 -2.944 56 HE1 TYR 10 1HE TYR 10 8.577 -3.394 1.238 57 HE2 TYR 10 2HE TYR 10 7.925 -4.520 -2.869 58 HH TYR 10 HH TYR 10 9.675 -5.279 -1.598 59 H TYR 11 H TYR 11 3.809 0.476 -3.413 60 HA TYR 11 HA TYR 11 2.019 2.458 -2.070 61 HB2 TYR 11 1HB TYR 11 3.160 2.392 -4.883 62 HB3 TYR 11 2HB TYR 11 1.984 3.557 -4.300 63 HD1 TYR 11 1HD TYR 11 5.500 2.341 -3.792 64 HD2 TYR 11 2HD TYR 11 2.648 5.510 -3.112 65 HE1 TYR 11 1HE TYR 11 7.321 3.791 -2.932 66 HE2 TYR 11 2HE TYR 11 4.482 6.966 -2.260 67 HH TYR 11 HH TYR 11 7.883 5.851 -2.087 68 H CYS 12 H CYS 12 -0.126 2.526 -2.482 69 HA CYS 12 HA CYS 12 -1.496 0.148 -3.186 70 HB2 CYS 12 1HB CYS 12 -2.244 1.862 -1.595 71 HB3 CYS 12 2HB CYS 12 -2.463 3.014 -2.922 72 H SER 13 H SER 13 -2.938 -0.304 -4.838 73 HA SER 13 HA SER 13 -2.147 0.612 -7.534 74 HB2 SER 13 1HB SER 13 -3.492 -1.310 -8.298 75 HB3 SER 13 2HB SER 13 -2.225 -1.773 -7.152 76 HG SER 13 HG SER 13 -4.224 -2.769 -6.649 77 H GLN 14 H GLN 14 -4.604 1.352 -5.258 78 HA GLN 14 HA GLN 14 -6.364 2.480 -7.422 79 HB2 GLN 14 1HB GLN 14 -7.200 1.140 -4.829 80 HB3 GLN 14 2HB GLN 14 -8.281 1.982 -5.949 81 HG2 GLN 14 1HG GLN 14 -7.536 0.356 -7.756 82 HG3 GLN 14 2HG GLN 14 -6.684 -0.548 -6.503 83 HE21 GLN 14 1HE2 GLN 14 -8.176 -2.320 -7.329 84 HE22 GLN 14 2HE2 GLN 14 -9.787 -2.390 -6.624 85 H CYS 15 H CYS 15 -4.578 3.347 -4.591 86 HA CYS 15 HA CYS 15 -5.645 6.070 -4.804 87 HB2 CYS 15 1HB CYS 15 -6.249 6.337 -2.517 88 HB3 CYS 15 2HB CYS 15 -7.123 4.952 -3.147 89 H HIS 16 H HIS 16 -4.448 7.312 -2.761 90 HA HIS 16 HA HIS 16 -1.677 7.391 -3.688 91 HB2 HIS 16 1HB HIS 16 -3.382 9.331 -3.295 92 HB3 HIS 16 2HB HIS 16 -2.907 9.208 -1.605 93 HD1 HIS 16 1HD HIS 16 0.216 9.025 -1.857 94 HD2 HIS 16 2HD HIS 16 -2.268 11.439 -4.234 95 HE1 HIS 16 1HE HIS 16 1.696 10.926 -2.737 96 H TYR 17 H TYR 17 -3.093 5.563 -1.274 97 HA TYR 17 HA TYR 17 -1.426 5.971 0.989 98 HB2 TYR 17 1HB TYR 17 -3.566 4.795 1.040 99 HB3 TYR 17 2HB TYR 17 -2.913 3.513 0.027 100 HD1 TYR 17 1HD TYR 17 -2.938 4.971 3.426 101 HD2 TYR 17 2HD TYR 17 -1.421 1.802 0.923 102 HE1 TYR 17 1HE TYR 17 -2.256 3.695 5.452 103 HE2 TYR 17 2HE TYR 17 -0.723 0.534 2.953 104 HH TYR 17 HH TYR 17 -1.307 1.779 6.266 105 H SER 18 H SER 18 0.358 4.920 1.815 106 HA SER 18 HA SER 18 1.622 2.743 0.377 107 HB2 SER 18 1HB SER 18 3.861 3.744 0.266 108 HB3 SER 18 2HB SER 18 2.698 4.622 -0.734 109 HG SER 18 HG SER 18 2.562 6.213 0.868 110 H SER 19 H SER 19 3.124 1.544 1.607 111 HA SER 19 HA SER 19 3.590 2.282 4.427 112 HB2 SER 19 1HB SER 19 2.673 0.185 5.302 113 HB3 SER 19 2HB SER 19 1.430 1.176 4.533 114 HG SER 19 HG SER 19 1.269 -1.015 3.922 115 H ILE 20 H ILE 20 5.003 0.769 5.570 116 HA ILE 20 HA ILE 20 7.205 -0.229 3.892 117 HB ILE 20 HB ILE 20 6.825 -0.292 6.912 118 HG12 ILE 20 1HG1 ILE 20 8.477 1.604 5.174 119 HG13 ILE 20 2HG1 ILE 20 6.975 2.020 5.996 120 HG21 ILE 20 1HG2 ILE 20 8.370 -2.062 6.151 121 HG22 ILE 20 2HG2 ILE 20 9.287 -0.878 5.196 122 HG23 ILE 20 3HG2 ILE 20 9.264 -0.808 6.974 123 HD11 ILE 20 3HD1 ILE 20 9.627 1.373 7.316 124 HD12 ILE 20 1HD1 ILE 20 8.751 2.907 7.294 125 HD13 ILE 20 2HD1 ILE 20 8.084 1.534 8.198 126 H THR 21 H THR 21 7.606 -2.315 3.447 127 HA THR 21 HA THR 21 7.319 -4.485 2.987 128 HB THR 21 HB THR 21 5.958 -4.717 5.679 129 HG1 THR 21 1HG THR 21 8.035 -5.283 6.325 130 HG21 THR 21 3HG2 THR 21 5.542 -6.739 4.375 131 HG22 THR 21 1HG2 THR 21 6.791 -7.067 5.573 132 HG23 THR 21 2HG2 THR 21 7.250 -6.813 3.874 133 H LYS 22 H LYS 22 6.160 -5.389 1.459 134 HA LYS 22 HA LYS 22 3.632 -4.403 0.698 135 HB2 LYS 22 1HB LYS 22 5.444 -5.451 -0.722 136 HB3 LYS 22 2HB LYS 22 4.869 -7.037 -0.195 137 HG2 LYS 22 1HG LYS 22 2.650 -6.563 -1.198 138 HG3 LYS 22 2HG LYS 22 3.185 -4.926 -1.630 139 HD2 LYS 22 1HD LYS 22 4.937 -5.886 -3.104 140 HD3 LYS 22 2HD LYS 22 4.403 -7.525 -2.668 141 HE2 LYS 22 1HE LYS 22 2.144 -7.023 -3.584 142 HE3 LYS 22 2HE LYS 22 2.681 -5.398 -4.024 143 HZ1 LYS 22 3HZ LYS 22 4.314 -6.418 -5.525 144 HZ2 LYS 22 1HZ LYS 22 2.811 -6.914 -5.916 145 HZ3 LYS 22 2HZ LYS 22 3.816 -7.921 -5.117 146 H ASN 23 H ASN 23 4.314 -7.174 2.756 147 HA ASN 23 HA ASN 23 1.693 -8.331 2.717 148 HB2 ASN 23 1HB ASN 23 3.832 -9.387 3.570 149 HB3 ASN 23 2HB ASN 23 3.727 -8.338 4.987 150 HD21 ASN 23 1HD2 ASN 23 3.202 -9.768 6.641 151 HD22 ASN 23 2HD2 ASN 23 1.858 -10.893 6.552 152 H CYS 24 H CYS 24 2.862 -5.404 4.308 153 HA CYS 24 HA CYS 24 0.482 -5.140 6.028 154 HB2 CYS 24 1HB CYS 24 2.721 -3.188 5.343 155 HB3 CYS 24 2HB CYS 24 1.459 -2.937 6.557 156 HG CYS 24 HG CYS 24 3.812 -3.561 7.652 157 H LEU 25 H LEU 25 1.720 -3.684 2.961 158 HA LEU 25 HA LEU 25 -0.475 -2.076 2.373 159 HB2 LEU 25 1HB LEU 25 1.669 -2.011 1.157 160 HB3 LEU 25 2HB LEU 25 1.357 -3.618 0.503 161 HG LEU 25 HG LEU 25 -0.638 -2.731 -0.721 162 HD11 LEU 25 1HD1 LEU 25 -0.853 -0.273 -0.985 163 HD12 LEU 25 2HD1 LEU 25 0.375 -0.030 0.279 164 HD13 LEU 25 3HD1 LEU 25 -1.194 -0.776 0.669 165 HD21 LEU 25 3HD2 LEU 25 1.914 -1.215 -1.295 166 HD22 LEU 25 1HD2 LEU 25 0.612 -1.611 -2.438 167 HD23 LEU 25 2HD2 LEU 25 1.611 -2.906 -1.760 168 H LYS 26 H LYS 26 -0.023 -5.556 1.713 169 HA LYS 26 HA LYS 26 -2.316 -6.218 0.273 170 HB2 LYS 26 1HB LYS 26 -0.455 -7.740 1.043 171 HB3 LYS 26 2HB LYS 26 -1.173 -7.734 2.654 172 HG2 LYS 26 1HG LYS 26 -3.302 -8.705 1.584 173 HG3 LYS 26 2HG LYS 26 -2.371 -8.837 0.084 174 HD2 LYS 26 1HD LYS 26 -2.222 -10.977 1.104 175 HD3 LYS 26 2HD LYS 26 -0.658 -10.210 1.417 176 HE2 LYS 26 1HE LYS 26 -1.626 -9.484 3.695 177 HE3 LYS 26 2HE LYS 26 -3.024 -10.502 3.328 178 HZ1 LYS 26 3HZ LYS 26 -0.209 -11.366 3.675 179 HZ2 LYS 26 1HZ LYS 26 -1.381 -12.380 3.108 180 HZ3 LYS 26 2HZ LYS 26 -1.473 -11.763 4.619 181 H ARG 27 H ARG 27 -2.153 -5.769 3.832 182 HA ARG 27 HA ARG 27 -4.937 -6.355 4.295 183 HB2 ARG 27 1HB ARG 27 -3.074 -6.520 5.975 184 HB3 ARG 27 2HB ARG 27 -3.021 -4.751 6.050 185 HG2 ARG 27 1HG ARG 27 -5.360 -4.703 6.862 186 HG3 ARG 27 2HG ARG 27 -5.462 -6.469 6.702 187 HD2 ARG 27 1HD ARG 27 -3.649 -6.717 8.373 188 HD3 ARG 27 2HD ARG 27 -3.553 -4.950 8.529 189 HE ARG 27 HE ARG 27 -6.245 -5.732 9.004 190 HH11 ARG 27 2HH1 ARG 27 -3.153 -6.075 10.619 191 HH12 ARG 27 1HH1 ARG 27 -3.887 -6.189 12.196 192 HH21 ARG 27 2HH2 ARG 27 -7.114 -5.885 11.043 193 HH22 ARG 27 1HH2 ARG 27 -6.071 -6.083 12.421 194 H HIS 28 H HIS 28 -3.286 -3.265 3.592 195 HA HIS 28 HA HIS 28 -5.598 -1.570 3.947 196 HB2 HIS 28 1HB HIS 28 -3.483 -0.512 3.731 197 HB3 HIS 28 2HB HIS 28 -3.094 -1.352 2.244 198 HD1 HIS 28 1HD HIS 28 -4.985 1.700 3.443 199 HD2 HIS 28 2HD HIS 28 -4.238 -0.500 -0.060 200 HE1 HIS 28 1HE HIS 28 -5.766 3.169 1.528 201 H VAL 29 H VAL 29 -4.450 -3.501 1.137 202 HA VAL 29 HA VAL 29 -6.611 -2.718 -0.590 203 HB VAL 29 HB VAL 29 -4.923 -5.237 -0.730 204 HG11 VAL 29 1HG1 VAL 29 -6.553 -3.832 -2.882 205 HG12 VAL 29 2HG1 VAL 29 -5.515 -5.250 -3.108 206 HG13 VAL 29 3HG1 VAL 29 -6.978 -5.388 -2.129 207 HG21 VAL 29 3HG2 VAL 29 -4.601 -2.535 -2.125 208 HG22 VAL 29 1HG2 VAL 29 -3.539 -3.164 -0.856 209 HG23 VAL 29 2HG2 VAL 29 -3.613 -3.982 -2.411 210 H ILE 30 H ILE 30 -6.362 -5.474 1.733 211 HA ILE 30 HA ILE 30 -8.981 -6.507 1.167 212 HB ILE 30 HB ILE 30 -7.678 -6.517 3.913 213 HG12 ILE 30 1HG1 ILE 30 -5.980 -7.500 2.632 214 HG13 ILE 30 2HG1 ILE 30 -6.848 -8.819 3.350 215 HG21 ILE 30 1HG2 ILE 30 -8.977 -8.623 4.197 216 HG22 ILE 30 2HG2 ILE 30 -10.014 -7.226 3.941 217 HG23 ILE 30 3HG2 ILE 30 -9.725 -8.361 2.608 218 HD11 ILE 30 3HD1 ILE 30 -6.243 -9.353 1.069 219 HD12 ILE 30 1HD1 ILE 30 -8.011 -9.221 1.165 220 HD13 ILE 30 2HD1 ILE 30 -7.045 -7.904 0.450 221 H GLN 31 H GLN 31 -7.941 -3.994 3.504 222 HA GLN 31 HA GLN 31 -10.528 -3.677 4.656 223 HB2 GLN 31 1HB GLN 31 -8.333 -3.233 5.763 224 HB3 GLN 31 2HB GLN 31 -8.106 -1.832 4.720 225 HG2 GLN 31 1HG GLN 31 -8.850 -1.082 6.880 226 HG3 GLN 31 2HG GLN 31 -10.130 -0.765 5.724 227 HE21 GLN 31 1HE2 GLN 31 -11.361 -0.589 7.889 228 HE22 GLN 31 2HE2 GLN 31 -12.027 -2.088 8.520 229 H LYS 32 H LYS 32 -8.865 -1.750 2.146 230 HA LYS 32 HA LYS 32 -11.228 0.086 1.964 231 HB2 LYS 32 1HB LYS 32 -8.353 0.447 1.030 232 HB3 LYS 32 2HB LYS 32 -9.626 1.658 0.938 233 HG2 LYS 32 1HG LYS 32 -8.398 0.529 3.490 234 HG3 LYS 32 2HG LYS 32 -8.127 2.121 2.785 235 HD2 LYS 32 1HD LYS 32 -10.587 2.636 3.117 236 HD3 LYS 32 2HD LYS 32 -10.754 1.077 3.927 237 HE2 LYS 32 1HE LYS 32 -10.544 2.636 5.666 238 HE3 LYS 32 2HE LYS 32 -8.989 1.806 5.584 239 HZ1 LYS 32 3HZ LYS 32 -9.571 4.489 4.429 240 HZ2 LYS 32 1HZ LYS 32 -8.114 3.749 4.370 241 HZ3 LYS 32 2HZ LYS 32 -8.735 4.222 5.800 242 H HIS 33 H HIS 33 -9.676 -2.353 0.071 243 HA HIS 33 HA HIS 33 -11.156 -1.475 -2.369 244 HB2 HIS 33 1HB HIS 33 -8.299 -2.470 -2.292 245 HB3 HIS 33 2HB HIS 33 -9.189 -1.928 -3.709 246 HD1 HIS 33 1HD HIS 33 -10.121 0.878 -3.165 247 HD2 HIS 33 2HD HIS 33 -6.610 -0.716 -1.511 248 HE1 HIS 33 1HE HIS 33 -8.723 2.880 -2.459 249 H SER 34 H SER 34 -12.082 -3.458 -0.550 250 HA SER 34 HA SER 34 -11.376 -6.116 -1.151 251 HB2 SER 34 1HB SER 34 -13.578 -6.684 -0.154 252 HB3 SER 34 2HB SER 34 -12.654 -5.525 0.812 253 HG SER 34 HG SER 34 -14.862 -4.905 0.574 254 H ASN 35 H ASN 35 -13.438 -3.977 -3.021 255 HA ASN 35 HA ASN 35 -14.508 -6.102 -4.735 256 HB2 ASN 35 1HB ASN 35 -15.777 -4.028 -4.184 257 HB3 ASN 35 2HB ASN 35 -14.571 -3.074 -5.051 258 HD21 ASN 35 1HD2 ASN 35 -16.639 -2.426 -6.225 259 HD22 ASN 35 2HD2 ASN 35 -17.113 -3.438 -7.583 260 H ILE 36 H ILE 36 -12.247 -6.960 -4.996 261 HA ILE 36 HA ILE 36 -10.987 -5.906 -7.455 262 HB ILE 36 HB ILE 36 -9.733 -5.188 -5.469 263 HG12 ILE 36 1HG1 ILE 36 -8.206 -7.255 -7.079 264 HG13 ILE 36 2HG1 ILE 36 -8.727 -5.678 -7.683 265 HG21 ILE 36 1HG2 ILE 36 -8.534 -6.731 -4.021 266 HG22 ILE 36 2HG2 ILE 36 -10.248 -7.117 -3.947 267 HG23 ILE 36 3HG2 ILE 36 -9.158 -8.135 -4.912 268 HD11 ILE 36 3HD1 ILE 36 -6.771 -6.172 -5.396 269 HD12 ILE 36 1HD1 ILE 36 -6.402 -5.533 -7.005 270 HD13 ILE 36 2HD1 ILE 36 -7.379 -4.569 -5.879 271 H LEU 37 H LEU 37 -10.185 -7.400 -8.875 272 HA LEU 37 HA LEU 37 -11.178 -10.189 -8.576 273 HB2 LEU 37 1HB LEU 37 -10.569 -8.475 -11.021 274 HB3 LEU 37 2HB LEU 37 -10.939 -10.179 -11.090 275 HG LEU 37 HG LEU 37 -12.844 -8.970 -11.745 276 HD11 LEU 37 1HD1 LEU 37 -14.551 -9.863 -10.279 277 HD12 LEU 37 2HD1 LEU 37 -13.393 -10.019 -8.946 278 HD13 LEU 37 3HD1 LEU 37 -13.218 -11.023 -10.404 279 HD21 LEU 37 3HD2 LEU 37 -12.400 -6.828 -10.535 280 HD22 LEU 37 1HD2 LEU 37 -13.034 -7.587 -9.053 281 HD23 LEU 37 2HD2 LEU 37 -14.079 -7.388 -10.464 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 12.196 23.809 -9.074 2 H2 GLY 1 2H GLY 1 10.585 24.086 -8.955 3 H3 GLY 1 3H GLY 1 11.175 23.189 -10.193 4 HA2 GLY 1 1HA GLY 1 11.235 22.435 -7.341 5 HA3 GLY 1 2HA GLY 1 10.146 21.754 -8.564 6 H SER 2 H SER 2 10.985 19.654 -8.076 7 HA SER 2 HA SER 2 13.388 18.944 -9.639 8 HB2 SER 2 1HB SER 2 14.258 19.326 -7.361 9 HB3 SER 2 2HB SER 2 13.072 18.179 -6.709 10 HG SER 2 HG SER 2 15.217 17.301 -7.136 11 H SER 3 H SER 3 13.432 16.794 -10.315 12 HA SER 3 HA SER 3 10.890 15.286 -10.263 13 HB2 SER 3 1HB SER 3 12.022 13.871 -11.948 14 HB3 SER 3 2HB SER 3 11.959 15.581 -12.406 15 HG SER 3 HG SER 3 14.040 14.655 -12.763 16 H GLY 4 H GLY 4 13.730 15.365 -8.380 17 HA2 GLY 4 1HA GLY 4 14.053 12.534 -7.841 18 HA3 GLY 4 2HA GLY 4 14.759 13.867 -6.936 19 H SER 5 H SER 5 13.542 11.369 -6.002 20 HA SER 5 HA SER 5 11.622 12.456 -3.998 21 HB2 SER 5 1HB SER 5 11.217 9.902 -5.606 22 HB3 SER 5 2HB SER 5 10.265 10.384 -4.193 23 HG SER 5 HG SER 5 9.259 10.959 -6.186 24 H SER 6 H SER 6 11.745 11.532 -1.979 25 HA SER 6 HA SER 6 14.118 9.848 -1.412 26 HB2 SER 6 1HB SER 6 13.815 10.686 0.891 27 HB3 SER 6 2HB SER 6 14.005 11.980 -0.304 28 HG SER 6 HG SER 6 12.277 12.392 1.168 29 H GLY 7 H GLY 7 10.747 9.356 -1.651 30 HA2 GLY 7 1HA GLY 7 10.285 7.570 0.536 31 HA3 GLY 7 2HA GLY 7 9.294 7.717 -0.910 32 H HIS 8 H HIS 8 10.271 5.390 0.717 33 HA HIS 8 HA HIS 8 11.246 3.663 -1.515 34 HB2 HIS 8 1HB HIS 8 12.753 2.544 0.028 35 HB3 HIS 8 2HB HIS 8 13.124 4.259 -0.084 36 HD1 HIS 8 1HD HIS 8 11.718 1.703 2.422 37 HD2 HIS 8 2HD HIS 8 12.805 5.757 2.119 38 HE1 HIS 8 1HE HIS 8 11.722 2.620 4.807 39 H LEU 9 H LEU 9 8.599 4.166 0.094 40 HA LEU 9 HA LEU 9 7.951 1.523 1.212 41 HB2 LEU 9 1HB LEU 9 6.479 4.165 0.902 42 HB3 LEU 9 2HB LEU 9 5.637 2.692 1.343 43 HG LEU 9 HG LEU 9 6.983 2.412 3.352 44 HD11 LEU 9 1HD1 LEU 9 8.258 5.083 2.625 45 HD12 LEU 9 2HD1 LEU 9 9.090 3.516 2.810 46 HD13 LEU 9 3HD1 LEU 9 8.368 4.294 4.212 47 HD21 LEU 9 3HD2 LEU 9 4.868 3.672 3.431 48 HD22 LEU 9 1HD2 LEU 9 5.739 5.177 3.077 49 HD23 LEU 9 2HD2 LEU 9 6.026 4.318 4.603 50 H TYR 10 H TYR 10 6.051 0.324 0.511 51 HA TYR 10 HA TYR 10 5.784 0.094 -2.431 52 HB2 TYR 10 1HB TYR 10 4.522 -1.503 -0.169 53 HB3 TYR 10 2HB TYR 10 4.366 -1.846 -1.888 54 HD1 TYR 10 2HD TYR 10 6.342 -2.596 -3.231 55 HD2 TYR 10 1HD TYR 10 6.524 -2.119 1.050 56 HE1 TYR 10 2HE TYR 10 8.438 -3.941 -3.175 57 HE2 TYR 10 1HE TYR 10 8.635 -3.474 1.102 58 HH TYR 10 HH TYR 10 10.096 -4.834 -1.865 59 H TYR 11 H TYR 11 4.145 1.043 -3.543 60 HA TYR 11 HA TYR 11 2.077 2.556 -2.031 61 HB2 TYR 11 1HB TYR 11 3.315 2.876 -4.764 62 HB3 TYR 11 2HB TYR 11 1.765 3.600 -4.384 63 HD1 TYR 11 1HD TYR 11 5.344 3.523 -3.269 64 HD2 TYR 11 2HD TYR 11 1.571 5.620 -3.173 65 HE1 TYR 11 1HE TYR 11 6.449 5.458 -2.170 66 HE2 TYR 11 2HE TYR 11 2.687 7.566 -2.089 67 HH TYR 11 HH TYR 11 6.184 7.571 -1.308 68 H CYS 12 H CYS 12 -0.053 2.510 -2.464 69 HA CYS 12 HA CYS 12 -1.312 0.085 -3.263 70 HB2 CYS 12 1HB CYS 12 -2.118 1.717 -1.603 71 HB3 CYS 12 2HB CYS 12 -2.363 2.910 -2.886 72 H SER 13 H SER 13 -2.556 -0.429 -5.003 73 HA SER 13 HA SER 13 -1.845 0.747 -7.610 74 HB2 SER 13 1HB SER 13 -3.678 -1.579 -6.923 75 HB3 SER 13 2HB SER 13 -3.128 -1.122 -8.545 76 HG SER 13 HG SER 13 -1.850 -2.803 -7.655 77 H GLN 14 H GLN 14 -4.297 1.325 -5.308 78 HA GLN 14 HA GLN 14 -6.205 2.369 -7.385 79 HB2 GLN 14 1HB GLN 14 -6.743 0.791 -4.845 80 HB3 GLN 14 2HB GLN 14 -7.998 1.631 -5.766 81 HG2 GLN 14 1HG GLN 14 -7.482 0.292 -7.770 82 HG3 GLN 14 2HG GLN 14 -6.195 -0.552 -6.906 83 HE21 GLN 14 1HE2 GLN 14 -6.743 -2.243 -5.435 84 HE22 GLN 14 2HE2 GLN 14 -8.399 -2.813 -5.300 85 H CYS 15 H CYS 15 -4.384 3.294 -4.613 86 HA CYS 15 HA CYS 15 -5.537 5.964 -4.782 87 HB2 CYS 15 1HB CYS 15 -6.144 6.213 -2.478 88 HB3 CYS 15 2HB CYS 15 -7.012 4.834 -3.134 89 H HIS 16 H HIS 16 -4.346 7.191 -2.679 90 HA HIS 16 HA HIS 16 -1.546 7.234 -3.554 91 HB2 HIS 16 1HB HIS 16 -3.223 9.213 -3.244 92 HB3 HIS 16 2HB HIS 16 -2.788 9.113 -1.541 93 HD1 HIS 16 1HD HIS 16 0.306 8.890 -1.645 94 HD2 HIS 16 2HD HIS 16 -1.998 11.213 -4.282 95 HE1 HIS 16 1HE HIS 16 1.876 10.702 -2.561 96 H TYR 17 H TYR 17 -3.042 5.427 -1.200 97 HA TYR 17 HA TYR 17 -1.413 5.773 1.118 98 HB2 TYR 17 1HB TYR 17 -3.579 4.619 1.070 99 HB3 TYR 17 2HB TYR 17 -2.898 3.352 0.056 100 HD1 TYR 17 1HD TYR 17 -3.064 4.729 3.479 101 HD2 TYR 17 2HD TYR 17 -1.447 1.620 0.964 102 HE1 TYR 17 1HE TYR 17 -2.492 3.381 5.502 103 HE2 TYR 17 2HE TYR 17 -0.876 0.279 2.982 104 HH TYR 17 HH TYR 17 -0.862 0.203 5.265 105 H SER 18 H SER 18 0.336 4.579 1.952 106 HA SER 18 HA SER 18 1.679 2.595 0.289 107 HB2 SER 18 1HB SER 18 3.862 3.666 0.325 108 HB3 SER 18 2HB SER 18 2.676 4.693 -0.486 109 HG SER 18 HG SER 18 3.895 5.950 0.933 110 H SER 19 H SER 19 3.326 1.380 1.376 111 HA SER 19 HA SER 19 3.358 1.486 4.357 112 HB2 SER 19 1HB SER 19 2.093 -0.615 2.617 113 HB3 SER 19 2HB SER 19 2.992 -1.159 4.037 114 HG SER 19 HG SER 19 1.091 0.928 4.209 115 H ILE 20 H ILE 20 4.910 0.253 5.394 116 HA ILE 20 HA ILE 20 7.332 -0.476 3.849 117 HB ILE 20 HB ILE 20 6.850 -0.598 6.861 118 HG12 ILE 20 1HG1 ILE 20 8.643 1.276 6.836 119 HG13 ILE 20 2HG1 ILE 20 8.219 1.529 5.152 120 HG21 ILE 20 1HG2 ILE 20 8.565 -2.196 6.073 121 HG22 ILE 20 2HG2 ILE 20 9.395 -0.891 5.196 122 HG23 ILE 20 3HG2 ILE 20 9.311 -0.887 6.969 123 HD11 ILE 20 3HD1 ILE 20 5.933 2.203 5.844 124 HD12 ILE 20 1HD1 ILE 20 6.288 1.725 7.520 125 HD13 ILE 20 2HD1 ILE 20 7.131 3.096 6.778 126 H THR 21 H THR 21 7.735 -2.544 3.313 127 HA THR 21 HA THR 21 7.391 -4.684 2.734 128 HB THR 21 HB THR 21 6.654 -6.386 4.103 129 HG1 THR 21 1HG THR 21 5.316 -4.400 5.574 130 HG21 THR 21 3HG2 THR 21 8.725 -5.260 4.951 131 HG22 THR 21 1HG2 THR 21 7.803 -6.140 6.183 132 HG23 THR 21 2HG2 THR 21 7.711 -4.373 6.115 133 H LYS 22 H LYS 22 5.947 -6.123 1.685 134 HA LYS 22 HA LYS 22 3.557 -4.842 0.609 135 HB2 LYS 22 1HB LYS 22 4.687 -7.648 0.252 136 HB3 LYS 22 2HB LYS 22 3.286 -7.000 -0.613 137 HG2 LYS 22 1HG LYS 22 4.698 -5.162 -1.533 138 HG3 LYS 22 2HG LYS 22 6.117 -5.868 -0.737 139 HD2 LYS 22 1HD LYS 22 5.796 -7.967 -2.032 140 HD3 LYS 22 2HD LYS 22 4.382 -7.247 -2.837 141 HE2 LYS 22 1HE LYS 22 5.833 -5.424 -3.723 142 HE3 LYS 22 2HE LYS 22 7.234 -6.162 -2.935 143 HZ1 LYS 22 3HZ LYS 22 6.900 -8.133 -4.335 144 HZ2 LYS 22 1HZ LYS 22 7.088 -6.812 -5.273 145 HZ3 LYS 22 2HZ LYS 22 5.603 -7.453 -5.062 146 H ASN 23 H ASN 23 4.089 -7.034 3.292 147 HA ASN 23 HA ASN 23 1.466 -8.146 3.488 148 HB2 ASN 23 1HB ASN 23 3.541 -7.521 5.647 149 HB3 ASN 23 2HB ASN 23 2.121 -8.538 5.876 150 HD21 ASN 23 1HD2 ASN 23 2.031 -10.630 4.786 151 HD22 ASN 23 2HD2 ASN 23 3.515 -11.340 4.170 152 H CYS 24 H CYS 24 2.811 -5.135 4.914 153 HA CYS 24 HA CYS 24 0.361 -4.314 6.177 154 HB2 CYS 24 1HB CYS 24 2.878 -2.835 5.350 155 HB3 CYS 24 2HB CYS 24 1.570 -2.095 6.290 156 HG CYS 24 HG CYS 24 3.661 -2.818 7.807 157 H LEU 25 H LEU 25 1.532 -3.914 2.845 158 HA LEU 25 HA LEU 25 -0.503 -2.062 2.141 159 HB2 LEU 25 1HB LEU 25 1.694 -2.217 0.991 160 HB3 LEU 25 2HB LEU 25 1.242 -3.807 0.374 161 HG LEU 25 HG LEU 25 -0.635 -2.795 -0.898 162 HD11 LEU 25 1HD1 LEU 25 0.462 -0.153 0.175 163 HD12 LEU 25 2HD1 LEU 25 -1.164 -0.830 0.468 164 HD13 LEU 25 3HD1 LEU 25 -0.711 -0.315 -1.148 165 HD21 LEU 25 3HD2 LEU 25 1.628 -3.045 -1.901 166 HD22 LEU 25 1HD2 LEU 25 2.008 -1.382 -1.395 167 HD23 LEU 25 2HD2 LEU 25 0.716 -1.689 -2.576 168 H LYS 26 H LYS 26 -0.167 -5.617 1.783 169 HA LYS 26 HA LYS 26 -2.548 -6.101 0.306 170 HB2 LYS 26 1HB LYS 26 -0.982 -7.785 2.299 171 HB3 LYS 26 2HB LYS 26 -2.411 -8.415 1.502 172 HG2 LYS 26 1HG LYS 26 0.038 -7.353 0.024 173 HG3 LYS 26 2HG LYS 26 -0.228 -9.045 0.424 174 HD2 LYS 26 1HD LYS 26 -1.977 -7.360 -1.425 175 HD3 LYS 26 2HD LYS 26 -0.769 -8.550 -1.911 176 HE2 LYS 26 1HE LYS 26 -2.057 -10.326 -0.695 177 HE3 LYS 26 2HE LYS 26 -3.311 -9.134 -0.324 178 HZ1 LYS 26 3HZ LYS 26 -3.866 -10.414 -2.310 179 HZ2 LYS 26 1HZ LYS 26 -2.493 -9.958 -3.062 180 HZ3 LYS 26 2HZ LYS 26 -3.649 -8.851 -2.728 181 H ARG 27 H ARG 27 -2.200 -5.949 3.877 182 HA ARG 27 HA ARG 27 -4.993 -6.423 4.372 183 HB2 ARG 27 1HB ARG 27 -4.626 -5.681 6.621 184 HB3 ARG 27 2HB ARG 27 -3.290 -6.708 6.102 185 HG2 ARG 27 1HG ARG 27 -1.906 -4.690 5.702 186 HG3 ARG 27 2HG ARG 27 -3.242 -3.659 6.261 187 HD2 ARG 27 1HD ARG 27 -3.153 -4.860 8.466 188 HD3 ARG 27 2HD ARG 27 -1.724 -5.738 7.877 189 HE ARG 27 HE ARG 27 -1.440 -2.855 7.616 190 HH11 ARG 27 2HH1 ARG 27 -1.152 -5.398 10.013 191 HH12 ARG 27 1HH1 ARG 27 -0.071 -4.460 11.006 192 HH21 ARG 27 2HH2 ARG 27 -0.065 -1.715 8.935 193 HH22 ARG 27 1HH2 ARG 27 0.527 -2.435 10.402 194 H HIS 28 H HIS 28 -3.336 -3.379 3.570 195 HA HIS 28 HA HIS 28 -5.649 -1.689 3.981 196 HB2 HIS 28 1HB HIS 28 -3.588 -0.576 3.829 197 HB3 HIS 28 2HB HIS 28 -3.094 -1.427 2.376 198 HD1 HIS 28 1HD HIS 28 -5.217 1.546 3.434 199 HD2 HIS 28 2HD HIS 28 -4.058 -0.583 0.002 200 HE1 HIS 28 1HE HIS 28 -5.964 2.956 1.464 201 H VAL 29 H VAL 29 -4.423 -3.397 1.028 202 HA VAL 29 HA VAL 29 -6.576 -2.539 -0.651 203 HB VAL 29 HB VAL 29 -4.847 -5.036 -0.861 204 HG11 VAL 29 1HG1 VAL 29 -5.435 -4.955 -3.284 205 HG12 VAL 29 2HG1 VAL 29 -6.839 -5.304 -2.279 206 HG13 VAL 29 3HG1 VAL 29 -6.611 -3.670 -2.941 207 HG21 VAL 29 3HG2 VAL 29 -3.546 -2.904 -0.942 208 HG22 VAL 29 1HG2 VAL 29 -3.563 -3.715 -2.505 209 HG23 VAL 29 2HG2 VAL 29 -4.612 -2.309 -2.226 210 H ILE 30 H ILE 30 -6.324 -5.409 1.460 211 HA ILE 30 HA ILE 30 -8.888 -6.520 0.828 212 HB ILE 30 HB ILE 30 -7.134 -6.705 3.290 213 HG12 ILE 30 1HG1 ILE 30 -7.762 -8.795 1.151 214 HG13 ILE 30 2HG1 ILE 30 -6.403 -7.695 1.011 215 HG21 ILE 30 1HG2 ILE 30 -9.667 -8.294 2.666 216 HG22 ILE 30 2HG2 ILE 30 -8.537 -8.644 3.989 217 HG23 ILE 30 3HG2 ILE 30 -9.457 -7.152 4.016 218 HD11 ILE 30 3HD1 ILE 30 -5.474 -8.563 3.166 219 HD12 ILE 30 1HD1 ILE 30 -6.773 -9.782 3.192 220 HD13 ILE 30 2HD1 ILE 30 -5.589 -9.775 1.878 221 H GLN 31 H GLN 31 -7.972 -4.262 3.508 222 HA GLN 31 HA GLN 31 -10.678 -4.136 4.480 223 HB2 GLN 31 1HB GLN 31 -8.179 -2.516 5.069 224 HB3 GLN 31 2HB GLN 31 -9.709 -2.286 5.925 225 HG2 GLN 31 1HG GLN 31 -9.700 -4.565 6.755 226 HG3 GLN 31 2HG GLN 31 -8.282 -4.979 5.804 227 HE21 GLN 31 1HE2 GLN 31 -7.780 -5.657 8.228 228 HE22 GLN 31 2HE2 GLN 31 -6.891 -4.437 9.130 229 H LYS 32 H LYS 32 -8.903 -1.986 2.265 230 HA LYS 32 HA LYS 32 -11.121 0.008 2.400 231 HB2 LYS 32 1HB LYS 32 -8.315 0.291 1.266 232 HB3 LYS 32 2HB LYS 32 -9.495 1.574 1.450 233 HG2 LYS 32 1HG LYS 32 -8.064 0.063 3.667 234 HG3 LYS 32 2HG LYS 32 -7.856 1.743 3.210 235 HD2 LYS 32 1HD LYS 32 -10.292 0.500 4.541 236 HD3 LYS 32 2HD LYS 32 -9.121 1.575 5.285 237 HE2 LYS 32 1HE LYS 32 -10.977 2.362 2.986 238 HE3 LYS 32 2HE LYS 32 -11.323 2.634 4.693 239 HZ1 LYS 32 3HZ LYS 32 -9.018 3.814 3.237 240 HZ2 LYS 32 1HZ LYS 32 -9.334 4.030 4.829 241 HZ3 LYS 32 2HZ LYS 32 -10.362 4.608 3.705 242 H HIS 33 H HIS 33 -9.794 -2.243 0.071 243 HA HIS 33 HA HIS 33 -11.458 -0.920 -2.057 244 HB2 HIS 33 1HB HIS 33 -8.797 -2.329 -2.406 245 HB3 HIS 33 2HB HIS 33 -9.754 -1.539 -3.657 246 HD1 HIS 33 1HD HIS 33 -10.326 1.269 -2.399 247 HD2 HIS 33 2HD HIS 33 -6.700 -0.832 -2.125 248 HE1 HIS 33 1HE HIS 33 -8.549 3.021 -1.948 249 H SER 34 H SER 34 -10.625 -4.053 -0.625 250 HA SER 34 HA SER 34 -11.977 -5.554 -2.748 251 HB2 SER 34 1HB SER 34 -11.041 -6.505 -0.026 252 HB3 SER 34 2HB SER 34 -11.585 -7.516 -1.369 253 HG SER 34 HG SER 34 -9.368 -5.721 -1.433 254 H ASN 35 H ASN 35 -13.921 -6.687 -2.614 255 HA ASN 35 HA ASN 35 -15.984 -5.248 -1.156 256 HB2 ASN 35 1HB ASN 35 -16.075 -5.832 -3.594 257 HB3 ASN 35 2HB ASN 35 -16.240 -7.532 -3.147 258 HD21 ASN 35 1HD2 ASN 35 -18.276 -7.272 -4.458 259 HD22 ASN 35 2HD2 ASN 35 -19.694 -6.646 -3.629 260 H ILE 36 H ILE 36 -14.747 -6.244 0.852 261 HA ILE 36 HA ILE 36 -16.216 -8.682 1.780 262 HB ILE 36 HB ILE 36 -14.321 -9.121 3.285 263 HG12 ILE 36 1HG1 ILE 36 -12.099 -8.190 2.799 264 HG13 ILE 36 2HG1 ILE 36 -12.796 -6.993 1.715 265 HG21 ILE 36 1HG2 ILE 36 -14.597 -10.232 1.093 266 HG22 ILE 36 2HG2 ILE 36 -13.564 -8.998 0.339 267 HG23 ILE 36 3HG2 ILE 36 -12.901 -10.088 1.571 268 HD11 ILE 36 3HD1 ILE 36 -13.857 -5.849 3.570 269 HD12 ILE 36 1HD1 ILE 36 -13.455 -7.180 4.687 270 HD13 ILE 36 2HD1 ILE 36 -12.175 -6.157 4.014 271 H LEU 37 H LEU 37 -16.528 -5.513 2.117 272 HA LEU 37 HA LEU 37 -16.855 -5.295 5.031 273 HB2 LEU 37 1HB LEU 37 -17.436 -3.338 2.769 274 HB3 LEU 37 2HB LEU 37 -17.549 -2.968 4.482 275 HG LEU 37 HG LEU 37 -14.977 -3.712 3.015 276 HD11 LEU 37 1HD1 LEU 37 -15.979 -1.052 4.112 277 HD12 LEU 37 2HD1 LEU 37 -15.873 -1.504 2.394 278 HD13 LEU 37 3HD1 LEU 37 -14.396 -1.354 3.359 279 HD21 LEU 37 3HD2 LEU 37 -15.449 -2.788 5.888 280 HD22 LEU 37 1HD2 LEU 37 -13.862 -2.957 5.104 281 HD23 LEU 37 2HD2 LEU 37 -14.857 -4.387 5.384 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 12.700 18.125 3.700 2 H2 GLY 1 2H GLY 1 11.384 18.001 2.737 3 H3 GLY 1 3H GLY 1 11.668 19.390 3.560 4 HA2 GLY 1 1HA GLY 1 12.233 19.680 1.242 5 HA3 GLY 1 2HA GLY 1 13.656 19.829 2.290 6 H SER 2 H SER 2 13.809 19.244 -0.423 7 HA SER 2 HA SER 2 14.749 17.938 -1.978 8 HB2 SER 2 1HB SER 2 15.906 16.341 0.322 9 HB3 SER 2 2HB SER 2 16.444 16.295 -1.362 10 HG SER 2 HG SER 2 17.704 17.733 -0.084 11 H SER 3 H SER 3 14.960 15.787 -3.014 12 HA SER 3 HA SER 3 12.360 14.390 -2.905 13 HB2 SER 3 1HB SER 3 13.414 15.307 -5.018 14 HB3 SER 3 2HB SER 3 14.610 14.002 -4.896 15 HG SER 3 HG SER 3 12.766 13.473 -6.211 16 H GLY 4 H GLY 4 12.532 11.975 -3.520 17 HA2 GLY 4 1HA GLY 4 13.252 9.798 -3.099 18 HA3 GLY 4 2HA GLY 4 14.632 10.402 -2.195 19 H SER 5 H SER 5 13.555 8.264 -1.206 20 HA SER 5 HA SER 5 12.227 9.013 1.323 21 HB2 SER 5 1HB SER 5 10.482 7.307 1.045 22 HB3 SER 5 2HB SER 5 10.355 8.571 -0.184 23 HG SER 5 HG SER 5 10.129 6.518 -1.126 24 H SER 6 H SER 6 12.031 7.040 2.784 25 HA SER 6 HA SER 6 14.342 5.177 2.470 26 HB2 SER 6 1HB SER 6 14.830 5.476 4.853 27 HB3 SER 6 2HB SER 6 15.012 6.978 3.937 28 HG SER 6 HG SER 6 13.875 7.300 5.909 29 H GLY 7 H GLY 7 14.276 3.259 3.762 30 HA2 GLY 7 1HA GLY 7 13.274 1.391 4.707 31 HA3 GLY 7 2HA GLY 7 11.760 2.271 4.891 32 H HIS 8 H HIS 8 11.544 -0.262 4.186 33 HA HIS 8 HA HIS 8 11.551 -0.713 1.305 34 HB2 HIS 8 1HB HIS 8 10.558 -2.449 3.594 35 HB3 HIS 8 2HB HIS 8 10.762 -2.957 1.916 36 HD1 HIS 8 1HD HIS 8 12.598 -3.185 5.037 37 HD2 HIS 8 2HD HIS 8 13.530 -2.402 1.007 38 HE1 HIS 8 1HE HIS 8 15.092 -3.647 4.778 39 H LEU 9 H LEU 9 10.086 1.304 1.158 40 HA LEU 9 HA LEU 9 7.281 1.049 1.784 41 HB2 LEU 9 1HB LEU 9 8.872 2.959 0.046 42 HB3 LEU 9 2HB LEU 9 7.132 3.100 0.241 43 HG LEU 9 HG LEU 9 9.045 3.155 2.610 44 HD11 LEU 9 1HD1 LEU 9 9.542 5.022 1.089 45 HD12 LEU 9 2HD1 LEU 9 8.764 5.601 2.569 46 HD13 LEU 9 3HD1 LEU 9 7.824 5.481 1.063 47 HD21 LEU 9 3HD2 LEU 9 7.130 4.239 3.747 48 HD22 LEU 9 1HD2 LEU 9 6.684 2.631 3.174 49 HD23 LEU 9 2HD2 LEU 9 6.143 4.064 2.278 50 H TYR 10 H TYR 10 5.590 0.457 0.681 51 HA TYR 10 HA TYR 10 5.720 -0.119 -2.242 52 HB2 TYR 10 1HB TYR 10 4.250 -1.705 -0.100 53 HB3 TYR 10 2HB TYR 10 4.027 -1.901 -1.832 54 HD1 TYR 10 1HD TYR 10 6.441 -2.353 0.953 55 HD2 TYR 10 2HD TYR 10 5.599 -3.113 -3.206 56 HE1 TYR 10 1HE TYR 10 8.345 -3.969 0.859 57 HE2 TYR 10 2HE TYR 10 7.478 -4.743 -3.292 58 HH TYR 10 HH TYR 10 9.181 -5.753 -2.132 59 H TYR 11 H TYR 11 3.797 0.388 -3.385 60 HA TYR 11 HA TYR 11 2.099 2.474 -2.064 61 HB2 TYR 11 1HB TYR 11 3.383 2.477 -4.818 62 HB3 TYR 11 2HB TYR 11 2.239 3.671 -4.234 63 HD1 TYR 11 1HD TYR 11 5.670 2.263 -3.640 64 HD2 TYR 11 2HD TYR 11 2.953 5.546 -2.956 65 HE1 TYR 11 1HE TYR 11 7.525 3.597 -2.651 66 HE2 TYR 11 2HE TYR 11 4.816 6.884 -1.995 67 HH TYR 11 HH TYR 11 7.040 6.941 -1.457 68 H CYS 12 H CYS 12 -0.031 2.614 -2.600 69 HA CYS 12 HA CYS 12 -1.337 0.254 -3.506 70 HB2 CYS 12 1HB CYS 12 -2.126 1.843 -1.780 71 HB3 CYS 12 2HB CYS 12 -2.439 3.043 -3.045 72 H SER 13 H SER 13 -2.822 -0.020 -5.129 73 HA SER 13 HA SER 13 -2.009 1.047 -7.786 74 HB2 SER 13 1HB SER 13 -2.113 -1.416 -7.308 75 HB3 SER 13 2HB SER 13 -3.868 -1.261 -7.107 76 HG SER 13 HG SER 13 -3.227 -1.901 -9.243 77 H GLN 14 H GLN 14 -4.622 1.298 -5.476 78 HA GLN 14 HA GLN 14 -6.442 2.505 -7.537 79 HB2 GLN 14 1HB GLN 14 -7.142 1.026 -4.982 80 HB3 GLN 14 2HB GLN 14 -8.287 1.794 -6.089 81 HG2 GLN 14 1HG GLN 14 -7.425 0.284 -7.929 82 HG3 GLN 14 2HG GLN 14 -6.454 -0.558 -6.718 83 HE21 GLN 14 1HE2 GLN 14 -7.795 -2.440 -7.613 84 HE22 GLN 14 2HE2 GLN 14 -9.354 -2.710 -6.845 85 H CYS 15 H CYS 15 -4.615 3.369 -4.772 86 HA CYS 15 HA CYS 15 -5.803 6.038 -4.817 87 HB2 CYS 15 1HB CYS 15 -6.325 6.185 -2.493 88 HB3 CYS 15 2HB CYS 15 -7.177 4.800 -3.150 89 H HIS 16 H HIS 16 -4.547 7.225 -2.760 90 HA HIS 16 HA HIS 16 -1.764 7.302 -3.718 91 HB2 HIS 16 1HB HIS 16 -3.276 9.151 -1.841 92 HB3 HIS 16 2HB HIS 16 -1.674 9.442 -2.515 93 HD1 HIS 16 1HD HIS 16 -1.653 9.650 -5.351 94 HD2 HIS 16 2HD HIS 16 -5.296 10.033 -3.277 95 HE1 HIS 16 1HE HIS 16 -3.281 10.759 -6.969 96 H TYR 17 H TYR 17 -3.119 5.426 -1.388 97 HA TYR 17 HA TYR 17 -1.541 5.888 0.936 98 HB2 TYR 17 1HB TYR 17 -3.623 4.611 0.903 99 HB3 TYR 17 2HB TYR 17 -2.878 3.378 -0.105 100 HD1 TYR 17 1HD TYR 17 -3.071 4.792 3.307 101 HD2 TYR 17 2HD TYR 17 -1.353 1.714 0.819 102 HE1 TYR 17 1HE TYR 17 -2.411 3.516 5.339 103 HE2 TYR 17 2HE TYR 17 -0.674 0.446 2.858 104 HH TYR 17 HH TYR 17 -1.424 1.627 6.162 105 H SER 18 H SER 18 0.268 4.904 1.791 106 HA SER 18 HA SER 18 1.690 2.829 0.319 107 HB2 SER 18 1HB SER 18 3.865 3.933 0.370 108 HB3 SER 18 2HB SER 18 2.704 4.853 -0.601 109 HG SER 18 HG SER 18 3.901 6.224 0.783 110 H SER 19 H SER 19 3.142 1.626 1.560 111 HA SER 19 HA SER 19 3.428 2.170 4.453 112 HB2 SER 19 1HB SER 19 2.574 -0.078 5.067 113 HB3 SER 19 2HB SER 19 1.320 0.983 4.416 114 HG SER 19 HG SER 19 2.732 -0.932 2.843 115 H ILE 20 H ILE 20 5.078 0.930 5.483 116 HA ILE 20 HA ILE 20 7.084 -0.214 3.691 117 HB ILE 20 HB ILE 20 8.456 -0.636 5.572 118 HG12 ILE 20 1HG1 ILE 20 6.984 -1.280 7.352 119 HG13 ILE 20 2HG1 ILE 20 8.019 0.039 7.842 120 HG21 ILE 20 1HG2 ILE 20 7.322 2.180 5.642 121 HG22 ILE 20 2HG2 ILE 20 8.905 1.667 6.251 122 HG23 ILE 20 3HG2 ILE 20 8.546 1.542 4.524 123 HD11 ILE 20 3HD1 ILE 20 5.847 0.387 8.792 124 HD12 ILE 20 1HD1 ILE 20 6.079 1.629 7.553 125 HD13 ILE 20 2HD1 ILE 20 5.044 0.213 7.231 126 H THR 21 H THR 21 7.553 -2.263 3.335 127 HA THR 21 HA THR 21 7.303 -4.456 2.986 128 HB THR 21 HB THR 21 5.961 -4.680 5.692 129 HG1 THR 21 1HG THR 21 8.050 -3.830 5.792 130 HG21 THR 21 3HG2 THR 21 6.842 -7.009 5.602 131 HG22 THR 21 1HG2 THR 21 7.294 -6.761 3.901 132 HG23 THR 21 2HG2 THR 21 5.585 -6.719 4.401 133 H LYS 22 H LYS 22 6.081 -5.513 1.587 134 HA LYS 22 HA LYS 22 3.602 -4.447 0.764 135 HB2 LYS 22 1HB LYS 22 3.563 -6.239 -0.887 136 HB3 LYS 22 2HB LYS 22 5.146 -5.482 -0.764 137 HG2 LYS 22 1HG LYS 22 5.969 -7.396 0.603 138 HG3 LYS 22 2HG LYS 22 4.375 -8.168 0.460 139 HD2 LYS 22 1HD LYS 22 4.633 -8.233 -2.009 140 HD3 LYS 22 2HD LYS 22 6.220 -7.444 -1.864 141 HE2 LYS 22 1HE LYS 22 7.037 -9.349 -0.488 142 HE3 LYS 22 2HE LYS 22 5.460 -10.134 -0.636 143 HZ1 LYS 22 3HZ LYS 22 5.817 -10.244 -3.047 144 HZ2 LYS 22 1HZ LYS 22 7.034 -10.998 -2.269 145 HZ3 LYS 22 2HZ LYS 22 7.274 -9.518 -2.910 146 H ASN 23 H ASN 23 4.050 -6.906 3.169 147 HA ASN 23 HA ASN 23 1.406 -8.041 3.102 148 HB2 ASN 23 1HB ASN 23 3.339 -9.024 4.315 149 HB3 ASN 23 2HB ASN 23 3.344 -7.654 5.432 150 HD21 ASN 23 1HD2 ASN 23 1.496 -10.531 4.398 151 HD22 ASN 23 2HD2 ASN 23 0.519 -10.583 5.855 152 H CYS 24 H CYS 24 2.665 -5.019 4.575 153 HA CYS 24 HA CYS 24 0.223 -4.307 5.965 154 HB2 CYS 24 1HB CYS 24 2.526 -2.620 4.894 155 HB3 CYS 24 2HB CYS 24 1.269 -2.045 5.997 156 HG CYS 24 HG CYS 24 3.853 -2.725 6.922 157 H LEU 25 H LEU 25 1.519 -3.548 2.690 158 HA LEU 25 HA LEU 25 -0.679 -2.025 1.893 159 HB2 LEU 25 1HB LEU 25 1.512 -2.006 0.758 160 HB3 LEU 25 2HB LEU 25 1.225 -3.651 0.172 161 HG LEU 25 HG LEU 25 -0.742 -2.848 -1.129 162 HD11 LEU 25 1HD1 LEU 25 -1.064 -0.412 -1.446 163 HD12 LEU 25 2HD1 LEU 25 0.128 -0.082 -0.171 164 HD13 LEU 25 3HD1 LEU 25 -1.417 -0.883 0.205 165 HD21 LEU 25 3HD2 LEU 25 0.500 -1.681 -2.841 166 HD22 LEU 25 1HD2 LEU 25 1.533 -2.930 -2.129 167 HD23 LEU 25 2HD2 LEU 25 1.761 -1.223 -1.676 168 H LYS 26 H LYS 26 -0.116 -5.562 1.554 169 HA LYS 26 HA LYS 26 -2.555 -6.184 0.213 170 HB2 LYS 26 1HB LYS 26 -0.676 -7.758 0.477 171 HB3 LYS 26 2HB LYS 26 -0.955 -7.835 2.214 172 HG2 LYS 26 1HG LYS 26 -1.823 -9.808 1.098 173 HG3 LYS 26 2HG LYS 26 -3.130 -8.914 1.867 174 HD2 LYS 26 1HD LYS 26 -3.882 -8.040 -0.304 175 HD3 LYS 26 2HD LYS 26 -2.459 -8.748 -1.107 176 HE2 LYS 26 1HE LYS 26 -3.213 -11.015 -0.400 177 HE3 LYS 26 2HE LYS 26 -4.651 -10.307 0.342 178 HZ1 LYS 26 3HZ LYS 26 -5.399 -9.596 -1.846 179 HZ2 LYS 26 1HZ LYS 26 -5.047 -11.178 -1.919 180 HZ3 LYS 26 2HZ LYS 26 -4.004 -10.099 -2.553 181 H ARG 27 H ARG 27 -1.939 -5.894 3.748 182 HA ARG 27 HA ARG 27 -4.697 -6.345 4.499 183 HB2 ARG 27 1HB ARG 27 -2.315 -5.107 5.914 184 HB3 ARG 27 2HB ARG 27 -3.928 -5.131 6.648 185 HG2 ARG 27 1HG ARG 27 -4.067 -7.566 6.392 186 HG3 ARG 27 2HG ARG 27 -2.467 -7.621 5.648 187 HD2 ARG 27 1HD ARG 27 -2.961 -6.532 8.456 188 HD3 ARG 27 2HD ARG 27 -2.660 -8.233 8.125 189 HE ARG 27 HE ARG 27 -0.450 -7.756 7.338 190 HH11 ARG 27 2HH1 ARG 27 -1.850 -4.885 8.816 191 HH12 ARG 27 1HH1 ARG 27 -0.275 -4.201 9.107 192 HH21 ARG 27 2HH2 ARG 27 1.406 -6.889 7.749 193 HH22 ARG 27 1HH2 ARG 27 1.559 -5.281 8.436 194 H HIS 28 H HIS 28 -3.095 -3.341 3.461 195 HA HIS 28 HA HIS 28 -5.414 -1.665 3.944 196 HB2 HIS 28 1HB HIS 28 -3.362 -0.555 3.598 197 HB3 HIS 28 2HB HIS 28 -2.991 -1.449 2.139 198 HD1 HIS 28 1HD HIS 28 -4.967 1.587 3.269 199 HD2 HIS 28 2HD HIS 28 -4.153 -0.673 -0.177 200 HE1 HIS 28 1HE HIS 28 -5.808 2.973 1.323 201 H VAL 29 H VAL 29 -4.332 -3.482 1.026 202 HA VAL 29 HA VAL 29 -6.567 -2.754 -0.606 203 HB VAL 29 HB VAL 29 -4.571 -5.041 -0.751 204 HG11 VAL 29 1HG1 VAL 29 -6.446 -5.797 -2.039 205 HG12 VAL 29 2HG1 VAL 29 -6.649 -4.195 -2.805 206 HG13 VAL 29 3HG1 VAL 29 -5.232 -5.209 -3.167 207 HG21 VAL 29 3HG2 VAL 29 -3.552 -3.696 -2.527 208 HG22 VAL 29 1HG2 VAL 29 -4.825 -2.469 -2.383 209 HG23 VAL 29 2HG2 VAL 29 -3.664 -2.719 -1.068 210 H ILE 30 H ILE 30 -6.160 -5.511 1.608 211 HA ILE 30 HA ILE 30 -8.647 -6.828 1.084 212 HB ILE 30 HB ILE 30 -6.804 -6.658 3.477 213 HG12 ILE 30 1HG1 ILE 30 -7.525 -8.989 1.637 214 HG13 ILE 30 2HG1 ILE 30 -6.178 -7.916 1.334 215 HG21 ILE 30 1HG2 ILE 30 -9.029 -7.034 4.461 216 HG22 ILE 30 2HG2 ILE 30 -9.332 -8.349 3.310 217 HG23 ILE 30 3HG2 ILE 30 -8.079 -8.497 4.555 218 HD11 ILE 30 3HD1 ILE 30 -6.470 -9.774 3.729 219 HD12 ILE 30 1HD1 ILE 30 -5.340 -9.912 2.383 220 HD13 ILE 30 2HD1 ILE 30 -5.168 -8.574 3.534 221 H GLN 31 H GLN 31 -7.912 -4.185 3.412 222 HA GLN 31 HA GLN 31 -10.680 -4.222 4.376 223 HB2 GLN 31 1HB GLN 31 -8.232 -2.585 5.120 224 HB3 GLN 31 2HB GLN 31 -9.800 -2.434 5.920 225 HG2 GLN 31 1HG GLN 31 -9.742 -4.762 6.651 226 HG3 GLN 31 2HG GLN 31 -8.240 -5.051 5.766 227 HE21 GLN 31 1HE2 GLN 31 -6.312 -3.775 6.421 228 HE22 GLN 31 2HE2 GLN 31 -6.162 -3.323 8.127 229 H LYS 32 H LYS 32 -8.687 -1.872 2.550 230 HA LYS 32 HA LYS 32 -10.913 0.088 2.497 231 HB2 LYS 32 1HB LYS 32 -8.071 0.307 1.428 232 HB3 LYS 32 2HB LYS 32 -9.231 1.619 1.598 233 HG2 LYS 32 1HG LYS 32 -7.926 0.053 3.867 234 HG3 LYS 32 2HG LYS 32 -7.590 1.713 3.376 235 HD2 LYS 32 1HD LYS 32 -9.931 2.355 3.984 236 HD3 LYS 32 2HD LYS 32 -10.202 0.701 4.581 237 HE2 LYS 32 1HE LYS 32 -8.333 0.965 6.186 238 HE3 LYS 32 2HE LYS 32 -8.051 2.608 5.593 239 HZ1 LYS 32 3HZ LYS 32 -10.553 1.685 6.908 240 HZ2 LYS 32 1HZ LYS 32 -10.287 3.202 6.360 241 HZ3 LYS 32 2HZ LYS 32 -9.410 2.617 7.604 242 H HIS 33 H HIS 33 -9.489 -2.205 0.317 243 HA HIS 33 HA HIS 33 -11.280 -1.217 -1.863 244 HB2 HIS 33 1HB HIS 33 -8.582 -2.550 -2.206 245 HB3 HIS 33 2HB HIS 33 -9.638 -1.959 -3.485 246 HD1 HIS 33 1HD HIS 33 -10.271 0.937 -2.759 247 HD2 HIS 33 2HD HIS 33 -6.600 -0.917 -1.922 248 HE1 HIS 33 1HE HIS 33 -8.610 2.826 -2.416 249 H SER 34 H SER 34 -11.586 -3.289 0.351 250 HA SER 34 HA SER 34 -12.546 -5.303 0.694 251 HB2 SER 34 1HB SER 34 -14.722 -5.509 -0.386 252 HB3 SER 34 2HB SER 34 -14.367 -3.874 0.170 253 HG SER 34 HG SER 34 -14.193 -4.827 -2.512 254 H ASN 35 H ASN 35 -10.231 -5.856 -0.767 255 HA ASN 35 HA ASN 35 -10.670 -7.494 -3.024 256 HB2 ASN 35 1HB ASN 35 -8.610 -6.323 -2.463 257 HB3 ASN 35 2HB ASN 35 -8.350 -7.363 -1.056 258 HD21 ASN 35 1HD2 ASN 35 -8.827 -7.654 -4.639 259 HD22 ASN 35 2HD2 ASN 35 -7.623 -8.923 -4.790 260 H ILE 36 H ILE 36 -11.421 -8.358 0.165 261 HA ILE 36 HA ILE 36 -11.188 -11.269 -0.267 262 HB ILE 36 HB ILE 36 -12.221 -11.364 2.063 263 HG12 ILE 36 1HG1 ILE 36 -11.915 -9.455 3.532 264 HG13 ILE 36 2HG1 ILE 36 -11.425 -8.420 2.197 265 HG21 ILE 36 1HG2 ILE 36 -10.028 -10.901 3.095 266 HG22 ILE 36 2HG2 ILE 36 -9.881 -11.795 1.576 267 HG23 ILE 36 3HG2 ILE 36 -9.519 -10.060 1.613 268 HD11 ILE 36 3HD1 ILE 36 -13.769 -8.061 2.996 269 HD12 ILE 36 1HD1 ILE 36 -13.675 -8.443 1.275 270 HD13 ILE 36 2HD1 ILE 36 -14.183 -9.696 2.440 271 H LEU 37 H LEU 37 -13.504 -9.004 -1.214 272 HA LEU 37 HA LEU 37 -15.909 -10.408 -0.603 273 HB2 LEU 37 1HB LEU 37 -15.463 -7.946 -0.973 274 HB3 LEU 37 2HB LEU 37 -15.270 -8.269 -2.682 275 HG LEU 37 HG LEU 37 -17.340 -7.235 -2.042 276 HD11 LEU 37 1HD1 LEU 37 -18.884 -8.526 -3.380 277 HD12 LEU 37 2HD1 LEU 37 -17.928 -10.001 -3.156 278 HD13 LEU 37 3HD1 LEU 37 -17.265 -8.642 -4.092 279 HD21 LEU 37 3HD2 LEU 37 -18.122 -9.840 -0.678 280 HD22 LEU 37 1HD2 LEU 37 -19.134 -8.396 -0.870 281 HD23 LEU 37 2HD2 LEU 37 -17.689 -8.328 0.152 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 18.859 14.430 -19.183 2 H2 GLY 1 2H GLY 1 18.939 12.801 -19.027 3 H3 GLY 1 3H GLY 1 20.103 13.744 -18.365 4 HA2 GLY 1 1HA GLY 1 18.540 14.707 -16.814 5 HA3 GLY 1 2HA GLY 1 17.272 13.705 -17.540 6 H SER 2 H SER 2 18.248 13.775 -14.751 7 HA SER 2 HA SER 2 19.699 11.286 -14.264 8 HB2 SER 2 1HB SER 2 19.303 11.866 -11.877 9 HB3 SER 2 2HB SER 2 20.120 13.129 -12.809 10 HG SER 2 HG SER 2 18.435 13.969 -11.482 11 H SER 3 H SER 3 18.906 9.562 -12.909 12 HA SER 3 HA SER 3 16.436 8.447 -13.823 13 HB2 SER 3 1HB SER 3 18.214 7.561 -11.523 14 HB3 SER 3 2HB SER 3 16.965 6.587 -12.322 15 HG SER 3 HG SER 3 19.070 6.158 -13.153 16 H GLY 4 H GLY 4 14.571 7.825 -12.681 17 HA2 GLY 4 1HA GLY 4 13.505 9.685 -10.739 18 HA3 GLY 4 2HA GLY 4 12.736 8.214 -11.322 19 H SER 5 H SER 5 12.471 9.009 -8.709 20 HA SER 5 HA SER 5 13.708 6.798 -7.183 21 HB2 SER 5 1HB SER 5 14.438 8.289 -5.382 22 HB3 SER 5 2HB SER 5 15.274 8.659 -6.894 23 HG SER 5 HG SER 5 14.542 10.557 -5.834 24 H SER 6 H SER 6 12.796 6.646 -4.952 25 HA SER 6 HA SER 6 10.073 7.742 -4.552 26 HB2 SER 6 1HB SER 6 9.056 5.608 -4.241 27 HB3 SER 6 2HB SER 6 9.896 5.536 -5.794 28 HG SER 6 HG SER 6 10.393 3.680 -4.651 29 H GLY 7 H GLY 7 9.231 6.815 -2.329 30 HA2 GLY 7 1HA GLY 7 11.173 7.396 -0.220 31 HA3 GLY 7 2HA GLY 7 9.477 6.950 -0.030 32 H HIS 8 H HIS 8 10.991 4.664 -2.035 33 HA HIS 8 HA HIS 8 11.306 2.477 -1.833 34 HB2 HIS 8 1HB HIS 8 13.383 3.514 -0.701 35 HB3 HIS 8 2HB HIS 8 12.725 2.868 0.798 36 HD1 HIS 8 1HD HIS 8 12.050 0.000 0.301 37 HD2 HIS 8 2HD HIS 8 15.117 1.966 -1.796 38 HE1 HIS 8 1HE HIS 8 13.606 -1.840 -0.584 39 H LEU 9 H LEU 9 8.843 3.526 -0.765 40 HA LEU 9 HA LEU 9 7.962 1.486 1.218 41 HB2 LEU 9 1HB LEU 9 6.476 3.828 -0.040 42 HB3 LEU 9 2HB LEU 9 5.864 2.779 1.230 43 HG LEU 9 HG LEU 9 8.181 4.737 1.484 44 HD11 LEU 9 1HD1 LEU 9 5.960 5.775 1.415 45 HD12 LEU 9 2HD1 LEU 9 6.671 5.902 3.030 46 HD13 LEU 9 3HD1 LEU 9 5.397 4.702 2.715 47 HD21 LEU 9 3HD2 LEU 9 8.118 4.186 3.908 48 HD22 LEU 9 1HD2 LEU 9 8.625 2.805 2.934 49 HD23 LEU 9 2HD2 LEU 9 6.966 2.875 3.571 50 H TYR 10 H TYR 10 5.766 0.523 0.732 51 HA TYR 10 HA TYR 10 5.559 -0.436 -2.087 52 HB2 TYR 10 1HB TYR 10 4.329 -1.526 0.470 53 HB3 TYR 10 2HB TYR 10 4.108 -2.182 -1.147 54 HD1 TYR 10 1HD TYR 10 6.516 -1.758 1.626 55 HD2 TYR 10 2HD TYR 10 5.848 -3.479 -2.267 56 HE1 TYR 10 1HE TYR 10 8.583 -3.151 1.880 57 HE2 TYR 10 2HE TYR 10 7.896 -4.864 -2.013 58 HH TYR 10 HH TYR 10 9.664 -5.425 -0.663 59 H TYR 11 H TYR 11 4.004 0.444 -3.317 60 HA TYR 11 HA TYR 11 2.127 2.406 -2.078 61 HB2 TYR 11 1HB TYR 11 3.350 2.262 -4.854 62 HB3 TYR 11 2HB TYR 11 2.165 3.445 -4.341 63 HD1 TYR 11 1HD TYR 11 5.670 2.261 -3.730 64 HD2 TYR 11 2HD TYR 11 2.807 5.453 -3.238 65 HE1 TYR 11 1HE TYR 11 7.489 3.779 -2.973 66 HE2 TYR 11 2HE TYR 11 4.629 6.966 -2.479 67 HH TYR 11 HH TYR 11 6.848 7.177 -2.018 68 H CYS 12 H CYS 12 -0.026 2.448 -2.544 69 HA CYS 12 HA CYS 12 -1.348 0.082 -3.453 70 HB2 CYS 12 1HB CYS 12 -2.174 1.675 -1.760 71 HB3 CYS 12 2HB CYS 12 -2.377 2.904 -3.017 72 H SER 13 H SER 13 -2.525 -0.357 -5.233 73 HA SER 13 HA SER 13 -1.699 0.864 -7.781 74 HB2 SER 13 1HB SER 13 -3.637 -1.415 -7.230 75 HB3 SER 13 2HB SER 13 -2.966 -0.968 -8.805 76 HG SER 13 HG SER 13 -0.890 -1.507 -8.018 77 H GLN 14 H GLN 14 -4.253 1.425 -5.563 78 HA GLN 14 HA GLN 14 -6.003 2.592 -7.709 79 HB2 GLN 14 1HB GLN 14 -6.866 1.021 -5.257 80 HB3 GLN 14 2HB GLN 14 -7.935 1.784 -6.441 81 HG2 GLN 14 1HG GLN 14 -6.856 0.329 -8.228 82 HG3 GLN 14 2HG GLN 14 -6.045 -0.553 -6.925 83 HE21 GLN 14 1HE2 GLN 14 -7.708 -1.284 -5.074 84 HE22 GLN 14 2HE2 GLN 14 -9.207 -1.963 -5.718 85 H CYS 15 H CYS 15 -4.396 3.351 -4.757 86 HA CYS 15 HA CYS 15 -5.624 6.006 -4.828 87 HB2 CYS 15 1HB CYS 15 -6.317 6.096 -2.550 88 HB3 CYS 15 2HB CYS 15 -7.098 4.719 -3.303 89 H HIS 16 H HIS 16 -4.588 7.201 -2.699 90 HA HIS 16 HA HIS 16 -1.809 7.531 -3.488 91 HB2 HIS 16 1HB HIS 16 -3.478 9.365 -3.064 92 HB3 HIS 16 2HB HIS 16 -3.429 8.962 -1.350 93 HD1 HIS 16 1HD HIS 16 -1.686 10.405 -0.037 94 HD2 HIS 16 2HD HIS 16 -0.871 10.008 -4.148 95 HE1 HIS 16 1HE HIS 16 0.351 11.865 -0.505 96 H TYR 17 H TYR 17 -3.176 5.419 -1.232 97 HA TYR 17 HA TYR 17 -1.523 5.727 1.054 98 HB2 TYR 17 1HB TYR 17 -3.590 4.446 1.053 99 HB3 TYR 17 2HB TYR 17 -2.914 3.292 -0.089 100 HD1 TYR 17 2HD TYR 17 -1.260 1.611 0.597 101 HD2 TYR 17 1HD TYR 17 -2.961 4.379 3.435 102 HE1 TYR 17 2HE TYR 17 -0.433 0.194 2.477 103 HE2 TYR 17 1HE TYR 17 -2.159 2.946 5.308 104 HH TYR 17 HH TYR 17 -1.062 1.024 5.902 105 H SER 18 H SER 18 0.384 4.916 1.725 106 HA SER 18 HA SER 18 1.672 2.707 0.384 107 HB2 SER 18 1HB SER 18 3.841 3.807 0.016 108 HB3 SER 18 2HB SER 18 2.553 4.507 -0.976 109 HG SER 18 HG SER 18 3.793 6.156 -0.055 110 H SER 19 H SER 19 3.224 1.648 1.661 111 HA SER 19 HA SER 19 3.968 2.717 4.292 112 HB2 SER 19 1HB SER 19 1.618 1.753 4.537 113 HB3 SER 19 2HB SER 19 2.330 0.157 4.228 114 HG SER 19 HG SER 19 2.181 0.753 6.489 115 H ILE 20 H ILE 20 5.141 0.944 5.580 116 HA ILE 20 HA ILE 20 7.166 -0.374 3.882 117 HB ILE 20 HB ILE 20 8.195 -1.076 6.007 118 HG12 ILE 20 1HG1 ILE 20 6.059 0.614 7.390 119 HG13 ILE 20 2HG1 ILE 20 6.144 -1.148 7.427 120 HG21 ILE 20 1HG2 ILE 20 8.785 1.036 4.812 121 HG22 ILE 20 2HG2 ILE 20 7.672 1.923 5.879 122 HG23 ILE 20 3HG2 ILE 20 9.102 1.108 6.543 123 HD11 ILE 20 3HD1 ILE 20 7.061 -0.304 9.477 124 HD12 ILE 20 1HD1 ILE 20 8.388 -0.998 8.523 125 HD13 ILE 20 2HD1 ILE 20 8.179 0.770 8.622 126 H THR 21 H THR 21 7.572 -2.568 3.887 127 HA THR 21 HA THR 21 7.110 -4.721 3.525 128 HB THR 21 HB THR 21 5.383 -4.561 6.005 129 HG1 THR 21 1HG THR 21 7.306 -5.123 7.025 130 HG21 THR 21 3HG2 THR 21 6.827 -6.898 4.669 131 HG22 THR 21 1HG2 THR 21 5.069 -6.707 4.867 132 HG23 THR 21 2HG2 THR 21 6.087 -6.939 6.285 133 H LYS 22 H LYS 22 6.091 -5.577 1.868 134 HA LYS 22 HA LYS 22 3.648 -4.645 0.824 135 HB2 LYS 22 1HB LYS 22 3.774 -6.519 -0.745 136 HB3 LYS 22 2HB LYS 22 5.303 -5.673 -0.571 137 HG2 LYS 22 1HG LYS 22 6.121 -7.461 0.965 138 HG3 LYS 22 2HG LYS 22 4.622 -8.358 0.697 139 HD2 LYS 22 1HD LYS 22 6.680 -7.575 -1.414 140 HD3 LYS 22 2HD LYS 22 6.536 -9.169 -0.690 141 HE2 LYS 22 1HE LYS 22 4.371 -7.825 -2.378 142 HE3 LYS 22 2HE LYS 22 5.569 -8.960 -2.996 143 HZ1 LYS 22 3HZ LYS 22 4.678 -10.650 -1.488 144 HZ2 LYS 22 1HZ LYS 22 3.513 -10.105 -2.486 145 HZ3 LYS 22 2HZ LYS 22 3.537 -9.618 -0.930 146 H ASN 23 H ASN 23 4.004 -7.148 3.252 147 HA ASN 23 HA ASN 23 1.361 -8.258 2.989 148 HB2 ASN 23 1HB ASN 23 3.280 -9.282 4.259 149 HB3 ASN 23 2HB ASN 23 3.090 -8.031 5.494 150 HD21 ASN 23 1HD2 ASN 23 1.420 -10.770 3.892 151 HD22 ASN 23 2HD2 ASN 23 0.335 -11.066 5.240 152 H CYS 24 H CYS 24 2.546 -5.315 4.666 153 HA CYS 24 HA CYS 24 0.012 -4.720 5.960 154 HB2 CYS 24 1HB CYS 24 2.391 -2.946 5.262 155 HB3 CYS 24 2HB CYS 24 1.046 -2.502 6.325 156 HG CYS 24 HG CYS 24 3.234 -3.082 7.714 157 H LEU 25 H LEU 25 1.521 -3.761 2.831 158 HA LEU 25 HA LEU 25 -0.620 -2.172 1.965 159 HB2 LEU 25 1HB LEU 25 1.598 -2.149 0.911 160 HB3 LEU 25 2HB LEU 25 1.359 -3.804 0.342 161 HG LEU 25 HG LEU 25 -0.556 -3.048 -1.066 162 HD11 LEU 25 1HD1 LEU 25 0.277 -0.254 -0.155 163 HD12 LEU 25 2HD1 LEU 25 -1.281 -1.049 0.194 164 HD13 LEU 25 3HD1 LEU 25 -0.869 -0.628 -1.459 165 HD21 LEU 25 3HD2 LEU 25 1.957 -1.431 -1.552 166 HD22 LEU 25 1HD2 LEU 25 0.757 -1.945 -2.754 167 HD23 LEU 25 2HD2 LEU 25 1.767 -3.155 -1.951 168 H LYS 26 H LYS 26 -0.099 -5.715 1.605 169 HA LYS 26 HA LYS 26 -2.470 -6.281 0.133 170 HB2 LYS 26 1HB LYS 26 -0.568 -7.855 0.558 171 HB3 LYS 26 2HB LYS 26 -1.134 -8.055 2.224 172 HG2 LYS 26 1HG LYS 26 -3.295 -8.936 1.390 173 HG3 LYS 26 2HG LYS 26 -2.758 -8.689 -0.283 174 HD2 LYS 26 1HD LYS 26 -0.905 -10.302 0.081 175 HD3 LYS 26 2HD LYS 26 -1.448 -10.547 1.757 176 HE2 LYS 26 1HE LYS 26 -3.648 -11.349 0.924 177 HE3 LYS 26 2HE LYS 26 -3.117 -11.094 -0.742 178 HZ1 LYS 26 3HZ LYS 26 -1.872 -13.007 1.165 179 HZ2 LYS 26 1HZ LYS 26 -1.381 -12.769 -0.377 180 HZ3 LYS 26 2HZ LYS 26 -2.849 -13.412 -0.075 181 H ARG 27 H ARG 27 -2.044 -6.043 3.687 182 HA ARG 27 HA ARG 27 -4.807 -6.505 4.370 183 HB2 ARG 27 1HB ARG 27 -2.636 -4.922 5.803 184 HB3 ARG 27 2HB ARG 27 -4.211 -5.297 6.505 185 HG2 ARG 27 1HG ARG 27 -3.776 -7.672 6.484 186 HG3 ARG 27 2HG ARG 27 -2.324 -7.466 5.507 187 HD2 ARG 27 1HD ARG 27 -1.400 -6.015 7.416 188 HD3 ARG 27 2HD ARG 27 -2.733 -6.619 8.399 189 HE ARG 27 HE ARG 27 -0.446 -8.173 7.240 190 HH11 ARG 27 2HH1 ARG 27 -3.209 -8.325 9.411 191 HH12 ARG 27 1HH1 ARG 27 -2.663 -9.835 10.094 192 HH21 ARG 27 2HH2 ARG 27 0.162 -9.982 8.109 193 HH22 ARG 27 1HH2 ARG 27 -0.767 -10.773 9.372 194 H HIS 28 H HIS 28 -3.135 -3.417 3.553 195 HA HIS 28 HA HIS 28 -5.431 -1.733 3.831 196 HB2 HIS 28 1HB HIS 28 -3.340 -0.669 3.533 197 HB3 HIS 28 2HB HIS 28 -2.965 -1.566 2.075 198 HD1 HIS 28 1HD HIS 28 -4.997 1.450 3.200 199 HD2 HIS 28 2HD HIS 28 -4.068 -0.749 -0.254 200 HE1 HIS 28 1HE HIS 28 -5.892 2.811 1.259 201 H VAL 29 H VAL 29 -4.337 -3.611 0.932 202 HA VAL 29 HA VAL 29 -6.556 -2.783 -0.687 203 HB VAL 29 HB VAL 29 -4.762 -5.215 -0.933 204 HG11 VAL 29 1HG1 VAL 29 -5.503 -5.231 -3.323 205 HG12 VAL 29 2HG1 VAL 29 -6.815 -5.637 -2.214 206 HG13 VAL 29 3HG1 VAL 29 -6.730 -4.007 -2.925 207 HG21 VAL 29 3HG2 VAL 29 -3.651 -3.881 -2.686 208 HG22 VAL 29 1HG2 VAL 29 -4.767 -2.530 -2.398 209 HG23 VAL 29 2HG2 VAL 29 -3.597 -3.009 -1.157 210 H ILE 30 H ILE 30 -6.221 -5.603 1.480 211 HA ILE 30 HA ILE 30 -8.790 -6.755 0.922 212 HB ILE 30 HB ILE 30 -6.937 -6.865 3.325 213 HG12 ILE 30 1HG1 ILE 30 -7.644 -9.028 1.298 214 HG13 ILE 30 2HG1 ILE 30 -6.305 -7.925 1.051 215 HG21 ILE 30 1HG2 ILE 30 -9.494 -8.474 2.898 216 HG22 ILE 30 2HG2 ILE 30 -8.277 -8.805 4.147 217 HG23 ILE 30 3HG2 ILE 30 -9.186 -7.310 4.206 218 HD11 ILE 30 3HD1 ILE 30 -5.448 -9.983 1.950 219 HD12 ILE 30 1HD1 ILE 30 -5.258 -8.715 3.178 220 HD13 ILE 30 2HD1 ILE 30 -6.551 -9.931 3.328 221 H GLN 31 H GLN 31 -7.825 -4.288 3.348 222 HA GLN 31 HA GLN 31 -10.501 -4.262 4.498 223 HB2 GLN 31 1HB GLN 31 -8.369 -4.196 5.777 224 HB3 GLN 31 2HB GLN 31 -8.055 -2.576 5.142 225 HG2 GLN 31 1HG GLN 31 -10.115 -1.743 6.254 226 HG3 GLN 31 2HG GLN 31 -10.473 -3.377 6.826 227 HE21 GLN 31 1HE2 GLN 31 -8.947 -4.343 8.454 228 HE22 GLN 31 2HE2 GLN 31 -7.998 -3.244 9.444 229 H LYS 32 H LYS 32 -8.658 -1.978 2.457 230 HA LYS 32 HA LYS 32 -10.791 0.081 2.781 231 HB2 LYS 32 1HB LYS 32 -7.958 0.360 1.719 232 HB3 LYS 32 2HB LYS 32 -9.083 1.668 2.047 233 HG2 LYS 32 1HG LYS 32 -7.818 -0.169 4.122 234 HG3 LYS 32 2HG LYS 32 -7.424 1.518 3.802 235 HD2 LYS 32 1HD LYS 32 -9.764 2.165 4.490 236 HD3 LYS 32 2HD LYS 32 -10.076 0.470 4.881 237 HE2 LYS 32 1HE LYS 32 -9.569 1.453 6.942 238 HE3 LYS 32 2HE LYS 32 -8.127 0.542 6.494 239 HZ1 LYS 32 3HZ LYS 32 -8.475 3.481 6.164 240 HZ2 LYS 32 1HZ LYS 32 -7.119 2.654 5.769 241 HZ3 LYS 32 2HZ LYS 32 -7.587 2.764 7.326 242 H HIS 33 H HIS 33 -9.948 -2.163 0.374 243 HA HIS 33 HA HIS 33 -11.475 -0.543 -1.628 244 HB2 HIS 33 1HB HIS 33 -9.125 -2.389 -2.154 245 HB3 HIS 33 2HB HIS 33 -10.165 -1.684 -3.388 246 HD1 HIS 33 1HD HIS 33 -10.164 1.160 -3.375 247 HD2 HIS 33 2HD HIS 33 -7.043 -0.918 -1.488 248 HE1 HIS 33 1HE HIS 33 -8.287 2.836 -3.109 249 H SER 34 H SER 34 -13.274 -1.406 -2.398 250 HA SER 34 HA SER 34 -14.108 -4.112 -1.598 251 HB2 SER 34 1HB SER 34 -16.301 -3.366 -2.490 252 HB3 SER 34 2HB SER 34 -15.640 -2.292 -1.245 253 HG SER 34 HG SER 34 -16.457 -1.132 -3.065 254 H ASN 35 H ASN 35 -12.687 -2.716 -4.357 255 HA ASN 35 HA ASN 35 -13.040 -5.184 -5.937 256 HB2 ASN 35 1HB ASN 35 -14.799 -3.611 -6.730 257 HB3 ASN 35 2HB ASN 35 -13.581 -2.357 -6.976 258 HD21 ASN 35 2HD2 ASN 35 -14.451 -5.700 -8.025 259 HD22 ASN 35 1HD2 ASN 35 -13.782 -5.492 -9.638 260 H ILE 36 H ILE 36 -11.309 -5.458 -7.515 261 HA ILE 36 HA ILE 36 -8.883 -3.795 -7.061 262 HB ILE 36 HB ILE 36 -7.499 -5.809 -6.889 263 HG12 ILE 36 1HG1 ILE 36 -10.107 -7.364 -6.556 264 HG13 ILE 36 2HG1 ILE 36 -9.057 -7.429 -7.973 265 HG21 ILE 36 1HG2 ILE 36 -7.899 -6.191 -4.543 266 HG22 ILE 36 2HG2 ILE 36 -8.294 -4.508 -4.899 267 HG23 ILE 36 3HG2 ILE 36 -9.597 -5.697 -4.683 268 HD11 ILE 36 3HD1 ILE 36 -8.344 -8.365 -5.169 269 HD12 ILE 36 1HD1 ILE 36 -8.614 -9.356 -6.609 270 HD13 ILE 36 2HD1 ILE 36 -7.199 -8.288 -6.532 271 H LEU 37 H LEU 37 -7.221 -3.976 -8.597 272 HA LEU 37 HA LEU 37 -8.144 -4.139 -11.349 273 HB2 LEU 37 1HB LEU 37 -6.797 -2.257 -10.558 274 HB3 LEU 37 2HB LEU 37 -5.546 -3.353 -9.968 275 HG LEU 37 HG LEU 37 -5.036 -4.051 -12.260 276 HD11 LEU 37 1HD1 LEU 37 -7.028 -1.880 -13.071 277 HD12 LEU 37 2HD1 LEU 37 -7.190 -3.622 -13.385 278 HD13 LEU 37 3HD1 LEU 37 -5.903 -2.705 -14.173 279 HD21 LEU 37 3HD2 LEU 37 -3.800 -2.209 -11.196 280 HD22 LEU 37 1HD2 LEU 37 -4.984 -1.036 -11.818 281 HD23 LEU 37 2HD2 LEU 37 -3.945 -1.945 -12.940 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 8.352 5.873 -3.978 2 H2 GLY 1 2H GLY 1 9.703 5.506 -4.822 3 H3 GLY 1 3H GLY 1 8.239 5.444 -5.562 4 HA2 GLY 1 1HA GLY 1 7.959 7.829 -5.324 5 HA3 GLY 1 2HA GLY 1 9.546 7.881 -4.531 6 H SER 2 H SER 2 8.896 9.373 -6.856 7 HA SER 2 HA SER 2 9.376 8.146 -9.311 8 HB2 SER 2 1HB SER 2 9.943 11.041 -8.579 9 HB3 SER 2 2HB SER 2 9.602 10.399 -10.199 10 HG SER 2 HG SER 2 7.732 11.309 -9.221 11 H SER 3 H SER 3 11.834 9.156 -7.031 12 HA SER 3 HA SER 3 14.017 9.105 -8.999 13 HB2 SER 3 1HB SER 3 13.862 10.612 -6.946 14 HB3 SER 3 2HB SER 3 14.265 9.185 -5.978 15 HG SER 3 HG SER 3 16.190 9.000 -7.279 16 H GLY 4 H GLY 4 12.290 6.641 -7.455 17 HA2 GLY 4 1HA GLY 4 12.639 4.371 -7.281 18 HA3 GLY 4 2HA GLY 4 14.197 4.547 -8.081 19 H SER 5 H SER 5 14.513 2.773 -6.407 20 HA SER 5 HA SER 5 15.396 1.929 -4.494 21 HB2 SER 5 1HB SER 5 16.975 4.516 -4.565 22 HB3 SER 5 2HB SER 5 17.431 3.028 -3.711 23 HG SER 5 HG SER 5 18.425 3.191 -5.782 24 H SER 6 H SER 6 12.936 3.140 -3.929 25 HA SER 6 HA SER 6 13.066 4.857 -1.633 26 HB2 SER 6 1HB SER 6 10.653 3.404 -2.762 27 HB3 SER 6 2HB SER 6 10.659 4.846 -1.728 28 HG SER 6 HG SER 6 11.942 5.843 -3.488 29 H GLY 7 H GLY 7 14.527 2.921 -0.652 30 HA2 GLY 7 1HA GLY 7 14.826 1.542 1.183 31 HA3 GLY 7 2HA GLY 7 13.376 2.304 1.835 32 H HIS 8 H HIS 8 11.857 0.904 2.401 33 HA HIS 8 HA HIS 8 11.323 -1.499 0.728 34 HB2 HIS 8 1HB HIS 8 12.468 -1.826 3.076 35 HB3 HIS 8 2HB HIS 8 10.847 -1.557 3.707 36 HD1 HIS 8 1HD HIS 8 9.705 -3.940 4.067 37 HD2 HIS 8 2HD HIS 8 12.426 -3.754 0.849 38 HE1 HIS 8 1HE HIS 8 9.821 -6.274 3.092 39 H LEU 9 H LEU 9 10.134 1.212 0.592 40 HA LEU 9 HA LEU 9 7.409 0.970 1.615 41 HB2 LEU 9 1HB LEU 9 8.788 2.931 -0.254 42 HB3 LEU 9 2HB LEU 9 7.058 2.933 -0.040 43 HG LEU 9 HG LEU 9 8.016 4.664 1.269 44 HD11 LEU 9 1HD1 LEU 9 7.046 2.489 3.152 45 HD12 LEU 9 2HD1 LEU 9 5.998 3.498 2.127 46 HD13 LEU 9 3HD1 LEU 9 6.979 4.241 3.402 47 HD21 LEU 9 3HD2 LEU 9 9.446 4.303 3.211 48 HD22 LEU 9 1HD2 LEU 9 10.247 3.771 1.725 49 HD23 LEU 9 2HD2 LEU 9 9.560 2.573 2.841 50 H TYR 10 H TYR 10 5.626 0.358 0.642 51 HA TYR 10 HA TYR 10 5.599 -0.347 -2.257 52 HB2 TYR 10 1HB TYR 10 4.291 -1.833 0.052 53 HB3 TYR 10 2HB TYR 10 3.889 -2.081 -1.642 54 HD1 TYR 10 1HD TYR 10 6.605 -2.446 0.876 55 HD2 TYR 10 2HD TYR 10 5.296 -3.344 -3.133 56 HE1 TYR 10 1HE TYR 10 8.500 -4.054 0.614 57 HE2 TYR 10 2HE TYR 10 7.173 -4.956 -3.387 58 HH TYR 10 HH TYR 10 9.001 -5.920 -2.404 59 H TYR 11 H TYR 11 3.766 0.269 -3.377 60 HA TYR 11 HA TYR 11 2.115 2.389 -2.059 61 HB2 TYR 11 1HB TYR 11 3.292 2.324 -4.857 62 HB3 TYR 11 2HB TYR 11 2.285 3.594 -4.189 63 HD1 TYR 11 1HD TYR 11 5.627 1.930 -3.905 64 HD2 TYR 11 2HD TYR 11 3.221 5.359 -2.863 65 HE1 TYR 11 1HE TYR 11 7.647 3.077 -3.014 66 HE2 TYR 11 2HE TYR 11 5.246 6.509 -1.988 67 HH TYR 11 HH TYR 11 7.503 6.363 -1.592 68 H CYS 12 H CYS 12 -0.020 2.564 -2.544 69 HA CYS 12 HA CYS 12 -1.404 0.232 -3.386 70 HB2 CYS 12 1HB CYS 12 -2.106 1.888 -1.677 71 HB3 CYS 12 2HB CYS 12 -2.413 3.063 -2.966 72 H SER 13 H SER 13 -2.799 -0.148 -5.026 73 HA SER 13 HA SER 13 -2.119 1.017 -7.673 74 HB2 SER 13 1HB SER 13 -3.788 -1.418 -6.949 75 HB3 SER 13 2HB SER 13 -3.340 -0.907 -8.588 76 HG SER 13 HG SER 13 -1.928 -2.522 -7.773 77 H GLN 14 H GLN 14 -4.554 1.428 -5.297 78 HA GLN 14 HA GLN 14 -6.490 2.494 -7.335 79 HB2 GLN 14 1HB GLN 14 -7.133 0.995 -4.773 80 HB3 GLN 14 2HB GLN 14 -8.302 1.739 -5.870 81 HG2 GLN 14 1HG GLN 14 -7.431 0.235 -7.717 82 HG3 GLN 14 2HG GLN 14 -6.426 -0.575 -6.512 83 HE21 GLN 14 1HE2 GLN 14 -7.461 -2.626 -6.745 84 HE22 GLN 14 2HE2 GLN 14 -9.125 -2.880 -6.229 85 H CYS 15 H CYS 15 -4.624 3.382 -4.605 86 HA CYS 15 HA CYS 15 -5.818 6.043 -4.685 87 HB2 CYS 15 1HB CYS 15 -6.309 6.251 -2.358 88 HB3 CYS 15 2HB CYS 15 -7.168 4.845 -2.967 89 H HIS 16 H HIS 16 -4.527 7.251 -2.634 90 HA HIS 16 HA HIS 16 -1.783 7.371 -3.668 91 HB2 HIS 16 1HB HIS 16 -3.338 9.343 -3.346 92 HB3 HIS 16 2HB HIS 16 -3.146 9.136 -1.606 93 HD1 HIS 16 1HD HIS 16 -1.142 10.530 -0.630 94 HD2 HIS 16 2HD HIS 16 -0.870 9.730 -4.753 95 HE1 HIS 16 1HE HIS 16 0.903 11.801 -1.470 96 H TYR 17 H TYR 17 -3.115 5.503 -1.248 97 HA TYR 17 HA TYR 17 -1.423 5.917 0.992 98 HB2 TYR 17 1HB TYR 17 -3.546 4.713 1.053 99 HB3 TYR 17 2HB TYR 17 -2.884 3.449 0.025 100 HD1 TYR 17 1HD TYR 17 -2.829 4.909 3.435 101 HD2 TYR 17 2HD TYR 17 -1.471 1.697 0.898 102 HE1 TYR 17 1HE TYR 17 -2.186 3.580 5.448 103 HE2 TYR 17 2HE TYR 17 -0.829 0.374 2.909 104 HH TYR 17 HH TYR 17 -0.827 0.276 5.202 105 H SER 18 H SER 18 0.374 4.886 1.795 106 HA SER 18 HA SER 18 1.673 2.728 0.338 107 HB2 SER 18 1HB SER 18 3.881 3.761 0.254 108 HB3 SER 18 2HB SER 18 2.710 4.693 -0.693 109 HG SER 18 HG SER 18 4.018 6.057 0.598 110 H SER 19 H SER 19 3.214 1.566 1.590 111 HA SER 19 HA SER 19 3.607 2.282 4.417 112 HB2 SER 19 1HB SER 19 1.373 1.013 4.215 113 HB3 SER 19 2HB SER 19 2.346 -0.405 3.784 114 HG SER 19 HG SER 19 2.244 1.073 6.204 115 H ILE 20 H ILE 20 5.125 0.823 5.518 116 HA ILE 20 HA ILE 20 7.230 -0.188 3.725 117 HB ILE 20 HB ILE 20 8.394 -0.822 5.847 118 HG12 ILE 20 1HG1 ILE 20 6.242 0.849 7.231 119 HG13 ILE 20 2HG1 ILE 20 6.387 -0.903 7.354 120 HG21 ILE 20 1HG2 ILE 20 7.679 2.120 5.524 121 HG22 ILE 20 2HG2 ILE 20 9.164 1.457 6.240 122 HG23 ILE 20 3HG2 ILE 20 8.843 1.216 4.528 123 HD11 ILE 20 3HD1 ILE 20 7.361 0.067 9.314 124 HD12 ILE 20 1HD1 ILE 20 8.671 -0.628 8.338 125 HD13 ILE 20 2HD1 ILE 20 8.402 1.133 8.361 126 H THR 21 H THR 21 7.628 -2.195 3.199 127 HA THR 21 HA THR 21 7.409 -4.386 2.808 128 HB THR 21 HB THR 21 6.212 -4.679 5.574 129 HG1 THR 21 1HG THR 21 8.319 -5.050 6.161 130 HG21 THR 21 3HG2 THR 21 5.862 -6.731 4.306 131 HG22 THR 21 1HG2 THR 21 7.205 -6.970 5.424 132 HG23 THR 21 2HG2 THR 21 7.537 -6.692 3.701 133 H LYS 22 H LYS 22 6.158 -5.608 1.572 134 HA LYS 22 HA LYS 22 3.728 -4.537 0.672 135 HB2 LYS 22 1HB LYS 22 3.607 -6.491 -0.810 136 HB3 LYS 22 2HB LYS 22 5.191 -5.730 -0.780 137 HG2 LYS 22 1HG LYS 22 6.044 -7.512 0.722 138 HG3 LYS 22 2HG LYS 22 4.450 -8.297 0.684 139 HD2 LYS 22 1HD LYS 22 4.664 -8.609 -1.772 140 HD3 LYS 22 2HD LYS 22 6.193 -7.726 -1.757 141 HE2 LYS 22 1HE LYS 22 6.750 -10.029 -1.879 142 HE3 LYS 22 2HE LYS 22 7.180 -9.471 -0.263 143 HZ1 LYS 22 3HZ LYS 22 4.711 -10.990 -0.947 144 HZ2 LYS 22 1HZ LYS 22 5.128 -10.510 0.563 145 HZ3 LYS 22 2HZ LYS 22 6.027 -11.619 -0.222 146 H ASN 23 H ASN 23 4.039 -6.957 3.195 147 HA ASN 23 HA ASN 23 1.311 -7.880 3.096 148 HB2 ASN 23 1HB ASN 23 3.194 -9.026 4.284 149 HB3 ASN 23 2HB ASN 23 3.214 -7.722 5.478 150 HD21 ASN 23 1HD2 ASN 23 1.372 -10.505 4.257 151 HD22 ASN 23 2HD2 ASN 23 0.276 -10.561 5.629 152 H CYS 24 H CYS 24 2.790 -4.993 4.585 153 HA CYS 24 HA CYS 24 0.431 -4.188 6.067 154 HB2 CYS 24 1HB CYS 24 2.885 -2.637 5.162 155 HB3 CYS 24 2HB CYS 24 1.674 -2.067 6.319 156 HG CYS 24 HG CYS 24 4.006 -2.923 7.410 157 H LEU 25 H LEU 25 1.573 -3.640 2.731 158 HA LEU 25 HA LEU 25 -0.564 -1.869 2.092 159 HB2 LEU 25 1HB LEU 25 1.519 -1.814 0.826 160 HB3 LEU 25 2HB LEU 25 1.290 -3.493 0.324 161 HG LEU 25 HG LEU 25 -0.770 -2.844 -0.926 162 HD11 LEU 25 1HD1 LEU 25 -1.436 -0.831 0.368 163 HD12 LEU 25 2HD1 LEU 25 -1.248 -0.471 -1.337 164 HD13 LEU 25 3HD1 LEU 25 0.029 0.011 -0.198 165 HD21 LEU 25 3HD2 LEU 25 1.436 -2.908 -2.034 166 HD22 LEU 25 1HD2 LEU 25 1.652 -1.181 -1.664 167 HD23 LEU 25 2HD2 LEU 25 0.347 -1.709 -2.746 168 H LYS 26 H LYS 26 -0.031 -5.393 1.674 169 HA LYS 26 HA LYS 26 -2.360 -6.023 0.241 170 HB2 LYS 26 1HB LYS 26 -0.426 -7.535 0.699 171 HB3 LYS 26 2HB LYS 26 -1.000 -7.745 2.361 172 HG2 LYS 26 1HG LYS 26 -3.105 -8.731 1.516 173 HG3 LYS 26 2HG LYS 26 -2.577 -8.456 -0.155 174 HD2 LYS 26 1HD LYS 26 -0.651 -9.984 0.210 175 HD3 LYS 26 2HD LYS 26 -1.184 -10.252 1.886 176 HE2 LYS 26 1HE LYS 26 -3.342 -11.158 1.055 177 HE3 LYS 26 2HE LYS 26 -2.825 -10.880 -0.612 178 HZ1 LYS 26 3HZ LYS 26 -2.448 -13.181 0.055 179 HZ2 LYS 26 1HZ LYS 26 -1.491 -12.730 1.295 180 HZ3 LYS 26 2HZ LYS 26 -1.012 -12.470 -0.247 181 H ARG 27 H ARG 27 -2.049 -5.873 3.820 182 HA ARG 27 HA ARG 27 -4.831 -6.442 4.303 183 HB2 ARG 27 1HB ARG 27 -4.463 -5.734 6.570 184 HB3 ARG 27 2HB ARG 27 -3.119 -6.728 6.013 185 HG2 ARG 27 1HG ARG 27 -1.779 -4.642 5.638 186 HG3 ARG 27 2HG ARG 27 -3.128 -3.685 6.260 187 HD2 ARG 27 1HD ARG 27 -1.576 -3.917 8.036 188 HD3 ARG 27 2HD ARG 27 -2.967 -4.944 8.417 189 HE ARG 27 HE ARG 27 -0.872 -6.430 7.047 190 HH11 ARG 27 2HH1 ARG 27 -1.701 -5.189 10.226 191 HH12 ARG 27 1HH1 ARG 27 -0.716 -6.371 11.042 192 HH21 ARG 27 2HH2 ARG 27 0.394 -7.880 8.155 193 HH22 ARG 27 1HH2 ARG 27 0.427 -7.855 9.900 194 H HIS 28 H HIS 28 -3.255 -3.321 3.608 195 HA HIS 28 HA HIS 28 -5.608 -1.698 4.038 196 HB2 HIS 28 1HB HIS 28 -3.584 -0.524 3.893 197 HB3 HIS 28 2HB HIS 28 -3.055 -1.354 2.447 198 HD1 HIS 28 1HD HIS 28 -5.155 1.621 3.488 199 HD2 HIS 28 2HD HIS 28 -4.052 -0.542 0.059 200 HE1 HIS 28 1HE HIS 28 -5.847 3.056 1.516 201 H VAL 29 H VAL 29 -4.350 -3.353 1.079 202 HA VAL 29 HA VAL 29 -6.522 -2.545 -0.602 203 HB VAL 29 HB VAL 29 -4.714 -4.983 -0.817 204 HG11 VAL 29 1HG1 VAL 29 -5.314 -4.948 -3.231 205 HG12 VAL 29 2HG1 VAL 29 -6.712 -5.320 -2.223 206 HG13 VAL 29 3HG1 VAL 29 -6.522 -3.687 -2.906 207 HG21 VAL 29 3HG2 VAL 29 -4.587 -2.261 -2.207 208 HG22 VAL 29 1HG2 VAL 29 -3.502 -2.792 -0.913 209 HG23 VAL 29 2HG2 VAL 29 -3.483 -3.625 -2.462 210 H ILE 30 H ILE 30 -6.172 -5.471 1.444 211 HA ILE 30 HA ILE 30 -8.673 -6.667 0.764 212 HB ILE 30 HB ILE 30 -6.887 -6.832 3.210 213 HG12 ILE 30 1HG1 ILE 30 -7.499 -8.892 1.041 214 HG13 ILE 30 2HG1 ILE 30 -6.167 -7.759 0.919 215 HG21 ILE 30 1HG2 ILE 30 -9.142 -7.378 4.025 216 HG22 ILE 30 2HG2 ILE 30 -9.386 -8.498 2.665 217 HG23 ILE 30 3HG2 ILE 30 -8.185 -8.838 3.926 218 HD11 ILE 30 3HD1 ILE 30 -5.305 -9.851 1.707 219 HD12 ILE 30 1HD1 ILE 30 -5.198 -8.681 3.038 220 HD13 ILE 30 2HD1 ILE 30 -6.470 -9.929 3.030 221 H GLN 31 H GLN 31 -7.924 -4.272 3.350 222 HA GLN 31 HA GLN 31 -10.675 -4.366 4.326 223 HB2 GLN 31 1HB GLN 31 -8.257 -2.693 5.085 224 HB3 GLN 31 2HB GLN 31 -9.808 -2.573 5.901 225 HG2 GLN 31 1HG GLN 31 -8.178 -5.149 5.708 226 HG3 GLN 31 2HG GLN 31 -8.141 -4.039 7.069 227 HE21 GLN 31 1HE2 GLN 31 -8.776 -6.654 7.596 228 HE22 GLN 31 2HE2 GLN 31 -10.490 -6.770 7.971 229 H LYS 32 H LYS 32 -8.907 -2.120 2.224 230 HA LYS 32 HA LYS 32 -11.165 -0.163 2.366 231 HB2 LYS 32 1HB LYS 32 -8.333 0.198 1.319 232 HB3 LYS 32 2HB LYS 32 -9.536 1.459 1.538 233 HG2 LYS 32 1HG LYS 32 -8.215 -0.151 3.767 234 HG3 LYS 32 2HG LYS 32 -7.875 1.517 3.314 235 HD2 LYS 32 1HD LYS 32 -10.207 2.160 3.919 236 HD3 LYS 32 2HD LYS 32 -10.511 0.490 4.454 237 HE2 LYS 32 1HE LYS 32 -8.662 0.673 6.095 238 HE3 LYS 32 2HE LYS 32 -8.353 2.333 5.571 239 HZ1 LYS 32 3HZ LYS 32 -9.749 2.278 7.559 240 HZ2 LYS 32 1HZ LYS 32 -10.886 1.384 6.807 241 HZ3 LYS 32 2HZ LYS 32 -10.599 2.919 6.323 242 H HIS 33 H HIS 33 -9.894 -2.433 0.094 243 HA HIS 33 HA HIS 33 -11.342 -1.073 -2.148 244 HB2 HIS 33 1HB HIS 33 -8.597 -2.370 -2.252 245 HB3 HIS 33 2HB HIS 33 -9.455 -1.660 -3.605 246 HD1 HIS 33 1HD HIS 33 -10.305 1.132 -2.253 247 HD2 HIS 33 2HD HIS 33 -6.563 -0.764 -2.070 248 HE1 HIS 33 1HE HIS 33 -8.624 2.973 -1.783 249 H SER 34 H SER 34 -11.316 -2.587 -4.136 250 HA SER 34 HA SER 34 -12.058 -5.386 -3.421 251 HB2 SER 34 1HB SER 34 -13.912 -5.258 -5.016 252 HB3 SER 34 2HB SER 34 -14.107 -4.094 -3.697 253 HG SER 34 HG SER 34 -14.552 -3.156 -5.746 254 H ASN 35 H ASN 35 -12.137 -6.809 -5.372 255 HA ASN 35 HA ASN 35 -9.961 -6.179 -7.325 256 HB2 ASN 35 1HB ASN 35 -9.079 -7.631 -5.570 257 HB3 ASN 35 2HB ASN 35 -10.457 -8.724 -5.736 258 HD21 ASN 35 1HD2 ASN 35 -9.515 -10.605 -6.501 259 HD22 ASN 35 2HD2 ASN 35 -8.663 -10.671 -8.042 260 H ILE 36 H ILE 36 -10.155 -6.970 -9.374 261 HA ILE 36 HA ILE 36 -12.741 -8.171 -10.218 262 HB ILE 36 HB ILE 36 -12.359 -5.763 -10.746 263 HG12 ILE 36 1HG1 ILE 36 -12.554 -7.479 -13.234 264 HG13 ILE 36 2HG1 ILE 36 -13.848 -7.305 -12.041 265 HG21 ILE 36 1HG2 ILE 36 -9.885 -5.883 -11.168 266 HG22 ILE 36 2HG2 ILE 36 -10.218 -6.739 -12.688 267 HG23 ILE 36 3HG2 ILE 36 -10.770 -5.072 -12.453 268 HD11 ILE 36 3HD1 ILE 36 -12.664 -5.076 -13.752 269 HD12 ILE 36 1HD1 ILE 36 -14.268 -5.807 -13.899 270 HD13 ILE 36 2HD1 ILE 36 -13.874 -4.839 -12.466 271 H LEU 37 H LEU 37 -9.428 -8.812 -9.985 272 HA LEU 37 HA LEU 37 -9.286 -10.523 -12.417 273 HB2 LEU 37 1HB LEU 37 -7.094 -9.531 -10.557 274 HB3 LEU 37 2HB LEU 37 -6.857 -10.469 -12.022 275 HG LEU 37 HG LEU 37 -7.944 -7.623 -11.878 276 HD11 LEU 37 1HD1 LEU 37 -5.541 -7.831 -11.385 277 HD12 LEU 37 2HD1 LEU 37 -5.815 -7.032 -12.942 278 HD13 LEU 37 3HD1 LEU 37 -5.298 -8.735 -12.898 279 HD21 LEU 37 3HD2 LEU 37 -7.701 -7.641 -14.353 280 HD22 LEU 37 1HD2 LEU 37 -8.927 -8.789 -13.809 281 HD23 LEU 37 2HD2 LEU 37 -7.322 -9.378 -14.298 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 25.731 -1.074 -3.372 2 H2 GLY 1 2H GLY 1 25.291 0.242 -4.243 3 H3 GLY 1 3H GLY 1 24.416 -1.140 -4.346 4 HA2 GLY 1 1HA GLY 1 24.675 0.557 -1.945 5 HA3 GLY 1 2HA GLY 1 23.247 0.468 -2.994 6 H SER 2 H SER 2 22.083 -0.114 -1.025 7 HA SER 2 HA SER 2 22.606 -2.464 0.499 8 HB2 SER 2 1HB SER 2 19.968 -1.014 0.071 9 HB3 SER 2 2HB SER 2 20.343 -2.152 1.378 10 HG SER 2 HG SER 2 20.605 0.045 2.026 11 H SER 3 H SER 3 21.643 -4.501 0.545 12 HA SER 3 HA SER 3 20.793 -5.585 -2.055 13 HB2 SER 3 1HB SER 3 22.458 -6.732 -0.602 14 HB3 SER 3 2HB SER 3 21.174 -7.023 0.589 15 HG SER 3 HG SER 3 21.481 -8.790 -0.878 16 H GLY 4 H GLY 4 18.839 -6.515 -2.536 17 HA2 GLY 4 1HA GLY 4 16.581 -6.962 -2.487 18 HA3 GLY 4 2HA GLY 4 16.704 -7.057 -0.735 19 H SER 5 H SER 5 14.496 -6.226 -0.946 20 HA SER 5 HA SER 5 14.223 -3.305 -1.445 21 HB2 SER 5 1HB SER 5 12.089 -5.428 -1.098 22 HB3 SER 5 2HB SER 5 11.826 -3.729 -1.539 23 HG SER 5 HG SER 5 11.866 -5.118 -3.378 24 H SER 6 H SER 6 15.199 -4.851 1.170 25 HA SER 6 HA SER 6 13.378 -4.465 3.242 26 HB2 SER 6 1HB SER 6 16.407 -4.230 3.375 27 HB3 SER 6 2HB SER 6 15.316 -4.529 4.744 28 HG SER 6 HG SER 6 16.216 -6.476 3.901 29 H GLY 7 H GLY 7 12.517 -2.769 4.232 30 HA2 GLY 7 1HA GLY 7 12.247 -0.680 5.166 31 HA3 GLY 7 2HA GLY 7 13.909 -0.270 4.749 32 H HIS 8 H HIS 8 12.438 -1.239 1.862 33 HA HIS 8 HA HIS 8 12.039 1.541 0.985 34 HB2 HIS 8 1HB HIS 8 13.242 -0.254 -0.356 35 HB3 HIS 8 2HB HIS 8 11.666 -1.003 -0.622 36 HD1 HIS 8 1HD HIS 8 13.378 2.441 -1.275 37 HD2 HIS 8 2HD HIS 8 10.358 -0.115 -2.719 38 HE1 HIS 8 1HE HIS 8 12.494 3.515 -3.411 39 H LEU 9 H LEU 9 10.068 2.201 -0.180 40 HA LEU 9 HA LEU 9 7.665 1.316 1.295 41 HB2 LEU 9 1HB LEU 9 8.108 3.671 -0.559 42 HB3 LEU 9 2HB LEU 9 6.601 3.309 0.275 43 HG LEU 9 HG LEU 9 9.247 4.022 1.614 44 HD11 LEU 9 1HD1 LEU 9 8.079 6.082 2.255 45 HD12 LEU 9 2HD1 LEU 9 6.621 5.548 1.387 46 HD13 LEU 9 3HD1 LEU 9 8.114 5.909 0.493 47 HD21 LEU 9 3HD2 LEU 9 6.513 3.426 2.833 48 HD22 LEU 9 1HD2 LEU 9 7.870 4.179 3.702 49 HD23 LEU 9 2HD2 LEU 9 8.029 2.530 3.105 50 H TYR 10 H TYR 10 5.831 0.622 0.478 51 HA TYR 10 HA TYR 10 5.652 -0.271 -2.367 52 HB2 TYR 10 1HB TYR 10 4.436 -1.512 0.136 53 HB3 TYR 10 2HB TYR 10 4.173 -2.053 -1.514 54 HD1 TYR 10 1HD TYR 10 6.774 -1.718 1.154 55 HD2 TYR 10 2HD TYR 10 5.699 -3.531 -2.610 56 HE1 TYR 10 1HE TYR 10 8.718 -3.265 1.343 57 HE2 TYR 10 2HE TYR 10 7.627 -5.090 -2.410 58 HH TYR 10 HH TYR 10 9.392 -5.774 -1.131 59 H TYR 11 H TYR 11 3.762 0.315 -3.449 60 HA TYR 11 HA TYR 11 2.049 2.340 -2.057 61 HB2 TYR 11 1HB TYR 11 3.076 2.292 -4.910 62 HB3 TYR 11 2HB TYR 11 1.981 3.487 -4.237 63 HD1 TYR 11 1HD TYR 11 5.476 2.189 -4.121 64 HD2 TYR 11 2HD TYR 11 2.770 5.310 -2.869 65 HE1 TYR 11 1HE TYR 11 7.409 3.557 -3.369 66 HE2 TYR 11 2HE TYR 11 4.714 6.685 -2.121 67 HH TYR 11 HH TYR 11 8.096 5.557 -2.482 68 H CYS 12 H CYS 12 -0.101 2.474 -2.460 69 HA CYS 12 HA CYS 12 -1.537 0.133 -3.212 70 HB2 CYS 12 1HB CYS 12 -2.232 1.817 -1.560 71 HB3 CYS 12 2HB CYS 12 -2.435 3.011 -2.853 72 H SER 13 H SER 13 -3.014 -0.201 -4.865 73 HA SER 13 HA SER 13 -2.181 0.761 -7.538 74 HB2 SER 13 1HB SER 13 -3.576 -1.098 -8.359 75 HB3 SER 13 2HB SER 13 -2.328 -1.632 -7.221 76 HG SER 13 HG SER 13 -4.362 -2.582 -6.758 77 H GLN 14 H GLN 14 -4.630 1.498 -5.246 78 HA GLN 14 HA GLN 14 -6.347 2.741 -7.381 79 HB2 GLN 14 1HB GLN 14 -7.225 1.325 -4.843 80 HB3 GLN 14 2HB GLN 14 -8.283 2.244 -5.922 81 HG2 GLN 14 1HG GLN 14 -7.601 0.681 -7.801 82 HG3 GLN 14 2HG GLN 14 -6.753 -0.297 -6.599 83 HE21 GLN 14 1HE2 GLN 14 -8.277 -2.020 -7.434 84 HE22 GLN 14 2HE2 GLN 14 -9.884 -2.078 -6.720 85 H CYS 15 H CYS 15 -4.576 3.454 -4.496 86 HA CYS 15 HA CYS 15 -5.601 6.205 -4.596 87 HB2 CYS 15 1HB CYS 15 -6.199 6.375 -2.303 88 HB3 CYS 15 2HB CYS 15 -7.081 5.021 -2.985 89 H HIS 16 H HIS 16 -4.378 7.370 -2.547 90 HA HIS 16 HA HIS 16 -1.604 7.404 -3.469 91 HB2 HIS 16 1HB HIS 16 -3.267 9.377 -3.034 92 HB3 HIS 16 2HB HIS 16 -2.774 9.218 -1.354 93 HD1 HIS 16 1HD HIS 16 0.328 8.977 -1.608 94 HD2 HIS 16 2HD HIS 16 -2.089 11.433 -4.013 95 HE1 HIS 16 1HE HIS 16 1.859 10.829 -2.507 96 H TYR 17 H TYR 17 -3.038 5.522 -1.129 97 HA TYR 17 HA TYR 17 -1.363 5.831 1.150 98 HB2 TYR 17 1HB TYR 17 -3.494 4.662 1.204 99 HB3 TYR 17 2HB TYR 17 -2.886 3.435 0.097 100 HD1 TYR 17 1HD TYR 17 -2.712 4.722 3.574 101 HD2 TYR 17 2HD TYR 17 -1.447 1.636 0.839 102 HE1 TYR 17 1HE TYR 17 -1.924 3.342 5.492 103 HE2 TYR 17 2HE TYR 17 -0.648 0.262 2.763 104 HH TYR 17 HH TYR 17 -0.951 1.376 6.152 105 H SER 18 H SER 18 0.420 4.763 1.913 106 HA SER 18 HA SER 18 1.740 2.699 0.325 107 HB2 SER 18 1HB SER 18 3.943 3.758 0.381 108 HB3 SER 18 2HB SER 18 2.781 4.749 -0.516 109 HG SER 18 HG SER 18 3.998 6.047 0.892 110 H SER 19 H SER 19 3.338 1.507 1.476 111 HA SER 19 HA SER 19 3.546 1.886 4.406 112 HB2 SER 19 1HB SER 19 1.555 0.371 3.936 113 HB3 SER 19 2HB SER 19 2.702 -0.790 3.239 114 HG SER 19 HG SER 19 2.446 0.138 5.907 115 H ILE 20 H ILE 20 5.208 0.444 5.367 116 HA ILE 20 HA ILE 20 7.548 0.345 3.599 117 HB ILE 20 HB ILE 20 7.488 1.396 5.873 118 HG12 ILE 20 1HG1 ILE 20 9.710 -0.648 5.529 119 HG13 ILE 20 2HG1 ILE 20 9.559 0.833 4.577 120 HG21 ILE 20 1HG2 ILE 20 7.731 0.049 7.866 121 HG22 ILE 20 2HG2 ILE 20 6.272 -0.484 7.032 122 HG23 ILE 20 3HG2 ILE 20 7.758 -1.452 6.923 123 HD11 ILE 20 3HD1 ILE 20 9.945 0.669 7.594 124 HD12 ILE 20 1HD1 ILE 20 11.124 1.201 6.385 125 HD13 ILE 20 2HD1 ILE 20 9.672 2.175 6.682 126 H THR 21 H THR 21 5.172 -1.888 4.158 127 HA THR 21 HA THR 21 6.906 -3.955 2.972 128 HB THR 21 HB THR 21 6.083 -5.787 4.238 129 HG1 THR 21 1HG THR 21 4.782 -4.069 6.026 130 HG21 THR 21 3HG2 THR 21 8.055 -4.702 5.247 131 HG22 THR 21 1HG2 THR 21 7.014 -5.488 6.448 132 HG23 THR 21 2HG2 THR 21 6.985 -3.721 6.276 133 H LYS 22 H LYS 22 5.868 -5.375 1.580 134 HA LYS 22 HA LYS 22 3.291 -4.675 0.493 135 HB2 LYS 22 1HB LYS 22 3.504 -6.699 -0.838 136 HB3 LYS 22 2HB LYS 22 4.980 -5.745 -0.869 137 HG2 LYS 22 1HG LYS 22 6.020 -7.300 0.790 138 HG3 LYS 22 2HG LYS 22 4.533 -8.271 0.788 139 HD2 LYS 22 1HD LYS 22 4.819 -8.699 -1.640 140 HD3 LYS 22 2HD LYS 22 6.304 -7.722 -1.637 141 HE2 LYS 22 1HE LYS 22 7.318 -9.274 0.019 142 HE3 LYS 22 2HE LYS 22 5.840 -10.244 0.023 143 HZ1 LYS 22 3HZ LYS 22 7.586 -9.815 -2.346 144 HZ2 LYS 22 1HZ LYS 22 6.219 -10.712 -2.342 145 HZ3 LYS 22 2HZ LYS 22 7.510 -11.186 -1.466 146 H ASN 23 H ASN 23 4.214 -6.700 3.166 147 HA ASN 23 HA ASN 23 1.829 -8.284 3.376 148 HB2 ASN 23 1HB ASN 23 4.088 -8.774 4.387 149 HB3 ASN 23 2HB ASN 23 3.839 -7.450 5.527 150 HD21 ASN 23 1HD2 ASN 23 2.695 -10.680 4.543 151 HD22 ASN 23 2HD2 ASN 23 1.897 -11.010 6.070 152 H CYS 24 H CYS 24 2.784 -5.176 4.963 153 HA CYS 24 HA CYS 24 0.194 -4.765 6.210 154 HB2 CYS 24 1HB CYS 24 2.541 -2.940 5.570 155 HB3 CYS 24 2HB CYS 24 1.087 -2.395 6.424 156 HG CYS 24 HG CYS 24 3.024 -2.800 8.150 157 H LEU 25 H LEU 25 1.599 -3.627 3.075 158 HA LEU 25 HA LEU 25 -0.588 -2.099 2.291 159 HB2 LEU 25 1HB LEU 25 1.603 -2.117 1.160 160 HB3 LEU 25 2HB LEU 25 1.288 -3.755 0.578 161 HG LEU 25 HG LEU 25 -0.619 -2.936 -0.775 162 HD11 LEU 25 1HD1 LEU 25 -0.886 -0.493 -1.133 163 HD12 LEU 25 2HD1 LEU 25 0.262 -0.175 0.186 164 HD13 LEU 25 3HD1 LEU 25 -1.309 -0.954 0.510 165 HD21 LEU 25 3HD2 LEU 25 1.916 -1.347 -1.266 166 HD22 LEU 25 1HD2 LEU 25 0.689 -1.816 -2.463 167 HD23 LEU 25 2HD2 LEU 25 1.688 -3.059 -1.702 168 H LYS 26 H LYS 26 -0.142 -5.650 1.910 169 HA LYS 26 HA LYS 26 -2.499 -6.188 0.437 170 HB2 LYS 26 1HB LYS 26 -0.639 -7.790 0.926 171 HB3 LYS 26 2HB LYS 26 -1.233 -7.940 2.589 172 HG2 LYS 26 1HG LYS 26 -3.392 -8.821 1.732 173 HG3 LYS 26 2HG LYS 26 -2.846 -8.566 0.071 174 HD2 LYS 26 1HD LYS 26 -2.649 -10.900 0.593 175 HD3 LYS 26 2HD LYS 26 -1.019 -10.229 0.435 176 HE2 LYS 26 1HE LYS 26 -0.819 -10.105 2.904 177 HE3 LYS 26 2HE LYS 26 -2.481 -10.687 3.080 178 HZ1 LYS 26 3HZ LYS 26 -0.878 -12.496 3.344 179 HZ2 LYS 26 1HZ LYS 26 -0.260 -12.242 1.855 180 HZ3 LYS 26 2HZ LYS 26 -1.796 -12.774 2.025 181 H ARG 27 H ARG 27 -2.160 -5.830 3.992 182 HA ARG 27 HA ARG 27 -4.968 -6.324 4.546 183 HB2 ARG 27 1HB ARG 27 -2.749 -4.982 6.142 184 HB3 ARG 27 2HB ARG 27 -4.414 -5.079 6.726 185 HG2 ARG 27 1HG ARG 27 -4.389 -7.537 6.499 186 HG3 ARG 27 2HG ARG 27 -2.704 -7.485 5.964 187 HD2 ARG 27 1HD ARG 27 -3.690 -6.396 8.644 188 HD3 ARG 27 2HD ARG 27 -3.106 -8.039 8.431 189 HE ARG 27 HE ARG 27 -1.501 -5.606 8.584 190 HH11 ARG 27 2HH1 ARG 27 -1.416 -8.948 7.466 191 HH12 ARG 27 1HH1 ARG 27 0.340 -8.940 7.440 192 HH21 ARG 27 2HH2 ARG 27 0.770 -5.784 8.540 193 HH22 ARG 27 1HH2 ARG 27 1.463 -7.298 8.002 194 H HIS 28 H HIS 28 -3.251 -3.299 3.700 195 HA HIS 28 HA HIS 28 -5.563 -1.596 4.021 196 HB2 HIS 28 1HB HIS 28 -3.444 -0.550 3.770 197 HB3 HIS 28 2HB HIS 28 -3.079 -1.410 2.286 198 HD1 HIS 28 1HD HIS 28 -5.030 1.620 3.500 199 HD2 HIS 28 2HD HIS 28 -4.191 -0.532 -0.013 200 HE1 HIS 28 1HE HIS 28 -5.811 3.091 1.589 201 H VAL 29 H VAL 29 -4.376 -3.454 1.163 202 HA VAL 29 HA VAL 29 -6.529 -2.674 -0.555 203 HB VAL 29 HB VAL 29 -4.702 -5.099 -0.669 204 HG11 VAL 29 1HG1 VAL 29 -6.513 -3.925 -2.820 205 HG12 VAL 29 2HG1 VAL 29 -5.281 -5.175 -3.082 206 HG13 VAL 29 3HG1 VAL 29 -6.682 -5.532 -2.072 207 HG21 VAL 29 3HG2 VAL 29 -4.632 -2.436 -2.174 208 HG22 VAL 29 1HG2 VAL 29 -3.544 -2.877 -0.848 209 HG23 VAL 29 2HG2 VAL 29 -3.487 -3.780 -2.359 210 H ILE 30 H ILE 30 -6.264 -5.509 1.622 211 HA ILE 30 HA ILE 30 -8.777 -6.689 0.955 212 HB ILE 30 HB ILE 30 -7.099 -6.760 3.474 213 HG12 ILE 30 1HG1 ILE 30 -7.633 -8.929 1.393 214 HG13 ILE 30 2HG1 ILE 30 -6.288 -7.817 1.250 215 HG21 ILE 30 1HG2 ILE 30 -8.476 -8.709 4.203 216 HG22 ILE 30 2HG2 ILE 30 -9.437 -7.248 4.149 217 HG23 ILE 30 3HG2 ILE 30 -9.575 -8.437 2.837 218 HD11 ILE 30 3HD1 ILE 30 -5.392 -8.607 3.444 219 HD12 ILE 30 1HD1 ILE 30 -6.691 -9.825 3.505 220 HD13 ILE 30 2HD1 ILE 30 -5.494 -9.880 2.209 221 H GLN 31 H GLN 31 -8.022 -4.165 3.403 222 HA GLN 31 HA GLN 31 -10.780 -4.064 4.342 223 HB2 GLN 31 1HB GLN 31 -8.182 -2.711 4.988 224 HB3 GLN 31 2HB GLN 31 -9.637 -1.822 5.368 225 HG2 GLN 31 1HG GLN 31 -8.763 -3.192 7.258 226 HG3 GLN 31 2HG GLN 31 -10.459 -3.439 6.857 227 HE21 GLN 31 1HE2 GLN 31 -7.285 -4.932 5.807 228 HE22 GLN 31 2HE2 GLN 31 -7.879 -6.568 6.086 229 H LYS 32 H LYS 32 -8.911 -2.053 2.064 230 HA LYS 32 HA LYS 32 -11.187 -0.128 1.910 231 HB2 LYS 32 1HB LYS 32 -8.303 0.141 0.988 232 HB3 LYS 32 2HB LYS 32 -9.509 1.414 0.985 233 HG2 LYS 32 1HG LYS 32 -8.284 0.057 3.422 234 HG3 LYS 32 2HG LYS 32 -8.006 1.698 2.865 235 HD2 LYS 32 1HD LYS 32 -10.609 0.611 4.021 236 HD3 LYS 32 2HD LYS 32 -9.451 1.672 4.823 237 HE2 LYS 32 1HE LYS 32 -9.860 3.430 3.106 238 HE3 LYS 32 2HE LYS 32 -11.049 2.383 2.320 239 HZ1 LYS 32 3HZ LYS 32 -12.363 2.442 4.376 240 HZ2 LYS 32 1HZ LYS 32 -12.121 3.957 3.822 241 HZ3 LYS 32 2HZ LYS 32 -11.265 3.414 5.100 242 H HIS 33 H HIS 33 -9.628 -2.446 -0.214 243 HA HIS 33 HA HIS 33 -11.121 -1.240 -2.530 244 HB2 HIS 33 1HB HIS 33 -8.326 -2.414 -2.484 245 HB3 HIS 33 2HB HIS 33 -9.157 -1.781 -3.900 246 HD1 HIS 33 1HD HIS 33 -10.078 1.005 -3.228 247 HD2 HIS 33 2HD HIS 33 -6.622 -0.705 -1.573 248 HE1 HIS 33 1HE HIS 33 -8.696 2.953 -2.357 249 H SER 34 H SER 34 -10.453 -4.252 -0.892 250 HA SER 34 HA SER 34 -11.262 -5.928 -3.155 251 HB2 SER 34 1HB SER 34 -10.873 -6.625 -0.228 252 HB3 SER 34 2HB SER 34 -11.132 -7.778 -1.549 253 HG SER 34 HG SER 34 -8.990 -5.906 -1.356 254 H ASN 35 H ASN 35 -13.137 -7.173 -3.351 255 HA ASN 35 HA ASN 35 -15.421 -6.725 -1.549 256 HB2 ASN 35 1HB ASN 35 -16.904 -5.945 -3.330 257 HB3 ASN 35 2HB ASN 35 -15.559 -4.834 -3.132 258 HD21 ASN 35 1HD2 ASN 35 -16.987 -7.313 -5.297 259 HD22 ASN 35 2HD2 ASN 35 -16.012 -6.820 -6.676 260 H ILE 36 H ILE 36 -17.231 -8.102 -1.970 261 HA ILE 36 HA ILE 36 -16.574 -10.747 -3.057 262 HB ILE 36 HB ILE 36 -18.645 -11.497 -2.240 263 HG12 ILE 36 1HG1 ILE 36 -20.210 -9.759 -2.784 264 HG13 ILE 36 2HG1 ILE 36 -20.331 -10.208 -1.098 265 HG21 ILE 36 1HG2 ILE 36 -18.405 -11.131 0.146 266 HG22 ILE 36 2HG2 ILE 36 -16.824 -11.294 -0.631 267 HG23 ILE 36 3HG2 ILE 36 -17.402 -9.696 -0.129 268 HD11 ILE 36 3HD1 ILE 36 -20.620 -7.830 -1.300 269 HD12 ILE 36 1HD1 ILE 36 -19.082 -8.115 -0.474 270 HD13 ILE 36 2HD1 ILE 36 -19.111 -7.643 -2.196 271 H LEU 37 H LEU 37 -18.123 -11.844 -4.519 272 HA LEU 37 HA LEU 37 -19.190 -10.086 -6.690 273 HB2 LEU 37 1HB LEU 37 -17.684 -12.719 -6.963 274 HB3 LEU 37 2HB LEU 37 -18.460 -11.859 -8.283 275 HG LEU 37 HG LEU 37 -16.102 -10.802 -6.658 276 HD11 LEU 37 1HD1 LEU 37 -16.259 -11.917 -9.490 277 HD12 LEU 37 2HD1 LEU 37 -15.531 -12.729 -8.086 278 HD13 LEU 37 3HD1 LEU 37 -14.816 -11.232 -8.706 279 HD21 LEU 37 3HD2 LEU 37 -15.951 -9.097 -8.455 280 HD22 LEU 37 1HD2 LEU 37 -17.468 -8.956 -7.560 281 HD23 LEU 37 2HD2 LEU 37 -17.459 -9.713 -9.167
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